- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ able=10.0 structure=0.75 smooth=1.0 volume=0.01 rsupport=1.0 tsupport=1.5 q uality=0.2 violation=0.0 Peak 2 (9.32, 0.59, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.0802, support = 4.51, residual support = 52.8: HN ILE 29 - QD1 LEU 23 50.000% * 63.7877% (0.11 3.42 14.52) = 63.788% kept * HN LEU 23 - QD1 LEU 23 50.000% * 36.2123% (0.03 6.44 120.20) = 36.212% kept Peak 3 (9.05, 1.10, 22.32 ppm): 4 chemical-shift based assignments, quality = 0.3, support = 3.47, residual support = 22.5: * HN THR 79 - QG2 THR 79 25.000% * 80.9263% (0.32 4.13 27.82) = 80.926% kept HN GLY 30 - QG2 THR 79 25.000% * 11.9274% (0.27 0.72 0.20) = 11.927% kept HN LYS+ 66 - QG2 THR 79 25.000% * 6.8439% (0.18 0.61 0.02) = 6.844% kept HN GLU- 54 - QG2 THR 79 25.000% * 0.3024% (0.24 0.02 0.02) = 0.302% Peak 4 (8.81, -0.03, 22.36 ppm): 4 chemical-shift based assignments, quality = 0.729, support = 2.07, residual support = 8.58: HN LYS+ 60 - QD1 LEU 74 25.000% * 40.2988% (0.76 2.07 1.30) = 40.299% kept HN LYS+ 32 - QD1 LEU 74 25.000% * 22.6436% (0.94 0.94 0.57) = 22.644% kept * HN SER 69 - QD1 LEU 74 25.000% * 18.7142% (0.15 4.76 42.02) = 18.714% kept HN ASN 57 - QD1 LEU 74 25.000% * 18.3434% (0.99 0.73 0.34) = 18.343% kept Peak 5 (8.60, 1.38, 22.40 ppm): 4 chemical-shift based assignments, quality = 0.607, support = 2.56, residual support = 2.73: * HN THR 39 - QG2 THR 39 25.000% * 38.3844% (0.56 3.05 5.79) = 38.384% kept HN VAL 80 - QG2 THR 39 25.000% * 37.2764% (0.52 3.19 1.10) = 37.276% kept HN LYS+ 20 - QG2 THR 39 25.000% * 17.0114% (0.99 0.77 0.50) = 17.011% kept HN VAL 73 - QG2 THR 39 25.000% * 7.3278% (0.37 0.88 0.18) = 7.328% kept Peak 6 (8.47, -0.03, 22.34 ppm): 6 chemical-shift based assignments, quality = 0.696, support = 4.2, residual support = 93.2: * HN LEU 74 - QD1 LEU 74 16.667% * 58.4998% (0.53 6.48 158.96) = 58.500% kept HN GLU- 107 - QD1 LEU 74 16.667% * 20.9860% (0.98 1.25 0.72) = 20.986% kept HN GLY 92 - QD1 LEU 74 16.667% * 14.0992% (0.98 0.84 0.25) = 14.099% kept HN LYS+ 113 - QD1 LEU 74 16.667% * 6.0656% (0.73 0.49 0.02) = 6.066% kept HN GLU- 18 - QD1 LEU 74 16.667% * 0.2082% (0.61 0.02 0.02) = 0.208% HN GLU- 10 - QD1 LEU 74 16.667% * 0.1411% (0.41 0.02 0.02) = 0.141% Peak 7 (7.34, 4.28, 63.84 ppm): 7 chemical-shift based assignments, quality = 0.219, support = 1.17, residual support = 9.48: HZ2 TRP 51 - HA VAL 122 14.286% * 73.5011% (0.26 1.28 12.43) = 73.501% kept HN ARG+ 84 - HA VAL 122 14.286% * 22.8147% (0.10 0.98 1.53) = 22.815% kept HZ PHE 34 - HA VAL 122 14.286% * 1.1464% (0.26 0.02 0.02) = 1.146% kept QE PHE 34 - HA VAL 122 14.286% * 1.1464% (0.26 0.02 0.02) = 1.146% kept QD PHE 34 - HA VAL 122 14.286% * 0.6045% (0.14 0.02 0.02) = 0.604% HN VAL 47 - HA VAL 122 14.286% * 0.5105% (0.11 0.02 0.02) = 0.511% HE22 GLN 102 - HA VAL 122 14.286% * 0.2765% (0.06 0.02 0.02) = 0.276% Peak 8 (7.33, 0.11, 22.44 ppm): 6 chemical-shift based assignments, quality = 0.815, support = 3.02, residual support = 31.9: * HN VAL 47 - QG2 VAL 47 16.667% * 37.2242% (0.67 4.94 78.85) = 37.224% kept QE PHE 34 - QG2 VAL 47 16.667% * 23.3974% (0.97 2.14 4.08) = 23.397% kept QD PHE 34 - QG2 VAL 47 16.667% * 19.9598% (0.75 2.38 4.08) = 19.960% kept HZ PHE 34 - QG2 VAL 47 16.667% * 13.8259% (0.97 1.26 4.08) = 13.826% kept HZ2 TRP 51 - QG2 VAL 47 16.667% * 5.4507% (0.97 0.50 4.00) = 5.451% kept HN ARG+ 84 - QG2 VAL 47 16.667% * 0.1418% (0.63 0.02 0.02) = 0.142% Peak 9 (7.21, 0.58, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.215, support = 3.66, residual support = 31.3: * HH2 TRP 51 - QD1 LEU 23 50.000% * 64.4117% (0.21 4.46 31.30) = 64.412% kept HN TRP 51 - QD1 LEU 23 50.000% * 35.5883% (0.23 2.21 31.30) = 35.588% kept Peak 10 (7.07, -0.03, 22.30 ppm): 2 chemical-shift based assignments, quality = 0.781, support = 2.48, residual support = 22.0: * T QD TYR 83 - QD1 LEU 74 50.000% * 99.9689% (0.78 10.00 2.48 21.96) = 99.969% kept QE PHE 21 - QD1 LEU 74 50.000% * 0.0311% (0.24 1.00 0.02 0.02) = 0.031% Peak 11 (7.02, 0.11, 22.43 ppm): 1 chemical-shift based assignment, quality = 0.515, support = 1.77, residual support = 12.4: * T QE PHE 21 - QG2 VAL 47 100.000% *100.0000% (0.52 10.00 1.77 12.42) = 100.000% kept Peak 12 (6.90, 0.11, 22.43 ppm): 3 chemical-shift based assignments, quality = 0.639, support = 2.13, residual support = 9.1: * QD PHE 21 - QG2 VAL 47 33.333% * 72.9577% (0.59 2.75 12.42) = 72.958% kept HD22 ASN 15 - QG2 VAL 47 33.333% * 17.6946% (0.95 0.42 0.11) = 17.695% kept HD21 ASN 119 - QG2 VAL 47 33.333% * 9.3477% (0.40 0.52 0.21) = 9.348% kept Peak 13 (6.73, 0.58, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.163, support = 3.45, residual support = 30.5: * T HZ3 TRP 51 - QD1 LEU 23 50.000% * 97.6073% (0.16 10.00 3.53 31.30) = 97.607% kept QE TYR 83 - QD1 LEU 23 50.000% * 2.3927% (0.23 1.00 0.34 0.02) = 2.393% kept Peak 14 (4.84, 4.05, 63.83 ppm): 8 chemical-shift based assignments, quality = 0.398, support = 1.11, residual support = 1.58: HB THR 39 - HB3 SER 85 12.500% * 33.5301% (0.33 1.47 2.34) = 33.530% kept HA THR 96 - HB3 SER 85 12.500% * 29.4990% (0.62 0.68 0.51) = 29.499% kept HA GLU- 18 - HB3 SER 85 12.500% * 28.8007% (0.29 1.39 2.22) = 28.801% kept HA ASP- 115 - HB3 SER 85 12.500% * 6.1624% (0.36 0.24 0.02) = 6.162% kept HA THR 96 - HA VAL 125 12.500% * 0.7768% (0.55 0.02 0.02) = 0.777% HA ASP- 115 - HA VAL 125 12.500% * 0.4507% (0.32 0.02 0.02) = 0.451% HB THR 39 - HA VAL 125 12.500% * 0.4096% (0.29 0.02 0.02) = 0.410% HA GLU- 18 - HA VAL 125 12.500% * 0.3706% (0.26 0.02 0.02) = 0.371% Peak 15 (4.83, 3.86, 63.83 ppm): 20 chemical-shift based assignments, quality = 0.491, support = 1.23, residual support = 1.86: HB THR 39 - HB2 SER 85 5.000% * 40.5831% (0.56 1.42 2.34) = 40.583% kept HA GLU- 18 - HB2 SER 85 5.000% * 37.6952% (0.52 1.42 2.22) = 37.695% kept HA THR 96 - HB2 SER 85 5.000% * 14.6720% (0.41 0.71 0.51) = 14.672% kept HA ASP- 115 - HB2 SER 85 5.000% * 2.9827% (0.20 0.30 0.02) = 2.983% kept HA LEU 23 - HB3 SER 88 5.000% * 1.3058% (0.04 0.73 0.14) = 1.306% kept HB THR 39 - HB3 SER 27 5.000% * 0.5579% (0.55 0.02 0.02) = 0.558% HA GLU- 18 - HB3 SER 27 5.000% * 0.5185% (0.51 0.02 0.02) = 0.518% HA THR 96 - HB3 SER 27 5.000% * 0.4051% (0.40 0.02 0.02) = 0.405% HA ASP- 115 - HB3 SER 27 5.000% * 0.1950% (0.19 0.02 0.02) = 0.195% HA LEU 23 - HB2 SER 85 5.000% * 0.1768% (0.17 0.02 0.02) = 0.177% HA LEU 23 - HB3 SER 27 5.000% * 0.1726% (0.17 0.02 0.37) = 0.173% HB THR 39 - HB3 SER 77 5.000% * 0.1169% (0.11 0.02 0.02) = 0.117% HB THR 39 - HB3 SER 88 5.000% * 0.1157% (0.11 0.02 0.02) = 0.116% HA GLU- 18 - HB3 SER 77 5.000% * 0.1086% (0.11 0.02 0.02) = 0.109% HA GLU- 18 - HB3 SER 88 5.000% * 0.1075% (0.11 0.02 0.02) = 0.108% HA THR 96 - HB3 SER 77 5.000% * 0.0849% (0.08 0.02 0.02) = 0.085% HA THR 96 - HB3 SER 88 5.000% * 0.0840% (0.08 0.02 0.02) = 0.084% HA ASP- 115 - HB3 SER 77 5.000% * 0.0409% (0.04 0.02 0.02) = 0.041% HA ASP- 115 - HB3 SER 88 5.000% * 0.0405% (0.04 0.02 0.02) = 0.040% HA LEU 23 - HB3 SER 77 5.000% * 0.0362% (0.04 0.02 0.02) = 0.036% Peak 16 (4.79, 1.38, 22.41 ppm): 4 chemical-shift based assignments, quality = 0.297, support = 0.966, residual support = 4.66: * O HB THR 39 - QG2 THR 39 25.000% * 80.0757% (0.15 10.0 1.10 5.79) = 80.076% kept HA ASN 15 - QG2 THR 39 25.000% * 19.2624% (0.91 1.0 0.44 0.13) = 19.262% kept HA LEU 23 - QG2 THR 39 25.000% * 0.4966% (0.52 1.0 0.02 0.02) = 0.497% HA GLU- 18 - QG2 THR 39 25.000% * 0.1653% (0.17 1.0 0.02 0.02) = 0.165% Peak 17 (4.80, 0.58, 22.43 ppm): 4 chemical-shift based assignments, quality = 0.183, support = 5.07, residual support = 118.8: * HA LEU 23 - QD1 LEU 23 25.000% * 98.8443% (0.19 5.13 120.20) = 98.844% kept HB THR 39 - QD1 LEU 23 25.000% * 0.6870% (0.09 0.08 0.02) = 0.687% HA ASN 15 - QD1 LEU 23 25.000% * 0.2695% (0.13 0.02 0.02) = 0.269% HA GLU- 18 - QD1 LEU 23 25.000% * 0.1992% (0.10 0.02 0.02) = 0.199% Peak 19 (4.52, 1.38, 22.37 ppm): 14 chemical-shift based assignments, quality = 0.339, support = 1.96, residual support = 14.7: HB THR 79 - QG2 THR 39 7.143% * 76.7043% (0.37 2.30 16.04) = 76.704% kept * HB THR 79 - HG2 LYS+ 78 7.143% * 9.2870% (0.06 1.68 22.64) = 9.287% kept HA LEU 17 - QG2 THR 39 7.143% * 3.4604% (0.28 0.14 0.02) = 3.460% kept HA SER 77 - QG2 THR 39 7.143% * 3.1502% (0.13 0.26 0.02) = 3.150% kept HA SER 77 - HG2 LYS+ 78 7.143% * 2.2709% (0.02 1.14 14.12) = 2.271% kept HB THR 46 - QG2 THR 39 7.143% * 1.6434% (0.92 0.02 0.02) = 1.643% kept HA ALA 103 - QG2 THR 39 7.143% * 1.2928% (0.72 0.02 0.02) = 1.293% kept HA LYS+ 55 - QG2 THR 39 7.143% * 1.1517% (0.64 0.02 0.02) = 1.152% kept HB THR 46 - HG2 LYS+ 78 7.143% * 0.2720% (0.15 0.02 0.02) = 0.272% HA CYS 123 - QG2 THR 39 7.143% * 0.2409% (0.13 0.02 0.02) = 0.241% HA ALA 103 - HG2 LYS+ 78 7.143% * 0.2140% (0.12 0.02 0.02) = 0.214% HA LYS+ 55 - HG2 LYS+ 78 7.143% * 0.1906% (0.11 0.02 0.02) = 0.191% HA LEU 17 - HG2 LYS+ 78 7.143% * 0.0819% (0.05 0.02 0.02) = 0.082% HA CYS 123 - HG2 LYS+ 78 7.143% * 0.0399% (0.02 0.02 0.02) = 0.040% Peak 20 (4.44, 1.54, 22.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HB THR 24 - QG2 THR 24 Peak unassigned. Peak 21 (4.38, 3.90, 63.86 ppm): 60 chemical-shift based assignments, quality = 0.343, support = 1.88, residual support = 6.38: * O T HA SER 27 - HB3 SER 27 1.667% * 80.4523% (0.40 10.0 10.00 2.00 5.99) = 80.452% kept O T HA SER 88 - HB3 SER 88 1.667% * 8.9676% (0.04 10.0 10.00 1.72 12.96) = 8.968% kept HA2 GLY 26 - HB3 SER 27 1.667% * 5.7790% (0.27 1.0 1.00 2.09 6.98) = 5.779% kept T HA SER 88 - HB2 SER 85 1.667% * 1.6122% (0.19 1.0 10.00 0.08 0.02) = 1.612% kept T HA SER 88 - HB3 SER 27 1.667% * 0.6456% (0.32 1.0 10.00 0.02 0.02) = 0.646% T HA SER 27 - HB3 SER 77 1.667% * 0.5573% (0.07 1.0 10.00 0.08 0.02) = 0.557% T HA SER 27 - HB2 SER 85 1.667% * 0.4740% (0.23 1.0 10.00 0.02 0.02) = 0.474% T HA SER 27 - HB3 SER 88 1.667% * 0.1117% (0.06 1.0 10.00 0.02 0.02) = 0.112% T HA SER 88 - HB3 SER 77 1.667% * 0.1063% (0.05 1.0 10.00 0.02 0.02) = 0.106% HA ALA 37 - HB3 SER 27 1.667% * 0.0806% (0.40 1.0 1.00 0.02 0.02) = 0.081% HA LYS+ 60 - HB3 SER 27 1.667% * 0.0790% (0.39 1.0 1.00 0.02 0.02) = 0.079% HA TRP 51 - HB3 SER 27 1.667% * 0.0778% (0.39 1.0 1.00 0.02 0.11) = 0.078% HA ALA 91 - HB3 SER 27 1.667% * 0.0723% (0.36 1.0 1.00 0.02 0.02) = 0.072% HB THR 61 - HB3 SER 27 1.667% * 0.0646% (0.32 1.0 1.00 0.02 0.02) = 0.065% HA ALA 37 - HB2 SER 85 1.667% * 0.0475% (0.24 1.0 1.00 0.02 0.02) = 0.048% HA LYS+ 60 - HB2 SER 85 1.667% * 0.0466% (0.23 1.0 1.00 0.02 0.02) = 0.047% HA TRP 51 - HB2 SER 85 1.667% * 0.0458% (0.23 1.0 1.00 0.02 0.02) = 0.046% HA ALA 91 - HB2 SER 85 1.667% * 0.0426% (0.21 1.0 1.00 0.02 0.02) = 0.043% HA ALA 37 - HB2 SER 77 1.667% * 0.0419% (0.21 1.0 1.00 0.02 0.02) = 0.042% HA SER 27 - HB2 SER 77 1.667% * 0.0418% (0.21 1.0 1.00 0.02 0.02) = 0.042% HA LYS+ 60 - HB2 SER 77 1.667% * 0.0411% (0.20 1.0 1.00 0.02 0.02) = 0.041% HA TRP 51 - HB2 SER 77 1.667% * 0.0405% (0.20 1.0 1.00 0.02 0.02) = 0.040% HB THR 61 - HB2 SER 85 1.667% * 0.0380% (0.19 1.0 1.00 0.02 0.02) = 0.038% HA ALA 91 - HB2 SER 77 1.667% * 0.0376% (0.19 1.0 1.00 0.02 0.02) = 0.038% HA SER 88 - HB2 SER 77 1.667% * 0.0336% (0.17 1.0 1.00 0.02 0.02) = 0.034% HB THR 61 - HB2 SER 77 1.667% * 0.0336% (0.17 1.0 1.00 0.02 0.02) = 0.034% HA ASN 57 - HB3 SER 27 1.667% * 0.0331% (0.16 1.0 1.00 0.02 0.02) = 0.033% HA2 GLY 26 - HB2 SER 85 1.667% * 0.0326% (0.16 1.0 1.00 0.02 0.02) = 0.033% HA THR 95 - HB3 SER 27 1.667% * 0.0303% (0.15 1.0 1.00 0.02 0.02) = 0.030% HA2 GLY 26 - HB2 SER 77 1.667% * 0.0288% (0.14 1.0 1.00 0.02 0.02) = 0.029% HA PRO 104 - HB3 SER 27 1.667% * 0.0224% (0.11 1.0 1.00 0.02 0.15) = 0.022% HA ASN 57 - HB2 SER 85 1.667% * 0.0195% (0.10 1.0 1.00 0.02 0.02) = 0.020% HA THR 95 - HB2 SER 85 1.667% * 0.0178% (0.09 1.0 1.00 0.02 0.02) = 0.018% HA ASN 57 - HB2 SER 77 1.667% * 0.0172% (0.09 1.0 1.00 0.02 0.02) = 0.017% HA THR 95 - HB2 SER 77 1.667% * 0.0157% (0.08 1.0 1.00 0.02 0.02) = 0.016% HA ALA 37 - HB3 SER 77 1.667% * 0.0133% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA PRO 104 - HB2 SER 85 1.667% * 0.0132% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA LYS+ 60 - HB3 SER 77 1.667% * 0.0130% (0.06 1.0 1.00 0.02 0.02) = 0.013% HA TRP 51 - HB3 SER 77 1.667% * 0.0128% (0.06 1.0 1.00 0.02 0.02) = 0.013% HA PRO 112 - HB3 SER 27 1.667% * 0.0124% (0.06 1.0 1.00 0.02 0.02) = 0.012% HA ALA 91 - HB3 SER 77 1.667% * 0.0119% (0.06 1.0 1.00 0.02 0.02) = 0.012% HA PRO 104 - HB2 SER 77 1.667% * 0.0117% (0.06 1.0 1.00 0.02 0.02) = 0.012% HA ALA 37 - HB3 SER 88 1.667% * 0.0112% (0.06 1.0 1.00 0.02 0.02) = 0.011% HA LYS+ 60 - HB3 SER 88 1.667% * 0.0110% (0.05 1.0 1.00 0.02 0.02) = 0.011% HA TRP 51 - HB3 SER 88 1.667% * 0.0108% (0.05 1.0 1.00 0.02 0.02) = 0.011% HB THR 61 - HB3 SER 77 1.667% * 0.0106% (0.05 1.0 1.00 0.02 0.02) = 0.011% HA ALA 91 - HB3 SER 88 1.667% * 0.0100% (0.05 1.0 1.00 0.02 0.02) = 0.010% HA2 GLY 26 - HB3 SER 77 1.667% * 0.0091% (0.05 1.0 1.00 0.02 0.02) = 0.009% HB THR 61 - HB3 SER 88 1.667% * 0.0090% (0.04 1.0 1.00 0.02 0.02) = 0.009% HA2 GLY 26 - HB3 SER 88 1.667% * 0.0077% (0.04 1.0 1.00 0.02 0.02) = 0.008% HA PRO 112 - HB2 SER 85 1.667% * 0.0073% (0.04 1.0 1.00 0.02 0.02) = 0.007% HA PRO 112 - HB2 SER 77 1.667% * 0.0065% (0.03 1.0 1.00 0.02 0.02) = 0.006% HA ASN 57 - HB3 SER 77 1.667% * 0.0055% (0.03 1.0 1.00 0.02 0.02) = 0.005% HA THR 95 - HB3 SER 77 1.667% * 0.0050% (0.02 1.0 1.00 0.02 0.02) = 0.005% HA ASN 57 - HB3 SER 88 1.667% * 0.0046% (0.02 1.0 1.00 0.02 0.02) = 0.005% HA THR 95 - HB3 SER 88 1.667% * 0.0042% (0.02 1.0 1.00 0.02 0.02) = 0.004% HA PRO 104 - HB3 SER 77 1.667% * 0.0037% (0.02 1.0 1.00 0.02 0.02) = 0.004% HA PRO 104 - HB3 SER 88 1.667% * 0.0031% (0.02 1.0 1.00 0.02 0.02) = 0.003% HA PRO 112 - HB3 SER 77 1.667% * 0.0020% (0.01 1.0 1.00 0.02 0.02) = 0.002% HA PRO 112 - HB3 SER 88 1.667% * 0.0017% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 27 (4.10, 1.54, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA THR 24 - QG2 THR 24 Peak unassigned. Peak 28 (4.05, 4.06, 63.78 ppm): 4 diagonal assignments: * HA VAL 125 - HA VAL 125 (0.86) kept HB3 SER 85 - HB3 SER 85 (0.64) kept HB2 SER 49 - HB2 SER 49 (0.11) kept HB3 SER 49 - HB3 SER 49 (0.02) kept Peak 29 (4.02, 1.38, 22.37 ppm): 10 chemical-shift based assignments, quality = 0.69, support = 1.73, residual support = 11.1: * HA THR 38 - QG2 THR 39 10.000% * 74.5884% (0.76 2.10 14.77) = 74.588% kept HB THR 95 - QG2 THR 39 10.000% * 19.8699% (0.56 0.75 0.17) = 19.870% kept HB3 SER 85 - QG2 THR 39 10.000% * 4.0467% (0.22 0.39 2.34) = 4.047% kept HA VAL 13 - QG2 THR 39 10.000% * 0.9277% (0.99 0.02 0.02) = 0.928% HA VAL 13 - HG2 LYS+ 78 10.000% * 0.1555% (0.17 0.02 0.02) = 0.155% HB3 SER 49 - QG2 THR 39 10.000% * 0.1455% (0.16 0.02 0.02) = 0.146% HA THR 38 - HG2 LYS+ 78 10.000% * 0.1191% (0.13 0.02 0.02) = 0.119% HB THR 95 - HG2 LYS+ 78 10.000% * 0.0882% (0.09 0.02 0.02) = 0.088% HB3 SER 85 - HG2 LYS+ 78 10.000% * 0.0347% (0.04 0.02 0.02) = 0.035% HB3 SER 49 - HG2 LYS+ 78 10.000% * 0.0244% (0.03 0.02 0.02) = 0.024% Peak 30 (3.95, -0.03, 22.35 ppm): 3 chemical-shift based assignments, quality = 0.989, support = 6.18, residual support = 158.7: * T HA LEU 74 - QD1 LEU 74 33.333% * 99.8617% (0.99 10.00 6.19 158.96) = 99.862% kept HA1 GLY 114 - QD1 LEU 74 33.333% * 0.1005% (1.00 1.00 0.02 0.02) = 0.101% HB THR 96 - QD1 LEU 74 33.333% * 0.0378% (0.37 1.00 0.02 0.02) = 0.038% Peak 33 (3.88, 4.05, 63.82 ppm): 20 chemical-shift based assignments, quality = 0.497, support = 1.07, residual support = 4.99: * O HB2 SER 85 - HB3 SER 85 5.000% * 60.1307% (0.31 10.0 1.00 1.00 7.04) = 60.131% kept HD2 PRO 86 - HB3 SER 85 5.000% * 28.1353% (0.90 1.0 1.00 1.60 2.67) = 28.135% kept HD2 PRO 116 - HB3 SER 85 5.000% * 5.2163% (0.89 1.0 1.00 0.30 0.02) = 5.216% kept T HB3 SER 77 - HB3 SER 85 5.000% * 1.3232% (0.34 1.0 10.00 0.02 0.02) = 1.323% kept HB3 SER 27 - HA VAL 125 5.000% * 1.2005% (0.56 1.0 1.00 0.11 0.02) = 1.201% kept T HB3 SER 88 - HB3 SER 85 5.000% * 1.0882% (0.28 1.0 10.00 0.02 0.02) = 1.088% kept HD2 PRO 86 - HA VAL 125 5.000% * 0.3624% (0.92 1.0 1.00 0.02 0.02) = 0.362% HD2 PRO 116 - HA VAL 125 5.000% * 0.3592% (0.91 1.0 1.00 0.02 0.02) = 0.359% HD3 PRO 35 - HA VAL 125 5.000% * 0.3497% (0.89 1.0 1.00 0.02 0.61) = 0.350% HD3 PRO 35 - HB3 SER 85 5.000% * 0.3402% (0.87 1.0 1.00 0.02 0.02) = 0.340% HA GLU- 45 - HA VAL 125 5.000% * 0.2344% (0.60 1.0 1.00 0.02 0.02) = 0.234% HA GLU- 45 - HB3 SER 85 5.000% * 0.2281% (0.58 1.0 1.00 0.02 0.02) = 0.228% HB3 SER 27 - HB3 SER 85 5.000% * 0.2138% (0.54 1.0 1.00 0.02 0.02) = 0.214% HA2 GLY 114 - HA VAL 125 5.000% * 0.1360% (0.35 1.0 1.00 0.02 0.02) = 0.136% HB3 SER 77 - HA VAL 125 5.000% * 0.1360% (0.35 1.0 1.00 0.02 0.02) = 0.136% HA2 GLY 114 - HB3 SER 85 5.000% * 0.1323% (0.34 1.0 1.00 0.02 0.02) = 0.132% HB2 SER 85 - HA VAL 125 5.000% * 0.1236% (0.31 1.0 1.00 0.02 0.02) = 0.124% HB3 SER 88 - HA VAL 125 5.000% * 0.1118% (0.28 1.0 1.00 0.02 0.02) = 0.112% HB2 SER 77 - HA VAL 125 5.000% * 0.0904% (0.23 1.0 1.00 0.02 0.02) = 0.090% HB2 SER 77 - HB3 SER 85 5.000% * 0.0879% (0.22 1.0 1.00 0.02 0.02) = 0.088% Peak 34 (3.86, 3.85, 63.84 ppm): 4 diagonal assignments: * HB2 SER 85 - HB2 SER 85 (0.94) kept HB3 SER 27 - HB3 SER 27 (0.72) kept HB3 SER 88 - HB3 SER 88 (0.21) kept HB3 SER 77 - HB3 SER 77 (0.20) kept Peak 35 (3.87, 3.49, 63.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 36 (3.75, 3.72, 63.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 37 (3.59, 3.87, 63.87 ppm): 15 chemical-shift based assignments, quality = 0.382, support = 0.0679, residual support = 0.0437: HD2 PRO 104 - HB3 SER 27 6.667% * 17.7876% (0.70 0.02 0.15) = 17.788% kept HD2 PRO 104 - HB2 SER 77 6.667% * 16.0526% (0.04 0.32 0.02) = 16.053% kept HD2 PRO 104 - HB2 SER 85 6.667% * 15.7092% (0.62 0.02 0.02) = 15.709% kept HD2 PRO 31 - HB3 SER 27 6.667% * 12.8877% (0.51 0.02 0.02) = 12.888% kept HD2 PRO 31 - HB2 SER 85 6.667% * 11.3819% (0.45 0.02 0.02) = 11.382% kept HD2 PRO 104 - HB3 SER 77 6.667% * 4.4777% (0.18 0.02 0.02) = 4.478% kept HD2 PRO 112 - HB3 SER 27 6.667% * 4.2900% (0.17 0.02 0.02) = 4.290% kept HD2 PRO 104 - HB3 SER 88 6.667% * 4.2380% (0.17 0.02 0.02) = 4.238% kept HD2 PRO 112 - HB2 SER 85 6.667% * 3.7887% (0.15 0.02 0.02) = 3.789% kept HD2 PRO 31 - HB3 SER 77 6.667% * 3.2442% (0.13 0.02 0.02) = 3.244% kept HD2 PRO 31 - HB3 SER 88 6.667% * 3.0706% (0.12 0.02 0.02) = 3.071% kept HD2 PRO 112 - HB3 SER 77 6.667% * 1.0799% (0.04 0.02 0.02) = 1.080% kept HD2 PRO 112 - HB3 SER 88 6.667% * 1.0221% (0.04 0.02 0.02) = 1.022% kept HD2 PRO 31 - HB2 SER 77 6.667% * 0.7275% (0.03 0.02 0.02) = 0.728% HD2 PRO 112 - HB2 SER 77 6.667% * 0.2422% (0.01 0.02 0.02) = 0.242% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 39 (3.52, 0.11, 22.43 ppm): 3 chemical-shift based assignments, quality = 0.902, support = 3.58, residual support = 20.4: * T HA LYS+ 44 - QG2 VAL 47 33.333% * 97.3579% (0.90 10.00 3.66 20.97) = 97.358% kept HA1 GLY 26 - QG2 VAL 47 33.333% * 2.6278% (0.78 1.00 0.62 0.02) = 2.628% kept HB2 SER 69 - QG2 VAL 47 33.333% * 0.0143% (0.13 1.00 0.02 0.02) = 0.014% Peak 40 (3.53, -0.03, 22.30 ppm): 3 chemical-shift based assignments, quality = 0.481, support = 3.48, residual support = 36.3: * T HB2 SER 69 - QD1 LEU 74 33.333% * 86.1827% (0.40 10.00 3.90 42.02) = 86.183% kept HA LYS+ 44 - QD1 LEU 74 33.333% * 10.2422% (0.95 1.00 1.01 0.61) = 10.242% kept HA1 GLY 26 - QD1 LEU 74 33.333% * 3.5750% (0.98 1.00 0.34 0.02) = 3.575% kept Peak 41 (3.08, 0.11, 22.44 ppm): 3 chemical-shift based assignments, quality = 0.847, support = 3.24, residual support = 78.8: * O T HA VAL 47 - QG2 VAL 47 33.333% * 99.9502% (0.85 10.0 10.00 3.24 78.85) = 99.950% kept HB3 ASP- 25 - QG2 VAL 47 33.333% * 0.0320% (0.27 1.0 1.00 0.02 0.02) = 0.032% HB3 TRP 51 - QG2 VAL 47 33.333% * 0.0178% (0.15 1.0 1.00 0.02 4.00) = 0.018% Peak 43 (2.26, 0.95, 22.31 ppm): 24 chemical-shift based assignments, quality = 0.728, support = 0.721, residual support = 0.483: T HB VAL 80 - QG2 VAL 62 4.167% * 26.5144% (0.73 10.00 0.99 0.88) = 26.514% kept T HG2 PRO 112 - QG2 VAL 73 4.167% * 20.3120% (0.85 10.00 0.65 0.41) = 20.312% kept T HB VAL 80 - QG2 VAL 73 4.167% * 18.8187% (0.75 10.00 0.68 0.57) = 18.819% kept T HB3 PRO 112 - QG2 VAL 62 4.167% * 15.0206% (0.56 10.00 0.73 0.10) = 15.021% kept T HG2 PRO 112 - QG2 VAL 62 4.167% * 14.7690% (0.82 10.00 0.49 0.10) = 14.769% kept T HB3 PRO 112 - QG2 VAL 73 4.167% * 1.8009% (0.58 10.00 0.08 0.41) = 1.801% kept HB3 GLU- 45 - QG2 VAL 73 4.167% * 1.3266% (0.30 1.00 1.22 1.63) = 1.327% kept HB3 GLU- 45 - QG2 VAL 62 4.167% * 0.7722% (0.29 1.00 0.73 0.50) = 0.772% HG3 GLU- 54 - QG2 VAL 73 4.167% * 0.0638% (0.87 1.00 0.02 0.02) = 0.064% HG3 GLU- 107 - QG2 VAL 73 4.167% * 0.0626% (0.85 1.00 0.02 0.11) = 0.063% HG3 GLU- 54 - QG2 VAL 62 4.167% * 0.0616% (0.84 1.00 0.02 0.02) = 0.062% HG3 GLU- 107 - QG2 VAL 62 4.167% * 0.0606% (0.82 1.00 0.02 0.02) = 0.061% HB3 LYS+ 117 - QG2 VAL 73 4.167% * 0.0512% (0.70 1.00 0.02 0.13) = 0.051% HG3 GLU- 75 - QG2 VAL 73 4.167% * 0.0512% (0.70 1.00 0.02 0.02) = 0.051% HG3 GLU- 75 - QG2 VAL 62 4.167% * 0.0495% (0.67 1.00 0.02 0.02) = 0.049% HB3 LYS+ 117 - QG2 VAL 62 4.167% * 0.0495% (0.67 1.00 0.02 0.02) = 0.049% HB3 ASN 15 - QG2 VAL 73 4.167% * 0.0388% (0.53 1.00 0.02 0.02) = 0.039% HB3 ASN 15 - QG2 VAL 62 4.167% * 0.0375% (0.51 1.00 0.02 0.02) = 0.037% HG3 GLU- 10 - QG2 VAL 73 4.167% * 0.0287% (0.39 1.00 0.02 0.02) = 0.029% HG3 GLU- 10 - QG2 VAL 62 4.167% * 0.0277% (0.38 1.00 0.02 0.02) = 0.028% HG3 GLN 16 - QG2 VAL 73 4.167% * 0.0263% (0.36 1.00 0.02 0.02) = 0.026% HG3 GLN 16 - QG2 VAL 62 4.167% * 0.0254% (0.35 1.00 0.02 0.02) = 0.025% HB2 LYS+ 44 - QG2 VAL 73 4.167% * 0.0159% (0.22 1.00 0.02 0.02) = 0.016% HB2 LYS+ 44 - QG2 VAL 62 4.167% * 0.0154% (0.21 1.00 0.02 1.08) = 0.015% Peak 44 (2.19, 0.58, 22.45 ppm): 11 chemical-shift based assignments, quality = 0.227, support = 2.72, residual support = 8.77: * T HB VAL 99 - QD1 LEU 23 9.091% * 60.4403% (0.25 10.00 3.69 13.83) = 60.440% kept T HG2 GLN 102 - QD1 LEU 23 9.091% * 30.8955% (0.20 10.00 1.25 0.96) = 30.895% kept HB2 ASP- 82 - QD1 LEU 23 9.091% * 5.0045% (0.21 1.00 1.94 2.34) = 5.004% kept T HG3 MET 126 - QD1 LEU 23 9.091% * 1.7185% (0.05 10.00 0.28 0.02) = 1.719% kept HB3 PRO 104 - QD1 LEU 23 9.091% * 1.0904% (0.24 1.00 0.37 0.02) = 1.090% kept T HG2 MET 126 - QD1 LEU 23 9.091% * 0.4937% (0.20 10.00 0.02 0.02) = 0.494% HG2 PRO 104 - QD1 LEU 23 9.091% * 0.1869% (0.09 1.00 0.18 0.02) = 0.187% T HG3 MET 97 - QD1 LEU 23 9.091% * 0.0834% (0.03 10.00 0.02 0.02) = 0.083% HG2 PRO 112 - QD1 LEU 23 9.091% * 0.0607% (0.25 1.00 0.02 0.02) = 0.061% HB3 GLU- 75 - QD1 LEU 23 9.091% * 0.0176% (0.07 1.00 0.02 0.02) = 0.018% HA1 GLY 58 - QD1 LEU 23 9.091% * 0.0083% (0.03 1.00 0.02 0.02) = 0.008% Peak 45 (2.15, 0.11, 22.44 ppm): 10 chemical-shift based assignments, quality = 0.927, support = 3.38, residual support = 69.4: * O T HB VAL 47 - QG2 VAL 47 10.000% * 88.0508% (0.98 10.0 10.00 3.78 78.85) = 88.051% kept T HB3 GLU- 75 - QG2 VAL 47 10.000% * 9.0720% (0.61 1.0 10.00 0.33 0.02) = 9.072% kept HG2 GLU- 45 - QG2 VAL 47 10.000% * 1.7007% (0.30 1.0 1.00 1.25 0.19) = 1.701% kept HG2 PRO 112 - QG2 VAL 47 10.000% * 0.9187% (0.93 1.0 1.00 0.22 0.02) = 0.919% HB3 LYS+ 78 - QG2 VAL 47 10.000% * 0.0865% (0.97 1.0 1.00 0.02 0.02) = 0.086% HG2 PRO 104 - QG2 VAL 47 10.000% * 0.0606% (0.68 1.0 1.00 0.02 0.02) = 0.061% HB2 ASP- 28 - QG2 VAL 47 10.000% * 0.0535% (0.60 1.0 1.00 0.02 0.02) = 0.054% HG2 GLN 102 - QG2 VAL 47 10.000% * 0.0220% (0.25 1.0 1.00 0.02 0.02) = 0.022% HB2 ASP- 82 - QG2 VAL 47 10.000% * 0.0196% (0.22 1.0 1.00 0.02 1.25) = 0.020% HB VAL 105 - QG2 VAL 47 10.000% * 0.0155% (0.17 1.0 1.00 0.02 0.02) = 0.015% Peak 46 (1.92, 0.58, 22.44 ppm): 13 chemical-shift based assignments, quality = 0.24, support = 3.49, residual support = 67.7: * O T HB2 LEU 23 - QD1 LEU 23 7.692% * 50.4689% (0.24 10.0 10.00 5.12 120.20) = 50.469% kept T HB ILE 29 - QD1 LEU 23 7.692% * 48.5147% (0.25 1.0 10.00 1.86 14.52) = 48.515% kept HB3 GLN 102 - QD1 LEU 23 7.692% * 0.7596% (0.14 1.0 1.00 0.51 0.96) = 0.760% HB2 PRO 116 - QD1 LEU 23 7.692% * 0.0419% (0.20 1.0 1.00 0.02 0.02) = 0.042% HB2 GLU- 10 - QD1 LEU 23 7.692% * 0.0419% (0.20 1.0 1.00 0.02 0.02) = 0.042% HD3 LYS+ 63 - QD1 LEU 23 7.692% * 0.0400% (0.19 1.0 1.00 0.02 0.02) = 0.040% HB2 PRO 112 - QD1 LEU 23 7.692% * 0.0334% (0.16 1.0 1.00 0.02 0.02) = 0.033% HB2 GLU- 75 - QD1 LEU 23 7.692% * 0.0255% (0.12 1.0 1.00 0.02 0.02) = 0.025% HG2 PRO 112 - QD1 LEU 23 7.692% * 0.0172% (0.08 1.0 1.00 0.02 0.02) = 0.017% HB3 LYS+ 55 - QD1 LEU 23 7.692% * 0.0161% (0.08 1.0 1.00 0.02 0.02) = 0.016% HB3 ARG+ 53 - QD1 LEU 23 7.692% * 0.0161% (0.08 1.0 1.00 0.02 0.20) = 0.016% HG3 PRO 31 - QD1 LEU 23 7.692% * 0.0145% (0.07 1.0 1.00 0.02 0.02) = 0.015% HB3 CYS 123 - QD1 LEU 23 7.692% * 0.0103% (0.05 1.0 1.00 0.02 0.02) = 0.010% Peak 47 (1.86, -0.03, 22.32 ppm): 11 chemical-shift based assignments, quality = 0.734, support = 0.895, residual support = 0.841: HD2 PRO 59 - QD1 LEU 74 9.091% * 30.0231% (0.98 1.25 1.53) = 30.023% kept HB3 ARG+ 84 - QD1 LEU 74 9.091% * 13.5634% (0.60 0.92 0.27) = 13.563% kept HB3 LYS+ 60 - QD1 LEU 74 9.091% * 13.2720% (0.89 0.61 1.30) = 13.272% kept HB2 LYS+ 66 - QD1 LEU 74 9.091% * 12.0650% (0.56 0.88 0.11) = 12.065% kept * HB3 LYS+ 72 - QD1 LEU 74 9.091% * 11.7274% (0.92 0.52 0.37) = 11.727% kept HD3 PRO 52 - QD1 LEU 74 9.091% * 7.1464% (0.56 0.52 0.14) = 7.146% kept HB2 PRO 59 - QD1 LEU 74 9.091% * 5.3560% (0.25 0.89 1.53) = 5.356% kept HG2 PRO 112 - QD1 LEU 74 9.091% * 5.2367% (0.19 1.15 0.48) = 5.237% kept HG3 LYS+ 120 - QD1 LEU 74 9.091% * 0.6691% (0.34 0.08 0.02) = 0.669% HB VAL 94 - QD1 LEU 74 9.091% * 0.4829% (0.99 0.02 0.02) = 0.483% HB2 PRO 104 - QD1 LEU 74 9.091% * 0.4578% (0.94 0.02 0.02) = 0.458% Peak 51 (1.68, -0.03, 22.32 ppm): 9 chemical-shift based assignments, quality = 0.652, support = 0.741, residual support = 0.316: HB3 LYS+ 81 - QD1 LEU 74 11.111% * 22.7955% (0.92 0.57 0.32) = 22.795% kept HG2 PRO 52 - QD1 LEU 74 11.111% * 21.5074% (0.76 0.65 0.14) = 21.507% kept HG3 ARG+ 84 - QD1 LEU 74 11.111% * 20.9675% (0.37 1.29 0.27) = 20.968% kept HB3 LYS+ 66 - QD1 LEU 74 11.111% * 18.7556% (0.56 0.77 0.11) = 18.756% kept HB3 MET 97 - QD1 LEU 74 11.111% * 13.1529% (0.72 0.42 1.03) = 13.153% kept HD3 LYS+ 55 - QD1 LEU 74 11.111% * 0.8328% (0.96 0.02 0.02) = 0.833% HG13 ILE 19 - QD1 LEU 74 11.111% * 0.7739% (0.89 0.02 0.02) = 0.774% HB3 MET 126 - QD1 LEU 74 11.111% * 0.6910% (0.80 0.02 0.02) = 0.691% HB ILE 100 - QD1 LEU 74 11.111% * 0.5234% (0.60 0.02 0.02) = 0.523% Peak 52 (1.63, 0.58, 22.44 ppm): 10 chemical-shift based assignments, quality = 0.234, support = 2.87, residual support = 74.4: * O HG LEU 23 - QD1 LEU 23 10.000% * 59.9363% (0.24 10.0 1.00 3.84 120.20) = 59.936% kept T HG12 ILE 101 - QD1 LEU 23 10.000% * 32.2612% (0.25 1.0 10.00 1.07 0.50) = 32.261% kept HG2 ARG+ 22 - QD1 LEU 23 10.000% * 5.3764% (0.12 1.0 1.00 3.65 40.42) = 5.376% kept HB3 PRO 52 - QD1 LEU 23 10.000% * 1.6756% (0.09 1.0 1.00 1.48 1.68) = 1.676% kept HB VAL 122 - QD1 LEU 23 10.000% * 0.5305% (0.25 1.0 1.00 0.18 0.02) = 0.531% HB ILE 68 - QD1 LEU 23 10.000% * 0.0603% (0.25 1.0 1.00 0.02 0.02) = 0.060% HG LEU 43 - QD1 LEU 23 10.000% * 0.0603% (0.25 1.0 1.00 0.02 0.02) = 0.060% HG3 LYS+ 78 - QD1 LEU 23 10.000% * 0.0525% (0.21 1.0 1.00 0.02 0.02) = 0.052% HG2 LYS+ 110 - QD1 LEU 23 10.000% * 0.0318% (0.13 1.0 1.00 0.02 0.02) = 0.032% HD3 LYS+ 32 - QD1 LEU 23 10.000% * 0.0151% (0.06 1.0 1.00 0.02 0.02) = 0.015% Peak 53 (1.59, 1.02, 22.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 55 (1.55, 1.54, 22.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: QG2 THR 24 - QG2 THR 24 Peak unassigned. Peak 57 (1.48, -0.03, 22.35 ppm): 10 chemical-shift based assignments, quality = 0.655, support = 2.08, residual support = 6.35: HB3 LEU 67 - QD1 LEU 74 10.000% * 35.3806% (0.60 3.62 17.09) = 35.381% kept QB ALA 70 - QD1 LEU 74 10.000% * 23.7086% (1.00 1.47 0.34) = 23.709% kept HG3 PRO 52 - QD1 LEU 74 10.000% * 10.9291% (0.52 1.29 0.14) = 10.929% kept HB3 LYS+ 44 - QD1 LEU 74 10.000% * 10.5637% (1.00 0.66 0.61) = 10.564% kept HB2 LYS+ 72 - QD1 LEU 74 10.000% * 6.3365% (0.31 1.27 0.37) = 6.337% kept HG3 LYS+ 72 - QD1 LEU 74 10.000% * 4.6133% (0.22 1.29 0.37) = 4.613% kept HG3 LYS+ 60 - QD1 LEU 74 10.000% * 4.4034% (0.17 1.56 1.30) = 4.403% kept HG2 PRO 59 - QD1 LEU 74 10.000% * 2.7979% (0.17 0.99 1.53) = 2.798% kept HD3 LYS+ 108 - QD1 LEU 74 10.000% * 0.6969% (0.41 0.11 0.02) = 0.697% HG13 ILE 48 - QD1 LEU 74 10.000% * 0.5701% (0.31 0.11 0.02) = 0.570% Peak 59 (1.38, 1.38, 22.39 ppm): 2 diagonal assignments: * QG2 THR 39 - QG2 THR 39 (0.99) kept HG2 LYS+ 78 - HG2 LYS+ 78 (0.14) kept Peak 60 (1.39, 1.10, 22.36 ppm): 10 chemical-shift based assignments, quality = 0.356, support = 3.47, residual support = 14.4: QG2 THR 39 - QG2 THR 79 10.000% * 66.0497% (0.38 4.73 16.04) = 66.050% kept * HG2 LYS+ 78 - QG2 THR 79 10.000% * 15.8023% (0.27 1.56 22.64) = 15.802% kept HD3 LYS+ 20 - QG2 THR 79 10.000% * 10.0099% (0.50 0.54 1.30) = 10.010% kept HB3 LYS+ 20 - QG2 THR 79 10.000% * 4.2809% (0.12 1.00 1.30) = 4.281% kept HG LEU 67 - QG2 THR 79 10.000% * 2.7158% (0.34 0.22 0.02) = 2.716% kept HG13 ILE 68 - QG2 THR 79 10.000% * 0.3449% (0.47 0.02 0.02) = 0.345% QB ALA 93 - QG2 THR 79 10.000% * 0.2641% (0.36 0.02 0.02) = 0.264% HG13 ILE 100 - QG2 THR 79 10.000% * 0.2641% (0.36 0.02 0.02) = 0.264% QB ALA 37 - QG2 THR 79 10.000% * 0.1724% (0.23 0.02 0.02) = 0.172% QB ALA 11 - QG2 THR 79 10.000% * 0.0959% (0.13 0.02 0.02) = 0.096% Peak 61 (1.38, 1.01, 22.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 64 (1.10, 1.38, 22.37 ppm): 6 chemical-shift based assignments, quality = 0.888, support = 4.32, residual support = 16.6: T QG2 THR 79 - QG2 THR 39 16.667% * 87.5542% (0.99 10.00 4.73 16.04) = 87.554% kept * T QG2 THR 79 - HG2 LYS+ 78 16.667% * 11.2089% (0.16 10.00 1.56 22.64) = 11.209% kept QG2 THR 95 - QG2 THR 39 16.667% * 1.1843% (0.45 1.00 0.60 0.17) = 1.184% kept QG2 THR 61 - QG2 THR 39 16.667% * 0.0396% (0.45 1.00 0.02 0.02) = 0.040% QG2 THR 95 - HG2 LYS+ 78 16.667% * 0.0065% (0.07 1.00 0.02 0.02) = 0.006% QG2 THR 61 - HG2 LYS+ 78 16.667% * 0.0065% (0.07 1.00 0.02 0.02) = 0.006% Peak 66 (0.95, 0.59, 22.39 ppm): 10 chemical-shift based assignments, quality = 0.128, support = 1.54, residual support = 11.1: QG2 ILE 29 - QD1 LEU 23 10.000% * 39.2304% (0.15 1.66 14.52) = 39.230% kept * QG2 VAL 99 - QD1 LEU 23 10.000% * 38.6285% (0.13 1.95 13.83) = 38.629% kept QG2 VAL 105 - QD1 LEU 23 10.000% * 11.7622% (0.09 0.88 0.12) = 11.762% kept QG1 VAL 105 - QD1 LEU 23 10.000% * 7.0704% (0.10 0.46 0.12) = 7.070% kept QG2 VAL 62 - QD1 LEU 23 10.000% * 1.7397% (0.14 0.08 0.02) = 1.740% kept HG12 ILE 68 - QD1 LEU 23 10.000% * 0.6085% (0.05 0.08 0.02) = 0.609% QG2 VAL 73 - QD1 LEU 23 10.000% * 0.4707% (0.15 0.02 0.02) = 0.471% QD1 LEU 17 - QD1 LEU 23 10.000% * 0.2880% (0.09 0.02 0.13) = 0.288% HG3 LYS+ 110 - QD1 LEU 23 10.000% * 0.1184% (0.04 0.02 0.02) = 0.118% QG2 VAL 80 - QD1 LEU 23 10.000% * 0.0832% (0.03 0.02 0.02) = 0.083% Peak 67 (0.92, 3.87, 63.78 ppm): 26 chemical-shift based assignments, quality = 0.494, support = 0.323, residual support = 0.0377: QG1 VAL 47 - HB2 SER 85 3.846% * 21.2796% (0.52 0.54 0.02) = 21.280% kept * QG2 VAL 87 - HB2 SER 85 3.846% * 18.0058% (0.45 0.53 0.12) = 18.006% kept QG1 VAL 47 - HB3 SER 27 3.846% * 16.1924% (0.58 0.37 0.02) = 16.192% kept QD1 LEU 17 - HB2 SER 85 3.846% * 9.8121% (0.42 0.31 0.02) = 9.812% kept HG12 ILE 68 - HB2 SER 85 3.846% * 5.5192% (0.69 0.11 0.02) = 5.519% kept QG2 VAL 40 - HB2 SER 85 3.846% * 4.7184% (0.45 0.14 0.02) = 4.718% kept QG2 VAL 105 - HB3 SER 27 3.846% * 3.2331% (0.50 0.08 0.02) = 3.233% kept QG1 VAL 105 - HB3 SER 27 3.846% * 2.7551% (0.43 0.08 0.02) = 2.755% kept QG2 VAL 105 - HB2 SER 85 3.846% * 2.7185% (0.45 0.08 0.02) = 2.718% kept QG1 VAL 105 - HB2 SER 85 3.846% * 2.3165% (0.38 0.08 0.02) = 2.317% kept QG2 VAL 80 - HB3 SER 27 3.846% * 1.3711% (0.91 0.02 0.02) = 1.371% kept HG3 LYS+ 110 - HB3 SER 27 3.846% * 1.2573% (0.83 0.02 0.02) = 1.257% kept QG2 VAL 80 - HB2 SER 85 3.846% * 1.2268% (0.81 0.02 0.02) = 1.227% kept HG12 ILE 68 - HB3 SER 27 3.846% * 1.1606% (0.77 0.02 0.02) = 1.161% kept HG3 LYS+ 110 - HB2 SER 85 3.846% * 1.1249% (0.74 0.02 0.02) = 1.125% kept HG3 LYS+ 117 - HB3 SER 27 3.846% * 1.1077% (0.73 0.02 0.02) = 1.108% kept QD1 LEU 67 - HB3 SER 27 3.846% * 0.9957% (0.66 0.02 0.02) = 0.996% HG3 LYS+ 117 - HB2 SER 85 3.846% * 0.9911% (0.66 0.02 0.02) = 0.991% QD1 LEU 67 - HB2 SER 85 3.846% * 0.8908% (0.59 0.02 0.02) = 0.891% QG2 VAL 40 - HB3 SER 27 3.846% * 0.7626% (0.50 0.02 0.02) = 0.763% QG2 VAL 87 - HB3 SER 27 3.846% * 0.7626% (0.50 0.02 0.02) = 0.763% QD1 LEU 17 - HB3 SER 27 3.846% * 0.7055% (0.47 0.02 0.14) = 0.706% QG1 VAL 80 - HB3 SER 27 3.846% * 0.3227% (0.21 0.02 0.02) = 0.323% QG1 VAL 80 - HB2 SER 85 3.846% * 0.2887% (0.19 0.02 0.02) = 0.289% QG2 VAL 62 - HB3 SER 27 3.846% * 0.2538% (0.17 0.02 0.02) = 0.254% QG2 VAL 62 - HB2 SER 85 3.846% * 0.2271% (0.15 0.02 0.02) = 0.227% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 69 (0.91, 0.11, 22.43 ppm): 13 chemical-shift based assignments, quality = 0.865, support = 3.57, residual support = 75.3: * O QG1 VAL 47 - QG2 VAL 47 7.692% * 95.5026% (0.88 10.0 3.73 78.85) = 95.503% kept QD1 LEU 67 - QG2 VAL 47 7.692% * 2.2873% (0.93 1.0 0.45 0.45) = 2.287% kept QG1 VAL 80 - QG2 VAL 47 7.692% * 1.0122% (0.48 1.0 0.39 0.02) = 1.012% kept HG12 ILE 68 - QG2 VAL 47 7.692% * 0.6147% (0.48 1.0 0.24 0.02) = 0.615% HG3 LYS+ 117 - QG2 VAL 47 7.692% * 0.1044% (0.96 1.0 0.02 0.02) = 0.104% QG2 VAL 125 - QG2 VAL 47 7.692% * 0.0962% (0.19 1.0 0.09 0.02) = 0.096% QG2 VAL 87 - QG2 VAL 47 7.692% * 0.0889% (0.82 1.0 0.02 0.02) = 0.089% QG2 VAL 40 - QG2 VAL 47 7.692% * 0.0889% (0.82 1.0 0.02 0.02) = 0.089% QG2 VAL 80 - QG2 VAL 47 7.692% * 0.0731% (0.67 1.0 0.02 0.02) = 0.073% HG3 LYS+ 110 - QG2 VAL 47 7.692% * 0.0603% (0.55 1.0 0.02 0.02) = 0.060% QG2 VAL 105 - QG2 VAL 47 7.692% * 0.0266% (0.24 1.0 0.02 0.02) = 0.027% QD1 LEU 17 - QG2 VAL 47 7.692% * 0.0237% (0.22 1.0 0.02 0.02) = 0.024% QG1 VAL 105 - QG2 VAL 47 7.692% * 0.0211% (0.19 1.0 0.02 0.02) = 0.021% Peak 74 (0.75, 0.11, 22.44 ppm): 6 chemical-shift based assignments, quality = 0.486, support = 3.03, residual support = 25.3: QG2 ILE 48 - QG2 VAL 47 16.667% * 49.3232% (0.39 4.15 33.51) = 49.323% kept * HG3 LYS+ 44 - QG2 VAL 47 16.667% * 41.7547% (0.60 2.28 20.97) = 41.755% kept HG3 LYS+ 66 - QG2 VAL 47 16.667% * 5.9497% (0.60 0.33 0.02) = 5.950% kept QD1 ILE 68 - QG2 VAL 47 16.667% * 1.9884% (0.28 0.24 0.02) = 1.988% kept QG2 VAL 65 - QG2 VAL 47 16.667% * 0.8336% (0.34 0.08 0.02) = 0.834% QG1 VAL 40 - QG2 VAL 47 16.667% * 0.1504% (0.25 0.02 0.02) = 0.150% Peak 75 (0.73, -0.03, 22.35 ppm): 10 chemical-shift based assignments, quality = 0.82, support = 4.42, residual support = 111.6: * O HG LEU 74 - QD1 LEU 74 10.000% * 69.2921% (0.80 10.0 5.44 158.96) = 69.292% kept QG1 VAL 40 - QD1 LEU 74 10.000% * 11.4952% (0.99 1.0 2.66 11.48) = 11.495% kept QD1 ILE 68 - QD1 LEU 74 10.000% * 10.9454% (0.98 1.0 2.55 1.07) = 10.945% kept HG3 LYS+ 66 - QD1 LEU 74 10.000% * 3.4391% (0.76 1.0 1.04 0.11) = 3.439% kept HG3 LYS+ 44 - QD1 LEU 74 10.000% * 2.8067% (0.76 1.0 0.85 0.61) = 2.807% kept QG2 VAL 65 - QD1 LEU 74 10.000% * 0.8882% (0.96 1.0 0.21 0.02) = 0.888% QG2 ILE 101 - QD1 LEU 74 10.000% * 0.8287% (0.57 1.0 0.34 0.02) = 0.829% QG2 ILE 48 - QD1 LEU 74 10.000% * 0.2627% (0.68 1.0 0.09 0.02) = 0.263% QG2 THR 96 - QD1 LEU 74 10.000% * 0.0267% (0.31 1.0 0.02 0.02) = 0.027% QG1 VAL 65 - QD1 LEU 74 10.000% * 0.0152% (0.17 1.0 0.02 0.02) = 0.015% Peak 77 (0.59, 0.58, 22.43 ppm): 1 diagonal assignment: * QD1 LEU 23 - QD1 LEU 23 (0.23) kept Peak 78 (0.58, 0.99, 22.41 ppm): 4 chemical-shift based assignments, quality = 0.0478, support = 1.94, residual support = 13.7: * T QD1 LEU 23 - QG2 VAL 99 25.000% * 98.7222% (0.05 10.00 1.95 13.83) = 98.722% kept QD1 ILE 101 - QG2 VAL 99 25.000% * 1.1583% (0.01 1.00 1.13 2.72) = 1.158% kept QG2 VAL 122 - QG2 VAL 99 25.000% * 0.1032% (0.05 1.00 0.02 0.02) = 0.103% QG2 ILE 48 - QG2 VAL 99 25.000% * 0.0163% (0.01 1.00 0.02 0.20) = 0.016% Peak 79 (0.46, -0.03, 22.34 ppm): 2 chemical-shift based assignments, quality = 0.971, support = 5.47, residual support = 157.3: * O QD2 LEU 74 - QD1 LEU 74 50.000% * 98.9357% (0.98 10.0 5.53 158.96) = 98.936% kept QD2 LEU 43 - QD1 LEU 74 50.000% * 1.0643% (0.60 1.0 0.35 1.31) = 1.064% kept Peak 80 (0.43, 0.59, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.0326, support = 0.02, residual support = 0.327: QD1 ILE 48 - QD1 LEU 23 50.000% * 50.0000% (0.03 0.02 0.33) = 50.000% kept HG12 ILE 48 - QD1 LEU 23 50.000% * 50.0000% (0.03 0.02 0.33) = 50.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 82 (0.29, 0.59, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.24, support = 4.07, residual support = 109.0: * O T QD2 LEU 23 - QD1 LEU 23 50.000% * 90.6868% (0.24 10.0 10.00 4.46 120.20) = 90.687% kept T QG1 VAL 122 - QD1 LEU 23 50.000% * 9.3132% (0.24 1.0 10.00 0.20 0.02) = 9.313% kept Peak 86 (0.12, 0.99, 22.38 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 87 (0.11, 0.11, 22.44 ppm): 1 diagonal assignment: * QG2 VAL 47 - QG2 VAL 47 (0.92) kept Peak 88 (-0.03, -0.03, 22.35 ppm): 1 diagonal assignment: * QD1 LEU 74 - QD1 LEU 74 (1.00) kept Peak 90 (-0.30, -0.02, 22.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 91 (-0.43, -0.02, 22.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 92 (8.77, 0.96, 22.09 ppm): 8 chemical-shift based assignments, quality = 0.15, support = 3.67, residual support = 24.3: * HN VAL 62 - QG2 VAL 62 12.500% * 73.9092% (0.16 4.64 32.46) = 73.909% kept HN SER 69 - QG2 VAL 73 12.500% * 15.5756% (0.11 1.39 1.88) = 15.576% kept HN PHE 34 - QG2 VAL 62 12.500% * 5.3778% (0.19 0.28 0.02) = 5.378% kept HN THR 95 - QG2 VAL 73 12.500% * 3.8708% (0.16 0.24 0.02) = 3.871% kept HN PHE 34 - QG2 VAL 73 12.500% * 0.4255% (0.21 0.02 0.02) = 0.425% HN VAL 62 - QG2 VAL 73 12.500% * 0.3523% (0.17 0.02 0.02) = 0.352% HN THR 95 - QG2 VAL 62 12.500% * 0.2861% (0.14 0.02 0.02) = 0.286% HN SER 69 - QG2 VAL 62 12.500% * 0.2028% (0.10 0.02 0.02) = 0.203% Peak 93 (8.60, 1.10, 22.30 ppm): 5 chemical-shift based assignments, quality = 0.412, support = 2.25, residual support = 11.6: * HN VAL 80 - QG2 THR 79 20.000% * 48.9911% (0.30 3.53 16.15) = 48.991% kept HN LYS+ 20 - QG2 THR 79 20.000% * 27.6337% (0.71 0.83 1.30) = 27.634% kept HN THR 39 - QG2 THR 79 20.000% * 20.7587% (0.32 1.37 16.04) = 20.759% kept HN VAL 73 - QG2 THR 79 20.000% * 2.4981% (0.20 0.27 0.02) = 2.498% kept HN SER 85 - QG2 THR 79 20.000% * 0.1184% (0.13 0.02 0.02) = 0.118% Peak 94 (8.59, 0.95, 22.22 ppm): 8 chemical-shift based assignments, quality = 0.487, support = 2.2, residual support = 10.8: * HN VAL 73 - QG2 VAL 73 12.500% * 42.0418% (0.44 3.79 24.82) = 42.042% kept HN VAL 80 - QG2 VAL 62 12.500% * 16.5977% (0.53 1.24 0.88) = 16.598% kept HN VAL 80 - QG2 VAL 73 12.500% * 16.0438% (0.53 1.19 0.57) = 16.044% kept HN LYS+ 20 - QG2 VAL 62 12.500% * 15.5997% (0.55 1.13 0.76) = 15.600% kept HN VAL 73 - QG2 VAL 62 12.500% * 5.3579% (0.43 0.49 0.02) = 5.358% kept HN THR 39 - QG2 VAL 62 12.500% * 3.0163% (0.55 0.22 0.02) = 3.016% kept HN LYS+ 20 - QG2 VAL 73 12.500% * 1.0624% (0.55 0.08 0.02) = 1.062% kept HN THR 39 - QG2 VAL 73 12.500% * 0.2804% (0.55 0.02 0.18) = 0.280% Peak 95 (8.45, 4.27, 63.48 ppm): 14 chemical-shift based assignments, quality = 0.348, support = 0.954, residual support = 1.14: * O HN CYS 123 - HA VAL 122 7.143% * 93.7632% (0.35 10.0 1.00 1.21) = 93.763% kept HN ARG+ 53 - HA VAL 122 7.143% * 4.0686% (0.39 1.0 0.40 0.02) = 4.069% kept HN GLY 92 - HB3 SER 49 7.143% * 0.7707% (0.04 1.0 0.69 0.19) = 0.771% HN LEU 74 - HA VAL 122 7.143% * 0.4952% (0.94 1.0 0.02 0.02) = 0.495% HN GLU- 107 - HA VAL 122 7.143% * 0.3628% (0.69 1.0 0.02 0.02) = 0.363% HN GLY 92 - HA VAL 122 7.143% * 0.2432% (0.46 1.0 0.02 0.02) = 0.243% HN LYS+ 113 - HA VAL 122 7.143% * 0.0989% (0.19 1.0 0.02 0.02) = 0.099% HN GLU- 18 - HA VAL 122 7.143% * 0.0676% (0.13 1.0 0.02 0.02) = 0.068% HN LEU 74 - HB3 SER 49 7.143% * 0.0453% (0.09 1.0 0.02 0.71) = 0.045% HN GLU- 107 - HB3 SER 49 7.143% * 0.0332% (0.06 1.0 0.02 0.02) = 0.033% HN ARG+ 53 - HB3 SER 49 7.143% * 0.0188% (0.04 1.0 0.02 0.02) = 0.019% HN CYS 123 - HB3 SER 49 7.143% * 0.0172% (0.03 1.0 0.02 0.02) = 0.017% HN LYS+ 113 - HB3 SER 49 7.143% * 0.0090% (0.02 1.0 0.02 0.02) = 0.009% HN GLU- 18 - HB3 SER 49 7.143% * 0.0062% (0.01 1.0 0.02 0.02) = 0.006% Peak 96 (8.48, 0.93, 22.17 ppm): 18 chemical-shift based assignments, quality = 0.183, support = 1.16, residual support = 2.34: * HN LEU 74 - QG2 VAL 73 5.556% * 22.6479% (0.04 3.76 10.05) = 22.648% kept HN LYS+ 113 - QG2 VAL 73 5.556% * 19.0397% (0.26 0.49 0.02) = 19.040% kept HN GLU- 107 - QG2 VAL 73 5.556% * 14.2803% (0.16 0.60 0.11) = 14.280% kept HN LEU 74 - QG1 VAL 47 5.556% * 9.3439% (0.07 0.86 0.36) = 9.344% kept HN GLY 92 - QG2 VAL 73 5.556% * 8.9522% (0.22 0.27 0.02) = 8.952% kept HN LYS+ 113 - QG2 VAL 62 5.556% * 8.3586% (0.30 0.18 0.02) = 8.359% kept HN LYS+ 113 - QG1 VAL 47 5.556% * 7.5212% (0.47 0.11 0.02) = 7.521% kept HN GLU- 18 - QG1 VAL 47 5.556% * 1.3870% (0.46 0.02 0.02) = 1.387% kept HN GLU- 10 - QG1 VAL 47 5.556% * 1.2274% (0.41 0.02 0.02) = 1.227% kept HN GLY 92 - QG1 VAL 47 5.556% * 1.1819% (0.39 0.02 0.02) = 1.182% kept HN GLU- 18 - QG2 VAL 62 5.556% * 0.8924% (0.29 0.02 0.02) = 0.892% HN GLU- 107 - QG1 VAL 47 5.556% * 0.8583% (0.28 0.02 0.02) = 0.858% HN GLU- 10 - QG2 VAL 62 5.556% * 0.7898% (0.26 0.02 0.02) = 0.790% HN GLU- 18 - QG2 VAL 73 5.556% * 0.7652% (0.25 0.02 0.02) = 0.765% HN LEU 74 - QG2 VAL 62 5.556% * 0.7643% (0.05 0.11 0.02) = 0.764% HN GLY 92 - QG2 VAL 62 5.556% * 0.7605% (0.25 0.02 0.02) = 0.760% HN GLU- 10 - QG2 VAL 73 5.556% * 0.6772% (0.22 0.02 0.02) = 0.677% HN GLU- 107 - QG2 VAL 62 5.556% * 0.5522% (0.18 0.02 0.02) = 0.552% Not enough quality. Peak unassigned. Peak 97 (8.26, 4.06, 63.54 ppm): 32 chemical-shift based assignments, quality = 0.128, support = 3.22, residual support = 11.2: O HN SER 49 - HB2 SER 49 3.125% * 50.8936% (0.11 10.0 4.29 15.22) = 50.894% kept * O HN SER 49 - HB3 SER 49 3.125% * 22.2896% (0.05 10.0 4.02 15.22) = 22.290% kept HN GLU- 12 - HB2 SER 49 3.125% * 4.3744% (0.26 1.0 0.74 0.02) = 4.374% kept HN THR 106 - HB2 SER 49 3.125% * 3.7071% (0.40 1.0 0.41 0.45) = 3.707% kept HN THR 106 - HB3 SER 49 3.125% * 2.8228% (0.17 1.0 0.71 0.45) = 2.823% kept HN ASP- 115 - HB2 SER 49 3.125% * 2.7866% (0.40 1.0 0.30 0.02) = 2.787% kept HN LEU 67 - HB3 SER 49 3.125% * 2.3666% (0.09 1.0 1.12 0.02) = 2.367% kept HN GLY 58 - HB2 SER 49 3.125% * 2.0904% (0.17 1.0 0.56 0.02) = 2.090% kept HN GLU- 12 - HB3 SER 49 3.125% * 1.9015% (0.11 1.0 0.73 0.02) = 1.902% kept HN LEU 67 - HB2 SER 49 3.125% * 1.7730% (0.21 1.0 0.37 0.02) = 1.773% kept HN ASP- 115 - HB3 SER 85 3.125% * 1.4772% (0.22 1.0 0.30 0.02) = 1.477% kept HN LYS+ 81 - HB2 SER 49 3.125% * 1.2034% (0.21 1.0 0.25 0.02) = 1.203% kept HN ASP- 115 - HB3 SER 49 3.125% * 0.9348% (0.18 1.0 0.23 0.02) = 0.935% HN ASP- 115 - HA VAL 125 3.125% * 0.1753% (0.39 1.0 0.02 0.02) = 0.175% HN THR 106 - HA VAL 125 3.125% * 0.1738% (0.38 1.0 0.02 0.02) = 0.174% HN GLU- 12 - HA VAL 125 3.125% * 0.1134% (0.25 1.0 0.02 0.02) = 0.113% HN THR 106 - HB3 SER 85 3.125% * 0.0981% (0.22 1.0 0.02 0.02) = 0.098% HN LYS+ 81 - HA VAL 125 3.125% * 0.0922% (0.20 1.0 0.02 0.02) = 0.092% HN LEU 67 - HA VAL 125 3.125% * 0.0922% (0.20 1.0 0.02 0.02) = 0.092% HN GLY 58 - HA VAL 125 3.125% * 0.0721% (0.16 1.0 0.02 0.02) = 0.072% HN ASN 89 - HB2 SER 49 3.125% * 0.0687% (0.15 1.0 0.02 0.02) = 0.069% HN ASN 89 - HA VAL 125 3.125% * 0.0658% (0.14 1.0 0.02 0.02) = 0.066% HN GLU- 12 - HB3 SER 85 3.125% * 0.0640% (0.14 1.0 0.02 0.02) = 0.064% HN LEU 67 - HB3 SER 85 3.125% * 0.0521% (0.11 1.0 0.02 0.02) = 0.052% HN LYS+ 81 - HB3 SER 85 3.125% * 0.0521% (0.11 1.0 0.02 0.02) = 0.052% HN SER 49 - HA VAL 125 3.125% * 0.0487% (0.11 1.0 0.02 0.02) = 0.049% HN LYS+ 81 - HB3 SER 49 3.125% * 0.0422% (0.09 1.0 0.02 0.02) = 0.042% HN GLY 58 - HB3 SER 85 3.125% * 0.0407% (0.09 1.0 0.02 0.02) = 0.041% HN ASN 89 - HB3 SER 85 3.125% * 0.0371% (0.08 1.0 0.02 0.02) = 0.037% HN GLY 58 - HB3 SER 49 3.125% * 0.0330% (0.07 1.0 0.02 0.02) = 0.033% HN ASN 89 - HB3 SER 49 3.125% * 0.0301% (0.07 1.0 0.02 0.02) = 0.030% HN SER 49 - HB3 SER 85 3.125% * 0.0275% (0.06 1.0 0.02 0.02) = 0.028% Peak 98 (8.25, 3.99, 63.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 99 (8.23, 0.96, 22.08 ppm): 22 chemical-shift based assignments, quality = 0.15, support = 1.1, residual support = 0.65: HN LYS+ 81 - QG2 VAL 73 4.545% * 33.7020% (0.18 1.95 1.30) = 33.702% kept HN LYS+ 81 - QG2 VAL 62 4.545% * 13.7435% (0.16 0.88 0.12) = 13.743% kept HN SER 49 - QG2 VAL 73 4.545% * 9.7835% (0.21 0.49 0.02) = 9.784% kept HN GLU- 45 - QG2 VAL 73 4.545% * 9.7736% (0.09 1.19 1.63) = 9.774% kept HN VAL 94 - QG2 VAL 62 4.545% * 8.4293% (0.13 0.68 0.02) = 8.429% kept * HN GLU- 45 - QG2 VAL 62 4.545% * 5.2143% (0.08 0.70 0.50) = 5.214% kept HN SER 49 - QG2 VAL 62 4.545% * 4.7037% (0.19 0.26 0.02) = 4.704% kept HN THR 106 - QG2 VAL 73 4.545% * 4.0093% (0.06 0.65 0.11) = 4.009% kept HN ALA 11 - QG2 VAL 73 4.545% * 4.0068% (0.10 0.41 0.02) = 4.007% kept HN LEU 67 - QG2 VAL 73 4.545% * 3.7774% (0.18 0.22 0.02) = 3.777% kept HN GLY 58 - QG2 VAL 73 4.545% * 0.3779% (0.20 0.02 0.02) = 0.378% HN GLY 58 - QG2 VAL 62 4.545% * 0.3415% (0.18 0.02 0.02) = 0.341% HN LEU 67 - QG2 VAL 62 4.545% * 0.3131% (0.16 0.02 0.02) = 0.313% HN GLU- 12 - QG2 VAL 73 4.545% * 0.3053% (0.16 0.02 0.02) = 0.305% HN GLU- 12 - QG2 VAL 62 4.545% * 0.2759% (0.14 0.02 0.02) = 0.276% HN VAL 94 - QG2 VAL 73 4.545% * 0.2744% (0.14 0.02 0.02) = 0.274% HN VAL 105 - QG2 VAL 73 4.545% * 0.2584% (0.14 0.02 0.02) = 0.258% HN VAL 105 - QG2 VAL 62 4.545% * 0.2335% (0.12 0.02 0.02) = 0.234% HN ALA 11 - QG2 VAL 62 4.545% * 0.1757% (0.09 0.02 0.02) = 0.176% HN THR 106 - QG2 VAL 62 4.545% * 0.1114% (0.06 0.02 0.02) = 0.111% HN ASP- 115 - QG2 VAL 73 4.545% * 0.0996% (0.05 0.02 0.02) = 0.100% HN ASP- 115 - QG2 VAL 62 4.545% * 0.0900% (0.05 0.02 0.02) = 0.090% Not enough quality. Peak unassigned. Peak 100 (7.85, 0.96, 22.06 ppm): 6 chemical-shift based assignments, quality = 0.0642, support = 2.94, residual support = 16.5: * HN LYS+ 63 - QG2 VAL 62 16.667% * 82.2180% (0.06 3.51 20.03) = 82.218% kept HN THR 38 - QG2 VAL 73 16.667% * 15.0416% (0.11 0.33 0.38) = 15.042% kept HN THR 38 - QG2 VAL 62 16.667% * 0.8328% (0.10 0.02 0.02) = 0.833% HD22 ASN 89 - QG2 VAL 73 16.667% * 0.7286% (0.09 0.02 0.02) = 0.729% HD22 ASN 89 - QG2 VAL 62 16.667% * 0.6684% (0.08 0.02 0.02) = 0.668% HN LYS+ 63 - QG2 VAL 73 16.667% * 0.5106% (0.06 0.02 0.02) = 0.511% Peak 101 (7.51, 0.89, 22.14 ppm): 2 chemical-shift based assignments, quality = 0.562, support = 1.48, residual support = 2.92: * HE3 TRP 51 - QG1 VAL 47 50.000% * 60.6051% (0.65 1.48 4.00) = 60.605% kept HN ASP- 82 - QG1 VAL 47 50.000% * 39.3949% (0.42 1.47 1.25) = 39.395% kept Peak 102 (7.33, 0.90, 22.16 ppm): 6 chemical-shift based assignments, quality = 0.807, support = 3.26, residual support = 28.2: * HN VAL 47 - QG1 VAL 47 16.667% * 32.4079% (0.68 5.35 78.85) = 32.408% kept QD PHE 34 - QG1 VAL 47 16.667% * 20.8500% (0.75 3.12 4.08) = 20.850% kept QE PHE 34 - QG1 VAL 47 16.667% * 19.8061% (0.93 2.39 4.08) = 19.806% kept HZ PHE 34 - QG1 VAL 47 16.667% * 15.6504% (0.93 1.89 4.08) = 15.650% kept HZ2 TRP 51 - QG1 VAL 47 16.667% * 9.1748% (0.93 1.11 4.00) = 9.175% kept HN ARG+ 84 - QG1 VAL 47 16.667% * 2.1108% (0.65 0.37 0.02) = 2.111% kept Peak 103 (6.74, 0.89, 22.15 ppm): 2 chemical-shift based assignments, quality = 0.868, support = 1.31, residual support = 2.52: * T HZ3 TRP 51 - QG1 VAL 47 50.000% * 52.0270% (0.85 10.00 1.39 4.00) = 52.027% kept T QE TYR 83 - QG1 VAL 47 50.000% * 47.9730% (0.89 10.00 1.23 0.91) = 47.973% kept Peak 106 (4.58, 0.95, 22.15 ppm): 6 chemical-shift based assignments, quality = 0.419, support = 1.99, residual support = 12.5: * HA LYS+ 72 - QG2 VAL 73 16.667% * 83.5816% (0.43 2.33 14.86) = 83.582% kept HA LYS+ 72 - QG2 VAL 62 16.667% * 12.1959% (0.42 0.34 0.41) = 12.196% kept HA LYS+ 78 - QG2 VAL 62 16.667% * 2.8918% (0.31 0.11 0.02) = 2.892% kept HA LYS+ 78 - QG2 VAL 73 16.667% * 0.5217% (0.31 0.02 0.02) = 0.522% HA ASP- 25 - QG2 VAL 73 16.667% * 0.4068% (0.24 0.02 0.02) = 0.407% HA ASP- 25 - QG2 VAL 62 16.667% * 0.4022% (0.24 0.02 0.02) = 0.402% Peak 107 (4.51, 4.09, 63.63 ppm): 21 chemical-shift based assignments, quality = 0.141, support = 0.275, residual support = 0.087: HB THR 46 - HB3 SER 49 4.762% * 33.7662% (0.17 0.38 0.02) = 33.766% kept HA SER 77 - HB3 SER 49 4.762% * 23.7272% (0.11 0.40 0.31) = 23.727% kept HA CYS 123 - HA VAL 125 4.762% * 17.8963% (0.14 0.24 0.02) = 17.896% kept HA ALA 103 - HB3 SER 49 4.762% * 3.7342% (0.04 0.16 0.02) = 3.734% kept HA LYS+ 55 - HA VAL 125 4.762% * 2.6656% (0.25 0.02 0.02) = 2.666% kept HB THR 79 - HA VAL 125 4.762% * 2.3906% (0.22 0.02 0.02) = 2.391% kept HB THR 46 - HA VAL 125 4.762% * 2.3122% (0.22 0.02 0.02) = 2.312% kept HA LYS+ 55 - HB3 SER 49 4.762% * 2.0716% (0.19 0.02 0.02) = 2.072% kept HB THR 79 - HB3 SER 49 4.762% * 1.8578% (0.17 0.02 0.02) = 1.858% kept HA SER 77 - HA VAL 125 4.762% * 1.5091% (0.14 0.02 0.02) = 1.509% kept HA LYS+ 55 - HB2 SER 49 4.762% * 1.3038% (0.12 0.02 0.02) = 1.304% kept HA CYS 123 - HB3 SER 49 4.762% * 1.1728% (0.11 0.02 0.02) = 1.173% kept HB THR 79 - HB2 SER 49 4.762% * 1.1693% (0.11 0.02 0.02) = 1.169% kept HB THR 46 - HB2 SER 49 4.762% * 1.1310% (0.11 0.02 0.02) = 1.131% kept HA CYS 123 - HB2 SER 49 4.762% * 0.7382% (0.07 0.02 0.02) = 0.738% HA SER 77 - HB2 SER 49 4.762% * 0.7382% (0.07 0.02 0.31) = 0.738% HA ALA 103 - HA VAL 125 4.762% * 0.5935% (0.06 0.02 0.02) = 0.593% HA LYS+ 32 - HA VAL 125 4.762% * 0.4113% (0.04 0.02 0.02) = 0.411% HA LYS+ 32 - HB3 SER 49 4.762% * 0.3196% (0.03 0.02 0.02) = 0.320% HA ALA 103 - HB2 SER 49 4.762% * 0.2903% (0.03 0.02 0.02) = 0.290% HA LYS+ 32 - HB2 SER 49 4.762% * 0.2012% (0.02 0.02 0.02) = 0.201% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 109 (4.28, 4.28, 63.45 ppm): 1 diagonal assignment: * HA VAL 122 - HA VAL 122 (0.88) kept Peak 110 (4.26, 0.73, 22.10 ppm): 21 chemical-shift based assignments, quality = 0.812, support = 1.35, residual support = 1.13: HA GLU- 75 - QG1 VAL 40 4.762% * 27.7155% (0.98 1.60 0.85) = 27.715% kept HA ASN 76 - QG1 VAL 40 4.762% * 21.9361% (0.78 1.58 2.07) = 21.936% kept HA ASN 119 - QG1 VAL 40 4.762% * 20.7723% (0.82 1.43 1.30) = 20.772% kept HA GLU- 56 - QG1 VAL 40 4.762% * 16.5825% (0.94 0.99 0.53) = 16.583% kept HA PRO 59 - QG1 VAL 40 4.762% * 9.1731% (0.48 1.08 0.92) = 9.173% kept HB3 CYS 121 - QG1 VAL 40 4.762% * 0.9744% (0.30 0.18 0.02) = 0.974% HA GLU- 64 - QG1 VAL 40 4.762% * 0.3478% (0.98 0.02 0.02) = 0.348% HA GLU- 107 - QG1 VAL 40 4.762% * 0.2905% (0.82 0.02 0.02) = 0.290% HA SER 85 - QG1 VAL 40 4.762% * 0.2785% (0.78 0.02 0.02) = 0.278% HA ARG+ 84 - QG1 VAL 40 4.762% * 0.2785% (0.78 0.02 0.02) = 0.278% HA PRO 52 - QG1 VAL 40 4.762% * 0.2785% (0.78 0.02 0.02) = 0.278% HA VAL 94 - QG1 VAL 40 4.762% * 0.2658% (0.75 0.02 0.02) = 0.266% HA ALA 11 - QG1 VAL 40 4.762% * 0.2525% (0.71 0.02 0.02) = 0.253% HA VAL 122 - QG1 VAL 40 4.762% * 0.1969% (0.55 0.02 0.02) = 0.197% HA LEU 90 - QG1 VAL 40 4.762% * 0.1693% (0.48 0.02 0.02) = 0.169% HA LYS+ 108 - QG1 VAL 40 4.762% * 0.0867% (0.24 0.02 0.02) = 0.087% HA GLU- 54 - QG1 VAL 40 4.762% * 0.0867% (0.24 0.02 0.02) = 0.087% HA GLU- 10 - QG1 VAL 40 4.762% * 0.0867% (0.24 0.02 0.02) = 0.087% HB3 SER 49 - QG1 VAL 40 4.762% * 0.0815% (0.23 0.02 0.02) = 0.081% HA THR 106 - QG1 VAL 40 4.762% * 0.0774% (0.22 0.02 0.02) = 0.077% HA CYS 121 - QG1 VAL 40 4.762% * 0.0688% (0.19 0.02 0.02) = 0.069% Peak 112 (4.18, 0.93, 22.12 ppm): 21 chemical-shift based assignments, quality = 0.253, support = 1.69, residual support = 12.3: * O T HA VAL 73 - QG2 VAL 73 4.762% * 49.3529% (0.27 10.0 10.00 2.95 24.82) = 49.353% kept T HB3 SER 49 - QG1 VAL 47 4.762% * 13.0860% (0.23 1.0 10.00 0.63 0.02) = 13.086% kept T HA VAL 73 - QG1 VAL 47 4.762% * 12.2491% (0.26 1.0 10.00 0.53 0.02) = 12.249% kept T HA VAL 73 - QG2 VAL 62 4.762% * 11.8591% (0.30 1.0 10.00 0.44 0.02) = 11.859% kept T HA VAL 105 - QG1 VAL 47 4.762% * 4.9617% (0.13 1.0 10.00 0.41 0.02) = 4.962% kept T HB3 SER 49 - QG2 VAL 62 4.762% * 3.1427% (0.27 1.0 10.00 0.13 0.02) = 3.143% kept T HB3 SER 49 - QG2 VAL 73 4.762% * 2.9009% (0.24 1.0 10.00 0.13 0.02) = 2.901% kept T HA VAL 65 - QG2 VAL 62 4.762% * 0.5380% (0.30 1.0 10.00 0.02 0.02) = 0.538% T HA VAL 65 - QG2 VAL 73 4.762% * 0.4935% (0.27 1.0 10.00 0.02 0.02) = 0.494% T HA VAL 65 - QG1 VAL 47 4.762% * 0.4635% (0.26 1.0 10.00 0.02 0.02) = 0.463% T HA VAL 105 - QG2 VAL 62 4.762% * 0.2837% (0.16 1.0 10.00 0.02 0.02) = 0.284% T HA VAL 105 - QG2 VAL 73 4.762% * 0.2602% (0.14 1.0 10.00 0.02 0.02) = 0.260% T HA VAL 87 - QG2 VAL 62 4.762% * 0.1067% (0.06 1.0 10.00 0.02 0.02) = 0.107% T HA VAL 87 - QG2 VAL 73 4.762% * 0.0979% (0.05 1.0 10.00 0.02 0.02) = 0.098% T HA VAL 87 - QG1 VAL 47 4.762% * 0.0919% (0.05 1.0 10.00 0.02 0.02) = 0.092% HB THR 106 - QG2 VAL 62 4.762% * 0.0284% (0.16 1.0 1.00 0.02 0.02) = 0.028% HB THR 106 - QG2 VAL 73 4.762% * 0.0260% (0.14 1.0 1.00 0.02 0.11) = 0.026% HB THR 106 - QG1 VAL 47 4.762% * 0.0244% (0.13 1.0 1.00 0.02 0.02) = 0.024% HA ASP- 82 - QG2 VAL 62 4.762% * 0.0120% (0.07 1.0 1.00 0.02 0.02) = 0.012% HA ASP- 82 - QG2 VAL 73 4.762% * 0.0110% (0.06 1.0 1.00 0.02 0.02) = 0.011% HA ASP- 82 - QG1 VAL 47 4.762% * 0.0103% (0.06 1.0 1.00 0.02 1.25) = 0.010% Peak 116 (3.85, 0.96, 22.05 ppm): 22 chemical-shift based assignments, quality = 0.0869, support = 0.626, residual support = 0.759: HA GLU- 45 - QG2 VAL 73 4.545% * 39.0104% (0.08 1.00 1.13 1.63) = 39.010% kept * HA GLU- 45 - QG2 VAL 62 4.545% * 23.2211% (0.07 1.00 0.73 0.50) = 23.221% kept T HB2 SER 85 - QG2 VAL 62 4.545% * 10.4255% (0.12 10.00 0.02 0.02) = 10.425% kept T HB3 SER 27 - QG2 VAL 62 4.545% * 6.8500% (0.08 10.00 0.02 0.02) = 6.850% kept HB3 SER 77 - QG2 VAL 73 4.545% * 5.1916% (0.13 1.00 0.10 0.02) = 5.192% kept HB3 SER 77 - QG2 VAL 62 4.545% * 4.9948% (0.11 1.00 0.10 0.02) = 4.995% kept HB3 SER 88 - QG2 VAL 73 4.545% * 1.1855% (0.14 1.00 0.02 0.02) = 1.185% kept HA LYS+ 117 - QG2 VAL 73 4.545% * 1.1365% (0.13 1.00 0.02 0.13) = 1.136% kept HB2 SER 85 - QG2 VAL 73 4.545% * 1.1365% (0.13 1.00 0.02 0.02) = 1.136% kept HB3 SER 88 - QG2 VAL 62 4.545% * 1.0875% (0.13 1.00 0.02 0.02) = 1.088% kept HA2 GLY 114 - QG2 VAL 73 4.545% * 1.0846% (0.13 1.00 0.02 0.02) = 1.085% kept HA LYS+ 117 - QG2 VAL 62 4.545% * 1.0425% (0.12 1.00 0.02 0.02) = 1.043% kept HA2 GLY 114 - QG2 VAL 62 4.545% * 0.9950% (0.11 1.00 0.02 0.02) = 0.995% HB3 SER 27 - QG2 VAL 73 4.545% * 0.7467% (0.09 1.00 0.02 0.02) = 0.747% HA2 GLY 92 - QG2 VAL 73 4.545% * 0.3539% (0.04 1.00 0.02 0.02) = 0.354% HA2 GLY 92 - QG2 VAL 62 4.545% * 0.3247% (0.04 1.00 0.02 0.02) = 0.325% HD3 PRO 35 - QG2 VAL 73 4.545% * 0.2486% (0.03 1.00 0.02 0.02) = 0.249% HD3 PRO 35 - QG2 VAL 62 4.545% * 0.2280% (0.03 1.00 0.02 0.02) = 0.228% HD3 PRO 116 - QG2 VAL 73 4.545% * 0.1921% (0.02 1.00 0.02 0.02) = 0.192% HD2 PRO 116 - QG2 VAL 73 4.545% * 0.1921% (0.02 1.00 0.02 0.02) = 0.192% HD2 PRO 116 - QG2 VAL 62 4.545% * 0.1762% (0.02 1.00 0.02 0.02) = 0.176% HD3 PRO 116 - QG2 VAL 62 4.545% * 0.1762% (0.02 1.00 0.02 0.02) = 0.176% Not enough quality. Peak unassigned. Peak 119 (3.72, -0.04, 22.26 ppm): 5 chemical-shift based assignments, quality = 0.681, support = 3.58, residual support = 39.5: * T HB3 SER 69 - QD1 LEU 74 20.000% * 93.9981% (0.70 10.00 3.76 42.02) = 93.998% kept HA LYS+ 81 - QD1 LEU 74 20.000% * 3.1481% (0.45 1.00 1.05 0.32) = 3.148% kept HA LEU 43 - QD1 LEU 74 20.000% * 2.1042% (0.41 1.00 0.76 1.31) = 2.104% kept HB2 TRP 51 - QD1 LEU 74 20.000% * 0.7252% (0.38 1.00 0.29 0.02) = 0.725% HD3 PRO 104 - QD1 LEU 74 20.000% * 0.0243% (0.18 1.00 0.02 0.02) = 0.024% Peak 126 (3.59, 3.58, 63.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 132 (3.45, 0.96, 22.08 ppm): 12 chemical-shift based assignments, quality = 0.189, support = 1.94, residual support = 13.2: * O T HA VAL 62 - QG2 VAL 62 8.333% * 39.2682% (0.18 10.0 10.00 2.95 32.46) = 39.268% kept T HA VAL 80 - QG2 VAL 73 8.333% * 29.0507% (0.20 1.0 10.00 1.33 0.57) = 29.051% kept T HA VAL 80 - QG2 VAL 62 8.333% * 28.2974% (0.19 1.0 10.00 1.40 0.88) = 28.297% kept T HA VAL 62 - QG2 VAL 73 8.333% * 2.3664% (0.20 1.0 10.00 0.11 0.02) = 2.366% kept T HA VAL 40 - QG2 VAL 73 8.333% * 0.4481% (0.21 1.0 10.00 0.02 0.02) = 0.448% T HA VAL 40 - QG2 VAL 62 8.333% * 0.4142% (0.19 1.0 10.00 0.02 0.02) = 0.414% HD3 PRO 31 - QG2 VAL 73 8.333% * 0.0306% (0.14 1.0 1.00 0.02 0.02) = 0.031% HD3 PRO 31 - QG2 VAL 62 8.333% * 0.0283% (0.13 1.0 1.00 0.02 0.02) = 0.028% HA ILE 48 - QG2 VAL 73 8.333% * 0.0268% (0.12 1.0 1.00 0.02 0.02) = 0.027% HA ILE 48 - QG2 VAL 62 8.333% * 0.0248% (0.12 1.0 1.00 0.02 9.49) = 0.025% HA1 GLY 71 - QG2 VAL 73 8.333% * 0.0231% (0.11 1.0 1.00 0.02 0.02) = 0.023% HA1 GLY 71 - QG2 VAL 62 8.333% * 0.0213% (0.10 1.0 1.00 0.02 0.24) = 0.021% Peak 133 (3.45, 0.73, 22.14 ppm): 6 chemical-shift based assignments, quality = 0.965, support = 3.89, residual support = 42.4: * O T HA VAL 40 - QG1 VAL 40 16.667% * 98.4455% (0.98 10.0 10.00 3.95 43.10) = 98.446% kept T HA VAL 62 - QG1 VAL 40 16.667% * 0.8389% (0.84 1.0 10.00 0.02 0.02) = 0.839% T HA ILE 48 - QG1 VAL 40 16.667% * 0.4889% (0.49 1.0 10.00 0.02 0.02) = 0.489% HA VAL 80 - QG1 VAL 40 16.667% * 0.0969% (0.96 1.0 1.00 0.02 0.12) = 0.097% HD3 PRO 31 - QG1 VAL 40 16.667% * 0.0729% (0.73 1.0 1.00 0.02 0.02) = 0.073% HA1 GLY 71 - QG1 VAL 40 16.667% * 0.0569% (0.57 1.0 1.00 0.02 0.02) = 0.057% Peak 138 (3.08, 0.89, 22.12 ppm): 3 chemical-shift based assignments, quality = 0.759, support = 3.87, residual support = 77.5: * O T HA VAL 47 - QG1 VAL 47 33.333% * 98.2068% (0.77 10.0 10.00 3.91 78.85) = 98.207% kept HB3 TRP 51 - QG1 VAL 47 33.333% * 1.7638% (0.16 1.0 1.00 1.71 4.00) = 1.764% kept HB3 ASP- 25 - QG1 VAL 47 33.333% * 0.0293% (0.23 1.0 1.00 0.02 0.02) = 0.029% Peak 139 (2.84, 0.93, 22.15 ppm): 9 chemical-shift based assignments, quality = 0.275, support = 0.271, residual support = 0.0225: HB3 ASN 76 - QG2 VAL 62 11.111% * 36.8875% (0.31 0.32 0.02) = 36.887% kept HB3 ASN 76 - QG2 VAL 73 11.111% * 31.0785% (0.28 0.30 0.02) = 31.079% kept HB3 ASN 119 - QG2 VAL 62 11.111% * 17.6969% (0.17 0.29 0.02) = 17.697% kept HB3 ASN 76 - QG1 VAL 47 11.111% * 10.7225% (0.37 0.08 0.02) = 10.722% kept HB3 ASN 119 - QG1 VAL 47 11.111% * 1.4375% (0.19 0.02 0.21) = 1.437% kept HB3 ASN 119 - QG2 VAL 73 11.111% * 1.0803% (0.15 0.02 0.02) = 1.080% kept HB3 ASN 89 - QG1 VAL 47 11.111% * 0.4216% (0.06 0.02 0.02) = 0.422% HB3 ASN 89 - QG2 VAL 62 11.111% * 0.3585% (0.05 0.02 0.02) = 0.359% HB3 ASN 89 - QG2 VAL 73 11.111% * 0.3168% (0.04 0.02 0.02) = 0.317% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 140 (2.48, 0.73, 22.13 ppm): 6 chemical-shift based assignments, quality = 0.933, support = 3.95, residual support = 42.6: O HB VAL 40 - QG1 VAL 40 16.667% * 98.7486% (0.94 10.0 4.00 43.10) = 98.749% kept HG3 MET 118 - QG1 VAL 40 16.667% * 0.6531% (0.87 1.0 0.14 0.02) = 0.653% HG3 PRO 35 - QG1 VAL 40 16.667% * 0.4942% (0.87 1.0 0.11 0.02) = 0.494% HG2 PRO 112 - QG1 VAL 40 16.667% * 0.0442% (0.42 1.0 0.02 0.02) = 0.044% HG3 GLU- 45 - QG1 VAL 40 16.667% * 0.0392% (0.37 1.0 0.02 0.02) = 0.039% HB3 PRO 59 - QG1 VAL 40 16.667% * 0.0207% (0.20 1.0 0.02 0.92) = 0.021% Peak 142 (2.46, 0.96, 22.04 ppm): 10 chemical-shift based assignments, quality = 0.111, support = 0.725, residual support = 0.984: HG3 GLU- 45 - QG2 VAL 73 10.000% * 48.5716% (0.14 0.93 1.63) = 48.572% kept * HG3 GLU- 45 - QG2 VAL 62 10.000% * 23.0855% (0.12 0.50 0.50) = 23.086% kept HG2 PRO 112 - QG2 VAL 73 10.000% * 16.3980% (0.07 0.65 0.41) = 16.398% kept HG2 PRO 112 - QG2 VAL 62 10.000% * 10.8969% (0.06 0.49 0.10) = 10.897% kept HB VAL 40 - QG2 VAL 73 10.000% * 0.2332% (0.03 0.02 0.02) = 0.233% HB VAL 40 - QG2 VAL 62 10.000% * 0.2060% (0.03 0.02 0.02) = 0.206% HG3 PRO 35 - QG2 VAL 73 10.000% * 0.1616% (0.02 0.02 0.02) = 0.162% HG3 MET 118 - QG2 VAL 73 10.000% * 0.1616% (0.02 0.02 0.02) = 0.162% HG3 MET 118 - QG2 VAL 62 10.000% * 0.1428% (0.02 0.02 0.02) = 0.143% HG3 PRO 35 - QG2 VAL 62 10.000% * 0.1428% (0.02 0.02 0.02) = 0.143% Not enough quality. Peak unassigned. Peak 143 (2.23, 4.28, 63.44 ppm): 28 chemical-shift based assignments, quality = 0.638, support = 0.769, residual support = 4.55: T HB2 PRO 52 - HA VAL 122 3.571% * 67.2318% (0.92 10.00 0.52 1.73) = 67.232% kept T HB2 GLU- 50 - HB3 SER 49 3.571% * 15.8134% (0.07 10.00 1.65 17.80) = 15.813% kept T HB3 GLU- 45 - HB3 SER 49 3.571% * 12.1243% (0.06 10.00 1.32 4.72) = 12.124% kept T HG3 GLU- 10 - HB3 SER 49 3.571% * 1.2810% (0.06 10.00 0.16 0.02) = 1.281% kept HG3 GLN 102 - HB3 SER 49 3.571% * 0.6184% (0.08 1.00 0.56 0.68) = 0.618% HG2 PRO 112 - HA VAL 122 3.571% * 0.2614% (0.92 1.00 0.02 0.02) = 0.261% HG3 GLU- 109 - HA VAL 122 3.571% * 0.2610% (0.92 1.00 0.02 0.02) = 0.261% HG3 GLN 102 - HA VAL 122 3.571% * 0.2525% (0.89 1.00 0.02 0.02) = 0.252% HG3 GLU- 18 - HA VAL 122 3.571% * 0.2346% (0.83 1.00 0.02 0.02) = 0.235% T HG3 GLU- 109 - HB3 SER 49 3.571% * 0.2293% (0.08 10.00 0.02 0.02) = 0.229% HB2 GLU- 50 - HA VAL 122 3.571% * 0.2185% (0.77 1.00 0.02 0.02) = 0.219% HB3 GLU- 45 - HA VAL 122 3.571% * 0.2095% (0.74 1.00 0.02 0.02) = 0.209% HA1 GLY 58 - HA VAL 122 3.571% * 0.1900% (0.67 1.00 0.02 0.02) = 0.190% HG3 GLN 16 - HA VAL 122 3.571% * 0.1900% (0.67 1.00 0.02 0.02) = 0.190% HG3 MET 97 - HA VAL 122 3.571% * 0.1900% (0.67 1.00 0.02 0.02) = 0.190% HG3 GLU- 10 - HA VAL 122 3.571% * 0.1797% (0.63 1.00 0.02 0.02) = 0.180% HG3 MET 126 - HA VAL 122 3.571% * 0.1587% (0.56 1.00 0.02 0.02) = 0.159% HB3 ASN 15 - HA VAL 122 3.571% * 0.1376% (0.49 1.00 0.02 0.02) = 0.138% HG3 GLU- 107 - HA VAL 122 3.571% * 0.0404% (0.14 1.00 0.02 0.02) = 0.040% T HG3 GLU- 107 - HB3 SER 49 3.571% * 0.0355% (0.01 10.00 0.02 0.02) = 0.035% HG2 PRO 112 - HB3 SER 49 3.571% * 0.0230% (0.08 1.00 0.02 0.02) = 0.023% HB2 PRO 52 - HB3 SER 49 3.571% * 0.0229% (0.08 1.00 0.02 0.02) = 0.023% HG3 GLU- 18 - HB3 SER 49 3.571% * 0.0206% (0.07 1.00 0.02 0.02) = 0.021% HG3 GLN 16 - HB3 SER 49 3.571% * 0.0167% (0.06 1.00 0.02 0.13) = 0.017% HA1 GLY 58 - HB3 SER 49 3.571% * 0.0167% (0.06 1.00 0.02 0.02) = 0.017% HG3 MET 97 - HB3 SER 49 3.571% * 0.0167% (0.06 1.00 0.02 0.02) = 0.017% HG3 MET 126 - HB3 SER 49 3.571% * 0.0139% (0.05 1.00 0.02 0.02) = 0.014% HB3 ASN 15 - HB3 SER 49 3.571% * 0.0121% (0.04 1.00 0.02 0.02) = 0.012% Peak 144 (2.04, 0.95, 22.08 ppm): 26 chemical-shift based assignments, quality = 0.133, support = 0.768, residual support = 5.79: T HG2 PRO 112 - QG2 VAL 73 3.846% * 20.0585% (0.16 1.0 10.00 0.65 0.41) = 20.058% kept T HB3 GLU- 64 - QG2 VAL 62 3.846% * 16.5588% (0.13 1.0 10.00 0.66 3.42) = 16.559% kept * O T HB VAL 62 - QG2 VAL 62 3.846% * 15.4993% (0.04 10.0 10.00 2.16 32.46) = 15.499% kept T HG2 PRO 112 - QG2 VAL 62 3.846% * 14.2602% (0.15 1.0 10.00 0.49 0.10) = 14.260% kept T HG3 PRO 86 - QG2 VAL 73 3.846% * 9.6940% (0.22 1.0 10.00 0.22 0.02) = 9.694% kept T HB3 GLU- 75 - QG2 VAL 73 3.846% * 7.5832% (0.15 1.0 10.00 0.26 0.02) = 7.583% kept HB2 GLU- 45 - QG2 VAL 73 3.846% * 4.5711% (0.20 1.0 1.00 1.17 1.63) = 4.571% kept T HG2 PRO 116 - QG2 VAL 73 3.846% * 3.0478% (0.07 1.0 10.00 0.23 0.02) = 3.048% kept T HB3 GLU- 75 - QG2 VAL 62 3.846% * 2.8117% (0.14 1.0 10.00 0.10 0.02) = 2.812% kept HB2 GLU- 45 - QG2 VAL 62 3.846% * 2.7086% (0.19 1.0 1.00 0.73 0.50) = 2.709% kept T HB3 LYS+ 110 - QG2 VAL 62 3.846% * 0.8541% (0.22 1.0 10.00 0.02 0.02) = 0.854% T HG3 PRO 86 - QG2 VAL 62 3.846% * 0.8170% (0.21 1.0 10.00 0.02 0.02) = 0.817% T HB3 GLU- 64 - QG2 VAL 73 3.846% * 0.5300% (0.14 1.0 10.00 0.02 0.02) = 0.530% T HG2 PRO 116 - QG2 VAL 62 3.846% * 0.2461% (0.06 1.0 10.00 0.02 0.02) = 0.246% T HB VAL 62 - QG2 VAL 73 3.846% * 0.1640% (0.04 1.0 10.00 0.02 0.02) = 0.164% HB3 LYS+ 110 - QG2 VAL 73 3.846% * 0.0904% (0.23 1.0 1.00 0.02 0.02) = 0.090% HG3 GLU- 64 - QG2 VAL 73 3.846% * 0.0680% (0.17 1.0 1.00 0.02 0.02) = 0.068% HB3 GLU- 54 - QG2 VAL 73 3.846% * 0.0643% (0.16 1.0 1.00 0.02 0.02) = 0.064% HG3 GLU- 64 - QG2 VAL 62 3.846% * 0.0643% (0.16 1.0 1.00 0.02 3.42) = 0.064% HB3 GLU- 54 - QG2 VAL 62 3.846% * 0.0608% (0.16 1.0 1.00 0.02 0.02) = 0.061% HB3 GLU- 10 - QG2 VAL 73 3.846% * 0.0530% (0.14 1.0 1.00 0.02 0.02) = 0.053% HB3 GLU- 10 - QG2 VAL 62 3.846% * 0.0501% (0.13 1.0 1.00 0.02 0.02) = 0.050% HB3 PRO 31 - QG2 VAL 73 3.846% * 0.0456% (0.12 1.0 1.00 0.02 0.02) = 0.046% HB3 PRO 31 - QG2 VAL 62 3.846% * 0.0431% (0.11 1.0 1.00 0.02 0.02) = 0.043% HB3 GLU- 107 - QG2 VAL 73 3.846% * 0.0289% (0.07 1.0 1.00 0.02 0.11) = 0.029% HB3 GLU- 107 - QG2 VAL 62 3.846% * 0.0273% (0.07 1.0 1.00 0.02 0.02) = 0.027% Peak 145 (1.66, 4.28, 63.54 ppm): 20 chemical-shift based assignments, quality = 0.926, support = 1.28, residual support = 1.48: T HG3 ARG+ 84 - HA VAL 122 5.000% * 95.7201% (0.95 10.00 1.34 1.53) = 95.720% kept T HB3 MET 126 - HA VAL 122 5.000% * 1.3295% (0.88 10.00 0.02 0.02) = 1.329% kept T HG2 PRO 52 - HA VAL 122 5.000% * 1.0855% (0.17 10.00 0.08 1.73) = 1.086% kept T HB3 MET 126 - HB3 SER 49 5.000% * 1.0088% (0.05 10.00 0.26 0.02) = 1.009% kept HB3 LYS+ 66 - HA VAL 122 5.000% * 0.1479% (0.98 1.00 0.02 0.02) = 0.148% HB ILE 100 - HA VAL 122 5.000% * 0.1469% (0.98 1.00 0.02 0.02) = 0.147% HB3 MET 97 - HA VAL 122 5.000% * 0.1402% (0.93 1.00 0.02 0.02) = 0.140% HB3 LYS+ 81 - HA VAL 122 5.000% * 0.1133% (0.75 1.00 0.02 0.02) = 0.113% T HG3 ARG+ 84 - HB3 SER 49 5.000% * 0.0824% (0.05 10.00 0.02 0.02) = 0.082% HG2 ARG+ 22 - HA VAL 122 5.000% * 0.0722% (0.48 1.00 0.02 0.02) = 0.072% HD3 LYS+ 55 - HA VAL 122 5.000% * 0.0556% (0.37 1.00 0.02 0.02) = 0.056% HG13 ILE 19 - HA VAL 122 5.000% * 0.0412% (0.27 1.00 0.02 0.02) = 0.041% T HG2 PRO 52 - HB3 SER 49 5.000% * 0.0150% (0.01 10.00 0.02 0.02) = 0.015% HB3 LYS+ 66 - HB3 SER 49 5.000% * 0.0085% (0.06 1.00 0.02 0.02) = 0.009% HB ILE 100 - HB3 SER 49 5.000% * 0.0085% (0.06 1.00 0.02 1.46) = 0.008% HB3 MET 97 - HB3 SER 49 5.000% * 0.0081% (0.05 1.00 0.02 0.02) = 0.008% HB3 LYS+ 81 - HB3 SER 49 5.000% * 0.0065% (0.04 1.00 0.02 0.02) = 0.007% HG2 ARG+ 22 - HB3 SER 49 5.000% * 0.0042% (0.03 1.00 0.02 0.02) = 0.004% HD3 LYS+ 55 - HB3 SER 49 5.000% * 0.0032% (0.02 1.00 0.02 0.02) = 0.003% HG13 ILE 19 - HB3 SER 49 5.000% * 0.0024% (0.02 1.00 0.02 0.02) = 0.002% Peak 147 (1.19, -0.03, 22.24 ppm): 6 chemical-shift based assignments, quality = 0.708, support = 5.93, residual support = 149.1: * O HB2 LEU 74 - QD1 LEU 74 16.667% * 93.2717% (0.75 10.0 6.19 158.96) = 93.272% kept HB2 LEU 67 - QD1 LEU 74 16.667% * 4.7134% (0.22 1.0 3.39 17.09) = 4.713% kept HB2 LEU 43 - QD1 LEU 74 16.667% * 0.9568% (0.37 1.0 0.42 1.31) = 0.957% HG3 PRO 59 - QD1 LEU 74 16.667% * 0.7318% (0.20 1.0 0.59 1.53) = 0.732% QG2 THR 106 - QD1 LEU 74 16.667% * 0.3090% (0.47 1.0 0.11 0.02) = 0.309% HB3 ARG+ 22 - QD1 LEU 74 16.667% * 0.0172% (0.14 1.0 0.02 0.02) = 0.017% Peak 150 (0.90, -0.03, 22.25 ppm): 10 chemical-shift based assignments, quality = 0.817, support = 2.75, residual support = 9.4: * QD1 LEU 67 - QD1 LEU 74 10.000% * 32.5999% (0.89 3.59 17.09) = 32.600% kept QG2 VAL 40 - QD1 LEU 74 10.000% * 31.4709% (0.91 3.41 11.48) = 31.471% kept HG3 LYS+ 117 - QD1 LEU 74 10.000% * 10.2787% (0.86 1.17 1.02) = 10.279% kept QG1 VAL 47 - QD1 LEU 74 10.000% * 10.1993% (0.91 1.10 0.36) = 10.199% kept HG12 ILE 68 - QD1 LEU 74 10.000% * 6.7787% (0.20 3.29 1.07) = 6.779% kept QG1 VAL 80 - QD1 LEU 74 10.000% * 4.9744% (0.73 0.67 0.02) = 4.974% kept QG2 VAL 80 - QD1 LEU 74 10.000% * 2.5119% (0.34 0.72 0.02) = 2.512% kept QG2 VAL 125 - QD1 LEU 74 10.000% * 0.9499% (0.41 0.23 0.02) = 0.950% QG2 VAL 87 - QD1 LEU 74 10.000% * 0.1847% (0.91 0.02 0.02) = 0.185% HG3 LYS+ 110 - QD1 LEU 74 10.000% * 0.0515% (0.25 0.02 0.02) = 0.051% Peak 154 (0.12, 0.90, 22.11 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 3.73, residual support = 78.9: * O T QG2 VAL 47 - QG1 VAL 47 100.000% *100.0000% (0.98 10.0 10.00 3.73 78.85) = 100.000% kept Peak 155 (-0.03, 0.72, 22.14 ppm): 1 chemical-shift based assignment, quality = 0.88, support = 2.66, residual support = 11.5: T QD1 LEU 74 - QG1 VAL 40 100.000% *100.0000% (0.88 10.00 2.66 11.48) = 100.000% kept Peak 157 (8.96, 0.70, 21.70 ppm): 12 chemical-shift based assignments, quality = 0.519, support = 1.99, residual support = 5.69: HN LEU 17 - QG2 VAL 94 8.333% * 20.0303% (0.73 2.11 7.18) = 20.030% kept * HN MET 97 - QG2 THR 96 8.333% * 17.6724% (0.55 2.46 4.71) = 17.672% kept HN THR 96 - QG2 THR 96 8.333% * 14.8666% (0.31 3.62 20.95) = 14.867% kept HN ILE 19 - QG2 VAL 94 8.333% * 13.4031% (0.54 1.90 0.38) = 13.403% kept HN THR 96 - QG2 VAL 94 8.333% * 9.0572% (0.42 1.65 0.56) = 9.057% kept HN LEU 17 - QG2 THR 96 8.333% * 7.8552% (0.54 1.10 0.22) = 7.855% kept HN ARG+ 22 - QG2 VAL 94 8.333% * 4.9193% (0.48 0.78 0.02) = 4.919% kept HN PHE 21 - QG2 VAL 94 8.333% * 3.2791% (0.33 0.75 0.02) = 3.279% kept HN ILE 19 - QG2 THR 96 8.333% * 3.1981% (0.40 0.61 5.70) = 3.198% kept HN MET 97 - QG2 VAL 94 8.333% * 2.4816% (0.74 0.26 0.02) = 2.482% kept HN ARG+ 22 - QG2 THR 96 8.333% * 2.0447% (0.36 0.44 0.02) = 2.045% kept HN PHE 21 - QG2 THR 96 8.333% * 1.1924% (0.25 0.37 0.02) = 1.192% kept Peak 158 (8.78, 1.11, 21.74 ppm): 12 chemical-shift based assignments, quality = 0.17, support = 4.02, residual support = 20.4: * HN THR 95 - QG2 THR 95 8.333% * 45.8162% (0.18 4.82 30.01) = 45.816% kept HN VAL 62 - QG2 THR 61 8.333% * 36.9310% (0.14 4.75 18.09) = 36.931% kept HN THR 95 - QG2 THR 61 8.333% * 5.2170% (0.38 0.26 0.02) = 5.217% kept HN PHE 34 - QG2 THR 61 8.333% * 4.1302% (0.22 0.35 0.02) = 4.130% kept HN THR 95 - QG2 THR 79 8.333% * 3.0406% (0.14 0.41 0.02) = 3.041% kept HN VAL 62 - QG2 THR 79 8.333% * 2.1287% (0.05 0.76 0.44) = 2.129% kept HN SER 69 - QG2 THR 95 8.333% * 1.5846% (0.16 0.19 0.02) = 1.585% kept HN SER 69 - QG2 THR 79 8.333% * 0.5252% (0.12 0.08 0.02) = 0.525% HN SER 69 - QG2 THR 61 8.333% * 0.3594% (0.33 0.02 0.02) = 0.359% HN PHE 34 - QG2 THR 95 8.333% * 0.1097% (0.10 0.02 0.02) = 0.110% HN PHE 34 - QG2 THR 79 8.333% * 0.0848% (0.08 0.02 0.02) = 0.085% HN VAL 62 - QG2 THR 95 8.333% * 0.0727% (0.07 0.02 0.02) = 0.073% Peak 159 (8.79, 0.69, 21.70 ppm): 8 chemical-shift based assignments, quality = 0.736, support = 4.09, residual support = 20.0: * HN THR 95 - QG2 VAL 94 12.500% * 76.4303% (0.82 4.71 22.32) = 76.430% kept HN THR 95 - QG2 THR 96 12.500% * 16.5123% (0.29 2.86 17.52) = 16.512% kept HN SER 69 - QG2 VAL 94 12.500% * 6.0087% (0.95 0.32 0.02) = 6.009% kept HN ASN 57 - QG2 VAL 94 12.500% * 0.7953% (0.20 0.21 0.02) = 0.795% HN SER 69 - QG2 THR 96 12.500% * 0.1336% (0.34 0.02 0.02) = 0.134% HN PHE 34 - QG2 VAL 94 12.500% * 0.0681% (0.17 0.02 0.02) = 0.068% HN ASN 57 - QG2 THR 96 12.500% * 0.0274% (0.07 0.02 0.02) = 0.027% HN PHE 34 - QG2 THR 96 12.500% * 0.0243% (0.06 0.02 0.02) = 0.024% Peak 160 (8.61, 0.68, 21.70 ppm): 8 chemical-shift based assignments, quality = 0.619, support = 2.41, residual support = 3.22: * HN LYS+ 20 - QG2 VAL 94 12.500% * 71.5062% (0.78 2.70 4.01) = 71.506% kept HN LYS+ 20 - QG2 THR 96 12.500% * 19.4323% (0.24 2.36 1.81) = 19.432% kept HN VAL 80 - QG2 VAL 94 12.500% * 3.2992% (0.19 0.50 0.02) = 3.299% kept HN THR 39 - QG2 VAL 94 12.500% * 1.7429% (0.22 0.24 0.02) = 1.743% kept HN SER 85 - QG2 VAL 94 12.500% * 1.4864% (0.36 0.12 0.02) = 1.486% kept HN SER 85 - QG2 THR 96 12.500% * 1.1425% (0.11 0.30 0.51) = 1.143% kept HN THR 39 - QG2 THR 96 12.500% * 0.8131% (0.07 0.36 0.02) = 0.813% HN VAL 80 - QG2 THR 96 12.500% * 0.5775% (0.06 0.28 0.02) = 0.577% Peak 161 (8.27, 1.17, 21.82 ppm): 5 chemical-shift based assignments, quality = 0.475, support = 2.42, residual support = 17.9: * HN THR 106 - QG2 THR 106 20.000% * 96.3545% (0.48 2.52 18.53) = 96.355% kept HN ASN 89 - QG2 THR 106 20.000% * 1.4886% (0.93 0.02 0.02) = 1.489% kept HN ASP- 28 - QG2 THR 106 20.000% * 0.9545% (0.60 0.02 0.02) = 0.954% HN ASP- 115 - QG2 THR 106 20.000% * 0.8909% (0.56 0.02 0.02) = 0.891% HN ALA 91 - QG2 THR 106 20.000% * 0.3114% (0.19 0.02 0.02) = 0.311% Peak 162 (7.99, -0.11, 21.90 ppm): 4 chemical-shift based assignments, quality = 0.92, support = 7.3, residual support = 165.3: * HN LEU 43 - QD1 LEU 43 25.000% * 91.9022% (0.95 7.86 179.85) = 91.902% kept HN MET 126 - QD1 LEU 43 25.000% * 7.8245% (0.63 1.01 0.28) = 7.824% kept HN LYS+ 111 - QD1 LEU 43 25.000% * 0.2202% (0.22 0.08 0.02) = 0.220% HN SER 27 - QD1 LEU 43 25.000% * 0.0531% (0.22 0.02 0.02) = 0.053% Peak 163 (7.80, 1.32, 21.76 ppm): 5 chemical-shift based assignments, quality = 0.663, support = 4.08, residual support = 21.3: * HN THR 46 - QG2 THR 46 20.000% * 85.1841% (0.65 4.73 25.02) = 85.184% kept HN VAL 87 - QG2 THR 46 20.000% * 9.4640% (0.69 0.49 0.02) = 9.464% kept HN ALA 93 - QG2 THR 46 20.000% * 4.8083% (1.00 0.17 0.02) = 4.808% kept HN LYS+ 55 - QG2 THR 46 20.000% * 0.4461% (0.80 0.02 0.02) = 0.446% HN LYS+ 63 - QG2 THR 46 20.000% * 0.0976% (0.17 0.02 0.02) = 0.098% Peak 164 (7.44, 1.12, 21.77 ppm): 3 chemical-shift based assignments, quality = 0.295, support = 2.45, residual support = 15.5: * HN THR 61 - QG2 THR 61 33.333% * 87.7987% (0.32 2.65 17.56) = 87.799% kept HN THR 61 - QG2 THR 79 33.333% * 12.0693% (0.11 1.03 0.80) = 12.069% kept HN THR 61 - QG2 THR 95 33.333% * 0.1320% (0.06 0.02 0.02) = 0.132% Peak 165 (7.34, 1.32, 21.79 ppm): 7 chemical-shift based assignments, quality = 0.648, support = 2.28, residual support = 5.9: * HN VAL 47 - QG2 THR 46 14.286% * 30.8005% (0.37 4.31 15.02) = 30.801% kept QE PHE 34 - QG2 THR 46 14.286% * 24.0785% (0.89 1.41 2.07) = 24.078% kept HZ PHE 34 - QG2 THR 46 14.286% * 20.9586% (0.89 1.23 2.07) = 20.959% kept QD PHE 34 - QG2 THR 46 14.286% * 16.6539% (0.44 1.95 2.07) = 16.654% kept HZ2 TRP 51 - QG2 THR 46 14.286% * 6.6354% (0.89 0.39 0.02) = 6.635% kept HE22 GLN 102 - QG2 THR 46 14.286% * 0.7434% (0.25 0.16 0.02) = 0.743% HN ARG+ 84 - QG2 THR 46 14.286% * 0.1298% (0.34 0.02 0.02) = 0.130% Peak 166 (7.34, -0.11, 21.86 ppm): 7 chemical-shift based assignments, quality = 0.857, support = 4.56, residual support = 29.8: * QE PHE 34 - QD1 LEU 43 14.286% * 37.2909% (0.96 5.00 31.80) = 37.291% kept HZ PHE 34 - QD1 LEU 43 14.286% * 31.8566% (0.96 4.28 31.80) = 31.857% kept QD PHE 34 - QD1 LEU 43 14.286% * 24.4277% (0.59 5.30 31.80) = 24.428% kept HZ2 TRP 51 - QD1 LEU 43 14.286% * 3.6211% (0.96 0.49 0.02) = 3.621% kept HN VAL 47 - QD1 LEU 43 14.286% * 2.6037% (0.52 0.65 0.53) = 2.604% kept HE22 GLN 102 - QD1 LEU 43 14.286% * 0.1260% (0.15 0.11 0.02) = 0.126% HN ARG+ 84 - QD1 LEU 43 14.286% * 0.0740% (0.48 0.02 0.02) = 0.074% Peak 167 (7.05, 1.32, 21.79 ppm): 2 chemical-shift based assignments, quality = 0.859, support = 2.17, residual support = 4.34: * T QE PHE 21 - QG2 THR 46 50.000% * 98.3474% (0.86 10.00 2.20 4.41) = 98.347% kept QD TYR 83 - QG2 THR 46 50.000% * 1.6526% (0.89 1.00 0.33 0.02) = 1.653% kept Peak 168 (7.04, -0.10, 21.91 ppm): 2 chemical-shift based assignments, quality = 0.964, support = 3.62, residual support = 22.5: * T QE PHE 21 - QD1 LEU 43 50.000% * 98.3105% (0.97 10.00 3.67 22.91) = 98.310% kept QD TYR 83 - QD1 LEU 43 50.000% * 1.6895% (0.59 1.00 0.57 0.02) = 1.690% kept Peak 169 (6.87, -0.11, 21.86 ppm): 4 chemical-shift based assignments, quality = 0.626, support = 3.03, residual support = 17.9: QD PHE 21 - QD1 LEU 43 25.000% * 43.0171% (0.55 4.16 22.91) = 43.017% kept * HZ PHE 21 - QD1 LEU 43 25.000% * 32.9847% (0.67 2.63 22.91) = 32.985% kept HD21 ASN 119 - QD1 LEU 43 25.000% * 22.7153% (0.74 1.63 2.01) = 22.715% kept HD22 ASN 15 - QD1 LEU 43 25.000% * 1.2829% (0.19 0.35 0.02) = 1.283% kept Peak 170 (4.84, 0.70, 21.72 ppm): 8 chemical-shift based assignments, quality = 0.414, support = 2.65, residual support = 18.1: * O HA THR 96 - QG2 THR 96 12.500% * 85.3263% (0.40 10.0 2.85 20.95) = 85.326% kept HA THR 96 - QG2 VAL 94 12.500% * 9.3856% (0.65 1.0 1.36 0.56) = 9.386% kept HA GLU- 18 - QG2 VAL 94 12.500% * 3.6349% (0.14 1.0 2.51 3.64) = 3.635% kept HA ASP- 115 - QG2 VAL 94 12.500% * 1.5245% (0.44 1.0 0.33 0.02) = 1.524% kept HA ASP- 115 - QG2 THR 96 12.500% * 0.0578% (0.27 1.0 0.02 0.02) = 0.058% HB THR 39 - QG2 VAL 94 12.500% * 0.0328% (0.15 1.0 0.02 0.02) = 0.033% HB THR 39 - QG2 THR 96 12.500% * 0.0202% (0.09 1.0 0.02 0.02) = 0.020% HA GLU- 18 - QG2 THR 96 12.500% * 0.0179% (0.08 1.0 0.02 0.02) = 0.018% Peak 171 (4.79, 1.17, 21.81 ppm): 4 chemical-shift based assignments, quality = 0.644, support = 0.919, residual support = 1.14: HA ASN 15 - QG2 THR 106 25.000% * 88.0534% (0.63 1.03 1.30) = 88.053% kept HA LEU 23 - QG2 THR 106 25.000% * 9.8744% (0.82 0.09 0.02) = 9.874% kept HA GLU- 18 - QG2 THR 106 25.000% * 1.0833% (0.40 0.02 0.02) = 1.083% kept HB THR 39 - QG2 THR 106 25.000% * 0.9889% (0.37 0.02 0.02) = 0.989% Peak 172 (4.72, 1.11, 21.83 ppm): 18 chemical-shift based assignments, quality = 0.181, support = 2.71, residual support = 13.6: * O HA THR 61 - QG2 THR 61 5.556% * 60.9445% (0.14 10.0 3.05 17.56) = 60.944% kept HA THR 39 - QG2 THR 79 5.556% * 16.9683% (0.24 1.0 3.36 16.04) = 16.968% kept HA LYS+ 20 - QG2 THR 79 5.556% * 9.4888% (0.29 1.0 1.57 1.30) = 9.489% kept HA2 GLY 30 - QG2 THR 79 5.556% * 6.7661% (0.26 1.0 1.25 0.20) = 6.766% kept HA THR 61 - QG2 THR 79 5.556% * 4.1085% (0.20 1.0 0.99 0.80) = 4.109% kept HA LYS+ 20 - QG2 THR 95 5.556% * 0.8586% (0.07 1.0 0.55 7.00) = 0.859% HA THR 39 - QG2 THR 95 5.556% * 0.3564% (0.06 1.0 0.27 0.17) = 0.356% HA LYS+ 20 - QG2 THR 61 5.556% * 0.0885% (0.21 1.0 0.02 0.12) = 0.089% HA2 GLY 30 - QG2 THR 61 5.556% * 0.0796% (0.19 1.0 0.02 0.02) = 0.080% HA THR 39 - QG2 THR 61 5.556% * 0.0741% (0.18 1.0 0.02 0.02) = 0.074% HA VAL 99 - QG2 THR 79 5.556% * 0.0637% (0.15 1.0 0.02 0.02) = 0.064% HA VAL 99 - QG2 THR 61 5.556% * 0.0467% (0.11 1.0 0.02 0.02) = 0.047% HA GLN 16 - QG2 THR 79 5.556% * 0.0454% (0.11 1.0 0.02 0.02) = 0.045% HA GLN 16 - QG2 THR 61 5.556% * 0.0333% (0.08 1.0 0.02 0.02) = 0.033% HA2 GLY 30 - QG2 THR 95 5.556% * 0.0280% (0.07 1.0 0.02 0.02) = 0.028% HA THR 61 - QG2 THR 95 5.556% * 0.0214% (0.05 1.0 0.02 0.02) = 0.021% HA VAL 99 - QG2 THR 95 5.556% * 0.0164% (0.04 1.0 0.02 0.02) = 0.016% HA GLN 16 - QG2 THR 95 5.556% * 0.0117% (0.03 1.0 0.02 0.02) = 0.012% Peak 173 (4.52, 1.32, 21.79 ppm): 7 chemical-shift based assignments, quality = 0.97, support = 2.7, residual support = 23.6: * O HB THR 46 - QG2 THR 46 14.286% * 94.2652% (0.99 10.0 2.81 25.02) = 94.265% kept HA ALA 103 - QG2 THR 46 14.286% * 2.8229% (0.52 1.0 1.14 0.31) = 2.823% kept HA LYS+ 55 - QG2 THR 46 14.286% * 2.7968% (0.83 1.0 0.71 0.02) = 2.797% kept HB THR 79 - QG2 THR 46 14.286% * 0.0535% (0.56 1.0 0.02 0.02) = 0.053% HA CYS 123 - QG2 THR 46 14.286% * 0.0236% (0.25 1.0 0.02 0.02) = 0.024% HA SER 77 - QG2 THR 46 14.286% * 0.0236% (0.25 1.0 0.02 0.02) = 0.024% HA LEU 17 - QG2 THR 46 14.286% * 0.0146% (0.15 1.0 0.02 0.02) = 0.015% Peak 182 (4.37, 1.11, 21.80 ppm): 27 chemical-shift based assignments, quality = 0.258, support = 2.93, residual support = 11.8: * O T HB THR 61 - QG2 THR 61 3.704% * 57.4429% (0.30 10.0 10.00 3.68 17.56) = 57.443% kept T HB THR 61 - QG2 THR 79 3.704% * 28.6832% (0.20 1.0 10.00 1.47 0.80) = 28.683% kept HA LYS+ 60 - QG2 THR 61 3.704% * 10.0628% (0.27 1.0 1.00 3.79 15.13) = 10.063% kept HA LYS+ 60 - QG2 THR 79 3.704% * 1.6167% (0.19 1.0 1.00 0.90 0.02) = 1.617% kept HB THR 61 - QG2 THR 95 3.704% * 0.5044% (0.09 1.0 1.00 0.60 0.02) = 0.504% T HA ALA 37 - QG2 THR 61 3.704% * 0.4809% (0.25 1.0 10.00 0.02 0.02) = 0.481% T HA ALA 37 - QG2 THR 79 3.704% * 0.3258% (0.17 1.0 10.00 0.02 0.02) = 0.326% HA LYS+ 60 - QG2 THR 95 3.704% * 0.3037% (0.08 1.0 1.00 0.39 0.02) = 0.304% T HA ALA 37 - QG2 THR 95 3.704% * 0.1399% (0.07 1.0 10.00 0.02 0.02) = 0.140% HA2 GLY 26 - QG2 THR 61 3.704% * 0.0556% (0.29 1.0 1.00 0.02 0.02) = 0.056% HA TRP 51 - QG2 THR 61 3.704% * 0.0545% (0.28 1.0 1.00 0.02 0.02) = 0.054% HA SER 27 - QG2 THR 61 3.704% * 0.0461% (0.24 1.0 1.00 0.02 0.02) = 0.046% HA2 GLY 26 - QG2 THR 79 3.704% * 0.0376% (0.19 1.0 1.00 0.02 0.02) = 0.038% HA TRP 51 - QG2 THR 79 3.704% * 0.0369% (0.19 1.0 1.00 0.02 0.02) = 0.037% HA ALA 91 - QG2 THR 61 3.704% * 0.0326% (0.17 1.0 1.00 0.02 0.02) = 0.033% HA SER 27 - QG2 THR 79 3.704% * 0.0312% (0.16 1.0 1.00 0.02 0.02) = 0.031% HA SER 88 - QG2 THR 61 3.704% * 0.0258% (0.13 1.0 1.00 0.02 0.02) = 0.026% HA ALA 91 - QG2 THR 79 3.704% * 0.0221% (0.11 1.0 1.00 0.02 0.02) = 0.022% HA SER 88 - QG2 THR 79 3.704% * 0.0175% (0.09 1.0 1.00 0.02 0.02) = 0.017% HA2 GLY 26 - QG2 THR 95 3.704% * 0.0162% (0.08 1.0 1.00 0.02 0.02) = 0.016% HA TRP 51 - QG2 THR 95 3.704% * 0.0158% (0.08 1.0 1.00 0.02 0.02) = 0.016% HA SER 27 - QG2 THR 95 3.704% * 0.0134% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA ALA 91 - QG2 THR 95 3.704% * 0.0095% (0.05 1.0 1.00 0.02 0.02) = 0.009% HA ASN 57 - QG2 THR 61 3.704% * 0.0089% (0.05 1.0 1.00 0.02 0.02) = 0.009% HA SER 88 - QG2 THR 95 3.704% * 0.0075% (0.04 1.0 1.00 0.02 0.02) = 0.008% HA ASN 57 - QG2 THR 79 3.704% * 0.0060% (0.03 1.0 1.00 0.02 0.02) = 0.006% HA ASN 57 - QG2 THR 95 3.704% * 0.0026% (0.01 1.0 1.00 0.02 0.02) = 0.003% Peak 184 (4.31, 1.17, 21.82 ppm): 6 chemical-shift based assignments, quality = 0.323, support = 2.33, residual support = 17.8: * O T HA THR 106 - QG2 THR 106 16.667% * 96.2807% (0.30 10.0 10.00 2.42 18.53) = 96.281% kept T HA ILE 29 - QG2 THR 106 16.667% * 3.0577% (0.97 1.0 10.00 0.02 0.02) = 3.058% kept HA ALA 93 - QG2 THR 106 16.667% * 0.3092% (0.98 1.0 1.00 0.02 0.02) = 0.309% HA ASP- 36 - QG2 THR 106 16.667% * 0.1766% (0.56 1.0 1.00 0.02 0.02) = 0.177% HA CYS 121 - QG2 THR 106 16.667% * 0.1064% (0.34 1.0 1.00 0.02 0.02) = 0.106% HB3 CYS 121 - QG2 THR 106 16.667% * 0.0694% (0.22 1.0 1.00 0.02 0.02) = 0.069% Peak 186 (4.17, 1.17, 21.83 ppm): 7 chemical-shift based assignments, quality = 0.897, support = 2.22, residual support = 15.9: * O T HB THR 106 - QG2 THR 106 14.286% * 83.1469% (0.90 10.0 10.00 2.19 18.53) = 83.147% kept HA VAL 105 - QG2 THR 106 14.286% * 12.0324% (0.90 1.0 1.00 2.89 4.01) = 12.032% kept HB3 SER 49 - QG2 THR 106 14.286% * 4.6121% (0.93 1.0 1.00 1.07 0.45) = 4.612% kept HA VAL 73 - QG2 THR 106 14.286% * 0.0721% (0.78 1.0 1.00 0.02 0.11) = 0.072% HA VAL 65 - QG2 THR 106 14.286% * 0.0654% (0.71 1.0 1.00 0.02 0.02) = 0.065% HA VAL 87 - QG2 THR 106 14.286% * 0.0510% (0.55 1.0 1.00 0.02 0.02) = 0.051% HB2 SER 88 - QG2 THR 106 14.286% * 0.0201% (0.22 1.0 1.00 0.02 0.02) = 0.020% Peak 187 (4.11, 1.32, 21.78 ppm): 8 chemical-shift based assignments, quality = 0.982, support = 2.72, residual support = 23.8: * O T HA THR 46 - QG2 THR 46 12.500% * 95.2271% (0.99 10.0 10.00 2.81 25.02) = 95.227% kept HB3 SER 49 - QG2 THR 46 12.500% * 4.4748% (0.85 1.0 1.00 1.10 0.02) = 4.475% kept HA ALA 70 - QG2 THR 46 12.500% * 0.0828% (0.86 1.0 1.00 0.02 0.02) = 0.083% HA LYS+ 63 - QG2 THR 46 12.500% * 0.0797% (0.83 1.0 1.00 0.02 0.02) = 0.080% HA ARG+ 53 - QG2 THR 46 12.500% * 0.0465% (0.48 1.0 1.00 0.02 0.02) = 0.046% HA THR 24 - QG2 THR 46 12.500% * 0.0465% (0.48 1.0 1.00 0.02 0.02) = 0.046% HA LYS+ 110 - QG2 THR 46 12.500% * 0.0238% (0.25 1.0 1.00 0.02 0.02) = 0.024% HA2 GLY 71 - QG2 THR 46 12.500% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% Peak 189 (3.95, 3.94, 63.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 190 (3.93, 0.70, 21.72 ppm): 8 chemical-shift based assignments, quality = 0.551, support = 1.81, residual support = 14.8: * O T HB THR 96 - QG2 THR 96 12.500% * 69.6545% (0.52 10.0 10.00 2.31 20.95) = 69.655% kept T HB THR 96 - QG2 VAL 94 12.500% * 29.7886% (0.64 1.0 10.00 0.69 0.56) = 29.789% kept T HA LEU 74 - QG2 THR 96 12.500% * 0.3697% (0.27 1.0 10.00 0.02 0.02) = 0.370% HA LEU 74 - QG2 VAL 94 12.500% * 0.0458% (0.34 1.0 1.00 0.02 0.02) = 0.046% HB2 SER 77 - QG2 VAL 94 12.500% * 0.0424% (0.31 1.0 1.00 0.02 0.02) = 0.042% HA1 GLY 114 - QG2 VAL 94 12.500% * 0.0358% (0.27 1.0 1.00 0.02 0.02) = 0.036% HB2 SER 77 - QG2 THR 96 12.500% * 0.0342% (0.25 1.0 1.00 0.02 0.02) = 0.034% HA1 GLY 114 - QG2 THR 96 12.500% * 0.0289% (0.21 1.0 1.00 0.02 0.02) = 0.029% Peak 196 (3.73, -0.11, 21.88 ppm): 3 chemical-shift based assignments, quality = 0.923, support = 5.52, residual support = 175.9: * T HA LEU 43 - QD1 LEU 43 33.333% * 97.8100% (0.94 10.00 5.60 179.85) = 97.810% kept HB3 SER 69 - QD1 LEU 43 33.333% * 2.1164% (0.22 1.00 1.88 1.67) = 2.116% kept HD3 PRO 104 - QD1 LEU 43 33.333% * 0.0736% (0.71 1.00 0.02 0.02) = 0.074% Peak 204 (2.11, -0.11, 21.86 ppm): 13 chemical-shift based assignments, quality = 0.979, support = 5.64, residual support = 173.6: * O T HB3 LEU 43 - QD1 LEU 43 7.692% * 96.5219% (0.99 10.0 10.00 5.83 179.85) = 96.522% kept HB3 GLU- 75 - QD1 LEU 43 7.692% * 2.8576% (0.95 1.0 1.00 0.61 0.02) = 2.858% kept HB VAL 87 - QD1 LEU 43 7.692% * 0.0915% (0.94 1.0 1.00 0.02 0.02) = 0.092% HB2 GLU- 56 - QD1 LEU 43 7.692% * 0.0893% (0.91 1.0 1.00 0.02 0.02) = 0.089% HG2 PRO 112 - QD1 LEU 43 7.692% * 0.0830% (0.85 1.0 1.00 0.02 0.02) = 0.083% HB VAL 105 - QD1 LEU 43 7.692% * 0.0702% (0.72 1.0 1.00 0.02 0.02) = 0.070% HB VAL 65 - QD1 LEU 43 7.692% * 0.0702% (0.72 1.0 1.00 0.02 0.02) = 0.070% HB2 MET 118 - QD1 LEU 43 7.692% * 0.0509% (0.52 1.0 1.00 0.02 0.02) = 0.051% HG2 GLU- 45 - QD1 LEU 43 7.692% * 0.0509% (0.52 1.0 1.00 0.02 0.02) = 0.051% HB VAL 125 - QD1 LEU 43 7.692% * 0.0363% (0.37 1.0 1.00 0.02 0.14) = 0.036% HB2 LYS+ 110 - QD1 LEU 43 7.692% * 0.0299% (0.31 1.0 1.00 0.02 0.11) = 0.030% HB2 ASP- 28 - QD1 LEU 43 7.692% * 0.0241% (0.25 1.0 1.00 0.02 0.02) = 0.024% HD3 LYS+ 110 - QD1 LEU 43 7.692% * 0.0241% (0.25 1.0 1.00 0.02 0.11) = 0.024% Peak 214 (1.62, -0.11, 21.89 ppm): 11 chemical-shift based assignments, quality = 0.805, support = 5.26, residual support = 167.9: * O T HG LEU 43 - QD1 LEU 43 9.091% * 93.3240% (0.81 10.0 10.00 5.60 179.85) = 93.324% kept HB ILE 68 - QD1 LEU 43 9.091% * 3.3649% (0.81 1.0 1.00 0.72 0.61) = 3.365% kept HG12 ILE 101 - QD1 LEU 43 9.091% * 1.5197% (0.78 1.0 1.00 0.34 0.02) = 1.520% kept HG2 LYS+ 110 - QD1 LEU 43 9.091% * 1.3139% (0.87 1.0 1.00 0.26 0.11) = 1.314% kept HG3 LYS+ 78 - QD1 LEU 43 9.091% * 0.1107% (0.96 1.0 1.00 0.02 0.02) = 0.111% HB VAL 122 - QD1 LEU 43 9.091% * 0.0933% (0.81 1.0 1.00 0.02 0.02) = 0.093% HB3 PRO 52 - QD1 LEU 43 9.091% * 0.0854% (0.74 1.0 1.00 0.02 0.02) = 0.085% HG LEU 23 - QD1 LEU 43 9.091% * 0.0811% (0.70 1.0 1.00 0.02 0.02) = 0.081% HD3 LYS+ 32 - QD1 LEU 43 9.091% * 0.0678% (0.59 1.0 1.00 0.02 0.02) = 0.068% HG2 ARG+ 22 - QD1 LEU 43 9.091% * 0.0196% (0.17 1.0 1.00 0.02 0.14) = 0.020% HB3 LYS+ 32 - QD1 LEU 43 9.091% * 0.0196% (0.17 1.0 1.00 0.02 0.02) = 0.020% Peak 224 (1.42, -0.11, 21.88 ppm): 13 chemical-shift based assignments, quality = 0.905, support = 2.83, residual support = 16.7: HD3 LYS+ 44 - QD1 LEU 43 7.692% * 58.6532% (0.98 4.13 27.76) = 58.653% kept * QG2 THR 38 - QD1 LEU 43 7.692% * 19.8854% (0.93 1.48 1.45) = 19.885% kept HG3 ARG+ 22 - QD1 LEU 43 7.692% * 9.0615% (0.82 0.76 0.14) = 9.061% kept QB ALA 91 - QD1 LEU 43 7.692% * 3.6081% (0.96 0.26 0.02) = 3.608% kept HG LEU 67 - QD1 LEU 43 7.692% * 3.5220% (0.56 0.44 3.85) = 3.522% kept HD3 LYS+ 20 - QD1 LEU 43 7.692% * 2.6598% (0.22 0.84 0.02) = 2.660% kept QB ALA 37 - QD1 LEU 43 7.692% * 1.4603% (0.75 0.13 0.02) = 1.460% kept HD3 LYS+ 113 - QD1 LEU 43 7.692% * 0.2466% (0.85 0.02 0.02) = 0.247% HG3 LYS+ 55 - QD1 LEU 43 7.692% * 0.2374% (0.82 0.02 0.02) = 0.237% HG3 LYS+ 113 - QD1 LEU 43 7.692% * 0.2172% (0.75 0.02 0.02) = 0.217% HG LEU 90 - QD1 LEU 43 7.692% * 0.1495% (0.52 0.02 0.02) = 0.150% QB ALA 93 - QD1 LEU 43 7.692% * 0.1495% (0.52 0.02 0.02) = 0.150% HG13 ILE 100 - QD1 LEU 43 7.692% * 0.1495% (0.52 0.02 0.02) = 0.150% Peak 227 (1.32, 1.32, 21.79 ppm): 1 diagonal assignment: * QG2 THR 46 - QG2 THR 46 (0.97) kept Peak 245 (1.17, 1.17, 21.82 ppm): 1 diagonal assignment: * QG2 THR 106 - QG2 THR 106 (0.97) kept Peak 256 (1.16, -0.11, 21.88 ppm): 6 chemical-shift based assignments, quality = 0.887, support = 5.43, residual support = 171.0: * O T HB2 LEU 43 - QD1 LEU 43 16.667% * 95.0935% (0.91 10.0 10.00 5.65 179.85) = 95.094% kept QB ALA 33 - QD1 LEU 43 16.667% * 4.1595% (0.60 1.0 1.00 1.33 0.02) = 4.160% kept T HB2 LEU 74 - QD1 LEU 43 16.667% * 0.5420% (0.52 1.0 10.00 0.02 1.31) = 0.542% HG3 PRO 59 - QD1 LEU 43 16.667% * 0.1030% (0.98 1.0 1.00 0.02 0.02) = 0.103% QG2 THR 106 - QD1 LEU 43 16.667% * 0.0860% (0.82 1.0 1.00 0.02 0.02) = 0.086% HG3 LYS+ 32 - QD1 LEU 43 16.667% * 0.0159% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 258 (1.01, 1.17, 21.82 ppm): 2 chemical-shift based assignments, quality = 0.825, support = 0.02, residual support = 0.02: QG1 VAL 99 - QG2 THR 106 50.000% * 81.6578% (0.96 0.02 0.02) = 81.658% kept HG3 LYS+ 20 - QG2 THR 106 50.000% * 18.3422% (0.22 0.02 0.02) = 18.342% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 260 (0.92, -0.11, 21.79 ppm): 13 chemical-shift based assignments, quality = 0.588, support = 1.34, residual support = 2.53: QG2 VAL 80 - QD1 LEU 43 7.692% * 22.6249% (0.75 1.67 4.17) = 22.625% kept HG12 ILE 68 - QD1 LEU 43 7.692% * 16.5272% (0.62 1.48 0.61) = 16.527% kept QD1 LEU 67 - QD1 LEU 43 7.692% * 13.6510% (0.59 1.28 3.85) = 13.651% kept * QG2 VAL 40 - QD1 LEU 43 7.692% * 12.7991% (0.46 1.54 4.76) = 12.799% kept HG3 LYS+ 110 - QD1 LEU 43 7.692% * 10.5250% (0.68 0.86 0.11) = 10.525% kept HG3 LYS+ 117 - QD1 LEU 43 7.692% * 8.1579% (0.65 0.70 0.02) = 8.158% kept QG1 VAL 80 - QD1 LEU 43 7.692% * 7.1316% (0.20 1.95 4.17) = 7.132% kept QG1 VAL 47 - QD1 LEU 43 7.692% * 7.1097% (0.53 0.75 0.53) = 7.110% kept QG2 VAL 105 - QD1 LEU 43 7.692% * 0.6005% (0.40 0.08 0.02) = 0.601% QG1 VAL 105 - QD1 LEU 43 7.692% * 0.5306% (0.33 0.09 0.02) = 0.531% QG2 VAL 87 - QD1 LEU 43 7.692% * 0.1659% (0.46 0.02 0.02) = 0.166% QD1 LEU 17 - QD1 LEU 43 7.692% * 0.1313% (0.36 0.02 0.02) = 0.131% QG2 VAL 62 - QD1 LEU 43 7.692% * 0.0452% (0.13 0.02 3.21) = 0.045% Peak 266 (0.70, -0.10, 21.87 ppm): 10 chemical-shift based assignments, quality = 0.792, support = 0.45, residual support = 0.421: QG2 ILE 68 - QD1 LEU 43 10.000% * 62.1062% (0.80 0.63 0.61) = 62.106% kept HG12 ILE 19 - QD1 LEU 43 10.000% * 23.0125% (0.76 0.24 0.02) = 23.012% kept QG2 ILE 101 - QD1 LEU 43 10.000% * 2.4177% (0.98 0.02 0.02) = 2.418% kept QG2 ILE 48 - QD1 LEU 43 10.000% * 2.3888% (0.97 0.02 1.60) = 2.389% kept QG1 VAL 65 - QD1 LEU 43 10.000% * 2.3786% (0.96 0.02 0.02) = 2.379% kept QD1 ILE 19 - QD1 LEU 43 10.000% * 2.1379% (0.86 0.02 0.02) = 2.138% kept QG2 THR 96 - QD1 LEU 43 10.000% * 2.0587% (0.83 0.02 0.02) = 2.059% kept QG2 VAL 94 - QD1 LEU 43 10.000% * 1.9736% (0.80 0.02 0.02) = 1.974% kept HG LEU 74 - QD1 LEU 43 10.000% * 0.8407% (0.34 0.02 1.31) = 0.841% QG1 VAL 62 - QD1 LEU 43 10.000% * 0.6853% (0.28 0.02 3.21) = 0.685% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 272 (0.48, -0.11, 21.89 ppm): 2 chemical-shift based assignments, quality = 0.845, support = 5.13, residual support = 149.0: * O T QD2 LEU 43 - QD1 LEU 43 50.000% * 82.7200% (0.95 10.0 10.00 5.96 179.85) = 82.720% kept T QD2 LEU 74 - QD1 LEU 43 50.000% * 17.2800% (0.34 1.0 10.00 1.18 1.31) = 17.280% kept Peak 280 (-0.10, -0.11, 21.88 ppm): 1 diagonal assignment: * QD1 LEU 43 - QD1 LEU 43 (0.98) kept Peak 283 (8.95, 1.09, 21.50 ppm): 12 chemical-shift based assignments, quality = 0.788, support = 2.99, residual support = 12.5: * HN THR 96 - QG2 THR 95 8.333% * 53.3431% (0.93 4.32 17.52) = 53.343% kept HN MET 97 - QG2 THR 95 8.333% * 15.6938% (0.63 1.90 0.60) = 15.694% kept HN ARG+ 22 - QG2 THR 95 8.333% * 13.1097% (0.96 1.03 0.84) = 13.110% kept HN ILE 19 - QG2 THR 95 8.333% * 8.6093% (0.27 2.42 33.75) = 8.609% kept HN LEU 17 - QG2 THR 95 8.333% * 4.6792% (0.81 0.44 1.09) = 4.679% kept HN ARG+ 22 - QG2 THR 61 8.333% * 1.4745% (0.25 0.44 0.02) = 1.474% kept HN ILE 19 - QG2 THR 61 8.333% * 1.3621% (0.07 1.45 0.47) = 1.362% kept HN PHE 21 - QG2 THR 95 8.333% * 0.8811% (0.87 0.08 0.02) = 0.881% HN LEU 17 - QG2 THR 61 8.333% * 0.6773% (0.21 0.24 0.02) = 0.677% HN THR 96 - QG2 THR 61 8.333% * 0.0653% (0.25 0.02 0.02) = 0.065% HN PHE 21 - QG2 THR 61 8.333% * 0.0607% (0.23 0.02 0.02) = 0.061% HN MET 97 - QG2 THR 61 8.333% * 0.0438% (0.17 0.02 0.02) = 0.044% Peak 284 (8.80, 0.82, 21.52 ppm): 5 chemical-shift based assignments, quality = 0.333, support = 4.05, residual support = 18.1: * HN THR 95 - QG1 VAL 94 20.000% * 81.2542% (0.28 4.92 22.32) = 81.254% kept HN ASN 57 - QG1 VAL 94 20.000% * 10.2323% (0.73 0.24 0.02) = 10.232% kept HN SER 69 - QG1 VAL 94 20.000% * 7.3481% (0.45 0.28 0.02) = 7.348% kept HN LYS+ 32 - QG1 VAL 94 20.000% * 0.7200% (0.61 0.02 0.02) = 0.720% HN LYS+ 60 - QG1 VAL 94 20.000% * 0.4455% (0.38 0.02 0.02) = 0.446% Peak 285 (8.60, 1.42, 21.47 ppm): 8 chemical-shift based assignments, quality = 0.593, support = 2.17, residual support = 9.4: * HN THR 39 - QG2 THR 38 12.500% * 62.3095% (0.60 3.10 14.77) = 62.310% kept HN VAL 80 - QG2 THR 38 12.500% * 14.9235% (0.57 0.79 0.97) = 14.924% kept HN VAL 73 - QG2 THR 38 12.500% * 11.1620% (0.43 0.78 0.38) = 11.162% kept HN LYS+ 20 - QG2 THR 38 12.500% * 9.7972% (0.86 0.34 0.11) = 9.797% kept HN LYS+ 20 - HD3 LYS+ 44 12.500% * 0.6327% (0.95 0.02 0.02) = 0.633% HN THR 39 - HD3 LYS+ 44 12.500% * 0.4434% (0.66 0.02 0.02) = 0.443% HN VAL 80 - HD3 LYS+ 44 12.500% * 0.4175% (0.63 0.02 0.12) = 0.418% HN VAL 73 - HD3 LYS+ 44 12.500% * 0.3142% (0.47 0.02 0.02) = 0.314% Peak 286 (8.47, 4.18, 62.80 ppm): 30 chemical-shift based assignments, quality = 0.556, support = 3.11, residual support = 8.22: * O HN LEU 74 - HA VAL 73 3.333% * 81.5883% (0.52 10.0 3.65 10.05) = 81.588% kept HN GLU- 107 - HA VAL 73 3.333% * 7.7139% (0.91 1.0 1.08 0.11) = 7.714% kept HN GLY 92 - HB3 SER 49 3.333% * 4.0276% (0.74 1.0 0.69 0.19) = 4.028% kept HN GLY 92 - HA VAL 73 3.333% * 3.0399% (0.88 1.0 0.44 0.02) = 3.040% kept HN GLU- 107 - HA VAL 105 3.333% * 1.6378% (0.41 1.0 0.51 0.11) = 1.638% kept HN LYS+ 113 - HA VAL 73 3.333% * 0.4576% (0.63 1.0 0.09 0.02) = 0.458% HN GLU- 107 - HA VAL 65 3.333% * 0.1302% (0.83 1.0 0.02 0.02) = 0.130% HN GLY 92 - HA VAL 65 3.333% * 0.1267% (0.80 1.0 0.02 0.02) = 0.127% HN GLU- 107 - HB3 SER 49 3.333% * 0.1194% (0.76 1.0 0.02 0.02) = 0.119% HN LYS+ 113 - HA VAL 65 3.333% * 0.0902% (0.57 1.0 0.02 0.02) = 0.090% HN LYS+ 113 - HB3 SER 49 3.333% * 0.0828% (0.53 1.0 0.02 0.02) = 0.083% HN GLU- 18 - HA VAL 73 3.333% * 0.0816% (0.52 1.0 0.02 0.02) = 0.082% HN GLU- 18 - HA VAL 65 3.333% * 0.0743% (0.47 1.0 0.02 0.02) = 0.074% HN LEU 74 - HA VAL 65 3.333% * 0.0743% (0.47 1.0 0.02 0.02) = 0.074% HN GLU- 18 - HB3 SER 49 3.333% * 0.0682% (0.43 1.0 0.02 0.02) = 0.068% HN LEU 74 - HB3 SER 49 3.333% * 0.0682% (0.43 1.0 0.02 0.71) = 0.068% HN GLU- 107 - HA VAL 87 3.333% * 0.0633% (0.40 1.0 0.02 0.02) = 0.063% HN GLY 92 - HA VAL 105 3.333% * 0.0627% (0.40 1.0 0.02 0.02) = 0.063% HN GLY 92 - HA VAL 87 3.333% * 0.0616% (0.39 1.0 0.02 0.02) = 0.062% HN GLU- 10 - HA VAL 73 3.333% * 0.0541% (0.34 1.0 0.02 0.02) = 0.054% HN GLU- 10 - HA VAL 65 3.333% * 0.0493% (0.31 1.0 0.02 0.02) = 0.049% HN GLU- 10 - HB3 SER 49 3.333% * 0.0452% (0.29 1.0 0.02 0.02) = 0.045% HN LYS+ 113 - HA VAL 105 3.333% * 0.0446% (0.28 1.0 0.02 0.02) = 0.045% HN LYS+ 113 - HA VAL 87 3.333% * 0.0438% (0.28 1.0 0.02 0.02) = 0.044% HN GLU- 18 - HA VAL 105 3.333% * 0.0368% (0.23 1.0 0.02 0.02) = 0.037% HN LEU 74 - HA VAL 105 3.333% * 0.0368% (0.23 1.0 0.02 0.02) = 0.037% HN GLU- 18 - HA VAL 87 3.333% * 0.0361% (0.23 1.0 0.02 0.02) = 0.036% HN LEU 74 - HA VAL 87 3.333% * 0.0361% (0.23 1.0 0.02 0.02) = 0.036% HN GLU- 10 - HA VAL 105 3.333% * 0.0244% (0.15 1.0 0.02 0.02) = 0.024% HN GLU- 10 - HA VAL 87 3.333% * 0.0240% (0.15 1.0 0.02 0.02) = 0.024% Peak 287 (8.23, 4.38, 63.07 ppm): 33 chemical-shift based assignments, quality = 0.228, support = 2.35, residual support = 9.24: * O HN VAL 105 - HA PRO 104 3.030% * 69.7841% (0.19 10.0 2.78 9.44) = 69.784% kept HN VAL 94 - HA THR 95 3.030% * 11.7484% (0.26 1.0 2.52 22.32) = 11.748% kept HN LEU 67 - HA THR 95 3.030% * 7.0389% (0.52 1.0 0.75 0.28) = 7.039% kept HN GLU- 12 - HA PRO 112 3.030% * 4.8353% (0.31 1.0 0.87 0.22) = 4.835% kept HN THR 106 - HA PRO 104 3.030% * 2.5308% (0.21 1.0 0.67 0.02) = 2.531% kept HN LYS+ 81 - HA PRO 104 3.030% * 1.3679% (0.42 1.0 0.18 0.02) = 1.368% kept HN GLY 58 - HA THR 95 3.030% * 0.1915% (0.53 1.0 0.02 0.02) = 0.191% HN LYS+ 81 - HA THR 95 3.030% * 0.1877% (0.52 1.0 0.02 0.02) = 0.188% HN SER 49 - HA THR 95 3.030% * 0.1848% (0.51 1.0 0.02 0.02) = 0.185% HN GLU- 12 - HA THR 95 3.030% * 0.1768% (0.49 1.0 0.02 0.02) = 0.177% HN GLY 58 - HA PRO 104 3.030% * 0.1557% (0.43 1.0 0.02 0.02) = 0.156% HN LEU 67 - HA PRO 104 3.030% * 0.1526% (0.42 1.0 0.02 0.02) = 0.153% HN SER 49 - HA PRO 104 3.030% * 0.1502% (0.42 1.0 0.02 0.02) = 0.150% HN GLU- 12 - HA PRO 104 3.030% * 0.1437% (0.40 1.0 0.02 0.02) = 0.144% HN GLY 58 - HA PRO 112 3.030% * 0.1204% (0.33 1.0 0.02 0.02) = 0.120% HN LEU 67 - HA PRO 112 3.030% * 0.1180% (0.33 1.0 0.02 0.02) = 0.118% HN LYS+ 81 - HA PRO 112 3.030% * 0.1180% (0.33 1.0 0.02 0.02) = 0.118% HN SER 49 - HA PRO 112 3.030% * 0.1162% (0.32 1.0 0.02 0.02) = 0.116% HN THR 106 - HA THR 95 3.030% * 0.0932% (0.26 1.0 0.02 0.02) = 0.093% HN VAL 105 - HA THR 95 3.030% * 0.0859% (0.24 1.0 0.02 0.02) = 0.086% HN ASP- 115 - HA THR 95 3.030% * 0.0787% (0.22 1.0 0.02 0.02) = 0.079% HN VAL 94 - HA PRO 104 3.030% * 0.0758% (0.21 1.0 0.02 0.02) = 0.076% HN ASP- 115 - HA PRO 104 3.030% * 0.0640% (0.18 1.0 0.02 0.02) = 0.064% HN ALA 11 - HA THR 95 3.030% * 0.0591% (0.16 1.0 0.02 0.02) = 0.059% HN VAL 94 - HA PRO 112 3.030% * 0.0586% (0.16 1.0 0.02 0.02) = 0.059% HN THR 106 - HA PRO 112 3.030% * 0.0586% (0.16 1.0 0.02 0.02) = 0.059% HN VAL 105 - HA PRO 112 3.030% * 0.0540% (0.15 1.0 0.02 0.02) = 0.054% HN ASP- 115 - HA PRO 112 3.030% * 0.0495% (0.14 1.0 0.02 0.02) = 0.049% HN ALA 11 - HA PRO 104 3.030% * 0.0480% (0.13 1.0 0.02 0.02) = 0.048% HN GLU- 45 - HA THR 95 3.030% * 0.0477% (0.13 1.0 0.02 0.02) = 0.048% HN GLU- 45 - HA PRO 104 3.030% * 0.0388% (0.11 1.0 0.02 0.02) = 0.039% HN ALA 11 - HA PRO 112 3.030% * 0.0372% (0.10 1.0 0.02 0.02) = 0.037% HN GLU- 45 - HA PRO 112 3.030% * 0.0300% (0.08 1.0 0.02 0.28) = 0.030% Peak 288 (8.18, 3.81, 62.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 289 (8.22, 0.82, 21.52 ppm): 10 chemical-shift based assignments, quality = 0.935, support = 3.85, residual support = 46.0: * HN VAL 94 - QG1 VAL 94 10.000% * 86.3623% (0.99 4.36 53.27) = 86.362% kept HN LEU 67 - QG1 VAL 94 10.000% * 7.0706% (0.37 0.95 0.02) = 7.071% kept HN VAL 105 - QG1 VAL 94 10.000% * 5.0190% (0.99 0.25 0.02) = 5.019% kept HN ALA 11 - QG1 VAL 94 10.000% * 0.3747% (0.94 0.02 0.02) = 0.375% HN GLU- 45 - QG1 VAL 94 10.000% * 0.3553% (0.89 0.02 0.02) = 0.355% HN SER 49 - QG1 VAL 94 10.000% * 0.2563% (0.64 0.02 0.02) = 0.256% HN GLY 58 - QG1 VAL 94 10.000% * 0.1928% (0.48 0.02 0.02) = 0.193% HN LYS+ 81 - QG1 VAL 94 10.000% * 0.1487% (0.37 0.02 0.28) = 0.149% HN GLU- 12 - QG1 VAL 94 10.000% * 0.1101% (0.28 0.02 0.02) = 0.110% HN ALA 33 - QG1 VAL 94 10.000% * 0.1101% (0.28 0.02 0.02) = 0.110% Peak 290 (8.08, 0.81, 21.29 ppm): 12 chemical-shift based assignments, quality = 0.223, support = 0.836, residual support = 1.21: HN LYS+ 110 - QG1 VAL 94 8.333% * 31.7731% (0.44 0.45 0.10) = 31.773% kept HN LYS+ 110 - QG2 VAL 13 8.333% * 25.7537% (0.09 1.80 4.14) = 25.754% kept HN CYS 121 - QG2 VAL 13 8.333% * 10.4901% (0.09 0.73 0.14) = 10.490% kept HN GLU- 75 - QG2 VAL 13 8.333% * 10.4228% (0.09 0.76 0.56) = 10.423% kept HN GLU- 75 - QG1 VAL 94 8.333% * 5.8987% (0.42 0.09 0.02) = 5.899% kept HN ASN 15 - QG1 VAL 94 8.333% * 3.6039% (0.09 0.25 0.02) = 3.604% kept HN MET 118 - QG2 VAL 13 8.333% * 3.5557% (0.03 0.70 0.44) = 3.556% kept * HN ASN 15 - QG2 VAL 13 8.333% * 2.8439% (0.02 0.97 0.52) = 2.844% kept HN VAL 122 - QG2 VAL 13 8.333% * 2.6901% (0.07 0.25 0.02) = 2.690% kept HN CYS 121 - QG1 VAL 94 8.333% * 1.4094% (0.44 0.02 0.02) = 1.409% kept HN VAL 122 - QG1 VAL 94 8.333% * 1.0605% (0.33 0.02 0.02) = 1.061% kept HN MET 118 - QG1 VAL 94 8.333% * 0.4982% (0.16 0.02 0.02) = 0.498% Peak 291 (7.74, 3.81, 62.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 292 (7.33, 1.42, 21.50 ppm): 12 chemical-shift based assignments, quality = 0.869, support = 3.19, residual support = 10.2: QE PHE 34 - HD3 LYS+ 44 8.333% * 30.0510% (0.96 4.44 13.12) = 30.051% kept HZ PHE 34 - HD3 LYS+ 44 8.333% * 21.8956% (0.96 3.24 13.12) = 21.896% kept QD PHE 34 - HD3 LYS+ 44 8.333% * 20.5916% (0.70 4.19 13.12) = 20.592% kept QE PHE 34 - QG2 THR 38 8.333% * 7.3890% (0.88 1.20 1.04) = 7.389% kept HZ2 TRP 51 - HD3 LYS+ 44 8.333% * 6.4469% (0.96 0.95 0.02) = 6.447% kept * QD PHE 34 - QG2 THR 38 8.333% * 5.5729% (0.64 1.24 1.04) = 5.573% kept HZ PHE 34 - QG2 THR 38 8.333% * 5.3436% (0.88 0.86 1.04) = 5.344% kept HN VAL 47 - HD3 LYS+ 44 8.333% * 2.3487% (0.62 0.54 20.97) = 2.349% kept HZ2 TRP 51 - QG2 THR 38 8.333% * 0.1236% (0.88 0.02 0.02) = 0.124% HN ARG+ 84 - HD3 LYS+ 44 8.333% * 0.0820% (0.58 0.02 0.02) = 0.082% HN VAL 47 - QG2 THR 38 8.333% * 0.0800% (0.57 0.02 0.02) = 0.080% HN ARG+ 84 - QG2 THR 38 8.333% * 0.0750% (0.53 0.02 0.02) = 0.075% Peak 293 (4.99, 4.18, 62.74 ppm): 20 chemical-shift based assignments, quality = 0.635, support = 1.58, residual support = 1.23: HA SER 69 - HA VAL 73 5.000% * 24.7355% (0.76 2.40 1.88) = 24.736% kept * HA ILE 68 - HA VAL 73 5.000% * 15.3845% (0.59 1.94 1.95) = 15.384% kept HA ILE 68 - HB3 SER 49 5.000% * 11.9451% (0.52 1.72 1.95) = 11.945% kept HA ILE 68 - HA VAL 65 5.000% * 10.7716% (0.73 1.09 1.17) = 10.772% kept HA SER 69 - HB3 SER 49 5.000% * 9.8047% (0.67 1.09 0.54) = 9.805% kept HA MET 97 - HA VAL 73 5.000% * 7.4282% (0.44 1.26 0.02) = 7.428% kept HA SER 69 - HA VAL 65 5.000% * 7.2368% (0.95 0.57 0.02) = 7.237% kept HA ILE 68 - HA VAL 105 5.000% * 6.5651% (0.37 1.32 0.60) = 6.565% kept HA SER 69 - HA VAL 105 5.000% * 4.9223% (0.48 0.76 0.11) = 4.922% kept HA PRO 31 - HA VAL 65 5.000% * 0.2157% (0.80 0.02 0.02) = 0.216% HA PRO 31 - HA VAL 73 5.000% * 0.1734% (0.64 0.02 0.02) = 0.173% HA PRO 31 - HB3 SER 49 5.000% * 0.1522% (0.57 0.02 0.02) = 0.152% HA MET 97 - HA VAL 65 5.000% * 0.1462% (0.54 0.02 0.02) = 0.146% HA PRO 31 - HA VAL 105 5.000% * 0.1085% (0.40 0.02 0.02) = 0.109% HA MET 97 - HB3 SER 49 5.000% * 0.1032% (0.38 0.02 0.02) = 0.103% HA MET 97 - HA VAL 105 5.000% * 0.0736% (0.27 0.02 0.02) = 0.074% HA SER 69 - HA VAL 87 5.000% * 0.0733% (0.27 0.02 0.02) = 0.073% HA PRO 31 - HA VAL 87 5.000% * 0.0618% (0.23 0.02 0.02) = 0.062% HA ILE 68 - HA VAL 87 5.000% * 0.0565% (0.21 0.02 0.02) = 0.057% HA MET 97 - HA VAL 87 5.000% * 0.0419% (0.16 0.02 0.02) = 0.042% Peak 294 (4.79, 0.83, 21.45 ppm): 4 chemical-shift based assignments, quality = 0.251, support = 0.875, residual support = 3.13: HA GLU- 18 - QG1 VAL 94 25.000% * 85.9688% (0.18 1.01 3.64) = 85.969% kept HA ASN 15 - QG1 VAL 94 25.000% * 7.6817% (0.84 0.02 0.02) = 7.682% kept HA LEU 23 - QG1 VAL 94 25.000% * 4.8494% (0.53 0.02 0.02) = 4.849% kept HB THR 39 - QG1 VAL 94 25.000% * 1.5001% (0.16 0.02 0.02) = 1.500% kept Peak 295 (4.28, 0.82, 21.51 ppm): 19 chemical-shift based assignments, quality = 0.893, support = 4.01, residual support = 49.0: * O HA VAL 94 - QG1 VAL 94 5.263% * 91.8093% (0.92 10.0 4.29 53.27) = 91.809% kept HA GLU- 56 - QG1 VAL 94 5.263% * 4.1696% (0.68 1.0 1.22 1.53) = 4.170% kept HA PRO 52 - QG1 VAL 94 5.263% * 2.3782% (0.89 1.0 0.53 0.02) = 2.378% kept HA LEU 90 - QG1 VAL 94 5.263% * 0.8443% (0.99 1.0 0.17 0.02) = 0.844% HA VAL 122 - QG1 VAL 94 5.263% * 0.0992% (0.99 1.0 0.02 0.02) = 0.099% HB3 CYS 121 - QG1 VAL 94 5.263% * 0.0918% (0.92 1.0 0.02 0.02) = 0.092% HA ARG+ 84 - QG1 VAL 94 5.263% * 0.0892% (0.89 1.0 0.02 0.02) = 0.089% HA SER 85 - QG1 VAL 94 5.263% * 0.0892% (0.89 1.0 0.02 0.02) = 0.089% HA THR 106 - QG1 VAL 94 5.263% * 0.0831% (0.83 1.0 0.02 0.02) = 0.083% HA CYS 121 - QG1 VAL 94 5.263% * 0.0796% (0.80 1.0 0.02 0.02) = 0.080% HA ASP- 36 - QG1 VAL 94 5.263% * 0.0563% (0.56 1.0 0.02 0.02) = 0.056% HA GLU- 64 - QG1 VAL 94 5.263% * 0.0523% (0.52 1.0 0.02 0.02) = 0.052% HA GLU- 75 - QG1 VAL 94 5.263% * 0.0484% (0.48 1.0 0.02 0.02) = 0.048% HA GLU- 107 - QG1 VAL 94 5.263% * 0.0221% (0.22 1.0 0.02 0.02) = 0.022% HA ASN 119 - QG1 VAL 94 5.263% * 0.0221% (0.22 1.0 0.02 0.02) = 0.022% HA ASN 76 - QG1 VAL 94 5.263% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% HA ILE 29 - QG1 VAL 94 5.263% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% HA ALA 11 - QG1 VAL 94 5.263% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% HB3 SER 49 - QG1 VAL 94 5.263% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% Peak 297 (4.03, 1.42, 21.49 ppm): 12 chemical-shift based assignments, quality = 0.275, support = 3.1, residual support = 19.9: * O T HA THR 38 - QG2 THR 38 8.333% * 69.2763% (0.34 10.0 10.00 3.47 20.35) = 69.276% kept O T HB THR 38 - QG2 THR 38 8.333% * 28.4803% (0.14 10.0 10.00 2.45 20.35) = 28.480% kept T HA THR 38 - HD3 LYS+ 44 8.333% * 0.7505% (0.37 1.0 10.00 0.02 0.02) = 0.750% HA VAL 13 - QG2 THR 38 8.333% * 0.6491% (0.69 1.0 1.00 0.09 0.02) = 0.649% T HB THR 38 - HD3 LYS+ 44 8.333% * 0.3085% (0.15 1.0 10.00 0.02 0.02) = 0.309% HA VAL 13 - HD3 LYS+ 44 8.333% * 0.1528% (0.75 1.0 1.00 0.02 0.02) = 0.153% HB3 SER 85 - HD3 LYS+ 44 8.333% * 0.1132% (0.55 1.0 1.00 0.02 0.02) = 0.113% HB3 SER 85 - QG2 THR 38 8.333% * 0.1045% (0.51 1.0 1.00 0.02 0.02) = 0.105% HB THR 95 - HD3 LYS+ 44 8.333% * 0.0445% (0.22 1.0 1.00 0.02 0.02) = 0.045% HB3 SER 49 - HD3 LYS+ 44 8.333% * 0.0412% (0.20 1.0 1.00 0.02 0.02) = 0.041% HB THR 95 - QG2 THR 38 8.333% * 0.0411% (0.20 1.0 1.00 0.02 0.02) = 0.041% HB3 SER 49 - QG2 THR 38 8.333% * 0.0380% (0.19 1.0 1.00 0.02 0.02) = 0.038% Peak 298 (4.00, 1.08, 21.52 ppm): 8 chemical-shift based assignments, quality = 0.951, support = 2.88, residual support = 29.6: * O T HB THR 95 - QG2 THR 95 12.500% * 98.6469% (0.96 10.0 10.00 2.92 30.01) = 98.647% kept HA THR 38 - QG2 THR 95 12.500% * 0.9980% (0.85 1.0 1.00 0.23 0.02) = 0.998% T HB THR 95 - QG2 THR 61 12.500% * 0.1962% (0.19 1.0 10.00 0.02 0.02) = 0.196% HA1 GLY 92 - QG2 THR 95 12.500% * 0.0691% (0.68 1.0 1.00 0.02 0.02) = 0.069% HA VAL 13 - QG2 THR 95 12.500% * 0.0490% (0.48 1.0 1.00 0.02 0.02) = 0.049% HA THR 38 - QG2 THR 61 12.500% * 0.0174% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA1 GLY 92 - QG2 THR 61 12.500% * 0.0137% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA VAL 13 - QG2 THR 61 12.500% * 0.0097% (0.10 1.0 1.00 0.02 0.02) = 0.010% Peak 299 (3.83, 3.82, 62.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 300 (2.25, 1.08, 21.47 ppm): 30 chemical-shift based assignments, quality = 0.37, support = 0.416, residual support = 0.271: HB VAL 80 - QG2 THR 95 3.333% * 30.8620% (0.52 1.00 0.54 0.70) = 30.862% kept T HG3 GLU- 18 - QG2 THR 61 3.333% * 11.0393% (0.03 10.00 0.38 0.02) = 11.039% kept HG2 PRO 112 - QG2 THR 61 3.333% * 10.4027% (0.20 1.00 0.49 0.11) = 10.403% kept HG3 GLU- 18 - QG2 THR 95 3.333% * 9.2011% (0.13 1.00 0.63 0.02) = 9.201% kept HG3 GLN 16 - QG2 THR 95 3.333% * 8.9723% (0.76 1.00 0.11 0.02) = 8.972% kept HG3 GLN 102 - QG2 THR 61 3.333% * 5.2568% (0.04 1.00 1.24 0.64) = 5.257% kept HB VAL 80 - QG2 THR 61 3.333% * 4.7808% (0.10 1.00 0.42 0.02) = 4.781% kept HG2 PRO 112 - QG2 THR 95 3.333% * 2.1373% (0.98 1.00 0.02 0.02) = 2.137% kept HB3 ASN 15 - QG2 THR 95 3.333% * 1.9955% (0.92 1.00 0.02 0.02) = 1.996% kept HG3 GLU- 107 - QG2 THR 95 3.333% * 1.9955% (0.92 1.00 0.02 0.02) = 1.996% kept HG3 GLU- 54 - QG2 THR 95 3.333% * 1.8752% (0.86 1.00 0.02 0.02) = 1.875% kept HG3 GLU- 10 - QG2 THR 95 3.333% * 1.7310% (0.79 1.00 0.02 0.02) = 1.731% kept HB3 GLU- 45 - QG2 THR 95 3.333% * 1.4849% (0.68 1.00 0.02 0.02) = 1.485% kept T HG3 GLU- 109 - QG2 THR 61 3.333% * 1.1954% (0.05 10.00 0.02 0.02) = 1.195% kept HG3 GLU- 75 - QG2 THR 95 3.333% * 0.9692% (0.44 1.00 0.02 0.02) = 0.969% HB3 LYS+ 117 - QG2 THR 95 3.333% * 0.9692% (0.44 1.00 0.02 0.02) = 0.969% HB3 PRO 112 - QG2 THR 95 3.333% * 0.7189% (0.33 1.00 0.02 0.02) = 0.719% HB2 PRO 52 - QG2 THR 95 3.333% * 0.6010% (0.28 1.00 0.02 0.02) = 0.601% HG3 GLU- 109 - QG2 THR 95 3.333% * 0.6010% (0.28 1.00 0.02 0.02) = 0.601% HG3 GLN 102 - QG2 THR 95 3.333% * 0.4278% (0.20 1.00 0.02 0.02) = 0.428% HB3 ASN 15 - QG2 THR 61 3.333% * 0.3969% (0.18 1.00 0.02 0.02) = 0.397% HG3 GLU- 107 - QG2 THR 61 3.333% * 0.3969% (0.18 1.00 0.02 0.02) = 0.397% HG3 GLU- 54 - QG2 THR 61 3.333% * 0.3730% (0.17 1.00 0.02 0.02) = 0.373% HG3 GLU- 10 - QG2 THR 61 3.333% * 0.3443% (0.16 1.00 0.02 0.02) = 0.344% HG3 GLN 16 - QG2 THR 61 3.333% * 0.3286% (0.15 1.00 0.02 0.02) = 0.329% HB3 GLU- 45 - QG2 THR 61 3.333% * 0.2953% (0.14 1.00 0.02 0.02) = 0.295% HB3 LYS+ 117 - QG2 THR 61 3.333% * 0.1928% (0.09 1.00 0.02 0.02) = 0.193% HG3 GLU- 75 - QG2 THR 61 3.333% * 0.1928% (0.09 1.00 0.02 0.02) = 0.193% HB3 PRO 112 - QG2 THR 61 3.333% * 0.1430% (0.07 1.00 0.02 0.11) = 0.143% HB2 PRO 52 - QG2 THR 61 3.333% * 0.1195% (0.05 1.00 0.02 0.02) = 0.120% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 301 (2.19, 4.38, 63.05 ppm): 36 chemical-shift based assignments, quality = 0.335, support = 3.46, residual support = 36.9: * O T HB3 PRO 104 - HA PRO 104 2.778% * 43.2431% (0.40 10.0 10.00 3.87 38.93) = 43.243% kept O HG2 PRO 112 - HA PRO 112 2.778% * 39.7527% (0.37 10.0 1.00 3.80 39.48) = 39.753% kept O HG2 PRO 104 - HA PRO 104 2.778% * 11.0988% (0.10 10.0 1.00 2.34 38.93) = 11.099% kept T HB3 GLU- 75 - HA THR 95 2.778% * 4.0582% (0.14 1.0 10.00 0.53 0.02) = 4.058% kept T HB3 PRO 104 - HA THR 95 2.778% * 0.5248% (0.48 1.0 10.00 0.02 0.02) = 0.525% T HB3 PRO 104 - HA PRO 112 2.778% * 0.3490% (0.32 1.0 10.00 0.02 3.72) = 0.349% T HB3 GLU- 75 - HA PRO 104 2.778% * 0.1273% (0.12 1.0 10.00 0.02 0.02) = 0.127% T HB3 GLU- 75 - HA PRO 112 2.778% * 0.1028% (0.09 1.0 10.00 0.02 0.30) = 0.103% HG2 PRO 112 - HA THR 95 2.778% * 0.0598% (0.55 1.0 1.00 0.02 0.02) = 0.060% HG2 MET 126 - HA THR 95 2.778% * 0.0559% (0.51 1.0 1.00 0.02 0.02) = 0.056% HB VAL 99 - HA THR 95 2.778% * 0.0543% (0.50 1.0 1.00 0.02 0.02) = 0.054% HG2 PRO 112 - HA PRO 104 2.778% * 0.0493% (0.45 1.0 1.00 0.02 3.72) = 0.049% HG2 MET 126 - HA PRO 104 2.778% * 0.0460% (0.42 1.0 1.00 0.02 0.02) = 0.046% HB VAL 99 - HA PRO 104 2.778% * 0.0447% (0.41 1.0 1.00 0.02 0.02) = 0.045% HB2 ASP- 82 - HA THR 95 2.778% * 0.0416% (0.38 1.0 1.00 0.02 0.02) = 0.042% HG2 GLN 102 - HA THR 95 2.778% * 0.0391% (0.36 1.0 1.00 0.02 0.02) = 0.039% HG2 MET 126 - HA PRO 112 2.778% * 0.0371% (0.34 1.0 1.00 0.02 0.02) = 0.037% HB VAL 99 - HA PRO 112 2.778% * 0.0361% (0.33 1.0 1.00 0.02 0.02) = 0.036% HB2 ASP- 82 - HA PRO 104 2.778% * 0.0342% (0.32 1.0 1.00 0.02 0.02) = 0.034% HG2 GLN 102 - HA PRO 104 2.778% * 0.0322% (0.30 1.0 1.00 0.02 0.02) = 0.032% HB2 ASP- 82 - HA PRO 112 2.778% * 0.0276% (0.25 1.0 1.00 0.02 0.02) = 0.028% HG2 GLN 102 - HA PRO 112 2.778% * 0.0260% (0.24 1.0 1.00 0.02 0.02) = 0.026% HG3 MET 126 - HA THR 95 2.778% * 0.0187% (0.17 1.0 1.00 0.02 0.02) = 0.019% HG3 MET 126 - HA PRO 104 2.778% * 0.0154% (0.14 1.0 1.00 0.02 0.02) = 0.015% HA1 GLY 58 - HA THR 95 2.778% * 0.0135% (0.12 1.0 1.00 0.02 0.02) = 0.013% HG3 MET 97 - HA THR 95 2.778% * 0.0135% (0.12 1.0 1.00 0.02 0.60) = 0.013% HG2 PRO 104 - HA THR 95 2.778% * 0.0135% (0.12 1.0 1.00 0.02 0.02) = 0.013% HG3 MET 126 - HA PRO 112 2.778% * 0.0124% (0.11 1.0 1.00 0.02 0.02) = 0.012% HG3 MET 97 - HA PRO 104 2.778% * 0.0111% (0.10 1.0 1.00 0.02 0.02) = 0.011% HA1 GLY 58 - HA PRO 104 2.778% * 0.0111% (0.10 1.0 1.00 0.02 0.02) = 0.011% HB2 GLU- 50 - HA THR 95 2.778% * 0.0093% (0.09 1.0 1.00 0.02 0.02) = 0.009% HG3 MET 97 - HA PRO 112 2.778% * 0.0090% (0.08 1.0 1.00 0.02 0.02) = 0.009% HA1 GLY 58 - HA PRO 112 2.778% * 0.0090% (0.08 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 104 - HA PRO 112 2.778% * 0.0090% (0.08 1.0 1.00 0.02 3.72) = 0.009% HB2 GLU- 50 - HA PRO 104 2.778% * 0.0077% (0.07 1.0 1.00 0.02 0.02) = 0.008% HB2 GLU- 50 - HA PRO 112 2.778% * 0.0062% (0.06 1.0 1.00 0.02 0.02) = 0.006% Peak 311 (1.42, 1.42, 21.48 ppm): 2 diagonal assignments: HD3 LYS+ 44 - HD3 LYS+ 44 (0.93) kept QG2 THR 38 - QG2 THR 38 (0.74) kept Peak 328 (0.92, 4.38, 62.87 ppm): 45 chemical-shift based assignments, quality = 0.0706, support = 1.07, residual support = 5.95: QG2 VAL 105 - HA PRO 104 2.222% * 33.3662% (0.09 1.58 9.44) = 33.366% kept QG1 VAL 105 - HA PRO 104 2.222% * 29.2012% (0.08 1.58 9.44) = 29.201% kept QG2 VAL 40 - HA THR 95 2.222% * 6.4915% (0.08 0.37 0.02) = 6.492% kept QG1 VAL 47 - HA PRO 104 2.222% * 6.4568% (0.07 0.41 0.02) = 6.457% kept QG2 VAL 62 - HA PRO 112 2.222% * 2.9138% (0.03 0.42 0.10) = 2.914% kept QG2 ILE 29 - HA PRO 112 2.222% * 2.4617% (0.02 0.57 0.85) = 2.462% kept HG12 ILE 68 - HA PRO 104 2.222% * 2.2097% (0.13 0.08 0.02) = 2.210% kept QD1 LEU 67 - HA THR 95 2.222% * 2.0304% (0.11 0.08 0.28) = 2.030% kept QG2 VAL 73 - HA PRO 112 2.222% * 1.4037% (0.02 0.29 0.41) = 1.404% kept QG2 VAL 80 - HA THR 95 2.222% * 0.8432% (0.18 0.02 0.70) = 0.843% HG3 LYS+ 110 - HA THR 95 2.222% * 0.8048% (0.18 0.02 0.19) = 0.805% HG12 ILE 68 - HA THR 95 2.222% * 0.7630% (0.17 0.02 0.02) = 0.763% QG2 VAL 80 - HA PRO 104 2.222% * 0.6476% (0.14 0.02 0.02) = 0.648% HG3 LYS+ 110 - HA PRO 104 2.222% * 0.6181% (0.14 0.02 0.02) = 0.618% QG2 VAL 80 - HA PRO 112 2.222% * 0.5541% (0.12 0.02 0.02) = 0.554% QG2 VAL 105 - HA THR 95 2.222% * 0.5503% (0.12 0.02 0.02) = 0.550% HG3 LYS+ 117 - HA THR 95 2.222% * 0.5503% (0.12 0.02 0.02) = 0.550% HG3 LYS+ 110 - HA PRO 112 2.222% * 0.5288% (0.12 0.02 0.02) = 0.529% QD1 LEU 17 - HA THR 95 2.222% * 0.5160% (0.11 0.02 1.09) = 0.516% HG12 ILE 68 - HA PRO 112 2.222% * 0.5013% (0.11 0.02 0.02) = 0.501% QG1 VAL 105 - HA THR 95 2.222% * 0.4817% (0.11 0.02 0.02) = 0.482% HG3 LYS+ 117 - HA PRO 104 2.222% * 0.4227% (0.09 0.02 0.02) = 0.423% QG1 VAL 47 - HA THR 95 2.222% * 0.4141% (0.09 0.02 0.02) = 0.414% QD1 LEU 17 - HA PRO 104 2.222% * 0.3963% (0.09 0.02 0.02) = 0.396% QD1 LEU 67 - HA PRO 104 2.222% * 0.3699% (0.08 0.02 0.02) = 0.370% QG2 VAL 105 - HA PRO 112 2.222% * 0.3616% (0.08 0.02 0.02) = 0.362% HG3 LYS+ 117 - HA PRO 112 2.222% * 0.3616% (0.08 0.02 0.02) = 0.362% QG2 VAL 87 - HA THR 95 2.222% * 0.3497% (0.08 0.02 0.02) = 0.350% QD1 LEU 17 - HA PRO 112 2.222% * 0.3391% (0.07 0.02 0.02) = 0.339% QG1 VAL 105 - HA PRO 112 2.222% * 0.3165% (0.07 0.02 0.02) = 0.316% QD1 LEU 67 - HA PRO 112 2.222% * 0.3165% (0.07 0.02 0.02) = 0.316% QG1 VAL 47 - HA PRO 112 2.222% * 0.2721% (0.06 0.02 0.02) = 0.272% QG2 VAL 40 - HA PRO 104 2.222% * 0.2686% (0.06 0.02 0.02) = 0.269% QG2 VAL 87 - HA PRO 104 2.222% * 0.2686% (0.06 0.02 0.02) = 0.269% QG2 VAL 40 - HA PRO 112 2.222% * 0.2298% (0.05 0.02 0.02) = 0.230% QG2 VAL 87 - HA PRO 112 2.222% * 0.2298% (0.05 0.02 0.02) = 0.230% QG2 VAL 62 - HA THR 95 2.222% * 0.2121% (0.05 0.02 0.02) = 0.212% QG2 VAL 62 - HA PRO 104 2.222% * 0.1629% (0.04 0.02 0.02) = 0.163% QG2 VAL 73 - HA THR 95 2.222% * 0.1490% (0.03 0.02 0.02) = 0.149% QG2 ILE 29 - HA THR 95 2.222% * 0.1313% (0.03 0.02 0.02) = 0.131% QG1 VAL 80 - HA THR 95 2.222% * 0.1313% (0.03 0.02 0.70) = 0.131% QG2 VAL 73 - HA PRO 104 2.222% * 0.1144% (0.03 0.02 0.02) = 0.114% QG2 ILE 29 - HA PRO 104 2.222% * 0.1008% (0.02 0.02 0.02) = 0.101% QG1 VAL 80 - HA PRO 104 2.222% * 0.1008% (0.02 0.02 0.02) = 0.101% QG1 VAL 80 - HA PRO 112 2.222% * 0.0863% (0.02 0.02 0.02) = 0.086% Peak 342 (0.82, 0.82, 21.38 ppm): 1 diagonal assignment: * QG1 VAL 94 - QG1 VAL 94 (0.75) kept Peak 362 (9.09, 4.19, 62.54 ppm): 10 chemical-shift based assignments, quality = 0.555, support = 3.3, residual support = 12.7: O HN LYS+ 66 - HA VAL 65 10.000% * 99.6285% (0.56 10.0 3.31 12.79) = 99.628% kept HN GLU- 54 - HA VAL 65 10.000% * 0.0832% (0.47 1.0 0.02 0.02) = 0.083% HN LYS+ 66 - HA VAL 105 10.000% * 0.0697% (0.39 1.0 0.02 0.02) = 0.070% HN GLU- 54 - HA VAL 105 10.000% * 0.0582% (0.33 1.0 0.02 0.02) = 0.058% HN LYS+ 66 - HB3 SER 49 10.000% * 0.0510% (0.28 1.0 0.02 0.02) = 0.051% HN GLU- 54 - HB3 SER 49 10.000% * 0.0426% (0.24 1.0 0.02 0.02) = 0.043% HN LYS+ 66 - HA VAL 73 10.000% * 0.0290% (0.16 1.0 0.02 0.02) = 0.029% HN GLU- 54 - HA VAL 73 10.000% * 0.0242% (0.14 1.0 0.02 0.02) = 0.024% HN LYS+ 66 - HA VAL 87 10.000% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% HN GLU- 54 - HA VAL 87 10.000% * 0.0062% (0.03 1.0 0.02 0.02) = 0.006% Peak 363 (8.44, 4.01, 62.59 ppm): 6 chemical-shift based assignments, quality = 0.508, support = 0.135, residual support = 0.02: HN LEU 74 - HA VAL 13 16.667% * 45.3803% (0.76 0.11 0.02) = 45.380% kept HN LYS+ 117 - HA VAL 13 16.667% * 27.1539% (0.21 0.25 0.02) = 27.154% kept HN GLY 92 - HA VAL 13 16.667% * 11.4875% (0.18 0.12 0.02) = 11.487% kept HN ARG+ 53 - HA VAL 13 16.667% * 6.3605% (0.60 0.02 0.02) = 6.360% kept HN CYS 123 - HA VAL 13 16.667% * 6.0168% (0.57 0.02 0.02) = 6.017% kept HN GLU- 107 - HA VAL 13 16.667% * 3.6010% (0.34 0.02 0.02) = 3.601% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 364 (8.34, 4.06, 62.55 ppm): 14 chemical-shift based assignments, quality = 0.305, support = 2.72, residual support = 15.1: HN GLU- 50 - HB2 SER 49 7.143% * 59.0231% (0.40 3.16 17.80) = 59.023% kept * HN GLU- 50 - HB3 SER 49 7.143% * 25.8500% (0.18 3.16 17.80) = 25.850% kept HN ALA 103 - HB3 SER 49 7.143% * 4.1839% (0.18 0.51 0.02) = 4.184% kept HN GLY 71 - HB2 SER 49 7.143% * 3.0482% (0.14 0.46 0.02) = 3.048% kept HN LYS+ 108 - HB2 SER 49 7.143% * 2.2339% (0.28 0.17 0.02) = 2.234% kept HN GLY 114 - HB2 SER 49 7.143% * 2.2063% (0.19 0.25 0.52) = 2.206% kept HN LYS+ 108 - HB3 SER 49 7.143% * 0.9784% (0.12 0.17 0.02) = 0.978% HN GLY 114 - HB3 SER 49 7.143% * 0.9663% (0.08 0.25 0.52) = 0.966% HN GLU- 109 - HB2 SER 49 7.143% * 0.3978% (0.43 0.02 0.02) = 0.398% HN ALA 103 - HB2 SER 49 7.143% * 0.3738% (0.40 0.02 0.02) = 0.374% HN ASN 76 - HB3 SER 49 7.143% * 0.3727% (0.06 0.13 0.02) = 0.373% HN GLU- 109 - HB3 SER 49 7.143% * 0.1742% (0.19 0.02 0.02) = 0.174% HN ASN 76 - HB2 SER 49 7.143% * 0.1330% (0.14 0.02 0.02) = 0.133% HN GLY 71 - HB3 SER 49 7.143% * 0.0583% (0.06 0.02 0.02) = 0.058% Peak 365 (8.27, 4.13, 62.46 ppm): 15 chemical-shift based assignments, quality = 0.0826, support = 2.22, residual support = 3.32: O HN THR 106 - HA VAL 105 6.667% * 82.0033% (0.07 10.0 2.62 4.01) = 82.003% kept HN THR 106 - HB3 SER 49 6.667% * 6.2049% (0.16 1.0 0.71 0.45) = 6.205% kept HN ALA 91 - HA LYS+ 110 6.667% * 5.0576% (0.17 1.0 0.52 0.13) = 5.058% kept HN ASP- 115 - HB3 SER 49 6.667% * 2.3688% (0.18 1.0 0.23 0.02) = 2.369% kept HN ASN 89 - HA LYS+ 110 6.667% * 0.9330% (0.83 1.0 0.02 0.02) = 0.933% HN ASP- 28 - HA VAL 105 6.667% * 0.8794% (0.09 1.0 0.17 0.02) = 0.879% HN ASP- 28 - HA LYS+ 110 6.667% * 0.5983% (0.53 1.0 0.02 0.02) = 0.598% HN ASP- 115 - HA LYS+ 110 6.667% * 0.5584% (0.50 1.0 0.02 0.02) = 0.558% HN THR 106 - HA LYS+ 110 6.667% * 0.4801% (0.43 1.0 0.02 0.02) = 0.480% HN ASN 89 - HB3 SER 49 6.667% * 0.3394% (0.30 1.0 0.02 0.02) = 0.339% HN ASP- 28 - HB3 SER 49 6.667% * 0.2176% (0.19 1.0 0.02 0.02) = 0.218% HN ASN 89 - HA VAL 105 6.667% * 0.1594% (0.14 1.0 0.02 0.02) = 0.159% HN ASP- 115 - HA VAL 105 6.667% * 0.0954% (0.08 1.0 0.02 0.02) = 0.095% HN ALA 91 - HB3 SER 49 6.667% * 0.0710% (0.06 1.0 0.02 0.02) = 0.071% HN ALA 91 - HA VAL 105 6.667% * 0.0333% (0.03 1.0 0.02 0.02) = 0.033% Not enough quality. Peak unassigned. Peak 366 (8.07, 4.01, 62.55 ppm): 6 chemical-shift based assignments, quality = 0.657, support = 1.24, residual support = 1.6: HN LYS+ 110 - HA VAL 13 16.667% * 31.1808% (0.61 1.86 4.14) = 31.181% kept HN MET 118 - HA VAL 13 16.667% * 21.2552% (0.77 1.00 0.44) = 21.255% kept HN GLU- 75 - HA VAL 13 16.667% * 20.3393% (0.67 1.10 0.56) = 20.339% kept * HN ASN 15 - HA VAL 13 16.667% * 16.6327% (0.64 0.94 0.52) = 16.633% kept HN CYS 121 - HA VAL 13 16.667% * 10.2521% (0.61 0.61 0.14) = 10.252% kept HN VAL 122 - HA VAL 13 16.667% * 0.3399% (0.15 0.08 0.02) = 0.340% Peak 367 (7.80, 4.16, 62.61 ppm): 24 chemical-shift based assignments, quality = 0.354, support = 3.4, residual support = 16.1: * O HN VAL 87 - HA VAL 87 4.167% * 76.4909% (0.29 10.0 4.21 20.87) = 76.491% kept HN THR 46 - HA VAL 105 4.167% * 9.7622% (0.81 1.0 0.91 0.88) = 9.762% kept HN THR 46 - HB3 SER 49 4.167% * 5.9470% (0.46 1.0 0.98 0.02) = 5.947% kept HN ALA 93 - HB3 SER 49 4.167% * 4.2340% (0.51 1.0 0.63 0.28) = 4.234% kept HN THR 46 - HA VAL 87 4.167% * 1.6037% (0.28 1.0 0.44 0.02) = 1.604% kept HN ALA 93 - HA VAL 105 4.167% * 0.2363% (0.90 1.0 0.02 0.02) = 0.236% HN VAL 87 - HA VAL 105 4.167% * 0.2221% (0.84 1.0 0.02 0.02) = 0.222% HN LYS+ 55 - HA VAL 105 4.167% * 0.1553% (0.59 1.0 0.02 0.02) = 0.155% HN VAL 87 - HB3 SER 49 4.167% * 0.1260% (0.48 1.0 0.02 0.02) = 0.126% HN ALA 93 - HA VAL 65 4.167% * 0.1242% (0.47 1.0 0.02 0.02) = 0.124% HN VAL 87 - HA VAL 65 4.167% * 0.1167% (0.44 1.0 0.02 0.02) = 0.117% HN THR 46 - HA VAL 65 4.167% * 0.1124% (0.43 1.0 0.02 0.02) = 0.112% HN ALA 93 - HA LYS+ 110 4.167% * 0.1039% (0.39 1.0 0.02 0.02) = 0.104% HN VAL 87 - HA LYS+ 110 4.167% * 0.0976% (0.37 1.0 0.02 0.02) = 0.098% HN THR 46 - HA LYS+ 110 4.167% * 0.0940% (0.36 1.0 0.02 0.02) = 0.094% HN LYS+ 55 - HB3 SER 49 4.167% * 0.0881% (0.33 1.0 0.02 0.02) = 0.088% HN LYS+ 55 - HA VAL 65 4.167% * 0.0816% (0.31 1.0 0.02 0.02) = 0.082% HN ALA 93 - HA VAL 87 4.167% * 0.0814% (0.31 1.0 0.02 0.02) = 0.081% HN LYS+ 55 - HA LYS+ 110 4.167% * 0.0682% (0.26 1.0 0.02 0.02) = 0.068% HN ALA 93 - HA VAL 73 4.167% * 0.0574% (0.22 1.0 0.02 0.02) = 0.057% HN VAL 87 - HA VAL 73 4.167% * 0.0540% (0.20 1.0 0.02 0.02) = 0.054% HN LYS+ 55 - HA VAL 87 4.167% * 0.0535% (0.20 1.0 0.02 0.02) = 0.053% HN THR 46 - HA VAL 73 4.167% * 0.0520% (0.20 1.0 0.02 0.02) = 0.052% HN LYS+ 55 - HA VAL 73 4.167% * 0.0377% (0.14 1.0 0.02 0.02) = 0.038% Peak 368 (7.58, 0.70, 21.22 ppm): 10 chemical-shift based assignments, quality = 0.681, support = 4.66, residual support = 28.1: * HN VAL 65 - QG1 VAL 65 10.000% * 95.0076% (0.71 4.89 29.62) = 95.008% kept HN VAL 65 - QG2 THR 96 10.000% * 3.0359% (0.29 0.38 0.02) = 3.036% kept HN LYS+ 78 - QG1 VAL 65 10.000% * 0.4938% (0.90 0.02 0.02) = 0.494% HD21 ASN 15 - QG1 VAL 65 10.000% * 0.4283% (0.78 0.02 0.02) = 0.428% HD22 ASN 119 - QG1 VAL 65 10.000% * 0.3884% (0.71 0.02 0.02) = 0.388% HN LYS+ 78 - QG2 THR 96 10.000% * 0.2048% (0.37 0.02 0.02) = 0.205% HD21 ASN 15 - QG2 THR 96 10.000% * 0.1776% (0.32 0.02 0.02) = 0.178% HD22 ASN 119 - QG2 THR 96 10.000% * 0.1611% (0.29 0.02 0.02) = 0.161% HN ASP- 25 - QG1 VAL 65 10.000% * 0.0724% (0.13 0.02 0.02) = 0.072% HN ASP- 25 - QG2 THR 96 10.000% * 0.0300% (0.05 0.02 0.02) = 0.030% Peak 372 (4.33, 0.92, 21.14 ppm): 6 chemical-shift based assignments, quality = 0.103, support = 0.474, residual support = 0.302: T HA ILE 29 - QG2 VAL 105 16.667% * 78.5155% (0.05 10.00 0.60 0.38) = 78.516% kept T HA ILE 29 - HG3 LYS+ 110 16.667% * 15.7329% (0.29 10.00 0.02 0.02) = 15.733% kept HA ALA 93 - HG3 LYS+ 110 16.667% * 2.4812% (0.46 1.00 0.02 0.02) = 2.481% kept HA ALA 93 - QG2 VAL 87 16.667% * 1.7478% (0.32 1.00 0.02 0.02) = 1.748% kept HA ILE 29 - QG2 VAL 87 16.667% * 1.1083% (0.20 1.00 0.02 0.02) = 1.108% kept HA ALA 93 - QG2 VAL 105 16.667% * 0.4143% (0.08 1.00 0.02 0.02) = 0.414% Not enough quality. Peak unassigned. Peak 374 (4.17, 4.16, 62.60 ppm): 5 diagonal assignments: * HA VAL 105 - HA VAL 105 (0.92) kept HB3 SER 49 - HB3 SER 49 (0.50) kept HA VAL 65 - HA VAL 65 (0.42) kept HA VAL 73 - HA VAL 73 (0.20) kept HA VAL 87 - HA VAL 87 (0.16) kept Peak 377 (4.01, 4.00, 62.58 ppm): 1 diagonal assignment: * HA VAL 13 - HA VAL 13 (0.74) kept Peak 379 (4.01, 0.82, 21.27 ppm): 8 chemical-shift based assignments, quality = 0.223, support = 2.14, residual support = 13.0: * O T HA VAL 13 - QG2 VAL 13 12.500% * 73.2585% (0.17 10.0 10.00 1.93 10.25) = 73.258% kept HB THR 95 - QG1 VAL 94 12.500% * 24.4075% (0.38 1.0 1.00 2.97 22.32) = 24.408% kept T HA VAL 13 - QG1 VAL 94 12.500% * 1.9416% (0.44 1.0 10.00 0.02 0.02) = 1.942% kept HA THR 38 - QG1 VAL 94 12.500% * 0.1942% (0.44 1.0 1.00 0.02 0.02) = 0.194% HA THR 38 - QG2 VAL 13 12.500% * 0.0733% (0.17 1.0 1.00 0.02 0.02) = 0.073% HB THR 95 - QG2 VAL 13 12.500% * 0.0620% (0.14 1.0 1.00 0.02 0.02) = 0.062% HA1 GLY 92 - QG1 VAL 94 12.500% * 0.0457% (0.10 1.0 1.00 0.02 0.02) = 0.046% HA1 GLY 92 - QG2 VAL 13 12.500% * 0.0172% (0.04 1.0 1.00 0.02 0.02) = 0.017% Peak 386 (3.45, 0.70, 21.19 ppm): 12 chemical-shift based assignments, quality = 0.434, support = 1.39, residual support = 0.999: T HA ILE 48 - QG1 VAL 65 8.333% * 78.4063% (0.45 10.00 1.68 1.27) = 78.406% kept T HA VAL 40 - QG2 THR 96 8.333% * 9.1147% (0.32 10.00 0.27 0.02) = 9.115% kept HA VAL 62 - QG1 VAL 65 8.333% * 4.8939% (0.80 1.00 0.59 0.02) = 4.894% kept T HA ILE 48 - QG2 THR 96 8.333% * 4.6920% (0.15 10.00 0.31 0.02) = 4.692% kept T HA1 GLY 71 - QG1 VAL 65 8.333% * 1.2596% (0.61 10.00 0.02 0.02) = 1.260% kept T HA VAL 62 - QG2 THR 96 8.333% * 0.5393% (0.26 10.00 0.02 0.02) = 0.539% T HA1 GLY 71 - QG2 THR 96 8.333% * 0.4085% (0.20 10.00 0.02 0.02) = 0.409% HA VAL 40 - QG1 VAL 65 8.333% * 0.2058% (0.99 1.00 0.02 0.02) = 0.206% HA VAL 80 - QG1 VAL 65 8.333% * 0.2036% (0.98 1.00 0.02 0.02) = 0.204% HD3 PRO 31 - QG1 VAL 65 8.333% * 0.1587% (0.76 1.00 0.02 0.02) = 0.159% HA VAL 80 - QG2 THR 96 8.333% * 0.0660% (0.32 1.00 0.02 0.02) = 0.066% HD3 PRO 31 - QG2 THR 96 8.333% * 0.0515% (0.25 1.00 0.02 0.02) = 0.051% Peak 389 (2.13, 4.15, 62.59 ppm): 60 chemical-shift based assignments, quality = 0.559, support = 1.8, residual support = 6.84: * O HB VAL 105 - HA VAL 105 1.667% * 40.2580% (0.81 10.0 1.00 1.50 5.92) = 40.258% kept T HG2 GLU- 45 - HB3 SER 49 1.667% * 35.0026% (0.53 1.0 10.00 2.46 4.72) = 35.003% kept O T HB VAL 87 - HA VAL 87 1.667% * 13.4095% (0.20 10.0 10.00 2.21 20.87) = 13.409% kept T HB3 GLU- 75 - HB3 SER 49 1.667% * 3.8427% (0.44 1.0 10.00 0.26 0.02) = 3.843% kept T HB3 GLU- 75 - HA VAL 73 1.667% * 3.3243% (0.13 1.0 10.00 0.75 0.02) = 3.324% kept T HB3 GLU- 75 - HA VAL 65 1.667% * 0.7813% (0.30 1.0 10.00 0.08 0.02) = 0.781% T HB3 GLU- 75 - HA VAL 105 1.667% * 0.4973% (0.75 1.0 10.00 0.02 0.02) = 0.497% T HB VAL 87 - HA VAL 105 1.667% * 0.3872% (0.58 1.0 10.00 0.02 0.02) = 0.387% T HB3 GLU- 75 - HA LYS+ 110 1.667% * 0.3189% (0.48 1.0 10.00 0.02 0.02) = 0.319% T HB VAL 87 - HA LYS+ 110 1.667% * 0.2483% (0.37 1.0 10.00 0.02 0.02) = 0.248% T HB2 GLU- 56 - HB3 SER 49 1.667% * 0.2426% (0.37 1.0 10.00 0.02 0.02) = 0.243% T HB VAL 87 - HB3 SER 49 1.667% * 0.2285% (0.34 1.0 10.00 0.02 0.02) = 0.228% T HB3 GLU- 75 - HA VAL 87 1.667% * 0.1722% (0.26 1.0 10.00 0.02 0.02) = 0.172% T HB VAL 87 - HA VAL 65 1.667% * 0.1564% (0.24 1.0 10.00 0.02 0.02) = 0.156% T HB VAL 47 - HB3 SER 49 1.667% * 0.1205% (0.18 1.0 10.00 0.02 0.02) = 0.120% T HB VAL 87 - HA VAL 73 1.667% * 0.0687% (0.10 1.0 10.00 0.02 0.02) = 0.069% HG2 GLU- 45 - HA VAL 105 1.667% * 0.0593% (0.89 1.0 1.00 0.02 0.32) = 0.059% HB2 ASP- 28 - HA VAL 105 1.667% * 0.0553% (0.83 1.0 1.00 0.02 0.02) = 0.055% HG2 PRO 112 - HA VAL 105 1.667% * 0.0539% (0.81 1.0 1.00 0.02 0.02) = 0.054% HB2 GLU- 56 - HA VAL 105 1.667% * 0.0411% (0.62 1.0 1.00 0.02 0.02) = 0.041% HG2 GLU- 45 - HA LYS+ 110 1.667% * 0.0380% (0.57 1.0 1.00 0.02 0.11) = 0.038% HB2 ASP- 28 - HA LYS+ 110 1.667% * 0.0354% (0.53 1.0 1.00 0.02 0.02) = 0.035% HG2 PRO 112 - HA LYS+ 110 1.667% * 0.0346% (0.52 1.0 1.00 0.02 0.02) = 0.035% HB VAL 105 - HA LYS+ 110 1.667% * 0.0344% (0.52 1.0 1.00 0.02 0.02) = 0.034% HB2 ASP- 28 - HB3 SER 49 1.667% * 0.0326% (0.49 1.0 1.00 0.02 0.02) = 0.033% HG2 PRO 112 - HB3 SER 49 1.667% * 0.0318% (0.48 1.0 1.00 0.02 0.02) = 0.032% HB VAL 105 - HB3 SER 49 1.667% * 0.0317% (0.48 1.0 1.00 0.02 0.02) = 0.032% HB3 LYS+ 78 - HA VAL 105 1.667% * 0.0291% (0.44 1.0 1.00 0.02 0.02) = 0.029% HB2 GLU- 56 - HA LYS+ 110 1.667% * 0.0264% (0.40 1.0 1.00 0.02 0.02) = 0.026% HB3 LEU 43 - HA VAL 105 1.667% * 0.0246% (0.37 1.0 1.00 0.02 0.02) = 0.025% HG2 GLU- 45 - HA VAL 65 1.667% * 0.0240% (0.36 1.0 1.00 0.02 0.02) = 0.024% HB2 ASP- 28 - HA VAL 65 1.667% * 0.0223% (0.34 1.0 1.00 0.02 0.02) = 0.022% HG2 PRO 112 - HA VAL 65 1.667% * 0.0218% (0.33 1.0 1.00 0.02 0.02) = 0.022% HB VAL 105 - HA VAL 65 1.667% * 0.0217% (0.33 1.0 1.00 0.02 0.02) = 0.022% HG2 GLU- 45 - HA VAL 87 1.667% * 0.0205% (0.31 1.0 1.00 0.02 1.57) = 0.021% HB VAL 47 - HA VAL 105 1.667% * 0.0204% (0.31 1.0 1.00 0.02 0.02) = 0.020% HB2 ASP- 28 - HA VAL 87 1.667% * 0.0191% (0.29 1.0 1.00 0.02 0.02) = 0.019% HB3 LYS+ 78 - HA LYS+ 110 1.667% * 0.0187% (0.28 1.0 1.00 0.02 0.02) = 0.019% HG2 PRO 112 - HA VAL 87 1.667% * 0.0187% (0.28 1.0 1.00 0.02 0.02) = 0.019% HB VAL 105 - HA VAL 87 1.667% * 0.0186% (0.28 1.0 1.00 0.02 0.02) = 0.019% HB3 LYS+ 78 - HB3 SER 49 1.667% * 0.0172% (0.26 1.0 1.00 0.02 0.02) = 0.017% HB2 GLU- 56 - HA VAL 65 1.667% * 0.0166% (0.25 1.0 1.00 0.02 0.02) = 0.017% HB3 LEU 43 - HA LYS+ 110 1.667% * 0.0158% (0.24 1.0 1.00 0.02 0.11) = 0.016% HB3 LEU 43 - HB3 SER 49 1.667% * 0.0145% (0.22 1.0 1.00 0.02 0.02) = 0.015% HB2 GLU- 56 - HA VAL 87 1.667% * 0.0142% (0.21 1.0 1.00 0.02 0.02) = 0.014% HB VAL 47 - HA LYS+ 110 1.667% * 0.0131% (0.20 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 78 - HA VAL 65 1.667% * 0.0118% (0.18 1.0 1.00 0.02 0.02) = 0.012% HG2 GLU- 45 - HA VAL 73 1.667% * 0.0105% (0.16 1.0 1.00 0.02 1.63) = 0.011% HB3 LYS+ 78 - HA VAL 87 1.667% * 0.0101% (0.15 1.0 1.00 0.02 0.02) = 0.010% HB3 LEU 43 - HA VAL 65 1.667% * 0.0099% (0.15 1.0 1.00 0.02 0.02) = 0.010% HB2 ASP- 28 - HA VAL 73 1.667% * 0.0098% (0.15 1.0 1.00 0.02 0.02) = 0.010% HG2 PRO 112 - HA VAL 73 1.667% * 0.0096% (0.14 1.0 1.00 0.02 0.41) = 0.010% HB VAL 105 - HA VAL 73 1.667% * 0.0095% (0.14 1.0 1.00 0.02 0.02) = 0.010% HB3 LEU 43 - HA VAL 87 1.667% * 0.0085% (0.13 1.0 1.00 0.02 0.02) = 0.009% HB VAL 47 - HA VAL 65 1.667% * 0.0082% (0.12 1.0 1.00 0.02 0.02) = 0.008% HB2 GLU- 56 - HA VAL 73 1.667% * 0.0073% (0.11 1.0 1.00 0.02 0.02) = 0.007% HB VAL 47 - HA VAL 87 1.667% * 0.0071% (0.11 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 78 - HA VAL 73 1.667% * 0.0052% (0.08 1.0 1.00 0.02 0.02) = 0.005% HB3 LEU 43 - HA VAL 73 1.667% * 0.0044% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB VAL 47 - HA VAL 73 1.667% * 0.0036% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 390 (2.04, 4.13, 62.49 ppm): 42 chemical-shift based assignments, quality = 0.634, support = 1.72, residual support = 11.3: * O T HB3 LYS+ 110 - HA LYS+ 110 2.381% * 64.0690% (0.82 10.0 10.00 2.00 15.90) = 64.069% kept T HB2 GLU- 45 - HB3 SER 49 2.381% * 22.8257% (0.35 1.0 10.00 1.66 4.72) = 22.826% kept T HB3 LYS+ 110 - HB3 SER 49 2.381% * 4.8628% (0.31 1.0 10.00 0.41 0.02) = 4.863% kept T HB3 GLU- 64 - HB3 SER 49 2.381% * 3.9364% (0.14 1.0 10.00 0.74 0.82) = 3.936% kept T HB3 GLU- 75 - HB3 SER 49 2.381% * 2.5534% (0.25 1.0 10.00 0.26 0.02) = 2.553% kept T HB3 GLU- 75 - HA LYS+ 110 2.381% * 0.5256% (0.67 1.0 10.00 0.02 0.02) = 0.526% T HG3 GLU- 64 - HB3 SER 49 2.381% * 0.1497% (0.19 1.0 10.00 0.02 0.82) = 0.150% T HB3 GLU- 75 - HA VAL 105 2.381% * 0.1442% (0.18 1.0 10.00 0.02 0.02) = 0.144% T HB3 GLU- 54 - HB3 SER 49 2.381% * 0.1385% (0.18 1.0 10.00 0.02 0.02) = 0.139% T HB3 GLU- 10 - HB3 SER 49 2.381% * 0.1068% (0.14 1.0 10.00 0.02 0.02) = 0.107% HG3 PRO 86 - HA LYS+ 110 2.381% * 0.0765% (0.98 1.0 1.00 0.02 0.02) = 0.077% HB2 GLU- 45 - HA LYS+ 110 2.381% * 0.0740% (0.95 1.0 1.00 0.02 0.11) = 0.074% HG2 PRO 112 - HA LYS+ 110 2.381% * 0.0519% (0.67 1.0 1.00 0.02 0.02) = 0.052% T HB3 GLU- 107 - HB3 SER 49 2.381% * 0.0498% (0.06 1.0 10.00 0.02 0.02) = 0.050% HG3 GLU- 64 - HA LYS+ 110 2.381% * 0.0404% (0.52 1.0 1.00 0.02 0.02) = 0.040% HB3 GLU- 54 - HA LYS+ 110 2.381% * 0.0373% (0.48 1.0 1.00 0.02 0.02) = 0.037% HB3 GLU- 64 - HA LYS+ 110 2.381% * 0.0288% (0.37 1.0 1.00 0.02 0.02) = 0.029% HB3 GLU- 10 - HA LYS+ 110 2.381% * 0.0288% (0.37 1.0 1.00 0.02 0.02) = 0.029% HG3 PRO 86 - HB3 SER 49 2.381% * 0.0284% (0.36 1.0 1.00 0.02 0.02) = 0.028% HB3 PRO 31 - HA LYS+ 110 2.381% * 0.0237% (0.30 1.0 1.00 0.02 0.02) = 0.024% HB VAL 62 - HA LYS+ 110 2.381% * 0.0237% (0.30 1.0 1.00 0.02 0.02) = 0.024% HG3 PRO 86 - HA VAL 105 2.381% * 0.0210% (0.27 1.0 1.00 0.02 0.02) = 0.021% HB2 GLU- 45 - HA VAL 105 2.381% * 0.0203% (0.26 1.0 1.00 0.02 0.32) = 0.020% HG2 PRO 112 - HB3 SER 49 2.381% * 0.0192% (0.25 1.0 1.00 0.02 0.02) = 0.019% HB3 LYS+ 110 - HA VAL 105 2.381% * 0.0176% (0.23 1.0 1.00 0.02 0.02) = 0.018% HB ILE 101 - HA LYS+ 110 2.381% * 0.0171% (0.22 1.0 1.00 0.02 0.77) = 0.017% HG2 PRO 112 - HA VAL 105 2.381% * 0.0142% (0.18 1.0 1.00 0.02 0.02) = 0.014% HB3 GLU- 107 - HA LYS+ 110 2.381% * 0.0134% (0.17 1.0 1.00 0.02 0.02) = 0.013% HG2 PRO 116 - HA LYS+ 110 2.381% * 0.0118% (0.15 1.0 1.00 0.02 0.02) = 0.012% HG3 GLU- 64 - HA VAL 105 2.381% * 0.0111% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB3 GLU- 54 - HA VAL 105 2.381% * 0.0102% (0.13 1.0 1.00 0.02 0.02) = 0.010% HB3 PRO 31 - HB3 SER 49 2.381% * 0.0088% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB VAL 62 - HB3 SER 49 2.381% * 0.0088% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 10 - HA VAL 105 2.381% * 0.0079% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 64 - HA VAL 105 2.381% * 0.0079% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 PRO 31 - HA VAL 105 2.381% * 0.0065% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB VAL 62 - HA VAL 105 2.381% * 0.0065% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB ILE 101 - HB3 SER 49 2.381% * 0.0063% (0.08 1.0 1.00 0.02 2.59) = 0.006% HB ILE 101 - HA VAL 105 2.381% * 0.0047% (0.06 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 116 - HB3 SER 49 2.381% * 0.0044% (0.06 1.0 1.00 0.02 0.02) = 0.004% HB3 GLU- 107 - HA VAL 105 2.381% * 0.0037% (0.05 1.0 1.00 0.02 0.11) = 0.004% HG2 PRO 116 - HA VAL 105 2.381% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 391 (2.05, 0.91, 21.27 ppm): 56 chemical-shift based assignments, quality = 0.605, support = 2.1, residual support = 17.3: T HG3 PRO 86 - QG2 VAL 87 1.786% * 54.2044% (0.72 1.0 10.00 2.46 20.31) = 54.204% kept * O T HB3 LYS+ 110 - HG3 LYS+ 110 1.786% * 39.3380% (0.52 10.0 10.00 1.93 15.90) = 39.338% kept T HG3 PRO 86 - HG3 LYS+ 110 1.786% * 1.8719% (0.65 1.0 10.00 0.08 0.02) = 1.872% kept T HB3 GLU- 75 - QG2 VAL 80 1.786% * 0.6220% (0.19 1.0 10.00 0.09 0.02) = 0.622% T HB3 LYS+ 110 - QG2 VAL 87 1.786% * 0.4340% (0.57 1.0 10.00 0.02 0.02) = 0.434% T HB3 GLU- 75 - QG2 VAL 87 1.786% * 0.3770% (0.50 1.0 10.00 0.02 0.02) = 0.377% T HG2 PRO 112 - QG2 VAL 87 1.786% * 0.3682% (0.49 1.0 10.00 0.02 0.02) = 0.368% T HB3 GLU- 75 - HG3 LYS+ 110 1.786% * 0.3417% (0.45 1.0 10.00 0.02 0.02) = 0.342% T HG2 PRO 112 - HG3 LYS+ 110 1.786% * 0.3337% (0.44 1.0 10.00 0.02 0.02) = 0.334% T HG3 PRO 86 - QG2 VAL 105 1.786% * 0.2307% (0.30 1.0 10.00 0.02 0.02) = 0.231% T HG3 PRO 86 - QG2 VAL 80 1.786% * 0.2036% (0.27 1.0 10.00 0.02 0.02) = 0.204% T HB3 LYS+ 110 - QG2 VAL 105 1.786% * 0.1847% (0.24 1.0 10.00 0.02 0.02) = 0.185% T HB3 LYS+ 110 - QG2 VAL 80 1.786% * 0.1630% (0.22 1.0 10.00 0.02 0.02) = 0.163% T HB3 GLU- 75 - QG2 VAL 105 1.786% * 0.1605% (0.21 1.0 10.00 0.02 0.02) = 0.160% T HG2 PRO 112 - QG2 VAL 105 1.786% * 0.1567% (0.21 1.0 10.00 0.02 0.02) = 0.157% T HG2 PRO 112 - QG2 VAL 80 1.786% * 0.1383% (0.18 1.0 10.00 0.02 0.02) = 0.138% T HB3 GLU- 64 - QG2 VAL 105 1.786% * 0.0787% (0.10 1.0 10.00 0.02 0.02) = 0.079% T HB VAL 62 - QG2 VAL 105 1.786% * 0.0787% (0.10 1.0 10.00 0.02 0.02) = 0.079% T HG2 PRO 116 - QG2 VAL 87 1.786% * 0.0734% (0.10 1.0 10.00 0.02 0.02) = 0.073% T HG2 PRO 116 - HG3 LYS+ 110 1.786% * 0.0665% (0.09 1.0 10.00 0.02 0.02) = 0.066% HB2 GLU- 45 - QG2 VAL 87 1.786% * 0.0531% (0.70 1.0 1.00 0.02 1.57) = 0.053% HB2 GLU- 45 - HG3 LYS+ 110 1.786% * 0.0482% (0.64 1.0 1.00 0.02 0.11) = 0.048% T HG2 PRO 116 - QG2 VAL 105 1.786% * 0.0312% (0.04 1.0 10.00 0.02 0.02) = 0.031% T HG2 PRO 116 - QG2 VAL 80 1.786% * 0.0275% (0.04 1.0 10.00 0.02 0.02) = 0.028% HG3 GLU- 64 - QG2 VAL 87 1.786% * 0.0264% (0.35 1.0 1.00 0.02 0.02) = 0.026% HB3 GLU- 54 - QG2 VAL 87 1.786% * 0.0243% (0.32 1.0 1.00 0.02 0.02) = 0.024% HG3 GLU- 64 - HG3 LYS+ 110 1.786% * 0.0239% (0.32 1.0 1.00 0.02 0.02) = 0.024% HB2 GLU- 45 - QG2 VAL 105 1.786% * 0.0226% (0.30 1.0 1.00 0.02 0.32) = 0.023% HB3 GLU- 54 - HG3 LYS+ 110 1.786% * 0.0220% (0.29 1.0 1.00 0.02 0.02) = 0.022% HB2 GLU- 45 - QG2 VAL 80 1.786% * 0.0200% (0.26 1.0 1.00 0.02 0.02) = 0.020% HB3 GLU- 10 - QG2 VAL 87 1.786% * 0.0185% (0.24 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 64 - QG2 VAL 87 1.786% * 0.0185% (0.24 1.0 1.00 0.02 0.02) = 0.018% HB VAL 62 - QG2 VAL 87 1.786% * 0.0185% (0.24 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 10 - HG3 LYS+ 110 1.786% * 0.0168% (0.22 1.0 1.00 0.02 0.02) = 0.017% HB3 GLU- 64 - HG3 LYS+ 110 1.786% * 0.0168% (0.22 1.0 1.00 0.02 0.02) = 0.017% HB VAL 62 - HG3 LYS+ 110 1.786% * 0.0168% (0.22 1.0 1.00 0.02 0.02) = 0.017% HB3 PRO 31 - QG2 VAL 87 1.786% * 0.0151% (0.20 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 31 - HG3 LYS+ 110 1.786% * 0.0137% (0.18 1.0 1.00 0.02 0.02) = 0.014% HB ILE 101 - QG2 VAL 87 1.786% * 0.0135% (0.18 1.0 1.00 0.02 0.02) = 0.014% HB ILE 101 - HG3 LYS+ 110 1.786% * 0.0122% (0.16 1.0 1.00 0.02 0.77) = 0.012% HG3 GLU- 64 - QG2 VAL 105 1.786% * 0.0112% (0.15 1.0 1.00 0.02 0.02) = 0.011% HB3 GLU- 54 - QG2 VAL 105 1.786% * 0.0103% (0.14 1.0 1.00 0.02 0.02) = 0.010% HG3 GLU- 64 - QG2 VAL 80 1.786% * 0.0099% (0.13 1.0 1.00 0.02 0.02) = 0.010% HB3 GLU- 54 - QG2 VAL 80 1.786% * 0.0091% (0.12 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 107 - QG2 VAL 87 1.786% * 0.0084% (0.11 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 10 - QG2 VAL 105 1.786% * 0.0079% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 107 - HG3 LYS+ 110 1.786% * 0.0076% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 64 - QG2 VAL 80 1.786% * 0.0069% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB3 GLU- 10 - QG2 VAL 80 1.786% * 0.0069% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB VAL 62 - QG2 VAL 80 1.786% * 0.0069% (0.09 1.0 1.00 0.02 0.88) = 0.007% HB3 PRO 31 - QG2 VAL 105 1.786% * 0.0064% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB ILE 101 - QG2 VAL 105 1.786% * 0.0058% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 31 - QG2 VAL 80 1.786% * 0.0057% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB ILE 101 - QG2 VAL 80 1.786% * 0.0051% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB3 GLU- 107 - QG2 VAL 105 1.786% * 0.0036% (0.05 1.0 1.00 0.02 0.11) = 0.004% HB3 GLU- 107 - QG2 VAL 80 1.786% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 393 (1.98, 4.18, 62.90 ppm): 75 chemical-shift based assignments, quality = 0.562, support = 2.13, residual support = 18.7: * O T HB VAL 73 - HA VAL 73 1.333% * 69.5245% (0.72 10.0 10.00 2.66 24.82) = 69.525% kept T HB3 MET 118 - HB3 SER 49 1.333% * 7.5040% (0.24 1.0 10.00 0.64 0.02) = 7.504% kept HB2 PRO 86 - HA VAL 87 1.333% * 6.4519% (0.51 1.0 1.00 2.60 20.31) = 6.452% kept T HB3 GLU- 75 - HA VAL 73 1.333% * 5.4092% (0.15 1.0 10.00 0.75 0.02) = 5.409% kept T HB3 GLU- 75 - HB3 SER 49 1.333% * 1.6610% (0.13 1.0 10.00 0.26 0.02) = 1.661% kept HG3 PRO 104 - HA VAL 105 1.333% * 1.3876% (0.18 1.0 1.00 1.57 9.44) = 1.388% kept T HB2 PRO 86 - HA VAL 73 1.333% * 0.9490% (0.98 1.0 10.00 0.02 0.02) = 0.949% T HB2 PRO 86 - HB3 SER 49 1.333% * 0.8380% (0.86 1.0 10.00 0.02 0.02) = 0.838% T HB2 LYS+ 108 - HB3 SER 49 1.333% * 0.8287% (0.85 1.0 10.00 0.02 0.02) = 0.829% T HB3 GLU- 56 - HB3 SER 49 1.333% * 0.7582% (0.78 1.0 10.00 0.02 0.02) = 0.758% T HB VAL 73 - HB3 SER 49 1.333% * 0.6139% (0.63 1.0 10.00 0.02 0.02) = 0.614% T HB2 PRO 86 - HA VAL 65 1.333% * 0.5206% (0.54 1.0 10.00 0.02 0.02) = 0.521% T HB VAL 73 - HA VAL 65 1.333% * 0.3814% (0.39 1.0 10.00 0.02 0.02) = 0.381% T HB3 GLU- 75 - HA VAL 65 1.333% * 0.3065% (0.08 1.0 10.00 0.08 0.02) = 0.306% T HB3 GLU- 109 - HB3 SER 49 1.333% * 0.2609% (0.27 1.0 10.00 0.02 0.02) = 0.261% T HB2 HIS+ 14 - HB3 SER 49 1.333% * 0.2351% (0.24 1.0 10.00 0.02 0.02) = 0.235% T HB2 PRO 86 - HA VAL 105 1.333% * 0.2184% (0.22 1.0 10.00 0.02 0.02) = 0.218% T HB VAL 13 - HB3 SER 49 1.333% * 0.1882% (0.19 1.0 10.00 0.02 0.02) = 0.188% T HB2 GLU- 18 - HB3 SER 49 1.333% * 0.1673% (0.17 1.0 10.00 0.02 0.02) = 0.167% T HB VAL 73 - HA VAL 105 1.333% * 0.1600% (0.16 1.0 10.00 0.02 0.02) = 0.160% T HB3 MET 118 - HA VAL 87 1.333% * 0.1394% (0.14 1.0 10.00 0.02 0.02) = 0.139% T HB2 PRO 35 - HB3 SER 49 1.333% * 0.1305% (0.13 1.0 10.00 0.02 0.02) = 0.130% HB2 LYS+ 108 - HA VAL 73 1.333% * 0.0938% (0.97 1.0 1.00 0.02 0.02) = 0.094% HB3 GLU- 56 - HA VAL 73 1.333% * 0.0859% (0.88 1.0 1.00 0.02 0.02) = 0.086% HG3 PRO 104 - HA VAL 73 1.333% * 0.0767% (0.79 1.0 1.00 0.02 0.02) = 0.077% T HB3 GLU- 75 - HA VAL 87 1.333% * 0.0752% (0.08 1.0 10.00 0.02 0.02) = 0.075% HG3 PRO 104 - HB3 SER 49 1.333% * 0.0677% (0.70 1.0 1.00 0.02 0.02) = 0.068% HB2 LYS+ 108 - HA VAL 65 1.333% * 0.0515% (0.53 1.0 1.00 0.02 0.02) = 0.051% HB2 LYS+ 108 - HA VAL 87 1.333% * 0.0491% (0.51 1.0 1.00 0.02 0.02) = 0.049% HB3 GLU- 56 - HA VAL 65 1.333% * 0.0471% (0.49 1.0 1.00 0.02 0.02) = 0.047% HG2 PRO 112 - HA VAL 73 1.333% * 0.0468% (0.48 1.0 1.00 0.02 0.41) = 0.047% HB3 GLU- 56 - HA VAL 87 1.333% * 0.0450% (0.46 1.0 1.00 0.02 0.02) = 0.045% HG3 PRO 104 - HA VAL 65 1.333% * 0.0421% (0.43 1.0 1.00 0.02 0.02) = 0.042% HG2 PRO 112 - HB3 SER 49 1.333% * 0.0414% (0.43 1.0 1.00 0.02 0.02) = 0.041% HG3 PRO 104 - HA VAL 87 1.333% * 0.0401% (0.41 1.0 1.00 0.02 0.02) = 0.040% HB VAL 73 - HA VAL 87 1.333% * 0.0364% (0.37 1.0 1.00 0.02 0.02) = 0.036% T HB3 GLU- 75 - HA VAL 105 1.333% * 0.0331% (0.03 1.0 10.00 0.02 0.02) = 0.033% HB3 GLU- 109 - HA VAL 73 1.333% * 0.0296% (0.30 1.0 1.00 0.02 0.02) = 0.030% HB3 MET 118 - HA VAL 73 1.333% * 0.0266% (0.27 1.0 1.00 0.02 0.02) = 0.027% HB2 HIS+ 14 - HA VAL 73 1.333% * 0.0266% (0.27 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 112 - HA VAL 65 1.333% * 0.0257% (0.26 1.0 1.00 0.02 0.02) = 0.026% HG2 PRO 112 - HA VAL 87 1.333% * 0.0245% (0.25 1.0 1.00 0.02 0.02) = 0.025% HB2 LYS+ 108 - HA VAL 105 1.333% * 0.0216% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB VAL 13 - HA VAL 73 1.333% * 0.0213% (0.22 1.0 1.00 0.02 0.02) = 0.021% HG3 PRO 112 - HA VAL 73 1.333% * 0.0213% (0.22 1.0 1.00 0.02 0.41) = 0.021% HB3 GLU- 56 - HA VAL 105 1.333% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 116 - HA VAL 73 1.333% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% HB2 GLU- 18 - HA VAL 73 1.333% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 112 - HB3 SER 49 1.333% * 0.0188% (0.19 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 116 - HB3 SER 49 1.333% * 0.0167% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB3 GLU- 109 - HA VAL 65 1.333% * 0.0162% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 109 - HA VAL 87 1.333% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB2 PRO 35 - HA VAL 73 1.333% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB2 HIS+ 14 - HA VAL 65 1.333% * 0.0146% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB3 MET 118 - HA VAL 65 1.333% * 0.0146% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB2 HIS+ 14 - HA VAL 87 1.333% * 0.0139% (0.14 1.0 1.00 0.02 0.02) = 0.014% HG3 PRO 112 - HA VAL 65 1.333% * 0.0117% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB VAL 13 - HA VAL 65 1.333% * 0.0117% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB VAL 13 - HA VAL 87 1.333% * 0.0112% (0.11 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 112 - HA VAL 87 1.333% * 0.0112% (0.11 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HA VAL 105 1.333% * 0.0108% (0.11 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 116 - HA VAL 65 1.333% * 0.0104% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB2 GLU- 18 - HA VAL 65 1.333% * 0.0104% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB2 GLU- 18 - HA VAL 87 1.333% * 0.0099% (0.10 1.0 1.00 0.02 0.02) = 0.010% HG3 PRO 116 - HA VAL 87 1.333% * 0.0099% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB2 PRO 35 - HA VAL 65 1.333% * 0.0081% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB2 PRO 35 - HA VAL 87 1.333% * 0.0077% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 109 - HA VAL 105 1.333% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 MET 118 - HA VAL 105 1.333% * 0.0061% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 HIS+ 14 - HA VAL 105 1.333% * 0.0061% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB VAL 13 - HA VAL 105 1.333% * 0.0049% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG3 PRO 112 - HA VAL 105 1.333% * 0.0049% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB2 GLU- 18 - HA VAL 105 1.333% * 0.0044% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG3 PRO 116 - HA VAL 105 1.333% * 0.0044% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 PRO 35 - HA VAL 105 1.333% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 394 (1.97, 4.00, 62.56 ppm): 12 chemical-shift based assignments, quality = 0.478, support = 1.93, residual support = 9.87: * O T HB VAL 13 - HA VAL 13 8.333% * 96.3113% (0.49 10.0 10.00 2.00 10.25) = 96.311% kept T HB2 LYS+ 108 - HA VAL 13 8.333% * 1.0272% (0.52 1.0 10.00 0.02 0.02) = 1.027% kept T HB2 PRO 35 - HA VAL 13 8.333% * 0.7729% (0.39 1.0 10.00 0.02 0.02) = 0.773% HG2 PRO 112 - HA VAL 13 8.333% * 0.6405% (0.37 1.0 1.00 0.18 0.02) = 0.641% T HB3 LYS+ 55 - HA VAL 13 8.333% * 0.3959% (0.20 1.0 10.00 0.02 0.02) = 0.396% HG3 PRO 104 - HA VAL 13 8.333% * 0.1584% (0.81 1.0 1.00 0.02 0.02) = 0.158% HB VAL 73 - HA VAL 13 8.333% * 0.1584% (0.81 1.0 1.00 0.02 0.02) = 0.158% HB3 GLU- 56 - HA VAL 13 8.333% * 0.1532% (0.78 1.0 1.00 0.02 0.02) = 0.153% HB2 PRO 86 - HA VAL 13 8.333% * 0.1326% (0.68 1.0 1.00 0.02 0.02) = 0.133% HB3 GLU- 109 - HA VAL 13 8.333% * 0.1153% (0.59 1.0 1.00 0.02 0.02) = 0.115% HG3 PRO 116 - HA VAL 13 8.333% * 0.0899% (0.46 1.0 1.00 0.02 0.02) = 0.090% HG3 PRO 31 - HA VAL 13 8.333% * 0.0441% (0.23 1.0 1.00 0.02 0.02) = 0.044% Peak 396 (1.64, 4.15, 62.61 ppm): 66 chemical-shift based assignments, quality = 0.353, support = 1.71, residual support = 4.71: T HG12 ILE 101 - HB3 SER 49 1.515% * 52.3213% (0.43 1.0 10.00 1.45 2.59) = 52.321% kept * O HG2 LYS+ 110 - HA LYS+ 110 1.515% * 16.1273% (0.10 10.0 1.00 3.00 15.90) = 16.127% kept HB ILE 68 - HA VAL 105 1.515% * 6.7122% (0.65 1.0 1.00 1.24 0.60) = 6.712% kept HB ILE 68 - HB3 SER 49 1.515% * 6.3095% (0.41 1.0 1.00 1.84 1.95) = 6.309% kept HG12 ILE 101 - HA LYS+ 110 1.515% * 3.6494% (0.42 1.0 1.00 1.04 0.77) = 3.649% kept HB ILE 68 - HA VAL 65 1.515% * 3.4082% (0.28 1.0 1.00 1.48 1.17) = 3.408% kept HG12 ILE 101 - HA VAL 65 1.515% * 3.1617% (0.29 1.0 1.00 1.31 5.60) = 3.162% kept HB3 LYS+ 66 - HA VAL 65 1.515% * 2.7080% (0.08 1.0 1.00 3.84 12.79) = 2.708% kept HB ILE 68 - HA VAL 73 1.515% * 1.8180% (0.13 1.0 1.00 1.63 1.95) = 1.818% kept HG LEU 43 - HA LYS+ 110 1.515% * 1.0129% (0.40 1.0 1.00 0.30 0.11) = 1.013% kept T HG3 ARG+ 84 - HB3 SER 49 1.515% * 0.3536% (0.21 1.0 10.00 0.02 0.02) = 0.354% HG2 ARG+ 22 - HA VAL 105 1.515% * 0.1336% (0.80 1.0 1.00 0.02 0.40) = 0.134% HG LEU 23 - HA VAL 105 1.515% * 0.1245% (0.74 1.0 1.00 0.02 0.12) = 0.124% HG12 ILE 101 - HA VAL 105 1.515% * 0.1139% (0.68 1.0 1.00 0.02 0.02) = 0.114% HG LEU 43 - HA VAL 105 1.515% * 0.1082% (0.65 1.0 1.00 0.02 0.02) = 0.108% HB VAL 122 - HA VAL 105 1.515% * 0.1082% (0.65 1.0 1.00 0.02 0.02) = 0.108% HG2 ARG+ 22 - HB3 SER 49 1.515% * 0.0845% (0.51 1.0 1.00 0.02 0.02) = 0.085% HG2 ARG+ 22 - HA LYS+ 110 1.515% * 0.0826% (0.49 1.0 1.00 0.02 0.02) = 0.083% HG LEU 23 - HB3 SER 49 1.515% * 0.0787% (0.47 1.0 1.00 0.02 0.10) = 0.079% HG LEU 23 - HA LYS+ 110 1.515% * 0.0769% (0.46 1.0 1.00 0.02 0.02) = 0.077% HB VAL 122 - HB3 SER 49 1.515% * 0.0684% (0.41 1.0 1.00 0.02 0.02) = 0.068% HG LEU 43 - HB3 SER 49 1.515% * 0.0684% (0.41 1.0 1.00 0.02 0.02) = 0.068% HB VAL 122 - HA LYS+ 110 1.515% * 0.0669% (0.40 1.0 1.00 0.02 0.02) = 0.067% HB ILE 68 - HA LYS+ 110 1.515% * 0.0669% (0.40 1.0 1.00 0.02 0.02) = 0.067% HG3 LYS+ 78 - HA VAL 105 1.515% * 0.0668% (0.40 1.0 1.00 0.02 0.02) = 0.067% HG2 ARG+ 22 - HA VAL 65 1.515% * 0.0568% (0.34 1.0 1.00 0.02 0.02) = 0.057% HG3 ARG+ 84 - HA VAL 105 1.515% * 0.0559% (0.33 1.0 1.00 0.02 0.02) = 0.056% HG2 ARG+ 22 - HA VAL 87 1.515% * 0.0543% (0.32 1.0 1.00 0.02 0.02) = 0.054% HG LEU 23 - HA VAL 65 1.515% * 0.0529% (0.32 1.0 1.00 0.02 0.02) = 0.053% HG LEU 23 - HA VAL 87 1.515% * 0.0506% (0.30 1.0 1.00 0.02 0.45) = 0.051% HG12 ILE 101 - HA VAL 87 1.515% * 0.0463% (0.28 1.0 1.00 0.02 0.02) = 0.046% HG LEU 43 - HA VAL 65 1.515% * 0.0460% (0.28 1.0 1.00 0.02 0.02) = 0.046% HB VAL 122 - HA VAL 65 1.515% * 0.0460% (0.28 1.0 1.00 0.02 0.02) = 0.046% HG LEU 43 - HA VAL 87 1.515% * 0.0440% (0.26 1.0 1.00 0.02 0.02) = 0.044% HB VAL 122 - HA VAL 87 1.515% * 0.0440% (0.26 1.0 1.00 0.02 0.02) = 0.044% HB ILE 68 - HA VAL 87 1.515% * 0.0440% (0.26 1.0 1.00 0.02 0.02) = 0.044% HG3 LYS+ 78 - HB3 SER 49 1.515% * 0.0422% (0.25 1.0 1.00 0.02 0.02) = 0.042% HG3 LYS+ 78 - HA LYS+ 110 1.515% * 0.0413% (0.25 1.0 1.00 0.02 0.02) = 0.041% HG3 ARG+ 84 - HA LYS+ 110 1.515% * 0.0346% (0.21 1.0 1.00 0.02 0.02) = 0.035% HB3 LYS+ 66 - HA VAL 105 1.515% * 0.0332% (0.20 1.0 1.00 0.02 0.02) = 0.033% HB ILE 100 - HA VAL 105 1.515% * 0.0295% (0.18 1.0 1.00 0.02 0.02) = 0.029% HG3 LYS+ 78 - HA VAL 65 1.515% * 0.0284% (0.17 1.0 1.00 0.02 0.02) = 0.028% HG2 ARG+ 22 - HA VAL 73 1.515% * 0.0276% (0.17 1.0 1.00 0.02 0.02) = 0.028% HG3 LYS+ 78 - HA VAL 87 1.515% * 0.0271% (0.16 1.0 1.00 0.02 0.02) = 0.027% HG2 LYS+ 110 - HA VAL 105 1.515% * 0.0261% (0.16 1.0 1.00 0.02 0.02) = 0.026% HG LEU 23 - HA VAL 73 1.515% * 0.0257% (0.15 1.0 1.00 0.02 0.02) = 0.026% HG3 ARG+ 84 - HA VAL 65 1.515% * 0.0238% (0.14 1.0 1.00 0.02 0.02) = 0.024% HG12 ILE 101 - HA VAL 73 1.515% * 0.0235% (0.14 1.0 1.00 0.02 0.02) = 0.024% HG3 ARG+ 84 - HA VAL 87 1.515% * 0.0227% (0.14 1.0 1.00 0.02 0.02) = 0.023% HB VAL 122 - HA VAL 73 1.515% * 0.0224% (0.13 1.0 1.00 0.02 0.02) = 0.022% HG LEU 43 - HA VAL 73 1.515% * 0.0224% (0.13 1.0 1.00 0.02 0.02) = 0.022% HB3 LYS+ 66 - HB3 SER 49 1.515% * 0.0210% (0.13 1.0 1.00 0.02 0.02) = 0.021% HB3 LYS+ 66 - HA LYS+ 110 1.515% * 0.0205% (0.12 1.0 1.00 0.02 0.02) = 0.021% HB ILE 100 - HB3 SER 49 1.515% * 0.0186% (0.11 1.0 1.00 0.02 1.46) = 0.019% HB ILE 100 - HA LYS+ 110 1.515% * 0.0182% (0.11 1.0 1.00 0.02 0.02) = 0.018% HG2 LYS+ 110 - HB3 SER 49 1.515% * 0.0165% (0.10 1.0 1.00 0.02 0.02) = 0.017% HG3 LYS+ 78 - HA VAL 73 1.515% * 0.0138% (0.08 1.0 1.00 0.02 0.02) = 0.014% HB3 LYS+ 66 - HA VAL 87 1.515% * 0.0135% (0.08 1.0 1.00 0.02 0.02) = 0.013% HB ILE 100 - HA VAL 65 1.515% * 0.0125% (0.07 1.0 1.00 0.02 0.02) = 0.013% HB ILE 100 - HA VAL 87 1.515% * 0.0120% (0.07 1.0 1.00 0.02 0.35) = 0.012% HG3 ARG+ 84 - HA VAL 73 1.515% * 0.0116% (0.07 1.0 1.00 0.02 0.02) = 0.012% HG2 LYS+ 110 - HA VAL 65 1.515% * 0.0111% (0.07 1.0 1.00 0.02 0.02) = 0.011% HG2 LYS+ 110 - HA VAL 87 1.515% * 0.0106% (0.06 1.0 1.00 0.02 0.02) = 0.011% HB3 LYS+ 66 - HA VAL 73 1.515% * 0.0069% (0.04 1.0 1.00 0.02 0.02) = 0.007% HB ILE 100 - HA VAL 73 1.515% * 0.0061% (0.04 1.0 1.00 0.02 0.02) = 0.006% HG2 LYS+ 110 - HA VAL 73 1.515% * 0.0054% (0.03 1.0 1.00 0.02 0.02) = 0.005% Peak 409 (0.92, 4.16, 62.64 ppm): 84 chemical-shift based assignments, quality = 0.566, support = 2.23, residual support = 8.19: * O QG2 VAL 105 - HA VAL 105 1.190% * 32.7218% (0.75 10.0 2.47 5.92) = 32.722% kept O QG1 VAL 105 - HA VAL 105 1.190% * 29.6738% (0.68 10.0 2.42 5.92) = 29.674% kept O HG3 LYS+ 110 - HA LYS+ 110 1.190% * 15.1648% (0.36 10.0 1.93 15.90) = 15.165% kept O QG2 VAL 87 - HA VAL 87 1.190% * 5.0062% (0.12 10.0 3.15 20.87) = 5.006% kept O QG2 VAL 73 - HA VAL 73 1.190% * 3.7205% (0.09 10.0 2.95 24.82) = 3.721% kept HG12 ILE 68 - HA VAL 105 1.190% * 2.5158% (0.92 1.0 1.26 0.60) = 2.516% kept HG12 ILE 68 - HB3 SER 49 1.190% * 2.2710% (0.59 1.0 1.77 1.95) = 2.271% kept HG12 ILE 68 - HA VAL 65 1.190% * 2.1104% (0.55 1.0 1.76 1.17) = 2.110% kept HG12 ILE 68 - HA VAL 73 1.190% * 1.5295% (0.30 1.0 2.33 1.95) = 1.530% kept QD1 LEU 67 - HA VAL 105 1.190% * 0.7522% (0.39 1.0 0.90 0.02) = 0.752% HG3 LYS+ 117 - HA VAL 73 1.190% * 0.5355% (0.15 1.0 1.64 0.13) = 0.535% QD1 LEU 67 - HA VAL 73 1.190% * 0.5340% (0.13 1.0 1.94 0.02) = 0.534% QD1 LEU 67 - HA VAL 65 1.190% * 0.5287% (0.23 1.0 1.05 0.72) = 0.529% QG2 VAL 105 - HB3 SER 49 1.190% * 0.4823% (0.48 1.0 0.46 0.02) = 0.482% QG1 VAL 105 - HB3 SER 49 1.190% * 0.4200% (0.44 1.0 0.44 0.02) = 0.420% QD1 LEU 67 - HB3 SER 49 1.190% * 0.2843% (0.25 1.0 0.53 0.02) = 0.284% QG1 VAL 47 - HB3 SER 49 1.190% * 0.2810% (0.21 1.0 0.63 0.02) = 0.281% QG2 ILE 29 - HB3 SER 49 1.190% * 0.1689% (0.15 1.0 0.52 0.02) = 0.169% HG3 LYS+ 117 - HB3 SER 49 1.190% * 0.1665% (0.29 1.0 0.26 0.55) = 0.166% QG1 VAL 47 - HA VAL 73 1.190% * 0.1206% (0.11 1.0 0.53 0.02) = 0.121% QG2 VAL 62 - HA VAL 73 1.190% * 0.1107% (0.12 1.0 0.44 0.02) = 0.111% QG2 VAL 80 - HA VAL 73 1.190% * 0.0583% (0.31 1.0 0.09 0.57) = 0.058% QG2 VAL 73 - HB3 SER 49 1.190% * 0.0477% (0.17 1.0 0.13 0.02) = 0.048% HG3 LYS+ 110 - HA VAL 105 1.190% * 0.0408% (0.94 1.0 0.02 0.02) = 0.041% QG2 VAL 80 - HA VAL 105 1.190% * 0.0405% (0.93 1.0 0.02 0.02) = 0.041% QG2 VAL 105 - HA VAL 73 1.190% * 0.0404% (0.25 1.0 0.08 0.02) = 0.040% QD1 LEU 17 - HA VAL 105 1.190% * 0.0312% (0.72 1.0 0.02 0.02) = 0.031% HG3 LYS+ 110 - HB3 SER 49 1.190% * 0.0261% (0.60 1.0 0.02 0.02) = 0.026% QG2 VAL 80 - HB3 SER 49 1.190% * 0.0259% (0.60 1.0 0.02 0.02) = 0.026% HG3 LYS+ 110 - HA VAL 65 1.190% * 0.0245% (0.56 1.0 0.02 0.02) = 0.024% QG2 VAL 80 - HA VAL 65 1.190% * 0.0243% (0.56 1.0 0.02 0.02) = 0.024% QD1 LEU 17 - HB3 SER 49 1.190% * 0.0200% (0.46 1.0 0.02 0.02) = 0.020% HG3 LYS+ 117 - HA VAL 105 1.190% * 0.0199% (0.46 1.0 0.02 0.02) = 0.020% QG2 VAL 105 - HA VAL 65 1.190% * 0.0196% (0.45 1.0 0.02 0.02) = 0.020% QD1 LEU 17 - HA VAL 65 1.190% * 0.0187% (0.43 1.0 0.02 0.02) = 0.019% HG3 LYS+ 110 - HA VAL 87 1.190% * 0.0180% (0.41 1.0 0.02 0.02) = 0.018% QG2 VAL 80 - HA VAL 87 1.190% * 0.0178% (0.41 1.0 0.02 0.02) = 0.018% QG1 VAL 105 - HA VAL 65 1.190% * 0.0178% (0.41 1.0 0.02 0.02) = 0.018% HG12 ILE 68 - HA VAL 87 1.190% * 0.0176% (0.41 1.0 0.02 0.02) = 0.018% QG2 VAL 80 - HA LYS+ 110 1.190% * 0.0156% (0.36 1.0 0.02 0.02) = 0.016% HG12 ILE 68 - HA LYS+ 110 1.190% * 0.0154% (0.35 1.0 0.02 0.02) = 0.015% QG2 VAL 62 - HA VAL 105 1.190% * 0.0153% (0.35 1.0 0.02 0.02) = 0.015% QG2 VAL 105 - HA VAL 87 1.190% * 0.0144% (0.33 1.0 0.02 0.02) = 0.014% QG1 VAL 47 - HA VAL 105 1.190% * 0.0139% (0.32 1.0 0.02 0.02) = 0.014% QD1 LEU 17 - HA VAL 87 1.190% * 0.0138% (0.32 1.0 0.02 0.02) = 0.014% HG3 LYS+ 110 - HA VAL 73 1.190% * 0.0134% (0.31 1.0 0.02 0.02) = 0.013% QG1 VAL 105 - HA VAL 87 1.190% * 0.0131% (0.30 1.0 0.02 0.02) = 0.013% QG2 VAL 105 - HA LYS+ 110 1.190% * 0.0126% (0.29 1.0 0.02 0.02) = 0.013% QD1 LEU 17 - HA LYS+ 110 1.190% * 0.0120% (0.28 1.0 0.02 0.02) = 0.012% HG3 LYS+ 117 - HA VAL 65 1.190% * 0.0119% (0.27 1.0 0.02 0.02) = 0.012% QG1 VAL 105 - HA LYS+ 110 1.190% * 0.0114% (0.26 1.0 0.02 0.02) = 0.011% QG2 VAL 73 - HA VAL 105 1.190% * 0.0114% (0.26 1.0 0.02 0.02) = 0.011% QG2 VAL 40 - HA VAL 105 1.190% * 0.0114% (0.26 1.0 0.02 0.02) = 0.011% QG2 VAL 87 - HA VAL 105 1.190% * 0.0114% (0.26 1.0 0.02 0.02) = 0.011% QD1 LEU 17 - HA VAL 73 1.190% * 0.0102% (0.24 1.0 0.02 0.02) = 0.010% QG2 ILE 29 - HA VAL 105 1.190% * 0.0102% (0.23 1.0 0.02 0.38) = 0.010% QG2 VAL 62 - HB3 SER 49 1.190% * 0.0098% (0.23 1.0 0.02 0.02) = 0.010% QG1 VAL 105 - HA VAL 73 1.190% * 0.0097% (0.22 1.0 0.02 0.02) = 0.010% QG2 VAL 62 - HA VAL 65 1.190% * 0.0092% (0.21 1.0 0.02 0.02) = 0.009% HG3 LYS+ 117 - HA VAL 87 1.190% * 0.0088% (0.20 1.0 0.02 0.02) = 0.009% QG1 VAL 47 - HA VAL 65 1.190% * 0.0084% (0.19 1.0 0.02 0.02) = 0.008% HG3 LYS+ 117 - HA LYS+ 110 1.190% * 0.0077% (0.18 1.0 0.02 0.02) = 0.008% QD1 LEU 67 - HA VAL 87 1.190% * 0.0074% (0.17 1.0 0.02 0.02) = 0.007% QG2 VAL 40 - HB3 SER 49 1.190% * 0.0073% (0.17 1.0 0.02 0.02) = 0.007% QG2 VAL 87 - HB3 SER 49 1.190% * 0.0073% (0.17 1.0 0.02 0.02) = 0.007% QG2 VAL 73 - HA VAL 65 1.190% * 0.0068% (0.16 1.0 0.02 0.02) = 0.007% QG2 VAL 40 - HA VAL 65 1.190% * 0.0068% (0.16 1.0 0.02 0.02) = 0.007% QG2 VAL 87 - HA VAL 65 1.190% * 0.0068% (0.16 1.0 0.02 0.02) = 0.007% QG2 VAL 62 - HA VAL 87 1.190% * 0.0068% (0.16 1.0 0.02 0.02) = 0.007% QD1 LEU 67 - HA LYS+ 110 1.190% * 0.0065% (0.15 1.0 0.02 0.02) = 0.006% QG1 VAL 47 - HA VAL 87 1.190% * 0.0061% (0.14 1.0 0.02 0.02) = 0.006% QG2 ILE 29 - HA VAL 65 1.190% * 0.0061% (0.14 1.0 0.02 0.02) = 0.006% QG2 VAL 62 - HA LYS+ 110 1.190% * 0.0059% (0.14 1.0 0.02 0.02) = 0.006% QG1 VAL 47 - HA LYS+ 110 1.190% * 0.0054% (0.12 1.0 0.02 0.02) = 0.005% QG2 VAL 73 - HA VAL 87 1.190% * 0.0050% (0.12 1.0 0.02 0.02) = 0.005% QG2 VAL 40 - HA VAL 87 1.190% * 0.0050% (0.12 1.0 0.02 0.02) = 0.005% QG2 ILE 29 - HA VAL 87 1.190% * 0.0045% (0.10 1.0 0.02 0.02) = 0.004% QG2 VAL 73 - HA LYS+ 110 1.190% * 0.0044% (0.10 1.0 0.02 0.02) = 0.004% QG2 VAL 40 - HA LYS+ 110 1.190% * 0.0044% (0.10 1.0 0.02 0.02) = 0.004% QG2 VAL 87 - HA LYS+ 110 1.190% * 0.0044% (0.10 1.0 0.02 0.02) = 0.004% QG2 ILE 29 - HA LYS+ 110 1.190% * 0.0039% (0.09 1.0 0.02 0.02) = 0.004% QG2 VAL 40 - HA VAL 73 1.190% * 0.0037% (0.09 1.0 0.02 0.02) = 0.004% QG2 VAL 87 - HA VAL 73 1.190% * 0.0037% (0.09 1.0 0.02 0.02) = 0.004% QG2 ILE 29 - HA VAL 73 1.190% * 0.0033% (0.08 1.0 0.02 0.02) = 0.003% Peak 412 (0.92, 3.26, 62.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 413 (0.92, 3.19, 62.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 419 (0.92, 0.92, 21.24 ppm): 4 diagonal assignments: * HG3 LYS+ 110 - HG3 LYS+ 110 (0.87) kept QG2 VAL 105 - QG2 VAL 105 (0.35) kept QG2 VAL 80 - QG2 VAL 80 (0.24) kept QG2 VAL 87 - QG2 VAL 87 (0.11) kept Peak 424 (0.85, 4.01, 62.59 ppm): 7 chemical-shift based assignments, quality = 0.649, support = 1.92, residual support = 10.2: * O T QG2 VAL 13 - HA VAL 13 14.286% * 66.3019% (0.78 10.0 10.00 1.93 10.25) = 66.302% kept O QG1 VAL 13 - HA VAL 13 14.286% * 32.9736% (0.40 10.0 1.00 1.93 10.25) = 32.974% kept T QD1 LEU 90 - HA VAL 13 14.286% * 0.4251% (0.50 1.0 10.00 0.02 0.02) = 0.425% T QG1 VAL 94 - HA VAL 13 14.286% * 0.1748% (0.21 1.0 10.00 0.02 0.02) = 0.175% HG2 LYS+ 117 - HA VAL 13 14.286% * 0.0509% (0.60 1.0 1.00 0.02 0.02) = 0.051% QG2 ILE 100 - HA VAL 13 14.286% * 0.0397% (0.47 1.0 1.00 0.02 0.14) = 0.040% QD1 ILE 29 - HA VAL 13 14.286% * 0.0341% (0.40 1.0 1.00 0.02 0.02) = 0.034% Peak 425 (0.73, 4.19, 62.90 ppm): 50 chemical-shift based assignments, quality = 0.554, support = 3.5, residual support = 19.2: O QG2 VAL 65 - HA VAL 65 2.000% * 41.9484% (0.53 10.0 4.60 29.62) = 41.948% kept HG LEU 74 - HA VAL 73 2.000% * 13.2224% (0.76 1.0 4.36 10.05) = 13.222% kept QG2 ILE 48 - HB3 SER 49 2.000% * 7.8822% (0.56 1.0 3.53 28.94) = 7.882% kept O QG1 VAL 65 - HA VAL 65 2.000% * 7.6124% (0.10 10.0 4.05 29.62) = 7.612% kept * QD1 ILE 68 - HA VAL 73 2.000% * 5.4310% (0.94 1.0 1.45 1.95) = 5.431% kept QD1 ILE 68 - HB3 SER 49 2.000% * 4.1580% (0.81 1.0 1.29 1.95) = 4.158% kept HG3 LYS+ 66 - HA VAL 65 2.000% * 3.8159% (0.42 1.0 2.30 12.79) = 3.816% kept QG1 VAL 40 - HA VAL 73 2.000% * 3.5905% (0.95 1.0 0.95 0.02) = 3.591% kept QG2 ILE 101 - HB3 SER 49 2.000% * 2.8453% (0.47 1.0 1.54 2.59) = 2.845% kept QG2 ILE 101 - HA VAL 65 2.000% * 2.8402% (0.31 1.0 2.29 5.60) = 2.840% kept QD1 ILE 68 - HA VAL 65 2.000% * 2.4340% (0.54 1.0 1.13 1.17) = 2.434% kept QG2 ILE 101 - HA VAL 73 2.000% * 1.0391% (0.54 1.0 0.48 0.02) = 1.039% kept HG3 LYS+ 44 - HA VAL 65 2.000% * 1.0357% (0.42 1.0 0.62 0.02) = 1.036% kept HG LEU 74 - HB3 SER 49 2.000% * 0.7115% (0.65 1.0 0.27 0.71) = 0.711% QG2 VAL 65 - HB3 SER 49 2.000% * 0.4130% (0.79 1.0 0.13 0.10) = 0.413% QG2 ILE 48 - HA VAL 65 2.000% * 0.2153% (0.38 1.0 0.14 1.27) = 0.215% QG2 VAL 65 - HA VAL 73 2.000% * 0.0731% (0.92 1.0 0.02 0.02) = 0.073% QG1 VAL 40 - HB3 SER 49 2.000% * 0.0647% (0.81 1.0 0.02 0.02) = 0.065% HG3 LYS+ 66 - HA VAL 73 2.000% * 0.0579% (0.73 1.0 0.02 0.02) = 0.058% HG3 LYS+ 44 - HA VAL 73 2.000% * 0.0579% (0.73 1.0 0.02 0.02) = 0.058% QG2 ILE 48 - HA VAL 73 2.000% * 0.0521% (0.66 1.0 0.02 0.02) = 0.052% HG3 LYS+ 66 - HB3 SER 49 2.000% * 0.0496% (0.62 1.0 0.02 0.02) = 0.050% HG3 LYS+ 44 - HB3 SER 49 2.000% * 0.0496% (0.62 1.0 0.02 0.02) = 0.050% QG1 VAL 40 - HA VAL 65 2.000% * 0.0434% (0.55 1.0 0.02 0.02) = 0.043% HG LEU 74 - HA VAL 65 2.000% * 0.0348% (0.44 1.0 0.02 0.02) = 0.035% QG2 THR 96 - HA VAL 73 2.000% * 0.0234% (0.29 1.0 0.02 0.02) = 0.023% QG1 VAL 40 - HA VAL 87 2.000% * 0.0220% (0.28 1.0 0.02 0.02) = 0.022% QD1 ILE 68 - HA VAL 87 2.000% * 0.0219% (0.28 1.0 0.02 0.02) = 0.022% QG2 VAL 65 - HA VAL 87 2.000% * 0.0213% (0.27 1.0 0.02 0.02) = 0.021% QG2 THR 96 - HB3 SER 49 2.000% * 0.0200% (0.25 1.0 0.02 0.02) = 0.020% HG LEU 74 - HA VAL 87 2.000% * 0.0177% (0.22 1.0 0.02 0.02) = 0.018% HG3 LYS+ 44 - HA VAL 87 2.000% * 0.0169% (0.21 1.0 0.02 0.02) = 0.017% HG3 LYS+ 66 - HA VAL 87 2.000% * 0.0169% (0.21 1.0 0.02 0.02) = 0.017% QG2 ILE 48 - HA VAL 87 2.000% * 0.0152% (0.19 1.0 0.02 0.02) = 0.015% QG2 THR 96 - HA VAL 65 2.000% * 0.0134% (0.17 1.0 0.02 0.02) = 0.013% QG1 VAL 65 - HA VAL 73 2.000% * 0.0133% (0.17 1.0 0.02 0.02) = 0.013% QG2 ILE 101 - HA VAL 87 2.000% * 0.0126% (0.16 1.0 0.02 0.02) = 0.013% QG1 VAL 40 - HA VAL 105 2.000% * 0.0121% (0.15 1.0 0.02 0.02) = 0.012% QD1 ILE 68 - HA VAL 105 2.000% * 0.0121% (0.15 1.0 0.02 0.60) = 0.012% QG2 VAL 65 - HA VAL 105 2.000% * 0.0117% (0.15 1.0 0.02 0.02) = 0.012% QG1 VAL 65 - HB3 SER 49 2.000% * 0.0114% (0.14 1.0 0.02 0.10) = 0.011% HG LEU 74 - HA VAL 105 2.000% * 0.0097% (0.12 1.0 0.02 0.02) = 0.010% HG3 LYS+ 44 - HA VAL 105 2.000% * 0.0093% (0.12 1.0 0.02 0.11) = 0.009% HG3 LYS+ 66 - HA VAL 105 2.000% * 0.0093% (0.12 1.0 0.02 0.02) = 0.009% QG2 ILE 48 - HA VAL 105 2.000% * 0.0084% (0.11 1.0 0.02 0.02) = 0.008% QG2 ILE 101 - HA VAL 105 2.000% * 0.0069% (0.09 1.0 0.02 0.02) = 0.007% QG2 THR 96 - HA VAL 87 2.000% * 0.0068% (0.09 1.0 0.02 0.02) = 0.007% QG1 VAL 65 - HA VAL 87 2.000% * 0.0039% (0.05 1.0 0.02 0.02) = 0.004% QG2 THR 96 - HA VAL 105 2.000% * 0.0038% (0.05 1.0 0.02 0.02) = 0.004% QG1 VAL 65 - HA VAL 105 2.000% * 0.0021% (0.03 1.0 0.02 0.02) = 0.002% Peak 427 (0.55, 4.19, 62.60 ppm): 5 chemical-shift based assignments, quality = 0.43, support = 2.4, residual support = 3.4: T QD1 ILE 101 - HB3 SER 49 20.000% * 72.7904% (0.35 10.00 1.90 2.59) = 72.790% kept QD1 ILE 101 - HA VAL 65 20.000% * 27.0661% (0.66 1.00 3.73 5.60) = 27.066% kept QD1 ILE 101 - HA VAL 105 20.000% * 0.0769% (0.35 1.00 0.02 0.02) = 0.077% QD1 ILE 101 - HA VAL 73 20.000% * 0.0548% (0.25 1.00 0.02 0.02) = 0.055% QD1 ILE 101 - HA VAL 87 20.000% * 0.0118% (0.05 1.00 0.02 0.02) = 0.012% Peak 439 (8.23, 0.92, 20.86 ppm): 22 chemical-shift based assignments, quality = 0.239, support = 0.444, residual support = 0.226: HN SER 49 - HG3 LYS+ 110 4.545% * 26.5086% (0.37 0.37 0.02) = 26.509% kept HN LYS+ 81 - HG3 LYS+ 110 4.545% * 25.4048% (0.33 0.40 0.02) = 25.405% kept HN GLU- 45 - HG3 LYS+ 110 4.545% * 16.4884% (0.14 0.62 0.11) = 16.488% kept HN GLU- 45 - QG2 VAL 87 4.545% * 12.1943% (0.06 1.04 1.57) = 12.194% kept HN VAL 94 - HG3 LYS+ 110 4.545% * 4.6076% (0.24 0.10 0.10) = 4.608% kept HN ALA 11 - QG2 VAL 87 4.545% * 3.4330% (0.07 0.24 0.02) = 3.433% kept HN ASP- 115 - HG3 LYS+ 110 4.545% * 1.5628% (0.10 0.08 0.02) = 1.563% kept HN GLY 58 - HG3 LYS+ 110 4.545% * 1.3710% (0.36 0.02 0.02) = 1.371% kept HN LEU 67 - HG3 LYS+ 110 4.545% * 1.2740% (0.33 0.02 0.02) = 1.274% kept HN GLU- 12 - HG3 LYS+ 110 4.545% * 1.1375% (0.29 0.02 0.02) = 1.138% kept HN VAL 105 - HG3 LYS+ 110 4.545% * 0.8616% (0.22 0.02 0.02) = 0.862% HN ALA 11 - HG3 LYS+ 110 4.545% * 0.6369% (0.17 0.02 0.02) = 0.637% HN SER 49 - QG2 VAL 87 4.545% * 0.6273% (0.16 0.02 0.02) = 0.627% HN GLY 58 - QG2 VAL 87 4.545% * 0.6054% (0.16 0.02 0.02) = 0.605% HN LEU 67 - QG2 VAL 87 4.545% * 0.5626% (0.15 0.02 0.02) = 0.563% HN LYS+ 81 - QG2 VAL 87 4.545% * 0.5626% (0.15 0.02 0.02) = 0.563% HN GLU- 12 - QG2 VAL 87 4.545% * 0.5023% (0.13 0.02 0.02) = 0.502% HN THR 106 - HG3 LYS+ 110 4.545% * 0.4846% (0.13 0.02 0.02) = 0.485% HN VAL 94 - QG2 VAL 87 4.545% * 0.4058% (0.11 0.02 0.02) = 0.406% HN VAL 105 - QG2 VAL 87 4.545% * 0.3805% (0.10 0.02 0.02) = 0.380% HN THR 106 - QG2 VAL 87 4.545% * 0.2140% (0.06 0.02 0.02) = 0.214% HN ASP- 115 - QG2 VAL 87 4.545% * 0.1744% (0.05 0.02 0.02) = 0.174% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 440 (4.80, 0.91, 20.89 ppm): 8 chemical-shift based assignments, quality = 0.204, support = 0.644, residual support = 0.705: HA ASN 15 - QG2 VAL 87 12.500% * 40.2521% (0.18 1.03 1.41) = 40.252% kept HA LEU 23 - QG2 VAL 87 12.500% * 29.3933% (0.28 0.47 0.45) = 29.393% kept HA GLU- 18 - HG3 LYS+ 110 12.500% * 15.4901% (0.19 0.36 0.02) = 15.490% kept HA GLU- 18 - QG2 VAL 87 12.500% * 10.8867% (0.15 0.32 0.02) = 10.887% kept HA LEU 23 - HG3 LYS+ 110 12.500% * 1.5751% (0.35 0.02 0.02) = 1.575% kept HA ASN 15 - HG3 LYS+ 110 12.500% * 0.9943% (0.22 0.02 0.02) = 0.994% HB THR 39 - HG3 LYS+ 110 12.500% * 0.7874% (0.18 0.02 0.02) = 0.787% HB THR 39 - QG2 VAL 87 12.500% * 0.6211% (0.14 0.02 0.02) = 0.621% Peak 442 (4.13, 0.92, 21.03 ppm): 18 chemical-shift based assignments, quality = 0.678, support = 2.11, residual support = 16.3: * O T HA LYS+ 110 - HG3 LYS+ 110 5.556% * 75.7988% (0.83 10.0 10.00 1.93 15.90) = 75.799% kept O T HA VAL 87 - QG2 VAL 87 5.556% * 18.6815% (0.20 10.0 10.00 3.15 20.87) = 18.681% kept HB2 SER 88 - QG2 VAL 87 5.556% * 3.0887% (0.38 1.0 1.00 1.77 11.74) = 3.089% kept T HB3 SER 49 - HG3 LYS+ 110 5.556% * 0.7435% (0.81 1.0 10.00 0.02 0.02) = 0.744% T HA LYS+ 110 - QG2 VAL 87 5.556% * 0.4158% (0.45 1.0 10.00 0.02 0.02) = 0.416% T HB3 SER 49 - QG2 VAL 87 5.556% * 0.4078% (0.45 1.0 10.00 0.02 0.02) = 0.408% T HA VAL 87 - HG3 LYS+ 110 5.556% * 0.3406% (0.37 1.0 10.00 0.02 0.02) = 0.341% T HA VAL 105 - HG3 LYS+ 110 5.556% * 0.1172% (0.13 1.0 10.00 0.02 0.02) = 0.117% HA2 GLY 71 - HG3 LYS+ 110 5.556% * 0.0745% (0.81 1.0 1.00 0.02 0.02) = 0.074% HA ARG+ 53 - HG3 LYS+ 110 5.556% * 0.0701% (0.77 1.0 1.00 0.02 0.02) = 0.070% T HA VAL 105 - QG2 VAL 87 5.556% * 0.0643% (0.07 1.0 10.00 0.02 0.02) = 0.064% HB2 SER 88 - HG3 LYS+ 110 5.556% * 0.0635% (0.69 1.0 1.00 0.02 0.02) = 0.063% HA2 GLY 71 - QG2 VAL 87 5.556% * 0.0408% (0.45 1.0 1.00 0.02 0.02) = 0.041% HA ARG+ 53 - QG2 VAL 87 5.556% * 0.0385% (0.42 1.0 1.00 0.02 0.02) = 0.038% HA THR 46 - HG3 LYS+ 110 5.556% * 0.0234% (0.26 1.0 1.00 0.02 0.02) = 0.023% HA THR 46 - QG2 VAL 87 5.556% * 0.0129% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB THR 106 - HG3 LYS+ 110 5.556% * 0.0117% (0.13 1.0 1.00 0.02 0.02) = 0.012% HB THR 106 - QG2 VAL 87 5.556% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% Peak 445 (4.02, 0.83, 20.87 ppm): 5 chemical-shift based assignments, quality = 0.731, support = 1.93, residual support = 10.2: * O T HA VAL 13 - QG2 VAL 13 20.000% * 99.8371% (0.73 10.0 10.00 1.93 10.25) = 99.837% kept HA THR 38 - QG2 VAL 13 20.000% * 0.0669% (0.49 1.0 1.00 0.02 0.02) = 0.067% HB THR 95 - QG2 VAL 13 20.000% * 0.0464% (0.34 1.0 1.00 0.02 0.02) = 0.046% HB3 SER 85 - QG2 VAL 13 20.000% * 0.0319% (0.23 1.0 1.00 0.02 0.02) = 0.032% HB3 SER 49 - QG2 VAL 13 20.000% * 0.0176% (0.13 1.0 1.00 0.02 0.02) = 0.018% Peak 518 (8.47, 4.31, 61.93 ppm): 18 chemical-shift based assignments, quality = 0.464, support = 2.24, residual support = 6.48: * O HN GLU- 107 - HA THR 106 5.556% * 96.2063% (0.47 10.0 2.31 6.73) = 96.206% kept HN LEU 74 - HA THR 106 5.556% * 2.6211% (0.27 1.0 0.95 0.02) = 2.621% kept HN GLU- 18 - HA THR 106 5.556% * 0.5387% (0.27 1.0 0.20 0.02) = 0.539% HN GLY 92 - HA THR 106 5.556% * 0.0937% (0.46 1.0 0.02 0.02) = 0.094% HN GLU- 107 - HA ILE 29 5.556% * 0.0879% (0.43 1.0 0.02 0.02) = 0.088% HN GLY 92 - HA ILE 29 5.556% * 0.0856% (0.42 1.0 0.02 0.02) = 0.086% HN LYS+ 113 - HA THR 106 5.556% * 0.0667% (0.33 1.0 0.02 0.02) = 0.067% HN LYS+ 113 - HA ILE 29 5.556% * 0.0609% (0.30 1.0 0.02 0.02) = 0.061% HN GLU- 18 - HA ILE 29 5.556% * 0.0502% (0.25 1.0 0.02 0.02) = 0.050% HN LEU 74 - HA ILE 29 5.556% * 0.0502% (0.25 1.0 0.02 0.02) = 0.050% HN GLU- 10 - HA THR 106 5.556% * 0.0364% (0.18 1.0 0.02 0.02) = 0.036% HN GLU- 10 - HA ILE 29 5.556% * 0.0333% (0.16 1.0 0.02 0.02) = 0.033% HN GLU- 107 - HA VAL 94 5.556% * 0.0165% (0.08 1.0 0.02 0.02) = 0.016% HN GLY 92 - HA VAL 94 5.556% * 0.0160% (0.08 1.0 0.02 0.02) = 0.016% HN LYS+ 113 - HA VAL 94 5.556% * 0.0114% (0.06 1.0 0.02 0.02) = 0.011% HN GLU- 18 - HA VAL 94 5.556% * 0.0094% (0.05 1.0 0.02 3.64) = 0.009% HN LEU 74 - HA VAL 94 5.556% * 0.0094% (0.05 1.0 0.02 0.02) = 0.009% HN GLU- 10 - HA VAL 94 5.556% * 0.0062% (0.03 1.0 0.02 0.02) = 0.006% Peak 519 (8.25, 4.31, 61.89 ppm): 16 chemical-shift based assignments, quality = 0.413, support = 2.85, residual support = 18.1: * O HN THR 106 - HA THR 106 6.250% * 97.6641% (0.42 10.0 2.91 18.53) = 97.664% kept HN LEU 67 - HA THR 106 6.250% * 1.2758% (0.29 1.0 0.38 0.02) = 1.276% kept HN THR 106 - HA ILE 29 6.250% * 0.1291% (0.55 1.0 0.02 0.02) = 0.129% HN ASP- 115 - HA ILE 29 6.250% * 0.1257% (0.54 1.0 0.02 0.02) = 0.126% HN GLU- 12 - HA ILE 29 6.250% * 0.1043% (0.45 1.0 0.02 0.02) = 0.104% HN ASP- 115 - HA THR 106 6.250% * 0.0951% (0.41 1.0 0.02 0.02) = 0.095% HN LYS+ 81 - HA ILE 29 6.250% * 0.0894% (0.38 1.0 0.02 0.02) = 0.089% HN LEU 67 - HA ILE 29 6.250% * 0.0894% (0.38 1.0 0.02 0.02) = 0.089% HN GLU- 12 - HA THR 106 6.250% * 0.0789% (0.34 1.0 0.02 0.02) = 0.079% HN GLY 58 - HA ILE 29 6.250% * 0.0737% (0.32 1.0 0.02 0.02) = 0.074% HN LYS+ 81 - HA THR 106 6.250% * 0.0677% (0.29 1.0 0.02 2.05) = 0.068% HN GLY 58 - HA THR 106 6.250% * 0.0558% (0.24 1.0 0.02 0.02) = 0.056% HN SER 49 - HA ILE 29 6.250% * 0.0535% (0.23 1.0 0.02 0.02) = 0.054% HN SER 49 - HA THR 106 6.250% * 0.0405% (0.17 1.0 0.02 0.45) = 0.041% HN ASN 89 - HA ILE 29 6.250% * 0.0325% (0.14 1.0 0.02 0.02) = 0.032% HN ASN 89 - HA THR 106 6.250% * 0.0246% (0.11 1.0 0.02 0.02) = 0.025% Peak 520 (8.07, 0.84, 20.68 ppm): 6 chemical-shift based assignments, quality = 0.278, support = 1.16, residual support = 1.82: HN LYS+ 110 - QG2 VAL 13 16.667% * 37.8901% (0.29 1.80 4.14) = 37.890% kept HN GLU- 75 - QG2 VAL 13 16.667% * 17.0607% (0.31 0.76 0.56) = 17.061% kept HN CYS 121 - QG2 VAL 13 16.667% * 15.4336% (0.29 0.73 0.14) = 15.434% kept * HN ASN 15 - QG2 VAL 13 16.667% * 14.2670% (0.21 0.97 0.52) = 14.267% kept HN MET 118 - QG2 VAL 13 16.667% * 13.6626% (0.27 0.70 0.44) = 13.663% kept HN VAL 122 - QG2 VAL 13 16.667% * 1.6860% (0.09 0.25 0.02) = 1.686% kept Peak 521 (7.81, 0.91, 20.50 ppm): 5 chemical-shift based assignments, quality = 0.102, support = 0.0687, residual support = 0.02: HN VAL 87 - QG2 VAL 125 20.000% * 52.6171% (0.08 0.11 0.02) = 52.617% kept HN ALA 93 - QG2 VAL 125 20.000% * 17.4074% (0.15 0.02 0.02) = 17.407% kept HN LYS+ 55 - QG2 VAL 125 20.000% * 16.3936% (0.14 0.02 0.02) = 16.394% kept HN THR 46 - QG2 VAL 125 20.000% * 8.6442% (0.08 0.02 0.02) = 8.644% kept HN LYS+ 63 - QG2 VAL 125 20.000% * 4.9377% (0.04 0.02 0.02) = 4.938% kept Reference assignment not found: HN VAL 87 - QG2 VAL 87 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 525 (4.32, 4.31, 61.98 ppm): 2 diagonal assignments: * HA ILE 29 - HA ILE 29 (0.29) kept HA THR 106 - HA THR 106 (0.10) kept Peak 526 (4.20, 4.31, 61.92 ppm): 18 chemical-shift based assignments, quality = 0.365, support = 0.563, residual support = 0.387: T HB3 SER 49 - HA THR 106 5.556% * 84.4183% (0.40 10.00 0.64 0.45) = 84.418% kept T HB3 SER 49 - HA VAL 94 5.556% * 4.3207% (0.08 10.00 0.16 0.02) = 4.321% kept HA VAL 73 - HA THR 106 5.556% * 2.8002% (0.26 1.00 0.34 0.11) = 2.800% kept T HA GLU- 12 - HA VAL 94 5.556% * 2.6906% (0.04 10.00 0.20 0.02) = 2.691% kept T HB3 SER 49 - HA ILE 29 5.556% * 2.4852% (0.38 10.00 0.02 0.02) = 2.485% kept T HA GLU- 12 - HA THR 106 5.556% * 1.2886% (0.20 10.00 0.02 0.02) = 1.289% kept HA ASP- 82 - HA VAL 94 5.556% * 0.3912% (0.09 1.00 0.13 0.02) = 0.391% HA ASP- 82 - HA THR 106 5.556% * 0.2868% (0.44 1.00 0.02 0.69) = 0.287% HA ASP- 82 - HA ILE 29 5.556% * 0.2702% (0.41 1.00 0.02 0.02) = 0.270% HA VAL 65 - HA VAL 94 5.556% * 0.2434% (0.06 1.00 0.12 0.02) = 0.243% HA VAL 65 - HA THR 106 5.556% * 0.1944% (0.30 1.00 0.02 0.02) = 0.194% HA VAL 65 - HA ILE 29 5.556% * 0.1831% (0.28 1.00 0.02 0.02) = 0.183% HA VAL 73 - HA ILE 29 5.556% * 0.1574% (0.24 1.00 0.02 0.02) = 0.157% HA GLU- 12 - HA ILE 29 5.556% * 0.1214% (0.19 1.00 0.02 0.02) = 0.121% HA GLU- 109 - HA THR 106 5.556% * 0.0530% (0.08 1.00 0.02 0.02) = 0.053% HA GLU- 109 - HA ILE 29 5.556% * 0.0499% (0.08 1.00 0.02 0.02) = 0.050% HA VAL 73 - HA VAL 94 5.556% * 0.0346% (0.05 1.00 0.02 0.02) = 0.035% HA GLU- 109 - HA VAL 94 5.556% * 0.0110% (0.02 1.00 0.02 0.02) = 0.011% Peak 529 (1.87, 4.27, 61.86 ppm): 36 chemical-shift based assignments, quality = 0.586, support = 3.49, residual support = 48.7: * O HB VAL 94 - HA VAL 94 2.778% * 91.2979% (0.60 10.0 3.74 53.27) = 91.298% kept HD3 PRO 52 - HA VAL 94 2.778% * 4.4854% (0.62 1.0 0.95 0.02) = 4.485% kept HG2 GLU- 18 - HA VAL 94 2.778% * 1.7910% (0.17 1.0 1.36 3.64) = 1.791% kept HB3 LYS+ 60 - HA VAL 94 2.778% * 1.2784% (0.39 1.0 0.43 0.02) = 1.278% kept HB3 ARG+ 84 - HA VAL 94 2.778% * 0.0972% (0.64 1.0 0.02 0.02) = 0.097% HD2 PRO 59 - HA VAL 94 2.778% * 0.0944% (0.62 1.0 0.02 0.02) = 0.094% HG3 LYS+ 120 - HA VAL 94 2.778% * 0.0723% (0.48 1.0 0.02 0.02) = 0.072% HB2 PRO 104 - HA VAL 94 2.778% * 0.0681% (0.45 1.0 0.02 0.02) = 0.068% HB3 LYS+ 72 - HA VAL 94 2.778% * 0.0638% (0.42 1.0 0.02 0.02) = 0.064% HB3 ARG+ 84 - HA THR 106 2.778% * 0.0585% (0.39 1.0 0.02 0.02) = 0.059% HD2 PRO 59 - HA THR 106 2.778% * 0.0568% (0.38 1.0 0.02 0.02) = 0.057% HD3 PRO 52 - HA THR 106 2.778% * 0.0568% (0.38 1.0 0.02 0.02) = 0.057% HB VAL 94 - HA THR 106 2.778% * 0.0550% (0.36 1.0 0.02 0.02) = 0.055% HG3 LYS+ 120 - HA THR 106 2.778% * 0.0435% (0.29 1.0 0.02 0.02) = 0.044% HB2 PRO 104 - HA THR 106 2.778% * 0.0410% (0.27 1.0 0.02 0.02) = 0.041% HB3 LYS+ 72 - HA THR 106 2.778% * 0.0384% (0.25 1.0 0.02 0.24) = 0.038% HB3 LYS+ 60 - HA THR 106 2.778% * 0.0359% (0.24 1.0 0.02 0.02) = 0.036% HB3 ARG+ 84 - HA SER 49 2.778% * 0.0303% (0.20 1.0 0.02 0.02) = 0.030% HD2 PRO 59 - HA SER 49 2.778% * 0.0294% (0.19 1.0 0.02 0.02) = 0.029% HD3 PRO 52 - HA SER 49 2.778% * 0.0294% (0.19 1.0 0.02 0.02) = 0.029% HB VAL 94 - HA SER 49 2.778% * 0.0285% (0.19 1.0 0.02 0.02) = 0.028% HB2 LYS+ 66 - HA VAL 94 2.778% * 0.0262% (0.17 1.0 0.02 0.02) = 0.026% HB3 GLN 16 - HA VAL 94 2.778% * 0.0262% (0.17 1.0 0.02 0.02) = 0.026% HG3 LYS+ 120 - HA SER 49 2.778% * 0.0226% (0.15 1.0 0.02 0.02) = 0.023% HG2 PRO 112 - HA VAL 94 2.778% * 0.0214% (0.14 1.0 0.02 0.02) = 0.021% HB2 PRO 104 - HA SER 49 2.778% * 0.0212% (0.14 1.0 0.02 0.02) = 0.021% HB3 LYS+ 72 - HA SER 49 2.778% * 0.0199% (0.13 1.0 0.02 0.02) = 0.020% HB3 LYS+ 60 - HA SER 49 2.778% * 0.0186% (0.12 1.0 0.02 0.02) = 0.019% HG2 GLU- 18 - HA THR 106 2.778% * 0.0158% (0.10 1.0 0.02 0.02) = 0.016% HB3 GLN 16 - HA THR 106 2.778% * 0.0158% (0.10 1.0 0.02 0.23) = 0.016% HB2 LYS+ 66 - HA THR 106 2.778% * 0.0158% (0.10 1.0 0.02 0.02) = 0.016% HG2 PRO 112 - HA THR 106 2.778% * 0.0129% (0.09 1.0 0.02 0.02) = 0.013% HB3 GLN 16 - HA SER 49 2.778% * 0.0082% (0.05 1.0 0.02 0.13) = 0.008% HG2 GLU- 18 - HA SER 49 2.778% * 0.0082% (0.05 1.0 0.02 0.02) = 0.008% HB2 LYS+ 66 - HA SER 49 2.778% * 0.0082% (0.05 1.0 0.02 0.02) = 0.008% HG2 PRO 112 - HA SER 49 2.778% * 0.0067% (0.04 1.0 0.02 0.02) = 0.007% Peak 531 (1.18, 4.31, 62.00 ppm): 10 chemical-shift based assignments, quality = 0.425, support = 2.39, residual support = 18.3: * O T QG2 THR 106 - HA THR 106 10.000% * 98.9524% (0.43 10.0 10.00 2.42 18.53) = 98.952% kept T QG2 THR 106 - HA ILE 29 10.000% * 0.6020% (0.26 1.0 10.00 0.02 0.02) = 0.602% HB2 LEU 74 - HA THR 106 10.000% * 0.1025% (0.44 1.0 1.00 0.02 0.02) = 0.103% HB2 LEU 43 - HA THR 106 10.000% * 0.0907% (0.39 1.0 1.00 0.02 0.02) = 0.091% HG3 PRO 59 - HA THR 106 10.000% * 0.0677% (0.29 1.0 1.00 0.02 0.02) = 0.068% HB2 LEU 74 - HA ILE 29 10.000% * 0.0624% (0.27 1.0 1.00 0.02 0.02) = 0.062% HB2 LEU 43 - HA ILE 29 10.000% * 0.0552% (0.24 1.0 1.00 0.02 0.02) = 0.055% HG3 PRO 59 - HA ILE 29 10.000% * 0.0412% (0.18 1.0 1.00 0.02 0.02) = 0.041% QB ALA 33 - HA THR 106 10.000% * 0.0161% (0.07 1.0 1.00 0.02 0.02) = 0.016% QB ALA 33 - HA ILE 29 10.000% * 0.0098% (0.04 1.0 1.00 0.02 0.02) = 0.010% Peak 533 (0.94, 4.31, 61.90 ppm): 30 chemical-shift based assignments, quality = 0.453, support = 4.38, residual support = 50.5: * O QG2 ILE 29 - HA ILE 29 3.333% * 80.0736% (0.47 10.0 5.17 61.32) = 80.074% kept QD1 LEU 17 - HA ILE 29 3.333% * 5.4652% (0.47 1.0 1.37 17.08) = 5.465% kept QG1 VAL 105 - HA THR 106 3.333% * 5.3291% (0.43 1.0 1.46 4.01) = 5.329% kept QG2 VAL 105 - HA THR 106 3.333% * 5.2192% (0.40 1.0 1.52 4.01) = 5.219% kept QG2 VAL 105 - HA ILE 29 3.333% * 2.3149% (0.45 1.0 0.60 0.38) = 2.315% kept QG2 VAL 62 - HA ILE 29 3.333% * 0.6684% (0.51 1.0 0.15 0.02) = 0.668% QG1 VAL 105 - HA ILE 29 3.333% * 0.0824% (0.48 1.0 0.02 0.38) = 0.082% QG2 VAL 73 - HA ILE 29 3.333% * 0.0824% (0.48 1.0 0.02 0.02) = 0.082% QG2 VAL 62 - HA THR 106 3.333% * 0.0776% (0.45 1.0 0.02 0.02) = 0.078% QG2 VAL 73 - HA THR 106 3.333% * 0.0731% (0.43 1.0 0.02 0.11) = 0.073% QD1 LEU 17 - HA THR 106 3.333% * 0.0710% (0.41 1.0 0.02 0.02) = 0.071% QG2 ILE 29 - HA THR 106 3.333% * 0.0710% (0.41 1.0 0.02 0.02) = 0.071% HG12 ILE 68 - HA ILE 29 3.333% * 0.0542% (0.32 1.0 0.02 0.02) = 0.054% HG12 ILE 68 - HA THR 106 3.333% * 0.0480% (0.28 1.0 0.02 0.02) = 0.048% HG3 LYS+ 110 - HA ILE 29 3.333% * 0.0470% (0.27 1.0 0.02 0.02) = 0.047% QG2 VAL 99 - HA ILE 29 3.333% * 0.0470% (0.27 1.0 0.02 0.02) = 0.047% HG3 LYS+ 110 - HA THR 106 3.333% * 0.0417% (0.24 1.0 0.02 0.02) = 0.042% QG2 VAL 99 - HA THR 106 3.333% * 0.0417% (0.24 1.0 0.02 0.02) = 0.042% QG2 VAL 80 - HA ILE 29 3.333% * 0.0367% (0.21 1.0 0.02 0.02) = 0.037% QG2 VAL 80 - HA THR 106 3.333% * 0.0326% (0.19 1.0 0.02 0.30) = 0.033% QG2 VAL 62 - HA VAL 94 3.333% * 0.0160% (0.09 1.0 0.02 0.02) = 0.016% QG1 VAL 105 - HA VAL 94 3.333% * 0.0151% (0.09 1.0 0.02 0.02) = 0.015% QG2 VAL 73 - HA VAL 94 3.333% * 0.0151% (0.09 1.0 0.02 0.02) = 0.015% QD1 LEU 17 - HA VAL 94 3.333% * 0.0146% (0.09 1.0 0.02 7.18) = 0.015% QG2 ILE 29 - HA VAL 94 3.333% * 0.0146% (0.09 1.0 0.02 0.02) = 0.015% QG2 VAL 105 - HA VAL 94 3.333% * 0.0142% (0.08 1.0 0.02 0.02) = 0.014% HG12 ILE 68 - HA VAL 94 3.333% * 0.0099% (0.06 1.0 0.02 0.02) = 0.010% HG3 LYS+ 110 - HA VAL 94 3.333% * 0.0086% (0.05 1.0 0.02 0.10) = 0.009% QG2 VAL 99 - HA VAL 94 3.333% * 0.0086% (0.05 1.0 0.02 0.02) = 0.009% QG2 VAL 80 - HA VAL 94 3.333% * 0.0067% (0.04 1.0 0.02 0.02) = 0.007% Peak 538 (0.85, 0.84, 20.67 ppm): 1 diagonal assignment: * QG2 VAL 13 - QG2 VAL 13 (0.32) kept Peak 539 (0.71, 0.80, 61.61 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 545 (9.04, 4.31, 61.64 ppm): 9 chemical-shift based assignments, quality = 0.661, support = 2.02, residual support = 11.5: * O HN GLY 30 - HA ILE 29 11.111% * 99.7584% (0.66 10.0 2.02 11.57) = 99.758% kept HN THR 79 - HA ILE 29 11.111% * 0.1110% (0.74 1.0 0.02 0.18) = 0.111% HN THR 79 - HA VAL 94 11.111% * 0.0296% (0.20 1.0 0.02 0.02) = 0.030% HN GLY 30 - HA VAL 94 11.111% * 0.0266% (0.18 1.0 0.02 0.02) = 0.027% HN GLU- 54 - HA ILE 29 11.111% * 0.0254% (0.17 1.0 0.02 0.02) = 0.025% HN THR 79 - HA THR 106 11.111% * 0.0199% (0.13 1.0 0.02 0.02) = 0.020% HN GLY 30 - HA THR 106 11.111% * 0.0179% (0.12 1.0 0.02 0.02) = 0.018% HN GLU- 54 - HA VAL 94 11.111% * 0.0068% (0.05 1.0 0.02 0.02) = 0.007% HN GLU- 54 - HA THR 106 11.111% * 0.0046% (0.03 1.0 0.02 0.02) = 0.005% Peak 546 (8.81, 4.26, 61.69 ppm): 16 chemical-shift based assignments, quality = 0.247, support = 2.41, residual support = 11.0: * O HN LYS+ 60 - HA PRO 59 6.250% * 85.8453% (0.21 10.0 2.74 12.86) = 85.845% kept HN ASN 57 - HA VAL 94 6.250% * 5.4578% (0.82 1.0 0.33 0.02) = 5.458% kept HN LYS+ 32 - HA PRO 59 6.250% * 3.5100% (0.28 1.0 0.63 0.02) = 3.510% kept HN SER 69 - HA VAL 94 6.250% * 2.4381% (0.17 1.0 0.72 0.02) = 2.438% kept HN ASN 57 - HA PRO 59 6.250% * 1.8694% (0.30 1.0 0.31 0.02) = 1.869% kept HN LYS+ 32 - HA VAL 94 6.250% * 0.3084% (0.76 1.0 0.02 0.02) = 0.308% HN LYS+ 60 - HA VAL 94 6.250% * 0.2362% (0.58 1.0 0.02 0.02) = 0.236% HN ASN 57 - HA THR 106 6.250% * 0.0611% (0.15 1.0 0.02 0.02) = 0.061% HN LYS+ 32 - HA THR 106 6.250% * 0.0568% (0.14 1.0 0.02 0.02) = 0.057% HN ASN 57 - HA SER 49 6.250% * 0.0478% (0.12 1.0 0.02 0.02) = 0.048% HN LYS+ 32 - HA SER 49 6.250% * 0.0444% (0.11 1.0 0.02 0.02) = 0.044% HN LYS+ 60 - HA THR 106 6.250% * 0.0435% (0.11 1.0 0.02 0.02) = 0.044% HN LYS+ 60 - HA SER 49 6.250% * 0.0340% (0.08 1.0 0.02 0.02) = 0.034% HN SER 69 - HA PRO 59 6.250% * 0.0247% (0.06 1.0 0.02 0.02) = 0.025% HN SER 69 - HA THR 106 6.250% * 0.0125% (0.03 1.0 0.02 0.02) = 0.013% HN SER 69 - HA SER 49 6.250% * 0.0098% (0.02 1.0 0.02 0.54) = 0.010% Peak 547 (8.23, 4.22, 61.70 ppm): 22 chemical-shift based assignments, quality = 0.419, support = 3.23, residual support = 14.6: * O HN SER 49 - HA SER 49 4.545% * 89.5955% (0.44 10.0 3.45 15.22) = 89.596% kept HN GLY 58 - HA PRO 59 4.545% * 5.5341% (0.23 1.0 2.36 17.89) = 5.534% kept HN GLY 58 - HA SER 49 4.545% * 2.0188% (0.45 1.0 0.44 0.02) = 2.019% kept HN LYS+ 81 - HA SER 49 4.545% * 1.1023% (0.43 1.0 0.25 0.02) = 1.102% kept HN LEU 67 - HA SER 49 4.545% * 0.8746% (0.43 1.0 0.20 0.02) = 0.875% HN GLU- 12 - HA SER 49 4.545% * 0.3554% (0.40 1.0 0.09 0.02) = 0.355% HN VAL 94 - HA SER 49 4.545% * 0.0481% (0.23 1.0 0.02 0.02) = 0.048% HN SER 49 - HA PRO 59 4.545% * 0.0461% (0.23 1.0 0.02 0.02) = 0.046% HN LYS+ 81 - HA PRO 59 4.545% * 0.0454% (0.22 1.0 0.02 0.02) = 0.045% HN LEU 67 - HA PRO 59 4.545% * 0.0454% (0.22 1.0 0.02 0.80) = 0.045% HN VAL 105 - HA SER 49 4.545% * 0.0445% (0.22 1.0 0.02 0.02) = 0.044% HN GLU- 12 - HA PRO 59 4.545% * 0.0422% (0.21 1.0 0.02 0.02) = 0.042% HN THR 106 - HA SER 49 4.545% * 0.0410% (0.20 1.0 0.02 0.45) = 0.041% HN ASP- 115 - HA SER 49 4.545% * 0.0343% (0.17 1.0 0.02 0.02) = 0.034% HN ALA 11 - HA SER 49 4.545% * 0.0312% (0.15 1.0 0.02 0.24) = 0.031% HN GLU- 45 - HA SER 49 4.545% * 0.0254% (0.12 1.0 0.02 4.72) = 0.025% HN VAL 94 - HA PRO 59 4.545% * 0.0248% (0.12 1.0 0.02 0.02) = 0.025% HN VAL 105 - HA PRO 59 4.545% * 0.0229% (0.11 1.0 0.02 0.02) = 0.023% HN THR 106 - HA PRO 59 4.545% * 0.0211% (0.10 1.0 0.02 0.02) = 0.021% HN ASP- 115 - HA PRO 59 4.545% * 0.0177% (0.09 1.0 0.02 0.02) = 0.018% HN ALA 11 - HA PRO 59 4.545% * 0.0161% (0.08 1.0 0.02 0.02) = 0.016% HN GLU- 45 - HA PRO 59 4.545% * 0.0131% (0.06 1.0 0.02 0.02) = 0.013% Peak 549 (4.25, 4.27, 61.64 ppm): 3 diagonal assignments: * HA PRO 59 - HA PRO 59 (0.34) kept HA VAL 94 - HA VAL 94 (0.23) kept HA SER 49 - HA SER 49 (0.03) kept Peak 550 (4.04, 4.23, 61.72 ppm): 12 chemical-shift based assignments, quality = 0.188, support = 2.16, residual support = 14.7: * O T HB2 SER 49 - HA SER 49 8.333% * 54.2153% (0.21 10.0 10.00 2.28 15.22) = 54.215% kept O T HB3 SER 49 - HA SER 49 8.333% * 42.0951% (0.16 10.0 10.00 2.21 15.22) = 42.095% kept T HB3 SER 85 - HA SER 49 8.333% * 1.4318% (0.55 1.0 10.00 0.02 0.02) = 1.432% kept T HB3 SER 85 - HA PRO 59 8.333% * 0.6723% (0.26 1.0 10.00 0.02 0.02) = 0.672% T HA VAL 125 - HA SER 49 8.333% * 0.6476% (0.25 1.0 10.00 0.02 0.02) = 0.648% T HA VAL 125 - HA PRO 59 8.333% * 0.3041% (0.12 1.0 10.00 0.02 0.02) = 0.304% T HB2 SER 49 - HA PRO 59 8.333% * 0.2546% (0.10 1.0 10.00 0.02 0.02) = 0.255% T HB3 SER 49 - HA PRO 59 8.333% * 0.1977% (0.08 1.0 10.00 0.02 0.02) = 0.198% HB THR 38 - HA SER 49 8.333% * 0.0876% (0.34 1.0 1.00 0.02 0.02) = 0.088% HB THR 38 - HA PRO 59 8.333% * 0.0411% (0.16 1.0 1.00 0.02 0.02) = 0.041% HA VAL 13 - HA SER 49 8.333% * 0.0360% (0.14 1.0 1.00 0.02 0.02) = 0.036% HA VAL 13 - HA PRO 59 8.333% * 0.0169% (0.06 1.0 1.00 0.02 0.16) = 0.017% Peak 551 (3.79, 3.78, 61.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 552 (3.34, 4.29, 61.48 ppm): 2 chemical-shift based assignments, quality = 0.231, support = 0.02, residual support = 0.02: HB3 TYR 83 - HA ILE 29 50.000% * 53.6358% (0.25 0.02 0.02) = 53.636% kept HB3 TYR 83 - HA VAL 94 50.000% * 46.3642% (0.21 0.02 0.02) = 46.364% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 553 (2.02, 4.27, 61.68 ppm): 60 chemical-shift based assignments, quality = 0.723, support = 1.52, residual support = 2.72: * T HB2 GLU- 18 - HA VAL 94 1.667% * 69.3917% (0.83 10.00 1.93 3.64) = 69.392% kept T HB3 GLU- 64 - HA VAL 94 1.667% * 14.6452% (0.88 10.00 0.38 0.02) = 14.645% kept T HB3 GLU- 64 - HA PRO 59 1.667% * 4.2181% (0.21 10.00 0.46 0.02) = 4.218% kept T HB3 GLU- 75 - HA PRO 59 1.667% * 3.3932% (0.09 10.00 0.83 0.22) = 3.393% kept HB3 GLU- 107 - HA THR 106 1.667% * 2.6336% (0.22 1.00 2.81 6.73) = 2.634% kept T HB2 GLU- 18 - HA THR 106 1.667% * 0.7751% (0.19 10.00 0.10 0.02) = 0.775% T HB3 GLU- 54 - HA VAL 94 1.667% * 0.6929% (0.80 10.00 0.02 0.02) = 0.693% T HG3 GLU- 64 - HA VAL 94 1.667% * 0.6643% (0.77 10.00 0.02 0.02) = 0.664% T HB2 HIS+ 14 - HA VAL 94 1.667% * 0.6340% (0.73 10.00 0.02 0.02) = 0.634% T HB3 GLU- 75 - HA VAL 94 1.667% * 0.3384% (0.39 10.00 0.02 0.02) = 0.338% T HB3 GLU- 107 - HA PRO 59 1.667% * 0.1988% (0.23 10.00 0.02 0.02) = 0.199% T HB3 GLU- 10 - HA PRO 59 1.667% * 0.1839% (0.21 10.00 0.02 0.02) = 0.184% T HB3 GLU- 64 - HA THR 106 1.667% * 0.1734% (0.20 10.00 0.02 0.02) = 0.173% T HB2 GLU- 18 - HA PRO 59 1.667% * 0.1729% (0.20 10.00 0.02 0.02) = 0.173% T HB3 GLU- 54 - HA PRO 59 1.667% * 0.1664% (0.19 10.00 0.02 0.02) = 0.166% T HG3 GLU- 64 - HA PRO 59 1.667% * 0.1596% (0.18 10.00 0.02 0.02) = 0.160% T HB2 HIS+ 14 - HA PRO 59 1.667% * 0.1523% (0.18 10.00 0.02 0.02) = 0.152% T HG3 GLU- 64 - HA THR 106 1.667% * 0.1504% (0.17 10.00 0.02 0.02) = 0.150% HB3 GLU- 107 - HA VAL 94 1.667% * 0.0828% (0.95 1.00 0.02 0.02) = 0.083% HG2 PRO 116 - HA VAL 94 1.667% * 0.0822% (0.95 1.00 0.02 0.02) = 0.082% HB3 PRO 31 - HA VAL 94 1.667% * 0.0801% (0.92 1.00 0.02 0.02) = 0.080% T HB3 GLU- 75 - HA THR 106 1.667% * 0.0766% (0.09 10.00 0.02 0.02) = 0.077% HB3 GLU- 10 - HA VAL 94 1.667% * 0.0766% (0.88 1.00 0.02 0.02) = 0.077% HG3 PRO 112 - HA VAL 94 1.667% * 0.0693% (0.80 1.00 0.02 0.02) = 0.069% HB3 MET 118 - HA VAL 94 1.667% * 0.0634% (0.73 1.00 0.02 0.02) = 0.063% T HB3 GLU- 107 - HA SER 49 1.667% * 0.0615% (0.07 10.00 0.02 0.02) = 0.062% T HB3 GLU- 64 - HA SER 49 1.667% * 0.0569% (0.07 10.00 0.02 0.82) = 0.057% T HB3 GLU- 10 - HA SER 49 1.667% * 0.0569% (0.07 10.00 0.02 0.02) = 0.057% T HB2 GLU- 18 - HA SER 49 1.667% * 0.0535% (0.06 10.00 0.02 0.02) = 0.053% T HB3 GLU- 54 - HA SER 49 1.667% * 0.0515% (0.06 10.00 0.02 0.02) = 0.051% HG2 PRO 112 - HA VAL 94 1.667% * 0.0493% (0.57 1.00 0.02 0.02) = 0.049% T HB2 HIS+ 14 - HA SER 49 1.667% * 0.0471% (0.05 10.00 0.02 0.02) = 0.047% HB3 LYS+ 110 - HA VAL 94 1.667% * 0.0404% (0.47 1.00 0.02 0.10) = 0.040% T HB3 GLU- 75 - HA SER 49 1.667% * 0.0251% (0.03 10.00 0.02 0.02) = 0.025% HG2 PRO 116 - HA PRO 59 1.667% * 0.0198% (0.23 1.00 0.02 0.02) = 0.020% HB3 PRO 31 - HA PRO 59 1.667% * 0.0192% (0.22 1.00 0.02 0.02) = 0.019% HG2 PRO 116 - HA THR 106 1.667% * 0.0186% (0.21 1.00 0.02 0.02) = 0.019% HB3 PRO 31 - HA THR 106 1.667% * 0.0181% (0.21 1.00 0.02 0.02) = 0.018% HB3 GLU- 10 - HA THR 106 1.667% * 0.0173% (0.20 1.00 0.02 0.02) = 0.017% HG3 PRO 112 - HA PRO 59 1.667% * 0.0166% (0.19 1.00 0.02 0.02) = 0.017% HB3 GLU- 54 - HA THR 106 1.667% * 0.0157% (0.18 1.00 0.02 0.02) = 0.016% HG3 PRO 112 - HA THR 106 1.667% * 0.0157% (0.18 1.00 0.02 0.02) = 0.016% HB3 MET 118 - HA PRO 59 1.667% * 0.0152% (0.18 1.00 0.02 0.02) = 0.015% HG3 PRO 86 - HA VAL 94 1.667% * 0.0145% (0.17 1.00 0.02 0.02) = 0.015% HB2 HIS+ 14 - HA THR 106 1.667% * 0.0144% (0.17 1.00 0.02 0.02) = 0.014% HB3 MET 118 - HA THR 106 1.667% * 0.0144% (0.17 1.00 0.02 0.02) = 0.014% HG2 PRO 112 - HA PRO 59 1.667% * 0.0118% (0.14 1.00 0.02 0.02) = 0.012% HG2 PRO 112 - HA THR 106 1.667% * 0.0112% (0.13 1.00 0.02 0.02) = 0.011% HB3 LYS+ 110 - HA PRO 59 1.667% * 0.0097% (0.11 1.00 0.02 0.02) = 0.010% HB3 LYS+ 110 - HA THR 106 1.667% * 0.0091% (0.11 1.00 0.02 0.02) = 0.009% HG2 PRO 116 - HA SER 49 1.667% * 0.0061% (0.07 1.00 0.02 0.02) = 0.006% HB3 PRO 31 - HA SER 49 1.667% * 0.0059% (0.07 1.00 0.02 0.02) = 0.006% HG3 PRO 112 - HA SER 49 1.667% * 0.0051% (0.06 1.00 0.02 0.02) = 0.005% HG3 GLU- 64 - HA SER 49 1.667% * 0.0049% (0.06 1.00 0.02 0.82) = 0.005% HB3 MET 118 - HA SER 49 1.667% * 0.0047% (0.05 1.00 0.02 0.02) = 0.005% HG2 PRO 112 - HA SER 49 1.667% * 0.0037% (0.04 1.00 0.02 0.02) = 0.004% HG3 PRO 86 - HA PRO 59 1.667% * 0.0035% (0.04 1.00 0.02 0.02) = 0.003% HG3 PRO 86 - HA THR 106 1.667% * 0.0033% (0.04 1.00 0.02 0.02) = 0.003% HB3 LYS+ 110 - HA SER 49 1.667% * 0.0030% (0.03 1.00 0.02 0.02) = 0.003% HG3 PRO 86 - HA SER 49 1.667% * 0.0011% (0.01 1.00 0.02 0.02) = 0.001% Peak 554 (1.96, 4.30, 61.72 ppm): 45 chemical-shift based assignments, quality = 0.276, support = 1.1, residual support = 1.11: T HB3 GLU- 56 - HA VAL 94 2.222% * 68.7447% (0.30 10.00 1.38 1.53) = 68.745% kept T HB2 GLU- 75 - HA VAL 94 2.222% * 10.7464% (0.16 10.00 0.39 0.02) = 10.746% kept HG2 PRO 112 - HA ILE 29 2.222% * 6.8631% (0.38 1.00 1.06 0.85) = 6.863% kept HG3 PRO 31 - HA ILE 29 2.222% * 2.9792% (0.54 1.00 0.33 0.02) = 2.979% kept HB2 PRO 86 - HA VAL 94 2.222% * 2.5892% (0.21 1.00 0.73 0.02) = 2.589% kept HB2 LYS+ 108 - HA VAL 94 2.222% * 1.5001% (0.13 1.00 0.67 0.02) = 1.500% kept T HB3 GLU- 109 - HA VAL 94 2.222% * 1.4240% (0.42 10.00 0.02 0.02) = 1.424% kept HB3 LYS+ 55 - HA VAL 94 2.222% * 0.7188% (0.24 1.00 0.17 0.02) = 0.719% HB3 GLU- 109 - HA ILE 29 2.222% * 0.2940% (0.87 1.00 0.02 0.02) = 0.294% HB VAL 13 - HA ILE 29 2.222% * 0.2769% (0.82 1.00 0.02 0.02) = 0.277% HG3 PRO 116 - HA ILE 29 2.222% * 0.2690% (0.80 1.00 0.02 0.02) = 0.269% HB VAL 73 - HA ILE 29 2.222% * 0.2602% (0.77 1.00 0.02 0.02) = 0.260% HB2 PRO 35 - HA ILE 29 2.222% * 0.2505% (0.74 1.00 0.02 0.02) = 0.251% HG3 PRO 104 - HA ILE 29 2.222% * 0.2402% (0.71 1.00 0.02 0.02) = 0.240% HB3 GLU- 56 - HA ILE 29 2.222% * 0.2060% (0.61 1.00 0.02 0.02) = 0.206% HB3 LYS+ 55 - HA ILE 29 2.222% * 0.1698% (0.50 1.00 0.02 0.02) = 0.170% HB2 PRO 86 - HA ILE 29 2.222% * 0.1460% (0.43 1.00 0.02 0.02) = 0.146% HB VAL 13 - HA VAL 94 2.222% * 0.1341% (0.40 1.00 0.02 0.02) = 0.134% HG3 PRO 116 - HA VAL 94 2.222% * 0.1303% (0.39 1.00 0.02 0.02) = 0.130% HB3 GLU- 109 - HA THR 106 2.222% * 0.1297% (0.38 1.00 0.02 0.02) = 0.130% HB VAL 73 - HA VAL 94 2.222% * 0.1260% (0.37 1.00 0.02 0.02) = 0.126% HB VAL 13 - HA THR 106 2.222% * 0.1221% (0.36 1.00 0.02 0.02) = 0.122% HB2 PRO 35 - HA VAL 94 2.222% * 0.1213% (0.36 1.00 0.02 0.02) = 0.121% HG3 PRO 116 - HA THR 106 2.222% * 0.1187% (0.35 1.00 0.02 0.02) = 0.119% HG3 PRO 104 - HA VAL 94 2.222% * 0.1163% (0.34 1.00 0.02 0.02) = 0.116% HB VAL 73 - HA THR 106 2.222% * 0.1148% (0.34 1.00 0.02 0.11) = 0.115% HB2 GLU- 75 - HA ILE 29 2.222% * 0.1126% (0.33 1.00 0.02 0.02) = 0.113% HB2 PRO 35 - HA THR 106 2.222% * 0.1105% (0.33 1.00 0.02 0.02) = 0.111% HG3 PRO 104 - HA THR 106 2.222% * 0.1059% (0.31 1.00 0.02 0.02) = 0.106% HB2 LYS+ 108 - HA ILE 29 2.222% * 0.0926% (0.27 1.00 0.02 0.02) = 0.093% HB3 GLU- 56 - HA THR 106 2.222% * 0.0909% (0.27 1.00 0.02 0.02) = 0.091% HG3 PRO 31 - HA VAL 94 2.222% * 0.0881% (0.26 1.00 0.02 0.02) = 0.088% HG3 PRO 31 - HA THR 106 2.222% * 0.0802% (0.24 1.00 0.02 0.02) = 0.080% HB3 LYS+ 55 - HA THR 106 2.222% * 0.0749% (0.22 1.00 0.02 0.02) = 0.075% HB2 PRO 86 - HA THR 106 2.222% * 0.0644% (0.19 1.00 0.02 0.02) = 0.064% HG2 PRO 112 - HA VAL 94 2.222% * 0.0627% (0.19 1.00 0.02 0.02) = 0.063% HG2 PRO 112 - HA THR 106 2.222% * 0.0571% (0.17 1.00 0.02 0.02) = 0.057% HB2 GLU- 75 - HA THR 106 2.222% * 0.0497% (0.15 1.00 0.02 0.02) = 0.050% HB2 GLU- 10 - HA ILE 29 2.222% * 0.0463% (0.14 1.00 0.02 0.02) = 0.046% HB2 PRO 116 - HA ILE 29 2.222% * 0.0463% (0.14 1.00 0.02 0.02) = 0.046% HB2 LYS+ 108 - HA THR 106 2.222% * 0.0408% (0.12 1.00 0.02 0.02) = 0.041% HB2 GLU- 10 - HA VAL 94 2.222% * 0.0224% (0.07 1.00 0.02 0.02) = 0.022% HB2 PRO 116 - HA VAL 94 2.222% * 0.0224% (0.07 1.00 0.02 0.02) = 0.022% HB2 GLU- 10 - HA THR 106 2.222% * 0.0204% (0.06 1.00 0.02 0.02) = 0.020% HB2 PRO 116 - HA THR 106 2.222% * 0.0204% (0.06 1.00 0.02 0.02) = 0.020% Peak 555 (1.04, 0.89, 20.35 ppm): 1 chemical-shift based assignment, quality = 0.539, support = 0.02, residual support = 0.02: HG3 LYS+ 20 - QG2 VAL 125 100.000% *100.0000% (0.54 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 556 (0.87, 2.09, 20.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 557 (0.84, 4.27, 61.72 ppm): 32 chemical-shift based assignments, quality = 0.289, support = 3.4, residual support = 37.7: * O T QG1 VAL 94 - HA VAL 94 3.125% * 66.6171% (0.34 10.0 10.00 4.29 53.27) = 66.617% kept T QD2 LEU 17 - HA VAL 94 3.125% * 30.6123% (0.18 1.0 10.00 1.74 7.18) = 30.612% kept QG1 VAL 13 - HA VAL 94 3.125% * 1.4336% (0.58 1.0 1.00 0.25 0.02) = 1.434% kept QG2 VAL 13 - HA VAL 94 3.125% * 0.1771% (0.90 1.0 1.00 0.02 0.02) = 0.177% T QG1 VAL 94 - HA THR 106 3.125% * 0.1612% (0.08 1.0 10.00 0.02 0.02) = 0.161% HG2 LYS+ 117 - HA VAL 94 3.125% * 0.1540% (0.78 1.0 1.00 0.02 0.02) = 0.154% QD1 ILE 29 - HA VAL 94 3.125% * 0.1148% (0.58 1.0 1.00 0.02 0.02) = 0.115% T QD2 LEU 17 - HA THR 106 3.125% * 0.0850% (0.04 1.0 10.00 0.02 0.02) = 0.085% QD1 LEU 90 - HA VAL 94 3.125% * 0.0796% (0.41 1.0 1.00 0.02 0.02) = 0.080% QG2 ILE 100 - HA VAL 94 3.125% * 0.0730% (0.37 1.0 1.00 0.02 0.02) = 0.073% QG2 VAL 13 - HA PRO 59 3.125% * 0.0449% (0.23 1.0 1.00 0.02 0.16) = 0.045% QG2 VAL 13 - HA THR 106 3.125% * 0.0429% (0.22 1.0 1.00 0.02 0.02) = 0.043% HG2 LYS+ 117 - HA PRO 59 3.125% * 0.0391% (0.20 1.0 1.00 0.02 0.02) = 0.039% HG2 LYS+ 117 - HA THR 106 3.125% * 0.0373% (0.19 1.0 1.00 0.02 0.02) = 0.037% QG1 VAL 13 - HA PRO 59 3.125% * 0.0291% (0.15 1.0 1.00 0.02 0.16) = 0.029% QD1 ILE 29 - HA PRO 59 3.125% * 0.0291% (0.15 1.0 1.00 0.02 0.02) = 0.029% QD1 ILE 29 - HA THR 106 3.125% * 0.0278% (0.14 1.0 1.00 0.02 0.02) = 0.028% QG1 VAL 13 - HA THR 106 3.125% * 0.0278% (0.14 1.0 1.00 0.02 0.02) = 0.028% QG2 VAL 13 - HA SER 49 3.125% * 0.0245% (0.12 1.0 1.00 0.02 0.02) = 0.025% HG2 LYS+ 117 - HA SER 49 3.125% * 0.0213% (0.11 1.0 1.00 0.02 0.55) = 0.021% QD1 LEU 90 - HA PRO 59 3.125% * 0.0202% (0.10 1.0 1.00 0.02 0.02) = 0.020% QD1 LEU 90 - HA THR 106 3.125% * 0.0193% (0.10 1.0 1.00 0.02 0.02) = 0.019% QG2 ILE 100 - HA PRO 59 3.125% * 0.0185% (0.09 1.0 1.00 0.02 0.02) = 0.019% QG2 ILE 100 - HA THR 106 3.125% * 0.0177% (0.09 1.0 1.00 0.02 0.02) = 0.018% QG1 VAL 94 - HA PRO 59 3.125% * 0.0169% (0.09 1.0 1.00 0.02 0.02) = 0.017% QD1 ILE 29 - HA SER 49 3.125% * 0.0159% (0.08 1.0 1.00 0.02 0.02) = 0.016% QG1 VAL 13 - HA SER 49 3.125% * 0.0159% (0.08 1.0 1.00 0.02 0.02) = 0.016% QD1 LEU 90 - HA SER 49 3.125% * 0.0110% (0.06 1.0 1.00 0.02 0.02) = 0.011% QG2 ILE 100 - HA SER 49 3.125% * 0.0101% (0.05 1.0 1.00 0.02 1.46) = 0.010% QG1 VAL 94 - HA SER 49 3.125% * 0.0092% (0.05 1.0 1.00 0.02 0.02) = 0.009% QD2 LEU 17 - HA PRO 59 3.125% * 0.0089% (0.05 1.0 1.00 0.02 0.02) = 0.009% QD2 LEU 17 - HA SER 49 3.125% * 0.0049% (0.02 1.0 1.00 0.02 0.02) = 0.005% Peak 558 (0.70, 4.26, 61.76 ppm): 48 chemical-shift based assignments, quality = 0.468, support = 2.25, residual support = 25.9: * O T QG2 VAL 94 - HA VAL 94 2.083% * 46.2045% (0.51 10.0 10.00 3.95 53.27) = 46.204% kept T QG2 THR 96 - HA VAL 94 2.083% * 15.0288% (0.81 1.0 10.00 0.41 0.56) = 15.029% kept T QG2 ILE 101 - HA SER 49 2.083% * 6.4527% (0.18 1.0 10.00 0.78 2.59) = 6.453% kept T QG2 ILE 101 - HA PRO 59 2.083% * 6.1510% (0.18 1.0 10.00 0.74 1.80) = 6.151% kept T QG1 VAL 65 - HA SER 49 2.083% * 4.7972% (0.18 1.0 10.00 0.58 0.10) = 4.797% kept T QG2 THR 96 - HA PRO 59 2.083% * 4.1559% (0.18 1.0 10.00 0.52 0.02) = 4.156% kept QG2 ILE 48 - HA VAL 94 2.083% * 3.3831% (0.79 1.0 1.00 0.94 0.02) = 3.383% kept QD1 ILE 19 - HA VAL 94 2.083% * 3.1336% (0.58 1.0 1.00 1.20 0.38) = 3.134% kept QG2 ILE 48 - HA SER 49 2.083% * 3.1119% (0.17 1.0 1.00 3.98 28.94) = 3.112% kept HG12 ILE 19 - HA VAL 94 2.083% * 1.9668% (0.48 1.0 1.00 0.91 0.38) = 1.967% kept T QG2 ILE 68 - HA SER 49 2.083% * 1.5852% (0.11 1.0 10.00 0.31 1.95) = 1.585% kept T QG2 THR 96 - HA SER 49 2.083% * 1.3444% (0.18 1.0 10.00 0.17 0.02) = 1.344% kept QG2 ILE 101 - HA VAL 94 2.083% * 1.0248% (0.84 1.0 1.00 0.27 0.02) = 1.025% kept T QG2 ILE 68 - HA PRO 59 2.083% * 0.5790% (0.11 1.0 10.00 0.11 0.21) = 0.579% T QG2 THR 96 - HA THR 106 2.083% * 0.2157% (0.24 1.0 10.00 0.02 0.02) = 0.216% T QG2 VAL 94 - HA THR 106 2.083% * 0.1356% (0.15 1.0 10.00 0.02 0.02) = 0.136% T QG1 VAL 40 - HA VAL 94 2.083% * 0.1334% (0.15 1.0 10.00 0.02 0.02) = 0.133% T QG2 VAL 94 - HA PRO 59 2.083% * 0.1013% (0.11 1.0 10.00 0.02 0.02) = 0.101% QG1 VAL 65 - HA VAL 94 2.083% * 0.0760% (0.84 1.0 1.00 0.02 0.02) = 0.076% QG2 ILE 68 - HA VAL 94 2.083% * 0.0462% (0.51 1.0 1.00 0.02 0.02) = 0.046% HG LEU 74 - HA VAL 94 2.083% * 0.0401% (0.44 1.0 1.00 0.02 0.02) = 0.040% T QG1 VAL 40 - HA THR 106 2.083% * 0.0391% (0.04 1.0 10.00 0.02 0.02) = 0.039% T QG1 VAL 40 - HA PRO 59 2.083% * 0.0292% (0.03 1.0 10.00 0.02 0.92) = 0.029% QG2 ILE 101 - HA THR 106 2.083% * 0.0224% (0.25 1.0 1.00 0.02 0.02) = 0.022% QG1 VAL 65 - HA THR 106 2.083% * 0.0223% (0.25 1.0 1.00 0.02 0.02) = 0.022% QG2 ILE 48 - HA THR 106 2.083% * 0.0211% (0.23 1.0 1.00 0.02 0.02) = 0.021% QG1 VAL 65 - HA PRO 59 2.083% * 0.0167% (0.18 1.0 1.00 0.02 0.02) = 0.017% QG2 ILE 48 - HA PRO 59 2.083% * 0.0157% (0.17 1.0 1.00 0.02 0.02) = 0.016% QD1 ILE 19 - HA THR 106 2.083% * 0.0154% (0.17 1.0 1.00 0.02 0.02) = 0.015% QG2 ILE 68 - HA THR 106 2.083% * 0.0136% (0.15 1.0 1.00 0.02 0.02) = 0.014% HG12 ILE 19 - HA THR 106 2.083% * 0.0127% (0.14 1.0 1.00 0.02 0.02) = 0.013% HG LEU 74 - HA THR 106 2.083% * 0.0118% (0.13 1.0 1.00 0.02 0.02) = 0.012% QG1 VAL 62 - HA VAL 94 2.083% * 0.0118% (0.13 1.0 1.00 0.02 0.02) = 0.012% QD1 ILE 68 - HA VAL 94 2.083% * 0.0118% (0.13 1.0 1.00 0.02 0.02) = 0.012% QD1 ILE 19 - HA PRO 59 2.083% * 0.0115% (0.13 1.0 1.00 0.02 0.02) = 0.011% QD1 ILE 19 - HA SER 49 2.083% * 0.0114% (0.13 1.0 1.00 0.02 0.02) = 0.011% QG2 VAL 94 - HA SER 49 2.083% * 0.0101% (0.11 1.0 1.00 0.02 0.02) = 0.010% HG12 ILE 19 - HA PRO 59 2.083% * 0.0095% (0.10 1.0 1.00 0.02 0.02) = 0.009% HG12 ILE 19 - HA SER 49 2.083% * 0.0094% (0.10 1.0 1.00 0.02 0.02) = 0.009% HG LEU 74 - HA PRO 59 2.083% * 0.0088% (0.10 1.0 1.00 0.02 1.53) = 0.009% HG LEU 74 - HA SER 49 2.083% * 0.0087% (0.10 1.0 1.00 0.02 0.71) = 0.009% QG1 VAL 62 - HA THR 106 2.083% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% QD1 ILE 68 - HA THR 106 2.083% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% QG1 VAL 40 - HA SER 49 2.083% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% QG1 VAL 62 - HA PRO 59 2.083% * 0.0026% (0.03 1.0 1.00 0.02 0.02) = 0.003% QD1 ILE 68 - HA PRO 59 2.083% * 0.0026% (0.03 1.0 1.00 0.02 0.21) = 0.003% QG1 VAL 62 - HA SER 49 2.083% * 0.0026% (0.03 1.0 1.00 0.02 0.02) = 0.003% QD1 ILE 68 - HA SER 49 2.083% * 0.0026% (0.03 1.0 1.00 0.02 1.95) = 0.003% Peak 559 (0.60, 0.86, 20.27 ppm): 3 chemical-shift based assignments, quality = 0.216, support = 0.195, residual support = 0.0776: QG2 ILE 48 - QG2 VAL 125 33.333% * 41.0830% (0.16 0.28 0.16) = 41.083% kept QG2 VAL 122 - QG2 VAL 125 33.333% * 34.0941% (0.22 0.17 0.02) = 34.094% kept QD1 LEU 23 - QG2 VAL 125 33.333% * 24.8229% (0.30 0.09 0.02) = 24.823% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 560 (0.24, 0.88, 20.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 561 (8.99, 1.14, 19.88 ppm): 2 chemical-shift based assignments, quality = 0.16, support = 2.49, residual support = 2.61: * HN ILE 19 - QB ALA 33 50.000% * 98.6058% (0.16 2.52 2.65) = 98.606% kept HN MET 97 - QB ALA 33 50.000% * 1.3942% (0.06 0.09 0.02) = 1.394% kept Not enough quality. Peak unassigned. Peak 562 (8.78, 1.15, 19.89 ppm): 4 chemical-shift based assignments, quality = 0.203, support = 2.45, residual support = 7.79: * HN PHE 34 - QB ALA 33 25.000% * 97.3738% (0.21 2.52 8.00) = 97.374% kept HN THR 95 - QB ALA 33 25.000% * 1.1318% (0.30 0.02 0.02) = 1.132% kept HN SER 69 - QB ALA 33 25.000% * 0.9580% (0.25 0.02 0.02) = 0.958% HN VAL 62 - QB ALA 33 25.000% * 0.5364% (0.14 0.02 0.02) = 0.536% Peak 563 (8.20, 1.14, 19.89 ppm): 7 chemical-shift based assignments, quality = 0.245, support = 3.07, residual support = 9.83: * O HN ALA 33 - QB ALA 33 14.286% * 96.7955% (0.25 10.0 3.13 10.11) = 96.796% kept HN GLN 16 - QB ALA 33 14.286% * 1.4991% (0.04 1.0 1.83 2.54) = 1.499% kept HN SER 49 - QB ALA 33 14.286% * 1.3347% (0.05 1.0 1.26 0.33) = 1.335% kept HN GLU- 45 - QB ALA 33 14.286% * 0.1084% (0.28 1.0 0.02 0.02) = 0.108% HN ALA 11 - QB ALA 33 14.286% * 0.1010% (0.26 1.0 0.02 0.02) = 0.101% HN VAL 105 - QB ALA 33 14.286% * 0.0830% (0.22 1.0 0.02 0.02) = 0.083% HN VAL 94 - QB ALA 33 14.286% * 0.0782% (0.20 1.0 0.02 0.02) = 0.078% Peak 564 (4.95, 1.14, 19.89 ppm): 4 chemical-shift based assignments, quality = 0.218, support = 2.03, residual support = 9.35: * O HA ALA 33 - QB ALA 33 25.000% * 92.3140% (0.21 10.0 2.10 10.11) = 92.314% kept HA ILE 101 - QB ALA 33 25.000% * 7.4914% (0.27 1.0 1.29 0.23) = 7.491% kept HA HIS+ 98 - QB ALA 33 25.000% * 0.1344% (0.31 1.0 0.02 0.02) = 0.134% HA MET 97 - QB ALA 33 25.000% * 0.0603% (0.14 1.0 0.02 0.02) = 0.060% Peak 565 (4.49, 1.15, 19.90 ppm): 8 chemical-shift based assignments, quality = 0.265, support = 1.86, residual support = 13.1: * HA LYS+ 32 - QB ALA 33 12.500% * 74.8335% (0.30 2.17 17.00) = 74.833% kept HA GLN 102 - QB ALA 33 12.500% * 22.0525% (0.18 1.09 1.76) = 22.053% kept HA CYS 123 - QB ALA 33 12.500% * 0.7105% (0.31 0.02 0.02) = 0.710% HA SER 77 - QB ALA 33 12.500% * 0.7105% (0.31 0.02 0.02) = 0.710% HA MET 126 - QB ALA 33 12.500% * 0.5589% (0.24 0.02 0.02) = 0.559% HB THR 79 - QB ALA 33 12.500% * 0.4668% (0.20 0.02 0.02) = 0.467% HA ILE 100 - QB ALA 33 12.500% * 0.4049% (0.18 0.02 0.02) = 0.405% HA LYS+ 55 - QB ALA 33 12.500% * 0.2625% (0.11 0.02 0.02) = 0.263% Peak 566 (4.32, 1.38, 19.93 ppm): 18 chemical-shift based assignments, quality = 0.564, support = 1.26, residual support = 5.48: * O T HA ALA 93 - QB ALA 93 5.556% * 96.1122% (0.58 10.0 10.00 1.31 5.71) = 96.112% kept T HA ALA 93 - QB ALA 11 5.556% * 2.2373% (0.22 1.0 10.00 0.13 0.02) = 2.237% kept T HA ILE 29 - QB ALA 93 5.556% * 0.8892% (0.54 1.0 10.00 0.02 0.02) = 0.889% T HA ALA 93 - QB ALA 37 5.556% * 0.2884% (0.17 1.0 10.00 0.02 0.02) = 0.288% T HA ILE 29 - QB ALA 37 5.556% * 0.2669% (0.16 1.0 10.00 0.02 0.02) = 0.267% HA ASP- 36 - QB ALA 93 5.556% * 0.0432% (0.26 1.0 1.00 0.02 0.02) = 0.043% HA ILE 29 - QB ALA 11 5.556% * 0.0330% (0.20 1.0 1.00 0.02 0.02) = 0.033% HA CYS 121 - QB ALA 93 5.556% * 0.0240% (0.15 1.0 1.00 0.02 0.02) = 0.024% HA THR 106 - QB ALA 93 5.556% * 0.0214% (0.13 1.0 1.00 0.02 0.02) = 0.021% HA ASP- 36 - QB ALA 11 5.556% * 0.0160% (0.10 1.0 1.00 0.02 0.02) = 0.016% HB3 CYS 121 - QB ALA 93 5.556% * 0.0149% (0.09 1.0 1.00 0.02 0.02) = 0.015% HA ASP- 36 - QB ALA 37 5.556% * 0.0130% (0.08 1.0 1.00 0.02 21.57) = 0.013% HA CYS 121 - QB ALA 11 5.556% * 0.0089% (0.05 1.0 1.00 0.02 0.02) = 0.009% HA THR 106 - QB ALA 11 5.556% * 0.0080% (0.05 1.0 1.00 0.02 0.02) = 0.008% HA CYS 121 - QB ALA 37 5.556% * 0.0072% (0.04 1.0 1.00 0.02 0.02) = 0.007% HA THR 106 - QB ALA 37 5.556% * 0.0064% (0.04 1.0 1.00 0.02 0.02) = 0.006% HB3 CYS 121 - QB ALA 11 5.556% * 0.0055% (0.03 1.0 1.00 0.02 0.02) = 0.006% HB3 CYS 121 - QB ALA 37 5.556% * 0.0045% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 567 (3.86, 3.85, 61.37 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 568 (3.53, 3.52, 61.26 ppm): 1 diagonal assignment: * HA LYS+ 44 - HA LYS+ 44 (0.95) kept Peak 569 (2.14, 3.52, 61.29 ppm): 10 chemical-shift based assignments, quality = 0.715, support = 2.88, residual support = 12.9: * T HB VAL 47 - HA LYS+ 44 10.000% * 50.5827% (0.78 10.00 3.44 20.97) = 50.583% kept T HB3 GLU- 75 - HA LYS+ 44 10.000% * 42.7418% (0.66 10.00 2.30 3.27) = 42.742% kept HG2 GLU- 45 - HA LYS+ 44 10.000% * 5.3185% (0.57 1.00 2.90 16.90) = 5.319% kept HG2 PRO 112 - HA LYS+ 44 10.000% * 1.0510% (0.86 1.00 0.37 0.27) = 1.051% kept T HB2 GLU- 56 - HA LYS+ 44 10.000% * 0.1348% (0.21 10.00 0.02 0.02) = 0.135% HB3 LYS+ 78 - HA LYS+ 44 10.000% * 0.0573% (0.88 1.00 0.02 0.02) = 0.057% HB2 ASP- 28 - HA LYS+ 44 10.000% * 0.0543% (0.84 1.00 0.02 0.02) = 0.054% HB VAL 105 - HA LYS+ 44 10.000% * 0.0249% (0.38 1.00 0.02 0.11) = 0.025% HG2 PRO 104 - HA LYS+ 44 10.000% * 0.0227% (0.35 1.00 0.02 0.02) = 0.023% HB VAL 87 - HA LYS+ 44 10.000% * 0.0120% (0.18 1.00 0.02 0.02) = 0.012% Peak 570 (1.89, 1.15, 19.91 ppm): 12 chemical-shift based assignments, quality = 0.337, support = 2.26, residual support = 5.66: * HG2 GLU- 18 - QB ALA 33 8.333% * 60.5718% (0.36 3.18 8.16) = 60.572% kept HB3 GLN 16 - QB ALA 33 8.333% * 21.3633% (0.36 1.12 2.54) = 21.363% kept HB3 GLN 102 - QB ALA 33 8.333% * 9.6391% (0.24 0.77 1.76) = 9.639% kept HB3 CYS 123 - QB ALA 33 8.333% * 4.6112% (0.36 0.24 0.02) = 4.611% kept HB3 ARG+ 84 - QB ALA 33 8.333% * 2.0584% (0.13 0.31 0.02) = 2.058% kept HG2 PRO 112 - QB ALA 33 8.333% * 0.4488% (0.10 0.09 0.02) = 0.449% HB3 ARG+ 53 - QB ALA 33 8.333% * 0.3481% (0.33 0.02 0.02) = 0.348% HB2 PRO 112 - QB ALA 33 8.333% * 0.3179% (0.30 0.02 0.02) = 0.318% HG3 LYS+ 120 - QB ALA 33 8.333% * 0.2354% (0.22 0.02 0.02) = 0.235% HD3 LYS+ 63 - QB ALA 33 8.333% * 0.1740% (0.16 0.02 0.02) = 0.174% HD3 PRO 52 - QB ALA 33 8.333% * 0.1457% (0.14 0.02 0.02) = 0.146% HB2 LEU 23 - QB ALA 33 8.333% * 0.0864% (0.08 0.02 0.02) = 0.086% Peak 571 (1.68, 1.41, 19.78 ppm): 9 chemical-shift based assignments, quality = 0.56, support = 0.02, residual support = 0.0271: T HB ILE 100 - QB ALA 93 11.111% * 44.6785% (0.39 10.00 0.02 0.02) = 44.679% kept HD3 LYS+ 55 - QB ALA 93 11.111% * 9.9655% (0.88 1.00 0.02 0.02) = 9.966% kept HG13 ILE 19 - QB ALA 93 11.111% * 9.7682% (0.86 1.00 0.02 0.02) = 9.768% kept HG2 PRO 52 - QB ALA 93 11.111% * 8.9374% (0.79 1.00 0.02 0.02) = 8.937% kept HB3 LYS+ 81 - QB ALA 93 11.111% * 7.9798% (0.70 1.00 0.02 0.11) = 7.980% kept HB3 MET 126 - QB ALA 93 11.111% * 6.4467% (0.57 1.00 0.02 0.02) = 6.447% kept HB3 MET 97 - QB ALA 93 11.111% * 5.6420% (0.50 1.00 0.02 0.02) = 5.642% kept HB3 LYS+ 66 - QB ALA 93 11.111% * 4.0969% (0.36 1.00 0.02 0.02) = 4.097% kept HG3 ARG+ 84 - QB ALA 93 11.111% * 2.4849% (0.22 1.00 0.02 0.02) = 2.485% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 572 (1.76, 1.15, 20.01 ppm): 11 chemical-shift based assignments, quality = 0.448, support = 1.36, residual support = 3.46: HB3 GLU- 18 - QB ALA 33 9.091% * 37.8623% (0.51 1.81 8.16) = 37.862% kept HB2 LEU 17 - QB ALA 33 9.091% * 27.9457% (0.48 1.40 0.69) = 27.946% kept HB ILE 48 - QB ALA 33 9.091% * 13.5004% (0.20 1.68 1.25) = 13.500% kept HD3 PRO 59 - QB ALA 33 9.091% * 6.2998% (0.57 0.27 0.02) = 6.300% kept HB2 ARG+ 84 - QB ALA 33 9.091% * 5.8849% (0.46 0.31 0.02) = 5.885% kept HG2 ARG+ 84 - QB ALA 33 9.091% * 5.6465% (0.48 0.28 0.02) = 5.647% kept HG2 PRO 31 - QB ALA 33 9.091% * 1.9032% (0.22 0.21 0.02) = 1.903% kept HG3 ARG+ 53 - QB ALA 33 9.091% * 0.2742% (0.33 0.02 0.02) = 0.274% HB2 LYS+ 117 - QB ALA 33 9.091% * 0.2537% (0.31 0.02 0.02) = 0.254% HB3 LEU 23 - QB ALA 33 9.091% * 0.2337% (0.28 0.02 0.02) = 0.234% HG3 LYS+ 63 - QB ALA 33 9.091% * 0.1956% (0.24 0.02 0.02) = 0.196% Peak 573 (1.62, 4.25, 61.41 ppm): 20 chemical-shift based assignments, quality = 0.548, support = 0.0197, residual support = 0.183: T HG12 ILE 101 - HA VAL 94 5.000% * 17.4048% (0.19 10.00 0.02 0.02) = 17.405% kept HB ILE 68 - HA PRO 59 5.000% * 8.3271% (0.89 1.00 0.02 0.21) = 8.327% kept HG LEU 43 - HA PRO 59 5.000% * 8.3271% (0.89 1.00 0.02 0.02) = 8.327% kept HB VAL 122 - HA PRO 59 5.000% * 8.3271% (0.89 1.00 0.02 0.02) = 8.327% kept HG12 ILE 101 - HA PRO 59 5.000% * 8.2718% (0.89 1.00 0.02 1.80) = 8.272% kept HG LEU 23 - HA PRO 59 5.000% * 8.0541% (0.86 1.00 0.02 0.02) = 8.054% kept T HB3 PRO 52 - HA VAL 94 5.000% * 7.8728% (0.08 10.00 0.02 0.02) = 7.873% kept HG3 LYS+ 78 - HA PRO 59 5.000% * 7.7040% (0.83 1.00 0.02 0.02) = 7.704% kept HG2 LYS+ 110 - HA PRO 59 5.000% * 5.0619% (0.54 1.00 0.02 0.02) = 5.062% kept HB3 PRO 52 - HA PRO 59 5.000% * 3.7416% (0.40 1.00 0.02 0.02) = 3.742% kept HG2 ARG+ 22 - HA PRO 59 5.000% * 3.4310% (0.37 1.00 0.02 0.02) = 3.431% kept HD3 LYS+ 32 - HA PRO 59 5.000% * 2.5759% (0.28 1.00 0.02 0.02) = 2.576% kept HG LEU 43 - HA VAL 94 5.000% * 1.7521% (0.19 1.00 0.02 0.02) = 1.752% kept HB VAL 122 - HA VAL 94 5.000% * 1.7521% (0.19 1.00 0.02 0.02) = 1.752% kept HB ILE 68 - HA VAL 94 5.000% * 1.7521% (0.19 1.00 0.02 0.02) = 1.752% kept HG LEU 23 - HA VAL 94 5.000% * 1.6947% (0.18 1.00 0.02 0.02) = 1.695% kept HG3 LYS+ 78 - HA VAL 94 5.000% * 1.6210% (0.17 1.00 0.02 0.02) = 1.621% kept HG2 LYS+ 110 - HA VAL 94 5.000% * 1.0651% (0.11 1.00 0.02 0.10) = 1.065% kept HG2 ARG+ 22 - HA VAL 94 5.000% * 0.7219% (0.08 1.00 0.02 0.02) = 0.722% HD3 LYS+ 32 - HA VAL 94 5.000% * 0.5420% (0.06 1.00 0.02 0.02) = 0.542% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 574 (1.41, 4.32, 61.41 ppm): 14 chemical-shift based assignments, quality = 0.193, support = 0.376, residual support = 6.5: HG3 ARG+ 22 - HA ILE 29 7.143% * 31.0196% (0.18 0.60 20.80) = 31.020% kept HD3 LYS+ 20 - HA ILE 29 7.143% * 23.4742% (0.20 0.42 0.13) = 23.474% kept QB ALA 91 - HA ILE 29 7.143% * 11.3392% (0.27 0.15 0.11) = 11.339% kept HG LEU 90 - HA ILE 29 7.143% * 10.9938% (0.08 0.46 0.02) = 10.994% kept HG13 ILE 68 - HA ILE 29 7.143% * 5.9397% (0.07 0.32 0.02) = 5.940% kept HD3 LYS+ 113 - HA ILE 29 7.143% * 4.4328% (0.20 0.08 0.02) = 4.433% kept QB ALA 37 - HA ILE 29 7.143% * 2.1136% (0.37 0.02 0.02) = 2.114% kept HG LEU 67 - HA ILE 29 7.143% * 1.9124% (0.34 0.02 0.02) = 1.912% kept QB ALA 93 - HA ILE 29 7.143% * 1.8497% (0.33 0.02 0.02) = 1.850% kept HG13 ILE 100 - HA ILE 29 7.143% * 1.8497% (0.33 0.02 0.02) = 1.850% kept HD3 LYS+ 44 - HA ILE 29 7.143% * 1.7812% (0.31 0.02 0.02) = 1.781% kept QG2 THR 38 - HA ILE 29 7.143% * 1.3795% (0.24 0.02 0.02) = 1.379% kept HG3 LYS+ 55 - HA ILE 29 7.143% * 1.0380% (0.18 0.02 0.02) = 1.038% kept HG3 LYS+ 113 - HA ILE 29 7.143% * 0.8767% (0.15 0.02 0.02) = 0.877% Peak 575 (1.32, 1.16, 19.85 ppm): 4 chemical-shift based assignments, quality = 0.166, support = 1.21, residual support = 1.96: HB2 ARG+ 22 - QB ALA 33 25.000% * 57.2655% (0.17 1.58 3.29) = 57.266% kept QG2 THR 46 - QB ALA 33 25.000% * 32.6811% (0.19 0.78 0.22) = 32.681% kept QB ALA 103 - QB ALA 33 25.000% * 9.8213% (0.10 0.45 0.02) = 9.821% kept HB2 LYS+ 55 - QB ALA 33 25.000% * 0.2321% (0.05 0.02 0.02) = 0.232% Not enough quality. Peak unassigned. Peak 576 (1.23, 1.23, 19.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 577 (1.15, 1.14, 19.89 ppm): 1 diagonal assignment: * QB ALA 33 - QB ALA 33 (0.31) kept Peak 578 (1.03, 1.02, 20.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 579 (0.86, 1.15, 19.88 ppm): 6 chemical-shift based assignments, quality = 0.248, support = 0.0766, residual support = 0.02: QG2 ILE 100 - QB ALA 33 16.667% * 68.4643% (0.28 0.10 0.02) = 68.464% kept QD1 LEU 90 - QB ALA 33 16.667% * 13.3752% (0.28 0.02 0.02) = 13.375% kept QG2 VAL 125 - QB ALA 33 16.667% * 7.0370% (0.15 0.02 0.02) = 7.037% kept QG2 VAL 13 - QB ALA 33 16.667% * 5.4987% (0.11 0.02 0.02) = 5.499% kept QG1 VAL 80 - QB ALA 33 16.667% * 2.9778% (0.06 0.02 0.02) = 2.978% kept HG2 LYS+ 117 - QB ALA 33 16.667% * 2.6469% (0.06 0.02 0.02) = 2.647% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 581 (0.75, 3.52, 61.28 ppm): 6 chemical-shift based assignments, quality = 0.625, support = 3.39, residual support = 51.9: * O HG3 LYS+ 44 - HA LYS+ 44 16.667% * 92.0229% (0.64 10.0 3.56 56.31) = 92.023% kept QG2 ILE 48 - HA LYS+ 44 16.667% * 5.3649% (0.39 1.0 1.93 0.51) = 5.365% kept QD1 ILE 68 - HA LYS+ 44 16.667% * 1.5142% (0.32 1.0 0.66 0.17) = 1.514% kept HG3 LYS+ 66 - HA LYS+ 44 16.667% * 1.0016% (0.64 1.0 0.22 0.24) = 1.002% kept QG2 VAL 65 - HA LYS+ 44 16.667% * 0.0551% (0.39 1.0 0.02 0.02) = 0.055% QG1 VAL 40 - HA LYS+ 44 16.667% * 0.0413% (0.29 1.0 0.02 0.30) = 0.041% Peak 582 (0.74, 1.15, 20.06 ppm): 8 chemical-shift based assignments, quality = 0.471, support = 1.11, residual support = 0.592: QG2 ILE 48 - QB ALA 33 12.500% * 40.6086% (0.39 1.93 1.25) = 40.609% kept QG2 ILE 101 - QB ALA 33 12.500% * 13.6204% (0.20 1.24 0.23) = 13.620% kept HG3 LYS+ 66 - QB ALA 33 12.500% * 13.2189% (0.73 0.34 0.02) = 13.219% kept QG1 VAL 40 - QB ALA 33 12.500% * 11.7737% (0.51 0.43 0.38) = 11.774% kept HG3 LYS+ 44 - QB ALA 33 12.500% * 10.8663% (0.73 0.28 0.02) = 10.866% kept QD1 ILE 68 - QB ALA 33 12.500% * 9.0493% (0.54 0.31 0.02) = 9.049% kept QG2 VAL 65 - QB ALA 33 12.500% * 0.6404% (0.60 0.02 0.02) = 0.640% HG LEU 74 - QB ALA 33 12.500% * 0.2224% (0.21 0.02 0.02) = 0.222% Peak 584 (0.70, 0.70, 19.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 585 (8.34, 4.13, 61.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 586 (8.24, 1.35, 19.51 ppm): 10 chemical-shift based assignments, quality = 0.323, support = 1.63, residual support = 4.15: O HN ALA 11 - QB ALA 11 10.000% * 57.0384% (0.10 10.0 1.61 5.61) = 57.038% kept * HN GLU- 12 - QB ALA 11 10.000% * 40.3917% (0.66 1.0 1.76 2.35) = 40.392% kept HN LEU 67 - QB ALA 11 10.000% * 0.4511% (0.64 1.0 0.02 0.02) = 0.451% HN LYS+ 81 - QB ALA 11 10.000% * 0.4511% (0.64 1.0 0.02 0.02) = 0.451% HN GLY 58 - QB ALA 11 10.000% * 0.4248% (0.61 1.0 0.02 0.02) = 0.425% HN SER 49 - QB ALA 11 10.000% * 0.3685% (0.53 1.0 0.02 0.24) = 0.368% HN THR 106 - QB ALA 11 10.000% * 0.3341% (0.48 1.0 0.02 0.02) = 0.334% HN ASP- 115 - QB ALA 11 10.000% * 0.2977% (0.42 1.0 0.02 0.02) = 0.298% HN VAL 94 - QB ALA 11 10.000% * 0.1279% (0.18 1.0 0.02 0.02) = 0.128% HN VAL 105 - QB ALA 11 10.000% * 0.1147% (0.16 1.0 0.02 0.02) = 0.115% Peak 587 (4.26, 1.35, 19.48 ppm): 21 chemical-shift based assignments, quality = 0.509, support = 1.43, residual support = 5.24: * O HA ALA 11 - QB ALA 11 4.762% * 89.7521% (0.54 10.0 1.40 5.61) = 89.752% kept HA GLU- 10 - QB ALA 11 4.762% * 6.9344% (0.25 1.0 2.36 2.95) = 6.934% kept HA LEU 90 - QB ALA 11 4.762% * 1.7701% (0.19 1.0 0.80 0.02) = 1.770% kept HA GLU- 75 - QB ALA 11 4.762% * 0.1382% (0.59 1.0 0.02 0.02) = 0.138% HA GLU- 107 - QB ALA 11 4.762% * 0.1382% (0.59 1.0 0.02 0.02) = 0.138% HA ASN 119 - QB ALA 11 4.762% * 0.1382% (0.59 1.0 0.02 0.02) = 0.138% HA GLU- 64 - QB ALA 11 4.762% * 0.1354% (0.57 1.0 0.02 0.02) = 0.135% HA ASN 76 - QB ALA 11 4.762% * 0.1354% (0.57 1.0 0.02 0.02) = 0.135% HA GLU- 56 - QB ALA 11 4.762% * 0.1196% (0.51 1.0 0.02 0.02) = 0.120% HA PRO 59 - QB ALA 11 4.762% * 0.0983% (0.42 1.0 0.02 0.02) = 0.098% HA SER 85 - QB ALA 11 4.762% * 0.0868% (0.37 1.0 0.02 0.02) = 0.087% HA ARG+ 84 - QB ALA 11 4.762% * 0.0868% (0.37 1.0 0.02 0.02) = 0.087% HA PRO 52 - QB ALA 11 4.762% * 0.0868% (0.37 1.0 0.02 0.02) = 0.087% HA VAL 94 - QB ALA 11 4.762% * 0.0811% (0.34 1.0 0.02 0.02) = 0.081% HA GLU- 54 - QB ALA 11 4.762% * 0.0589% (0.25 1.0 0.02 0.02) = 0.059% HA LYS+ 108 - QB ALA 11 4.762% * 0.0589% (0.25 1.0 0.02 0.02) = 0.059% HA VAL 122 - QB ALA 11 4.762% * 0.0537% (0.23 1.0 0.02 0.02) = 0.054% HB3 SER 49 - QB ALA 11 4.762% * 0.0379% (0.16 1.0 0.02 0.24) = 0.038% HA ALA 42 - QB ALA 11 4.762% * 0.0357% (0.15 1.0 0.02 0.02) = 0.036% HA SER 49 - QB ALA 11 4.762% * 0.0283% (0.12 1.0 0.02 0.24) = 0.028% HB3 CYS 121 - QB ALA 11 4.762% * 0.0251% (0.11 1.0 0.02 0.02) = 0.025% Peak 588 (4.13, 4.13, 60.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 608 (1.38, 4.28, 61.15 ppm): 11 chemical-shift based assignments, quality = 0.061, support = 0.108, residual support = 0.0293: HB3 LYS+ 20 - HA PRO 59 9.091% * 34.6393% (0.06 0.17 0.02) = 34.639% kept QG2 THR 39 - HA PRO 59 9.091% * 26.1483% (0.08 0.09 0.02) = 26.148% kept HG3 LYS+ 81 - HA PRO 59 9.091% * 15.3723% (0.03 0.13 0.02) = 15.372% kept HG2 LYS+ 78 - HA PRO 59 9.091% * 5.5308% (0.08 0.02 0.02) = 5.531% kept HG13 ILE 68 - HA PRO 59 9.091% * 5.0604% (0.07 0.02 0.21) = 5.060% kept QB ALA 11 - HA PRO 59 9.091% * 4.3122% (0.06 0.02 0.02) = 4.312% kept HB3 LEU 17 - HA PRO 59 9.091% * 2.9687% (0.04 0.02 0.02) = 2.969% kept HD3 LYS+ 20 - HA PRO 59 9.091% * 2.7465% (0.04 0.02 0.02) = 2.747% kept QB ALA 93 - HA PRO 59 9.091% * 1.1167% (0.02 0.02 0.02) = 1.117% kept HG13 ILE 100 - HA PRO 59 9.091% * 1.1167% (0.02 0.02 0.02) = 1.117% kept HG LEU 67 - HA PRO 59 9.091% * 0.9882% (0.01 0.02 0.80) = 0.988% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 610 (1.40, 4.20, 61.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 614 (1.36, 1.36, 19.50 ppm): 1 diagonal assignment: * QB ALA 11 - QB ALA 11 (0.63) kept Peak 637 (0.96, 0.96, 19.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 641 (0.83, 4.13, 61.02 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 652 (0.55, 0.94, 61.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 660 (9.67, 4.27, 60.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 673 (8.47, 1.37, 18.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN GLY 92 - QB ALA 91 Peak unassigned. Peak 674 (8.29, 1.37, 18.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN ALA 91 - QB ALA 91 Peak unassigned. Peak 675 (7.77, 1.43, 18.94 ppm): 5 chemical-shift based assignments, quality = 0.779, support = 0.591, residual support = 0.611: HN ALA 37 - QB ALA 91 20.000% * 82.8700% (0.79 0.70 0.73) = 82.870% kept HN SER 124 - QB ALA 91 20.000% * 12.7311% (0.82 0.10 0.02) = 12.731% kept HN VAL 125 - QB ALA 91 20.000% * 2.2705% (0.75 0.02 0.02) = 2.270% kept HN THR 46 - QB ALA 91 20.000% * 1.1150% (0.37 0.02 0.02) = 1.115% kept HN VAL 87 - QB ALA 91 20.000% * 1.0134% (0.33 0.02 0.02) = 1.013% kept Peak 676 (4.42, 4.26, 60.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 677 (4.39, 1.43, 18.95 ppm): 15 chemical-shift based assignments, quality = 0.823, support = 1.04, residual support = 0.703: O HA ALA 91 - QB ALA 91 6.667% * 53.6315% (0.93 10.0 1.00 1.00 0.69) = 53.631% kept T HA ALA 37 - QB ALA 91 6.667% * 45.5128% (0.71 1.0 10.00 1.11 0.73) = 45.513% kept HA SER 88 - QB ALA 91 6.667% * 0.1124% (0.97 1.0 1.00 0.02 0.02) = 0.112% HA ASN 57 - QB ALA 91 6.667% * 0.0984% (0.85 1.0 1.00 0.02 0.02) = 0.098% HA THR 95 - QB ALA 91 6.667% * 0.0947% (0.82 1.0 1.00 0.02 0.02) = 0.095% HA SER 27 - QB ALA 91 6.667% * 0.0867% (0.75 1.0 1.00 0.02 0.02) = 0.087% HA PRO 104 - QB ALA 91 6.667% * 0.0823% (0.71 1.0 1.00 0.02 0.02) = 0.082% HA LYS+ 60 - QB ALA 91 6.667% * 0.0688% (0.60 1.0 1.00 0.02 0.02) = 0.069% HA TRP 51 - QB ALA 91 6.667% * 0.0642% (0.56 1.0 1.00 0.02 0.02) = 0.064% HA PRO 112 - QB ALA 91 6.667% * 0.0597% (0.52 1.0 1.00 0.02 0.02) = 0.060% HA PRO 116 - QB ALA 91 6.667% * 0.0508% (0.44 1.0 1.00 0.02 0.02) = 0.051% HA PRO 86 - QB ALA 91 6.667% * 0.0426% (0.37 1.0 1.00 0.02 0.02) = 0.043% HB THR 61 - QB ALA 91 6.667% * 0.0387% (0.34 1.0 1.00 0.02 0.02) = 0.039% HA2 GLY 26 - QB ALA 91 6.667% * 0.0283% (0.25 1.0 1.00 0.02 0.02) = 0.028% HA HIS+ 14 - QB ALA 91 6.667% * 0.0283% (0.25 1.0 1.00 0.02 0.02) = 0.028% Peak 678 (4.26, 4.25, 60.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 679 (4.24, 1.37, 18.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA ALA 91 - QB ALA 91 Peak unassigned. Peak 680 (4.08, 4.26, 60.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 689 (1.46, 4.38, 60.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 690 (1.37, 4.34, 60.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 691 (1.42, 1.42, 19.01 ppm): 1 diagonal assignment: QB ALA 91 - QB ALA 91 (0.98) kept Peak 698 (8.60, 1.56, 18.49 ppm): 4 chemical-shift based assignments, quality = 0.643, support = 2.7, residual support = 8.48: * HN THR 39 - QB ALA 42 25.000% * 95.0256% (0.64 2.84 8.92) = 95.026% kept HN VAL 80 - QB ALA 42 25.000% * 3.4848% (0.60 0.11 0.02) = 3.485% kept HN LYS+ 20 - QB ALA 42 25.000% * 1.0256% (0.99 0.02 0.02) = 1.026% kept HN VAL 73 - QB ALA 42 25.000% * 0.4639% (0.45 0.02 0.02) = 0.464% Peak 699 (8.00, 1.56, 18.43 ppm): 4 chemical-shift based assignments, quality = 0.709, support = 4.67, residual support = 17.6: * HN LEU 43 - QB ALA 42 25.000% * 81.5094% (0.71 5.59 21.63) = 81.509% kept HN MET 126 - QB ALA 42 25.000% * 8.7268% (0.92 0.46 0.02) = 8.727% kept HN SER 27 - QB ALA 42 25.000% * 8.5984% (0.51 0.81 0.02) = 8.598% kept HN LYS+ 111 - QB ALA 42 25.000% * 1.1654% (0.51 0.11 0.02) = 1.165% kept Peak 700 (7.74, 1.56, 18.48 ppm): 4 chemical-shift based assignments, quality = 0.642, support = 3.49, residual support = 18.0: * O HN ALA 42 - QB ALA 42 25.000% * 95.2570% (0.64 10.0 3.63 18.89) = 95.257% kept HN ALA 37 - QB ALA 42 25.000% * 4.1632% (0.72 1.0 0.78 0.02) = 4.163% kept HN VAL 125 - QB ALA 42 25.000% * 0.4787% (0.76 1.0 0.09 0.02) = 0.479% HN SER 124 - QB ALA 42 25.000% * 0.1011% (0.68 1.0 0.02 0.02) = 0.101% Peak 701 (4.23, 1.56, 18.49 ppm): 16 chemical-shift based assignments, quality = 0.981, support = 2.95, residual support = 18.7: * O T HA ALA 42 - QB ALA 42 6.250% * 99.1239% (0.99 10.0 10.00 2.98 18.89) = 99.124% kept HA SER 49 - QB ALA 42 6.250% * 0.0974% (0.97 1.0 1.00 0.02 0.02) = 0.097% HA GLU- 54 - QB ALA 42 6.250% * 0.0959% (0.96 1.0 1.00 0.02 0.02) = 0.096% HA GLU- 10 - QB ALA 42 6.250% * 0.0959% (0.96 1.0 1.00 0.02 0.02) = 0.096% HA LYS+ 108 - QB ALA 42 6.250% * 0.0959% (0.96 1.0 1.00 0.02 0.02) = 0.096% HA GLU- 109 - QB ALA 42 6.250% * 0.0862% (0.86 1.0 1.00 0.02 0.02) = 0.086% HA PRO 59 - QB ALA 42 6.250% * 0.0759% (0.76 1.0 1.00 0.02 0.02) = 0.076% HA GLU- 12 - QB ALA 42 6.250% * 0.0562% (0.56 1.0 1.00 0.02 0.02) = 0.056% HA ALA 11 - QB ALA 42 6.250% * 0.0523% (0.52 1.0 1.00 0.02 0.02) = 0.052% HA ASN 76 - QB ALA 42 6.250% * 0.0445% (0.44 1.0 1.00 0.02 0.02) = 0.045% HB3 SER 49 - QB ALA 42 6.250% * 0.0441% (0.44 1.0 1.00 0.02 0.02) = 0.044% HA GLU- 107 - QB ALA 42 6.250% * 0.0408% (0.41 1.0 1.00 0.02 0.02) = 0.041% HA ASN 119 - QB ALA 42 6.250% * 0.0408% (0.41 1.0 1.00 0.02 0.02) = 0.041% HA GLU- 75 - QB ALA 42 6.250% * 0.0174% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA ASP- 82 - QB ALA 42 6.250% * 0.0174% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA GLU- 64 - QB ALA 42 6.250% * 0.0153% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 702 (4.03, 1.56, 18.52 ppm): 6 chemical-shift based assignments, quality = 0.249, support = 1.44, residual support = 4.72: HA THR 38 - QB ALA 42 16.667% * 46.3646% (0.30 1.45 5.56) = 46.365% kept HB THR 38 - QB ALA 42 16.667% * 36.8191% (0.19 1.80 5.56) = 36.819% kept HB THR 95 - QB ALA 42 16.667% * 13.6040% (0.17 0.75 0.66) = 13.604% kept HA VAL 13 - QB ALA 42 16.667% * 1.4229% (0.66 0.02 0.02) = 1.423% kept HB3 SER 85 - QB ALA 42 16.667% * 1.3400% (0.62 0.02 0.02) = 1.340% kept HB3 SER 49 - QB ALA 42 16.667% * 0.4494% (0.21 0.02 0.02) = 0.449% Peak 705 (1.56, 1.56, 18.48 ppm): 1 diagonal assignment: * QB ALA 42 - QB ALA 42 (0.99) kept Peak 707 (1.37, 4.22, 18.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 710 (1.07, 1.56, 18.56 ppm): 1 chemical-shift based assignment, quality = 0.596, support = 0.494, residual support = 0.66: QG2 THR 95 - QB ALA 42 100.000% *100.0000% (0.60 0.49 0.66) = 100.000% kept Peak 712 (0.93, 1.56, 18.58 ppm): 14 chemical-shift based assignments, quality = 0.552, support = 0.555, residual support = 0.0873: QG2 VAL 80 - QB ALA 42 7.143% * 25.7247% (0.80 0.45 0.02) = 25.725% kept HG3 LYS+ 110 - QB ALA 42 7.143% * 21.4325% (0.84 0.36 0.34) = 21.432% kept QG2 VAL 40 - QB ALA 42 7.143% * 15.7663% (0.17 1.32 0.02) = 15.766% kept QD1 LEU 67 - QB ALA 42 7.143% * 13.6415% (0.26 0.73 0.02) = 13.642% kept HG3 LYS+ 117 - QB ALA 42 7.143% * 8.9185% (0.32 0.39 0.02) = 8.918% kept HG12 ILE 68 - QB ALA 42 7.143% * 5.0153% (0.85 0.08 0.02) = 5.015% kept QG1 VAL 47 - QB ALA 42 7.143% * 4.6690% (0.21 0.31 0.02) = 4.669% kept QG2 VAL 105 - QB ALA 42 7.143% * 1.0833% (0.76 0.02 0.02) = 1.083% kept QD1 LEU 17 - QB ALA 42 7.143% * 1.0477% (0.73 0.02 0.02) = 1.048% kept QG1 VAL 105 - QB ALA 42 7.143% * 1.0089% (0.71 0.02 0.02) = 1.009% kept QG2 VAL 62 - QB ALA 42 7.143% * 0.5879% (0.41 0.02 0.02) = 0.588% QG2 VAL 73 - QB ALA 42 7.143% * 0.4533% (0.32 0.02 0.02) = 0.453% QG2 ILE 29 - QB ALA 42 7.143% * 0.4120% (0.29 0.02 0.02) = 0.412% QG2 VAL 87 - QB ALA 42 7.143% * 0.2390% (0.17 0.02 0.02) = 0.239% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 715 (0.39, 3.87, 59.82 ppm): 2 chemical-shift based assignments, quality = 0.861, support = 3.11, residual support = 9.31: T QD1 ILE 48 - HA GLU- 45 50.000% * 87.6846% (0.86 10.00 3.15 9.31) = 87.685% kept * HG12 ILE 48 - HA GLU- 45 50.000% * 12.3154% (0.86 1.00 2.81 9.31) = 12.315% kept Peak 716 (8.37, 1.31, 18.21 ppm): 4 chemical-shift based assignments, quality = 0.577, support = 2.68, residual support = 7.91: * O HN ALA 103 - QB ALA 103 25.000% * 99.6069% (0.58 10.0 2.69 7.94) = 99.607% kept HN GLY 71 - QB ALA 103 25.000% * 0.1642% (0.95 1.0 0.02 0.02) = 0.164% HN LYS+ 108 - QB ALA 103 25.000% * 0.1425% (0.83 1.0 0.02 0.02) = 0.142% HN GLU- 109 - QB ALA 103 25.000% * 0.0864% (0.50 1.0 0.02 0.02) = 0.086% Peak 717 (8.23, 3.87, 59.76 ppm): 11 chemical-shift based assignments, quality = 0.58, support = 4.1, residual support = 43.5: * O HN GLU- 45 - HA GLU- 45 9.091% * 57.3643% (0.37 10.0 5.69 73.84) = 57.364% kept HN SER 49 - HA GLU- 45 9.091% * 22.7156% (1.00 1.0 2.97 4.72) = 22.716% kept HN LYS+ 81 - HA GLU- 45 9.091% * 5.7796% (0.89 1.0 0.84 0.23) = 5.780% kept HN ALA 11 - HA GLU- 45 9.091% * 4.2075% (0.45 1.0 1.23 0.88) = 4.208% kept HN LEU 67 - HA GLU- 45 9.091% * 3.9749% (0.89 1.0 0.58 0.02) = 3.975% kept HN VAL 105 - HA GLU- 45 9.091% * 3.5616% (0.60 1.0 0.77 0.32) = 3.562% kept HN GLU- 12 - HA GLU- 45 9.091% * 1.4778% (0.80 1.0 0.24 0.02) = 1.478% kept HN GLY 58 - HA GLU- 45 9.091% * 0.7251% (0.96 1.0 0.10 0.02) = 0.725% HN VAL 94 - HA GLU- 45 9.091% * 0.0989% (0.64 1.0 0.02 0.02) = 0.099% HN THR 106 - HA GLU- 45 9.091% * 0.0521% (0.34 1.0 0.02 0.02) = 0.052% HN ASP- 115 - HA GLU- 45 9.091% * 0.0425% (0.28 1.0 0.02 0.02) = 0.042% Peak 718 (8.26, 3.69, 59.69 ppm): 9 chemical-shift based assignments, quality = 0.513, support = 4.16, residual support = 34.7: * O HN LYS+ 81 - HA LYS+ 81 11.111% * 65.8769% (0.39 10.0 5.02 51.89) = 65.877% kept HN THR 106 - HA LYS+ 81 11.111% * 23.0587% (0.84 1.0 3.25 2.05) = 23.059% kept HN GLU- 12 - HA LYS+ 81 11.111% * 5.6871% (0.49 1.0 1.37 0.24) = 5.687% kept HN ASP- 115 - HA LYS+ 81 11.111% * 3.7419% (0.87 1.0 0.51 0.02) = 3.742% kept HN GLY 58 - HA LYS+ 81 11.111% * 0.8225% (0.30 1.0 0.33 0.02) = 0.823% HN ASP- 28 - HA LYS+ 81 11.111% * 0.3629% (0.13 1.0 0.32 0.02) = 0.363% HN ASN 89 - HA LYS+ 81 11.111% * 0.3514% (0.39 1.0 0.11 0.02) = 0.351% HN LEU 67 - HA LYS+ 81 11.111% * 0.0659% (0.39 1.0 0.02 0.02) = 0.066% HN SER 49 - HA LYS+ 81 11.111% * 0.0327% (0.19 1.0 0.02 0.02) = 0.033% Peak 719 (4.53, 1.30, 18.21 ppm): 5 chemical-shift based assignments, quality = 0.93, support = 2.78, residual support = 7.85: * O HA ALA 103 - QB ALA 103 20.000% * 98.8742% (0.93 10.0 2.81 7.94) = 98.874% kept HB THR 46 - QB ALA 103 20.000% * 1.0170% (0.63 1.0 0.31 0.31) = 1.017% kept HA LEU 17 - QB ALA 103 20.000% * 0.0580% (0.55 1.0 0.02 0.02) = 0.058% HA LYS+ 55 - QB ALA 103 20.000% * 0.0349% (0.33 1.0 0.02 0.02) = 0.035% HB THR 79 - QB ALA 103 20.000% * 0.0158% (0.15 1.0 0.02 0.02) = 0.016% Peak 722 (3.87, 3.87, 59.81 ppm): 1 diagonal assignment: * HA GLU- 45 - HA GLU- 45 (0.95) kept Peak 723 (3.76, 1.30, 18.20 ppm): 2 chemical-shift based assignments, quality = 0.752, support = 3.38, residual support = 11.1: * T HD3 PRO 104 - QB ALA 103 50.000% * 99.9414% (0.75 10.00 3.38 11.06) = 99.941% kept HA LEU 43 - QB ALA 103 50.000% * 0.0586% (0.44 1.00 0.02 0.02) = 0.059% Peak 724 (3.70, 3.69, 59.64 ppm): 1 diagonal assignment: * HA LYS+ 81 - HA LYS+ 81 (0.94) kept Peak 725 (3.61, 1.31, 18.21 ppm): 2 chemical-shift based assignments, quality = 0.426, support = 1.87, residual support = 5.32: T HD2 PRO 112 - QB ALA 103 50.000% * 54.5341% (0.58 10.00 0.99 0.53) = 54.534% kept * T HD2 PRO 104 - QB ALA 103 50.000% * 45.4659% (0.24 10.00 2.93 11.06) = 45.466% kept Peak 726 (2.05, 3.87, 59.76 ppm): 14 chemical-shift based assignments, quality = 0.972, support = 4.73, residual support = 69.8: * O HB2 GLU- 45 - HA GLU- 45 7.143% * 94.5248% (0.99 10.0 4.97 73.84) = 94.525% kept HB3 GLU- 75 - HA GLU- 45 7.143% * 2.0669% (0.70 1.0 0.61 0.11) = 2.067% kept HG2 PRO 112 - HA GLU- 45 7.143% * 1.9959% (0.68 1.0 0.61 0.28) = 1.996% kept HG3 PRO 86 - HA GLU- 45 7.143% * 1.0850% (0.99 1.0 0.23 0.02) = 1.085% kept HB3 LYS+ 110 - HA GLU- 45 7.143% * 0.0729% (0.76 1.0 0.02 0.11) = 0.073% HG3 GLU- 64 - HA GLU- 45 7.143% * 0.0428% (0.45 1.0 0.02 0.02) = 0.043% HB3 GLU- 54 - HA GLU- 45 7.143% * 0.0392% (0.41 1.0 0.02 0.02) = 0.039% HB VAL 62 - HA GLU- 45 7.143% * 0.0358% (0.37 1.0 0.02 0.50) = 0.036% HB3 GLU- 10 - HA GLU- 45 7.143% * 0.0294% (0.31 1.0 0.02 0.85) = 0.029% HB3 GLU- 64 - HA GLU- 45 7.143% * 0.0294% (0.31 1.0 0.02 0.02) = 0.029% HB ILE 101 - HA GLU- 45 7.143% * 0.0265% (0.28 1.0 0.02 0.02) = 0.027% HB3 PRO 31 - HA GLU- 45 7.143% * 0.0238% (0.25 1.0 0.02 0.02) = 0.024% HB3 LYS+ 120 - HA GLU- 45 7.143% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% HB3 GLU- 107 - HA GLU- 45 7.143% * 0.0129% (0.13 1.0 0.02 0.02) = 0.013% Peak 727 (1.78, 1.29, 59.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 728 (1.67, 3.69, 59.64 ppm): 9 chemical-shift based assignments, quality = 0.786, support = 3.47, residual support = 35.5: * O T HB3 LYS+ 81 - HA LYS+ 81 11.111% * 63.3686% (0.94 10.0 10.00 3.99 51.89) = 63.369% kept T HG3 ARG+ 84 - HA LYS+ 81 11.111% * 35.9562% (0.53 1.0 10.00 2.60 7.16) = 35.956% kept T HG2 PRO 52 - HA LYS+ 81 11.111% * 0.3596% (0.53 1.0 10.00 0.02 0.02) = 0.360% HB3 MET 126 - HA LYS+ 81 11.111% * 0.0601% (0.89 1.0 1.00 0.02 0.02) = 0.060% HB3 MET 97 - HA LYS+ 81 11.111% * 0.0570% (0.84 1.0 1.00 0.02 0.02) = 0.057% HD3 LYS+ 55 - HA LYS+ 81 11.111% * 0.0530% (0.79 1.0 1.00 0.02 0.02) = 0.053% HB ILE 100 - HA LYS+ 81 11.111% * 0.0509% (0.75 1.0 1.00 0.02 0.02) = 0.051% HB3 LYS+ 66 - HA LYS+ 81 11.111% * 0.0485% (0.72 1.0 1.00 0.02 0.02) = 0.049% HG13 ILE 19 - HA LYS+ 81 11.111% * 0.0461% (0.68 1.0 1.00 0.02 0.02) = 0.046% Peak 731 (1.60, 1.33, 59.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 733 (1.32, 3.69, 59.61 ppm): 4 chemical-shift based assignments, quality = 0.886, support = 1.83, residual support = 2.89: QG2 THR 46 - HA LYS+ 81 25.000% * 81.5438% (0.93 2.14 3.54) = 81.544% kept HB2 ARG+ 22 - HA LYS+ 81 25.000% * 14.5670% (0.78 0.46 0.02) = 14.567% kept HB2 LYS+ 55 - HA LYS+ 81 25.000% * 3.4586% (0.29 0.29 0.02) = 3.459% kept QB ALA 103 - HA LYS+ 81 25.000% * 0.4306% (0.53 0.02 0.02) = 0.431% Reference assignment not found: HG3 LYS+ 81 - HA LYS+ 81 Peak 734 (1.31, 1.31, 18.21 ppm): 1 diagonal assignment: * QB ALA 103 - QB ALA 103 (0.72) kept Peak 746 (8.91, 0.71, 17.81 ppm): 6 chemical-shift based assignments, quality = 0.793, support = 4.07, residual support = 24.7: * HN GLN 102 - QG2 ILE 101 16.667% * 95.9890% (0.82 4.21 25.72) = 95.989% kept HN PHE 21 - QG2 ILE 101 16.667% * 2.0493% (0.15 0.49 0.02) = 2.049% kept HN ASP- 36 - QG2 ILE 68 16.667% * 1.4484% (0.05 1.02 0.69) = 1.448% kept HN ASP- 36 - QG2 ILE 101 16.667% * 0.2773% (0.12 0.09 0.02) = 0.277% HN GLN 102 - QG2 ILE 68 16.667% * 0.1992% (0.36 0.02 0.02) = 0.199% HN PHE 21 - QG2 ILE 68 16.667% * 0.0369% (0.07 0.02 0.94) = 0.037% Peak 747 (8.83, 0.68, 17.95 ppm): 6 chemical-shift based assignments, quality = 0.669, support = 0.506, residual support = 0.388: HN LYS+ 60 - QG2 ILE 68 16.667% * 37.6215% (0.88 0.45 0.02) = 37.622% kept HN LYS+ 32 - QG2 ILE 101 16.667% * 36.1108% (0.52 0.73 1.04) = 36.111% kept HN LYS+ 60 - QG2 ILE 101 16.667% * 19.4541% (0.58 0.35 0.02) = 19.454% kept HN ASN 57 - QG2 ILE 101 16.667% * 3.9757% (0.46 0.09 0.02) = 3.976% kept HN LYS+ 32 - QG2 ILE 68 16.667% * 1.4993% (0.79 0.02 0.02) = 1.499% kept HN ASN 57 - QG2 ILE 68 16.667% * 1.3387% (0.70 0.02 0.02) = 1.339% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 748 (8.75, 0.86, 17.86 ppm): 4 chemical-shift based assignments, quality = 0.339, support = 3.6, residual support = 15.0: * HN ILE 101 - QG2 ILE 100 25.000% * 77.6861% (0.34 4.50 19.24) = 77.686% kept HN VAL 62 - QG2 ILE 100 25.000% * 9.7881% (0.37 0.52 0.13) = 9.788% kept HN GLU- 56 - QG2 ILE 100 25.000% * 8.1610% (0.32 0.50 0.02) = 8.161% kept HN PHE 34 - QG2 ILE 100 25.000% * 4.3648% (0.29 0.30 0.02) = 4.365% kept Peak 749 (8.39, 0.68, 17.95 ppm): 4 chemical-shift based assignments, quality = 0.333, support = 1.55, residual support = 2.16: * HN GLY 71 - QG2 ILE 68 25.000% * 56.8823% (0.42 1.70 2.95) = 56.882% kept HN GLY 71 - QG2 ILE 101 25.000% * 29.9244% (0.27 1.38 1.48) = 29.924% kept HN LYS+ 108 - QG2 ILE 101 25.000% * 12.8877% (0.12 1.30 0.27) = 12.888% kept HN LYS+ 108 - QG2 ILE 68 25.000% * 0.3056% (0.19 0.02 0.02) = 0.306% Peak 750 (8.09, 4.37, 59.12 ppm): 12 chemical-shift based assignments, quality = 0.259, support = 3.24, residual support = 12.1: * O HN SER 88 - HA SER 88 8.333% * 89.7489% (0.26 10.0 3.45 12.96) = 89.749% kept HN GLY 26 - HA SER 27 8.333% * 6.2367% (0.15 1.0 2.37 6.98) = 6.237% kept HN VAL 122 - HA SER 88 8.333% * 2.3405% (0.80 1.0 0.17 0.02) = 2.340% kept HN VAL 122 - HA SER 27 8.333% * 0.2897% (0.83 1.0 0.02 0.02) = 0.290% HN LYS+ 110 - HA SER 27 8.333% * 0.2180% (0.62 1.0 0.02 0.02) = 0.218% HN CYS 121 - HA SER 27 8.333% * 0.2180% (0.62 1.0 0.02 0.02) = 0.218% HN CYS 121 - HA SER 88 8.333% * 0.2112% (0.60 1.0 0.02 0.02) = 0.211% HN LYS+ 110 - HA SER 88 8.333% * 0.2112% (0.60 1.0 0.02 0.02) = 0.211% HN GLU- 75 - HA SER 27 8.333% * 0.1942% (0.56 1.0 0.02 0.02) = 0.194% HN GLU- 75 - HA SER 88 8.333% * 0.1881% (0.54 1.0 0.02 0.02) = 0.188% HN SER 88 - HA SER 27 8.333% * 0.0927% (0.27 1.0 0.02 0.02) = 0.093% HN GLY 26 - HA SER 88 8.333% * 0.0509% (0.15 1.0 0.02 0.02) = 0.051% Peak 751 (7.97, 0.67, 17.97 ppm): 4 chemical-shift based assignments, quality = 0.455, support = 2.79, residual support = 1.94: * HN LYS+ 72 - QG2 ILE 68 25.000% * 53.7201% (0.50 3.69 2.90) = 53.720% kept HN LYS+ 72 - QG2 ILE 101 25.000% * 22.4720% (0.31 2.45 1.16) = 22.472% kept HN LEU 43 - QG2 ILE 68 25.000% * 19.3420% (0.53 1.25 0.61) = 19.342% kept HN LEU 43 - QG2 ILE 101 25.000% * 4.4659% (0.33 0.46 0.02) = 4.466% kept Peak 752 (6.96, 4.28, 59.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 753 (4.98, 0.68, 17.96 ppm): 8 chemical-shift based assignments, quality = 0.579, support = 4.17, residual support = 70.0: * O HA ILE 68 - QG2 ILE 68 12.500% * 73.6219% (0.53 10.0 4.91 92.61) = 73.622% kept HA SER 69 - QG2 ILE 68 12.500% * 16.8452% (0.87 1.0 2.80 10.87) = 16.845% kept HA MET 97 - QG2 ILE 68 12.500% * 4.8608% (0.64 1.0 1.10 0.46) = 4.861% kept HA PRO 31 - QG2 ILE 101 12.500% * 2.7393% (0.40 1.0 1.00 0.35) = 2.739% kept HA MET 97 - QG2 ILE 101 12.500% * 0.7076% (0.42 1.0 0.24 0.02) = 0.708% HA ILE 68 - QG2 ILE 101 12.500% * 0.6923% (0.35 1.0 0.29 0.10) = 0.692% HA SER 69 - QG2 ILE 101 12.500% * 0.4496% (0.57 1.0 0.11 0.02) = 0.450% HA PRO 31 - QG2 ILE 68 12.500% * 0.0834% (0.60 1.0 0.02 0.02) = 0.083% Peak 754 (4.93, 0.71, 17.82 ppm): 6 chemical-shift based assignments, quality = 0.683, support = 5.67, residual support = 116.5: * O HA ILE 101 - QG2 ILE 101 16.667% * 90.6269% (0.69 10.0 6.15 128.54) = 90.627% kept HA ALA 33 - QG2 ILE 101 16.667% * 6.6699% (0.79 1.0 1.27 0.23) = 6.670% kept HA HIS+ 98 - QG2 ILE 101 16.667% * 1.8071% (0.43 1.0 0.63 0.11) = 1.807% kept HA ALA 33 - QG2 ILE 68 16.667% * 0.5764% (0.29 1.0 0.30 0.02) = 0.576% HA ILE 101 - QG2 ILE 68 16.667% * 0.2989% (0.25 1.0 0.18 0.10) = 0.299% HA HIS+ 98 - QG2 ILE 68 16.667% * 0.0208% (0.16 1.0 0.02 15.60) = 0.021% Peak 756 (4.54, 4.39, 59.28 ppm): 8 chemical-shift based assignments, quality = 0.514, support = 0.585, residual support = 0.24: HA LEU 17 - HA SER 88 12.500% * 60.5025% (0.65 0.60 0.32) = 60.502% kept HA LEU 17 - HA SER 27 12.500% * 32.8097% (0.33 0.65 0.14) = 32.810% kept HA LYS+ 78 - HA SER 27 12.500% * 3.0393% (0.07 0.27 0.02) = 3.039% kept HA ALA 103 - HA SER 88 12.500% * 1.7217% (0.56 0.02 0.02) = 1.722% kept HA ALA 103 - HA SER 27 12.500% * 0.8570% (0.28 0.02 0.02) = 0.857% HA LYS+ 78 - HA SER 88 12.500% * 0.4589% (0.15 0.02 0.02) = 0.459% HB THR 46 - HA SER 88 12.500% * 0.4079% (0.13 0.02 0.02) = 0.408% HB THR 46 - HA SER 27 12.500% * 0.2030% (0.07 0.02 0.02) = 0.203% Peak 757 (4.47, 0.86, 17.88 ppm): 9 chemical-shift based assignments, quality = 0.378, support = 5.28, residual support = 65.5: * O HA ILE 100 - QG2 ILE 100 11.111% * 96.2252% (0.38 10.0 5.47 68.06) = 96.225% kept HA GLN 102 - QG2 ILE 100 11.111% * 3.4085% (0.38 1.0 0.71 0.14) = 3.408% kept HA MET 126 - QG2 ILE 100 11.111% * 0.0973% (0.38 1.0 0.02 0.02) = 0.097% HA LYS+ 32 - QG2 ILE 100 11.111% * 0.0880% (0.35 1.0 0.02 0.02) = 0.088% HA GLU- 50 - QG2 ILE 100 11.111% * 0.0516% (0.20 1.0 0.02 1.00) = 0.052% HA CYS 123 - QG2 ILE 100 11.111% * 0.0404% (0.16 1.0 0.02 0.02) = 0.040% HA SER 77 - QG2 ILE 100 11.111% * 0.0404% (0.16 1.0 0.02 0.02) = 0.040% HA MET 118 - QG2 ILE 100 11.111% * 0.0335% (0.13 1.0 0.02 0.02) = 0.033% HB THR 79 - QG2 ILE 100 11.111% * 0.0151% (0.06 1.0 0.02 0.02) = 0.015% Peak 758 (4.38, 4.37, 59.27 ppm): 2 diagonal assignments: * HA SER 88 - HA SER 88 (0.52) kept HA SER 27 - HA SER 27 (0.42) kept Peak 759 (4.24, 0.71, 17.84 ppm): 32 chemical-shift based assignments, quality = 0.599, support = 0.74, residual support = 1.53: T HA PRO 59 - QG2 ILE 101 3.125% * 24.0498% (0.82 10.00 0.74 1.80) = 24.050% kept T HA SER 49 - QG2 ILE 101 3.125% * 21.0507% (0.68 10.00 0.78 2.59) = 21.051% kept T HB3 SER 49 - QG2 ILE 101 3.125% * 20.1196% (0.33 10.00 1.54 2.59) = 20.120% kept T HA LYS+ 108 - QG2 ILE 101 3.125% * 10.6806% (0.83 10.00 0.32 0.27) = 10.681% kept T HA GLU- 107 - QG2 ILE 101 3.125% * 9.4173% (0.58 10.00 0.41 0.02) = 9.417% kept T HA GLU- 109 - QG2 ILE 101 3.125% * 4.5307% (0.51 10.00 0.22 0.02) = 4.531% kept T HA ASN 76 - QG2 ILE 101 3.125% * 3.8660% (0.61 10.00 0.16 0.02) = 3.866% kept T HA PRO 59 - QG2 ILE 68 3.125% * 1.4004% (0.31 10.00 0.11 0.21) = 1.400% kept HA GLU- 75 - QG2 ILE 101 3.125% * 0.7800% (0.32 1.00 0.61 1.34) = 0.780% HB3 SER 49 - QG2 ILE 68 3.125% * 0.7398% (0.12 1.00 1.51 1.95) = 0.740% T HA GLU- 10 - QG2 ILE 101 3.125% * 0.6633% (0.83 10.00 0.02 0.02) = 0.663% HA ALA 42 - QG2 ILE 68 3.125% * 0.5022% (0.28 1.00 0.46 0.02) = 0.502% T HA ASN 119 - QG2 ILE 101 3.125% * 0.4648% (0.58 10.00 0.02 0.02) = 0.465% HA GLU- 56 - QG2 ILE 101 3.125% * 0.4613% (0.19 1.00 0.61 1.11) = 0.461% HA GLU- 64 - QG2 ILE 101 3.125% * 0.4182% (0.29 1.00 0.36 0.02) = 0.418% HA ALA 42 - QG2 ILE 101 3.125% * 0.3153% (0.73 1.00 0.11 0.02) = 0.315% T HA SER 49 - QG2 ILE 68 3.125% * 0.2033% (0.25 10.00 0.02 1.95) = 0.203% HA GLU- 54 - QG2 ILE 101 3.125% * 0.0663% (0.83 1.00 0.02 0.02) = 0.066% HA ALA 11 - QG2 ILE 101 3.125% * 0.0542% (0.68 1.00 0.02 0.02) = 0.054% HA GLU- 10 - QG2 ILE 68 3.125% * 0.0249% (0.31 1.00 0.02 0.02) = 0.025% HA LYS+ 108 - QG2 ILE 68 3.125% * 0.0249% (0.31 1.00 0.02 0.02) = 0.025% HA GLU- 54 - QG2 ILE 68 3.125% * 0.0249% (0.31 1.00 0.02 0.02) = 0.025% HA GLU- 12 - QG2 ILE 101 3.125% * 0.0209% (0.26 1.00 0.02 0.02) = 0.021% HA ALA 11 - QG2 ILE 68 3.125% * 0.0203% (0.25 1.00 0.02 0.02) = 0.020% HA ASN 76 - QG2 ILE 68 3.125% * 0.0184% (0.23 1.00 0.02 0.02) = 0.018% HA ASN 119 - QG2 ILE 68 3.125% * 0.0174% (0.22 1.00 0.02 0.54) = 0.017% HA GLU- 107 - QG2 ILE 68 3.125% * 0.0174% (0.22 1.00 0.02 0.02) = 0.017% HA GLU- 109 - QG2 ILE 68 3.125% * 0.0154% (0.19 1.00 0.02 0.02) = 0.015% HA GLU- 75 - QG2 ILE 68 3.125% * 0.0095% (0.12 1.00 0.02 0.02) = 0.010% HA GLU- 64 - QG2 ILE 68 3.125% * 0.0087% (0.11 1.00 0.02 0.02) = 0.009% HA GLU- 12 - QG2 ILE 68 3.125% * 0.0078% (0.10 1.00 0.02 0.02) = 0.008% HA GLU- 56 - QG2 ILE 68 3.125% * 0.0057% (0.07 1.00 0.02 0.02) = 0.006% Peak 760 (4.15, 0.67, 17.97 ppm): 20 chemical-shift based assignments, quality = 0.454, support = 1.55, residual support = 2.52: T HB3 SER 49 - QG2 ILE 101 5.000% * 54.1030% (0.51 10.00 1.54 2.59) = 54.103% kept T HA VAL 65 - QG2 ILE 101 5.000% * 10.8863% (0.08 10.00 2.29 5.60) = 10.886% kept HB3 SER 49 - QG2 ILE 68 5.000% * 8.4327% (0.82 1.00 1.51 1.95) = 8.433% kept * HA2 GLY 71 - QG2 ILE 68 5.000% * 6.8873% (0.50 1.00 2.02 2.95) = 6.887% kept HA VAL 105 - QG2 ILE 68 5.000% * 4.0168% (0.63 1.00 0.94 0.60) = 4.017% kept HA2 GLY 71 - QG2 ILE 101 5.000% * 3.5444% (0.31 1.00 1.66 1.48) = 3.544% kept T HA VAL 73 - QG2 ILE 101 5.000% * 3.3553% (0.10 10.00 0.48 0.02) = 3.355% kept HB THR 106 - QG2 ILE 68 5.000% * 3.0930% (0.63 1.00 0.72 0.02) = 3.093% kept HA VAL 73 - QG2 ILE 68 5.000% * 2.5777% (0.16 1.00 2.32 1.95) = 2.578% kept HA VAL 65 - QG2 ILE 68 5.000% * 1.0154% (0.13 1.00 1.17 1.17) = 1.015% kept T HA VAL 87 - QG2 ILE 101 5.000% * 0.7040% (0.51 10.00 0.02 0.02) = 0.704% T HA VAL 105 - QG2 ILE 101 5.000% * 0.5392% (0.39 10.00 0.02 0.02) = 0.539% HB THR 106 - QG2 ILE 101 5.000% * 0.2869% (0.39 1.00 0.11 0.02) = 0.287% HA LYS+ 110 - QG2 ILE 101 5.000% * 0.1834% (0.27 1.00 0.10 0.77) = 0.183% HA VAL 87 - QG2 ILE 68 5.000% * 0.1120% (0.82 1.00 0.02 0.02) = 0.112% HB2 SER 88 - QG2 ILE 68 5.000% * 0.0937% (0.68 1.00 0.02 0.02) = 0.094% HA LYS+ 110 - QG2 ILE 68 5.000% * 0.0590% (0.43 1.00 0.02 0.02) = 0.059% HB2 SER 88 - QG2 ILE 101 5.000% * 0.0589% (0.43 1.00 0.02 0.02) = 0.059% HA ARG+ 53 - QG2 ILE 68 5.000% * 0.0312% (0.23 1.00 0.02 0.02) = 0.031% HA ARG+ 53 - QG2 ILE 101 5.000% * 0.0196% (0.14 1.00 0.02 0.02) = 0.020% Peak 761 (4.13, 4.34, 17.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 762 (4.05, 3.84, 17.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 763 (3.99, 3.81, 59.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 764 (3.94, 3.79, 59.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 765 (3.82, 3.82, 59.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 766 (3.71, 3.82, 59.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 767 (3.59, 3.81, 59.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 768 (3.53, 1.68, 17.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 769 (3.46, 0.67, 17.98 ppm): 12 chemical-shift based assignments, quality = 0.627, support = 1.67, residual support = 2.24: * T HA1 GLY 71 - QG2 ILE 68 8.333% * 58.0301% (0.77 10.00 1.92 2.95) = 58.030% kept T HA1 GLY 71 - QG2 ILE 101 8.333% * 30.7253% (0.48 10.00 1.64 1.48) = 30.725% kept T HA VAL 40 - QG2 ILE 101 8.333% * 6.0668% (0.44 10.00 0.35 0.59) = 6.067% kept T HA VAL 62 - QG2 ILE 101 8.333% * 4.5704% (0.21 10.00 0.56 0.77) = 4.570% kept T HA ILE 48 - QG2 ILE 101 8.333% * 0.3204% (0.08 10.00 0.10 0.14) = 0.320% HD3 PRO 31 - QG2 ILE 68 8.333% * 0.0636% (0.81 1.00 0.02 0.02) = 0.064% HA VAL 80 - QG2 ILE 68 8.333% * 0.0572% (0.73 1.00 0.02 0.02) = 0.057% HA VAL 40 - QG2 ILE 68 8.333% * 0.0553% (0.70 1.00 0.02 0.02) = 0.055% HD3 PRO 31 - QG2 ILE 101 8.333% * 0.0395% (0.50 1.00 0.02 0.35) = 0.040% HA VAL 80 - QG2 ILE 101 8.333% * 0.0355% (0.45 1.00 0.02 0.02) = 0.036% HA VAL 62 - QG2 ILE 68 8.333% * 0.0262% (0.33 1.00 0.02 0.02) = 0.026% HA ILE 48 - QG2 ILE 68 8.333% * 0.0098% (0.13 1.00 0.02 0.02) = 0.010% Peak 770 (2.71, 4.29, 17.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 772 (2.24, 1.68, 17.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 780 (1.68, 1.68, 17.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 781 (1.66, 0.86, 17.87 ppm): 9 chemical-shift based assignments, quality = 0.388, support = 4.58, residual support = 67.7: * O T HB ILE 100 - QG2 ILE 100 11.111% * 99.4365% (0.39 10.0 10.00 4.61 68.06) = 99.437% kept HG3 ARG+ 84 - QG2 ILE 100 11.111% * 0.1049% (0.41 1.0 1.00 0.02 0.02) = 0.105% HB3 LYS+ 66 - QG2 ILE 100 11.111% * 0.1014% (0.40 1.0 1.00 0.02 4.12) = 0.101% HB3 MET 97 - QG2 ILE 100 11.111% * 0.0912% (0.36 1.0 1.00 0.02 0.02) = 0.091% HB3 MET 126 - QG2 ILE 100 11.111% * 0.0842% (0.33 1.0 1.00 0.02 0.02) = 0.084% HB3 LYS+ 81 - QG2 ILE 100 11.111% * 0.0680% (0.27 1.0 1.00 0.02 0.02) = 0.068% HG2 ARG+ 22 - QG2 ILE 100 11.111% * 0.0638% (0.25 1.0 1.00 0.02 0.13) = 0.064% HD3 LYS+ 55 - QG2 ILE 100 11.111% * 0.0292% (0.11 1.0 1.00 0.02 0.02) = 0.029% HG13 ILE 19 - QG2 ILE 100 11.111% * 0.0208% (0.08 1.0 1.00 0.02 0.02) = 0.021% Peak 782 (1.63, 0.68, 17.86 ppm): 20 chemical-shift based assignments, quality = 0.724, support = 4.28, residual support = 95.9: * O T HB ILE 68 - QG2 ILE 68 5.000% * 48.5792% (0.80 10.0 10.00 3.87 92.61) = 48.579% kept O HG12 ILE 101 - QG2 ILE 101 5.000% * 39.5888% (0.65 10.0 1.00 5.85 128.54) = 39.589% kept T HB ILE 68 - QG2 ILE 101 5.000% * 7.2948% (0.64 1.0 10.00 0.38 0.10) = 7.295% kept HG LEU 43 - QG2 ILE 68 5.000% * 3.6928% (0.80 1.0 1.00 1.52 0.61) = 3.693% kept HG2 ARG+ 22 - QG2 ILE 68 5.000% * 0.4106% (0.65 1.0 1.00 0.21 0.02) = 0.411% HG LEU 23 - QG2 ILE 68 5.000% * 0.0523% (0.86 1.0 1.00 0.02 0.02) = 0.052% HG12 ILE 101 - QG2 ILE 68 5.000% * 0.0500% (0.83 1.0 1.00 0.02 0.10) = 0.050% HB VAL 122 - QG2 ILE 68 5.000% * 0.0486% (0.80 1.0 1.00 0.02 0.02) = 0.049% HG LEU 23 - QG2 ILE 101 5.000% * 0.0414% (0.68 1.0 1.00 0.02 0.50) = 0.041% HG LEU 43 - QG2 ILE 101 5.000% * 0.0385% (0.64 1.0 1.00 0.02 0.02) = 0.038% HB VAL 122 - QG2 ILE 101 5.000% * 0.0385% (0.64 1.0 1.00 0.02 0.02) = 0.038% HG3 LYS+ 78 - QG2 ILE 68 5.000% * 0.0350% (0.58 1.0 1.00 0.02 0.02) = 0.035% HG2 ARG+ 22 - QG2 ILE 101 5.000% * 0.0311% (0.51 1.0 1.00 0.02 3.44) = 0.031% HG3 LYS+ 78 - QG2 ILE 101 5.000% * 0.0277% (0.46 1.0 1.00 0.02 0.02) = 0.028% HG2 LYS+ 110 - QG2 ILE 68 5.000% * 0.0167% (0.28 1.0 1.00 0.02 0.02) = 0.017% HG2 LYS+ 110 - QG2 ILE 101 5.000% * 0.0132% (0.22 1.0 1.00 0.02 0.77) = 0.013% HG3 ARG+ 84 - QG2 ILE 68 5.000% * 0.0121% (0.20 1.0 1.00 0.02 0.39) = 0.012% HB3 PRO 52 - QG2 ILE 68 5.000% * 0.0107% (0.18 1.0 1.00 0.02 0.02) = 0.011% HG3 ARG+ 84 - QG2 ILE 101 5.000% * 0.0095% (0.16 1.0 1.00 0.02 0.02) = 0.010% HB3 PRO 52 - QG2 ILE 101 5.000% * 0.0085% (0.14 1.0 1.00 0.02 0.02) = 0.008% Peak 786 (1.40, 0.86, 17.83 ppm): 15 chemical-shift based assignments, quality = 0.545, support = 4.24, residual support = 65.7: * O HG13 ILE 100 - QG2 ILE 100 6.667% * 96.4811% (0.55 10.0 4.37 68.06) = 96.481% kept QB ALA 93 - QG2 ILE 100 6.667% * 2.9690% (0.55 1.0 0.62 0.02) = 2.969% kept HG LEU 67 - QG2 ILE 100 6.667% * 0.0963% (0.55 1.0 0.02 8.63) = 0.096% QB ALA 37 - QG2 ILE 100 6.667% * 0.0891% (0.51 1.0 0.02 0.02) = 0.089% HD3 LYS+ 20 - QG2 ILE 100 6.667% * 0.0806% (0.46 1.0 0.02 0.02) = 0.081% HD3 LYS+ 44 - QG2 ILE 100 6.667% * 0.0508% (0.29 1.0 0.02 0.02) = 0.051% QB ALA 91 - QG2 ILE 100 6.667% * 0.0397% (0.23 1.0 0.02 0.02) = 0.040% HG13 ILE 68 - QG2 ILE 100 6.667% * 0.0397% (0.23 1.0 0.02 0.93) = 0.040% QG2 THR 38 - QG2 ILE 100 6.667% * 0.0329% (0.19 1.0 0.02 0.02) = 0.033% QG2 THR 39 - QG2 ILE 100 6.667% * 0.0241% (0.14 1.0 0.02 0.02) = 0.024% HD3 LYS+ 113 - QG2 ILE 100 6.667% * 0.0241% (0.14 1.0 0.02 0.02) = 0.024% HG3 ARG+ 22 - QG2 ILE 100 6.667% * 0.0215% (0.12 1.0 0.02 0.13) = 0.021% HG3 LYS+ 55 - QG2 ILE 100 6.667% * 0.0215% (0.12 1.0 0.02 0.02) = 0.021% HG3 LYS+ 113 - QG2 ILE 100 6.667% * 0.0169% (0.10 1.0 0.02 0.02) = 0.017% HG2 LYS+ 78 - QG2 ILE 100 6.667% * 0.0131% (0.07 1.0 0.02 0.02) = 0.013% Peak 789 (1.29, 0.72, 17.82 ppm): 14 chemical-shift based assignments, quality = 0.51, support = 4.97, residual support = 107.1: * O T HG13 ILE 101 - QG2 ILE 101 7.143% * 83.2956% (0.54 10.0 10.00 5.86 128.54) = 83.296% kept T HB3 LEU 74 - QG2 ILE 101 7.143% * 12.5449% (0.32 1.0 10.00 0.50 0.02) = 12.545% kept QB ALA 103 - QG2 ILE 101 7.143% * 2.4065% (0.72 1.0 1.00 0.43 0.02) = 2.407% kept HG2 LYS+ 32 - QG2 ILE 101 7.143% * 1.3491% (0.20 1.0 1.00 0.89 1.04) = 1.349% kept HB2 LYS+ 55 - QG2 ILE 101 7.143% * 0.1210% (0.78 1.0 1.00 0.02 0.02) = 0.121% HG2 LYS+ 81 - QG2 ILE 101 7.143% * 0.0735% (0.48 1.0 1.00 0.02 0.02) = 0.074% QG2 THR 46 - QG2 ILE 101 7.143% * 0.0414% (0.27 1.0 1.00 0.02 0.02) = 0.041% HB2 LYS+ 55 - QG2 ILE 68 7.143% * 0.0397% (0.26 1.0 1.00 0.02 0.02) = 0.040% QB ALA 103 - QG2 ILE 68 7.143% * 0.0368% (0.24 1.0 1.00 0.02 0.02) = 0.037% HG13 ILE 101 - QG2 ILE 68 7.143% * 0.0274% (0.18 1.0 1.00 0.02 0.10) = 0.027% HG2 LYS+ 81 - QG2 ILE 68 7.143% * 0.0242% (0.16 1.0 1.00 0.02 0.02) = 0.024% HB3 LEU 74 - QG2 ILE 68 7.143% * 0.0164% (0.11 1.0 1.00 0.02 1.07) = 0.016% QG2 THR 46 - QG2 ILE 68 7.143% * 0.0136% (0.09 1.0 1.00 0.02 0.02) = 0.014% HG2 LYS+ 32 - QG2 ILE 68 7.143% * 0.0099% (0.06 1.0 1.00 0.02 0.02) = 0.010% Peak 792 (1.09, 1.68, 17.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 795 (0.69, 1.68, 17.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 796 (0.69, 0.68, 17.94 ppm): 2 diagonal assignments: * QG2 ILE 68 - QG2 ILE 68 (0.92) kept QG2 ILE 101 - QG2 ILE 101 (0.55) kept Peak 799 (0.47, 1.68, 17.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 804 (0.00, 1.68, 17.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 806 (8.30, 4.37, 58.96 ppm): 12 chemical-shift based assignments, quality = 0.599, support = 2.28, residual support = 5.47: * O HN ASP- 28 - HA SER 27 8.333% * 81.9106% (0.69 10.0 2.49 6.10) = 81.911% kept O HN ASN 89 - HA SER 88 8.333% * 17.5884% (0.21 10.0 1.38 2.69) = 17.588% kept HN ALA 91 - HA SER 27 8.333% * 0.1128% (0.94 1.0 0.02 0.02) = 0.113% HN ALA 91 - HA SER 88 8.333% * 0.0747% (0.62 1.0 0.02 0.02) = 0.075% HN VAL 99 - HA SER 27 8.333% * 0.0730% (0.61 1.0 0.02 0.02) = 0.073% HN ASP- 28 - HA SER 88 8.333% * 0.0542% (0.45 1.0 0.02 0.02) = 0.054% HN VAL 99 - HA SER 88 8.333% * 0.0483% (0.40 1.0 0.02 0.02) = 0.048% HN ASN 89 - HA SER 27 8.333% * 0.0385% (0.32 1.0 0.02 0.02) = 0.038% HN ASN 76 - HA SER 27 8.333% * 0.0348% (0.29 1.0 0.02 0.02) = 0.035% HN GLY 114 - HA SER 27 8.333% * 0.0251% (0.21 1.0 0.02 0.02) = 0.025% HN ASN 76 - HA SER 88 8.333% * 0.0230% (0.19 1.0 0.02 0.02) = 0.023% HN GLY 114 - HA SER 88 8.333% * 0.0166% (0.14 1.0 0.02 0.02) = 0.017% Peak 809 (4.09, 3.98, 58.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 812 (3.88, 4.38, 59.10 ppm): 18 chemical-shift based assignments, quality = 0.641, support = 1.81, residual support = 8.28: * O T HB3 SER 27 - HA SER 27 5.556% * 58.5937% (0.77 10.0 10.00 2.00 5.99) = 58.594% kept O T HB3 SER 88 - HA SER 88 5.556% * 36.8338% (0.49 10.0 10.00 1.72 12.96) = 36.834% kept T HB3 SER 77 - HA SER 27 5.556% * 1.7903% (0.56 1.0 10.00 0.08 0.02) = 1.790% kept T HB3 SER 27 - HA SER 88 5.556% * 0.5848% (0.77 1.0 10.00 0.02 0.02) = 0.585% T HB3 SER 77 - HA SER 88 5.556% * 0.4246% (0.56 1.0 10.00 0.02 0.02) = 0.425% T HB2 SER 85 - HA SER 27 5.556% * 0.3972% (0.52 1.0 10.00 0.02 0.02) = 0.397% T HB2 SER 85 - HA SER 88 5.556% * 0.3964% (0.52 1.0 10.00 0.02 0.02) = 0.396% T HB3 SER 88 - HA SER 27 5.556% * 0.3691% (0.49 1.0 10.00 0.02 0.02) = 0.369% HD3 PRO 35 - HA SER 27 5.556% * 0.0695% (0.92 1.0 1.00 0.02 0.02) = 0.070% HD3 PRO 35 - HA SER 88 5.556% * 0.0694% (0.91 1.0 1.00 0.02 0.02) = 0.069% HD2 PRO 116 - HA SER 27 5.556% * 0.0677% (0.89 1.0 1.00 0.02 0.02) = 0.068% HD2 PRO 116 - HA SER 88 5.556% * 0.0676% (0.89 1.0 1.00 0.02 0.02) = 0.068% HD2 PRO 86 - HA SER 27 5.556% * 0.0648% (0.85 1.0 1.00 0.02 0.02) = 0.065% HD2 PRO 86 - HA SER 88 5.556% * 0.0646% (0.85 1.0 1.00 0.02 0.02) = 0.065% HA GLU- 45 - HA SER 27 5.556% * 0.0608% (0.80 1.0 1.00 0.02 0.02) = 0.061% HA GLU- 45 - HA SER 88 5.556% * 0.0607% (0.80 1.0 1.00 0.02 0.21) = 0.061% HA2 GLY 114 - HA SER 27 5.556% * 0.0425% (0.56 1.0 1.00 0.02 0.02) = 0.043% HA2 GLY 114 - HA SER 88 5.556% * 0.0425% (0.56 1.0 1.00 0.02 0.02) = 0.042% Peak 818 (1.37, 4.38, 59.17 ppm): 16 chemical-shift based assignments, quality = 0.583, support = 0.362, residual support = 0.105: T HG3 LYS+ 81 - HA SER 88 6.250% * 22.1612% (0.61 10.00 0.08 0.02) = 22.161% kept HB3 LEU 17 - HA SER 88 6.250% * 21.1016% (0.70 1.00 0.65 0.32) = 21.102% kept HB3 LEU 17 - HA SER 27 6.250% * 18.9086% (0.62 1.00 0.66 0.14) = 18.909% kept HG2 LYS+ 78 - HA SER 27 6.250% * 8.6290% (0.70 1.00 0.27 0.02) = 8.629% kept QG2 THR 39 - HA SER 27 6.250% * 7.8390% (0.59 1.00 0.29 0.02) = 7.839% kept HG13 ILE 68 - HA SER 27 6.250% * 6.6172% (0.45 1.00 0.32 0.02) = 6.617% kept T HG3 LYS+ 81 - HA SER 27 6.250% * 4.9810% (0.54 10.00 0.02 0.02) = 4.981% kept HD3 LYS+ 20 - HA SER 27 6.250% * 3.1953% (0.16 1.00 0.42 0.02) = 3.195% kept QG2 THR 39 - HA SER 88 6.250% * 2.3492% (0.67 1.00 0.08 0.02) = 2.349% kept QB ALA 11 - HA SER 88 6.250% * 0.7597% (0.82 1.00 0.02 0.02) = 0.760% HB3 LYS+ 20 - HA SER 88 6.250% * 0.7480% (0.81 1.00 0.02 0.02) = 0.748% HG2 LYS+ 78 - HA SER 88 6.250% * 0.7332% (0.79 1.00 0.02 0.02) = 0.733% QB ALA 11 - HA SER 27 6.250% * 0.6724% (0.73 1.00 0.02 0.02) = 0.672% HB3 LYS+ 20 - HA SER 27 6.250% * 0.6620% (0.71 1.00 0.02 0.02) = 0.662% HG13 ILE 68 - HA SER 88 6.250% * 0.4701% (0.51 1.00 0.02 0.02) = 0.470% HD3 LYS+ 20 - HA SER 88 6.250% * 0.1726% (0.19 1.00 0.02 0.02) = 0.173% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 824 (0.89, 4.38, 59.13 ppm): 18 chemical-shift based assignments, quality = 0.67, support = 1.37, residual support = 7.82: * QG2 VAL 87 - HA SER 88 5.556% * 66.3965% (0.78 1.87 11.74) = 66.396% kept QD1 LEU 67 - HA SER 88 5.556% * 18.4360% (0.63 0.64 0.11) = 18.436% kept QG1 VAL 47 - HA SER 27 5.556% * 2.8719% (0.60 0.11 0.02) = 2.872% kept QD1 LEU 90 - HA SER 88 5.556% * 2.7914% (0.24 0.25 0.02) = 2.791% kept HG3 LYS+ 117 - HA SER 88 5.556% * 2.3479% (0.55 0.09 0.02) = 2.348% kept QG1 VAL 80 - HA SER 88 5.556% * 0.8836% (0.97 0.02 0.02) = 0.884% QG2 VAL 125 - HA SER 88 5.556% * 0.7681% (0.84 0.02 0.02) = 0.768% QG1 VAL 80 - HA SER 27 5.556% * 0.7485% (0.82 0.02 0.02) = 0.749% QG2 VAL 40 - HA SER 88 5.556% * 0.7091% (0.78 0.02 0.02) = 0.709% QG2 VAL 125 - HA SER 27 5.556% * 0.6507% (0.71 0.02 0.02) = 0.651% QG1 VAL 47 - HA SER 88 5.556% * 0.6430% (0.71 0.02 0.02) = 0.643% QG2 VAL 87 - HA SER 27 5.556% * 0.6007% (0.66 0.02 0.02) = 0.601% QG2 VAL 40 - HA SER 27 5.556% * 0.6007% (0.66 0.02 0.02) = 0.601% QD1 LEU 67 - HA SER 27 5.556% * 0.4853% (0.53 0.02 0.02) = 0.485% HG3 LYS+ 117 - HA SER 27 5.556% * 0.4247% (0.47 0.02 0.02) = 0.425% QG2 ILE 100 - HA SER 88 5.556% * 0.2462% (0.27 0.02 0.02) = 0.246% QG2 ILE 100 - HA SER 27 5.556% * 0.2086% (0.23 0.02 0.02) = 0.209% QD1 LEU 90 - HA SER 27 5.556% * 0.1871% (0.21 0.02 0.02) = 0.187% Peak 827 (9.04, 0.95, 17.31 ppm): 2 chemical-shift based assignments, quality = 0.842, support = 3.07, residual support = 9.28: * HN GLY 30 - QG2 ILE 29 50.000% * 79.8476% (0.83 3.63 11.57) = 79.848% kept HN THR 79 - QG2 ILE 29 50.000% * 20.1524% (0.89 0.85 0.18) = 20.152% kept Peak 828 (7.85, 4.09, 58.60 ppm): 3 chemical-shift based assignments, quality = 0.387, support = 3.69, residual support = 22.4: * O HN LYS+ 63 - HA LYS+ 63 33.333% * 99.8381% (0.39 10.0 3.69 22.47) = 99.838% kept HN THR 38 - HA LYS+ 63 33.333% * 0.0920% (0.36 1.0 0.02 0.02) = 0.092% HD22 ASN 89 - HA LYS+ 63 33.333% * 0.0700% (0.27 1.0 0.02 0.02) = 0.070% Peak 829 (6.89, 0.94, 17.30 ppm): 3 chemical-shift based assignments, quality = 0.834, support = 1.85, residual support = 21.8: * QD PHE 21 - QG2 ILE 29 33.333% * 70.2056% (0.82 2.41 30.76) = 70.206% kept HD22 ASN 15 - QG2 ILE 29 33.333% * 20.1887% (0.97 0.58 0.36) = 20.189% kept HD21 ASN 119 - QG2 ILE 29 33.333% * 9.6057% (0.64 0.43 1.17) = 9.606% kept Peak 849 (4.31, 0.94, 17.30 ppm): 6 chemical-shift based assignments, quality = 0.953, support = 5.14, residual support = 61.0: * O T HA ILE 29 - QG2 ILE 29 16.667% * 99.4715% (0.96 10.0 10.00 5.17 61.32) = 99.472% kept T HA THR 106 - QG2 ILE 29 16.667% * 0.3132% (0.30 1.0 10.00 0.02 0.02) = 0.313% HA ALA 93 - QG2 ILE 29 16.667% * 0.1006% (0.97 1.0 1.00 0.02 0.02) = 0.101% HA ASP- 36 - QG2 ILE 29 16.667% * 0.0575% (0.55 1.0 1.00 0.02 0.02) = 0.057% HA CYS 121 - QG2 ILE 29 16.667% * 0.0346% (0.33 1.0 1.00 0.02 0.02) = 0.035% HB3 CYS 121 - QG2 ILE 29 16.667% * 0.0226% (0.22 1.0 1.00 0.02 0.02) = 0.023% Peak 851 (4.10, 1.48, 17.39 ppm): 6 chemical-shift based assignments, quality = 0.961, support = 2.25, residual support = 13.6: * O T HA ALA 70 - QB ALA 70 16.667% * 98.3628% (0.98 10.0 10.00 2.29 13.82) = 98.363% kept T HA LYS+ 63 - QB ALA 70 16.667% * 0.9814% (0.97 1.0 10.00 0.02 0.02) = 0.981% HB3 SER 49 - QB ALA 70 16.667% * 0.4729% (0.77 1.0 1.00 0.12 0.02) = 0.473% HA THR 46 - QB ALA 70 16.667% * 0.0822% (0.82 1.0 1.00 0.02 0.02) = 0.082% HA THR 24 - QB ALA 70 16.667% * 0.0788% (0.78 1.0 1.00 0.02 0.02) = 0.079% HA ARG+ 53 - QB ALA 70 16.667% * 0.0219% (0.22 1.0 1.00 0.02 0.02) = 0.022% Peak 865 (2.39, 0.94, 17.31 ppm): 5 chemical-shift based assignments, quality = 0.758, support = 1.98, residual support = 8.3: T HG2 PRO 112 - QG2 ILE 29 20.000% * 65.6518% (0.68 10.00 1.26 0.85) = 65.652% kept * HB3 ASP- 28 - QG2 ILE 29 20.000% * 28.9641% (0.96 1.00 3.95 26.71) = 28.964% kept T HB3 GLU- 50 - QG2 ILE 29 20.000% * 4.5926% (0.70 10.00 0.09 0.13) = 4.593% kept HB2 LYS+ 78 - QG2 ILE 29 20.000% * 0.7655% (0.93 1.00 0.11 0.02) = 0.766% HG3 GLU- 50 - QG2 ILE 29 20.000% * 0.0259% (0.17 1.00 0.02 0.13) = 0.026% Peak 885 (2.10, 2.14, 16.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 886 (2.09, 2.09, 17.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 898 (1.92, 0.95, 17.32 ppm): 13 chemical-shift based assignments, quality = 0.896, support = 3.12, residual support = 37.0: * O T HB ILE 29 - QG2 ILE 29 7.692% * 51.5621% (0.96 10.0 10.00 4.83 61.32) = 51.562% kept T HB2 LEU 23 - QG2 ILE 29 7.692% * 36.0856% (0.99 1.0 10.00 1.35 14.52) = 36.086% kept T HG2 PRO 112 - QG2 ILE 29 7.692% * 10.8195% (0.32 1.0 10.00 1.26 0.85) = 10.820% kept HB2 PRO 112 - QG2 ILE 29 7.692% * 1.1166% (0.73 1.0 1.00 0.57 0.85) = 1.117% kept T HB2 GLU- 75 - QG2 ILE 29 7.692% * 0.2005% (0.37 1.0 10.00 0.02 0.02) = 0.201% HD3 LYS+ 63 - QG2 ILE 29 7.692% * 0.0463% (0.86 1.0 1.00 0.02 0.02) = 0.046% HB3 GLN 102 - QG2 ILE 29 7.692% * 0.0367% (0.68 1.0 1.00 0.02 0.02) = 0.037% HB2 GLU- 10 - QG2 ILE 29 7.692% * 0.0367% (0.68 1.0 1.00 0.02 0.02) = 0.037% HB2 PRO 116 - QG2 ILE 29 7.692% * 0.0367% (0.68 1.0 1.00 0.02 0.02) = 0.037% HB3 ARG+ 53 - QG2 ILE 29 7.692% * 0.0220% (0.41 1.0 1.00 0.02 0.02) = 0.022% HB3 CYS 123 - QG2 ILE 29 7.692% * 0.0149% (0.28 1.0 1.00 0.02 0.02) = 0.015% HB3 LYS+ 55 - QG2 ILE 29 7.692% * 0.0119% (0.22 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 31 - QG2 ILE 29 7.692% * 0.0106% (0.20 1.0 1.00 0.02 0.02) = 0.011% Peak 901 (1.79, 4.09, 58.63 ppm): 12 chemical-shift based assignments, quality = 0.682, support = 2.39, residual support = 22.4: * O T HB3 LYS+ 63 - HA LYS+ 63 8.333% * 52.9007% (0.72 10.0 10.00 2.28 22.47) = 52.901% kept O HG3 LYS+ 63 - HA LYS+ 63 8.333% * 46.8146% (0.64 10.0 1.00 2.53 22.47) = 46.815% kept HB3 LYS+ 108 - HA LYS+ 63 8.333% * 0.0529% (0.72 1.0 1.00 0.02 0.02) = 0.053% HG2 PRO 31 - HA LYS+ 63 8.333% * 0.0484% (0.66 1.0 1.00 0.02 0.02) = 0.048% HG3 ARG+ 53 - HA LYS+ 63 8.333% * 0.0392% (0.54 1.0 1.00 0.02 0.02) = 0.039% HB2 ARG+ 84 - HA LYS+ 63 8.333% * 0.0284% (0.39 1.0 1.00 0.02 0.02) = 0.028% HG2 ARG+ 84 - HA LYS+ 63 8.333% * 0.0263% (0.36 1.0 1.00 0.02 0.02) = 0.026% HB2 GLU- 109 - HA LYS+ 63 8.333% * 0.0242% (0.33 1.0 1.00 0.02 0.02) = 0.024% HB3 GLU- 18 - HA LYS+ 63 8.333% * 0.0242% (0.33 1.0 1.00 0.02 0.02) = 0.024% HD3 LYS+ 72 - HA LYS+ 63 8.333% * 0.0184% (0.25 1.0 1.00 0.02 0.02) = 0.018% HG3 LYS+ 108 - HA LYS+ 63 8.333% * 0.0120% (0.16 1.0 1.00 0.02 0.02) = 0.012% HD3 LYS+ 117 - HA LYS+ 63 8.333% * 0.0107% (0.15 1.0 1.00 0.02 0.73) = 0.011% Peak 905 (1.74, 0.95, 17.40 ppm): 6 chemical-shift based assignments, quality = 0.599, support = 0.928, residual support = 12.5: T HB2 LEU 17 - QG2 ILE 29 16.667% * 61.0524% (0.49 10.00 0.76 17.08) = 61.052% kept HB ILE 48 - QG2 ILE 29 16.667% * 21.3355% (0.88 1.00 1.47 1.84) = 21.335% kept HB3 LEU 23 - QG2 ILE 29 16.667% * 11.3344% (0.78 1.00 0.89 14.52) = 11.334% kept HB2 GLN 16 - QG2 ILE 29 16.667% * 5.9174% (0.42 1.00 0.86 0.02) = 5.917% kept HB2 LYS+ 117 - QG2 ILE 29 16.667% * 0.2454% (0.74 1.00 0.02 0.02) = 0.245% HD3 PRO 59 - QG2 ILE 29 16.667% * 0.1150% (0.35 1.00 0.02 0.02) = 0.115% Peak 910 (1.58, 0.95, 17.36 ppm): 12 chemical-shift based assignments, quality = 0.561, support = 4.19, residual support = 32.3: T HG LEU 17 - QG2 ILE 29 8.333% * 53.5763% (0.75 1.0 10.00 4.53 17.08) = 53.576% kept * O HG12 ILE 29 - QG2 ILE 29 8.333% * 23.9134% (0.33 10.0 1.00 4.62 61.32) = 23.913% kept O HG13 ILE 29 - QG2 ILE 29 8.333% * 13.8737% (0.19 10.0 1.00 4.58 61.32) = 13.874% kept T HD3 LYS+ 60 - QG2 ILE 29 8.333% * 8.1638% (0.67 1.0 10.00 0.34 0.02) = 8.164% kept T QB ALA 42 - QG2 ILE 29 8.333% * 0.2391% (0.33 1.0 10.00 0.02 0.02) = 0.239% HB3 LYS+ 32 - QG2 ILE 29 8.333% * 0.0608% (0.85 1.0 1.00 0.02 0.02) = 0.061% HB ILE 19 - QG2 ILE 29 8.333% * 0.0561% (0.78 1.0 1.00 0.02 0.02) = 0.056% HD3 LYS+ 81 - QG2 ILE 29 8.333% * 0.0425% (0.59 1.0 1.00 0.02 0.02) = 0.043% HD3 LYS+ 32 - QG2 ILE 29 8.333% * 0.0263% (0.37 1.0 1.00 0.02 0.02) = 0.026% HB3 LEU 90 - QG2 ILE 29 8.333% * 0.0195% (0.27 1.0 1.00 0.02 0.02) = 0.019% HB3 PRO 52 - QG2 ILE 29 8.333% * 0.0175% (0.24 1.0 1.00 0.02 3.61) = 0.017% HG2 LYS+ 110 - QG2 ILE 29 8.333% * 0.0108% (0.15 1.0 1.00 0.02 0.02) = 0.011% Peak 911 (1.50, 4.07, 58.65 ppm): 5 chemical-shift based assignments, quality = 0.118, support = 0.0304, residual support = 0.241: T QB ALA 70 - HA LYS+ 63 20.000% * 50.0934% (0.09 10.00 0.02 0.02) = 50.093% kept HB3 LYS+ 44 - HA LYS+ 63 20.000% * 17.9546% (0.08 1.00 0.08 1.25) = 17.955% kept HD3 LYS+ 108 - HA LYS+ 63 20.000% * 11.1485% (0.20 1.00 0.02 0.02) = 11.148% kept HB2 LYS+ 72 - HA LYS+ 63 20.000% * 10.7830% (0.19 1.00 0.02 0.02) = 10.783% kept HG3 LYS+ 72 - HA LYS+ 63 20.000% * 10.0205% (0.18 1.00 0.02 0.02) = 10.021% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 913 (1.48, 1.48, 17.38 ppm): 1 diagonal assignment: * QB ALA 70 - QB ALA 70 (0.98) kept Peak 920 (1.15, 1.15, 17.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 923 (0.95, 0.94, 17.31 ppm): 1 diagonal assignment: * QG2 ILE 29 - QG2 ILE 29 (0.99) kept Peak 926 (9.08, 4.13, 58.46 ppm): 4 chemical-shift based assignments, quality = 0.512, support = 4.39, residual support = 30.1: * O HN GLU- 54 - HA ARG+ 53 25.000% * 94.3531% (0.51 10.0 4.61 31.86) = 94.353% kept HN LYS+ 66 - HA ARG+ 53 25.000% * 4.4637% (0.59 1.0 0.82 0.02) = 4.464% kept HN GLU- 54 - HA LYS+ 63 25.000% * 1.1254% (0.27 1.0 0.45 0.02) = 1.125% kept HN LYS+ 66 - HA LYS+ 63 25.000% * 0.0578% (0.31 1.0 0.02 0.02) = 0.058% Peak 927 (8.97, 0.02, 16.80 ppm): 6 chemical-shift based assignments, quality = 0.767, support = 4.8, residual support = 48.8: * HN ILE 19 - QG2 ILE 19 16.667% * 45.7616% (0.96 5.86 96.53) = 45.762% kept HN MET 97 - QG2 ILE 19 16.667% * 29.2629% (0.80 4.47 7.98) = 29.263% kept HN LEU 17 - QG2 ILE 19 16.667% * 10.3133% (0.62 2.04 13.75) = 10.313% kept HN THR 96 - QG2 ILE 19 16.667% * 8.5201% (0.19 5.50 5.70) = 8.520% kept HN ARG+ 22 - QG2 ILE 19 16.667% * 3.1567% (0.24 1.62 1.75) = 3.157% kept HN PHE 21 - QG2 ILE 19 16.667% * 2.9854% (0.13 2.82 10.00) = 2.985% kept Peak 928 (8.61, 0.02, 16.86 ppm): 4 chemical-shift based assignments, quality = 0.694, support = 6.27, residual support = 42.1: * HN LYS+ 20 - QG2 ILE 19 25.000% * 92.5499% (0.73 6.73 45.44) = 92.550% kept HN SER 85 - QG2 ILE 19 25.000% * 3.7650% (0.45 0.44 0.02) = 3.765% kept HN THR 39 - QG2 ILE 19 25.000% * 2.2462% (0.17 0.68 0.14) = 2.246% kept HN VAL 80 - QG2 ILE 19 25.000% * 1.4389% (0.15 0.49 0.02) = 1.439% kept Peak 929 (8.44, 4.13, 58.51 ppm): 12 chemical-shift based assignments, quality = 0.656, support = 4.51, residual support = 35.9: * O HN ARG+ 53 - HA ARG+ 53 8.333% * 92.5497% (0.66 10.0 4.81 38.76) = 92.550% kept HN CYS 123 - HA ARG+ 53 8.333% * 4.6325% (0.62 1.0 1.05 0.11) = 4.632% kept HN LEU 74 - HA ARG+ 53 8.333% * 2.5363% (0.77 1.0 0.47 0.02) = 2.536% kept HN LEU 74 - HA LYS+ 63 8.333% * 0.0494% (0.35 1.0 0.02 0.02) = 0.049% HN GLU- 107 - HA ARG+ 53 8.333% * 0.0455% (0.32 1.0 0.02 0.02) = 0.045% HN ARG+ 53 - HA LYS+ 63 8.333% * 0.0421% (0.30 1.0 0.02 0.02) = 0.042% HN CYS 123 - HA LYS+ 63 8.333% * 0.0400% (0.28 1.0 0.02 0.02) = 0.040% HN LYS+ 117 - HA ARG+ 53 8.333% * 0.0337% (0.24 1.0 0.02 0.02) = 0.034% HN GLY 92 - HA ARG+ 53 8.333% * 0.0240% (0.17 1.0 0.02 0.02) = 0.024% HN GLU- 107 - HA LYS+ 63 8.333% * 0.0207% (0.15 1.0 0.02 0.02) = 0.021% HN LYS+ 117 - HA LYS+ 63 8.333% * 0.0153% (0.11 1.0 0.02 0.73) = 0.015% HN GLY 92 - HA LYS+ 63 8.333% * 0.0109% (0.08 1.0 0.02 0.02) = 0.011% Peak 930 (7.34, 0.02, 16.81 ppm): 7 chemical-shift based assignments, quality = 0.827, support = 4.06, residual support = 50.9: * QE PHE 34 - QG2 ILE 19 14.286% * 37.8176% (0.93 4.40 54.24) = 37.818% kept HZ PHE 34 - QG2 ILE 19 14.286% * 31.0241% (0.93 3.61 54.24) = 31.024% kept QD PHE 34 - QG2 ILE 19 14.286% * 25.0108% (0.55 4.96 54.24) = 25.011% kept HZ2 TRP 51 - QG2 ILE 19 14.286% * 5.0032% (0.93 0.58 0.02) = 5.003% kept HN VAL 47 - QG2 ILE 19 14.286% * 1.0333% (0.47 0.24 0.02) = 1.033% kept HN ARG+ 84 - QG2 ILE 19 14.286% * 0.0798% (0.43 0.02 0.02) = 0.080% HE22 GLN 102 - QG2 ILE 19 14.286% * 0.0312% (0.17 0.02 0.02) = 0.031% Peak 931 (4.87, 0.02, 16.86 ppm): 3 chemical-shift based assignments, quality = 0.634, support = 5.61, residual support = 82.4: * O HA ILE 19 - QG2 ILE 19 33.333% * 84.4846% (0.65 10.0 5.88 96.53) = 84.485% kept HA THR 96 - QG2 ILE 19 33.333% * 15.4064% (0.57 1.0 4.17 5.70) = 15.406% kept HA ASP- 115 - QG2 ILE 19 33.333% * 0.1091% (0.84 1.0 0.02 0.02) = 0.109% Peak 933 (4.12, 4.12, 58.42 ppm): 2 diagonal assignments: * HA ARG+ 53 - HA ARG+ 53 (0.47) kept HA LYS+ 63 - HA LYS+ 63 (0.24) kept Peak 934 (3.74, 3.73, 58.36 ppm): 1 diagonal assignment: * HA LEU 43 - HA LEU 43 (0.93) kept Peak 935 (2.25, 0.02, 16.85 ppm): 14 chemical-shift based assignments, quality = 0.723, support = 0.526, residual support = 1.01: T HG3 GLN 16 - QG2 ILE 19 7.143% * 43.4794% (0.73 10.00 0.23 1.50) = 43.479% kept HG2 PRO 112 - QG2 ILE 19 7.143% * 23.1140% (0.99 1.00 0.91 1.03) = 23.114% kept HB3 PRO 112 - QG2 ILE 19 7.143% * 11.3688% (0.36 1.00 1.22 1.03) = 11.369% kept HB3 ASN 15 - QG2 ILE 19 7.143% * 10.1420% (0.90 1.00 0.44 0.02) = 10.142% kept HB VAL 80 - QG2 ILE 19 7.143% * 5.3732% (0.57 1.00 0.37 0.02) = 5.373% kept HB3 LYS+ 117 - QG2 ILE 19 7.143% * 3.4558% (0.49 1.00 0.28 0.02) = 3.456% kept T HG3 GLN 102 - QG2 ILE 19 7.143% * 0.8965% (0.17 10.00 0.02 0.02) = 0.897% HG3 GLU- 107 - QG2 ILE 19 7.143% * 0.4843% (0.94 1.00 0.02 0.02) = 0.484% HG3 GLU- 54 - QG2 ILE 19 7.143% * 0.4591% (0.90 1.00 0.02 0.02) = 0.459% HG3 GLU- 10 - QG2 ILE 19 7.143% * 0.3912% (0.76 1.00 0.02 0.02) = 0.391% HB3 GLU- 45 - QG2 ILE 19 7.143% * 0.3312% (0.65 1.00 0.02 0.02) = 0.331% HG3 GLU- 75 - QG2 ILE 19 7.143% * 0.2492% (0.49 1.00 0.02 0.02) = 0.249% HB2 PRO 52 - QG2 ILE 19 7.143% * 0.1276% (0.25 1.00 0.02 0.02) = 0.128% HG3 GLU- 109 - QG2 ILE 19 7.143% * 0.1276% (0.25 1.00 0.02 0.02) = 0.128% Reference assignment not found: HG3 MET 97 - QG2 ILE 19 Peak 938 (1.90, 4.13, 58.43 ppm): 26 chemical-shift based assignments, quality = 0.566, support = 3.76, residual support = 36.3: * O HB3 ARG+ 53 - HA ARG+ 53 3.846% * 89.4360% (0.61 10.0 4.00 38.76) = 89.436% kept HD3 PRO 52 - HA ARG+ 53 3.846% * 3.9971% (0.20 1.0 2.74 23.29) = 3.997% kept HD3 LYS+ 63 - HA LYS+ 63 3.846% * 3.1599% (0.20 1.0 2.16 22.47) = 3.160% kept HB3 CYS 123 - HA ARG+ 53 3.846% * 1.6030% (0.64 1.0 0.34 0.11) = 1.603% kept HD3 LYS+ 63 - HA ARG+ 53 3.846% * 0.9293% (0.34 1.0 0.37 0.02) = 0.929% HG2 GLU- 18 - HA ARG+ 53 3.846% * 0.0894% (0.61 1.0 0.02 0.02) = 0.089% HB3 GLN 16 - HA ARG+ 53 3.846% * 0.0894% (0.61 1.0 0.02 0.02) = 0.089% HB2 PRO 112 - HA ARG+ 53 3.846% * 0.0823% (0.56 1.0 0.02 0.02) = 0.082% HB3 GLN 102 - HA ARG+ 53 3.846% * 0.0687% (0.46 1.0 0.02 0.02) = 0.069% HB3 CYS 123 - HA LYS+ 63 3.846% * 0.0555% (0.38 1.0 0.02 0.02) = 0.056% HB3 ARG+ 53 - HA LYS+ 63 3.846% * 0.0527% (0.36 1.0 0.02 0.02) = 0.053% HB3 GLN 16 - HA LYS+ 63 3.846% * 0.0527% (0.36 1.0 0.02 0.02) = 0.053% HG2 GLU- 18 - HA LYS+ 63 3.846% * 0.0527% (0.36 1.0 0.02 0.02) = 0.053% HG3 LYS+ 120 - HA ARG+ 53 3.846% * 0.0497% (0.34 1.0 0.02 0.02) = 0.050% HB2 PRO 112 - HA LYS+ 63 3.846% * 0.0485% (0.33 1.0 0.02 0.02) = 0.048% HB3 GLN 102 - HA LYS+ 63 3.846% * 0.0404% (0.27 1.0 0.02 0.02) = 0.040% HG3 LYS+ 120 - HA LYS+ 63 3.846% * 0.0293% (0.20 1.0 0.02 0.02) = 0.029% HB3 ARG+ 84 - HA ARG+ 53 3.846% * 0.0263% (0.18 1.0 0.02 0.02) = 0.026% HB2 LEU 23 - HA ARG+ 53 3.846% * 0.0263% (0.18 1.0 0.02 0.20) = 0.026% HG2 PRO 112 - HA ARG+ 53 3.846% * 0.0249% (0.17 1.0 0.02 0.02) = 0.025% HD3 PRO 52 - HA LYS+ 63 3.846% * 0.0172% (0.12 1.0 0.02 1.22) = 0.017% HB2 LEU 23 - HA LYS+ 63 3.846% * 0.0155% (0.10 1.0 0.02 0.02) = 0.015% HB3 ARG+ 84 - HA LYS+ 63 3.846% * 0.0155% (0.10 1.0 0.02 0.02) = 0.015% HG2 PRO 112 - HA LYS+ 63 3.846% * 0.0147% (0.10 1.0 0.02 0.02) = 0.015% HB ILE 29 - HA ARG+ 53 3.846% * 0.0146% (0.10 1.0 0.02 0.02) = 0.015% HB ILE 29 - HA LYS+ 63 3.846% * 0.0086% (0.06 1.0 0.02 0.02) = 0.009% Peak 940 (1.65, 0.02, 16.87 ppm): 13 chemical-shift based assignments, quality = 0.547, support = 1.59, residual support = 6.07: T HB3 MET 97 - QG2 ILE 19 7.692% * 70.5978% (0.41 10.00 1.47 7.98) = 70.598% kept HG2 ARG+ 22 - QG2 ILE 19 7.692% * 24.7868% (0.98 1.00 2.17 1.75) = 24.787% kept HB3 MET 126 - QG2 ILE 19 7.692% * 2.4743% (0.34 1.00 0.62 0.02) = 2.474% kept T HB3 LYS+ 66 - QG2 ILE 19 7.692% * 1.3211% (0.56 10.00 0.02 0.02) = 1.321% kept HG3 ARG+ 84 - QG2 ILE 19 7.692% * 0.1783% (0.76 1.00 0.02 0.02) = 0.178% HB ILE 100 - QG2 ILE 19 7.692% * 0.1228% (0.52 1.00 0.02 0.02) = 0.123% HG LEU 23 - QG2 ILE 19 7.692% * 0.1046% (0.45 1.00 0.02 0.02) = 0.105% HG12 ILE 101 - QG2 ILE 19 7.692% * 0.0876% (0.37 1.00 0.02 0.02) = 0.088% HB ILE 68 - QG2 ILE 19 7.692% * 0.0796% (0.34 1.00 0.02 0.02) = 0.080% HG LEU 43 - QG2 ILE 19 7.692% * 0.0796% (0.34 1.00 0.02 0.02) = 0.080% HB VAL 122 - QG2 ILE 19 7.692% * 0.0796% (0.34 1.00 0.02 0.02) = 0.080% HB3 LYS+ 81 - QG2 ILE 19 7.692% * 0.0519% (0.22 1.00 0.02 0.02) = 0.052% HG3 LYS+ 78 - QG2 ILE 19 7.692% * 0.0360% (0.15 1.00 0.02 0.02) = 0.036% Reference assignment not found: HG13 ILE 19 - QG2 ILE 19 Peak 941 (1.16, 3.74, 58.38 ppm): 5 chemical-shift based assignments, quality = 0.891, support = 4.11, residual support = 150.2: * O T HB2 LEU 43 - HA LEU 43 20.000% * 83.3962% (0.95 10.0 10.00 4.80 179.85) = 83.396% kept T HB2 LEU 74 - HA LEU 43 20.000% * 16.3952% (0.60 1.0 10.00 0.63 1.31) = 16.395% kept HG3 PRO 59 - HA LEU 43 20.000% * 0.0857% (0.98 1.0 1.00 0.02 0.02) = 0.086% QG2 THR 106 - HA LEU 43 20.000% * 0.0775% (0.88 1.0 1.00 0.02 0.02) = 0.077% QB ALA 33 - HA LEU 43 20.000% * 0.0455% (0.52 1.0 1.00 0.02 0.02) = 0.045% Peak 942 (1.09, 0.02, 16.90 ppm): 3 chemical-shift based assignments, quality = 0.771, support = 3.26, residual support = 30.7: * T QG2 THR 95 - QG2 ILE 19 33.333% * 91.0096% (0.81 10.00 3.51 33.75) = 91.010% kept T QG2 THR 61 - QG2 ILE 19 33.333% * 4.6891% (0.15 10.00 0.56 0.47) = 4.689% kept QG2 THR 79 - QG2 ILE 19 33.333% * 4.3013% (0.70 1.00 1.09 0.02) = 4.301% kept Peak 945 (0.69, 0.02, 16.84 ppm): 10 chemical-shift based assignments, quality = 0.952, support = 5.79, residual support = 84.3: T QD1 ILE 19 - QG2 ILE 19 10.000% * 44.2441% (1.00 1.0 10.00 6.46 96.53) = 44.244% kept * O T HG12 ILE 19 - QG2 ILE 19 10.000% * 42.7936% (0.96 10.0 10.00 5.91 96.53) = 42.794% kept QG2 VAL 94 - QG2 ILE 19 10.000% * 7.7013% (0.98 1.0 1.00 3.54 0.38) = 7.701% kept QG2 THR 96 - QG2 ILE 19 10.000% * 4.0746% (0.57 1.0 1.00 3.25 5.70) = 4.075% kept QG1 VAL 62 - QG2 ILE 19 10.000% * 0.5331% (0.53 1.0 1.00 0.46 0.12) = 0.533% QG2 ILE 68 - QG2 ILE 19 10.000% * 0.5289% (0.98 1.0 1.00 0.24 0.02) = 0.529% QG2 ILE 48 - QG2 ILE 19 10.000% * 0.0440% (0.99 1.0 1.00 0.02 0.02) = 0.044% QG2 ILE 101 - QG2 ILE 19 10.000% * 0.0397% (0.89 1.0 1.00 0.02 0.02) = 0.040% QG1 VAL 65 - QG2 ILE 19 10.000% * 0.0339% (0.76 1.0 1.00 0.02 0.02) = 0.034% HG LEU 74 - QG2 ILE 19 10.000% * 0.0068% (0.15 1.0 1.00 0.02 0.02) = 0.007% Peak 946 (0.18, 0.03, 16.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 947 (0.02, 0.02, 16.85 ppm): 1 diagonal assignment: * QG2 ILE 19 - QG2 ILE 19 (1.00) kept Peak 948 (-0.11, 3.73, 58.40 ppm): 1 chemical-shift based assignment, quality = 0.947, support = 5.6, residual support = 179.8: * T QD1 LEU 43 - HA LEU 43 100.000% *100.0000% (0.95 10.00 5.60 179.85) = 100.000% kept Peak 949 (-0.25, 0.03, 16.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 950 (8.25, 0.72, 16.73 ppm): 9 chemical-shift based assignments, quality = 0.548, support = 3.44, residual support = 16.6: * HN SER 49 - QG2 ILE 48 11.111% * 56.1948% (0.46 5.45 28.94) = 56.195% kept HN GLY 58 - QG2 ILE 48 11.111% * 16.3968% (0.59 1.24 1.16) = 16.397% kept HN ASP- 115 - QG2 ILE 48 11.111% * 13.9868% (0.71 0.89 0.62) = 13.987% kept HN LEU 67 - QG2 ILE 48 11.111% * 7.3515% (0.68 0.48 0.17) = 7.351% kept HN THR 106 - QG2 ILE 48 11.111% * 3.6234% (0.75 0.22 0.02) = 3.623% kept HN LYS+ 81 - QG2 ILE 48 11.111% * 2.0050% (0.68 0.13 0.25) = 2.005% kept HN GLU- 12 - QG2 ILE 48 11.111% * 0.3362% (0.75 0.02 0.02) = 0.336% HN ASN 89 - QG2 ILE 48 11.111% * 0.0562% (0.13 0.02 0.02) = 0.056% HN VAL 94 - QG2 ILE 48 11.111% * 0.0493% (0.11 0.02 0.02) = 0.049% Peak 951 (7.31, 0.71, 16.70 ppm): 7 chemical-shift based assignments, quality = 0.572, support = 5.11, residual support = 71.2: * HN ILE 48 - QG2 ILE 48 14.286% * 39.1164% (0.56 6.68 148.88) = 39.116% kept HN VAL 47 - QG2 ILE 48 14.286% * 36.8059% (0.66 5.39 33.51) = 36.806% kept QD PHE 34 - QG2 ILE 48 14.286% * 15.7988% (0.60 2.55 2.63) = 15.799% kept HZ PHE 34 - QG2 ILE 48 14.286% * 3.7086% (0.23 1.56 2.63) = 3.709% kept QE PHE 34 - QG2 ILE 48 14.286% * 3.6298% (0.23 1.53 2.63) = 3.630% kept HN ARG+ 84 - QG2 ILE 48 14.286% * 0.6692% (0.68 0.09 0.02) = 0.669% HZ2 TRP 51 - QG2 ILE 48 14.286% * 0.2713% (0.23 0.11 0.02) = 0.271% Peak 952 (4.37, 0.72, 16.75 ppm): 9 chemical-shift based assignments, quality = 0.708, support = 0.599, residual support = 1.89: HA LYS+ 60 - QG2 ILE 48 11.111% * 41.9810% (0.74 0.89 1.86) = 41.981% kept * HB THR 61 - QG2 ILE 48 11.111% * 25.8701% (0.80 0.51 4.14) = 25.870% kept HA SER 27 - QG2 ILE 48 11.111% * 16.6519% (0.64 0.41 0.25) = 16.652% kept HA2 GLY 26 - QG2 ILE 48 11.111% * 9.9631% (0.78 0.20 0.02) = 9.963% kept HA ASN 57 - QG2 ILE 48 11.111% * 2.6643% (0.12 0.34 0.02) = 2.664% kept HA TRP 51 - QG2 ILE 48 11.111% * 0.9710% (0.76 0.02 0.02) = 0.971% HA ALA 37 - QG2 ILE 48 11.111% * 0.8574% (0.67 0.02 0.02) = 0.857% HA ALA 91 - QG2 ILE 48 11.111% * 0.5811% (0.46 0.02 0.02) = 0.581% HA SER 88 - QG2 ILE 48 11.111% * 0.4602% (0.36 0.02 0.02) = 0.460% Peak 953 (3.44, 0.72, 16.73 ppm): 5 chemical-shift based assignments, quality = 0.772, support = 4.38, residual support = 86.3: * O T HA ILE 48 - QG2 ILE 48 20.000% * 55.2644% (0.80 10.0 10.00 6.67 148.88) = 55.264% kept T HA VAL 62 - QG2 ILE 48 20.000% * 42.3335% (0.75 1.0 10.00 1.63 9.49) = 42.333% kept T HA VAL 40 - QG2 ILE 48 20.000% * 2.3657% (0.40 1.0 10.00 0.17 0.02) = 2.366% kept HA VAL 80 - QG2 ILE 48 20.000% * 0.0253% (0.37 1.0 1.00 0.02 0.02) = 0.025% HD3 PRO 31 - QG2 ILE 48 20.000% * 0.0112% (0.16 1.0 1.00 0.02 0.02) = 0.011% Peak 954 (1.74, 0.72, 16.71 ppm): 6 chemical-shift based assignments, quality = 0.746, support = 5.46, residual support = 115.7: * O T HB ILE 48 - QG2 ILE 48 16.667% * 77.7149% (0.80 10.0 10.00 6.91 148.88) = 77.715% kept T HB3 LEU 23 - QG2 ILE 48 16.667% * 11.8176% (0.74 1.0 10.00 0.33 0.33) = 11.818% kept T HD3 PRO 59 - QG2 ILE 48 16.667% * 9.8632% (0.39 1.0 10.00 0.52 0.02) = 9.863% kept T HB2 LEU 17 - QG2 ILE 48 16.667% * 0.5072% (0.52 1.0 10.00 0.02 0.02) = 0.507% HB2 LYS+ 117 - QG2 ILE 48 16.667% * 0.0703% (0.72 1.0 1.00 0.02 0.02) = 0.070% HB2 GLN 16 - QG2 ILE 48 16.667% * 0.0267% (0.27 1.0 1.00 0.02 0.02) = 0.027% Peak 955 (1.47, 0.72, 16.70 ppm): 7 chemical-shift based assignments, quality = 0.571, support = 3.91, residual support = 81.8: * O HG13 ILE 48 - QG2 ILE 48 14.286% * 54.8248% (0.52 10.0 1.00 6.32 148.88) = 54.825% kept T HB3 LYS+ 44 - QG2 ILE 48 14.286% * 32.5971% (0.64 1.0 10.00 0.98 0.51) = 32.597% kept HB3 LEU 67 - QG2 ILE 48 14.286% * 4.7124% (0.72 1.0 1.00 1.25 0.17) = 4.712% kept QB ALA 70 - QG2 ILE 48 14.286% * 2.5322% (0.61 1.0 1.00 0.79 0.02) = 2.532% kept HG3 LYS+ 60 - QG2 ILE 48 14.286% * 2.4681% (0.37 1.0 1.00 1.27 1.86) = 2.468% kept HG3 PRO 52 - QG2 ILE 48 14.286% * 1.7892% (0.69 1.0 1.00 0.50 0.02) = 1.789% kept HG2 PRO 59 - QG2 ILE 48 14.286% * 1.0762% (0.37 1.0 1.00 0.55 0.02) = 1.076% kept Peak 960 (0.72, 0.72, 16.73 ppm): 1 diagonal assignment: * QG2 ILE 48 - QG2 ILE 48 (0.63) kept Peak 963 (0.40, 0.72, 16.73 ppm): 2 chemical-shift based assignments, quality = 0.706, support = 5.96, residual support = 148.9: * T QD1 ILE 48 - QG2 ILE 48 50.000% * 50.0000% (0.71 1.0 10.00 6.29 148.88) = 50.000% kept O T HG12 ILE 48 - QG2 ILE 48 50.000% * 50.0000% (0.71 10.0 10.00 5.64 148.88) = 50.000% kept Peak 966 (9.09, 4.24, 57.49 ppm): 4 chemical-shift based assignments, quality = 0.309, support = 3.78, residual support = 18.3: * O HN GLU- 54 - HA GLU- 54 25.000% * 98.8067% (0.31 10.0 3.82 18.51) = 98.807% kept HN LYS+ 66 - HA GLU- 54 25.000% * 1.1577% (0.37 1.0 0.20 0.02) = 1.158% kept HN LYS+ 66 - HA ASP- 82 25.000% * 0.0194% (0.06 1.0 0.02 0.02) = 0.019% HN GLU- 54 - HA ASP- 82 25.000% * 0.0162% (0.05 1.0 0.02 0.62) = 0.016% Peak 967 (7.82, 4.24, 57.54 ppm): 6 chemical-shift based assignments, quality = 0.47, support = 2.99, residual support = 12.2: * O HN LYS+ 55 - HA GLU- 54 16.667% * 99.3231% (0.47 10.0 3.01 12.25) = 99.323% kept HN LYS+ 63 - HA GLU- 54 16.667% * 0.6087% (0.60 1.0 0.10 0.02) = 0.609% HN ALA 93 - HA GLU- 54 16.667% * 0.0513% (0.24 1.0 0.02 0.02) = 0.051% HN LYS+ 63 - HA ASP- 82 16.667% * 0.0077% (0.04 1.0 0.02 0.02) = 0.008% HN LYS+ 55 - HA ASP- 82 16.667% * 0.0060% (0.03 1.0 0.02 0.12) = 0.006% HN ALA 93 - HA ASP- 82 16.667% * 0.0031% (0.01 1.0 0.02 0.16) = 0.003% Peak 972 (2.51, 4.29, 57.24 ppm): 35 chemical-shift based assignments, quality = 0.54, support = 1.89, residual support = 19.2: * O HB2 ASP- 36 - HA ASP- 36 2.857% * 95.4227% (0.56 10.0 1.93 20.13) = 95.423% kept HG2 PRO 112 - HA ASP- 36 2.857% * 2.2650% (0.23 1.0 1.09 1.41) = 2.265% kept HG2 PRO 112 - HA GLU- 56 2.857% * 1.3994% (0.12 1.0 1.34 0.14) = 1.399% kept HG2 PRO 112 - HA GLU- 64 2.857% * 0.1882% (0.05 1.0 0.43 0.02) = 0.188% HB3 PRO 59 - HA ASP- 36 2.857% * 0.1138% (0.64 1.0 0.02 0.02) = 0.114% HB3 PRO 59 - HA GLU- 56 2.857% * 0.0574% (0.32 1.0 0.02 0.02) = 0.057% HB2 ASP- 36 - HA GLU- 56 2.857% * 0.0498% (0.28 1.0 0.02 0.02) = 0.050% HB3 PRO 59 - HA SER 85 2.857% * 0.0485% (0.27 1.0 0.02 0.02) = 0.049% HB2 ASP- 36 - HA SER 85 2.857% * 0.0421% (0.24 1.0 0.02 0.02) = 0.042% HB2 ASP- 115 - HA ASP- 36 2.857% * 0.0381% (0.22 1.0 0.02 0.02) = 0.038% HG3 MET 118 - HA ASP- 36 2.857% * 0.0307% (0.17 1.0 0.02 0.02) = 0.031% HG3 PRO 35 - HA ASP- 36 2.857% * 0.0307% (0.17 1.0 0.02 16.61) = 0.031% HB3 PRO 59 - HA GLU- 75 2.857% * 0.0276% (0.16 1.0 0.02 0.22) = 0.028% HB3 PRO 59 - HA GLU- 64 2.857% * 0.0241% (0.14 1.0 0.02 0.02) = 0.024% HB2 ASP- 36 - HA GLU- 75 2.857% * 0.0239% (0.14 1.0 0.02 0.02) = 0.024% HB VAL 40 - HA ASP- 36 2.857% * 0.0216% (0.12 1.0 0.02 0.02) = 0.022% HB2 ASP- 36 - HA GLU- 64 2.857% * 0.0209% (0.12 1.0 0.02 0.02) = 0.021% HB2 ASP- 115 - HA GLU- 56 2.857% * 0.0192% (0.11 1.0 0.02 0.02) = 0.019% HG2 PRO 112 - HA SER 85 2.857% * 0.0177% (0.10 1.0 0.02 0.02) = 0.018% HB2 ASP- 115 - HA SER 85 2.857% * 0.0162% (0.09 1.0 0.02 0.02) = 0.016% HG3 MET 118 - HA GLU- 56 2.857% * 0.0155% (0.09 1.0 0.02 0.02) = 0.016% HG3 PRO 35 - HA GLU- 56 2.857% * 0.0155% (0.09 1.0 0.02 0.02) = 0.016% HG3 MET 118 - HA SER 85 2.857% * 0.0131% (0.07 1.0 0.02 0.02) = 0.013% HG3 PRO 35 - HA SER 85 2.857% * 0.0131% (0.07 1.0 0.02 0.02) = 0.013% HB VAL 40 - HA GLU- 56 2.857% * 0.0109% (0.06 1.0 0.02 0.53) = 0.011% HG2 PRO 112 - HA GLU- 75 2.857% * 0.0100% (0.06 1.0 0.02 0.30) = 0.010% HB2 ASP- 115 - HA GLU- 75 2.857% * 0.0092% (0.05 1.0 0.02 0.02) = 0.009% HB VAL 40 - HA SER 85 2.857% * 0.0092% (0.05 1.0 0.02 0.02) = 0.009% HB2 ASP- 115 - HA GLU- 64 2.857% * 0.0081% (0.05 1.0 0.02 0.02) = 0.008% HG3 MET 118 - HA GLU- 75 2.857% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% HG3 PRO 35 - HA GLU- 75 2.857% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% HG3 MET 118 - HA GLU- 64 2.857% * 0.0065% (0.04 1.0 0.02 0.02) = 0.007% HG3 PRO 35 - HA GLU- 64 2.857% * 0.0065% (0.04 1.0 0.02 0.02) = 0.007% HB VAL 40 - HA GLU- 75 2.857% * 0.0052% (0.03 1.0 0.02 0.85) = 0.005% HB VAL 40 - HA GLU- 64 2.857% * 0.0046% (0.03 1.0 0.02 0.02) = 0.005% Peak 975 (8.82, 4.27, 57.06 ppm): 27 chemical-shift based assignments, quality = 0.883, support = 3.12, residual support = 9.86: * O HN ASN 57 - HA GLU- 56 3.704% * 88.6303% (0.89 10.0 3.44 11.12) = 88.630% kept HN ASN 57 - HA GLU- 75 3.704% * 3.6794% (0.82 1.0 0.90 0.02) = 3.679% kept HN LYS+ 60 - HA GLU- 75 3.704% * 3.0415% (0.91 1.0 0.67 0.18) = 3.042% kept HN LYS+ 32 - HA GLU- 75 3.704% * 2.6339% (0.89 1.0 0.60 0.02) = 2.634% kept HN ASN 57 - HA GLU- 64 3.704% * 1.0928% (0.78 1.0 0.28 0.02) = 1.093% kept HN LYS+ 60 - HA GLU- 56 3.704% * 0.0980% (0.99 1.0 0.02 0.02) = 0.098% HN LYS+ 32 - HA GLU- 56 3.704% * 0.0954% (0.96 1.0 0.02 0.02) = 0.095% HN LYS+ 60 - HA SER 85 3.704% * 0.0870% (0.88 1.0 0.02 0.02) = 0.087% HN LYS+ 60 - HA GLU- 64 3.704% * 0.0856% (0.86 1.0 0.02 0.02) = 0.086% HN LYS+ 32 - HA SER 85 3.704% * 0.0847% (0.86 1.0 0.02 0.02) = 0.085% HN LYS+ 32 - HA GLU- 64 3.704% * 0.0833% (0.84 1.0 0.02 0.02) = 0.083% HN ASN 57 - HA SER 85 3.704% * 0.0787% (0.79 1.0 0.02 0.02) = 0.079% HN LYS+ 60 - HA GLU- 107 3.704% * 0.0348% (0.35 1.0 0.02 0.02) = 0.035% HN LYS+ 32 - HA GLU- 107 3.704% * 0.0339% (0.34 1.0 0.02 0.02) = 0.034% HN ASN 57 - HA GLU- 107 3.704% * 0.0315% (0.32 1.0 0.02 0.02) = 0.032% HN LYS+ 60 - HA ARG+ 84 3.704% * 0.0300% (0.30 1.0 0.02 0.02) = 0.030% HN LYS+ 32 - HA ARG+ 84 3.704% * 0.0292% (0.30 1.0 0.02 0.02) = 0.029% HN ASN 57 - HA ARG+ 84 3.704% * 0.0272% (0.27 1.0 0.02 0.02) = 0.027% HN LYS+ 60 - HA LYS+ 108 3.704% * 0.0174% (0.18 1.0 0.02 0.02) = 0.017% HN LYS+ 32 - HA LYS+ 108 3.704% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% HN LYS+ 60 - HA GLU- 10 3.704% * 0.0169% (0.17 1.0 0.02 0.02) = 0.017% HN LYS+ 32 - HA GLU- 10 3.704% * 0.0165% (0.17 1.0 0.02 0.02) = 0.016% HN ASN 57 - HA LYS+ 108 3.704% * 0.0158% (0.16 1.0 0.02 0.02) = 0.016% HN ASN 57 - HA GLU- 10 3.704% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% HN LYS+ 60 - HA ASP- 36 3.704% * 0.0082% (0.08 1.0 0.02 0.02) = 0.008% HN LYS+ 32 - HA ASP- 36 3.704% * 0.0080% (0.08 1.0 0.02 0.02) = 0.008% HN ASN 57 - HA ASP- 36 3.704% * 0.0074% (0.08 1.0 0.02 0.02) = 0.007% Peak 977 (7.51, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.599, support = 3.61, residual support = 8.28: * HE3 TRP 51 - QD1 ILE 29 25.000% * 49.0584% (0.63 3.73 8.35) = 49.058% kept HE3 TRP 51 - QG1 VAL 13 25.000% * 46.7204% (0.59 3.79 8.96) = 46.720% kept HN ASP- 82 - QD1 ILE 29 25.000% * 3.3911% (0.47 0.34 0.02) = 3.391% kept HN ASP- 82 - QG1 VAL 13 25.000% * 0.8301% (0.44 0.09 0.02) = 0.830% Peak 980 (4.35, 0.83, 15.60 ppm): 12 chemical-shift based assignments, quality = 0.263, support = 3.33, residual support = 7.74: HA TRP 51 - QG1 VAL 13 8.333% * 45.1590% (0.27 3.77 8.96) = 45.159% kept * HA TRP 51 - QD1 ILE 29 8.333% * 43.9504% (0.27 3.63 8.35) = 43.950% kept HA SER 27 - QD1 ILE 29 8.333% * 4.3432% (0.15 0.65 0.39) = 4.343% kept HB THR 61 - QD1 ILE 29 8.333% * 2.5402% (0.48 0.12 0.20) = 2.540% kept HA LYS+ 60 - QG1 VAL 13 8.333% * 1.5001% (0.24 0.14 0.02) = 1.500% kept HA2 GLY 26 - QD1 ILE 29 8.333% * 0.5277% (0.59 0.02 0.02) = 0.528% HA2 GLY 26 - QG1 VAL 13 8.333% * 0.5224% (0.59 0.02 0.02) = 0.522% HA SER 27 - QG1 VAL 13 8.333% * 0.5177% (0.15 0.08 0.02) = 0.518% HB THR 61 - QG1 VAL 13 8.333% * 0.4193% (0.47 0.02 0.02) = 0.419% HA LYS+ 60 - QD1 ILE 29 8.333% * 0.2169% (0.24 0.02 0.02) = 0.217% HA ALA 37 - QD1 ILE 29 8.333% * 0.1524% (0.17 0.02 0.02) = 0.152% HA ALA 37 - QG1 VAL 13 8.333% * 0.1508% (0.17 0.02 0.02) = 0.151% Peak 984 (4.22, 4.22, 56.96 ppm): 4 diagonal assignments: HA GLU- 12 - HA GLU- 12 (0.89) kept HA LYS+ 108 - HA LYS+ 108 (0.38) kept HA GLU- 10 - HA GLU- 10 (0.37) kept HA ASP- 82 - HA ASP- 82 (0.21) kept Reference assignment not found: HA LYS+ 117 - HA LYS+ 117 Peak 988 (3.28, 0.83, 15.62 ppm): 8 chemical-shift based assignments, quality = 0.926, support = 3.06, residual support = 6.65: * T HD2 PRO 52 - QD1 ILE 29 12.500% * 47.8664% (0.95 10.00 2.59 3.61) = 47.866% kept T HD2 PRO 52 - QG1 VAL 13 12.500% * 46.3937% (0.92 10.00 3.71 8.41) = 46.394% kept HD3 ARG+ 22 - QD1 ILE 29 12.500% * 4.9031% (0.97 1.00 1.99 20.80) = 4.903% kept HD3 ARG+ 22 - QG1 VAL 13 12.500% * 0.6524% (0.94 1.00 0.27 0.02) = 0.652% HE3 LYS+ 63 - QD1 ILE 29 12.500% * 0.0492% (0.97 1.00 0.02 0.02) = 0.049% HE3 LYS+ 63 - QG1 VAL 13 12.500% * 0.0476% (0.94 1.00 0.02 0.02) = 0.048% HD3 ARG+ 53 - QD1 ILE 29 12.500% * 0.0445% (0.88 1.00 0.02 0.02) = 0.044% HD3 ARG+ 53 - QG1 VAL 13 12.500% * 0.0431% (0.85 1.00 0.02 0.02) = 0.043% Peak 989 (3.08, 0.83, 15.62 ppm): 4 chemical-shift based assignments, quality = 0.389, support = 3.03, residual support = 8.58: * HB3 TRP 51 - QD1 ILE 29 25.000% * 49.6709% (0.40 3.01 8.35) = 49.671% kept HB3 TRP 51 - QG1 VAL 13 25.000% * 49.4992% (0.39 3.10 8.96) = 49.499% kept HA VAL 47 - QD1 ILE 29 25.000% * 0.4217% (0.51 0.02 0.02) = 0.422% HA VAL 47 - QG1 VAL 13 25.000% * 0.4082% (0.49 0.02 0.02) = 0.408% Peak 990 (2.64, 4.21, 57.06 ppm): 20 chemical-shift based assignments, quality = 0.84, support = 3.21, residual support = 34.6: * O HB3 ASP- 82 - HA ASP- 82 5.000% * 99.5242% (0.84 10.0 3.23 34.80) = 99.524% kept HB3 ASP- 36 - HA ASP- 82 5.000% * 0.0925% (0.78 1.0 0.02 0.02) = 0.092% HB3 ASP- 82 - HA GLU- 12 5.000% * 0.0738% (0.63 1.0 0.02 0.10) = 0.074% HB3 ASP- 36 - HA GLU- 12 5.000% * 0.0686% (0.58 1.0 0.02 0.02) = 0.069% HE2 LYS+ 120 - HA ASP- 82 5.000% * 0.0352% (0.30 1.0 0.02 0.02) = 0.035% HB2 ASP- 25 - HA ASP- 82 5.000% * 0.0318% (0.27 1.0 0.02 0.02) = 0.032% HE2 LYS+ 120 - HA GLU- 12 5.000% * 0.0261% (0.22 1.0 0.02 0.02) = 0.026% HB2 ASP- 25 - HA GLU- 12 5.000% * 0.0236% (0.20 1.0 0.02 0.02) = 0.024% HE3 LYS+ 20 - HA ASP- 82 5.000% * 0.0230% (0.19 1.0 0.02 0.02) = 0.023% HE3 LYS+ 20 - HA GLU- 12 5.000% * 0.0170% (0.14 1.0 0.02 0.02) = 0.017% HB3 ASP- 82 - HA LYS+ 108 5.000% * 0.0151% (0.13 1.0 0.02 0.02) = 0.015% HB3 ASP- 82 - HA GLU- 10 5.000% * 0.0146% (0.12 1.0 0.02 0.02) = 0.015% HB3 ASP- 36 - HA LYS+ 108 5.000% * 0.0140% (0.12 1.0 0.02 0.02) = 0.014% HB3 ASP- 36 - HA GLU- 10 5.000% * 0.0136% (0.12 1.0 0.02 0.02) = 0.014% HE2 LYS+ 120 - HA LYS+ 108 5.000% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% HE2 LYS+ 120 - HA GLU- 10 5.000% * 0.0052% (0.04 1.0 0.02 0.02) = 0.005% HB2 ASP- 25 - HA LYS+ 108 5.000% * 0.0048% (0.04 1.0 0.02 0.02) = 0.005% HB2 ASP- 25 - HA GLU- 10 5.000% * 0.0047% (0.04 1.0 0.02 0.02) = 0.005% HE3 LYS+ 20 - HA LYS+ 108 5.000% * 0.0035% (0.03 1.0 0.02 0.02) = 0.003% HE3 LYS+ 20 - HA GLU- 10 5.000% * 0.0034% (0.03 1.0 0.02 0.02) = 0.003% Peak 991 (2.28, 4.22, 56.75 ppm): 80 chemical-shift based assignments, quality = 0.264, support = 1.49, residual support = 7.06: T HG3 GLU- 107 - HA LYS+ 108 1.250% * 35.4682% (0.30 1.0 10.00 1.71 5.96) = 35.468% kept O T HG3 GLU- 107 - HA GLU- 107 1.250% * 17.8373% (0.13 10.0 10.00 2.19 6.21) = 17.837% kept * O T HG3 GLU- 75 - HA GLU- 75 1.250% * 9.6880% (0.07 10.0 10.00 2.62 24.11) = 9.688% kept T HG3 GLU- 75 - HA GLU- 107 1.250% * 5.8915% (0.28 1.0 10.00 0.30 0.02) = 5.892% kept T HG3 GLU- 75 - HA ASN 76 1.250% * 5.4986% (0.09 1.0 10.00 0.94 0.02) = 5.499% kept T HG3 GLU- 75 - HA LYS+ 108 1.250% * 4.3224% (0.65 1.0 10.00 0.10 0.02) = 4.322% kept T HG3 GLU- 75 - HA GLU- 12 1.250% * 3.7528% (0.59 1.0 10.00 0.09 0.02) = 3.753% kept HG2 PRO 112 - HA GLU- 12 1.250% * 2.7671% (0.63 1.0 1.00 0.63 0.22) = 2.767% kept O T HG2 GLU- 64 - HA GLU- 64 1.250% * 2.6214% (0.02 10.0 10.00 4.74 57.09) = 2.621% kept HB3 LYS+ 117 - HA GLU- 12 1.250% * 1.7685% (0.59 1.0 1.00 0.43 0.02) = 1.768% kept HB2 LYS+ 44 - HA LYS+ 108 1.250% * 1.7218% (0.63 1.0 1.00 0.39 0.02) = 1.722% kept HB2 LYS+ 44 - HA GLU- 10 1.250% * 1.3913% (0.64 1.0 1.00 0.32 0.02) = 1.391% kept HG2 PRO 112 - HA GLU- 10 1.250% * 1.1619% (0.71 1.0 1.00 0.24 0.02) = 1.162% kept T HG3 GLU- 75 - HA GLU- 10 1.250% * 0.9111% (0.66 1.0 10.00 0.02 0.02) = 0.911% T HG3 GLU- 54 - HA GLU- 10 1.250% * 0.4945% (0.36 1.0 10.00 0.02 0.02) = 0.495% T HG3 GLU- 54 - HA LYS+ 108 1.250% * 0.4900% (0.35 1.0 10.00 0.02 0.02) = 0.490% T HG3 GLU- 54 - HA GLU- 12 1.250% * 0.4425% (0.32 1.0 10.00 0.02 0.02) = 0.443% T HG3 GLU- 107 - HA GLU- 10 1.250% * 0.4177% (0.30 1.0 10.00 0.02 0.02) = 0.418% T HG3 GLU- 107 - HA GLU- 12 1.250% * 0.3737% (0.27 1.0 10.00 0.02 0.02) = 0.374% HG2 PRO 112 - HA GLU- 64 1.250% * 0.2430% (0.08 1.0 1.00 0.43 0.02) = 0.243% T HG3 GLU- 54 - HA GLU- 107 1.250% * 0.2112% (0.15 1.0 10.00 0.02 0.02) = 0.211% T HG3 GLU- 75 - HA ASN 119 1.250% * 0.1575% (0.11 1.0 10.00 0.02 0.02) = 0.157% HG2 PRO 112 - HA ASN 76 1.250% * 0.1172% (0.09 1.0 1.00 0.19 0.02) = 0.117% T HG3 GLU- 75 - HA GLU- 64 1.250% * 0.1056% (0.08 1.0 10.00 0.02 0.02) = 0.106% HB3 PRO 112 - HA GLU- 10 1.250% * 0.0997% (0.72 1.0 1.00 0.02 0.02) = 0.100% HB3 PRO 112 - HA LYS+ 108 1.250% * 0.0988% (0.71 1.0 1.00 0.02 0.02) = 0.099% HG2 PRO 112 - HA LYS+ 108 1.250% * 0.0968% (0.70 1.0 1.00 0.02 0.02) = 0.097% T HG2 GLU- 64 - HA GLU- 107 1.250% * 0.0966% (0.07 1.0 10.00 0.02 0.02) = 0.097% HB3 LYS+ 117 - HA GLU- 10 1.250% * 0.0911% (0.66 1.0 1.00 0.02 0.02) = 0.091% HB3 LYS+ 117 - HA LYS+ 108 1.250% * 0.0903% (0.65 1.0 1.00 0.02 0.02) = 0.090% HB3 PRO 112 - HA GLU- 12 1.250% * 0.0892% (0.65 1.0 1.00 0.02 0.22) = 0.089% T HG3 GLU- 54 - HA ASN 119 1.250% * 0.0855% (0.06 1.0 10.00 0.02 0.02) = 0.085% HB VAL 80 - HA GLU- 10 1.250% * 0.0849% (0.61 1.0 1.00 0.02 0.02) = 0.085% HB VAL 80 - HA LYS+ 108 1.250% * 0.0841% (0.61 1.0 1.00 0.02 0.02) = 0.084% HB2 LYS+ 44 - HA GLU- 12 1.250% * 0.0789% (0.57 1.0 1.00 0.02 0.02) = 0.079% HB VAL 80 - HA GLU- 12 1.250% * 0.0759% (0.55 1.0 1.00 0.02 0.02) = 0.076% T HG3 GLU- 107 - HA ASN 119 1.250% * 0.0722% (0.05 1.0 10.00 0.02 0.02) = 0.072% T HG3 GLU- 54 - HA ASN 76 1.250% * 0.0638% (0.05 1.0 10.00 0.02 0.02) = 0.064% T HG3 GLU- 54 - HA GLU- 64 1.250% * 0.0573% (0.04 1.0 10.00 0.02 0.02) = 0.057% T HG3 GLU- 107 - HA ASN 76 1.250% * 0.0539% (0.04 1.0 10.00 0.02 0.02) = 0.054% T HG3 GLU- 54 - HA GLU- 75 1.250% * 0.0526% (0.04 1.0 10.00 0.02 0.02) = 0.053% T HG3 GLU- 107 - HA GLU- 64 1.250% * 0.0484% (0.04 1.0 10.00 0.02 0.02) = 0.048% T HG3 GLU- 107 - HA GLU- 75 1.250% * 0.0444% (0.03 1.0 10.00 0.02 0.02) = 0.044% HB3 PRO 112 - HA GLU- 107 1.250% * 0.0426% (0.31 1.0 1.00 0.02 0.02) = 0.043% HG2 PRO 112 - HA GLU- 107 1.250% * 0.0417% (0.30 1.0 1.00 0.02 0.02) = 0.042% T HG2 GLU- 64 - HA ASN 119 1.250% * 0.0391% (0.03 1.0 10.00 0.02 0.02) = 0.039% HB3 LYS+ 117 - HA GLU- 107 1.250% * 0.0389% (0.28 1.0 1.00 0.02 0.02) = 0.039% HB2 LYS+ 44 - HA GLU- 107 1.250% * 0.0376% (0.27 1.0 1.00 0.02 0.02) = 0.038% HB VAL 80 - HA GLU- 107 1.250% * 0.0362% (0.26 1.0 1.00 0.02 0.02) = 0.036% T HG2 GLU- 64 - HA ASN 76 1.250% * 0.0292% (0.02 1.0 10.00 0.02 0.02) = 0.029% HB3 PRO 116 - HA GLU- 10 1.250% * 0.0282% (0.20 1.0 1.00 0.02 0.02) = 0.028% HB3 PRO 116 - HA LYS+ 108 1.250% * 0.0280% (0.20 1.0 1.00 0.02 0.02) = 0.028% HB3 PRO 116 - HA GLU- 12 1.250% * 0.0253% (0.18 1.0 1.00 0.02 0.02) = 0.025% T HG2 GLU- 64 - HA GLU- 75 1.250% * 0.0241% (0.02 1.0 10.00 0.02 0.02) = 0.024% HG2 GLU- 64 - HA GLU- 10 1.250% * 0.0226% (0.16 1.0 1.00 0.02 0.02) = 0.023% HG2 GLU- 64 - HA LYS+ 108 1.250% * 0.0224% (0.16 1.0 1.00 0.02 0.02) = 0.022% HG2 GLU- 64 - HA GLU- 12 1.250% * 0.0202% (0.15 1.0 1.00 0.02 0.02) = 0.020% HB3 PRO 112 - HA ASN 119 1.250% * 0.0172% (0.12 1.0 1.00 0.02 0.02) = 0.017% HG2 PRO 112 - HA ASN 119 1.250% * 0.0169% (0.12 1.0 1.00 0.02 0.02) = 0.017% HB3 LYS+ 117 - HA ASN 119 1.250% * 0.0157% (0.11 1.0 1.00 0.02 0.02) = 0.016% HB2 LYS+ 44 - HA ASN 119 1.250% * 0.0152% (0.11 1.0 1.00 0.02 0.02) = 0.015% HB VAL 80 - HA ASN 119 1.250% * 0.0147% (0.11 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 112 - HA ASN 76 1.250% * 0.0129% (0.09 1.0 1.00 0.02 0.02) = 0.013% HB3 PRO 116 - HA GLU- 107 1.250% * 0.0121% (0.09 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 117 - HA ASN 76 1.250% * 0.0118% (0.09 1.0 1.00 0.02 0.02) = 0.012% HB3 PRO 112 - HA GLU- 64 1.250% * 0.0116% (0.08 1.0 1.00 0.02 0.02) = 0.012% HB2 LYS+ 44 - HA ASN 76 1.250% * 0.0114% (0.08 1.0 1.00 0.02 0.02) = 0.011% HB VAL 80 - HA ASN 76 1.250% * 0.0110% (0.08 1.0 1.00 0.02 0.02) = 0.011% HB3 PRO 112 - HA GLU- 75 1.250% * 0.0106% (0.08 1.0 1.00 0.02 0.30) = 0.011% HB3 LYS+ 117 - HA GLU- 64 1.250% * 0.0106% (0.08 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HA GLU- 75 1.250% * 0.0104% (0.08 1.0 1.00 0.02 0.30) = 0.010% HB2 LYS+ 44 - HA GLU- 64 1.250% * 0.0102% (0.07 1.0 1.00 0.02 0.02) = 0.010% HB VAL 80 - HA GLU- 64 1.250% * 0.0098% (0.07 1.0 1.00 0.02 0.02) = 0.010% HB3 LYS+ 117 - HA GLU- 75 1.250% * 0.0097% (0.07 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 44 - HA GLU- 75 1.250% * 0.0094% (0.07 1.0 1.00 0.02 3.27) = 0.009% HB VAL 80 - HA GLU- 75 1.250% * 0.0090% (0.07 1.0 1.00 0.02 0.02) = 0.009% HB3 PRO 116 - HA ASN 119 1.250% * 0.0049% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 116 - HA ASN 76 1.250% * 0.0036% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 PRO 116 - HA GLU- 64 1.250% * 0.0033% (0.02 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 116 - HA GLU- 75 1.250% * 0.0030% (0.02 1.0 1.00 0.02 0.02) = 0.003% Peak 992 (2.21, 4.22, 56.98 ppm): 70 chemical-shift based assignments, quality = 0.358, support = 1.13, residual support = 1.7: T HG3 GLU- 109 - HA LYS+ 108 1.429% * 34.9167% (0.20 10.00 2.44 4.61) = 34.917% kept T HB2 GLU- 50 - HA GLU- 12 1.429% * 22.6919% (0.77 10.00 0.34 0.02) = 22.692% kept T HG3 GLU- 109 - HA GLU- 12 1.429% * 6.8362% (0.47 10.00 0.17 0.02) = 6.836% kept T HB3 GLU- 45 - HA LYS+ 108 1.429% * 5.9025% (0.06 10.00 1.07 0.59) = 5.903% kept T HB3 GLU- 75 - HA GLU- 12 1.429% * 5.5217% (0.13 10.00 0.47 0.02) = 5.522% kept HG2 PRO 112 - HA GLU- 12 1.429% * 5.3103% (0.96 1.00 0.63 0.22) = 5.310% kept T HB3 GLU- 45 - HA GLU- 10 1.429% * 3.9531% (0.06 10.00 0.73 0.85) = 3.953% kept T HG3 GLU- 109 - HA GLU- 107 1.429% * 3.2265% (0.05 10.00 0.68 0.02) = 3.226% kept HG2 PRO 112 - HA ASP- 82 1.429% * 2.4547% (0.58 1.00 0.48 0.02) = 2.455% kept T HB3 GLU- 75 - HA ASP- 82 1.429% * 1.9362% (0.08 10.00 0.27 0.02) = 1.936% kept T HB3 GLU- 75 - HA GLU- 10 1.429% * 1.2122% (0.06 10.00 0.25 0.02) = 1.212% kept HG2 PRO 112 - HA GLU- 10 1.429% * 0.8357% (0.40 1.00 0.24 0.02) = 0.836% T HB2 GLU- 50 - HA LYS+ 108 1.429% * 0.5744% (0.33 10.00 0.02 0.02) = 0.574% T HB2 GLU- 50 - HA GLU- 10 1.429% * 0.5634% (0.32 10.00 0.02 0.02) = 0.563% T HG3 GLU- 109 - HA ASP- 82 1.429% * 0.5001% (0.29 10.00 0.02 0.02) = 0.500% T HG3 GLU- 109 - HA GLU- 10 1.429% * 0.3425% (0.20 10.00 0.02 0.02) = 0.342% T HB3 GLU- 45 - HA GLU- 12 1.429% * 0.2592% (0.15 10.00 0.02 0.02) = 0.259% HG3 MET 126 - HA GLU- 12 1.429% * 0.1621% (0.92 1.00 0.02 0.02) = 0.162% T HB2 GLU- 50 - HA GLU- 107 1.429% * 0.1568% (0.09 10.00 0.02 0.02) = 0.157% HA1 GLY 58 - HA GLU- 12 1.429% * 0.1507% (0.86 1.00 0.02 0.02) = 0.151% HG3 MET 97 - HA GLU- 12 1.429% * 0.1507% (0.86 1.00 0.02 0.02) = 0.151% HG3 GLU- 18 - HA GLU- 12 1.429% * 0.1220% (0.70 1.00 0.02 0.02) = 0.122% HG2 MET 126 - HA GLU- 12 1.429% * 0.1154% (0.66 1.00 0.02 0.02) = 0.115% HG3 GLN 102 - HA GLU- 12 1.429% * 0.1019% (0.58 1.00 0.02 0.02) = 0.102% T HB3 GLU- 75 - HA LYS+ 108 1.429% * 0.1005% (0.06 10.00 0.02 0.02) = 0.101% HG3 MET 126 - HA ASP- 82 1.429% * 0.0992% (0.57 1.00 0.02 0.02) = 0.099% HG3 MET 97 - HA ASP- 82 1.429% * 0.0921% (0.53 1.00 0.02 0.02) = 0.092% HA1 GLY 58 - HA ASP- 82 1.429% * 0.0921% (0.53 1.00 0.02 0.02) = 0.092% HB2 GLU- 50 - HA ASP- 82 1.429% * 0.0823% (0.47 1.00 0.02 0.02) = 0.082% HB2 PRO 52 - HA GLU- 12 1.429% * 0.0818% (0.47 1.00 0.02 0.02) = 0.082% HG3 GLU- 18 - HA ASP- 82 1.429% * 0.0746% (0.43 1.00 0.02 0.02) = 0.075% HG2 PRO 112 - HA LYS+ 108 1.429% * 0.0716% (0.41 1.00 0.02 0.02) = 0.072% HG2 MET 126 - HA ASP- 82 1.429% * 0.0706% (0.40 1.00 0.02 0.02) = 0.071% HG3 MET 126 - HA LYS+ 108 1.429% * 0.0692% (0.39 1.00 0.02 0.02) = 0.069% HG3 MET 126 - HA GLU- 10 1.429% * 0.0679% (0.39 1.00 0.02 0.02) = 0.068% HG3 MET 97 - HA LYS+ 108 1.429% * 0.0643% (0.37 1.00 0.02 0.02) = 0.064% HA1 GLY 58 - HA LYS+ 108 1.429% * 0.0643% (0.37 1.00 0.02 0.02) = 0.064% HG3 MET 97 - HA GLU- 10 1.429% * 0.0631% (0.36 1.00 0.02 0.02) = 0.063% HA1 GLY 58 - HA GLU- 10 1.429% * 0.0631% (0.36 1.00 0.02 0.02) = 0.063% HG3 GLN 102 - HA ASP- 82 1.429% * 0.0623% (0.36 1.00 0.02 0.02) = 0.062% HG3 GLU- 18 - HA LYS+ 108 1.429% * 0.0521% (0.30 1.00 0.02 0.02) = 0.052% HG3 GLU- 18 - HA GLU- 10 1.429% * 0.0511% (0.29 1.00 0.02 0.02) = 0.051% HB2 PRO 52 - HA ASP- 82 1.429% * 0.0500% (0.29 1.00 0.02 0.02) = 0.050% HG2 MET 126 - HA LYS+ 108 1.429% * 0.0493% (0.28 1.00 0.02 0.02) = 0.049% HG2 MET 126 - HA GLU- 10 1.429% * 0.0483% (0.28 1.00 0.02 0.02) = 0.048% HG3 GLN 102 - HA LYS+ 108 1.429% * 0.0435% (0.25 1.00 0.02 0.02) = 0.044% HG3 GLN 102 - HA GLU- 10 1.429% * 0.0427% (0.24 1.00 0.02 0.02) = 0.043% HB VAL 99 - HA GLU- 12 1.429% * 0.0374% (0.21 1.00 0.02 0.02) = 0.037% HB2 PRO 52 - HA LYS+ 108 1.429% * 0.0349% (0.20 1.00 0.02 0.02) = 0.035% HB2 PRO 52 - HA GLU- 10 1.429% * 0.0342% (0.20 1.00 0.02 0.02) = 0.034% HB3 PRO 104 - HA GLU- 12 1.429% * 0.0332% (0.19 1.00 0.02 0.02) = 0.033% T HB3 GLU- 45 - HA GLU- 107 1.429% * 0.0302% (0.02 10.00 0.02 0.02) = 0.030% T HB3 GLU- 75 - HA GLU- 107 1.429% * 0.0274% (0.02 10.00 0.02 0.02) = 0.027% HB VAL 99 - HA ASP- 82 1.429% * 0.0229% (0.13 1.00 0.02 0.02) = 0.023% HB3 PRO 104 - HA ASP- 82 1.429% * 0.0203% (0.12 1.00 0.02 0.02) = 0.020% HG2 PRO 112 - HA GLU- 107 1.429% * 0.0195% (0.11 1.00 0.02 0.02) = 0.020% HG3 MET 126 - HA GLU- 107 1.429% * 0.0189% (0.11 1.00 0.02 0.02) = 0.019% HG3 MET 97 - HA GLU- 107 1.429% * 0.0176% (0.10 1.00 0.02 0.02) = 0.018% HA1 GLY 58 - HA GLU- 107 1.429% * 0.0176% (0.10 1.00 0.02 0.02) = 0.018% HB VAL 99 - HA LYS+ 108 1.429% * 0.0160% (0.09 1.00 0.02 0.02) = 0.016% HB3 GLU- 45 - HA ASP- 82 1.429% * 0.0159% (0.09 1.00 0.02 0.02) = 0.016% HB VAL 99 - HA GLU- 10 1.429% * 0.0157% (0.09 1.00 0.02 0.02) = 0.016% HG3 GLU- 18 - HA GLU- 107 1.429% * 0.0142% (0.08 1.00 0.02 0.02) = 0.014% HB3 PRO 104 - HA LYS+ 108 1.429% * 0.0142% (0.08 1.00 0.02 0.02) = 0.014% HB3 PRO 104 - HA GLU- 10 1.429% * 0.0139% (0.08 1.00 0.02 0.02) = 0.014% HG2 MET 126 - HA GLU- 107 1.429% * 0.0135% (0.08 1.00 0.02 0.02) = 0.013% HG3 GLN 102 - HA GLU- 107 1.429% * 0.0119% (0.07 1.00 0.02 0.02) = 0.012% HB2 PRO 52 - HA GLU- 107 1.429% * 0.0095% (0.05 1.00 0.02 0.02) = 0.010% HB VAL 99 - HA GLU- 107 1.429% * 0.0044% (0.02 1.00 0.02 0.02) = 0.004% HB3 PRO 104 - HA GLU- 107 1.429% * 0.0039% (0.02 1.00 0.02 0.02) = 0.004% Peak 994 (1.91, 0.83, 15.60 ppm): 26 chemical-shift based assignments, quality = 0.769, support = 2.97, residual support = 50.8: * O HB ILE 29 - QD1 ILE 29 3.846% * 81.5336% (0.79 10.0 1.00 3.51 61.32) = 81.534% kept HB2 LEU 23 - QD1 ILE 29 3.846% * 5.0434% (0.93 1.0 1.00 1.05 14.52) = 5.043% kept HB ILE 29 - QG1 VAL 13 3.846% * 2.9121% (0.78 1.0 1.00 0.72 0.02) = 2.912% kept HB2 LEU 23 - QG1 VAL 13 3.846% * 2.8449% (0.92 1.0 1.00 0.60 0.02) = 2.845% kept HB3 ARG+ 53 - QG1 VAL 13 3.846% * 1.7748% (0.63 1.0 1.00 0.54 0.02) = 1.775% kept T HG2 GLU- 18 - QG1 VAL 13 3.846% * 1.3591% (0.27 1.0 10.00 0.10 0.02) = 1.359% kept HB2 PRO 112 - QD1 ILE 29 3.846% * 1.3216% (0.88 1.0 1.00 0.29 0.85) = 1.322% kept HG2 PRO 112 - QD1 ILE 29 3.846% * 1.0239% (0.30 1.0 1.00 0.66 0.85) = 1.024% kept HB2 PRO 112 - QG1 VAL 13 3.846% * 0.4448% (0.87 1.0 1.00 0.10 0.02) = 0.445% T HG2 GLU- 18 - QD1 ILE 29 3.846% * 0.2831% (0.27 1.0 10.00 0.02 0.02) = 0.283% HG2 PRO 112 - QG1 VAL 13 3.846% * 0.2727% (0.30 1.0 1.00 0.18 0.02) = 0.273% T HB2 GLU- 75 - QD1 ILE 29 3.846% * 0.2015% (0.19 1.0 10.00 0.02 0.02) = 0.202% T HB2 GLU- 75 - QG1 VAL 13 3.846% * 0.1995% (0.19 1.0 10.00 0.02 0.56) = 0.200% HD3 LYS+ 63 - QD1 ILE 29 3.846% * 0.1009% (0.98 1.0 1.00 0.02 0.02) = 0.101% HD3 LYS+ 63 - QG1 VAL 13 3.846% * 0.0999% (0.97 1.0 1.00 0.02 0.02) = 0.100% HB3 GLN 102 - QD1 ILE 29 3.846% * 0.0913% (0.88 1.0 1.00 0.02 0.02) = 0.091% HB3 GLN 102 - QG1 VAL 13 3.846% * 0.0904% (0.87 1.0 1.00 0.02 0.02) = 0.090% HB3 ARG+ 53 - QD1 ILE 29 3.846% * 0.0659% (0.64 1.0 1.00 0.02 0.02) = 0.066% HB3 CYS 123 - QD1 ILE 29 3.846% * 0.0496% (0.48 1.0 1.00 0.02 0.02) = 0.050% HB3 CYS 123 - QG1 VAL 13 3.846% * 0.0491% (0.47 1.0 1.00 0.02 0.02) = 0.049% HB2 PRO 116 - QD1 ILE 29 3.846% * 0.0457% (0.44 1.0 1.00 0.02 0.02) = 0.046% HB2 GLU- 10 - QD1 ILE 29 3.846% * 0.0457% (0.44 1.0 1.00 0.02 0.02) = 0.046% HB2 PRO 116 - QG1 VAL 13 3.846% * 0.0452% (0.44 1.0 1.00 0.02 0.02) = 0.045% HB2 GLU- 10 - QG1 VAL 13 3.846% * 0.0452% (0.44 1.0 1.00 0.02 0.02) = 0.045% HB3 GLN 16 - QD1 ILE 29 3.846% * 0.0283% (0.27 1.0 1.00 0.02 0.02) = 0.028% HB3 GLN 16 - QG1 VAL 13 3.846% * 0.0280% (0.27 1.0 1.00 0.02 0.02) = 0.028% Peak 996 (1.56, 0.83, 15.61 ppm): 20 chemical-shift based assignments, quality = 0.874, support = 2.41, residual support = 45.3: * O HG12 ILE 29 - QD1 ILE 29 5.000% * 34.8105% (0.95 10.0 1.00 3.14 61.32) = 34.810% kept T HG LEU 17 - QD1 ILE 29 5.000% * 32.3491% (0.88 1.0 10.00 2.01 17.08) = 32.349% kept O HG13 ILE 29 - QD1 ILE 29 5.000% * 30.1286% (0.82 10.0 1.00 2.22 61.32) = 30.129% kept T HG LEU 17 - QG1 VAL 13 5.000% * 1.6702% (0.86 1.0 10.00 0.11 0.02) = 1.670% kept HB3 LEU 90 - QD1 ILE 29 5.000% * 0.6094% (0.90 1.0 1.00 0.37 0.02) = 0.609% HD3 LYS+ 81 - QD1 ILE 29 5.000% * 0.0354% (0.96 1.0 1.00 0.02 0.02) = 0.035% QB ALA 42 - QD1 ILE 29 5.000% * 0.0348% (0.95 1.0 1.00 0.02 0.02) = 0.035% HD3 LYS+ 81 - QG1 VAL 13 5.000% * 0.0346% (0.94 1.0 1.00 0.02 0.02) = 0.035% HD3 LYS+ 60 - QD1 ILE 29 5.000% * 0.0341% (0.93 1.0 1.00 0.02 0.02) = 0.034% QB ALA 42 - QG1 VAL 13 5.000% * 0.0341% (0.93 1.0 1.00 0.02 0.02) = 0.034% HG12 ILE 29 - QG1 VAL 13 5.000% * 0.0341% (0.93 1.0 1.00 0.02 0.02) = 0.034% HD3 LYS+ 60 - QG1 VAL 13 5.000% * 0.0334% (0.91 1.0 1.00 0.02 0.02) = 0.033% HB3 LEU 90 - QG1 VAL 13 5.000% * 0.0326% (0.89 1.0 1.00 0.02 0.02) = 0.033% HB ILE 19 - QD1 ILE 29 5.000% * 0.0313% (0.85 1.0 1.00 0.02 0.02) = 0.031% HB ILE 19 - QG1 VAL 13 5.000% * 0.0306% (0.83 1.0 1.00 0.02 0.02) = 0.031% HG13 ILE 29 - QG1 VAL 13 5.000% * 0.0295% (0.80 1.0 1.00 0.02 0.02) = 0.029% QG2 THR 24 - QD1 ILE 29 5.000% * 0.0262% (0.71 1.0 1.00 0.02 0.62) = 0.026% QG2 THR 24 - QG1 VAL 13 5.000% * 0.0256% (0.70 1.0 1.00 0.02 0.02) = 0.026% HB3 LYS+ 32 - QD1 ILE 29 5.000% * 0.0080% (0.22 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 32 - QG1 VAL 13 5.000% * 0.0079% (0.21 1.0 1.00 0.02 0.02) = 0.008% Peak 999 (0.83, 0.83, 15.61 ppm): 2 diagonal assignments: * QD1 ILE 29 - QD1 ILE 29 (0.97) kept QG1 VAL 13 - QG1 VAL 13 (0.94) kept Peak 1002 (0.29, 0.83, 15.60 ppm): 4 chemical-shift based assignments, quality = 0.979, support = 0.838, residual support = 7.79: * T QD2 LEU 23 - QD1 ILE 29 25.000% * 53.0028% (0.98 10.00 1.25 14.52) = 53.003% kept T QG1 VAL 122 - QD1 ILE 29 25.000% * 18.3929% (0.99 10.00 0.42 0.45) = 18.393% kept T QG1 VAL 122 - QG1 VAL 13 25.000% * 16.9412% (0.98 10.00 0.39 0.02) = 16.941% kept T QD2 LEU 23 - QG1 VAL 13 25.000% * 11.6631% (0.97 10.00 0.28 0.02) = 11.663% kept Peak 1005 (8.34, 4.26, 56.70 ppm): 77 chemical-shift based assignments, quality = 0.377, support = 2.0, residual support = 6.32: * O HN GLU- 109 - HA LYS+ 108 1.299% * 34.8297% (0.45 10.0 2.04 4.61) = 34.830% kept O HN LYS+ 108 - HA GLU- 107 1.299% * 30.3089% (0.45 10.0 1.72 5.96) = 30.309% kept O HN LYS+ 108 - HA LYS+ 108 1.299% * 21.1253% (0.27 10.0 3.08 13.53) = 21.125% kept O HN ASN 76 - HA ASN 76 1.299% * 5.8562% (0.15 10.0 1.00 0.90) = 5.856% kept O HN ASN 76 - HA GLU- 75 1.299% * 4.6485% (0.12 10.0 1.00 0.02) = 4.649% kept HN GLU- 109 - HA GLU- 107 1.299% * 1.8412% (0.74 1.0 0.63 0.02) = 1.841% kept HN GLU- 50 - HA GLU- 107 1.299% * 0.0618% (0.79 1.0 0.02 0.02) = 0.062% HN ALA 103 - HA GLU- 107 1.299% * 0.0536% (0.69 1.0 0.02 0.02) = 0.054% HN GLU- 50 - HA ARG+ 84 1.299% * 0.0499% (0.64 1.0 0.02 0.02) = 0.050% HN GLU- 109 - HA ARG+ 84 1.299% * 0.0469% (0.60 1.0 0.02 0.02) = 0.047% HN ALA 103 - HA ARG+ 84 1.299% * 0.0433% (0.55 1.0 0.02 0.02) = 0.043% HN GLU- 50 - HA ASN 119 1.299% * 0.0392% (0.50 1.0 0.02 0.02) = 0.039% HN GLU- 50 - HA GLU- 10 1.299% * 0.0377% (0.48 1.0 0.02 0.02) = 0.038% HN GLU- 50 - HA LYS+ 108 1.299% * 0.0371% (0.47 1.0 0.02 0.02) = 0.037% HN GLU- 109 - HA ASN 119 1.299% * 0.0368% (0.47 1.0 0.02 0.02) = 0.037% HN GLU- 109 - HA GLU- 10 1.299% * 0.0354% (0.45 1.0 0.02 0.02) = 0.035% HN ALA 103 - HA ASN 119 1.299% * 0.0340% (0.43 1.0 0.02 0.02) = 0.034% HN ALA 103 - HA GLU- 10 1.299% * 0.0327% (0.42 1.0 0.02 0.02) = 0.033% HN GLY 114 - HA GLU- 107 1.299% * 0.0326% (0.42 1.0 0.02 0.02) = 0.033% HN ALA 103 - HA LYS+ 108 1.299% * 0.0322% (0.41 1.0 0.02 0.02) = 0.032% HN GLU- 50 - HA ASN 76 1.299% * 0.0288% (0.37 1.0 0.02 0.02) = 0.029% HN LYS+ 108 - HA ARG+ 84 1.299% * 0.0285% (0.36 1.0 0.02 0.02) = 0.028% HN GLU- 50 - HA GLU- 64 1.299% * 0.0283% (0.36 1.0 0.02 0.02) = 0.028% HN GLU- 109 - HA ASN 76 1.299% * 0.0271% (0.35 1.0 0.02 0.02) = 0.027% HN GLU- 109 - HA GLU- 64 1.299% * 0.0266% (0.34 1.0 0.02 0.02) = 0.027% HN GLY 114 - HA ARG+ 84 1.299% * 0.0263% (0.34 1.0 0.02 0.02) = 0.026% HN ASN 76 - HA GLU- 107 1.299% * 0.0251% (0.32 1.0 0.02 0.02) = 0.025% HN ALA 103 - HA ASN 76 1.299% * 0.0250% (0.32 1.0 0.02 0.02) = 0.025% HN ALA 103 - HA GLU- 64 1.299% * 0.0245% (0.31 1.0 0.02 0.02) = 0.025% HN GLU- 50 - HA GLU- 75 1.299% * 0.0229% (0.29 1.0 0.02 0.43) = 0.023% HN LYS+ 108 - HA ASN 119 1.299% * 0.0223% (0.29 1.0 0.02 0.02) = 0.022% HN GLU- 109 - HA GLU- 75 1.299% * 0.0215% (0.27 1.0 0.02 0.02) = 0.021% HN LYS+ 108 - HA GLU- 10 1.299% * 0.0215% (0.27 1.0 0.02 0.02) = 0.021% HN GLY 114 - HA ASN 119 1.299% * 0.0206% (0.26 1.0 0.02 0.02) = 0.021% HN ASN 76 - HA ARG+ 84 1.299% * 0.0203% (0.26 1.0 0.02 0.02) = 0.020% HN GLY 114 - HA GLU- 10 1.299% * 0.0199% (0.25 1.0 0.02 0.02) = 0.020% HN ALA 103 - HA GLU- 75 1.299% * 0.0198% (0.25 1.0 0.02 0.02) = 0.020% HN GLY 114 - HA LYS+ 108 1.299% * 0.0195% (0.25 1.0 0.02 0.02) = 0.020% HN GLU- 50 - HA SER 85 1.299% * 0.0188% (0.24 1.0 0.02 0.02) = 0.019% HN GLU- 109 - HA SER 85 1.299% * 0.0177% (0.23 1.0 0.02 0.02) = 0.018% HN GLY 71 - HA GLU- 107 1.299% * 0.0167% (0.21 1.0 0.02 0.02) = 0.017% HN LYS+ 108 - HA ASN 76 1.299% * 0.0164% (0.21 1.0 0.02 0.02) = 0.016% HN ALA 103 - HA SER 85 1.299% * 0.0163% (0.21 1.0 0.02 0.02) = 0.016% HN LYS+ 108 - HA GLU- 64 1.299% * 0.0161% (0.21 1.0 0.02 0.02) = 0.016% HN ASN 76 - HA ASN 119 1.299% * 0.0159% (0.20 1.0 0.02 0.02) = 0.016% HN ASN 76 - HA GLU- 10 1.299% * 0.0153% (0.20 1.0 0.02 0.02) = 0.015% HN GLY 114 - HA ASN 76 1.299% * 0.0152% (0.19 1.0 0.02 0.02) = 0.015% HN ASN 76 - HA LYS+ 108 1.299% * 0.0151% (0.19 1.0 0.02 0.02) = 0.015% HN GLY 114 - HA GLU- 64 1.299% * 0.0149% (0.19 1.0 0.02 0.02) = 0.015% HN GLY 71 - HA ARG+ 84 1.299% * 0.0135% (0.17 1.0 0.02 0.02) = 0.013% HN LYS+ 108 - HA GLU- 75 1.299% * 0.0130% (0.17 1.0 0.02 0.02) = 0.013% HN GLY 114 - HA GLU- 75 1.299% * 0.0121% (0.15 1.0 0.02 0.02) = 0.012% HN ASN 76 - HA GLU- 64 1.299% * 0.0115% (0.15 1.0 0.02 0.02) = 0.011% HN LYS+ 108 - HA SER 85 1.299% * 0.0107% (0.14 1.0 0.02 0.02) = 0.011% HN GLY 71 - HA ASN 119 1.299% * 0.0106% (0.14 1.0 0.02 0.02) = 0.011% HN GLU- 50 - HA GLU- 56 1.299% * 0.0106% (0.14 1.0 0.02 0.46) = 0.011% HN GLY 71 - HA GLU- 10 1.299% * 0.0102% (0.13 1.0 0.02 0.02) = 0.010% HN GLY 71 - HA LYS+ 108 1.299% * 0.0100% (0.13 1.0 0.02 0.02) = 0.010% HN GLY 114 - HA SER 85 1.299% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HN GLU- 109 - HA GLU- 56 1.299% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HN ALA 103 - HA GLU- 56 1.299% * 0.0092% (0.12 1.0 0.02 0.02) = 0.009% HN GLY 71 - HA ASN 76 1.299% * 0.0078% (0.10 1.0 0.02 0.02) = 0.008% HN ASN 76 - HA SER 85 1.299% * 0.0077% (0.10 1.0 0.02 0.02) = 0.008% HN GLY 71 - HA GLU- 64 1.299% * 0.0076% (0.10 1.0 0.02 0.02) = 0.008% HN GLY 71 - HA GLU- 75 1.299% * 0.0062% (0.08 1.0 0.02 0.02) = 0.006% HN LYS+ 108 - HA GLU- 56 1.299% * 0.0060% (0.08 1.0 0.02 0.02) = 0.006% HN GLU- 50 - HA GLU- 12 1.299% * 0.0056% (0.07 1.0 0.02 0.02) = 0.006% HN GLY 114 - HA GLU- 56 1.299% * 0.0056% (0.07 1.0 0.02 0.02) = 0.006% HN GLU- 109 - HA GLU- 12 1.299% * 0.0053% (0.07 1.0 0.02 0.02) = 0.005% HN GLY 71 - HA SER 85 1.299% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% HN ALA 103 - HA GLU- 12 1.299% * 0.0049% (0.06 1.0 0.02 0.02) = 0.005% HN ASN 76 - HA GLU- 56 1.299% * 0.0043% (0.05 1.0 0.02 0.02) = 0.004% HN LYS+ 108 - HA GLU- 12 1.299% * 0.0032% (0.04 1.0 0.02 0.02) = 0.003% HN GLY 114 - HA GLU- 12 1.299% * 0.0030% (0.04 1.0 0.02 0.02) = 0.003% HN GLY 71 - HA GLU- 56 1.299% * 0.0029% (0.04 1.0 0.02 0.02) = 0.003% HN ASN 76 - HA GLU- 12 1.299% * 0.0023% (0.03 1.0 0.02 0.02) = 0.002% HN GLY 71 - HA GLU- 12 1.299% * 0.0015% (0.02 1.0 0.02 0.02) = 0.002% Peak 1006 (8.36, 4.21, 56.81 ppm): 20 chemical-shift based assignments, quality = 0.431, support = 2.55, residual support = 9.13: O HN LYS+ 108 - HA LYS+ 108 5.000% * 51.0906% (0.45 10.0 3.08 13.53) = 51.091% kept * O HN GLU- 109 - HA LYS+ 108 5.000% * 48.1153% (0.42 10.0 2.04 4.61) = 48.115% kept HN LYS+ 108 - HA GLU- 12 5.000% * 0.0918% (0.80 1.0 0.02 0.02) = 0.092% HN ALA 103 - HA GLU- 12 5.000% * 0.0904% (0.79 1.0 0.02 0.02) = 0.090% HN GLU- 109 - HA GLU- 12 5.000% * 0.0865% (0.76 1.0 0.02 0.02) = 0.086% HN GLY 71 - HA GLU- 12 5.000% * 0.0716% (0.63 1.0 0.02 0.02) = 0.072% HN LYS+ 108 - HA GLU- 10 5.000% * 0.0512% (0.45 1.0 0.02 0.02) = 0.051% HN ALA 103 - HA GLU- 10 5.000% * 0.0504% (0.44 1.0 0.02 0.02) = 0.050% HN ALA 103 - HA LYS+ 108 5.000% * 0.0503% (0.44 1.0 0.02 0.02) = 0.050% HN GLU- 109 - HA GLU- 10 5.000% * 0.0482% (0.42 1.0 0.02 0.02) = 0.048% HN GLY 71 - HA GLU- 10 5.000% * 0.0399% (0.35 1.0 0.02 0.02) = 0.040% HN GLY 71 - HA LYS+ 108 5.000% * 0.0398% (0.35 1.0 0.02 0.02) = 0.040% HN GLU- 50 - HA GLU- 12 5.000% * 0.0385% (0.34 1.0 0.02 0.02) = 0.039% HN LYS+ 108 - HA ASP- 82 5.000% * 0.0224% (0.20 1.0 0.02 0.02) = 0.022% HN ALA 103 - HA ASP- 82 5.000% * 0.0221% (0.19 1.0 0.02 0.02) = 0.022% HN GLU- 50 - HA GLU- 10 5.000% * 0.0215% (0.19 1.0 0.02 0.02) = 0.021% HN GLU- 50 - HA LYS+ 108 5.000% * 0.0214% (0.19 1.0 0.02 0.02) = 0.021% HN GLU- 109 - HA ASP- 82 5.000% * 0.0211% (0.18 1.0 0.02 0.02) = 0.021% HN GLY 71 - HA ASP- 82 5.000% * 0.0175% (0.15 1.0 0.02 0.02) = 0.017% HN GLU- 50 - HA ASP- 82 5.000% * 0.0094% (0.08 1.0 0.02 0.02) = 0.009% Peak 1007 (8.07, 4.22, 56.74 ppm): 36 chemical-shift based assignments, quality = 0.454, support = 0.773, residual support = 0.423: * HN LYS+ 110 - HA LYS+ 108 2.778% * 25.4613% (0.42 1.26 0.39) = 25.461% kept HN MET 118 - HA GLU- 12 2.778% * 20.5851% (0.58 0.75 0.65) = 20.585% kept HN LYS+ 110 - HA GLU- 12 2.778% * 17.1449% (0.53 0.68 0.02) = 17.145% kept HN ASN 15 - HA GLU- 12 2.778% * 15.3623% (0.46 0.71 1.19) = 15.362% kept HN GLU- 75 - HA GLU- 12 2.778% * 6.0538% (0.58 0.22 0.02) = 6.054% kept HN CYS 121 - HA GLU- 12 2.778% * 5.3000% (0.53 0.21 0.02) = 5.300% kept HN GLU- 75 - HA ASN 76 2.778% * 2.7668% (0.05 1.18 0.02) = 2.767% kept HN MET 118 - HA ASN 119 2.778% * 2.1754% (0.06 0.71 0.02) = 2.175% kept HN GLU- 75 - HA GLU- 10 2.778% * 0.4407% (0.46 0.02 0.02) = 0.441% HN MET 118 - HA GLU- 10 2.778% * 0.4407% (0.46 0.02 0.02) = 0.441% HN GLU- 75 - HA LYS+ 108 2.778% * 0.4363% (0.46 0.02 0.02) = 0.436% HN MET 118 - HA LYS+ 108 2.778% * 0.4363% (0.46 0.02 0.02) = 0.436% HN CYS 121 - HA GLU- 10 2.778% * 0.4068% (0.43 0.02 0.02) = 0.407% HN LYS+ 110 - HA GLU- 10 2.778% * 0.4068% (0.43 0.02 0.02) = 0.407% HN CYS 121 - HA LYS+ 108 2.778% * 0.4027% (0.42 0.02 0.02) = 0.403% HN ASN 15 - HA GLU- 10 2.778% * 0.3490% (0.37 0.02 0.02) = 0.349% HN ASN 15 - HA LYS+ 108 2.778% * 0.3455% (0.36 0.02 0.02) = 0.345% HN GLU- 75 - HA GLU- 107 2.778% * 0.1427% (0.15 0.02 0.02) = 0.143% HN MET 118 - HA GLU- 107 2.778% * 0.1427% (0.15 0.02 0.02) = 0.143% HN VAL 122 - HA GLU- 12 2.778% * 0.1411% (0.15 0.02 0.02) = 0.141% HN CYS 121 - HA GLU- 107 2.778% * 0.1318% (0.14 0.02 0.02) = 0.132% HN LYS+ 110 - HA GLU- 107 2.778% * 0.1318% (0.14 0.02 0.02) = 0.132% HN VAL 122 - HA GLU- 10 2.778% * 0.1131% (0.12 0.02 0.02) = 0.113% HN ASN 15 - HA GLU- 107 2.778% * 0.1130% (0.12 0.02 0.02) = 0.113% HN VAL 122 - HA LYS+ 108 2.778% * 0.1120% (0.12 0.02 0.02) = 0.112% HN GLU- 75 - HA ASN 119 2.778% * 0.0611% (0.06 0.02 0.02) = 0.061% HN CYS 121 - HA ASN 119 2.778% * 0.0564% (0.06 0.02 0.02) = 0.056% HN LYS+ 110 - HA ASN 119 2.778% * 0.0564% (0.06 0.02 0.02) = 0.056% HN ASN 15 - HA ASN 119 2.778% * 0.0484% (0.05 0.02 0.95) = 0.048% HN MET 118 - HA ASN 76 2.778% * 0.0469% (0.05 0.02 0.02) = 0.047% HN CYS 121 - HA ASN 76 2.778% * 0.0433% (0.05 0.02 0.02) = 0.043% HN LYS+ 110 - HA ASN 76 2.778% * 0.0433% (0.05 0.02 0.02) = 0.043% HN ASN 15 - HA ASN 76 2.778% * 0.0371% (0.04 0.02 0.02) = 0.037% HN VAL 122 - HA GLU- 107 2.778% * 0.0366% (0.04 0.02 0.02) = 0.037% HN VAL 122 - HA ASN 119 2.778% * 0.0157% (0.02 0.02 0.02) = 0.016% HN VAL 122 - HA ASN 76 2.778% * 0.0120% (0.01 0.02 0.02) = 0.012% Peak 1009 (7.35, 4.28, 56.67 ppm): 28 chemical-shift based assignments, quality = 0.33, support = 1.13, residual support = 3.88: HZ PHE 34 - HA ARG+ 84 3.571% * 42.3916% (0.38 1.58 5.06) = 42.392% kept QE PHE 34 - HA ARG+ 84 3.571% * 32.2212% (0.38 1.20 5.06) = 32.221% kept HZ2 TRP 51 - HA ARG+ 84 3.571% * 6.7524% (0.38 0.25 1.28) = 6.752% kept QE PHE 34 - HA SER 85 3.571% * 4.6518% (0.12 0.53 0.02) = 4.652% kept HZ PHE 34 - HA SER 85 3.571% * 3.5729% (0.12 0.41 0.02) = 3.573% kept HE22 GLN 102 - HA GLU- 75 3.571% * 2.3706% (0.12 0.28 0.55) = 2.371% kept HE22 GLN 102 - HA GLU- 107 3.571% * 1.7617% (0.24 0.11 0.02) = 1.762% kept HZ2 TRP 51 - HA SER 85 3.571% * 1.6212% (0.12 0.19 0.02) = 1.621% kept HE22 GLN 102 - HA ARG+ 84 3.571% * 0.8218% (0.59 0.02 0.02) = 0.822% HE22 GLN 102 - HA ASN 76 3.571% * 0.7707% (0.13 0.08 0.02) = 0.771% HE22 GLN 102 - HA SER 85 3.571% * 0.2667% (0.19 0.02 0.02) = 0.267% HE22 GLN 102 - HA ASN 119 3.571% * 0.2614% (0.19 0.02 0.02) = 0.261% HE22 GLN 102 - HA GLU- 64 3.571% * 0.2282% (0.16 0.02 0.02) = 0.228% HZ2 TRP 51 - HA GLU- 107 3.571% * 0.2161% (0.15 0.02 0.02) = 0.216% QE PHE 34 - HA GLU- 107 3.571% * 0.2161% (0.15 0.02 0.02) = 0.216% HZ PHE 34 - HA GLU- 107 3.571% * 0.2161% (0.15 0.02 0.02) = 0.216% HZ2 TRP 51 - HA ASN 119 3.571% * 0.1706% (0.12 0.02 0.02) = 0.171% HZ PHE 34 - HA ASN 119 3.571% * 0.1706% (0.12 0.02 0.02) = 0.171% QE PHE 34 - HA ASN 119 3.571% * 0.1706% (0.12 0.02 0.02) = 0.171% HZ PHE 34 - HA GLU- 64 3.571% * 0.1489% (0.11 0.02 0.02) = 0.149% QE PHE 34 - HA GLU- 64 3.571% * 0.1489% (0.11 0.02 0.02) = 0.149% HZ2 TRP 51 - HA GLU- 64 3.571% * 0.1489% (0.11 0.02 0.02) = 0.149% QE PHE 34 - HA ASN 76 3.571% * 0.1225% (0.09 0.02 0.02) = 0.122% HZ2 TRP 51 - HA ASN 76 3.571% * 0.1225% (0.09 0.02 0.02) = 0.122% HZ PHE 34 - HA ASN 76 3.571% * 0.1225% (0.09 0.02 0.02) = 0.122% QE PHE 34 - HA GLU- 75 3.571% * 0.1112% (0.08 0.02 0.02) = 0.111% HZ2 TRP 51 - HA GLU- 75 3.571% * 0.1112% (0.08 0.02 0.02) = 0.111% HZ PHE 34 - HA GLU- 75 3.571% * 0.1112% (0.08 0.02 0.02) = 0.111% Peak 1012 (4.80, 4.28, 56.88 ppm): 32 chemical-shift based assignments, quality = 0.407, support = 1.3, residual support = 1.85: HA GLU- 18 - HA SER 85 3.125% * 24.5343% (0.48 1.51 2.22) = 24.534% kept HA GLU- 18 - HA ARG+ 84 3.125% * 24.4630% (0.46 1.57 3.02) = 24.463% kept HB THR 39 - HA SER 85 3.125% * 21.9011% (0.45 1.45 2.34) = 21.901% kept HB THR 39 - HA ARG+ 84 3.125% * 16.2536% (0.43 1.13 0.33) = 16.254% kept HA ASN 15 - HA GLU- 107 3.125% * 3.0029% (0.22 0.40 0.02) = 3.003% kept HA LEU 23 - HA GLU- 10 3.125% * 2.8612% (0.12 0.69 0.02) = 2.861% kept HA ASN 15 - HA GLU- 10 3.125% * 1.2928% (0.06 0.60 0.02) = 1.293% kept HA LEU 23 - HA SER 85 3.125% * 0.5431% (0.80 0.02 0.02) = 0.543% HA LEU 23 - HA ARG+ 84 3.125% * 0.5193% (0.77 0.02 0.02) = 0.519% HA LEU 23 - HA GLU- 64 3.125% * 0.4424% (0.65 0.02 0.02) = 0.442% HA LEU 23 - HA GLU- 75 3.125% * 0.3925% (0.58 0.02 0.02) = 0.393% HA LEU 23 - HA GLU- 56 3.125% * 0.3394% (0.50 0.02 0.02) = 0.339% HA LEU 23 - HA GLU- 107 3.125% * 0.2910% (0.43 0.02 0.02) = 0.291% HA ASN 15 - HA SER 85 3.125% * 0.2794% (0.41 0.02 0.02) = 0.279% HA ASN 15 - HA ARG+ 84 3.125% * 0.2672% (0.39 0.02 0.02) = 0.267% HA GLU- 18 - HA GLU- 64 3.125% * 0.2647% (0.39 0.02 0.02) = 0.265% HB THR 39 - HA GLU- 64 3.125% * 0.2460% (0.36 0.02 0.02) = 0.246% HA GLU- 18 - HA GLU- 75 3.125% * 0.2349% (0.35 0.02 0.02) = 0.235% HA ASN 15 - HA GLU- 64 3.125% * 0.2276% (0.34 0.02 0.02) = 0.228% HB THR 39 - HA GLU- 75 3.125% * 0.2183% (0.32 0.02 0.02) = 0.218% HA GLU- 18 - HA GLU- 56 3.125% * 0.2032% (0.30 0.02 0.02) = 0.203% HA ASN 15 - HA GLU- 75 3.125% * 0.2020% (0.30 0.02 0.02) = 0.202% HB THR 39 - HA GLU- 56 3.125% * 0.1888% (0.28 0.02 0.02) = 0.189% HA ASN 15 - HA GLU- 56 3.125% * 0.1747% (0.26 0.02 0.02) = 0.175% HA GLU- 18 - HA GLU- 107 3.125% * 0.1742% (0.26 0.02 0.02) = 0.174% HB THR 39 - HA GLU- 107 3.125% * 0.1619% (0.24 0.02 0.02) = 0.162% HA LEU 23 - HA LYS+ 108 3.125% * 0.0840% (0.12 0.02 0.02) = 0.084% HA GLU- 18 - HA LYS+ 108 3.125% * 0.0503% (0.07 0.02 0.02) = 0.050% HA GLU- 18 - HA GLU- 10 3.125% * 0.0500% (0.07 0.02 0.02) = 0.050% HB THR 39 - HA LYS+ 108 3.125% * 0.0467% (0.07 0.02 0.02) = 0.047% HB THR 39 - HA GLU- 10 3.125% * 0.0464% (0.07 0.02 0.02) = 0.046% HA ASN 15 - HA LYS+ 108 3.125% * 0.0432% (0.06 0.02 0.02) = 0.043% Peak 1014 (4.44, 4.25, 56.86 ppm): 88 chemical-shift based assignments, quality = 0.284, support = 0.506, residual support = 1.05: O HA PRO 86 - HA SER 85 1.136% * 36.9081% (0.06 10.0 1.00 2.67) = 36.908% kept HB THR 24 - HA GLU- 10 1.136% * 16.6591% (0.90 1.0 0.31 0.02) = 16.659% kept HA MET 118 - HA GLU- 12 1.136% * 8.7889% (0.23 1.0 0.64 0.65) = 8.789% kept HA LYS+ 111 - HA LYS+ 108 1.136% * 5.0488% (0.89 1.0 0.10 0.02) = 5.049% kept HA LYS+ 66 - HA GLU- 64 1.136% * 4.3565% (0.31 1.0 0.24 0.02) = 4.356% kept HA HIS+ 14 - HA GLU- 12 1.136% * 3.0414% (0.12 1.0 0.43 0.02) = 3.041% kept HB THR 24 - HA LYS+ 108 1.136% * 1.0761% (0.91 1.0 0.02 0.02) = 1.076% kept HA LYS+ 111 - HA GLU- 10 1.136% * 1.0544% (0.89 1.0 0.02 0.02) = 1.054% kept HB THR 24 - HA GLU- 107 1.136% * 1.0046% (0.85 1.0 0.02 0.02) = 1.005% kept HA LYS+ 111 - HA GLU- 107 1.136% * 0.9891% (0.83 1.0 0.02 0.02) = 0.989% HA PRO 86 - HA ARG+ 84 1.136% * 0.9103% (0.06 1.0 0.24 0.02) = 0.910% HA PRO 116 - HA GLU- 12 1.136% * 0.9073% (0.06 1.0 0.26 0.02) = 0.907% HB THR 24 - HA GLU- 64 1.136% * 0.6844% (0.58 1.0 0.02 0.02) = 0.684% HA LYS+ 111 - HA GLU- 64 1.136% * 0.6739% (0.57 1.0 0.02 0.02) = 0.674% HA MET 118 - HA LYS+ 108 1.136% * 0.6659% (0.56 1.0 0.02 0.02) = 0.666% HA MET 118 - HA GLU- 10 1.136% * 0.6627% (0.56 1.0 0.02 0.02) = 0.663% HB THR 24 - HA GLU- 75 1.136% * 0.6517% (0.55 1.0 0.02 0.02) = 0.652% HA LYS+ 111 - HA GLU- 75 1.136% * 0.6416% (0.54 1.0 0.02 0.02) = 0.642% HA MET 118 - HA GLU- 107 1.136% * 0.6216% (0.52 1.0 0.02 0.02) = 0.622% HA LYS+ 66 - HA LYS+ 108 1.136% * 0.5776% (0.49 1.0 0.02 0.02) = 0.578% HA LYS+ 66 - HA GLU- 10 1.136% * 0.5748% (0.48 1.0 0.02 0.02) = 0.575% HA LYS+ 66 - HA GLU- 107 1.136% * 0.5392% (0.45 1.0 0.02 0.02) = 0.539% HA GLU- 50 - HA LYS+ 108 1.136% * 0.4514% (0.38 1.0 0.02 0.02) = 0.451% HA GLU- 50 - HA GLU- 10 1.136% * 0.4492% (0.38 1.0 0.02 0.02) = 0.449% HB THR 24 - HA GLU- 12 1.136% * 0.4462% (0.38 1.0 0.02 0.02) = 0.446% HA LYS+ 111 - HA GLU- 12 1.136% * 0.4393% (0.37 1.0 0.02 0.02) = 0.439% HA MET 118 - HA GLU- 64 1.136% * 0.4235% (0.36 1.0 0.02 0.02) = 0.424% HA GLU- 50 - HA GLU- 107 1.136% * 0.4213% (0.36 1.0 0.02 0.02) = 0.421% HA MET 118 - HA GLU- 75 1.136% * 0.4032% (0.34 1.0 0.02 0.02) = 0.403% HB THR 24 - HA ARG+ 84 1.136% * 0.3802% (0.32 1.0 0.02 0.02) = 0.380% HA LYS+ 111 - HA ARG+ 84 1.136% * 0.3744% (0.32 1.0 0.02 0.02) = 0.374% HB THR 24 - HA SER 85 1.136% * 0.3656% (0.31 1.0 0.02 0.02) = 0.366% HB THR 24 - HA GLU- 56 1.136% * 0.3621% (0.31 1.0 0.02 0.02) = 0.362% HA LYS+ 111 - HA SER 85 1.136% * 0.3600% (0.30 1.0 0.02 0.02) = 0.360% HA LYS+ 111 - HA GLU- 56 1.136% * 0.3565% (0.30 1.0 0.02 0.02) = 0.356% HA LYS+ 66 - HA GLU- 75 1.136% * 0.3498% (0.29 1.0 0.02 0.02) = 0.350% HA HIS+ 14 - HA LYS+ 108 1.136% * 0.3389% (0.29 1.0 0.02 0.02) = 0.339% HA HIS+ 14 - HA GLU- 10 1.136% * 0.3372% (0.28 1.0 0.02 0.02) = 0.337% HA HIS+ 14 - HA GLU- 107 1.136% * 0.3163% (0.27 1.0 0.02 0.02) = 0.316% HA GLU- 50 - HA GLU- 64 1.136% * 0.2871% (0.24 1.0 0.02 0.02) = 0.287% HA GLU- 50 - HA GLU- 75 1.136% * 0.2733% (0.23 1.0 0.02 0.43) = 0.273% HA LYS+ 66 - HA GLU- 12 1.136% * 0.2395% (0.20 1.0 0.02 0.02) = 0.240% HA MET 118 - HA ARG+ 84 1.136% * 0.2353% (0.20 1.0 0.02 0.02) = 0.235% HA MET 118 - HA SER 85 1.136% * 0.2262% (0.19 1.0 0.02 0.02) = 0.226% HA MET 118 - HA GLU- 56 1.136% * 0.2240% (0.19 1.0 0.02 0.02) = 0.224% HA PRO 86 - HA LYS+ 108 1.136% * 0.2173% (0.18 1.0 0.02 0.02) = 0.217% HA PRO 86 - HA GLU- 10 1.136% * 0.2162% (0.18 1.0 0.02 0.02) = 0.216% HA HIS+ 14 - HA GLU- 64 1.136% * 0.2155% (0.18 1.0 0.02 0.02) = 0.216% HA HIS+ 14 - HA GLU- 75 1.136% * 0.2052% (0.17 1.0 0.02 0.13) = 0.205% HA LYS+ 66 - HA ARG+ 84 1.136% * 0.2041% (0.17 1.0 0.02 0.02) = 0.204% HA PRO 86 - HA GLU- 107 1.136% * 0.2028% (0.17 1.0 0.02 0.02) = 0.203% HA LYS+ 66 - HA SER 85 1.136% * 0.1962% (0.17 1.0 0.02 0.02) = 0.196% HA LYS+ 66 - HA GLU- 56 1.136% * 0.1943% (0.16 1.0 0.02 0.02) = 0.194% HA GLU- 50 - HA GLU- 12 1.136% * 0.1872% (0.16 1.0 0.02 0.02) = 0.187% HA PRO 116 - HA LYS+ 108 1.136% * 0.1694% (0.14 1.0 0.02 0.02) = 0.169% HA PRO 116 - HA GLU- 10 1.136% * 0.1686% (0.14 1.0 0.02 0.02) = 0.169% HB THR 24 - HA ASN 119 1.136% * 0.1632% (0.14 1.0 0.02 0.02) = 0.163% HA LYS+ 111 - HA ASN 119 1.136% * 0.1607% (0.14 1.0 0.02 0.02) = 0.161% HA GLU- 50 - HA ARG+ 84 1.136% * 0.1595% (0.13 1.0 0.02 0.02) = 0.159% HA PRO 116 - HA GLU- 107 1.136% * 0.1581% (0.13 1.0 0.02 0.02) = 0.158% HA GLU- 50 - HA SER 85 1.136% * 0.1533% (0.13 1.0 0.02 0.02) = 0.153% HA GLU- 50 - HA GLU- 56 1.136% * 0.1519% (0.13 1.0 0.02 0.46) = 0.152% HA PRO 86 - HA GLU- 64 1.136% * 0.1382% (0.12 1.0 0.02 0.02) = 0.138% HA PRO 86 - HA GLU- 75 1.136% * 0.1316% (0.11 1.0 0.02 0.02) = 0.132% HA HIS+ 14 - HA ARG+ 84 1.136% * 0.1197% (0.10 1.0 0.02 0.02) = 0.120% HA HIS+ 14 - HA SER 85 1.136% * 0.1151% (0.10 1.0 0.02 0.02) = 0.115% HA HIS+ 14 - HA GLU- 56 1.136% * 0.1140% (0.10 1.0 0.02 0.02) = 0.114% HA PRO 116 - HA GLU- 64 1.136% * 0.1077% (0.09 1.0 0.02 0.02) = 0.108% HA PRO 116 - HA GLU- 75 1.136% * 0.1026% (0.09 1.0 0.02 0.02) = 0.103% HA MET 118 - HA ASN 119 1.136% * 0.1010% (0.09 1.0 0.02 0.02) = 0.101% HA PRO 86 - HA GLU- 12 1.136% * 0.0901% (0.08 1.0 0.02 0.02) = 0.090% HA LYS+ 66 - HA ASN 119 1.136% * 0.0876% (0.07 1.0 0.02 0.02) = 0.088% HA PRO 86 - HA GLU- 56 1.136% * 0.0731% (0.06 1.0 0.02 0.02) = 0.073% HA GLU- 50 - HA ASN 119 1.136% * 0.0684% (0.06 1.0 0.02 0.02) = 0.068% HA PRO 116 - HA ARG+ 84 1.136% * 0.0599% (0.05 1.0 0.02 0.02) = 0.060% HB THR 24 - HA ASP- 82 1.136% * 0.0577% (0.05 1.0 0.02 0.02) = 0.058% HA PRO 116 - HA SER 85 1.136% * 0.0576% (0.05 1.0 0.02 0.02) = 0.058% HA PRO 116 - HA GLU- 56 1.136% * 0.0570% (0.05 1.0 0.02 0.02) = 0.057% HA LYS+ 111 - HA ASP- 82 1.136% * 0.0568% (0.05 1.0 0.02 0.02) = 0.057% HA HIS+ 14 - HA ASN 119 1.136% * 0.0514% (0.04 1.0 0.02 0.02) = 0.051% HA MET 118 - HA ASP- 82 1.136% * 0.0357% (0.03 1.0 0.02 0.02) = 0.036% HA PRO 86 - HA ASN 119 1.136% * 0.0329% (0.03 1.0 0.02 0.02) = 0.033% HA LYS+ 66 - HA ASP- 82 1.136% * 0.0310% (0.03 1.0 0.02 0.02) = 0.031% HA PRO 116 - HA ASN 119 1.136% * 0.0257% (0.02 1.0 0.02 0.02) = 0.026% HA GLU- 50 - HA ASP- 82 1.136% * 0.0242% (0.02 1.0 0.02 0.02) = 0.024% HA HIS+ 14 - HA ASP- 82 1.136% * 0.0182% (0.02 1.0 0.02 0.02) = 0.018% HA PRO 86 - HA ASP- 82 1.136% * 0.0116% (0.01 1.0 0.02 0.02) = 0.012% HA PRO 116 - HA ASP- 82 1.136% * 0.0091% (0.01 1.0 0.02 0.02) = 0.009% Peak 1021 (4.26, 4.26, 56.70 ppm): 10 diagonal assignments: * HA GLU- 107 - HA GLU- 107 (0.73) kept HA ARG+ 84 - HA ARG+ 84 (0.56) kept HA ASN 119 - HA ASN 119 (0.44) kept HA GLU- 64 - HA GLU- 64 (0.41) kept HA GLU- 75 - HA GLU- 75 (0.33) kept HA ASN 76 - HA ASN 76 (0.31) kept HA SER 85 - HA SER 85 (0.22) kept HA GLU- 56 - HA GLU- 56 (0.15) kept HA GLU- 10 - HA GLU- 10 (0.13) kept HA LYS+ 108 - HA LYS+ 108 (0.13) kept Peak 1032 (4.22, 4.21, 56.84 ppm): 4 diagonal assignments: * HA GLU- 12 - HA GLU- 12 (0.89) kept HA LYS+ 108 - HA LYS+ 108 (0.24) kept HA GLU- 10 - HA GLU- 10 (0.24) kept HA ASP- 82 - HA ASP- 82 (0.16) kept Peak 1051 (1.99, 4.25, 56.88 ppm): 126 chemical-shift based assignments, quality = 0.503, support = 2.17, residual support = 10.7: T HB2 LYS+ 108 - HA GLU- 107 0.794% * 30.9065% (0.83 1.0 10.00 1.94 5.96) = 30.907% kept * O T HB2 LYS+ 108 - HA LYS+ 108 0.794% * 25.0251% (0.65 10.0 10.00 2.39 13.53) = 25.025% kept O T HB3 GLU- 107 - HA GLU- 107 0.794% * 9.8667% (0.26 10.0 10.00 2.46 6.21) = 9.867% kept O T HB3 GLU- 56 - HA GLU- 56 0.794% * 9.8631% (0.26 10.0 10.00 3.65 28.94) = 9.863% kept T HB3 GLU- 107 - HA LYS+ 108 0.794% * 7.5973% (0.20 1.0 10.00 1.96 5.96) = 7.597% kept O T HB3 GLU- 75 - HA GLU- 75 0.794% * 6.1067% (0.16 10.0 10.00 2.97 24.11) = 6.107% kept HB2 PRO 86 - HA SER 85 0.794% * 1.7854% (0.39 1.0 1.00 2.40 2.67) = 1.785% kept T HB3 GLU- 75 - HA GLU- 56 0.794% * 0.9499% (0.10 1.0 10.00 0.49 0.02) = 0.950% T HB3 GLU- 75 - HA GLU- 10 0.794% * 0.7064% (0.15 1.0 10.00 0.25 0.02) = 0.706% HG2 PRO 112 - HA GLU- 56 0.794% * 0.6519% (0.25 1.0 1.00 1.34 0.14) = 0.652% T HB3 GLU- 75 - HA GLU- 12 0.794% * 0.3941% (0.04 1.0 10.00 0.47 0.02) = 0.394% HG2 PRO 112 - HA GLU- 64 0.794% * 0.3464% (0.42 1.0 1.00 0.43 0.02) = 0.346% T HB2 LYS+ 108 - HA GLU- 10 0.794% * 0.2485% (0.65 1.0 10.00 0.02 0.02) = 0.248% T HB2 HIS+ 14 - HA GLU- 107 0.794% * 0.2296% (0.60 1.0 10.00 0.02 0.02) = 0.230% T HB2 HIS+ 14 - HA GLU- 64 0.794% * 0.2012% (0.52 1.0 10.00 0.02 0.02) = 0.201% T HB2 HIS+ 14 - HA GLU- 75 0.794% * 0.1905% (0.50 1.0 10.00 0.02 0.13) = 0.191% T HB3 GLU- 56 - HA GLU- 107 0.794% * 0.1867% (0.49 1.0 10.00 0.02 0.02) = 0.187% T HB2 GLU- 18 - HA GLU- 107 0.794% * 0.1867% (0.49 1.0 10.00 0.02 0.02) = 0.187% T HB2 HIS+ 14 - HA LYS+ 108 0.794% * 0.1805% (0.47 1.0 10.00 0.02 0.02) = 0.181% T HB2 HIS+ 14 - HA GLU- 10 0.794% * 0.1792% (0.47 1.0 10.00 0.02 0.02) = 0.179% HG2 PRO 112 - HA GLU- 10 0.794% * 0.1710% (0.37 1.0 1.00 0.24 0.02) = 0.171% T HB3 GLU- 56 - HA GLU- 64 0.794% * 0.1637% (0.43 1.0 10.00 0.02 0.02) = 0.164% T HB2 GLU- 18 - HA GLU- 64 0.794% * 0.1637% (0.43 1.0 10.00 0.02 0.02) = 0.164% HG2 PRO 112 - HA ARG+ 84 0.794% * 0.1559% (0.26 1.0 1.00 0.31 0.02) = 0.156% T HB3 GLU- 56 - HA GLU- 75 0.794% * 0.1550% (0.40 1.0 10.00 0.02 0.02) = 0.155% T HB2 GLU- 18 - HA GLU- 75 0.794% * 0.1550% (0.40 1.0 10.00 0.02 0.02) = 0.155% T HB3 GLU- 56 - HA LYS+ 108 0.794% * 0.1468% (0.38 1.0 10.00 0.02 0.02) = 0.147% T HB2 GLU- 18 - HA LYS+ 108 0.794% * 0.1468% (0.38 1.0 10.00 0.02 0.02) = 0.147% T HB2 GLU- 18 - HA GLU- 10 0.794% * 0.1458% (0.38 1.0 10.00 0.02 0.02) = 0.146% T HB3 GLU- 56 - HA GLU- 10 0.794% * 0.1458% (0.38 1.0 10.00 0.02 0.02) = 0.146% HG2 PRO 112 - HA GLU- 12 0.794% * 0.1331% (0.11 1.0 1.00 0.63 0.22) = 0.133% T HB2 HIS+ 14 - HA SER 85 0.794% * 0.1324% (0.35 1.0 10.00 0.02 0.02) = 0.132% T HB2 HIS+ 14 - HA ARG+ 84 0.794% * 0.1245% (0.32 1.0 10.00 0.02 0.02) = 0.125% T HB2 HIS+ 14 - HA GLU- 56 0.794% * 0.1213% (0.32 1.0 10.00 0.02 0.02) = 0.121% T HB2 GLU- 18 - HA SER 85 0.794% * 0.1077% (0.28 1.0 10.00 0.02 2.22) = 0.108% T HB3 GLU- 56 - HA SER 85 0.794% * 0.1077% (0.28 1.0 10.00 0.02 0.02) = 0.108% T HB2 GLU- 18 - HA ARG+ 84 0.794% * 0.1013% (0.26 1.0 10.00 0.02 3.02) = 0.101% T HB3 GLU- 56 - HA ARG+ 84 0.794% * 0.1013% (0.26 1.0 10.00 0.02 0.02) = 0.101% T HB2 GLU- 18 - HA GLU- 56 0.794% * 0.0986% (0.26 1.0 10.00 0.02 0.02) = 0.099% T HB3 GLU- 107 - HA GLU- 64 0.794% * 0.0865% (0.23 1.0 10.00 0.02 0.02) = 0.086% T HB3 GLU- 107 - HA GLU- 75 0.794% * 0.0819% (0.21 1.0 10.00 0.02 0.02) = 0.082% T HB3 GLU- 107 - HA GLU- 10 0.794% * 0.0770% (0.20 1.0 10.00 0.02 0.02) = 0.077% T HB3 GLU- 75 - HA GLU- 107 0.794% * 0.0736% (0.19 1.0 10.00 0.02 0.02) = 0.074% T HB2 LYS+ 108 - HA GLU- 12 0.794% * 0.0727% (0.19 1.0 10.00 0.02 0.02) = 0.073% T HB3 GLU- 75 - HA GLU- 64 0.794% * 0.0645% (0.17 1.0 10.00 0.02 0.02) = 0.064% T HB3 GLU- 75 - HA LYS+ 108 0.794% * 0.0579% (0.15 1.0 10.00 0.02 0.02) = 0.058% T HB2 HIS+ 14 - HA GLU- 12 0.794% * 0.0524% (0.14 1.0 10.00 0.02 0.02) = 0.052% T HB3 GLU- 107 - HA GLU- 56 0.794% * 0.0521% (0.14 1.0 10.00 0.02 0.02) = 0.052% T HB3 GLU- 56 - HA GLU- 12 0.794% * 0.0426% (0.11 1.0 10.00 0.02 0.02) = 0.043% T HB3 GLU- 75 - HA SER 85 0.794% * 0.0424% (0.11 1.0 10.00 0.02 0.02) = 0.042% T HB3 GLU- 75 - HA ARG+ 84 0.794% * 0.0399% (0.10 1.0 10.00 0.02 0.02) = 0.040% HB2 LYS+ 108 - HA GLU- 64 0.794% * 0.0279% (0.73 1.0 1.00 0.02 0.02) = 0.028% HB2 LYS+ 108 - HA GLU- 75 0.794% * 0.0264% (0.69 1.0 1.00 0.02 0.02) = 0.026% HB2 PRO 86 - HA GLU- 107 0.794% * 0.0258% (0.67 1.0 1.00 0.02 0.02) = 0.026% HB3 MET 118 - HA GLU- 107 0.794% * 0.0230% (0.60 1.0 1.00 0.02 0.02) = 0.023% HB2 PRO 86 - HA GLU- 64 0.794% * 0.0226% (0.59 1.0 1.00 0.02 0.02) = 0.023% T HB3 GLU- 107 - HA GLU- 12 0.794% * 0.0225% (0.06 1.0 10.00 0.02 0.02) = 0.023% HB2 PRO 86 - HA GLU- 75 0.794% * 0.0214% (0.56 1.0 1.00 0.02 0.02) = 0.021% HB2 PRO 86 - HA LYS+ 108 0.794% * 0.0203% (0.53 1.0 1.00 0.02 0.02) = 0.020% HB3 MET 118 - HA GLU- 64 0.794% * 0.0201% (0.52 1.0 1.00 0.02 0.02) = 0.020% HB2 PRO 86 - HA GLU- 10 0.794% * 0.0201% (0.52 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 112 - HA GLU- 107 0.794% * 0.0201% (0.52 1.0 1.00 0.02 0.02) = 0.020% HB3 MET 118 - HA GLU- 75 0.794% * 0.0191% (0.50 1.0 1.00 0.02 0.02) = 0.019% HG2 PRO 112 - HA GLU- 107 0.794% * 0.0184% (0.48 1.0 1.00 0.02 0.02) = 0.018% HB2 LYS+ 108 - HA SER 85 0.794% * 0.0184% (0.48 1.0 1.00 0.02 0.02) = 0.018% HB3 MET 118 - HA LYS+ 108 0.794% * 0.0181% (0.47 1.0 1.00 0.02 0.02) = 0.018% HB3 MET 118 - HA GLU- 10 0.794% * 0.0179% (0.47 1.0 1.00 0.02 0.02) = 0.018% HG3 PRO 112 - HA GLU- 64 0.794% * 0.0176% (0.46 1.0 1.00 0.02 0.02) = 0.018% HB2 LYS+ 108 - HA ARG+ 84 0.794% * 0.0173% (0.45 1.0 1.00 0.02 0.02) = 0.017% HB2 LYS+ 108 - HA GLU- 56 0.794% * 0.0168% (0.44 1.0 1.00 0.02 0.02) = 0.017% HG3 PRO 112 - HA GLU- 75 0.794% * 0.0167% (0.43 1.0 1.00 0.02 0.30) = 0.017% HG3 PRO 112 - HA LYS+ 108 0.794% * 0.0158% (0.41 1.0 1.00 0.02 0.02) = 0.016% HG3 PRO 112 - HA GLU- 10 0.794% * 0.0157% (0.41 1.0 1.00 0.02 0.02) = 0.016% HG2 PRO 112 - HA GLU- 75 0.794% * 0.0153% (0.40 1.0 1.00 0.02 0.30) = 0.015% HG3 PRO 104 - HA GLU- 107 0.794% * 0.0146% (0.38 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 112 - HA LYS+ 108 0.794% * 0.0145% (0.38 1.0 1.00 0.02 0.02) = 0.014% HB2 PRO 86 - HA ARG+ 84 0.794% * 0.0140% (0.36 1.0 1.00 0.02 0.02) = 0.014% HB2 PRO 86 - HA GLU- 56 0.794% * 0.0136% (0.36 1.0 1.00 0.02 0.02) = 0.014% HB3 MET 118 - HA SER 85 0.794% * 0.0132% (0.35 1.0 1.00 0.02 0.02) = 0.013% HG3 PRO 104 - HA GLU- 64 0.794% * 0.0128% (0.33 1.0 1.00 0.02 0.02) = 0.013% HB3 MET 118 - HA ARG+ 84 0.794% * 0.0125% (0.32 1.0 1.00 0.02 0.02) = 0.012% HB3 MET 118 - HA GLU- 56 0.794% * 0.0121% (0.32 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 104 - HA GLU- 75 0.794% * 0.0121% (0.32 1.0 1.00 0.02 0.02) = 0.012% HB VAL 73 - HA GLU- 107 0.794% * 0.0121% (0.32 1.0 1.00 0.02 0.11) = 0.012% HG3 PRO 112 - HA SER 85 0.794% * 0.0116% (0.30 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 104 - HA LYS+ 108 0.794% * 0.0115% (0.30 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 104 - HA GLU- 10 0.794% * 0.0114% (0.30 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 116 - HA GLU- 107 0.794% * 0.0110% (0.29 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 112 - HA ARG+ 84 0.794% * 0.0109% (0.28 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HA SER 85 0.794% * 0.0106% (0.28 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 112 - HA GLU- 56 0.794% * 0.0106% (0.28 1.0 1.00 0.02 0.14) = 0.011% HB VAL 73 - HA GLU- 64 0.794% * 0.0106% (0.28 1.0 1.00 0.02 0.02) = 0.011% HB VAL 73 - HA GLU- 75 0.794% * 0.0100% (0.26 1.0 1.00 0.02 0.02) = 0.010% HG2 PRO 116 - HA GLU- 64 0.794% * 0.0096% (0.25 1.0 1.00 0.02 0.02) = 0.010% HB VAL 73 - HA LYS+ 108 0.794% * 0.0095% (0.25 1.0 1.00 0.02 0.02) = 0.010% HB VAL 73 - HA GLU- 10 0.794% * 0.0095% (0.25 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 116 - HA GLU- 75 0.794% * 0.0091% (0.24 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 116 - HA LYS+ 108 0.794% * 0.0086% (0.22 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 116 - HA GLU- 10 0.794% * 0.0086% (0.22 1.0 1.00 0.02 0.02) = 0.009% HG3 PRO 104 - HA SER 85 0.794% * 0.0084% (0.22 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 104 - HA ARG+ 84 0.794% * 0.0079% (0.21 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 104 - HA GLU- 56 0.794% * 0.0077% (0.20 1.0 1.00 0.02 0.02) = 0.008% HB VAL 73 - HA SER 85 0.794% * 0.0070% (0.18 1.0 1.00 0.02 0.02) = 0.007% HB VAL 73 - HA ARG+ 84 0.794% * 0.0066% (0.17 1.0 1.00 0.02 0.02) = 0.007% HB VAL 73 - HA GLU- 56 0.794% * 0.0064% (0.17 1.0 1.00 0.02 0.02) = 0.006% HG2 PRO 116 - HA SER 85 0.794% * 0.0063% (0.16 1.0 1.00 0.02 0.02) = 0.006% HG2 PRO 116 - HA ARG+ 84 0.794% * 0.0059% (0.15 1.0 1.00 0.02 0.02) = 0.006% HB2 PRO 86 - HA GLU- 12 0.794% * 0.0059% (0.15 1.0 1.00 0.02 0.02) = 0.006% HG2 PRO 116 - HA GLU- 56 0.794% * 0.0058% (0.15 1.0 1.00 0.02 0.02) = 0.006% HB3 GLU- 107 - HA SER 85 0.794% * 0.0057% (0.15 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 31 - HA GLU- 107 0.794% * 0.0055% (0.14 1.0 1.00 0.02 0.02) = 0.005% HB3 GLU- 107 - HA ARG+ 84 0.794% * 0.0054% (0.14 1.0 1.00 0.02 0.02) = 0.005% HB3 MET 118 - HA GLU- 12 0.794% * 0.0052% (0.14 1.0 1.00 0.02 0.65) = 0.005% HB3 PRO 31 - HA GLU- 64 0.794% * 0.0048% (0.13 1.0 1.00 0.02 0.02) = 0.005% HG3 PRO 112 - HA GLU- 12 0.794% * 0.0046% (0.12 1.0 1.00 0.02 0.22) = 0.005% HB3 PRO 31 - HA GLU- 75 0.794% * 0.0045% (0.12 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 31 - HA LYS+ 108 0.794% * 0.0043% (0.11 1.0 1.00 0.02 0.02) = 0.004% HB3 PRO 31 - HA GLU- 10 0.794% * 0.0043% (0.11 1.0 1.00 0.02 0.02) = 0.004% HB2 GLU- 18 - HA GLU- 12 0.794% * 0.0043% (0.11 1.0 1.00 0.02 0.02) = 0.004% HG3 PRO 104 - HA GLU- 12 0.794% * 0.0033% (0.09 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 31 - HA SER 85 0.794% * 0.0032% (0.08 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 31 - HA ARG+ 84 0.794% * 0.0030% (0.08 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 31 - HA GLU- 56 0.794% * 0.0029% (0.08 1.0 1.00 0.02 0.02) = 0.003% HB VAL 73 - HA GLU- 12 0.794% * 0.0028% (0.07 1.0 1.00 0.02 0.02) = 0.003% HG2 PRO 116 - HA GLU- 12 0.794% * 0.0025% (0.07 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 31 - HA GLU- 12 0.794% * 0.0013% (0.03 1.0 1.00 0.02 0.02) = 0.001% Peak 1052 (1.96, 4.22, 56.81 ppm): 105 chemical-shift based assignments, quality = 0.532, support = 1.67, residual support = 4.16: T HB3 GLU- 109 - HA LYS+ 108 0.952% * 36.5426% (0.60 1.0 10.00 2.18 4.61) = 36.543% kept T HB VAL 13 - HA GLU- 12 0.952% * 33.6580% (0.84 1.0 10.00 1.32 1.35) = 33.658% kept * O T HB2 GLU- 10 - HA GLU- 10 0.952% * 9.1511% (0.15 10.0 10.00 2.21 9.88) = 9.151% kept O T HB2 LYS+ 108 - HA LYS+ 108 0.952% * 7.2478% (0.12 10.0 10.00 2.39 13.53) = 7.248% kept T HB2 LYS+ 108 - HA GLU- 107 0.952% * 2.3062% (0.04 1.0 10.00 1.94 5.96) = 2.306% kept T HB2 PRO 116 - HA GLU- 12 0.952% * 1.6512% (0.21 1.0 10.00 0.26 0.02) = 1.651% kept T HB3 GLU- 109 - HA GLU- 107 0.952% * 1.4199% (0.20 1.0 10.00 0.24 0.02) = 1.420% kept HG2 PRO 112 - HA GLU- 12 0.952% * 0.6824% (0.36 1.0 1.00 0.63 0.22) = 0.682% T HB2 PRO 35 - HA GLU- 12 0.952% * 0.4849% (0.80 1.0 10.00 0.02 0.02) = 0.485% T HB3 LYS+ 55 - HA GLU- 12 0.952% * 0.3723% (0.61 1.0 10.00 0.02 0.02) = 0.372% T HB3 GLU- 109 - HA GLU- 10 0.952% * 0.3662% (0.60 1.0 10.00 0.02 0.02) = 0.366% T HB VAL 13 - HA GLU- 10 0.952% * 0.3637% (0.60 1.0 10.00 0.02 0.02) = 0.364% T HB VAL 13 - HA LYS+ 108 0.952% * 0.3630% (0.60 1.0 10.00 0.02 0.02) = 0.363% T HB2 PRO 35 - HA GLU- 10 0.952% * 0.3472% (0.57 1.0 10.00 0.02 0.02) = 0.347% T HB2 PRO 35 - HA LYS+ 108 0.952% * 0.3464% (0.57 1.0 10.00 0.02 0.02) = 0.346% T HB2 GLU- 75 - HA GLU- 12 0.952% * 0.2697% (0.44 1.0 10.00 0.02 0.02) = 0.270% T HB3 GLU- 56 - HA GLU- 12 0.952% * 0.2697% (0.44 1.0 10.00 0.02 0.02) = 0.270% T HB3 LYS+ 55 - HA GLU- 10 0.952% * 0.2665% (0.44 1.0 10.00 0.02 0.02) = 0.266% T HB3 LYS+ 55 - HA LYS+ 108 0.952% * 0.2659% (0.44 1.0 10.00 0.02 0.02) = 0.266% T HB2 GLU- 75 - HA GLU- 10 0.952% * 0.1931% (0.32 1.0 10.00 0.02 0.02) = 0.193% T HB3 GLU- 56 - HA GLU- 10 0.952% * 0.1931% (0.32 1.0 10.00 0.02 0.02) = 0.193% T HB2 GLU- 75 - HA LYS+ 108 0.952% * 0.1927% (0.32 1.0 10.00 0.02 0.02) = 0.193% T HB3 GLU- 56 - HA LYS+ 108 0.952% * 0.1927% (0.32 1.0 10.00 0.02 0.02) = 0.193% HG2 PRO 112 - HA GLU- 10 0.952% * 0.1836% (0.25 1.0 1.00 0.24 0.02) = 0.184% T HB2 GLU- 10 - HA GLU- 12 0.952% * 0.1278% (0.21 1.0 10.00 0.02 0.02) = 0.128% T HB VAL 13 - HA GLU- 107 0.952% * 0.1189% (0.20 1.0 10.00 0.02 0.02) = 0.119% T HB2 PRO 35 - HA GLU- 107 0.952% * 0.1135% (0.19 1.0 10.00 0.02 0.02) = 0.114% HG2 PRO 112 - HA ASP- 82 0.952% * 0.1083% (0.07 1.0 1.00 0.48 0.02) = 0.108% T HB VAL 13 - HA ASP- 82 0.952% * 0.1067% (0.18 1.0 10.00 0.02 0.02) = 0.107% T HB2 PRO 35 - HA ASP- 82 0.952% * 0.1018% (0.17 1.0 10.00 0.02 0.02) = 0.102% T HB2 LYS+ 108 - HA GLU- 12 0.952% * 0.1015% (0.17 1.0 10.00 0.02 0.02) = 0.101% T HB2 PRO 116 - HA GLU- 10 0.952% * 0.0915% (0.15 1.0 10.00 0.02 0.02) = 0.092% T HB2 GLU- 10 - HA LYS+ 108 0.952% * 0.0913% (0.15 1.0 10.00 0.02 0.02) = 0.091% T HB2 PRO 116 - HA LYS+ 108 0.952% * 0.0913% (0.15 1.0 10.00 0.02 0.02) = 0.091% T HB3 LYS+ 55 - HA GLU- 107 0.952% * 0.0871% (0.14 1.0 10.00 0.02 0.02) = 0.087% T HB VAL 73 - HA ASP- 82 0.952% * 0.0782% (0.13 1.0 10.00 0.02 0.02) = 0.078% T HB3 LYS+ 55 - HA ASP- 82 0.952% * 0.0782% (0.13 1.0 10.00 0.02 0.12) = 0.078% T HB2 LYS+ 108 - HA GLU- 10 0.952% * 0.0726% (0.12 1.0 10.00 0.02 0.02) = 0.073% T HB2 GLU- 75 - HA GLU- 107 0.952% * 0.0631% (0.10 1.0 10.00 0.02 0.02) = 0.063% T HB3 GLU- 56 - HA GLU- 107 0.952% * 0.0631% (0.10 1.0 10.00 0.02 0.02) = 0.063% T HB2 GLU- 75 - HA ASP- 82 0.952% * 0.0566% (0.09 1.0 10.00 0.02 0.02) = 0.057% T HB3 GLU- 56 - HA ASP- 82 0.952% * 0.0566% (0.09 1.0 10.00 0.02 0.02) = 0.057% HB3 GLU- 109 - HA GLU- 12 0.952% * 0.0512% (0.84 1.0 1.00 0.02 0.02) = 0.051% HG3 PRO 116 - HA GLU- 12 0.952% * 0.0503% (0.83 1.0 1.00 0.02 0.02) = 0.050% HG3 PRO 31 - HA GLU- 12 0.952% * 0.0392% (0.65 1.0 1.00 0.02 0.02) = 0.039% HB VAL 73 - HA GLU- 12 0.952% * 0.0372% (0.61 1.0 1.00 0.02 0.02) = 0.037% T HB2 PRO 86 - HA ASP- 82 0.952% * 0.0367% (0.06 1.0 10.00 0.02 0.02) = 0.037% HG3 PRO 116 - HA GLU- 10 0.952% * 0.0360% (0.59 1.0 1.00 0.02 0.02) = 0.036% HG3 PRO 116 - HA LYS+ 108 0.952% * 0.0359% (0.59 1.0 1.00 0.02 0.02) = 0.036% HG3 PRO 104 - HA GLU- 12 0.952% * 0.0332% (0.55 1.0 1.00 0.02 0.02) = 0.033% T HB3 GLU- 109 - HA ASN 119 0.952% * 0.0304% (0.05 1.0 10.00 0.02 0.02) = 0.030% T HB VAL 13 - HA ASN 119 0.952% * 0.0302% (0.05 1.0 10.00 0.02 0.32) = 0.030% T HB2 PRO 116 - HA GLU- 107 0.952% * 0.0299% (0.05 1.0 10.00 0.02 0.02) = 0.030% T HB2 GLU- 10 - HA GLU- 107 0.952% * 0.0299% (0.05 1.0 10.00 0.02 0.02) = 0.030% T HB2 PRO 35 - HA ASN 119 0.952% * 0.0289% (0.05 1.0 10.00 0.02 0.02) = 0.029% HG3 PRO 31 - HA GLU- 10 0.952% * 0.0280% (0.46 1.0 1.00 0.02 0.02) = 0.028% HG3 PRO 31 - HA LYS+ 108 0.952% * 0.0280% (0.46 1.0 1.00 0.02 0.02) = 0.028% T HB2 PRO 116 - HA ASP- 82 0.952% * 0.0268% (0.04 1.0 10.00 0.02 0.02) = 0.027% T HB2 GLU- 10 - HA ASP- 82 0.952% * 0.0268% (0.04 1.0 10.00 0.02 0.02) = 0.027% HB VAL 73 - HA GLU- 10 0.952% * 0.0266% (0.44 1.0 1.00 0.02 0.02) = 0.027% HB VAL 73 - HA LYS+ 108 0.952% * 0.0266% (0.44 1.0 1.00 0.02 0.02) = 0.027% HG3 PRO 104 - HA GLU- 10 0.952% * 0.0237% (0.39 1.0 1.00 0.02 0.02) = 0.024% HG3 PRO 104 - HA LYS+ 108 0.952% * 0.0237% (0.39 1.0 1.00 0.02 0.02) = 0.024% T HB3 LYS+ 55 - HA ASN 119 0.952% * 0.0222% (0.04 1.0 10.00 0.02 0.02) = 0.022% T HB3 GLU- 109 - HA ASN 76 0.952% * 0.0215% (0.04 1.0 10.00 0.02 0.02) = 0.022% T HB VAL 13 - HA ASN 76 0.952% * 0.0214% (0.04 1.0 10.00 0.02 0.02) = 0.021% T HB2 LYS+ 108 - HA ASP- 82 0.952% * 0.0213% (0.04 1.0 10.00 0.02 0.02) = 0.021% T HB2 PRO 35 - HA ASN 76 0.952% * 0.0204% (0.03 1.0 10.00 0.02 0.02) = 0.020% HB2 PRO 86 - HA GLU- 12 0.952% * 0.0175% (0.29 1.0 1.00 0.02 0.02) = 0.017% T HB2 GLU- 75 - HA ASN 119 0.952% * 0.0161% (0.03 1.0 10.00 0.02 0.02) = 0.016% T HB3 GLU- 56 - HA ASN 119 0.952% * 0.0161% (0.03 1.0 10.00 0.02 0.02) = 0.016% T HB3 LYS+ 55 - HA ASN 76 0.952% * 0.0157% (0.03 1.0 10.00 0.02 0.02) = 0.016% HG2 PRO 112 - HA LYS+ 108 0.952% * 0.0154% (0.25 1.0 1.00 0.02 0.02) = 0.015% HB2 PRO 86 - HA GLU- 10 0.952% * 0.0125% (0.21 1.0 1.00 0.02 0.02) = 0.013% HB2 PRO 86 - HA LYS+ 108 0.952% * 0.0125% (0.21 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 116 - HA GLU- 107 0.952% * 0.0118% (0.19 1.0 1.00 0.02 0.02) = 0.012% T HB2 GLU- 75 - HA ASN 76 0.952% * 0.0114% (0.02 1.0 10.00 0.02 0.02) = 0.011% T HB3 GLU- 56 - HA ASN 76 0.952% * 0.0114% (0.02 1.0 10.00 0.02 0.02) = 0.011% HB3 GLU- 109 - HA ASP- 82 0.952% * 0.0107% (0.18 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 116 - HA ASP- 82 0.952% * 0.0106% (0.17 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 31 - HA GLU- 107 0.952% * 0.0092% (0.15 1.0 1.00 0.02 0.02) = 0.009% HB VAL 73 - HA GLU- 107 0.952% * 0.0087% (0.14 1.0 1.00 0.02 0.11) = 0.009% HG2 PRO 112 - HA ASN 76 0.952% * 0.0084% (0.01 1.0 1.00 0.19 0.02) = 0.008% HG3 PRO 31 - HA ASP- 82 0.952% * 0.0082% (0.14 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 104 - HA GLU- 107 0.952% * 0.0078% (0.13 1.0 1.00 0.02 0.02) = 0.008% T HB2 GLU- 10 - HA ASN 119 0.952% * 0.0076% (0.01 1.0 10.00 0.02 0.02) = 0.008% T HB2 PRO 116 - HA ASN 119 0.952% * 0.0076% (0.01 1.0 10.00 0.02 0.02) = 0.008% HG3 PRO 104 - HA ASP- 82 0.952% * 0.0070% (0.11 1.0 1.00 0.02 0.02) = 0.007% T HB2 LYS+ 108 - HA ASN 119 0.952% * 0.0060% (0.01 1.0 10.00 0.02 0.02) = 0.006% T HB2 PRO 116 - HA ASN 76 0.952% * 0.0054% (0.01 1.0 10.00 0.02 0.02) = 0.005% T HB2 GLU- 10 - HA ASN 76 0.952% * 0.0054% (0.01 1.0 10.00 0.02 0.02) = 0.005% HG2 PRO 112 - HA GLU- 107 0.952% * 0.0050% (0.08 1.0 1.00 0.02 0.02) = 0.005% T HB2 LYS+ 108 - HA ASN 76 0.952% * 0.0043% (0.01 1.0 10.00 0.02 0.02) = 0.004% HB2 PRO 86 - HA GLU- 107 0.952% * 0.0041% (0.07 1.0 1.00 0.02 0.02) = 0.004% HG3 PRO 116 - HA ASN 119 0.952% * 0.0030% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 31 - HA ASN 119 0.952% * 0.0023% (0.04 1.0 1.00 0.02 0.02) = 0.002% HB VAL 73 - HA ASN 119 0.952% * 0.0022% (0.04 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 116 - HA ASN 76 0.952% * 0.0021% (0.03 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 104 - HA ASN 119 0.952% * 0.0020% (0.03 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 31 - HA ASN 76 0.952% * 0.0016% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB VAL 73 - HA ASN 76 0.952% * 0.0016% (0.03 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 104 - HA ASN 76 0.952% * 0.0014% (0.02 1.0 1.00 0.02 0.02) = 0.001% HG2 PRO 112 - HA ASN 119 0.952% * 0.0013% (0.02 1.0 1.00 0.02 0.02) = 0.001% HB2 PRO 86 - HA ASN 119 0.952% * 0.0010% (0.02 1.0 1.00 0.02 0.02) = 0.001% HB2 PRO 86 - HA ASN 76 0.952% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1053 (1.40, 4.21, 56.79 ppm): 84 chemical-shift based assignments, quality = 0.393, support = 0.43, residual support = 0.0622: HG13 ILE 100 - HA LYS+ 108 1.190% * 27.7650% (0.46 0.77 0.02) = 27.765% kept QB ALA 93 - HA GLU- 12 1.190% * 24.3398% (0.77 0.41 0.13) = 24.340% kept QB ALA 91 - HA GLU- 12 1.190% * 7.2573% (0.22 0.42 0.14) = 7.257% kept QB ALA 93 - HA ASP- 82 1.190% * 6.9833% (0.17 0.54 0.16) = 6.983% kept HD3 LYS+ 44 - HA LYS+ 108 1.190% * 5.5295% (0.18 0.39 0.02) = 5.530% kept HD3 LYS+ 44 - HA GLU- 10 1.190% * 4.4441% (0.18 0.32 0.02) = 4.444% kept QG2 THR 38 - HA LYS+ 108 1.190% * 2.8921% (0.11 0.35 0.02) = 2.892% kept HG13 ILE 100 - HA ASP- 82 1.190% * 1.6936% (0.17 0.13 0.02) = 1.694% kept HG13 ILE 100 - HA GLU- 12 1.190% * 1.1916% (0.77 0.02 0.02) = 1.192% kept HD3 LYS+ 20 - HA GLU- 12 1.190% * 1.1680% (0.75 0.02 0.02) = 1.168% kept HG LEU 67 - HA GLU- 12 1.190% * 1.1680% (0.75 0.02 0.02) = 1.168% kept QB ALA 37 - HA GLU- 12 1.190% * 0.9887% (0.64 0.02 0.02) = 0.989% QB ALA 93 - HA GLU- 10 1.190% * 0.7238% (0.47 0.02 0.02) = 0.724% HG13 ILE 100 - HA GLU- 10 1.190% * 0.7238% (0.47 0.02 0.02) = 0.724% QB ALA 93 - HA LYS+ 108 1.190% * 0.7211% (0.46 0.02 0.02) = 0.721% HD3 LYS+ 20 - HA GLU- 10 1.190% * 0.7095% (0.46 0.02 0.02) = 0.709% HG LEU 67 - HA GLU- 10 1.190% * 0.7095% (0.46 0.02 0.02) = 0.709% HD3 LYS+ 20 - HA LYS+ 108 1.190% * 0.7068% (0.45 0.02 0.02) = 0.707% HG LEU 67 - HA LYS+ 108 1.190% * 0.7068% (0.45 0.02 0.02) = 0.707% HG13 ILE 68 - HA GLU- 12 1.190% * 0.6991% (0.45 0.02 0.02) = 0.699% QB ALA 37 - HA GLU- 10 1.190% * 0.6006% (0.39 0.02 0.02) = 0.601% QB ALA 37 - HA LYS+ 108 1.190% * 0.5983% (0.38 0.02 0.02) = 0.598% QG2 THR 39 - HA GLU- 12 1.190% * 0.4634% (0.30 0.02 0.02) = 0.463% HD3 LYS+ 44 - HA GLU- 12 1.190% * 0.4634% (0.30 0.02 0.02) = 0.463% HG13 ILE 68 - HA GLU- 10 1.190% * 0.4246% (0.27 0.02 0.02) = 0.425% HG13 ILE 68 - HA LYS+ 108 1.190% * 0.4230% (0.27 0.02 0.02) = 0.423% QG2 THR 39 - HA GLU- 10 1.190% * 0.2815% (0.18 0.02 0.02) = 0.281% QG2 THR 39 - HA LYS+ 108 1.190% * 0.2804% (0.18 0.02 0.02) = 0.280% HG2 LYS+ 78 - HA GLU- 12 1.190% * 0.2749% (0.18 0.02 0.02) = 0.275% QG2 THR 38 - HA GLU- 12 1.190% * 0.2749% (0.18 0.02 0.02) = 0.275% HD3 LYS+ 20 - HA ASP- 82 1.190% * 0.2546% (0.16 0.02 0.02) = 0.255% HG LEU 67 - HA ASP- 82 1.190% * 0.2546% (0.16 0.02 0.02) = 0.255% QB ALA 37 - HA ASP- 82 1.190% * 0.2156% (0.14 0.02 0.02) = 0.216% QB ALA 91 - HA GLU- 10 1.190% * 0.2085% (0.13 0.02 0.02) = 0.209% QB ALA 91 - HA LYS+ 108 1.190% * 0.2077% (0.13 0.02 0.02) = 0.208% QB ALA 93 - HA GLU- 107 1.190% * 0.2030% (0.13 0.02 0.02) = 0.203% HG13 ILE 100 - HA GLU- 107 1.190% * 0.2030% (0.13 0.02 0.02) = 0.203% HD3 LYS+ 20 - HA GLU- 107 1.190% * 0.1990% (0.13 0.02 0.02) = 0.199% HG LEU 67 - HA GLU- 107 1.190% * 0.1990% (0.13 0.02 0.02) = 0.199% HD3 LYS+ 113 - HA GLU- 12 1.190% * 0.1905% (0.12 0.02 0.02) = 0.191% QB ALA 37 - HA GLU- 107 1.190% * 0.1685% (0.11 0.02 0.02) = 0.168% HG2 LYS+ 78 - HA GLU- 10 1.190% * 0.1670% (0.11 0.02 0.02) = 0.167% QG2 THR 38 - HA GLU- 10 1.190% * 0.1670% (0.11 0.02 0.02) = 0.167% HG2 LYS+ 78 - HA LYS+ 108 1.190% * 0.1663% (0.11 0.02 0.02) = 0.166% HG13 ILE 68 - HA ASP- 82 1.190% * 0.1524% (0.10 0.02 0.02) = 0.152% HG13 ILE 68 - HA GLU- 107 1.190% * 0.1191% (0.08 0.02 0.02) = 0.119% HD3 LYS+ 113 - HA GLU- 10 1.190% * 0.1157% (0.07 0.02 0.02) = 0.116% HD3 LYS+ 113 - HA LYS+ 108 1.190% * 0.1153% (0.07 0.02 0.02) = 0.115% QG2 THR 39 - HA ASP- 82 1.190% * 0.1010% (0.06 0.02 0.02) = 0.101% HD3 LYS+ 44 - HA ASP- 82 1.190% * 0.1010% (0.06 0.02 0.02) = 0.101% QG2 THR 39 - HA GLU- 107 1.190% * 0.0790% (0.05 0.02 0.02) = 0.079% HD3 LYS+ 44 - HA GLU- 107 1.190% * 0.0790% (0.05 0.02 0.02) = 0.079% QB ALA 91 - HA ASP- 82 1.190% * 0.0748% (0.05 0.02 0.02) = 0.075% HG2 LYS+ 78 - HA ASP- 82 1.190% * 0.0599% (0.04 0.02 0.92) = 0.060% QG2 THR 38 - HA ASP- 82 1.190% * 0.0599% (0.04 0.02 0.02) = 0.060% QB ALA 91 - HA GLU- 107 1.190% * 0.0585% (0.04 0.02 0.02) = 0.058% QB ALA 93 - HA ASN 119 1.190% * 0.0579% (0.04 0.02 0.02) = 0.058% HG13 ILE 100 - HA ASN 119 1.190% * 0.0579% (0.04 0.02 0.02) = 0.058% HD3 LYS+ 20 - HA ASN 119 1.190% * 0.0567% (0.04 0.02 0.12) = 0.057% HG LEU 67 - HA ASN 119 1.190% * 0.0567% (0.04 0.02 0.02) = 0.057% QB ALA 37 - HA ASN 119 1.190% * 0.0480% (0.03 0.02 0.02) = 0.048% HG2 LYS+ 78 - HA GLU- 107 1.190% * 0.0468% (0.03 0.02 0.02) = 0.047% QG2 THR 38 - HA GLU- 107 1.190% * 0.0468% (0.03 0.02 0.02) = 0.047% QB ALA 93 - HA ASN 76 1.190% * 0.0420% (0.03 0.02 0.02) = 0.042% HG13 ILE 100 - HA ASN 76 1.190% * 0.0420% (0.03 0.02 0.02) = 0.042% HD3 LYS+ 113 - HA ASP- 82 1.190% * 0.0415% (0.03 0.02 0.02) = 0.042% HD3 LYS+ 20 - HA ASN 76 1.190% * 0.0412% (0.03 0.02 0.02) = 0.041% HG LEU 67 - HA ASN 76 1.190% * 0.0412% (0.03 0.02 0.02) = 0.041% QB ALA 37 - HA ASN 76 1.190% * 0.0349% (0.02 0.02 0.02) = 0.035% HG13 ILE 68 - HA ASN 119 1.190% * 0.0340% (0.02 0.02 0.54) = 0.034% HD3 LYS+ 113 - HA GLU- 107 1.190% * 0.0325% (0.02 0.02 0.02) = 0.032% HG13 ILE 68 - HA ASN 76 1.190% * 0.0247% (0.02 0.02 0.02) = 0.025% QG2 THR 39 - HA ASN 119 1.190% * 0.0225% (0.01 0.02 0.02) = 0.023% HD3 LYS+ 44 - HA ASN 119 1.190% * 0.0225% (0.01 0.02 0.02) = 0.023% QB ALA 91 - HA ASN 119 1.190% * 0.0167% (0.01 0.02 0.02) = 0.017% QG2 THR 39 - HA ASN 76 1.190% * 0.0163% (0.01 0.02 0.02) = 0.016% HD3 LYS+ 44 - HA ASN 76 1.190% * 0.0163% (0.01 0.02 0.02) = 0.016% HG2 LYS+ 78 - HA ASN 119 1.190% * 0.0134% (0.01 0.02 0.02) = 0.013% QG2 THR 38 - HA ASN 119 1.190% * 0.0134% (0.01 0.02 0.02) = 0.013% QB ALA 91 - HA ASN 76 1.190% * 0.0121% (0.01 0.02 0.02) = 0.012% HG2 LYS+ 78 - HA ASN 76 1.190% * 0.0097% (0.01 0.02 0.02) = 0.010% QG2 THR 38 - HA ASN 76 1.190% * 0.0097% (0.01 0.02 0.02) = 0.010% HD3 LYS+ 113 - HA ASN 119 1.190% * 0.0093% (0.01 0.02 0.02) = 0.009% HD3 LYS+ 113 - HA ASN 76 1.190% * 0.0067% (0.00 0.02 0.02) = 0.007% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1054 (0.89, 4.23, 56.68 ppm): 72 chemical-shift based assignments, quality = 0.137, support = 0.84, residual support = 0.856: QG2 VAL 40 - HA ASN 76 1.389% * 25.0796% (0.17 1.69 2.07) = 25.080% kept QG2 VAL 40 - HA ASN 119 1.389% * 20.0822% (0.21 1.10 1.30) = 20.082% kept QG2 VAL 40 - HA GLU- 75 1.389% * 7.6788% (0.05 1.73 0.85) = 7.679% kept HG3 LYS+ 117 - HA GLU- 12 1.389% * 5.7467% (0.25 0.26 0.02) = 5.747% kept QD1 LEU 67 - HA ASN 119 1.389% * 3.7719% (0.17 0.25 0.02) = 3.772% kept QG1 VAL 47 - HA GLU- 75 1.389% * 2.1012% (0.05 0.52 0.02) = 2.101% kept QD1 LEU 67 - HA GLU- 107 1.389% * 2.0098% (0.23 0.10 0.02) = 2.010% kept QD1 LEU 67 - HA GLU- 75 1.389% * 1.9413% (0.04 0.53 0.26) = 1.941% kept QG2 ILE 100 - HA LYS+ 108 1.389% * 1.9254% (0.16 0.14 0.02) = 1.925% kept HG3 LYS+ 117 - HA GLU- 75 1.389% * 1.3096% (0.04 0.41 0.02) = 1.310% kept QG2 VAL 125 - HA ASN 76 1.389% * 1.2038% (0.17 0.08 0.02) = 1.204% kept QG1 VAL 80 - HA GLU- 10 1.389% * 1.1613% (0.66 0.02 0.02) = 1.161% kept QG2 VAL 125 - HA GLU- 75 1.389% * 1.1424% (0.05 0.26 0.02) = 1.142% kept QG1 VAL 80 - HA LYS+ 108 1.389% * 1.1398% (0.64 0.02 0.02) = 1.140% kept QG1 VAL 47 - HA ASN 76 1.389% * 1.0635% (0.15 0.08 0.02) = 1.064% kept QG2 VAL 125 - HA GLU- 10 1.389% * 0.9700% (0.55 0.02 0.02) = 0.970% QG2 VAL 87 - HA GLU- 10 1.389% * 0.9700% (0.55 0.02 0.02) = 0.970% QG2 VAL 40 - HA GLU- 10 1.389% * 0.9700% (0.55 0.02 0.02) = 0.970% QG2 VAL 87 - HA LYS+ 108 1.389% * 0.9520% (0.54 0.02 0.02) = 0.952% QG2 VAL 125 - HA LYS+ 108 1.389% * 0.9520% (0.54 0.02 0.02) = 0.952% QG2 VAL 40 - HA LYS+ 108 1.389% * 0.9520% (0.54 0.02 0.02) = 0.952% QG1 VAL 47 - HA GLU- 10 1.389% * 0.8875% (0.50 0.02 0.02) = 0.887% QG1 VAL 47 - HA LYS+ 108 1.389% * 0.8710% (0.49 0.02 0.02) = 0.871% QD1 LEU 67 - HA GLU- 10 1.389% * 0.7977% (0.45 0.02 0.02) = 0.798% QD1 LEU 67 - HA LYS+ 108 1.389% * 0.7829% (0.44 0.02 0.02) = 0.783% QG1 VAL 80 - HA GLU- 12 1.389% * 0.7368% (0.42 0.02 0.02) = 0.737% HG3 LYS+ 117 - HA GLU- 10 1.389% * 0.7043% (0.40 0.02 0.02) = 0.704% HG3 LYS+ 117 - HA LYS+ 108 1.389% * 0.6913% (0.39 0.02 0.02) = 0.691% QG2 VAL 87 - HA GLU- 12 1.389% * 0.6155% (0.35 0.02 0.02) = 0.615% QG2 VAL 125 - HA GLU- 12 1.389% * 0.6155% (0.35 0.02 0.02) = 0.615% QG2 VAL 40 - HA GLU- 12 1.389% * 0.6155% (0.35 0.02 0.02) = 0.615% QG1 VAL 80 - HA GLU- 107 1.389% * 0.5797% (0.33 0.02 0.02) = 0.580% QG1 VAL 47 - HA GLU- 12 1.389% * 0.5631% (0.32 0.02 0.02) = 0.563% QD1 LEU 67 - HA GLU- 12 1.389% * 0.5061% (0.29 0.02 0.02) = 0.506% QG2 VAL 87 - HA GLU- 107 1.389% * 0.4842% (0.27 0.02 0.02) = 0.484% QG2 VAL 40 - HA GLU- 107 1.389% * 0.4842% (0.27 0.02 0.02) = 0.484% QG2 VAL 125 - HA GLU- 107 1.389% * 0.4842% (0.27 0.02 0.02) = 0.484% QG1 VAL 47 - HA GLU- 107 1.389% * 0.4431% (0.25 0.02 0.02) = 0.443% QG1 VAL 80 - HA ASN 119 1.389% * 0.4359% (0.25 0.02 0.02) = 0.436% QG2 VAL 125 - HA ASN 119 1.389% * 0.3641% (0.21 0.02 0.02) = 0.364% QG2 VAL 87 - HA ASN 119 1.389% * 0.3641% (0.21 0.02 0.02) = 0.364% QG1 VAL 80 - HA ASN 76 1.389% * 0.3546% (0.20 0.02 0.02) = 0.355% HG3 LYS+ 117 - HA GLU- 107 1.389% * 0.3516% (0.20 0.02 0.02) = 0.352% QG1 VAL 47 - HA ASN 119 1.389% * 0.3331% (0.19 0.02 0.21) = 0.333% QG2 VAL 87 - HA ASN 76 1.389% * 0.2962% (0.17 0.02 0.02) = 0.296% QG2 ILE 100 - HA GLU- 10 1.389% * 0.2896% (0.16 0.02 0.02) = 0.290% HG3 LYS+ 117 - HA ASN 119 1.389% * 0.2644% (0.15 0.02 0.02) = 0.264% QD1 LEU 90 - HA GLU- 10 1.389% * 0.2585% (0.15 0.02 0.02) = 0.259% QD1 LEU 90 - HA LYS+ 108 1.389% * 0.2538% (0.14 0.02 0.02) = 0.254% QD1 LEU 67 - HA ASN 76 1.389% * 0.2436% (0.14 0.02 0.02) = 0.244% HG3 LYS+ 117 - HA ASN 76 1.389% * 0.2151% (0.12 0.02 0.02) = 0.215% QG2 ILE 100 - HA GLU- 12 1.389% * 0.1837% (0.10 0.02 0.02) = 0.184% QD1 LEU 90 - HA GLU- 12 1.389% * 0.1640% (0.09 0.02 0.02) = 0.164% QG2 ILE 100 - HA GLU- 107 1.389% * 0.1446% (0.08 0.02 0.02) = 0.145% QD1 LEU 90 - HA GLU- 107 1.389% * 0.1291% (0.07 0.02 0.02) = 0.129% QG1 VAL 80 - HA GLU- 64 1.389% * 0.1242% (0.07 0.02 0.02) = 0.124% QG2 ILE 100 - HA ASN 119 1.389% * 0.1087% (0.06 0.02 0.02) = 0.109% QG1 VAL 80 - HA GLU- 75 1.389% * 0.1064% (0.06 0.02 0.02) = 0.106% QG2 VAL 40 - HA GLU- 64 1.389% * 0.1037% (0.06 0.02 0.02) = 0.104% QG2 VAL 87 - HA GLU- 64 1.389% * 0.1037% (0.06 0.02 0.02) = 0.104% QG2 VAL 125 - HA GLU- 64 1.389% * 0.1037% (0.06 0.02 0.02) = 0.104% QD1 LEU 90 - HA ASN 119 1.389% * 0.0970% (0.05 0.02 0.02) = 0.097% QG1 VAL 47 - HA GLU- 64 1.389% * 0.0949% (0.05 0.02 0.51) = 0.095% QG2 VAL 87 - HA GLU- 75 1.389% * 0.0889% (0.05 0.02 0.02) = 0.089% QG2 ILE 100 - HA ASN 76 1.389% * 0.0884% (0.05 0.02 0.02) = 0.088% QD1 LEU 67 - HA GLU- 64 1.389% * 0.0853% (0.05 0.02 0.16) = 0.085% QD1 LEU 90 - HA ASN 76 1.389% * 0.0789% (0.04 0.02 0.02) = 0.079% HG3 LYS+ 117 - HA GLU- 64 1.389% * 0.0753% (0.04 0.02 0.02) = 0.075% QG2 ILE 100 - HA GLU- 64 1.389% * 0.0310% (0.02 0.02 0.02) = 0.031% QD1 LEU 90 - HA GLU- 64 1.389% * 0.0276% (0.02 0.02 0.02) = 0.028% QG2 ILE 100 - HA GLU- 75 1.389% * 0.0265% (0.01 0.02 0.02) = 0.027% QD1 LEU 90 - HA GLU- 75 1.389% * 0.0237% (0.01 0.02 0.39) = 0.024% Not enough quality. Peak unassigned. Peak 1056 (8.09, 3.94, 56.35 ppm): 7 chemical-shift based assignments, quality = 0.695, support = 4.14, residual support = 26.1: * O HN GLU- 75 - HA LEU 74 14.286% * 93.5908% (0.69 10.0 4.38 27.89) = 93.591% kept HN CYS 121 - HA LEU 74 14.286% * 3.9533% (0.76 1.0 0.77 0.02) = 3.953% kept HN VAL 122 - HA LEU 74 14.286% * 2.2806% (0.88 1.0 0.38 0.02) = 2.281% kept HN LYS+ 110 - HA LEU 74 14.286% * 0.1032% (0.76 1.0 0.02 0.02) = 0.103% HN SER 88 - HA LEU 74 14.286% * 0.0321% (0.24 1.0 0.02 0.02) = 0.032% HN MET 118 - HA LEU 74 14.286% * 0.0226% (0.17 1.0 0.02 0.02) = 0.023% HN GLY 26 - HA LEU 74 14.286% * 0.0174% (0.13 1.0 0.02 0.02) = 0.017% Peak 1087 (3.94, 3.94, 56.31 ppm): 1 diagonal assignment: * HA LEU 74 - HA LEU 74 (0.95) kept Peak 1088 (3.71, 4.36, 56.50 ppm): 6 chemical-shift based assignments, quality = 0.646, support = 4.75, residual support = 96.5: * O T HB2 TRP 51 - HA TRP 51 16.667% * 98.6942% (0.65 10.0 10.00 4.81 97.75) = 98.694% kept T HB2 TRP 51 - HA LYS+ 60 16.667% * 0.8901% (0.59 1.0 10.00 0.02 0.02) = 0.890% HB3 SER 69 - HA TRP 51 16.667% * 0.1135% (0.75 1.0 1.00 0.02 0.02) = 0.114% HA LYS+ 81 - HA TRP 51 16.667% * 0.1050% (0.70 1.0 1.00 0.02 0.02) = 0.105% HB3 SER 69 - HA LYS+ 60 16.667% * 0.1024% (0.68 1.0 1.00 0.02 0.02) = 0.102% HA LYS+ 81 - HA LYS+ 60 16.667% * 0.0947% (0.63 1.0 1.00 0.02 0.13) = 0.095% Peak 1090 (3.28, 4.35, 56.42 ppm): 8 chemical-shift based assignments, quality = 0.473, support = 3.64, residual support = 18.5: O T HD2 PRO 52 - HA TRP 51 12.500% * 95.9851% (0.48 10.0 10.00 3.77 19.28) = 95.985% kept HD3 ARG+ 53 - HA TRP 51 12.500% * 2.5294% (0.45 1.0 1.00 0.57 0.02) = 2.529% kept T HD2 PRO 52 - HA LYS+ 60 12.500% * 0.9923% (0.50 1.0 10.00 0.02 0.02) = 0.992% HE3 LYS+ 63 - HA LYS+ 60 12.500% * 0.1019% (0.51 1.0 1.00 0.02 1.04) = 0.102% HD3 ARG+ 22 - HA LYS+ 60 12.500% * 0.1019% (0.51 1.0 1.00 0.02 0.02) = 0.102% HE3 LYS+ 63 - HA TRP 51 12.500% * 0.0986% (0.49 1.0 1.00 0.02 1.40) = 0.099% HD3 ARG+ 22 - HA TRP 51 12.500% * 0.0986% (0.49 1.0 1.00 0.02 0.02) = 0.099% HD3 ARG+ 53 - HA LYS+ 60 12.500% * 0.0922% (0.46 1.0 1.00 0.02 0.02) = 0.092% Peak 1091 (2.88, 4.24, 56.44 ppm): 14 chemical-shift based assignments, quality = 0.143, support = 0.02, residual support = 0.11: HB3 ASN 57 - HA ASN 76 7.143% * 18.2512% (0.22 0.02 0.02) = 18.251% kept HB3 ASN 57 - HA ASN 119 7.143% * 17.3553% (0.21 0.02 0.02) = 17.355% kept HE3 LYS+ 81 - HA ASN 76 7.143% * 14.6144% (0.17 0.02 0.02) = 14.614% kept HE3 LYS+ 81 - HA ASN 119 7.143% * 13.8970% (0.17 0.02 0.02) = 13.897% kept HB3 ASN 57 - HA GLU- 109 7.143% * 7.5029% (0.09 0.02 0.02) = 7.503% kept HE3 LYS+ 81 - HA GLU- 109 7.143% * 6.0079% (0.07 0.02 0.02) = 6.008% kept HB3 ASN 57 - HA GLU- 10 7.143% * 3.8022% (0.05 0.02 0.02) = 3.802% kept HB3 ASN 57 - HA LYS+ 108 7.143% * 3.6242% (0.04 0.02 0.02) = 3.624% kept HB3 ASN 57 - HA GLU- 107 7.143% * 3.4282% (0.04 0.02 0.02) = 3.428% kept HE3 LYS+ 81 - HA GLU- 10 7.143% * 3.0446% (0.04 0.02 0.02) = 3.045% kept HE3 LYS+ 81 - HA LYS+ 108 7.143% * 2.9021% (0.03 0.02 0.02) = 2.902% kept HE3 LYS+ 81 - HA GLU- 107 7.143% * 2.7451% (0.03 0.02 0.02) = 2.745% kept HB3 ASN 57 - HA ARG+ 84 7.143% * 1.5687% (0.02 0.02 0.02) = 1.569% kept HE3 LYS+ 81 - HA ARG+ 84 7.143% * 1.2561% (0.01 0.02 7.16) = 1.256% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1092 (2.48, 4.25, 56.44 ppm): 35 chemical-shift based assignments, quality = 0.616, support = 0.987, residual support = 1.41: HB VAL 40 - HA ASN 76 2.857% * 40.0875% (0.76 1.08 2.07) = 40.088% kept HB VAL 40 - HA ASN 119 2.857% * 38.8472% (0.74 1.09 1.30) = 38.847% kept HG3 GLU- 45 - HA GLU- 10 2.857% * 5.2572% (0.08 1.36 0.85) = 5.257% kept HG3 GLU- 45 - HA LYS+ 108 2.857% * 4.4175% (0.08 1.20 0.59) = 4.418% kept HG2 PRO 112 - HA ASN 76 2.857% * 3.7682% (0.42 0.19 0.02) = 3.768% kept HG2 PRO 112 - HA ARG+ 84 2.857% * 0.7782% (0.05 0.31 0.02) = 0.778% HG2 PRO 112 - HA GLU- 10 2.857% * 0.7082% (0.06 0.24 0.02) = 0.708% HG3 MET 118 - HA ASN 76 2.857% * 0.6365% (0.66 0.02 0.02) = 0.637% HG3 PRO 35 - HA ASN 76 2.857% * 0.6365% (0.66 0.02 0.02) = 0.637% HG3 PRO 35 - HA ASN 119 2.857% * 0.6137% (0.63 0.02 0.02) = 0.614% HG3 MET 118 - HA ASN 119 2.857% * 0.6137% (0.63 0.02 0.02) = 0.614% HG3 GLU- 45 - HA ASN 76 2.857% * 0.5246% (0.54 0.02 0.02) = 0.525% HG3 GLU- 45 - HA ASN 119 2.857% * 0.5058% (0.52 0.02 0.02) = 0.506% HG2 PRO 112 - HA ASN 119 2.857% * 0.3906% (0.40 0.02 0.02) = 0.391% HB VAL 40 - HA GLU- 109 2.857% * 0.1836% (0.19 0.02 0.02) = 0.184% HG3 PRO 35 - HA GLU- 109 2.857% * 0.1575% (0.16 0.02 0.02) = 0.158% HG3 MET 118 - HA GLU- 109 2.857% * 0.1575% (0.16 0.02 0.02) = 0.158% HB VAL 40 - HA GLU- 107 2.857% * 0.1357% (0.14 0.02 0.02) = 0.136% HG3 GLU- 45 - HA GLU- 109 2.857% * 0.1298% (0.13 0.02 0.02) = 0.130% HG3 PRO 35 - HA GLU- 107 2.857% * 0.1164% (0.12 0.02 0.02) = 0.116% HG3 MET 118 - HA GLU- 107 2.857% * 0.1164% (0.12 0.02 0.02) = 0.116% HB VAL 40 - HA GLU- 10 2.857% * 0.1090% (0.11 0.02 0.02) = 0.109% HB VAL 40 - HA LYS+ 108 2.857% * 0.1038% (0.11 0.02 0.02) = 0.104% HG2 PRO 112 - HA GLU- 109 2.857% * 0.1002% (0.10 0.02 0.02) = 0.100% HG3 GLU- 45 - HA GLU- 107 2.857% * 0.0959% (0.10 0.02 0.02) = 0.096% HG3 MET 118 - HA GLU- 10 2.857% * 0.0935% (0.10 0.02 0.02) = 0.094% HG3 PRO 35 - HA GLU- 10 2.857% * 0.0935% (0.10 0.02 0.02) = 0.094% HB VAL 40 - HA ARG+ 84 2.857% * 0.0913% (0.09 0.02 0.02) = 0.091% HG3 PRO 35 - HA LYS+ 108 2.857% * 0.0891% (0.09 0.02 0.02) = 0.089% HG3 MET 118 - HA LYS+ 108 2.857% * 0.0891% (0.09 0.02 0.02) = 0.089% HG3 PRO 35 - HA ARG+ 84 2.857% * 0.0783% (0.08 0.02 0.02) = 0.078% HG3 MET 118 - HA ARG+ 84 2.857% * 0.0783% (0.08 0.02 0.02) = 0.078% HG2 PRO 112 - HA GLU- 107 2.857% * 0.0741% (0.08 0.02 0.02) = 0.074% HG3 GLU- 45 - HA ARG+ 84 2.857% * 0.0646% (0.07 0.02 0.02) = 0.065% HG2 PRO 112 - HA LYS+ 108 2.857% * 0.0567% (0.06 0.02 0.02) = 0.057% Peak 1093 (1.85, 4.28, 56.51 ppm): 44 chemical-shift based assignments, quality = 0.224, support = 4.05, residual support = 73.2: * O HB3 ARG+ 84 - HA ARG+ 84 2.273% * 95.2952% (0.24 10.0 4.25 76.79) = 95.295% kept HG2 PRO 112 - HA ARG+ 84 2.273% * 0.5211% (0.08 1.0 0.31 0.02) = 0.521% HG2 PRO 112 - HA ASN 76 2.273% * 0.2546% (0.07 1.0 0.19 0.02) = 0.255% HB VAL 94 - HA ARG+ 84 2.273% * 0.1775% (0.44 1.0 0.02 0.02) = 0.178% HB2 PRO 104 - HA ARG+ 84 2.273% * 0.1775% (0.44 1.0 0.02 0.02) = 0.178% HD2 PRO 59 - HA ARG+ 84 2.273% * 0.1748% (0.43 1.0 0.02 0.02) = 0.175% HB3 LYS+ 72 - HA ARG+ 84 2.273% * 0.1748% (0.43 1.0 0.02 0.02) = 0.175% HB3 LYS+ 60 - HA ARG+ 84 2.273% * 0.1713% (0.42 1.0 0.02 0.02) = 0.171% HB VAL 94 - HA ASN 119 2.273% * 0.1678% (0.41 1.0 0.02 0.02) = 0.168% HB2 PRO 104 - HA ASN 119 2.273% * 0.1678% (0.41 1.0 0.02 0.02) = 0.168% HB3 LYS+ 72 - HA ASN 119 2.273% * 0.1652% (0.41 1.0 0.02 0.02) = 0.165% HD2 PRO 59 - HA ASN 119 2.273% * 0.1652% (0.41 1.0 0.02 0.02) = 0.165% HB3 LYS+ 60 - HA ASN 119 2.273% * 0.1619% (0.40 1.0 0.02 0.02) = 0.162% HB VAL 94 - HA ASN 76 2.273% * 0.1456% (0.36 1.0 0.02 0.02) = 0.146% HB2 PRO 104 - HA ASN 76 2.273% * 0.1456% (0.36 1.0 0.02 0.02) = 0.146% HB3 LYS+ 72 - HA ASN 76 2.273% * 0.1434% (0.35 1.0 0.02 0.02) = 0.143% HD2 PRO 59 - HA ASN 76 2.273% * 0.1434% (0.35 1.0 0.02 0.46) = 0.143% HB3 LYS+ 60 - HA ASN 76 2.273% * 0.1405% (0.35 1.0 0.02 0.15) = 0.141% HB2 LYS+ 66 - HA ARG+ 84 2.273% * 0.1172% (0.29 1.0 0.02 0.02) = 0.117% HB2 LYS+ 66 - HA ASN 119 2.273% * 0.1107% (0.27 1.0 0.02 0.02) = 0.111% HB2 LYS+ 66 - HA ASN 76 2.273% * 0.0961% (0.24 1.0 0.02 0.02) = 0.096% HB3 ARG+ 84 - HA ASN 119 2.273% * 0.0900% (0.22 1.0 0.02 0.02) = 0.090% HD3 PRO 52 - HA ARG+ 84 2.273% * 0.0882% (0.22 1.0 0.02 0.02) = 0.088% HD3 PRO 52 - HA ASN 119 2.273% * 0.0833% (0.21 1.0 0.02 0.02) = 0.083% HB3 ARG+ 84 - HA ASN 76 2.273% * 0.0782% (0.19 1.0 0.02 0.02) = 0.078% HD3 PRO 52 - HA ASN 76 2.273% * 0.0723% (0.18 1.0 0.02 0.02) = 0.072% HB VAL 94 - HA GLU- 107 2.273% * 0.0601% (0.15 1.0 0.02 0.02) = 0.060% HB2 PRO 104 - HA GLU- 107 2.273% * 0.0601% (0.15 1.0 0.02 0.02) = 0.060% HB3 LYS+ 72 - HA GLU- 107 2.273% * 0.0592% (0.15 1.0 0.02 0.02) = 0.059% HD2 PRO 59 - HA GLU- 107 2.273% * 0.0592% (0.15 1.0 0.02 0.02) = 0.059% HB3 LYS+ 60 - HA GLU- 107 2.273% * 0.0580% (0.14 1.0 0.02 0.02) = 0.058% HB2 PRO 59 - HA ARG+ 84 2.273% * 0.0559% (0.14 1.0 0.02 0.02) = 0.056% HB2 PRO 59 - HA ASN 119 2.273% * 0.0528% (0.13 1.0 0.02 0.02) = 0.053% HG3 LYS+ 120 - HA ARG+ 84 2.273% * 0.0504% (0.12 1.0 0.02 0.02) = 0.050% HG3 LYS+ 120 - HA ASN 119 2.273% * 0.0476% (0.12 1.0 0.02 0.25) = 0.048% HB2 PRO 59 - HA ASN 76 2.273% * 0.0459% (0.11 1.0 0.02 0.46) = 0.046% HG3 LYS+ 120 - HA ASN 76 2.273% * 0.0413% (0.10 1.0 0.02 0.02) = 0.041% HB2 LYS+ 66 - HA GLU- 107 2.273% * 0.0396% (0.10 1.0 0.02 0.02) = 0.040% HB3 ARG+ 84 - HA GLU- 107 2.273% * 0.0322% (0.08 1.0 0.02 0.02) = 0.032% HG2 PRO 112 - HA ASN 119 2.273% * 0.0315% (0.08 1.0 0.02 0.02) = 0.032% HD3 PRO 52 - HA GLU- 107 2.273% * 0.0298% (0.07 1.0 0.02 0.02) = 0.030% HB2 PRO 59 - HA GLU- 107 2.273% * 0.0189% (0.05 1.0 0.02 0.02) = 0.019% HG3 LYS+ 120 - HA GLU- 107 2.273% * 0.0170% (0.04 1.0 0.02 0.02) = 0.017% HG2 PRO 112 - HA GLU- 107 2.273% * 0.0113% (0.03 1.0 0.02 0.02) = 0.011% Peak 1094 (1.18, 3.94, 56.30 ppm): 4 chemical-shift based assignments, quality = 0.933, support = 5.95, residual support = 157.5: * O T HB2 LEU 74 - HA LEU 74 25.000% * 99.1045% (0.94 10.0 10.00 6.00 158.96) = 99.105% kept T HB2 LEU 43 - HA LEU 74 25.000% * 0.7574% (0.72 1.0 10.00 0.02 1.31) = 0.757% QG2 THR 106 - HA LEU 74 25.000% * 0.0860% (0.82 1.0 1.00 0.02 0.02) = 0.086% HG3 PRO 59 - HA LEU 74 25.000% * 0.0521% (0.50 1.0 1.00 0.02 1.53) = 0.052% Peak 1095 (0.87, 4.34, 56.53 ppm): 14 chemical-shift based assignments, quality = 0.122, support = 0.964, residual support = 2.76: QG2 VAL 13 - HA TRP 51 7.143% * 28.3619% (0.06 1.90 8.96) = 28.362% kept QG1 VAL 80 - HA TRP 51 7.143% * 23.7326% (0.14 0.70 0.28) = 23.733% kept QG2 VAL 125 - HA TRP 51 7.143% * 16.1802% (0.26 0.27 0.02) = 16.180% kept QG2 VAL 40 - HA TRP 51 7.143% * 14.4638% (0.06 1.09 0.80) = 14.464% kept QG2 VAL 87 - HA TRP 51 7.143% * 8.4675% (0.06 0.64 0.14) = 8.468% kept QG2 VAL 13 - HA LYS+ 60 7.143% * 1.7852% (0.05 0.14 0.02) = 1.785% kept QG2 ILE 100 - HA TRP 51 7.143% * 1.3944% (0.30 0.02 1.36) = 1.394% kept QD1 LEU 90 - HA TRP 51 7.143% * 1.3547% (0.29 0.02 0.02) = 1.355% kept QG2 ILE 100 - HA LYS+ 60 7.143% * 1.1500% (0.25 0.02 0.02) = 1.150% kept QD1 LEU 90 - HA LYS+ 60 7.143% * 1.1172% (0.24 0.02 0.02) = 1.117% kept QG2 VAL 125 - HA LYS+ 60 7.143% * 0.9975% (0.21 0.02 0.02) = 0.998% QG1 VAL 80 - HA LYS+ 60 7.143% * 0.5585% (0.12 0.02 0.02) = 0.559% QG2 VAL 87 - HA LYS+ 60 7.143% * 0.2182% (0.05 0.02 0.02) = 0.218% QG2 VAL 40 - HA LYS+ 60 7.143% * 0.2182% (0.05 0.02 0.02) = 0.218% Not enough quality. Peak unassigned. Peak 1096 (0.73, 4.25, 56.49 ppm): 63 chemical-shift based assignments, quality = 0.768, support = 1.11, residual support = 1.18: QG1 VAL 40 - HA ASN 76 1.587% * 32.9368% (0.88 1.58 2.07) = 32.937% kept QG1 VAL 40 - HA ASN 119 1.587% * 30.6113% (0.90 1.43 1.30) = 30.611% kept QD1 ILE 68 - HA ASN 119 1.587% * 16.2323% (0.91 0.75 0.54) = 16.232% kept HG3 LYS+ 44 - HA ASN 76 1.587% * 3.4442% (0.81 0.18 0.02) = 3.444% kept HG3 LYS+ 44 - HA LYS+ 108 1.587% * 1.9400% (0.20 0.42 0.02) = 1.940% kept QG2 ILE 101 - HA ASN 76 1.587% * 1.6030% (0.43 0.16 0.02) = 1.603% kept HG3 LYS+ 44 - HA GLU- 10 1.587% * 1.5225% (0.20 0.32 0.02) = 1.522% kept HG LEU 74 - HA GLU- 107 1.587% * 1.3145% (0.17 0.32 0.72) = 1.315% kept QG2 ILE 101 - HA GLU- 107 1.587% * 1.2145% (0.13 0.41 0.02) = 1.215% kept QG2 ILE 48 - HA ASN 76 1.587% * 1.2081% (0.58 0.09 0.02) = 1.208% kept QG2 ILE 101 - HA LYS+ 108 1.587% * 0.7928% (0.10 0.32 0.27) = 0.793% QG2 VAL 65 - HA ASN 119 1.587% * 0.4367% (0.92 0.02 0.02) = 0.437% QG2 ILE 101 - HA GLU- 109 1.587% * 0.4280% (0.08 0.22 0.02) = 0.428% QG2 VAL 65 - HA ASN 76 1.587% * 0.4266% (0.90 0.02 0.02) = 0.427% QD1 ILE 68 - HA ASN 76 1.587% * 0.4228% (0.89 0.02 0.02) = 0.423% HG3 LYS+ 66 - HA ASN 119 1.587% * 0.3917% (0.83 0.02 0.02) = 0.392% HG3 LYS+ 44 - HA ASN 119 1.587% * 0.3917% (0.83 0.02 0.02) = 0.392% HG3 LYS+ 66 - HA ASN 76 1.587% * 0.3826% (0.81 0.02 0.02) = 0.383% HG LEU 74 - HA ASN 119 1.587% * 0.2825% (0.60 0.02 0.02) = 0.283% QG2 ILE 48 - HA ASN 119 1.587% * 0.2802% (0.59 0.02 0.02) = 0.280% HG LEU 74 - HA ASN 76 1.587% * 0.2760% (0.58 0.02 0.02) = 0.276% QG2 ILE 48 - HA ARG+ 84 1.587% * 0.2291% (0.10 0.09 0.02) = 0.229% QG2 ILE 101 - HA ASN 119 1.587% * 0.2086% (0.44 0.02 0.02) = 0.209% QG2 VAL 65 - HA GLU- 107 1.587% * 0.1255% (0.26 0.02 0.02) = 0.126% QD1 ILE 68 - HA GLU- 107 1.587% * 0.1244% (0.26 0.02 0.02) = 0.124% QG1 VAL 40 - HA GLU- 107 1.587% * 0.1230% (0.26 0.02 0.02) = 0.123% HG3 LYS+ 66 - HA GLU- 107 1.587% * 0.1126% (0.24 0.02 0.02) = 0.113% HG3 LYS+ 44 - HA GLU- 107 1.587% * 0.1126% (0.24 0.02 0.02) = 0.113% QG2 VAL 65 - HA GLU- 10 1.587% * 0.1075% (0.23 0.02 0.02) = 0.108% QD1 ILE 68 - HA GLU- 10 1.587% * 0.1066% (0.22 0.02 0.02) = 0.107% QG1 VAL 40 - HA GLU- 10 1.587% * 0.1054% (0.22 0.02 0.02) = 0.105% QG2 VAL 65 - HA LYS+ 108 1.587% * 0.1031% (0.22 0.02 0.02) = 0.103% QD1 ILE 68 - HA LYS+ 108 1.587% * 0.1022% (0.22 0.02 0.02) = 0.102% QG1 VAL 40 - HA LYS+ 108 1.587% * 0.1010% (0.21 0.02 0.02) = 0.101% HG3 LYS+ 66 - HA GLU- 10 1.587% * 0.0964% (0.20 0.02 0.02) = 0.096% HG3 LYS+ 66 - HA LYS+ 108 1.587% * 0.0925% (0.20 0.02 0.02) = 0.092% QG2 THR 96 - HA ASN 119 1.587% * 0.0864% (0.18 0.02 0.02) = 0.086% QG2 THR 96 - HA ASN 76 1.587% * 0.0844% (0.18 0.02 0.02) = 0.084% QG2 VAL 65 - HA GLU- 109 1.587% * 0.0812% (0.17 0.02 0.02) = 0.081% QG2 ILE 48 - HA GLU- 107 1.587% * 0.0805% (0.17 0.02 0.02) = 0.081% QD1 ILE 68 - HA GLU- 109 1.587% * 0.0804% (0.17 0.02 0.02) = 0.080% QG1 VAL 40 - HA GLU- 109 1.587% * 0.0796% (0.17 0.02 0.02) = 0.080% QG2 VAL 65 - HA ARG+ 84 1.587% * 0.0760% (0.16 0.02 0.02) = 0.076% QD1 ILE 68 - HA ARG+ 84 1.587% * 0.0754% (0.16 0.02 0.39) = 0.075% QG1 VAL 40 - HA ARG+ 84 1.587% * 0.0745% (0.16 0.02 0.02) = 0.075% HG3 LYS+ 66 - HA GLU- 109 1.587% * 0.0728% (0.15 0.02 0.02) = 0.073% HG3 LYS+ 44 - HA GLU- 109 1.587% * 0.0728% (0.15 0.02 0.02) = 0.073% HG LEU 74 - HA GLU- 10 1.587% * 0.0696% (0.15 0.02 0.02) = 0.070% QG2 ILE 48 - HA GLU- 10 1.587% * 0.0690% (0.15 0.02 0.02) = 0.069% HG3 LYS+ 66 - HA ARG+ 84 1.587% * 0.0682% (0.14 0.02 0.02) = 0.068% HG3 LYS+ 44 - HA ARG+ 84 1.587% * 0.0682% (0.14 0.02 0.02) = 0.068% HG LEU 74 - HA LYS+ 108 1.587% * 0.0667% (0.14 0.02 0.02) = 0.067% QG2 ILE 48 - HA LYS+ 108 1.587% * 0.0661% (0.14 0.02 0.02) = 0.066% HG LEU 74 - HA GLU- 109 1.587% * 0.0525% (0.11 0.02 0.02) = 0.053% QG2 ILE 48 - HA GLU- 109 1.587% * 0.0521% (0.11 0.02 0.02) = 0.052% QG2 ILE 101 - HA GLU- 10 1.587% * 0.0514% (0.11 0.02 0.02) = 0.051% HG LEU 74 - HA ARG+ 84 1.587% * 0.0492% (0.10 0.02 0.27) = 0.049% QG2 ILE 101 - HA ARG+ 84 1.587% * 0.0363% (0.08 0.02 0.02) = 0.036% QG2 THR 96 - HA GLU- 107 1.587% * 0.0248% (0.05 0.02 0.02) = 0.025% QG2 THR 96 - HA GLU- 10 1.587% * 0.0213% (0.04 0.02 0.02) = 0.021% QG2 THR 96 - HA LYS+ 108 1.587% * 0.0204% (0.04 0.02 0.02) = 0.020% QG2 THR 96 - HA GLU- 109 1.587% * 0.0161% (0.03 0.02 0.02) = 0.016% QG2 THR 96 - HA ARG+ 84 1.587% * 0.0150% (0.03 0.02 0.02) = 0.015% Peak 1097 (0.73, 3.93, 56.31 ppm): 9 chemical-shift based assignments, quality = 0.646, support = 4.76, residual support = 129.1: * O HG LEU 74 - HA LEU 74 11.111% * 80.2841% (0.62 10.0 5.55 158.96) = 80.284% kept QG1 VAL 40 - HA LEU 74 11.111% * 12.4462% (0.89 1.0 2.15 11.48) = 12.446% kept QG2 ILE 48 - HA LEU 74 11.111% * 3.1158% (0.59 1.0 0.82 0.02) = 3.116% kept QD1 ILE 68 - HA LEU 74 11.111% * 1.5400% (0.90 1.0 0.26 1.07) = 1.540% kept QG2 ILE 101 - HA LEU 74 11.111% * 1.4571% (0.45 1.0 0.50 0.02) = 1.457% kept HG3 LYS+ 44 - HA LEU 74 11.111% * 0.9127% (0.78 1.0 0.18 0.61) = 0.913% QG2 VAL 65 - HA LEU 74 11.111% * 0.1166% (0.90 1.0 0.02 0.02) = 0.117% HG3 LYS+ 66 - HA LEU 74 11.111% * 0.1014% (0.78 1.0 0.02 0.11) = 0.101% QG2 THR 96 - HA LEU 74 11.111% * 0.0260% (0.20 1.0 0.02 0.02) = 0.026% Peak 1106 (8.97, 0.69, 14.34 ppm): 6 chemical-shift based assignments, quality = 0.81, support = 4.92, residual support = 56.2: * HN ILE 19 - QD1 ILE 19 16.667% * 53.6314% (0.99 6.67 96.53) = 53.631% kept HN MET 97 - QD1 ILE 19 16.667% * 18.0845% (0.83 2.69 7.98) = 18.084% kept HN LEU 17 - QD1 ILE 19 16.667% * 16.7721% (0.64 3.22 13.75) = 16.772% kept HN THR 96 - QD1 ILE 19 16.667% * 5.4071% (0.20 3.39 5.70) = 5.407% kept HN ARG+ 22 - QD1 ILE 19 16.667% * 3.1080% (0.25 1.55 1.75) = 3.108% kept HN PHE 21 - QD1 ILE 19 16.667% * 2.9970% (0.13 2.75 10.00) = 2.997% kept Peak 1107 (8.86, 0.73, 14.31 ppm): 2 chemical-shift based assignments, quality = 0.399, support = 5.79, residual support = 86.2: * HN ILE 68 - QD1 ILE 68 50.000% * 92.9898% (0.41 6.14 92.61) = 92.990% kept HN ASP- 36 - QD1 ILE 68 50.000% * 7.0102% (0.19 1.02 0.69) = 7.010% kept Peak 1108 (7.34, 0.69, 14.34 ppm): 7 chemical-shift based assignments, quality = 0.833, support = 5.73, residual support = 52.4: QE PHE 34 - QD1 ILE 19 14.286% * 41.8437% (0.95 6.31 54.24) = 41.844% kept * QD PHE 34 - QD1 ILE 19 14.286% * 27.7590% (0.56 7.14 54.24) = 27.759% kept HZ PHE 34 - QD1 ILE 19 14.286% * 27.0883% (0.95 4.09 54.24) = 27.088% kept HZ2 TRP 51 - QD1 ILE 19 14.286% * 2.0818% (0.95 0.31 0.02) = 2.082% kept HN VAL 47 - QD1 ILE 19 14.286% * 0.6333% (0.48 0.19 0.02) = 0.633% HN ARG+ 84 - QD1 ILE 19 14.286% * 0.5698% (0.44 0.18 0.02) = 0.570% HE22 GLN 102 - QD1 ILE 19 14.286% * 0.0241% (0.17 0.02 0.02) = 0.024% Peak 1110 (4.99, 0.73, 14.26 ppm): 4 chemical-shift based assignments, quality = 0.479, support = 3.72, residual support = 53.9: * HA ILE 68 - QD1 ILE 68 25.000% * 53.6800% (0.44 4.90 92.61) = 53.680% kept HA SER 69 - QD1 ILE 68 25.000% * 37.8193% (0.57 2.66 10.87) = 37.819% kept HA MET 97 - QD1 ILE 68 25.000% * 8.2612% (0.33 1.02 0.46) = 8.261% kept HA PRO 31 - QD1 ILE 68 25.000% * 0.2395% (0.48 0.02 0.02) = 0.239% Peak 1111 (4.88, 0.69, 14.32 ppm): 6 chemical-shift based assignments, quality = 0.924, support = 6.18, residual support = 90.3: * HA ILE 19 - QD1 ILE 19 16.667% * 93.1041% (0.98 6.44 96.53) = 93.104% kept HA THR 96 - QD1 ILE 19 16.667% * 6.7604% (0.17 2.65 5.70) = 6.760% kept HA ASP- 115 - QD1 ILE 19 16.667% * 0.1095% (0.37 0.02 0.02) = 0.109% HA ILE 19 - QD1 ILE 68 16.667% * 0.0167% (0.06 0.02 0.02) = 0.017% HA ASP- 115 - QD1 ILE 68 16.667% * 0.0063% (0.02 0.02 0.02) = 0.006% HA THR 96 - QD1 ILE 68 16.667% * 0.0030% (0.01 0.02 0.02) = 0.003% Peak 1112 (4.18, 0.73, 14.30 ppm): 7 chemical-shift based assignments, quality = 0.401, support = 1.23, residual support = 1.57: * T HA VAL 73 - QD1 ILE 68 14.286% * 33.5835% (0.44 10.00 1.45 1.95) = 33.584% kept T HB3 SER 49 - QD1 ILE 68 14.286% * 27.6149% (0.40 10.00 1.29 1.95) = 27.615% kept T HA VAL 65 - QD1 ILE 68 14.286% * 25.5376% (0.43 10.00 1.13 1.17) = 25.538% kept T HA VAL 105 - QD1 ILE 68 14.286% * 12.2768% (0.29 10.00 0.81 0.60) = 12.277% kept HB THR 106 - QD1 ILE 68 14.286% * 0.8498% (0.29 1.00 0.56 0.02) = 0.850% T HA VAL 87 - QD1 ILE 68 14.286% * 0.1302% (0.12 10.00 0.02 0.02) = 0.130% HA ASP- 82 - QD1 ILE 68 14.286% * 0.0072% (0.07 1.00 0.02 0.02) = 0.007% Peak 1113 (2.88, 0.73, 14.31 ppm): 2 chemical-shift based assignments, quality = 0.0754, support = 0.02, residual support = 0.02: HB3 ASN 57 - QD1 ILE 68 50.000% * 56.1903% (0.08 0.02 0.02) = 56.190% kept HE3 LYS+ 81 - QD1 ILE 68 50.000% * 43.8097% (0.07 0.02 0.02) = 43.810% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1114 (1.67, 0.69, 14.35 ppm): 10 chemical-shift based assignments, quality = 0.66, support = 4.82, residual support = 77.5: * O T HG13 ILE 19 - QD1 ILE 19 10.000% * 79.0541% (0.64 10.0 10.00 5.55 96.53) = 79.054% kept HB3 MET 97 - QD1 ILE 19 10.000% * 14.6771% (0.94 1.0 1.00 2.54 7.98) = 14.677% kept HG2 ARG+ 22 - QD1 ILE 19 10.000% * 2.3542% (0.17 1.0 1.00 2.20 1.75) = 2.354% kept HG3 ARG+ 84 - QD1 ILE 19 10.000% * 1.6854% (0.64 1.0 1.00 0.43 0.02) = 1.685% kept T HD3 LYS+ 55 - QD1 ILE 19 10.000% * 0.9339% (0.76 1.0 10.00 0.02 0.02) = 0.934% HB3 LYS+ 81 - QD1 ILE 19 10.000% * 0.7148% (0.99 1.0 1.00 0.12 0.02) = 0.715% HG2 PRO 52 - QD1 ILE 19 10.000% * 0.2526% (0.48 1.0 1.00 0.08 0.02) = 0.253% HB3 MET 126 - QD1 ILE 19 10.000% * 0.1198% (0.97 1.0 1.00 0.02 0.02) = 0.120% HB ILE 100 - QD1 ILE 19 10.000% * 0.1060% (0.86 1.0 1.00 0.02 0.02) = 0.106% HB3 LYS+ 66 - QD1 ILE 19 10.000% * 0.1021% (0.83 1.0 1.00 0.02 0.02) = 0.102% Peak 1118 (0.91, 0.73, 14.31 ppm): 13 chemical-shift based assignments, quality = 0.314, support = 4.56, residual support = 80.1: * O HG12 ILE 68 - QD1 ILE 68 7.692% * 78.8902% (0.31 10.0 4.55 92.61) = 78.890% kept QD1 LEU 67 - QD1 ILE 68 7.692% * 20.0721% (0.33 1.0 4.84 34.86) = 20.072% kept QG1 VAL 47 - QD1 ILE 68 7.692% * 0.4517% (0.30 1.0 0.12 0.02) = 0.452% QG2 VAL 80 - QD1 ILE 68 7.692% * 0.0974% (0.39 1.0 0.02 0.02) = 0.097% HG3 LYS+ 117 - QD1 ILE 68 7.692% * 0.0907% (0.36 1.0 0.02 0.02) = 0.091% HG3 LYS+ 110 - QD1 ILE 68 7.692% * 0.0870% (0.35 1.0 0.02 0.02) = 0.087% QG2 VAL 40 - QD1 ILE 68 7.692% * 0.0659% (0.26 1.0 0.02 0.02) = 0.066% QG2 VAL 87 - QD1 ILE 68 7.692% * 0.0659% (0.26 1.0 0.02 0.02) = 0.066% QG2 VAL 105 - QD1 ILE 68 7.692% * 0.0487% (0.19 1.0 0.02 0.60) = 0.049% QD1 LEU 17 - QD1 ILE 68 7.692% * 0.0447% (0.18 1.0 0.02 0.02) = 0.045% QG1 VAL 105 - QD1 ILE 68 7.692% * 0.0408% (0.16 1.0 0.02 0.60) = 0.041% QG1 VAL 80 - QD1 ILE 68 7.692% * 0.0302% (0.12 1.0 0.02 0.02) = 0.030% QG2 VAL 62 - QD1 ILE 68 7.692% * 0.0147% (0.06 1.0 0.02 0.02) = 0.015% Peak 1121 (0.73, 0.73, 14.30 ppm): 1 diagonal assignment: * QD1 ILE 68 - QD1 ILE 68 (0.44) kept Peak 1125 (0.02, 0.69, 14.33 ppm): 1 chemical-shift based assignment, quality = 0.964, support = 6.46, residual support = 96.5: * T QG2 ILE 19 - QD1 ILE 19 100.000% *100.0000% (0.96 10.00 6.46 96.53) = 100.000% kept Peak 1126 (8.78, 0.39, 14.01 ppm): 4 chemical-shift based assignments, quality = 0.463, support = 2.19, residual support = 5.16: * HN VAL 62 - QD1 ILE 48 25.000% * 46.4576% (0.24 3.72 9.49) = 46.458% kept HN PHE 34 - QD1 ILE 48 25.000% * 28.3817% (0.40 1.38 2.63) = 28.382% kept HN SER 69 - QD1 ILE 48 25.000% * 15.6645% (0.93 0.32 0.02) = 15.664% kept HN THR 95 - QD1 ILE 48 25.000% * 9.4962% (0.96 0.19 0.02) = 9.496% kept Peak 1127 (8.44, 4.27, 55.48 ppm): 6 chemical-shift based assignments, quality = 0.588, support = 0.661, residual support = 0.203: HN ARG+ 53 - HA LEU 90 16.667% * 40.5226% (0.66 0.62 0.23) = 40.523% kept HN LEU 74 - HA LEU 90 16.667% * 29.6976% (0.84 0.36 0.11) = 29.698% kept HN GLY 92 - HA LEU 90 16.667% * 24.3138% (0.20 1.22 0.31) = 24.314% kept HN GLU- 107 - HA LEU 90 16.667% * 3.7920% (0.37 0.10 0.02) = 3.792% kept HN CYS 123 - HA LEU 90 16.667% * 1.2282% (0.62 0.02 0.02) = 1.228% kept HN LYS+ 117 - HA LEU 90 16.667% * 0.4458% (0.23 0.02 0.02) = 0.446% Peak 1128 (8.29, 4.29, 55.60 ppm): 4 chemical-shift based assignments, quality = 0.584, support = 2.98, residual support = 14.4: * O HN ALA 91 - HA LEU 90 25.000% * 93.3165% (0.60 10.0 3.09 15.11) = 93.316% kept HN ASN 89 - HA LEU 90 25.000% * 5.8866% (0.45 1.0 1.69 4.40) = 5.887% kept HN ASP- 28 - HA LEU 90 25.000% * 0.7603% (0.66 1.0 0.15 0.02) = 0.760% HN VAL 99 - HA LEU 90 25.000% * 0.0367% (0.23 1.0 0.02 0.02) = 0.037% Peak 1129 (7.41, 0.40, 14.05 ppm): 2 chemical-shift based assignments, quality = 0.704, support = 1.73, residual support = 3.33: HN GLU- 64 - QD1 ILE 48 50.000% * 72.2650% (0.86 1.69 3.02) = 72.265% kept * HN THR 61 - QD1 ILE 48 50.000% * 27.7350% (0.31 1.82 4.14) = 27.735% kept Peak 1130 (7.31, 0.39, 14.04 ppm): 7 chemical-shift based assignments, quality = 0.671, support = 4.06, residual support = 73.3: * HN ILE 48 - QD1 ILE 48 14.286% * 41.3276% (0.66 5.59 148.88) = 41.328% kept HN VAL 47 - QD1 ILE 48 14.286% * 33.2085% (0.77 3.85 33.51) = 33.208% kept QD PHE 34 - QD1 ILE 48 14.286% * 17.2065% (0.70 2.20 2.63) = 17.207% kept QE PHE 34 - QD1 ILE 48 14.286% * 4.5128% (0.27 1.51 2.63) = 4.513% kept HZ PHE 34 - QD1 ILE 48 14.286% * 2.5725% (0.27 0.86 2.63) = 2.572% kept HN ARG+ 84 - QD1 ILE 48 14.286% * 0.8299% (0.81 0.09 0.02) = 0.830% HZ2 TRP 51 - QD1 ILE 48 14.286% * 0.3423% (0.27 0.11 0.02) = 0.342% Peak 1132 (4.71, 0.39, 14.05 ppm): 6 chemical-shift based assignments, quality = 0.909, support = 1.52, residual support = 3.01: * HA THR 61 - QD1 ILE 48 16.667% * 72.2776% (0.93 1.97 4.14) = 72.278% kept HA2 GLY 30 - QD1 ILE 48 16.667% * 15.3575% (0.88 0.44 0.02) = 15.357% kept HA VAL 99 - QD1 ILE 48 16.667% * 8.5232% (0.88 0.25 0.20) = 8.523% kept HA THR 39 - QD1 ILE 48 16.667% * 2.7246% (0.92 0.08 0.02) = 2.725% kept HA GLN 16 - QD1 ILE 48 16.667% * 0.6131% (0.78 0.02 0.02) = 0.613% HA LYS+ 20 - QD1 ILE 48 16.667% * 0.5042% (0.64 0.02 0.02) = 0.504% Peak 1145 (3.87, 0.39, 14.06 ppm): 10 chemical-shift based assignments, quality = 0.905, support = 2.67, residual support = 7.35: * T HA GLU- 45 - QD1 ILE 48 10.000% * 77.4665% (0.94 10.00 3.15 9.31) = 77.467% kept HB2 SER 85 - QD1 ILE 48 10.000% * 5.2978% (0.82 1.00 1.58 1.66) = 5.298% kept HD3 PRO 35 - QD1 ILE 48 10.000% * 3.6124% (0.75 1.00 1.16 0.32) = 3.612% kept HA2 GLY 114 - QD1 ILE 48 10.000% * 3.6003% (0.84 1.00 1.04 0.79) = 3.600% kept HB3 SER 27 - QD1 ILE 48 10.000% * 3.4375% (0.94 1.00 0.89 0.25) = 3.437% kept HB3 SER 77 - QD1 ILE 48 10.000% * 2.3332% (0.84 1.00 0.67 0.02) = 2.333% kept HB3 SER 88 - QD1 ILE 48 10.000% * 2.0877% (0.78 1.00 0.65 0.02) = 2.088% kept HD2 PRO 116 - QD1 ILE 48 10.000% * 1.1933% (0.68 1.00 0.42 0.02) = 1.193% kept HD2 PRO 86 - QD1 ILE 48 10.000% * 0.9578% (0.61 1.00 0.38 0.49) = 0.958% HA LYS+ 117 - QD1 ILE 48 10.000% * 0.0136% (0.16 1.00 0.02 0.02) = 0.014% Peak 1146 (3.44, 0.39, 14.04 ppm): 6 chemical-shift based assignments, quality = 0.897, support = 4.67, residual support = 75.4: T HA VAL 62 - QD1 ILE 48 16.667% * 52.2879% (0.94 10.00 3.59 9.49) = 52.288% kept * T HA ILE 48 - QD1 ILE 48 16.667% * 47.3121% (0.85 10.00 5.91 148.88) = 47.312% kept T HA VAL 40 - QD1 ILE 48 16.667% * 0.3413% (0.62 10.00 0.02 0.02) = 0.341% HA VAL 80 - QD1 ILE 48 16.667% * 0.0320% (0.58 1.00 0.02 0.02) = 0.032% HD3 PRO 31 - QD1 ILE 48 16.667% * 0.0163% (0.29 1.00 0.02 0.02) = 0.016% HA1 GLY 71 - QD1 ILE 48 16.667% * 0.0104% (0.19 1.00 0.02 0.78) = 0.010% Peak 1147 (2.45, 4.23, 55.13 ppm): 2 chemical-shift based assignments, quality = 0.21, support = 1.2, residual support = 3.5: * T HG3 GLU- 45 - HA ALA 42 50.000% * 99.8935% (0.21 10.00 1.20 3.50) = 99.893% kept HG2 PRO 112 - HA ALA 42 50.000% * 0.1065% (0.13 1.00 0.02 0.02) = 0.107% Peak 1148 (2.22, 4.23, 55.31 ppm): 14 chemical-shift based assignments, quality = 0.522, support = 0.744, residual support = 3.14: T HB3 GLU- 45 - HA ALA 42 7.143% * 89.7771% (0.52 10.00 0.83 3.50) = 89.777% kept T HG3 GLU- 109 - HA ALA 42 7.143% * 3.1344% (0.76 10.00 0.02 0.02) = 3.134% kept T HB2 GLU- 50 - HA ALA 42 7.143% * 2.9192% (0.70 10.00 0.02 0.02) = 2.919% kept T HG3 GLU- 10 - HA ALA 42 7.143% * 1.7904% (0.43 10.00 0.02 0.02) = 1.790% kept HG2 PRO 112 - HA ALA 42 7.143% * 0.3162% (0.76 1.00 0.02 0.02) = 0.316% HG3 GLN 102 - HA ALA 42 7.143% * 0.3155% (0.76 1.00 0.02 0.02) = 0.316% HB2 PRO 52 - HA ALA 42 7.143% * 0.3134% (0.76 1.00 0.02 0.02) = 0.313% HG3 GLU- 18 - HA ALA 42 7.143% * 0.3052% (0.74 1.00 0.02 0.02) = 0.305% HG3 MET 97 - HA ALA 42 7.143% * 0.2641% (0.64 1.00 0.02 0.02) = 0.264% HA1 GLY 58 - HA ALA 42 7.143% * 0.2641% (0.64 1.00 0.02 0.02) = 0.264% HG3 MET 126 - HA ALA 42 7.143% * 0.2296% (0.55 1.00 0.02 0.02) = 0.230% HG3 GLN 16 - HA ALA 42 7.143% * 0.1918% (0.46 1.00 0.02 0.02) = 0.192% HB3 ASN 15 - HA ALA 42 7.143% * 0.1300% (0.31 1.00 0.02 0.02) = 0.130% HG2 MET 126 - HA ALA 42 7.143% * 0.0488% (0.12 1.00 0.02 0.02) = 0.049% Peak 1149 (2.05, 0.39, 14.06 ppm): 14 chemical-shift based assignments, quality = 0.711, support = 1.19, residual support = 4.84: HB2 GLU- 45 - QD1 ILE 48 7.143% * 29.5997% (0.94 1.37 9.31) = 29.600% kept HG3 PRO 86 - QD1 ILE 48 7.143% * 20.4748% (0.96 0.93 0.49) = 20.475% kept * HB VAL 62 - QD1 ILE 48 7.143% * 17.7079% (0.33 2.35 9.49) = 17.708% kept HB3 LYS+ 110 - QD1 ILE 48 7.143% * 9.8279% (0.77 0.56 0.02) = 9.828% kept HB3 GLU- 75 - QD1 ILE 48 7.143% * 9.5746% (0.67 0.62 0.02) = 9.575% kept HB3 GLU- 64 - QD1 ILE 48 7.143% * 5.3810% (0.33 0.71 3.02) = 5.381% kept HG3 GLU- 64 - QD1 ILE 48 7.143% * 4.6790% (0.47 0.44 3.02) = 4.679% kept HG2 PRO 116 - QD1 ILE 48 7.143% * 1.1948% (0.13 0.40 0.02) = 1.195% kept HB3 PRO 31 - QD1 ILE 48 7.143% * 0.7331% (0.27 0.12 0.02) = 0.733% HG2 PRO 112 - QD1 ILE 48 7.143% * 0.3001% (0.65 0.02 0.02) = 0.300% HB3 GLU- 54 - QD1 ILE 48 7.143% * 0.1981% (0.43 0.02 0.02) = 0.198% HB3 GLU- 10 - QD1 ILE 48 7.143% * 0.1507% (0.33 0.02 0.02) = 0.151% HB ILE 101 - QD1 ILE 48 7.143% * 0.1102% (0.24 0.02 0.14) = 0.110% HB3 GLU- 107 - QD1 ILE 48 7.143% * 0.0682% (0.15 0.02 0.02) = 0.068% Peak 1150 (1.96, 4.28, 55.61 ppm): 15 chemical-shift based assignments, quality = 0.5, support = 0.641, residual support = 0.181: T HB3 GLU- 109 - HA LEU 90 6.667% * 52.2361% (0.65 10.00 0.55 0.02) = 52.236% kept T HB2 GLU- 75 - HA LEU 90 6.667% * 43.7194% (0.37 10.00 0.81 0.39) = 43.719% kept T HB3 GLU- 56 - HA LEU 90 6.667% * 0.9305% (0.32 10.00 0.02 0.02) = 0.931% HB VAL 73 - HA LEU 90 6.667% * 0.8688% (0.45 1.00 0.13 0.02) = 0.869% HB2 PRO 35 - HA LEU 90 6.667% * 0.7053% (0.63 1.00 0.08 0.02) = 0.705% HG2 PRO 112 - HA LEU 90 6.667% * 0.4343% (0.27 1.00 0.11 0.02) = 0.434% HB VAL 13 - HA LEU 90 6.667% * 0.1908% (0.65 1.00 0.02 0.02) = 0.191% HG3 PRO 116 - HA LEU 90 6.667% * 0.1895% (0.65 1.00 0.02 0.02) = 0.189% HG3 PRO 31 - HA LEU 90 6.667% * 0.1531% (0.52 1.00 0.02 0.02) = 0.153% HB3 LYS+ 55 - HA LEU 90 6.667% * 0.1461% (0.50 1.00 0.02 0.02) = 0.146% HB2 LYS+ 108 - HA LEU 90 6.667% * 0.1448% (0.11 1.00 0.09 0.02) = 0.145% HG3 PRO 104 - HA LEU 90 6.667% * 0.1160% (0.40 1.00 0.02 0.02) = 0.116% HB2 PRO 86 - HA LEU 90 6.667% * 0.0590% (0.20 1.00 0.02 0.02) = 0.059% HB2 PRO 116 - HA LEU 90 6.667% * 0.0532% (0.18 1.00 0.02 0.02) = 0.053% HB2 GLU- 10 - HA LEU 90 6.667% * 0.0532% (0.18 1.00 0.02 0.02) = 0.053% Peak 1151 (1.74, 0.39, 14.04 ppm): 6 chemical-shift based assignments, quality = 0.962, support = 5.68, residual support = 144.5: * O T HB ILE 48 - QD1 ILE 48 16.667% * 97.0285% (0.97 10.0 10.00 5.84 148.88) = 97.029% kept HB3 LEU 23 - QD1 ILE 48 16.667% * 2.4392% (0.90 1.0 1.00 0.54 0.33) = 2.439% kept HB2 GLN 16 - QD1 ILE 48 16.667% * 0.3335% (0.33 1.0 1.00 0.20 0.02) = 0.333% HB2 LYS+ 117 - QD1 ILE 48 16.667% * 0.0878% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 LEU 17 - QD1 ILE 48 16.667% * 0.0633% (0.63 1.0 1.00 0.02 0.02) = 0.063% HD3 PRO 59 - QD1 ILE 48 16.667% * 0.0477% (0.48 1.0 1.00 0.02 0.02) = 0.048% Peak 1152 (1.59, 4.29, 55.42 ppm): 10 chemical-shift based assignments, quality = 0.481, support = 1.67, residual support = 1.71: T HB3 PRO 52 - HA LEU 90 10.000% * 68.3422% (0.48 10.00 2.12 2.38) = 68.342% kept T HB ILE 19 - HA LEU 90 10.000% * 23.2669% (0.52 10.00 0.63 0.29) = 23.267% kept HD3 LYS+ 32 - HA LEU 90 10.000% * 3.9383% (0.63 1.00 0.87 0.21) = 3.938% kept HG2 LYS+ 110 - HA LEU 90 10.000% * 2.6296% (0.33 1.00 1.10 0.02) = 2.630% kept HG12 ILE 29 - HA LEU 90 10.000% * 1.1922% (0.15 1.00 1.10 0.02) = 1.192% kept HG LEU 17 - HA LEU 90 10.000% * 0.3635% (0.48 1.00 0.11 0.17) = 0.363% HB3 LYS+ 32 - HA LEU 90 10.000% * 0.1401% (0.98 1.00 0.02 0.21) = 0.140% HD3 LYS+ 60 - HA LEU 90 10.000% * 0.0577% (0.40 1.00 0.02 0.02) = 0.058% HD3 LYS+ 81 - HA LEU 90 10.000% * 0.0479% (0.33 1.00 0.02 0.02) = 0.048% QB ALA 42 - HA LEU 90 10.000% * 0.0217% (0.15 1.00 0.02 0.02) = 0.022% Peak 1153 (1.47, 0.39, 14.05 ppm): 8 chemical-shift based assignments, quality = 0.854, support = 4.67, residual support = 131.5: * O T HG13 ILE 48 - QD1 ILE 48 12.500% * 88.2959% (0.87 10.0 10.00 5.18 148.88) = 88.296% kept HB3 LYS+ 44 - QD1 ILE 48 12.500% * 4.3269% (0.59 1.0 1.00 1.45 0.51) = 4.327% kept HG3 LYS+ 60 - QD1 ILE 48 12.500% * 2.4456% (0.71 1.0 1.00 0.68 1.86) = 2.446% kept HG3 PRO 52 - QD1 ILE 48 12.500% * 2.2612% (0.97 1.0 1.00 0.46 0.02) = 2.261% kept HB3 LEU 67 - QD1 ILE 48 12.500% * 2.0380% (0.97 1.0 1.00 0.41 0.17) = 2.038% kept HG2 PRO 59 - QD1 ILE 48 12.500% * 0.3425% (0.71 1.0 1.00 0.10 0.02) = 0.343% QB ALA 70 - QD1 ILE 48 12.500% * 0.2726% (0.55 1.0 1.00 0.10 0.02) = 0.273% HG LEU 90 - QD1 ILE 48 12.500% * 0.0172% (0.17 1.0 1.00 0.02 0.02) = 0.017% Peak 1154 (1.14, 0.40, 14.02 ppm): 7 chemical-shift based assignments, quality = 0.674, support = 1.46, residual support = 1.84: QB ALA 33 - QD1 ILE 48 14.286% * 52.7171% (0.89 1.47 1.25) = 52.717% kept * QG2 THR 61 - QD1 ILE 48 14.286% * 26.5173% (0.29 2.26 4.14) = 26.517% kept HG3 LYS+ 32 - QD1 ILE 48 14.286% * 14.4985% (0.79 0.46 0.12) = 14.499% kept HB2 LEU 43 - QD1 ILE 48 14.286% * 4.1039% (0.21 0.49 1.60) = 4.104% kept HG3 PRO 59 - QD1 ILE 48 14.286% * 1.4949% (0.39 0.10 0.02) = 1.495% kept HD3 LYS+ 111 - QD1 ILE 48 14.286% * 0.5511% (0.68 0.02 0.02) = 0.551% QG2 THR 106 - QD1 ILE 48 14.286% * 0.1171% (0.15 0.02 0.02) = 0.117% Peak 1155 (0.95, 0.40, 14.04 ppm): 9 chemical-shift based assignments, quality = 0.867, support = 1.51, residual support = 5.65: * QG2 VAL 62 - QD1 ILE 48 11.111% * 52.7920% (0.86 2.02 9.49) = 52.792% kept QG2 ILE 29 - QD1 ILE 48 11.111% * 34.1359% (0.96 1.17 1.84) = 34.136% kept QG2 VAL 99 - QD1 ILE 48 11.111% * 8.3782% (0.92 0.30 0.20) = 8.378% kept HG12 ILE 68 - QD1 ILE 48 11.111% * 3.1376% (0.22 0.47 0.02) = 3.138% kept QG2 VAL 73 - QD1 ILE 48 11.111% * 0.5701% (0.94 0.02 0.02) = 0.570% QG1 VAL 105 - QD1 ILE 48 11.111% * 0.3171% (0.52 0.02 0.02) = 0.317% QD1 LEU 17 - QD1 ILE 48 11.111% * 0.2933% (0.48 0.02 0.02) = 0.293% QG2 VAL 105 - QD1 ILE 48 11.111% * 0.2702% (0.45 0.02 0.02) = 0.270% HG3 LYS+ 110 - QD1 ILE 48 11.111% * 0.1055% (0.17 0.02 0.02) = 0.106% Peak 1157 (0.84, 4.28, 55.45 ppm): 10 chemical-shift based assignments, quality = 0.469, support = 1.48, residual support = 10.2: * T QD2 LEU 90 - HA LEU 90 10.000% * 48.6005% (0.37 10.00 2.02 19.40) = 48.600% kept T QD2 LEU 17 - HA LEU 90 10.000% * 31.0313% (0.48 10.00 0.98 0.17) = 31.031% kept T QG1 VAL 94 - HA LEU 90 10.000% * 8.0002% (0.72 10.00 0.17 0.02) = 8.000% kept QD1 ILE 29 - HA LEU 90 10.000% * 4.7802% (0.94 1.00 0.78 0.02) = 4.780% kept QD1 LEU 90 - HA LEU 90 10.000% * 3.7831% (0.17 1.00 3.34 19.40) = 3.783% kept QG1 VAL 13 - HA LEU 90 10.000% * 2.9576% (0.94 1.00 0.48 0.02) = 2.958% kept QG2 VAL 13 - HA LEU 90 10.000% * 0.6753% (0.86 1.00 0.12 0.02) = 0.675% HG2 LYS+ 117 - HA LEU 90 10.000% * 0.1292% (0.99 1.00 0.02 0.02) = 0.129% QD2 LEU 67 - HA LEU 90 10.000% * 0.0227% (0.17 1.00 0.02 0.02) = 0.023% QG2 ILE 100 - HA LEU 90 10.000% * 0.0200% (0.15 1.00 0.02 0.02) = 0.020% Peak 1158 (0.71, 0.39, 14.05 ppm): 14 chemical-shift based assignments, quality = 0.725, support = 4.34, residual support = 91.1: * QG2 ILE 48 - QD1 ILE 48 7.143% * 60.9821% (0.81 6.29 148.88) = 60.982% kept QG1 VAL 65 - QD1 ILE 48 7.143% * 15.4150% (0.59 2.17 1.27) = 15.415% kept QG2 THR 96 - QD1 ILE 48 7.143% * 7.0848% (0.78 0.76 0.02) = 7.085% kept HG3 LYS+ 44 - QD1 ILE 48 7.143% * 4.8550% (0.27 1.49 0.51) = 4.855% kept QG2 VAL 65 - QD1 ILE 48 7.143% * 3.8978% (0.51 0.63 1.27) = 3.898% kept QG1 VAL 40 - QD1 ILE 48 7.143% * 2.3909% (0.63 0.32 0.02) = 2.391% kept HG LEU 74 - QD1 ILE 48 7.143% * 1.9910% (0.95 0.17 0.02) = 1.991% kept QD1 ILE 68 - QD1 ILE 48 7.143% * 1.9134% (0.59 0.27 0.02) = 1.913% kept QG2 ILE 101 - QD1 ILE 48 7.143% * 1.0558% (0.84 0.10 0.14) = 1.056% kept HG3 LYS+ 66 - QD1 ILE 48 7.143% * 0.2639% (0.27 0.08 0.02) = 0.264% QD1 ILE 19 - QD1 ILE 48 7.143% * 0.0464% (0.19 0.02 0.02) = 0.046% QG2 ILE 68 - QD1 ILE 48 7.143% * 0.0361% (0.15 0.02 0.02) = 0.036% QG2 VAL 94 - QD1 ILE 48 7.143% * 0.0361% (0.15 0.02 0.02) = 0.036% HG12 ILE 19 - QD1 ILE 48 7.143% * 0.0317% (0.13 0.02 0.02) = 0.032% Peak 1160 (0.39, 0.39, 14.04 ppm): 1 diagonal assignment: * QD1 ILE 48 - QD1 ILE 48 (0.95) kept Peak 1163 (7.74, 4.23, 55.11 ppm): 5 chemical-shift based assignments, quality = 0.206, support = 3.24, residual support = 18.9: * O HN ALA 42 - HA ALA 42 20.000% * 99.8575% (0.21 10.0 3.24 18.89) = 99.857% kept HN VAL 125 - HA ALA 42 20.000% * 0.0434% (0.09 1.0 0.02 0.02) = 0.043% HN ALA 37 - HA ALA 42 20.000% * 0.0396% (0.08 1.0 0.02 0.02) = 0.040% HN SER 124 - HA ALA 42 20.000% * 0.0360% (0.07 1.0 0.02 0.02) = 0.036% HN VAL 13 - HA ALA 42 20.000% * 0.0235% (0.05 1.0 0.02 0.02) = 0.024% Peak 1164 (6.79, 4.29, 55.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1174 (6.12, 4.39, 54.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1180 (4.47, 0.80, 12.73 ppm): 9 chemical-shift based assignments, quality = 0.905, support = 2.87, residual support = 46.2: * HA ILE 100 - QD1 ILE 100 11.111% * 67.6204% (0.98 3.72 68.06) = 67.620% kept HA GLN 102 - QD1 ILE 100 11.111% * 17.0732% (0.98 0.94 0.14) = 17.073% kept HA GLU- 50 - QD1 ILE 100 11.111% * 14.1667% (0.56 1.37 1.00) = 14.167% kept HA MET 126 - QD1 ILE 100 11.111% * 0.3593% (0.96 0.02 0.02) = 0.359% HA LYS+ 32 - QD1 ILE 100 11.111% * 0.3180% (0.85 0.02 0.02) = 0.318% HA CYS 123 - QD1 ILE 100 11.111% * 0.1376% (0.37 0.02 0.02) = 0.138% HA SER 77 - QD1 ILE 100 11.111% * 0.1376% (0.37 0.02 0.02) = 0.138% HA MET 118 - QD1 ILE 100 11.111% * 0.1376% (0.37 0.02 0.02) = 0.138% HB THR 79 - QD1 ILE 100 11.111% * 0.0496% (0.13 0.02 0.02) = 0.050% Peak 1196 (0.81, 0.80, 12.76 ppm): 1 diagonal assignment: * QD1 ILE 100 - QD1 ILE 100 (0.67) kept Peak 1199 (0.65, 0.81, 12.77 ppm): 3 chemical-shift based assignments, quality = 0.433, support = 1.84, residual support = 8.98: QG2 ILE 48 - QD1 ILE 100 33.333% * 50.0566% (0.70 0.71 0.35) = 50.057% kept QG2 ILE 101 - QD1 ILE 100 33.333% * 45.7454% (0.14 3.23 19.24) = 45.745% kept QG1 VAL 62 - QD1 ILE 100 33.333% * 4.1980% (0.37 0.11 0.13) = 4.198% kept Peak 1230 (9.51, 4.09, 53.22 ppm): 2 chemical-shift based assignments, quality = 0.494, support = 2.0, residual support = 13.8: * O HN ALA 70 - HA ALA 70 50.000% * 99.8372% (0.49 10.0 2.00 13.82) = 99.837% kept HE1 TRP 51 - HA ALA 70 50.000% * 0.1628% (0.81 1.0 0.02 0.02) = 0.163% Peak 1231 (8.49, 4.22, 53.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1232 (8.38, 4.09, 53.26 ppm): 3 chemical-shift based assignments, quality = 0.583, support = 2.71, residual support = 14.1: * O HN GLY 71 - HA ALA 70 33.333% * 99.9235% (0.58 10.0 2.72 14.06) = 99.923% kept HN LYS+ 108 - HA ALA 70 33.333% * 0.0527% (0.31 1.0 0.02 0.02) = 0.053% HN ALA 103 - HA ALA 70 33.333% * 0.0238% (0.14 1.0 0.02 0.02) = 0.024% Peak 1233 (6.07, 4.37, 53.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1235 (4.10, 4.09, 53.29 ppm): 1 diagonal assignment: * HA ALA 70 - HA ALA 70 (0.91) kept Peak 1237 (1.49, 4.09, 53.26 ppm): 8 chemical-shift based assignments, quality = 0.887, support = 2.28, residual support = 13.8: * O T QB ALA 70 - HA ALA 70 12.500% * 99.6568% (0.89 10.0 10.00 2.29 13.82) = 99.657% kept HB3 LYS+ 44 - HA ALA 70 12.500% * 0.0977% (0.87 1.0 1.00 0.02 0.02) = 0.098% HD3 LYS+ 108 - HA ALA 70 12.500% * 0.0585% (0.52 1.0 1.00 0.02 0.02) = 0.058% HB2 LYS+ 72 - HA ALA 70 12.500% * 0.0463% (0.41 1.0 1.00 0.02 2.40) = 0.046% HB3 LEU 67 - HA ALA 70 12.500% * 0.0463% (0.41 1.0 1.00 0.02 0.02) = 0.046% HG3 PRO 52 - HA ALA 70 12.500% * 0.0388% (0.35 1.0 1.00 0.02 0.02) = 0.039% HG3 LYS+ 72 - HA ALA 70 12.500% * 0.0352% (0.31 1.0 1.00 0.02 2.40) = 0.035% HG13 ILE 48 - HA ALA 70 12.500% * 0.0204% (0.18 1.0 1.00 0.02 0.02) = 0.020% Peak 1238 (1.37, 4.23, 53.10 ppm): 8 chemical-shift based assignments, quality = 0.378, support = 1.38, residual support = 5.5: * O T QB ALA 11 - HA ALA 11 12.500% * 98.1337% (0.38 10.0 10.00 1.40 5.61) = 98.134% kept HG3 LYS+ 81 - HA ALA 11 12.500% * 1.4623% (0.32 1.0 1.00 0.36 0.02) = 1.462% kept HB3 LYS+ 20 - HA ALA 11 12.500% * 0.0979% (0.38 1.0 1.00 0.02 0.02) = 0.098% HB3 LEU 17 - HA ALA 11 12.500% * 0.0906% (0.35 1.0 1.00 0.02 0.02) = 0.091% HG2 LYS+ 78 - HA ALA 11 12.500% * 0.0851% (0.33 1.0 1.00 0.02 0.02) = 0.085% QG2 THR 39 - HA ALA 11 12.500% * 0.0674% (0.26 1.0 1.00 0.02 0.02) = 0.067% HG13 ILE 68 - HA ALA 11 12.500% * 0.0478% (0.19 1.0 1.00 0.02 0.02) = 0.048% HD3 LYS+ 20 - HA ALA 11 12.500% * 0.0151% (0.06 1.0 1.00 0.02 0.02) = 0.015% Peak 1239 (8.25, 4.24, 52.81 ppm): 8 chemical-shift based assignments, quality = 0.59, support = 0.968, residual support = 2.05: * O HN GLU- 12 - HA ALA 11 12.500% * 87.0179% (0.59 10.0 1.00 2.35) = 87.018% kept HN ASP- 115 - HA ALA 11 12.500% * 8.0456% (0.81 1.0 0.68 0.02) = 8.046% kept HN SER 49 - HA ALA 11 12.500% * 4.2155% (0.28 1.0 1.03 0.24) = 4.215% kept HN THR 106 - HA ALA 11 12.500% * 0.2397% (0.81 1.0 0.02 0.02) = 0.240% HN LYS+ 81 - HA ALA 11 12.500% * 0.1454% (0.49 1.0 0.02 0.02) = 0.145% HN LEU 67 - HA ALA 11 12.500% * 0.1454% (0.49 1.0 0.02 0.02) = 0.145% HN GLY 58 - HA ALA 11 12.500% * 0.1167% (0.40 1.0 0.02 0.02) = 0.117% HN ASN 89 - HA ALA 11 12.500% * 0.0740% (0.25 1.0 0.02 0.02) = 0.074% Peak 1240 (4.32, 4.31, 52.81 ppm): 1 diagonal assignment: * HA ALA 93 - HA ALA 93 (0.88) kept Peak 1241 (4.25, 4.24, 52.85 ppm): 1 diagonal assignment: * HA ALA 11 - HA ALA 11 (0.86) kept Peak 1245 (4.08, 4.25, 53.15 ppm): 7 chemical-shift based assignments, quality = 0.286, support = 0.418, residual support = 0.199: T HB3 SER 49 - HA ALA 11 14.286% * 77.4266% (0.28 10.00 0.52 0.24) = 77.427% kept T HA THR 24 - HA ALA 11 14.286% * 16.2846% (0.31 10.00 0.10 0.02) = 16.285% kept T HB2 SER 49 - HA ALA 11 14.286% * 3.1040% (0.29 10.00 0.02 0.24) = 3.104% kept T HA VAL 125 - HA ALA 11 14.286% * 2.6925% (0.25 10.00 0.02 0.02) = 2.692% kept HB THR 38 - HA ALA 11 14.286% * 0.1921% (0.18 1.00 0.02 0.02) = 0.192% HA LYS+ 63 - HA ALA 11 14.286% * 0.1580% (0.15 1.00 0.02 0.02) = 0.158% HA ALA 70 - HA ALA 11 14.286% * 0.1423% (0.13 1.00 0.02 0.02) = 0.142% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1246 (3.95, 4.26, 53.19 ppm): 3 chemical-shift based assignments, quality = 0.316, support = 1.12, residual support = 1.03: HA1 GLY 114 - HA ALA 11 33.333% * 72.1209% (0.32 1.34 1.16) = 72.121% kept HA LEU 74 - HA ALA 11 33.333% * 27.6062% (0.30 0.55 0.70) = 27.606% kept HB THR 96 - HA ALA 11 33.333% * 0.2729% (0.08 0.02 0.02) = 0.273% Peak 1247 (1.39, 4.32, 52.77 ppm): 12 chemical-shift based assignments, quality = 0.393, support = 1.23, residual support = 4.74: * O QB ALA 93 - HA ALA 93 8.333% * 82.7350% (0.39 10.0 1.31 5.71) = 82.735% kept HB3 LEU 17 - HA ALA 93 8.333% * 5.3843% (0.18 1.0 1.86 0.23) = 5.384% kept HG2 LYS+ 78 - HA ALA 93 8.333% * 3.9210% (0.59 1.0 0.42 0.02) = 3.921% kept QG2 THR 39 - HA ALA 93 8.333% * 3.5614% (0.73 1.0 0.31 0.02) = 3.561% kept HB3 LYS+ 20 - HA ALA 93 8.333% * 2.8968% (0.30 1.0 0.59 0.11) = 2.897% kept QB ALA 11 - HA ALA 93 8.333% * 0.6706% (0.33 1.0 0.13 0.02) = 0.671% HG13 ILE 68 - HA ALA 93 8.333% * 0.2579% (0.80 1.0 0.02 0.02) = 0.258% HD3 LYS+ 20 - HA ALA 93 8.333% * 0.2173% (0.68 1.0 0.02 0.11) = 0.217% HG13 ILE 100 - HA ALA 93 8.333% * 0.1266% (0.39 1.0 0.02 0.02) = 0.127% HG LEU 67 - HA ALA 93 8.333% * 0.1166% (0.36 1.0 0.02 0.02) = 0.117% QB ALA 37 - HA ALA 93 8.333% * 0.0723% (0.22 1.0 0.02 0.02) = 0.072% HG3 LYS+ 81 - HA ALA 93 8.333% * 0.0401% (0.12 1.0 0.02 0.11) = 0.040% Peak 1258 (1.43, 4.38, 52.52 ppm): 14 chemical-shift based assignments, quality = 0.142, support = 1.59, residual support = 5.25: * O QB ALA 37 - HA ALA 37 7.143% * 75.0009% (0.12 10.0 1.62 5.85) = 75.001% kept QG2 THR 38 - HA ALA 37 7.143% * 14.9352% (0.21 1.0 1.83 5.32) = 14.935% kept QB ALA 91 - HA ALA 37 7.143% * 8.9363% (0.21 1.0 1.11 0.73) = 8.936% kept HD3 LYS+ 113 - HA ALA 37 7.143% * 0.1599% (0.21 1.0 0.02 0.02) = 0.160% HG3 ARG+ 22 - HA ALA 37 7.143% * 0.1574% (0.21 1.0 0.02 0.02) = 0.157% HG3 LYS+ 55 - HA ALA 37 7.143% * 0.1574% (0.21 1.0 0.02 0.02) = 0.157% HD3 LYS+ 44 - HA ALA 37 7.143% * 0.1543% (0.20 1.0 0.02 0.02) = 0.154% HG3 LYS+ 113 - HA ALA 37 7.143% * 0.1506% (0.20 1.0 0.02 0.02) = 0.151% HG LEU 90 - HA ALA 37 7.143% * 0.1184% (0.16 1.0 0.02 0.02) = 0.118% HG LEU 67 - HA ALA 37 7.143% * 0.0612% (0.08 1.0 0.02 0.02) = 0.061% HG13 ILE 100 - HA ALA 37 7.143% * 0.0556% (0.07 1.0 0.02 0.02) = 0.056% QB ALA 93 - HA ALA 37 7.143% * 0.0556% (0.07 1.0 0.02 0.02) = 0.056% HG2 PRO 59 - HA ALA 37 7.143% * 0.0286% (0.04 1.0 0.02 0.02) = 0.029% HG3 LYS+ 60 - HA ALA 37 7.143% * 0.0286% (0.04 1.0 0.02 0.02) = 0.029% Peak 1259 (1.11, 4.38, 52.53 ppm): 5 chemical-shift based assignments, quality = 0.157, support = 0.02, residual support = 0.02: QG2 THR 79 - HA ALA 37 20.000% * 37.2870% (0.22 0.02 0.02) = 37.287% kept QG2 THR 61 - HA ALA 37 20.000% * 30.8691% (0.18 0.02 0.02) = 30.869% kept HD3 LYS+ 111 - HA ALA 37 20.000% * 13.7782% (0.08 0.02 0.02) = 13.778% kept HG3 LYS+ 32 - HA ALA 37 20.000% * 10.0720% (0.06 0.02 0.02) = 10.072% kept QG2 THR 95 - HA ALA 37 20.000% * 7.9936% (0.05 0.02 0.02) = 7.994% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1261 (6.74, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.797, support = 1.31, residual support = 7.04: * T HZ3 TRP 51 - QD1 ILE 101 50.000% * 97.9981% (0.80 10.00 1.34 7.19) = 97.998% kept QE TYR 83 - QD1 ILE 101 50.000% * 2.0019% (0.91 1.00 0.24 0.02) = 2.002% kept Peak 1262 (4.94, 0.55, 10.95 ppm): 3 chemical-shift based assignments, quality = 0.868, support = 5.25, residual support = 117.9: * HA ILE 101 - QD1 ILE 101 33.333% * 91.7459% (0.89 5.67 128.54) = 91.746% kept HA HIS+ 98 - QD1 ILE 101 33.333% * 7.9042% (0.63 0.70 0.11) = 7.904% kept HA ALA 33 - QD1 ILE 101 33.333% * 0.3500% (0.96 0.02 0.23) = 0.350% Peak 1268 (4.21, 0.55, 10.94 ppm): 9 chemical-shift based assignments, quality = 0.624, support = 1.81, residual support = 2.49: T HB3 SER 49 - QD1 ILE 101 11.111% * 93.4480% (0.63 10.00 1.90 2.59) = 93.448% kept HA ASP- 82 - QD1 ILE 101 11.111% * 2.4596% (0.92 1.00 0.34 0.52) = 2.460% kept HA SER 49 - QD1 ILE 101 11.111% * 2.3800% (0.40 1.00 0.76 2.59) = 2.380% kept HA GLU- 109 - QD1 ILE 101 11.111% * 1.0118% (0.59 1.00 0.22 0.02) = 1.012% kept HA LYS+ 108 - QD1 ILE 101 11.111% * 0.4526% (0.19 1.00 0.30 0.27) = 0.453% HA GLU- 12 - QD1 ILE 101 11.111% * 0.1361% (0.87 1.00 0.02 0.02) = 0.136% HA ALA 42 - QD1 ILE 101 11.111% * 0.0518% (0.33 1.00 0.02 0.02) = 0.052% HA GLU- 10 - QD1 ILE 101 11.111% * 0.0300% (0.19 1.00 0.02 0.02) = 0.030% HA GLU- 54 - QD1 ILE 101 11.111% * 0.0300% (0.19 1.00 0.02 0.02) = 0.030% Reference assignment not found: HA VAL 65 - QD1 ILE 101 Peak 1271 (2.07, 0.55, 10.97 ppm): 12 chemical-shift based assignments, quality = 0.919, support = 4.99, residual support = 111.2: * O HB ILE 101 - QD1 ILE 101 8.333% * 86.3983% (0.97 10.0 5.57 128.54) = 86.398% kept HB3 GLU- 75 - QD1 ILE 101 8.333% * 7.5482% (0.88 1.0 1.91 1.34) = 7.548% kept HG3 PRO 86 - QD1 ILE 101 8.333% * 1.8595% (0.34 1.0 1.24 0.11) = 1.859% kept HG2 GLN 16 - QD1 ILE 101 8.333% * 1.5433% (0.72 1.0 0.48 0.02) = 1.543% kept HG2 PRO 112 - QD1 ILE 101 8.333% * 0.9225% (0.73 1.0 0.28 0.02) = 0.923% HB2 GLU- 45 - QD1 ILE 101 8.333% * 0.8128% (0.44 1.0 0.41 0.02) = 0.813% HB VAL 62 - QD1 ILE 101 8.333% * 0.7101% (0.99 1.0 0.16 0.77) = 0.710% HB3 LYS+ 120 - QD1 ILE 101 8.333% * 0.0765% (0.86 1.0 0.02 0.02) = 0.076% HD3 LYS+ 110 - QD1 ILE 101 8.333% * 0.0429% (0.48 1.0 0.02 0.77) = 0.043% HB2 LYS+ 110 - QD1 ILE 101 8.333% * 0.0362% (0.41 1.0 0.02 0.77) = 0.036% HB VAL 125 - QD1 ILE 101 8.333% * 0.0301% (0.34 1.0 0.02 0.02) = 0.030% HB2 MET 118 - QD1 ILE 101 8.333% * 0.0196% (0.22 1.0 0.02 0.02) = 0.020% Peak 1272 (1.63, 0.55, 10.95 ppm): 11 chemical-shift based assignments, quality = 0.909, support = 4.82, residual support = 125.9: * O T HG12 ILE 101 - QD1 ILE 101 9.091% * 97.9351% (0.93 10.0 10.00 4.91 128.54) = 97.935% kept HB3 PRO 52 - QD1 ILE 101 9.091% * 1.2803% (0.22 1.0 1.00 1.11 0.02) = 1.280% kept T HG3 ARG+ 84 - QD1 ILE 101 9.091% * 0.2049% (0.19 1.0 10.00 0.02 0.02) = 0.205% HG LEU 23 - QD1 ILE 101 9.091% * 0.1015% (0.96 1.0 1.00 0.02 0.50) = 0.101% HB VAL 122 - QD1 ILE 101 9.091% * 0.0956% (0.90 1.0 1.00 0.02 0.02) = 0.096% HB ILE 68 - QD1 ILE 101 9.091% * 0.0956% (0.90 1.0 1.00 0.02 0.10) = 0.096% HG LEU 43 - QD1 ILE 101 9.091% * 0.0956% (0.90 1.0 1.00 0.02 0.02) = 0.096% HG3 LYS+ 78 - QD1 ILE 101 9.091% * 0.0711% (0.67 1.0 1.00 0.02 0.02) = 0.071% HG2 ARG+ 22 - QD1 ILE 101 9.091% * 0.0711% (0.67 1.0 1.00 0.02 3.44) = 0.071% HG2 LYS+ 110 - QD1 ILE 101 9.091% * 0.0353% (0.33 1.0 1.00 0.02 0.77) = 0.035% HD3 LYS+ 32 - QD1 ILE 101 9.091% * 0.0140% (0.13 1.0 1.00 0.02 1.04) = 0.014% Peak 1273 (1.27, 0.55, 10.96 ppm): 5 chemical-shift based assignments, quality = 0.755, support = 4.91, residual support = 123.8: * O T HG13 ILE 101 - QD1 ILE 101 20.000% * 96.3312% (0.75 10.0 10.00 5.08 128.54) = 96.331% kept HG2 LYS+ 32 - QD1 ILE 101 20.000% * 1.9856% (0.98 1.0 1.00 0.32 1.04) = 1.986% kept HG2 LYS+ 81 - QD1 ILE 101 20.000% * 1.5226% (0.82 1.0 1.00 0.29 0.02) = 1.523% kept HB3 LEU 74 - QD1 ILE 101 20.000% * 0.1216% (0.95 1.0 1.00 0.02 0.02) = 0.122% HB2 LYS+ 55 - QD1 ILE 101 20.000% * 0.0389% (0.30 1.0 1.00 0.02 0.02) = 0.039% Peak 1274 (1.00, 0.55, 10.95 ppm): 1 chemical-shift based assignment, quality = 0.975, support = 0.99, residual support = 2.72: T QG1 VAL 99 - QD1 ILE 101 100.000% *100.0000% (0.97 10.00 0.99 2.72) = 100.000% kept Peak 1275 (0.72, 0.55, 10.95 ppm): 10 chemical-shift based assignments, quality = 0.696, support = 4.13, residual support = 64.9: * QG2 ILE 101 - QD1 ILE 101 10.000% * 48.8343% (0.75 6.53 128.54) = 48.834% kept QG2 VAL 65 - QD1 ILE 101 10.000% * 15.4746% (0.72 2.16 5.60) = 15.475% kept QG1 VAL 65 - QD1 ILE 101 10.000% * 12.5051% (0.41 3.08 5.60) = 12.505% kept QG2 ILE 48 - QD1 ILE 101 10.000% * 9.0906% (0.77 1.19 0.14) = 9.091% kept HG3 LYS+ 66 - QD1 ILE 101 10.000% * 5.3311% (0.44 1.21 9.41) = 5.331% kept QG1 VAL 40 - QD1 ILE 101 10.000% * 4.9878% (0.83 0.61 0.59) = 4.988% kept HG LEU 74 - QD1 ILE 101 10.000% * 3.4104% (0.98 0.35 0.02) = 3.410% kept QD1 ILE 68 - QD1 ILE 101 10.000% * 0.1580% (0.79 0.02 0.10) = 0.158% QG2 THR 96 - QD1 ILE 101 10.000% * 0.1197% (0.60 0.02 0.02) = 0.120% HG3 LYS+ 44 - QD1 ILE 101 10.000% * 0.0885% (0.44 0.02 0.02) = 0.088% Peak 1276 (0.55, 0.55, 10.95 ppm): 1 diagonal assignment: * QD1 ILE 101 - QD1 ILE 101 (0.96) kept Peak 1280 (0.93, 0.92, 10.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1281 (5.06, 3.93, 51.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1282 (5.04, 3.84, 51.32 ppm): 2 chemical-shift based assignments, quality = 0.341, support = 0.02, residual support = 0.02: HA PHE 34 - HD3 PRO 86 50.000% * 68.3907% (0.41 0.02 0.02) = 68.391% kept HA PHE 34 - HD3 PRO 116 50.000% * 31.6093% (0.19 0.02 0.02) = 31.609% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1283 (4.85, 3.88, 51.10 ppm): 9 chemical-shift based assignments, quality = 0.893, support = 4.15, residual support = 11.8: * O HA ASP- 115 - HD2 PRO 116 11.111% * 98.3652% (0.90 10.0 4.22 12.01) = 98.365% kept HA ASP- 115 - HD2 PRO 86 11.111% * 1.2488% (0.68 1.0 0.34 0.02) = 1.249% kept HA THR 96 - HD2 PRO 116 11.111% * 0.1031% (0.94 1.0 0.02 0.02) = 0.103% HA THR 96 - HD3 PRO 35 11.111% * 0.0812% (0.74 1.0 0.02 0.02) = 0.081% HA THR 96 - HD2 PRO 86 11.111% * 0.0780% (0.71 1.0 0.02 0.02) = 0.078% HA ASP- 115 - HD3 PRO 35 11.111% * 0.0775% (0.71 1.0 0.02 0.02) = 0.077% HA ILE 19 - HD2 PRO 116 11.111% * 0.0182% (0.17 1.0 0.02 0.02) = 0.018% HA ILE 19 - HD3 PRO 35 11.111% * 0.0143% (0.13 1.0 0.02 0.02) = 0.014% HA ILE 19 - HD2 PRO 86 11.111% * 0.0138% (0.13 1.0 0.02 0.02) = 0.014% Peak 1285 (3.86, 3.88, 51.10 ppm): 3 diagonal assignments: * HD2 PRO 116 - HD2 PRO 116 (0.36) kept HD3 PRO 35 - HD3 PRO 35 (0.34) kept HD2 PRO 86 - HD2 PRO 86 (0.23) kept Peak 1286 (2.04, 3.88, 51.12 ppm): 42 chemical-shift based assignments, quality = 0.499, support = 3.09, residual support = 16.2: O T HG3 PRO 86 - HD2 PRO 86 2.381% * 49.5260% (0.66 10.0 10.00 3.55 22.64) = 49.526% kept * O T HG2 PRO 116 - HD2 PRO 116 2.381% * 26.3313% (0.35 10.0 10.00 4.59 17.74) = 26.331% kept T HG2 PRO 112 - HD3 PRO 35 2.381% * 14.2614% (0.53 1.0 10.00 0.72 1.64) = 14.261% kept T HG3 PRO 112 - HD3 PRO 35 2.381% * 3.2021% (0.14 1.0 10.00 0.60 1.64) = 3.202% kept T HG3 PRO 86 - HD2 PRO 116 2.381% * 0.5860% (0.78 1.0 10.00 0.02 0.02) = 0.586% T HB3 GLU- 54 - HD2 PRO 116 2.381% * 0.5618% (0.75 1.0 10.00 0.02 0.02) = 0.562% T HB2 GLU- 45 - HD2 PRO 116 2.381% * 0.5095% (0.68 1.0 10.00 0.02 0.02) = 0.509% T HG3 PRO 86 - HD3 PRO 35 2.381% * 0.5053% (0.67 1.0 10.00 0.02 0.02) = 0.505% T HB3 GLU- 54 - HD3 PRO 35 2.381% * 0.4844% (0.65 1.0 10.00 0.02 0.02) = 0.484% T HG2 PRO 112 - HD2 PRO 116 2.381% * 0.4575% (0.61 1.0 10.00 0.02 0.02) = 0.458% T HB2 GLU- 45 - HD3 PRO 35 2.381% * 0.4393% (0.59 1.0 10.00 0.02 0.02) = 0.439% T HB3 GLU- 75 - HD2 PRO 116 2.381% * 0.4218% (0.56 1.0 10.00 0.02 0.02) = 0.422% T HG2 PRO 112 - HD2 PRO 86 2.381% * 0.3867% (0.52 1.0 10.00 0.02 0.02) = 0.387% T HB3 GLU- 75 - HD3 PRO 35 2.381% * 0.3637% (0.49 1.0 10.00 0.02 0.02) = 0.364% T HB3 GLU- 75 - HD2 PRO 86 2.381% * 0.3565% (0.48 1.0 10.00 0.02 0.02) = 0.357% T HG2 PRO 116 - HD3 PRO 35 2.381% * 0.2270% (0.30 1.0 10.00 0.02 0.02) = 0.227% T HG2 PRO 116 - HD2 PRO 86 2.381% * 0.2225% (0.30 1.0 10.00 0.02 0.02) = 0.223% T HG3 PRO 112 - HD2 PRO 116 2.381% * 0.1229% (0.16 1.0 10.00 0.02 0.02) = 0.123% T HG3 PRO 112 - HD2 PRO 86 2.381% * 0.1038% (0.14 1.0 10.00 0.02 0.02) = 0.104% HB3 LYS+ 110 - HD2 PRO 116 2.381% * 0.0700% (0.93 1.0 1.00 0.02 0.02) = 0.070% HB3 LYS+ 110 - HD3 PRO 35 2.381% * 0.0604% (0.81 1.0 1.00 0.02 0.02) = 0.060% HB3 LYS+ 110 - HD2 PRO 86 2.381% * 0.0592% (0.79 1.0 1.00 0.02 0.02) = 0.059% HG3 GLU- 64 - HD2 PRO 116 2.381% * 0.0586% (0.78 1.0 1.00 0.02 0.02) = 0.059% HG3 GLU- 64 - HD3 PRO 35 2.381% * 0.0505% (0.67 1.0 1.00 0.02 0.02) = 0.051% HG3 GLU- 64 - HD2 PRO 86 2.381% * 0.0495% (0.66 1.0 1.00 0.02 0.02) = 0.050% HB3 GLU- 10 - HD2 PRO 116 2.381% * 0.0482% (0.64 1.0 1.00 0.02 0.02) = 0.048% HB3 GLU- 64 - HD2 PRO 116 2.381% * 0.0482% (0.64 1.0 1.00 0.02 0.02) = 0.048% HB3 GLU- 54 - HD2 PRO 86 2.381% * 0.0475% (0.63 1.0 1.00 0.02 0.02) = 0.047% HB2 GLU- 45 - HD2 PRO 86 2.381% * 0.0431% (0.57 1.0 1.00 0.02 0.02) = 0.043% HB3 PRO 31 - HD2 PRO 116 2.381% * 0.0426% (0.57 1.0 1.00 0.02 0.02) = 0.043% HB3 GLU- 10 - HD3 PRO 35 2.381% * 0.0416% (0.55 1.0 1.00 0.02 0.02) = 0.042% HB3 GLU- 64 - HD3 PRO 35 2.381% * 0.0416% (0.55 1.0 1.00 0.02 0.02) = 0.042% HB3 GLU- 10 - HD2 PRO 86 2.381% * 0.0407% (0.54 1.0 1.00 0.02 0.02) = 0.041% HB3 GLU- 64 - HD2 PRO 86 2.381% * 0.0407% (0.54 1.0 1.00 0.02 0.02) = 0.041% HB3 PRO 31 - HD3 PRO 35 2.381% * 0.0367% (0.49 1.0 1.00 0.02 0.02) = 0.037% HB3 PRO 31 - HD2 PRO 86 2.381% * 0.0360% (0.48 1.0 1.00 0.02 0.02) = 0.036% HB3 GLU- 107 - HD2 PRO 116 2.381% * 0.0288% (0.38 1.0 1.00 0.02 0.02) = 0.029% HB3 GLU- 107 - HD3 PRO 35 2.381% * 0.0249% (0.33 1.0 1.00 0.02 0.02) = 0.025% HB3 GLU- 107 - HD2 PRO 86 2.381% * 0.0244% (0.33 1.0 1.00 0.02 0.02) = 0.024% HB2 GLU- 18 - HD2 PRO 116 2.381% * 0.0139% (0.19 1.0 1.00 0.02 0.02) = 0.014% HB2 GLU- 18 - HD3 PRO 35 2.381% * 0.0120% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB2 GLU- 18 - HD2 PRO 86 2.381% * 0.0117% (0.16 1.0 1.00 0.02 0.02) = 0.012% Peak 1287 (4.85, 3.83, 51.08 ppm): 9 chemical-shift based assignments, quality = 0.885, support = 3.15, residual support = 11.9: * O HA ASP- 115 - HD3 PRO 116 11.111% * 99.1424% (0.89 10.0 3.18 12.01) = 99.142% kept HA ASP- 115 - HD3 PRO 86 11.111% * 0.5831% (0.61 1.0 0.17 0.02) = 0.583% HA THR 96 - HD3 PRO 116 11.111% * 0.1039% (0.94 1.0 0.02 0.02) = 0.104% HA THR 96 - HD3 PRO 86 11.111% * 0.0711% (0.64 1.0 0.02 0.02) = 0.071% HA THR 96 - HD3 PRO 112 11.111% * 0.0322% (0.29 1.0 0.02 0.02) = 0.032% HA ASP- 115 - HD3 PRO 112 11.111% * 0.0308% (0.28 1.0 0.02 0.02) = 0.031% HA ILE 19 - HD3 PRO 116 11.111% * 0.0184% (0.17 1.0 0.02 0.02) = 0.018% HA ILE 19 - HD3 PRO 86 11.111% * 0.0126% (0.11 1.0 0.02 0.02) = 0.013% HA ILE 19 - HD3 PRO 112 11.111% * 0.0057% (0.05 1.0 0.02 1.03) = 0.006% Peak 1288 (4.60, 3.80, 50.88 ppm): 9 chemical-shift based assignments, quality = 0.586, support = 0.0199, residual support = 0.112: HA ASP- 25 - HD3 PRO 112 11.111% * 39.3602% (0.97 0.02 0.02) = 39.360% kept HA LYS+ 72 - HD3 PRO 112 11.111% * 20.8932% (0.52 0.02 0.46) = 20.893% kept HA ASP- 25 - HD3 PRO 116 11.111% * 16.0746% (0.40 0.02 0.02) = 16.075% kept HA LYS+ 72 - HD3 PRO 116 11.111% * 8.5327% (0.21 0.02 0.02) = 8.533% kept HA LYS+ 78 - HD3 PRO 112 11.111% * 5.3744% (0.13 0.02 0.02) = 5.374% kept HA ASP- 25 - HD3 PRO 86 11.111% * 4.5401% (0.11 0.02 0.02) = 4.540% kept HA LYS+ 72 - HD3 PRO 86 11.111% * 2.4100% (0.06 0.02 0.02) = 2.410% kept HA LYS+ 78 - HD3 PRO 116 11.111% * 2.1949% (0.05 0.02 0.02) = 2.195% kept HA LYS+ 78 - HD3 PRO 86 11.111% * 0.6199% (0.02 0.02 0.02) = 0.620% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1296 (3.82, 3.81, 50.96 ppm): 3 diagonal assignments: * HD3 PRO 116 - HD3 PRO 116 (0.79) kept HD3 PRO 112 - HD3 PRO 112 (0.45) kept HD3 PRO 86 - HD3 PRO 86 (0.31) kept Peak 1297 (3.80, 3.62, 50.82 ppm): 5 chemical-shift based assignments, quality = 0.934, support = 3.86, residual support = 39.4: * O HD3 PRO 112 - HD2 PRO 112 20.000% * 99.8054% (0.94 10.0 3.87 39.48) = 99.805% kept HB3 SER 41 - HD2 PRO 112 20.000% * 0.0864% (0.81 1.0 0.02 0.02) = 0.086% HD3 PRO 86 - HD2 PRO 112 20.000% * 0.0464% (0.43 1.0 0.02 0.02) = 0.046% HD3 PRO 116 - HD2 PRO 112 20.000% * 0.0388% (0.36 1.0 0.02 0.02) = 0.039% HA2 GLY 92 - HD2 PRO 112 20.000% * 0.0230% (0.22 1.0 0.02 0.02) = 0.023% Peak 1300 (3.63, 3.80, 50.86 ppm): 3 chemical-shift based assignments, quality = 0.839, support = 3.85, residual support = 39.3: * O T HD2 PRO 112 - HD3 PRO 112 33.333% * 99.5859% (0.84 10.0 10.00 3.87 39.48) = 99.586% kept T HD2 PRO 112 - HD3 PRO 116 33.333% * 0.3285% (0.28 1.0 10.00 0.02 0.02) = 0.329% T HD2 PRO 112 - HD3 PRO 86 33.333% * 0.0856% (0.07 1.0 10.00 0.02 0.02) = 0.086% Peak 1301 (3.63, 3.62, 50.84 ppm): 1 diagonal assignment: * HD2 PRO 112 - HD2 PRO 112 (0.96) kept Peak 1306 (3.47, 3.46, 50.89 ppm): 1 diagonal assignment: * HD3 PRO 31 - HD3 PRO 31 (0.92) kept Peak 1310 (2.31, 3.88, 51.09 ppm): 18 chemical-shift based assignments, quality = 0.66, support = 3.59, residual support = 16.6: * O T HB3 PRO 116 - HD2 PRO 116 5.556% * 48.9203% (0.78 10.0 10.00 4.59 17.74) = 48.920% kept O T HB3 PRO 86 - HD2 PRO 86 5.556% * 34.1048% (0.55 10.0 10.00 3.64 22.64) = 34.105% kept T HG2 PRO 112 - HD3 PRO 35 5.556% * 14.2760% (0.63 1.0 10.00 0.72 1.64) = 14.276% kept T HG2 PRO 112 - HD2 PRO 116 5.556% * 0.5515% (0.88 1.0 10.00 0.02 0.02) = 0.552% T HB3 PRO 86 - HD2 PRO 116 5.556% * 0.4669% (0.75 1.0 10.00 0.02 0.02) = 0.467% T HG2 PRO 112 - HD2 PRO 86 5.556% * 0.4029% (0.65 1.0 10.00 0.02 0.02) = 0.403% T HB3 PRO 116 - HD2 PRO 86 5.556% * 0.3573% (0.57 1.0 10.00 0.02 0.02) = 0.357% T HB3 PRO 116 - HD3 PRO 35 5.556% * 0.3503% (0.56 1.0 10.00 0.02 0.02) = 0.350% T HB3 PRO 86 - HD3 PRO 35 5.556% * 0.3343% (0.54 1.0 10.00 0.02 0.02) = 0.334% HG2 GLU- 64 - HD2 PRO 116 5.556% * 0.0530% (0.85 1.0 1.00 0.02 0.02) = 0.053% HG2 GLU- 64 - HD2 PRO 86 5.556% * 0.0387% (0.62 1.0 1.00 0.02 0.02) = 0.039% HG2 GLU- 64 - HD3 PRO 35 5.556% * 0.0379% (0.61 1.0 1.00 0.02 0.02) = 0.038% HB2 TYR 83 - HD2 PRO 116 5.556% * 0.0297% (0.48 1.0 1.00 0.02 0.02) = 0.030% HB2 TYR 83 - HD2 PRO 86 5.556% * 0.0217% (0.35 1.0 1.00 0.02 0.02) = 0.022% HB2 TYR 83 - HD3 PRO 35 5.556% * 0.0213% (0.34 1.0 1.00 0.02 0.02) = 0.021% HB2 LYS+ 44 - HD2 PRO 116 5.556% * 0.0136% (0.22 1.0 1.00 0.02 0.02) = 0.014% HB2 LYS+ 44 - HD2 PRO 86 5.556% * 0.0099% (0.16 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 44 - HD3 PRO 35 5.556% * 0.0097% (0.16 1.0 1.00 0.02 0.02) = 0.010% Peak 1311 (2.30, 3.82, 51.00 ppm): 21 chemical-shift based assignments, quality = 0.687, support = 3.86, residual support = 26.3: O HB3 PRO 116 - HD3 PRO 116 4.762% * 49.7641% (0.93 10.0 1.00 3.30 17.74) = 49.764% kept * O HG2 PRO 112 - HD3 PRO 112 4.762% * 32.1472% (0.60 10.0 1.00 4.90 39.48) = 32.147% kept O HB3 PRO 86 - HD3 PRO 86 4.762% * 11.7166% (0.22 10.0 1.00 3.53 22.64) = 11.717% kept O HB3 PRO 112 - HD3 PRO 112 4.762% * 5.3884% (0.10 10.0 1.00 4.31 39.48) = 5.388% kept T HG2 PRO 112 - HD3 PRO 116 4.762% * 0.4654% (0.87 1.0 10.00 0.02 0.02) = 0.465% T HG2 PRO 112 - HD3 PRO 86 4.762% * 0.2207% (0.41 1.0 10.00 0.02 0.02) = 0.221% HG2 GLU- 64 - HD3 PRO 116 4.762% * 0.0507% (0.95 1.0 1.00 0.02 0.02) = 0.051% HG2 GLU- 64 - HD3 PRO 112 4.762% * 0.0350% (0.65 1.0 1.00 0.02 0.02) = 0.035% HB3 PRO 116 - HD3 PRO 112 4.762% * 0.0344% (0.64 1.0 1.00 0.02 0.02) = 0.034% HB3 PRO 86 - HD3 PRO 116 4.762% * 0.0247% (0.46 1.0 1.00 0.02 0.02) = 0.025% HG2 GLU- 64 - HD3 PRO 86 4.762% * 0.0240% (0.45 1.0 1.00 0.02 0.02) = 0.024% HB3 PRO 116 - HD3 PRO 86 4.762% * 0.0236% (0.44 1.0 1.00 0.02 0.02) = 0.024% HB2 LYS+ 44 - HD3 PRO 116 4.762% * 0.0228% (0.43 1.0 1.00 0.02 0.02) = 0.023% HB3 PRO 86 - HD3 PRO 112 4.762% * 0.0171% (0.32 1.0 1.00 0.02 0.02) = 0.017% HB2 LYS+ 44 - HD3 PRO 112 4.762% * 0.0157% (0.29 1.0 1.00 0.02 0.27) = 0.016% HB2 TYR 83 - HD3 PRO 116 4.762% * 0.0127% (0.24 1.0 1.00 0.02 0.02) = 0.013% HB2 LYS+ 44 - HD3 PRO 86 4.762% * 0.0108% (0.20 1.0 1.00 0.02 0.02) = 0.011% HB2 TYR 83 - HD3 PRO 112 4.762% * 0.0087% (0.16 1.0 1.00 0.02 0.24) = 0.009% HB3 PRO 112 - HD3 PRO 116 4.762% * 0.0078% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB2 TYR 83 - HD3 PRO 86 4.762% * 0.0060% (0.11 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 112 - HD3 PRO 86 4.762% * 0.0037% (0.07 1.0 1.00 0.02 0.02) = 0.004% Peak 1312 (2.02, 3.81, 50.97 ppm): 45 chemical-shift based assignments, quality = 0.673, support = 3.56, residual support = 29.6: O T HG2 PRO 116 - HD3 PRO 116 2.222% * 40.0445% (0.84 10.0 10.00 4.31 17.74) = 40.045% kept O HG3 PRO 112 - HD3 PRO 112 2.222% * 32.4796% (0.70 10.0 1.00 1.93 39.48) = 32.480% kept * O HG2 PRO 112 - HD3 PRO 112 2.222% * 22.9074% (0.48 10.0 1.00 4.90 39.48) = 22.907% kept O T HG3 PRO 86 - HD3 PRO 86 2.222% * 2.6284% (0.05 10.0 10.00 3.38 22.64) = 2.628% kept T HG3 PRO 112 - HD3 PRO 116 2.222% * 0.3481% (0.73 1.0 10.00 0.02 0.02) = 0.348% T HG2 PRO 112 - HD3 PRO 116 2.222% * 0.2373% (0.50 1.0 10.00 0.02 0.02) = 0.237% T HG2 PRO 116 - HD3 PRO 86 2.222% * 0.1700% (0.35 1.0 10.00 0.02 0.02) = 0.170% T HG3 PRO 112 - HD3 PRO 86 2.222% * 0.1478% (0.31 1.0 10.00 0.02 0.02) = 0.148% T HG2 PRO 112 - HD3 PRO 86 2.222% * 0.1007% (0.21 1.0 10.00 0.02 0.02) = 0.101% T HG3 PRO 86 - HD3 PRO 116 2.222% * 0.0619% (0.13 1.0 10.00 0.02 0.02) = 0.062% HB3 GLU- 107 - HD3 PRO 116 2.222% * 0.0401% (0.84 1.0 1.00 0.02 0.02) = 0.040% HB3 GLU- 107 - HD3 PRO 112 2.222% * 0.0387% (0.81 1.0 1.00 0.02 0.02) = 0.039% HG2 PRO 116 - HD3 PRO 112 2.222% * 0.0387% (0.81 1.0 1.00 0.02 0.02) = 0.039% HB3 PRO 31 - HD3 PRO 116 2.222% * 0.0380% (0.79 1.0 1.00 0.02 0.02) = 0.038% HB3 PRO 31 - HD3 PRO 112 2.222% * 0.0366% (0.76 1.0 1.00 0.02 0.02) = 0.037% HB3 GLU- 64 - HD3 PRO 116 2.222% * 0.0360% (0.75 1.0 1.00 0.02 0.02) = 0.036% HB3 GLU- 10 - HD3 PRO 116 2.222% * 0.0360% (0.75 1.0 1.00 0.02 0.02) = 0.036% HB2 GLU- 18 - HD3 PRO 116 2.222% * 0.0360% (0.75 1.0 1.00 0.02 0.02) = 0.036% HB2 GLU- 18 - HD3 PRO 112 2.222% * 0.0347% (0.73 1.0 1.00 0.02 0.12) = 0.035% HB3 GLU- 10 - HD3 PRO 112 2.222% * 0.0347% (0.73 1.0 1.00 0.02 0.02) = 0.035% HB3 GLU- 64 - HD3 PRO 112 2.222% * 0.0347% (0.73 1.0 1.00 0.02 0.02) = 0.035% HB3 GLU- 54 - HD3 PRO 116 2.222% * 0.0321% (0.67 1.0 1.00 0.02 0.02) = 0.032% HB2 HIS+ 14 - HD3 PRO 116 2.222% * 0.0321% (0.67 1.0 1.00 0.02 0.02) = 0.032% HB3 MET 118 - HD3 PRO 116 2.222% * 0.0321% (0.67 1.0 1.00 0.02 0.02) = 0.032% HB3 GLU- 54 - HD3 PRO 112 2.222% * 0.0310% (0.65 1.0 1.00 0.02 0.12) = 0.031% HB2 HIS+ 14 - HD3 PRO 112 2.222% * 0.0310% (0.65 1.0 1.00 0.02 0.02) = 0.031% HB3 MET 118 - HD3 PRO 112 2.222% * 0.0310% (0.65 1.0 1.00 0.02 0.02) = 0.031% HG3 GLU- 64 - HD3 PRO 116 2.222% * 0.0307% (0.64 1.0 1.00 0.02 0.02) = 0.031% HG3 GLU- 64 - HD3 PRO 112 2.222% * 0.0296% (0.62 1.0 1.00 0.02 0.02) = 0.030% HB3 LYS+ 110 - HD3 PRO 116 2.222% * 0.0180% (0.38 1.0 1.00 0.02 0.02) = 0.018% HB3 LYS+ 110 - HD3 PRO 112 2.222% * 0.0174% (0.36 1.0 1.00 0.02 0.02) = 0.017% HB3 GLU- 107 - HD3 PRO 86 2.222% * 0.0170% (0.36 1.0 1.00 0.02 0.02) = 0.017% HB3 PRO 31 - HD3 PRO 86 2.222% * 0.0161% (0.34 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 75 - HD3 PRO 116 2.222% * 0.0160% (0.33 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 75 - HD3 PRO 112 2.222% * 0.0154% (0.32 1.0 1.00 0.02 0.30) = 0.015% HB3 GLU- 64 - HD3 PRO 86 2.222% * 0.0153% (0.32 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 10 - HD3 PRO 86 2.222% * 0.0153% (0.32 1.0 1.00 0.02 0.02) = 0.015% HB2 GLU- 18 - HD3 PRO 86 2.222% * 0.0153% (0.32 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 54 - HD3 PRO 86 2.222% * 0.0136% (0.28 1.0 1.00 0.02 0.02) = 0.014% HB3 MET 118 - HD3 PRO 86 2.222% * 0.0136% (0.28 1.0 1.00 0.02 0.02) = 0.014% HB2 HIS+ 14 - HD3 PRO 86 2.222% * 0.0136% (0.28 1.0 1.00 0.02 0.02) = 0.014% HG3 GLU- 64 - HD3 PRO 86 2.222% * 0.0130% (0.27 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 110 - HD3 PRO 86 2.222% * 0.0076% (0.16 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 75 - HD3 PRO 86 2.222% * 0.0068% (0.14 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 86 - HD3 PRO 112 2.222% * 0.0060% (0.12 1.0 1.00 0.02 0.02) = 0.006% Peak 1313 (1.99, 3.62, 50.80 ppm): 42 chemical-shift based assignments, quality = 0.443, support = 3.61, residual support = 31.7: * O T HG3 PRO 112 - HD2 PRO 112 2.381% * 39.3644% (0.54 10.0 10.00 3.66 39.48) = 39.364% kept O T HG2 PRO 112 - HD2 PRO 112 2.381% * 33.8609% (0.47 10.0 10.00 5.00 39.48) = 33.861% kept T HG3 PRO 104 - HD2 PRO 112 2.381% * 20.4900% (0.34 1.0 10.00 1.68 3.72) = 20.490% kept O HG3 PRO 104 - HD2 PRO 104 2.381% * 3.7511% (0.05 10.0 1.00 2.32 38.93) = 3.751% kept O HB3 PRO 31 - HD2 PRO 31 2.381% * 1.6108% (0.02 10.0 1.00 2.54 34.96) = 1.611% kept T HG2 PRO 116 - HD2 PRO 112 2.381% * 0.2214% (0.31 1.0 10.00 0.02 0.02) = 0.221% T HB3 GLU- 75 - HD2 PRO 112 2.381% * 0.1388% (0.19 1.0 10.00 0.02 0.30) = 0.139% HB2 LYS+ 108 - HD2 PRO 112 2.381% * 0.0563% (0.78 1.0 1.00 0.02 0.02) = 0.056% T HG2 PRO 112 - HD2 PRO 104 2.381% * 0.0521% (0.07 1.0 10.00 0.02 3.72) = 0.052% T HG2 PRO 112 - HD2 PRO 31 2.381% * 0.0480% (0.07 1.0 10.00 0.02 0.02) = 0.048% HB3 MET 118 - HD2 PRO 112 2.381% * 0.0446% (0.62 1.0 1.00 0.02 0.02) = 0.045% HB2 HIS+ 14 - HD2 PRO 112 2.381% * 0.0446% (0.62 1.0 1.00 0.02 0.02) = 0.045% HB2 PRO 86 - HD2 PRO 112 2.381% * 0.0446% (0.62 1.0 1.00 0.02 0.02) = 0.045% HB2 GLU- 18 - HD2 PRO 112 2.381% * 0.0367% (0.51 1.0 1.00 0.02 0.12) = 0.037% HB3 GLU- 56 - HD2 PRO 112 2.381% * 0.0316% (0.44 1.0 1.00 0.02 0.14) = 0.032% T HB3 GLU- 75 - HD2 PRO 104 2.381% * 0.0214% (0.03 1.0 10.00 0.02 0.02) = 0.021% HB3 GLU- 107 - HD2 PRO 112 2.381% * 0.0200% (0.28 1.0 1.00 0.02 0.02) = 0.020% HB VAL 73 - HD2 PRO 112 2.381% * 0.0200% (0.28 1.0 1.00 0.02 0.41) = 0.020% T HB3 GLU- 75 - HD2 PRO 31 2.381% * 0.0197% (0.03 1.0 10.00 0.02 0.02) = 0.020% HB3 PRO 31 - HD2 PRO 112 2.381% * 0.0114% (0.16 1.0 1.00 0.02 0.02) = 0.011% HB2 LYS+ 108 - HD2 PRO 104 2.381% * 0.0087% (0.12 1.0 1.00 0.02 0.02) = 0.009% HB2 LYS+ 108 - HD2 PRO 31 2.381% * 0.0080% (0.11 1.0 1.00 0.02 0.02) = 0.008% HB3 MET 118 - HD2 PRO 104 2.381% * 0.0069% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB2 HIS+ 14 - HD2 PRO 104 2.381% * 0.0069% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB2 PRO 86 - HD2 PRO 104 2.381% * 0.0069% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB3 MET 118 - HD2 PRO 31 2.381% * 0.0063% (0.09 1.0 1.00 0.02 0.02) = 0.006% HB2 HIS+ 14 - HD2 PRO 31 2.381% * 0.0063% (0.09 1.0 1.00 0.02 0.02) = 0.006% HB2 PRO 86 - HD2 PRO 31 2.381% * 0.0063% (0.09 1.0 1.00 0.02 0.02) = 0.006% HG3 PRO 112 - HD2 PRO 104 2.381% * 0.0061% (0.08 1.0 1.00 0.02 3.72) = 0.006% HB2 GLU- 18 - HD2 PRO 104 2.381% * 0.0057% (0.08 1.0 1.00 0.02 0.02) = 0.006% HG3 PRO 112 - HD2 PRO 31 2.381% * 0.0056% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB2 GLU- 18 - HD2 PRO 31 2.381% * 0.0052% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB3 GLU- 56 - HD2 PRO 104 2.381% * 0.0049% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB3 GLU- 56 - HD2 PRO 31 2.381% * 0.0045% (0.06 1.0 1.00 0.02 0.02) = 0.004% HG3 PRO 104 - HD2 PRO 31 2.381% * 0.0035% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG2 PRO 116 - HD2 PRO 104 2.381% * 0.0034% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG2 PRO 116 - HD2 PRO 31 2.381% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 GLU- 107 - HD2 PRO 104 2.381% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB VAL 73 - HD2 PRO 104 2.381% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 GLU- 107 - HD2 PRO 31 2.381% * 0.0028% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB VAL 73 - HD2 PRO 31 2.381% * 0.0028% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 31 - HD2 PRO 104 2.381% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1314 (2.01, 2.01, 9.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1315 (1.96, 3.46, 50.97 ppm): 15 chemical-shift based assignments, quality = 0.789, support = 3.08, residual support = 34.6: * O T HG3 PRO 31 - HD3 PRO 31 6.667% * 98.9936% (0.80 10.0 10.00 3.11 34.96) = 98.994% kept HB VAL 13 - HD3 PRO 31 6.667% * 0.1185% (0.95 1.0 1.00 0.02 0.02) = 0.119% HG3 PRO 116 - HD3 PRO 31 6.667% * 0.1183% (0.95 1.0 1.00 0.02 0.02) = 0.118% HB2 PRO 35 - HD3 PRO 31 6.667% * 0.1162% (0.94 1.0 1.00 0.02 0.02) = 0.116% HB3 GLU- 109 - HD3 PRO 31 6.667% * 0.1162% (0.94 1.0 1.00 0.02 0.02) = 0.116% HB3 LYS+ 55 - HD3 PRO 31 6.667% * 0.0949% (0.76 1.0 1.00 0.02 0.02) = 0.095% HB VAL 73 - HD3 PRO 31 6.667% * 0.0767% (0.62 1.0 1.00 0.02 0.02) = 0.077% HB2 GLU- 75 - HD3 PRO 31 6.667% * 0.0719% (0.58 1.0 1.00 0.02 0.02) = 0.072% HG3 PRO 104 - HD3 PRO 31 6.667% * 0.0671% (0.54 1.0 1.00 0.02 0.02) = 0.067% HB3 GLU- 56 - HD3 PRO 31 6.667% * 0.0531% (0.43 1.0 1.00 0.02 0.02) = 0.053% HG2 PRO 112 - HD3 PRO 31 6.667% * 0.0492% (0.40 1.0 1.00 0.02 0.02) = 0.049% HB2 PRO 116 - HD3 PRO 31 6.667% * 0.0366% (0.29 1.0 1.00 0.02 0.02) = 0.037% HB2 GLU- 10 - HD3 PRO 31 6.667% * 0.0366% (0.29 1.0 1.00 0.02 0.02) = 0.037% HB2 PRO 86 - HD3 PRO 31 6.667% * 0.0330% (0.27 1.0 1.00 0.02 0.02) = 0.033% HB2 LYS+ 108 - HD3 PRO 31 6.667% * 0.0183% (0.15 1.0 1.00 0.02 0.02) = 0.018% Peak 1316 (1.78, 3.58, 50.95 ppm): 20 chemical-shift based assignments, quality = 0.938, support = 2.73, residual support = 34.0: * O T HG2 PRO 31 - HD2 PRO 31 5.000% * 97.2122% (0.97 10.0 10.00 2.81 34.96) = 97.212% kept T HG3 LYS+ 63 - HD2 PRO 31 5.000% * 0.9743% (0.97 1.0 10.00 0.02 0.02) = 0.974% HB3 GLU- 18 - HD2 PRO 31 5.000% * 0.8876% (0.74 1.0 1.00 0.24 0.02) = 0.888% T HG3 LYS+ 63 - HD2 PRO 104 5.000% * 0.1930% (0.19 1.0 10.00 0.02 0.02) = 0.193% T HG2 PRO 31 - HD2 PRO 104 5.000% * 0.1926% (0.19 1.0 10.00 0.02 0.02) = 0.193% HG3 ARG+ 53 - HD2 PRO 31 5.000% * 0.0940% (0.93 1.0 1.00 0.02 0.02) = 0.094% HB2 ARG+ 84 - HD2 PRO 31 5.000% * 0.0814% (0.81 1.0 1.00 0.02 0.02) = 0.081% HG2 ARG+ 84 - HD2 PRO 31 5.000% * 0.0780% (0.77 1.0 1.00 0.02 0.02) = 0.078% HB3 LYS+ 108 - HD2 PRO 31 5.000% * 0.0745% (0.74 1.0 1.00 0.02 0.02) = 0.074% HB3 LYS+ 63 - HD2 PRO 31 5.000% * 0.0745% (0.74 1.0 1.00 0.02 0.02) = 0.074% HB2 GLU- 109 - HD2 PRO 31 5.000% * 0.0193% (0.19 1.0 1.00 0.02 0.02) = 0.019% HG3 ARG+ 53 - HD2 PRO 104 5.000% * 0.0186% (0.18 1.0 1.00 0.02 0.02) = 0.019% HD3 PRO 59 - HD2 PRO 31 5.000% * 0.0171% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB2 ARG+ 84 - HD2 PRO 104 5.000% * 0.0161% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG2 ARG+ 84 - HD2 PRO 104 5.000% * 0.0155% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB3 LYS+ 108 - HD2 PRO 104 5.000% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB3 LYS+ 63 - HD2 PRO 104 5.000% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 18 - HD2 PRO 104 5.000% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB2 GLU- 109 - HD2 PRO 104 5.000% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HD3 PRO 59 - HD2 PRO 104 5.000% * 0.0034% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1317 (1.78, 3.46, 50.99 ppm): 10 chemical-shift based assignments, quality = 0.786, support = 3.0, residual support = 33.7: * O T HG2 PRO 31 - HD3 PRO 31 10.000% * 96.2535% (0.80 10.0 10.00 3.11 34.96) = 96.253% kept HB3 GLU- 18 - HD3 PRO 31 10.000% * 2.2465% (0.89 1.0 1.00 0.42 0.02) = 2.246% kept T HG3 LYS+ 63 - HD3 PRO 31 10.000% * 0.9952% (0.82 1.0 10.00 0.02 0.02) = 0.995% HB2 ARG+ 84 - HD3 PRO 31 10.000% * 0.1100% (0.91 1.0 1.00 0.02 0.02) = 0.110% HG2 ARG+ 84 - HD3 PRO 31 10.000% * 0.1088% (0.90 1.0 1.00 0.02 0.02) = 0.109% HG3 ARG+ 53 - HD3 PRO 31 10.000% * 0.1088% (0.90 1.0 1.00 0.02 0.02) = 0.109% HB3 LYS+ 108 - HD3 PRO 31 10.000% * 0.0540% (0.45 1.0 1.00 0.02 0.02) = 0.054% HB3 LYS+ 63 - HD3 PRO 31 10.000% * 0.0540% (0.45 1.0 1.00 0.02 0.02) = 0.054% HD3 PRO 59 - HD3 PRO 31 10.000% * 0.0416% (0.34 1.0 1.00 0.02 0.02) = 0.042% HB2 LEU 17 - HD3 PRO 31 10.000% * 0.0277% (0.23 1.0 1.00 0.02 0.11) = 0.028% Peak 1320 (4.55, 3.75, 50.58 ppm): 4 chemical-shift based assignments, quality = 0.783, support = 2.05, residual support = 11.0: * O HA ALA 103 - HD3 PRO 104 25.000% * 99.8235% (0.78 10.0 2.05 11.06) = 99.824% kept HA LEU 17 - HD3 PRO 104 25.000% * 0.1236% (0.97 1.0 0.02 0.02) = 0.124% HA LYS+ 78 - HD3 PRO 104 25.000% * 0.0311% (0.24 1.0 0.02 0.02) = 0.031% HB THR 46 - HD3 PRO 104 25.000% * 0.0218% (0.17 1.0 0.02 0.02) = 0.022% Peak 1321 (4.57, 3.61, 50.61 ppm): 9 chemical-shift based assignments, quality = 0.29, support = 0.537, residual support = 0.206: HA LYS+ 78 - HD2 PRO 112 11.111% * 43.4864% (0.36 0.48 0.02) = 43.486% kept HA LYS+ 72 - HD2 PRO 112 11.111% * 41.8308% (0.22 0.75 0.46) = 41.831% kept HA LYS+ 78 - HD2 PRO 104 11.111% * 9.3322% (0.37 0.10 0.02) = 9.332% kept HA LEU 17 - HD2 PRO 31 11.111% * 2.1576% (0.03 0.27 0.11) = 2.158% kept HA LYS+ 72 - HD2 PRO 104 11.111% * 1.1296% (0.23 0.02 0.02) = 1.130% kept HA LEU 17 - HD2 PRO 104 11.111% * 0.6990% (0.14 0.02 0.02) = 0.699% HA LEU 17 - HD2 PRO 112 11.111% * 0.6902% (0.14 0.02 0.02) = 0.690% HA LYS+ 78 - HD2 PRO 31 11.111% * 0.4182% (0.08 0.02 0.02) = 0.418% HA LYS+ 72 - HD2 PRO 31 11.111% * 0.2559% (0.05 0.02 0.02) = 0.256% Reference assignment not found: HA ALA 103 - HD2 PRO 104 Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1325 (3.62, 3.75, 50.58 ppm): 1 chemical-shift based assignment, quality = 0.89, support = 1.5, residual support = 3.72: HD2 PRO 112 - HD3 PRO 104 100.000% *100.0000% (0.89 1.50 3.72) = 100.000% kept Peak 1326 (1.96, 3.75, 50.63 ppm): 15 chemical-shift based assignments, quality = 0.54, support = 3.48, residual support = 37.2: * O HG3 PRO 104 - HD3 PRO 104 6.667% * 95.1053% (0.55 10.0 3.63 38.93) = 95.105% kept HG2 PRO 112 - HD3 PRO 104 6.667% * 3.4928% (0.41 1.0 1.00 3.72) = 3.493% kept HB VAL 13 - HD3 PRO 104 6.667% * 0.1680% (0.98 1.0 0.02 0.02) = 0.168% HG3 PRO 116 - HD3 PRO 104 6.667% * 0.1676% (0.97 1.0 0.02 0.02) = 0.168% HB2 PRO 35 - HD3 PRO 104 6.667% * 0.1647% (0.96 1.0 0.02 0.02) = 0.165% HB3 GLU- 109 - HD3 PRO 104 6.667% * 0.1647% (0.96 1.0 0.02 0.02) = 0.165% HG3 PRO 31 - HD3 PRO 104 6.667% * 0.1403% (0.82 1.0 0.02 0.02) = 0.140% HB3 LYS+ 55 - HD3 PRO 104 6.667% * 0.1345% (0.78 1.0 0.02 0.02) = 0.135% HB VAL 73 - HD3 PRO 104 6.667% * 0.1087% (0.63 1.0 0.02 0.02) = 0.109% HB2 GLU- 75 - HD3 PRO 104 6.667% * 0.1019% (0.59 1.0 0.02 0.02) = 0.102% HB3 GLU- 56 - HD3 PRO 104 6.667% * 0.0753% (0.44 1.0 0.02 0.02) = 0.075% HB2 PRO 116 - HD3 PRO 104 6.667% * 0.0518% (0.30 1.0 0.02 0.02) = 0.052% HB2 GLU- 10 - HD3 PRO 104 6.667% * 0.0518% (0.30 1.0 0.02 0.02) = 0.052% HB2 PRO 86 - HD3 PRO 104 6.667% * 0.0467% (0.27 1.0 0.02 0.02) = 0.047% HB2 LYS+ 108 - HD3 PRO 104 6.667% * 0.0259% (0.15 1.0 0.02 0.02) = 0.026% Peak 1327 (1.31, 3.75, 50.60 ppm): 4 chemical-shift based assignments, quality = 0.64, support = 3.23, residual support = 10.5: * T QB ALA 103 - HD3 PRO 104 25.000% * 95.0569% (0.63 10.00 3.38 11.06) = 95.057% kept QG2 THR 46 - HD3 PRO 104 25.000% * 3.5139% (0.96 1.00 0.48 0.02) = 3.514% kept HB2 ARG+ 22 - HD3 PRO 104 25.000% * 1.3740% (0.74 1.00 0.24 0.02) = 1.374% kept HB2 LYS+ 55 - HD3 PRO 104 25.000% * 0.0551% (0.36 1.00 0.02 0.02) = 0.055% Peak 1328 (1.32, 3.60, 50.59 ppm): 12 chemical-shift based assignments, quality = 0.339, support = 2.54, residual support = 9.06: * T QB ALA 103 - HD2 PRO 104 8.333% * 81.1733% (0.37 10.00 2.93 11.06) = 81.173% kept T QB ALA 103 - HD2 PRO 112 8.333% * 15.3405% (0.14 10.00 0.99 0.53) = 15.341% kept QG2 THR 46 - HD2 PRO 104 8.333% * 3.1459% (0.61 1.00 0.47 0.02) = 3.146% kept HB2 ARG+ 22 - HD2 PRO 104 8.333% * 0.1072% (0.49 1.00 0.02 0.02) = 0.107% QG2 THR 46 - HD2 PRO 112 8.333% * 0.0512% (0.23 1.00 0.02 0.02) = 0.051% HB2 LYS+ 55 - HD2 PRO 104 8.333% * 0.0457% (0.21 1.00 0.02 0.02) = 0.046% HB2 ARG+ 22 - HD2 PRO 112 8.333% * 0.0411% (0.19 1.00 0.02 0.02) = 0.041% QG2 THR 46 - HD2 PRO 31 8.333% * 0.0283% (0.13 1.00 0.02 0.02) = 0.028% HB2 ARG+ 22 - HD2 PRO 31 8.333% * 0.0227% (0.10 1.00 0.02 0.02) = 0.023% HB2 LYS+ 55 - HD2 PRO 112 8.333% * 0.0175% (0.08 1.00 0.02 0.68) = 0.017% QB ALA 103 - HD2 PRO 31 8.333% * 0.0172% (0.08 1.00 0.02 0.02) = 0.017% HB2 LYS+ 55 - HD2 PRO 31 8.333% * 0.0097% (0.04 1.00 0.02 0.02) = 0.010% Peak 1329 (4.36, 3.28, 50.25 ppm): 8 chemical-shift based assignments, quality = 0.766, support = 3.72, residual support = 19.0: * O T HA TRP 51 - HD2 PRO 52 12.500% * 98.5827% (0.78 10.0 10.00 3.77 19.28) = 98.583% kept T HA LYS+ 60 - HD2 PRO 52 12.500% * 0.9409% (0.74 1.0 10.00 0.02 0.02) = 0.941% HA2 GLY 26 - HD2 PRO 52 12.500% * 0.1228% (0.97 1.0 1.00 0.02 0.02) = 0.123% HB THR 61 - HD2 PRO 52 12.500% * 0.1188% (0.94 1.0 1.00 0.02 0.02) = 0.119% HA ALA 37 - HD2 PRO 52 12.500% * 0.0796% (0.63 1.0 1.00 0.02 0.02) = 0.080% HA SER 27 - HD2 PRO 52 12.500% * 0.0747% (0.59 1.0 1.00 0.02 0.02) = 0.075% HA ALA 91 - HD2 PRO 52 12.500% * 0.0462% (0.36 1.0 1.00 0.02 0.50) = 0.046% HA SER 88 - HD2 PRO 52 12.500% * 0.0342% (0.27 1.0 1.00 0.02 0.02) = 0.034% Peak 1330 (4.36, 1.87, 50.27 ppm): 8 chemical-shift based assignments, quality = 0.721, support = 3.45, residual support = 19.2: * O HA TRP 51 - HD3 PRO 52 12.500% * 99.4231% (0.72 10.0 3.47 19.28) = 99.423% kept HA2 GLY 26 - HD3 PRO 52 12.500% * 0.1342% (0.98 1.0 0.02 0.02) = 0.134% HB THR 61 - HD3 PRO 52 12.500% * 0.1264% (0.92 1.0 0.02 0.02) = 0.126% HA LYS+ 60 - HD3 PRO 52 12.500% * 0.0941% (0.69 1.0 0.02 0.02) = 0.094% HA ALA 37 - HD3 PRO 52 12.500% * 0.0775% (0.57 1.0 0.02 0.02) = 0.078% HA SER 27 - HD3 PRO 52 12.500% * 0.0720% (0.53 1.0 0.02 0.02) = 0.072% HA ALA 91 - HD3 PRO 52 12.500% * 0.0423% (0.31 1.0 0.02 0.50) = 0.042% HA SER 88 - HD3 PRO 52 12.500% * 0.0305% (0.22 1.0 0.02 0.02) = 0.030% Peak 1332 (3.28, 3.27, 50.25 ppm): 1 diagonal assignment: * HD2 PRO 52 - HD2 PRO 52 (0.48) kept Peak 1334 (1.88, 3.28, 50.27 ppm): 14 chemical-shift based assignments, quality = 0.907, support = 4.37, residual support = 114.5: O HD3 PRO 52 - HD2 PRO 52 7.143% * 94.5735% (0.95 10.0 4.43 119.95) = 94.573% kept HB3 ARG+ 53 - HD2 PRO 52 7.143% * 4.6217% (0.24 1.0 3.84 23.29) = 4.622% kept HG2 PRO 112 - HD2 PRO 52 7.143% * 0.2660% (0.22 1.0 0.25 0.02) = 0.266% HG3 LYS+ 120 - HD2 PRO 52 7.143% * 0.0946% (0.95 1.0 0.02 0.02) = 0.095% HB3 ARG+ 84 - HD2 PRO 52 7.143% * 0.0931% (0.93 1.0 0.02 0.02) = 0.093% HG2 GLU- 18 - HD2 PRO 52 7.143% * 0.0585% (0.59 1.0 0.02 0.02) = 0.059% HB3 GLN 16 - HD2 PRO 52 7.143% * 0.0585% (0.59 1.0 0.02 0.12) = 0.059% HD2 PRO 59 - HD2 PRO 52 7.143% * 0.0508% (0.51 1.0 0.02 0.02) = 0.051% HB VAL 94 - HD2 PRO 52 7.143% * 0.0470% (0.47 1.0 0.02 0.02) = 0.047% HB3 CYS 123 - HD2 PRO 52 7.143% * 0.0362% (0.36 1.0 0.02 0.02) = 0.036% HB2 PRO 112 - HD2 PRO 52 7.143% * 0.0277% (0.28 1.0 0.02 0.02) = 0.028% HB2 PRO 104 - HD2 PRO 52 7.143% * 0.0268% (0.27 1.0 0.02 0.02) = 0.027% HB3 LYS+ 72 - HD2 PRO 52 7.143% * 0.0241% (0.24 1.0 0.02 0.02) = 0.024% HB3 LYS+ 60 - HD2 PRO 52 7.143% * 0.0215% (0.22 1.0 0.02 0.02) = 0.021% Peak 1335 (1.87, 1.87, 50.25 ppm): 1 diagonal assignment: * HD3 PRO 52 - HD3 PRO 52 (0.98) kept Peak 1336 (1.69, 3.29, 50.26 ppm): 8 chemical-shift based assignments, quality = 0.966, support = 4.98, residual support = 119.6: O T HG2 PRO 52 - HD2 PRO 52 12.500% * 99.6906% (0.97 10.0 10.00 5.00 119.95) = 99.691% kept HG13 ILE 19 - HD2 PRO 52 12.500% * 0.0912% (0.89 1.0 1.00 0.02 0.02) = 0.091% HD3 LYS+ 55 - HD2 PRO 52 12.500% * 0.0814% (0.79 1.0 1.00 0.02 2.54) = 0.081% HB3 LYS+ 81 - HD2 PRO 52 12.500% * 0.0418% (0.41 1.0 1.00 0.02 0.02) = 0.042% HB3 MET 126 - HD2 PRO 52 12.500% * 0.0283% (0.27 1.0 1.00 0.02 0.02) = 0.028% HB2 GLN 16 - HD2 PRO 52 12.500% * 0.0283% (0.27 1.0 1.00 0.02 0.12) = 0.028% HB3 MET 97 - HD2 PRO 52 12.500% * 0.0226% (0.22 1.0 1.00 0.02 0.02) = 0.023% HB ILE 100 - HD2 PRO 52 12.500% * 0.0157% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 1338 (1.47, 3.28, 50.26 ppm): 7 chemical-shift based assignments, quality = 0.932, support = 4.5, residual support = 116.8: O T HG3 PRO 52 - HD2 PRO 52 14.286% * 97.3406% (0.94 10.0 10.00 4.61 119.95) = 97.341% kept HB3 LEU 67 - HD2 PRO 52 14.286% * 1.7632% (0.97 1.0 1.00 0.35 0.14) = 1.763% kept T HG2 PRO 59 - HD2 PRO 52 14.286% * 0.6118% (0.59 1.0 10.00 0.02 0.02) = 0.612% HG13 ILE 48 - HD2 PRO 52 14.286% * 0.0808% (0.78 1.0 1.00 0.02 0.02) = 0.081% HB3 LYS+ 44 - HD2 PRO 52 14.286% * 0.0732% (0.71 1.0 1.00 0.02 0.02) = 0.073% QB ALA 70 - HD2 PRO 52 14.286% * 0.0693% (0.67 1.0 1.00 0.02 0.02) = 0.069% HG3 LYS+ 60 - HD2 PRO 52 14.286% * 0.0612% (0.59 1.0 1.00 0.02 0.02) = 0.061% Peak 1340 (4.10, 3.59, 50.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1351 (2.80, 1.75, 47.62 ppm): 6 chemical-shift based assignments, quality = 0.641, support = 3.15, residual support = 17.8: * O HA2 GLY 58 - HD3 PRO 59 16.667% * 99.6749% (0.64 10.0 3.16 17.89) = 99.675% kept HE3 LYS+ 32 - HD3 PRO 59 16.667% * 0.0968% (0.63 1.0 0.02 0.02) = 0.097% HE3 LYS+ 111 - HD3 PRO 59 16.667% * 0.0784% (0.51 1.0 0.02 0.02) = 0.078% HB2 ASN 119 - HD3 PRO 59 16.667% * 0.0699% (0.45 1.0 0.02 0.02) = 0.070% HB3 ASN 89 - HD3 PRO 59 16.667% * 0.0611% (0.39 1.0 0.02 0.02) = 0.061% HB3 ASN 119 - HD3 PRO 59 16.667% * 0.0189% (0.12 1.0 0.02 0.02) = 0.019% Peak 1363 (1.46, 1.47, 46.81 ppm): 1 diagonal assignment: * HB3 LEU 67 - HB3 LEU 67 (0.84) kept Peak 1364 (1.46, 1.21, 46.81 ppm): 11 chemical-shift based assignments, quality = 0.747, support = 3.98, residual support = 100.8: * O T HB3 LEU 67 - HB2 LEU 67 9.091% * 87.6254% (0.74 10.0 10.00 4.40 114.96) = 87.625% kept HG3 PRO 52 - HB2 LEU 67 9.091% * 6.2514% (0.79 1.0 1.00 1.34 0.14) = 6.251% kept HG2 PRO 59 - HB2 LEU 67 9.091% * 4.4578% (0.81 1.0 1.00 0.93 0.80) = 4.458% kept HG3 LYS+ 60 - HB2 LEU 67 9.091% * 1.4097% (0.81 1.0 1.00 0.30 0.02) = 1.410% kept HG13 ILE 48 - HB2 LEU 67 9.091% * 0.1010% (0.86 1.0 1.00 0.02 0.17) = 0.101% HG LEU 90 - HB2 LEU 67 9.091% * 0.0379% (0.32 1.0 1.00 0.02 0.02) = 0.038% HB3 LYS+ 44 - HB2 LEU 67 9.091% * 0.0345% (0.29 1.0 1.00 0.02 0.80) = 0.034% QB ALA 70 - HB2 LEU 67 9.091% * 0.0312% (0.26 1.0 1.00 0.02 0.02) = 0.031% HG3 LYS+ 113 - HB2 LEU 67 9.091% * 0.0200% (0.17 1.0 1.00 0.02 0.02) = 0.020% HG3 LYS+ 55 - HB2 LEU 67 9.091% * 0.0156% (0.13 1.0 1.00 0.02 0.02) = 0.016% HG3 ARG+ 22 - HB2 LEU 67 9.091% * 0.0156% (0.13 1.0 1.00 0.02 0.70) = 0.016% Peak 1365 (1.21, 1.47, 46.80 ppm): 3 chemical-shift based assignments, quality = 0.889, support = 4.39, residual support = 114.8: * O T HB2 LEU 67 - HB3 LEU 67 33.333% * 99.8366% (0.89 10.0 10.00 4.40 114.96) = 99.837% kept HB3 ARG+ 22 - HB3 LEU 67 33.333% * 0.0947% (0.84 1.0 1.00 0.02 0.70) = 0.095% HG12 ILE 100 - HB3 LEU 67 33.333% * 0.0687% (0.61 1.0 1.00 0.02 8.63) = 0.069% Peak 1366 (1.21, 1.21, 46.81 ppm): 1 diagonal assignment: * HB2 LEU 67 - HB2 LEU 67 (0.89) kept Peak 1367 (0.85, 1.21, 46.82 ppm): 8 chemical-shift based assignments, quality = 0.813, support = 0.415, residual support = 0.163: QG2 VAL 13 - HB2 LEU 67 12.500% * 87.0244% (0.86 0.47 0.02) = 87.024% kept HG2 LYS+ 117 - HB2 LEU 67 12.500% * 3.0969% (0.73 0.02 0.02) = 3.097% kept QD1 ILE 29 - HB2 LEU 67 12.500% * 2.2488% (0.53 0.02 0.02) = 2.249% kept QG1 VAL 13 - HB2 LEU 67 12.500% * 2.2488% (0.53 0.02 0.02) = 2.249% kept QD1 LEU 90 - HB2 LEU 67 12.500% * 1.8047% (0.42 0.02 0.02) = 1.805% kept QG2 ILE 100 - HB2 LEU 67 12.500% * 1.6623% (0.39 0.02 8.63) = 1.662% kept QG1 VAL 94 - HB2 LEU 67 12.500% * 1.2647% (0.30 0.02 0.02) = 1.265% kept QD2 LEU 17 - HB2 LEU 67 12.500% * 0.6493% (0.15 0.02 0.02) = 0.649% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1368 (0.80, 1.47, 46.84 ppm): 5 chemical-shift based assignments, quality = 0.72, support = 3.95, residual support = 110.1: * O T QD2 LEU 67 - HB3 LEU 67 20.000% * 95.5365% (0.72 10.0 10.00 4.11 114.96) = 95.536% kept QD1 ILE 100 - HB3 LEU 67 20.000% * 3.3345% (0.77 1.0 1.00 0.66 8.63) = 3.334% kept QD2 LEU 17 - HB3 LEU 67 20.000% * 1.0316% (0.41 1.0 1.00 0.38 0.02) = 1.032% kept QD2 LEU 90 - HB3 LEU 67 20.000% * 0.0668% (0.51 1.0 1.00 0.02 0.02) = 0.067% QG1 VAL 94 - HB3 LEU 67 20.000% * 0.0306% (0.23 1.0 1.00 0.02 0.02) = 0.031% Peak 1371 (4.14, 3.46, 45.43 ppm): 9 chemical-shift based assignments, quality = 0.253, support = 1.99, residual support = 15.2: * O T HA2 GLY 71 - HA1 GLY 71 11.111% * 99.4995% (0.25 10.0 10.00 2.00 15.29) = 99.499% kept HB3 SER 49 - HA1 GLY 71 11.111% * 0.0986% (0.25 1.0 1.00 0.02 0.02) = 0.099% HA LYS+ 110 - HA1 GLY 71 11.111% * 0.0977% (0.25 1.0 1.00 0.02 0.02) = 0.098% HB2 SER 88 - HA1 GLY 71 11.111% * 0.0943% (0.24 1.0 1.00 0.02 0.02) = 0.094% HA ARG+ 53 - HA1 GLY 71 11.111% * 0.0799% (0.20 1.0 1.00 0.02 0.02) = 0.080% HA VAL 87 - HA1 GLY 71 11.111% * 0.0605% (0.15 1.0 1.00 0.02 0.02) = 0.060% HB THR 106 - HA1 GLY 71 11.111% * 0.0249% (0.06 1.0 1.00 0.02 0.02) = 0.025% HA VAL 105 - HA1 GLY 71 11.111% * 0.0249% (0.06 1.0 1.00 0.02 0.02) = 0.025% HA THR 46 - HA1 GLY 71 11.111% * 0.0197% (0.05 1.0 1.00 0.02 0.02) = 0.020% Peak 1372 (3.46, 4.14, 45.43 ppm): 6 chemical-shift based assignments, quality = 0.268, support = 1.99, residual support = 15.2: * O T HA1 GLY 71 - HA2 GLY 71 16.667% * 99.6942% (0.27 10.0 10.00 2.00 15.29) = 99.694% kept HD3 PRO 31 - HA2 GLY 71 16.667% * 0.0997% (0.27 1.0 1.00 0.02 0.02) = 0.100% HA VAL 80 - HA2 GLY 71 16.667% * 0.0805% (0.22 1.0 1.00 0.02 0.02) = 0.081% HA VAL 40 - HA2 GLY 71 16.667% * 0.0769% (0.21 1.0 1.00 0.02 0.02) = 0.077% HA VAL 62 - HA2 GLY 71 16.667% * 0.0310% (0.08 1.0 1.00 0.02 0.24) = 0.031% HA1 GLY 30 - HA2 GLY 71 16.667% * 0.0176% (0.05 1.0 1.00 0.02 0.02) = 0.018% Peak 1374 (8.99, 1.74, 45.39 ppm): 2 chemical-shift based assignments, quality = 0.461, support = 2.65, residual support = 11.8: HN ILE 19 - HB2 LEU 17 50.000% * 84.7413% (0.51 2.89 13.75) = 84.741% kept HN MET 97 - HB2 LEU 17 50.000% * 15.2587% (0.20 1.32 0.94) = 15.259% kept Reference assignment not found: HN LEU 17 - HB2 LEU 17 Peak 1375 (8.99, 1.35, 45.37 ppm): 2 chemical-shift based assignments, quality = 0.481, support = 2.6, residual support = 11.4: HN ILE 19 - HB3 LEU 17 50.000% * 81.7027% (0.54 2.83 13.75) = 81.703% kept HN MET 97 - HB3 LEU 17 50.000% * 18.2973% (0.21 1.61 0.94) = 18.297% kept Reference assignment not found: HN LEU 17 - HB3 LEU 17 Peak 1376 (8.46, 3.98, 45.56 ppm): 14 chemical-shift based assignments, quality = 0.476, support = 1.7, residual support = 7.53: * O HN GLY 92 - HA1 GLY 92 7.143% * 98.1301% (0.48 10.0 1.73 7.67) = 98.130% kept HN GLU- 18 - HA1 GLY 92 7.143% * 1.4500% (0.23 1.0 0.54 0.02) = 1.450% kept HN GLU- 107 - HA1 GLY 92 7.143% * 0.1298% (0.55 1.0 0.02 0.02) = 0.130% HN LEU 74 - HA1 GLY 92 7.143% * 0.0951% (0.40 1.0 0.02 0.25) = 0.095% HN LYS+ 113 - HA1 GLY 92 7.143% * 0.0689% (0.29 1.0 0.02 0.02) = 0.069% HN GLU- 10 - HA1 GLY 92 7.143% * 0.0326% (0.14 1.0 0.02 0.02) = 0.033% HN GLU- 107 - HA1 GLY 114 7.143% * 0.0193% (0.08 1.0 0.02 0.02) = 0.019% HN ARG+ 53 - HA1 GLY 92 7.143% * 0.0177% (0.08 1.0 0.02 0.02) = 0.018% HN GLY 92 - HA1 GLY 114 7.143% * 0.0169% (0.07 1.0 0.02 0.02) = 0.017% HN LEU 74 - HA1 GLY 114 7.143% * 0.0141% (0.06 1.0 0.02 0.02) = 0.014% HN LYS+ 113 - HA1 GLY 114 7.143% * 0.0102% (0.04 1.0 0.02 0.02) = 0.010% HN GLU- 18 - HA1 GLY 114 7.143% * 0.0080% (0.03 1.0 0.02 0.02) = 0.008% HN GLU- 10 - HA1 GLY 114 7.143% * 0.0048% (0.02 1.0 0.02 0.02) = 0.005% HN ARG+ 53 - HA1 GLY 114 7.143% * 0.0026% (0.01 1.0 0.02 0.02) = 0.003% Peak 1377 (8.39, 4.13, 45.43 ppm): 2 chemical-shift based assignments, quality = 0.128, support = 3.09, residual support = 15.3: * O HN GLY 71 - HA2 GLY 71 50.000% * 99.9543% (0.13 10.0 3.09 15.29) = 99.954% kept HN LYS+ 108 - HA2 GLY 71 50.000% * 0.0457% (0.06 1.0 0.02 0.02) = 0.046% Peak 1378 (8.38, 3.46, 45.56 ppm): 3 chemical-shift based assignments, quality = 0.352, support = 3.11, residual support = 15.3: * O HN GLY 71 - HA1 GLY 71 33.333% * 99.9269% (0.35 10.0 3.11 15.29) = 99.927% kept HN LYS+ 108 - HA1 GLY 71 33.333% * 0.0509% (0.18 1.0 0.02 0.02) = 0.051% HN ALA 103 - HA1 GLY 71 33.333% * 0.0223% (0.08 1.0 0.02 0.02) = 0.022% Peak 1379 (8.30, 2.39, 45.43 ppm): 6 chemical-shift based assignments, quality = 0.714, support = 3.65, residual support = 36.5: * O HN ASP- 28 - HB3 ASP- 28 16.667% * 96.4419% (0.71 10.0 3.77 37.87) = 96.442% kept HN ALA 91 - HB3 ASP- 28 16.667% * 2.8582% (0.98 1.0 0.43 0.02) = 2.858% kept HN VAL 99 - HB3 ASP- 28 16.667% * 0.5840% (0.63 1.0 0.14 0.44) = 0.584% HN ASN 89 - HB3 ASP- 28 16.667% * 0.0453% (0.33 1.0 0.02 0.02) = 0.045% HN ASN 76 - HB3 ASP- 28 16.667% * 0.0410% (0.30 1.0 0.02 0.02) = 0.041% HN GLY 114 - HB3 ASP- 28 16.667% * 0.0296% (0.22 1.0 0.02 0.02) = 0.030% Peak 1380 (8.14, 4.36, 45.48 ppm): 4 chemical-shift based assignments, quality = 0.151, support = 2.52, residual support = 13.4: * O HN GLY 26 - HA2 GLY 26 25.000% * 98.7334% (0.15 10.0 2.55 13.55) = 98.733% kept HN SER 41 - HA2 GLY 26 25.000% * 1.0232% (0.10 1.0 0.31 0.02) = 1.023% kept HN SER 77 - HA2 GLY 26 25.000% * 0.1835% (0.28 1.0 0.02 0.02) = 0.184% HN SER 88 - HA2 GLY 26 25.000% * 0.0599% (0.09 1.0 0.02 0.02) = 0.060% Peak 1381 (8.13, 3.53, 45.30 ppm): 3 chemical-shift based assignments, quality = 0.598, support = 2.44, residual support = 13.5: * O HN GLY 26 - HA1 GLY 26 33.333% * 99.8585% (0.60 10.0 2.44 13.55) = 99.858% kept HN SER 88 - HA1 GLY 26 33.333% * 0.0708% (0.42 1.0 0.02 0.02) = 0.071% HN SER 77 - HA1 GLY 26 33.333% * 0.0708% (0.42 1.0 0.02 0.02) = 0.071% Peak 1382 (5.98, 2.38, 45.39 ppm): 1 chemical-shift based assignment, quality = 0.817, support = 3.45, residual support = 37.9: * O T HA ASP- 28 - HB3 ASP- 28 100.000% *100.0000% (0.82 10.0 10.00 3.45 37.87) = 100.000% kept Peak 1383 (5.98, 2.13, 45.42 ppm): 1 chemical-shift based assignment, quality = 0.889, support = 3.0, residual support = 37.9: * O T HA ASP- 28 - HB2 ASP- 28 100.000% *100.0000% (0.89 10.0 10.00 3.00 37.87) = 100.000% kept Peak 1384 (4.55, 1.75, 45.36 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 5.07, residual support = 88.3: * O HA LEU 17 - HB2 LEU 17 25.000% * 99.8802% (0.99 10.0 5.08 88.43) = 99.880% kept HA ALA 103 - HB2 LEU 17 25.000% * 0.0765% (0.76 1.0 0.02 0.02) = 0.077% HA LYS+ 78 - HB2 LEU 17 25.000% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HB THR 46 - HB2 LEU 17 25.000% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 1385 (4.55, 1.35, 45.38 ppm): 4 chemical-shift based assignments, quality = 0.834, support = 5.1, residual support = 87.6: * O HA LEU 17 - HB3 LEU 17 25.000% * 99.0870% (0.84 10.0 5.15 88.43) = 99.087% kept HA LYS+ 78 - HB3 LEU 17 25.000% * 0.8464% (0.53 1.0 0.27 0.02) = 0.846% HA ALA 103 - HB3 LEU 17 25.000% * 0.0495% (0.42 1.0 0.02 0.02) = 0.050% HA LYS+ 72 - HB3 LEU 17 25.000% * 0.0170% (0.14 1.0 0.02 0.02) = 0.017% Peak 1386 (4.36, 4.36, 45.30 ppm): 1 diagonal assignment: * HA2 GLY 26 - HA2 GLY 26 (0.82) kept Peak 1387 (4.13, 4.13, 45.48 ppm): 1 diagonal assignment: * HA2 GLY 71 - HA2 GLY 71 (0.38) kept Peak 1388 (3.84, 3.83, 45.44 ppm): 2 diagonal assignments: * HA2 GLY 92 - HA2 GLY 92 (0.18) kept HA2 GLY 114 - HA2 GLY 114 (0.06) kept Peak 1389 (3.54, 4.36, 45.29 ppm): 3 chemical-shift based assignments, quality = 0.886, support = 1.93, residual support = 13.5: * O T HA1 GLY 26 - HA2 GLY 26 33.333% * 99.8580% (0.89 10.0 10.00 1.93 13.55) = 99.858% kept HA LYS+ 44 - HA2 GLY 26 33.333% * 0.0930% (0.83 1.0 1.00 0.02 0.02) = 0.093% HB2 SER 69 - HA2 GLY 26 33.333% * 0.0490% (0.44 1.0 1.00 0.02 0.02) = 0.049% Peak 1390 (3.47, 3.46, 45.57 ppm): 1 diagonal assignment: * HA1 GLY 71 - HA1 GLY 71 (0.62) kept Peak 1391 (2.38, 2.38, 45.42 ppm): 1 diagonal assignment: * HB3 ASP- 28 - HB3 ASP- 28 (0.83) kept Peak 1392 (2.38, 2.13, 45.42 ppm): 6 chemical-shift based assignments, quality = 0.842, support = 2.42, residual support = 24.4: * O T HB3 ASP- 28 - HB2 ASP- 28 16.667% * 64.3406% (0.87 10.0 10.00 3.42 37.87) = 64.341% kept T HG2 PRO 112 - HB2 ASP- 28 16.667% * 18.4736% (0.67 1.0 10.00 0.74 0.02) = 18.474% kept T HB2 LYS+ 78 - HB2 ASP- 28 16.667% * 17.0937% (0.94 1.0 10.00 0.49 0.47) = 17.094% kept HB3 GLU- 50 - HB2 ASP- 28 16.667% * 0.0605% (0.81 1.0 1.00 0.02 0.02) = 0.060% HG3 GLU- 50 - HB2 ASP- 28 16.667% * 0.0194% (0.26 1.0 1.00 0.02 0.02) = 0.019% HB2 GLU- 64 - HB2 ASP- 28 16.667% * 0.0122% (0.16 1.0 1.00 0.02 0.02) = 0.012% Peak 1393 (2.13, 2.38, 45.41 ppm): 11 chemical-shift based assignments, quality = 0.914, support = 3.27, residual support = 35.9: * O T HB2 ASP- 28 - HB3 ASP- 28 9.091% * 94.6699% (0.93 10.0 10.00 3.42 37.87) = 94.670% kept HG2 PRO 112 - HB3 ASP- 28 9.091% * 4.0679% (0.85 1.0 1.00 0.94 0.02) = 4.068% kept HB3 LYS+ 78 - HB3 ASP- 28 9.091% * 0.8425% (0.61 1.0 1.00 0.27 0.47) = 0.842% HG2 GLU- 45 - HB3 ASP- 28 9.091% * 0.0882% (0.87 1.0 1.00 0.02 0.02) = 0.088% HB3 GLU- 75 - HB3 ASP- 28 9.091% * 0.0759% (0.74 1.0 1.00 0.02 0.02) = 0.076% HB VAL 105 - HB3 ASP- 28 9.091% * 0.0730% (0.72 1.0 1.00 0.02 0.02) = 0.073% HB2 GLU- 56 - HB3 ASP- 28 9.091% * 0.0503% (0.49 1.0 1.00 0.02 0.02) = 0.050% HB VAL 87 - HB3 ASP- 28 9.091% * 0.0465% (0.46 1.0 1.00 0.02 0.02) = 0.046% HB VAL 47 - HB3 ASP- 28 9.091% * 0.0465% (0.46 1.0 1.00 0.02 0.02) = 0.046% HB3 LEU 43 - HB3 ASP- 28 9.091% * 0.0266% (0.26 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 104 - HB3 ASP- 28 9.091% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 1394 (2.13, 2.13, 45.41 ppm): 1 diagonal assignment: * HB2 ASP- 28 - HB2 ASP- 28 (0.91) kept Peak 1395 (1.75, 1.75, 45.38 ppm): 1 diagonal assignment: * HB2 LEU 17 - HB2 LEU 17 (0.99) kept Peak 1396 (1.75, 1.36, 45.38 ppm): 8 chemical-shift based assignments, quality = 0.906, support = 5.59, residual support = 83.8: * O T HB2 LEU 17 - HB3 LEU 17 12.500% * 92.6423% (0.95 10.0 10.00 5.77 88.43) = 92.642% kept HB3 GLU- 18 - HB3 LEU 17 12.500% * 5.5897% (0.27 1.0 1.00 4.25 33.06) = 5.590% kept HB3 LEU 23 - HB3 LEU 17 12.500% * 1.4685% (0.91 1.0 1.00 0.33 0.13) = 1.468% kept HB2 LYS+ 117 - HB3 LEU 17 12.500% * 0.0912% (0.93 1.0 1.00 0.02 0.02) = 0.091% HD3 PRO 59 - HB3 LEU 17 12.500% * 0.0848% (0.87 1.0 1.00 0.02 0.02) = 0.085% HB ILE 48 - HB3 LEU 17 12.500% * 0.0789% (0.81 1.0 1.00 0.02 0.02) = 0.079% HG2 ARG+ 84 - HB3 LEU 17 12.500% * 0.0236% (0.24 1.0 1.00 0.02 1.73) = 0.024% HB2 ARG+ 84 - HB3 LEU 17 12.500% * 0.0210% (0.22 1.0 1.00 0.02 1.73) = 0.021% Peak 1397 (1.59, 1.75, 45.36 ppm): 10 chemical-shift based assignments, quality = 0.521, support = 4.25, residual support = 73.5: * O HG LEU 17 - HB2 LEU 17 10.000% * 81.3830% (0.49 10.0 4.82 88.43) = 81.383% kept HB ILE 19 - HB2 LEU 17 10.000% * 11.1019% (0.53 1.0 2.52 13.75) = 11.102% kept HB3 LYS+ 32 - HB2 LEU 17 10.000% * 5.8404% (1.00 1.0 0.70 0.59) = 5.840% kept HD3 LYS+ 32 - HB2 LEU 17 10.000% * 1.3590% (0.65 1.0 0.25 0.59) = 1.359% kept HB3 PRO 52 - HB2 LEU 17 10.000% * 0.0814% (0.49 1.0 0.02 2.64) = 0.081% HD3 LYS+ 60 - HB2 LEU 17 10.000% * 0.0687% (0.41 1.0 0.02 0.02) = 0.069% HD3 LYS+ 81 - HB2 LEU 17 10.000% * 0.0570% (0.34 1.0 0.02 0.02) = 0.057% HG2 LYS+ 110 - HB2 LEU 17 10.000% * 0.0570% (0.34 1.0 0.02 0.02) = 0.057% HG12 ILE 29 - HB2 LEU 17 10.000% * 0.0258% (0.15 1.0 0.02 17.08) = 0.026% QB ALA 42 - HB2 LEU 17 10.000% * 0.0258% (0.15 1.0 0.02 0.02) = 0.026% Peak 1398 (1.58, 1.36, 45.39 ppm): 12 chemical-shift based assignments, quality = 0.742, support = 4.56, residual support = 78.3: * O HG LEU 17 - HB3 LEU 17 8.333% * 86.7888% (0.75 10.0 4.94 88.43) = 86.789% kept HB ILE 19 - HB3 LEU 17 8.333% * 11.0306% (0.79 1.0 2.43 13.75) = 11.031% kept HB3 LEU 90 - HB3 LEU 17 8.333% * 1.3376% (0.27 1.0 0.85 0.17) = 1.338% kept QB ALA 42 - HB3 LEU 17 8.333% * 0.4480% (0.34 1.0 0.23 0.02) = 0.448% HB3 LYS+ 32 - HB3 LEU 17 8.333% * 0.0985% (0.85 1.0 0.02 0.59) = 0.099% HD3 LYS+ 60 - HB3 LEU 17 8.333% * 0.0780% (0.67 1.0 0.02 0.02) = 0.078% HD3 LYS+ 81 - HB3 LEU 17 8.333% * 0.0689% (0.60 1.0 0.02 0.02) = 0.069% HD3 LYS+ 32 - HB3 LEU 17 8.333% * 0.0426% (0.37 1.0 0.02 0.59) = 0.043% HG12 ILE 29 - HB3 LEU 17 8.333% * 0.0387% (0.34 1.0 0.02 17.08) = 0.039% HB3 PRO 52 - HB3 LEU 17 8.333% * 0.0283% (0.24 1.0 0.02 2.64) = 0.028% HG13 ILE 29 - HB3 LEU 17 8.333% * 0.0225% (0.19 1.0 0.02 17.08) = 0.022% HG2 LYS+ 110 - HB3 LEU 17 8.333% * 0.0175% (0.15 1.0 0.02 0.02) = 0.018% Peak 1399 (1.36, 1.75, 45.38 ppm): 7 chemical-shift based assignments, quality = 0.977, support = 5.51, residual support = 83.5: * O T HB3 LEU 17 - HB2 LEU 17 14.286% * 94.4010% (0.98 10.0 10.00 5.77 88.43) = 94.401% kept HB3 LYS+ 20 - HB2 LEU 17 14.286% * 5.2780% (0.95 1.0 1.00 1.16 1.08) = 5.278% kept HG3 LYS+ 81 - HB2 LEU 17 14.286% * 0.0913% (0.95 1.0 1.00 0.02 0.02) = 0.091% QB ALA 11 - HB2 LEU 17 14.286% * 0.0895% (0.93 1.0 1.00 0.02 0.02) = 0.089% HG2 LYS+ 78 - HB2 LEU 17 14.286% * 0.0650% (0.68 1.0 1.00 0.02 0.02) = 0.065% QG2 THR 39 - HB2 LEU 17 14.286% * 0.0461% (0.48 1.0 1.00 0.02 0.02) = 0.046% HG13 ILE 68 - HB2 LEU 17 14.286% * 0.0292% (0.30 1.0 1.00 0.02 0.02) = 0.029% Peak 1400 (1.36, 1.36, 45.38 ppm): 1 diagonal assignment: * HB3 LEU 17 - HB3 LEU 17 (0.96) kept Peak 1401 (0.93, 1.75, 45.38 ppm): 15 chemical-shift based assignments, quality = 0.908, support = 4.3, residual support = 87.6: * O QD1 LEU 17 - HB2 LEU 17 6.667% * 99.0245% (0.92 10.0 4.34 88.43) = 99.025% kept QG2 VAL 62 - HB2 LEU 17 6.667% * 0.2508% (0.56 1.0 0.08 0.02) = 0.251% HG12 ILE 68 - HB2 LEU 17 6.667% * 0.1063% (0.98 1.0 0.02 0.02) = 0.106% HG3 LYS+ 110 - HB2 LEU 17 6.667% * 0.1035% (0.96 1.0 0.02 0.02) = 0.104% QG2 VAL 105 - HB2 LEU 17 6.667% * 0.1015% (0.94 1.0 0.02 0.02) = 0.101% QG2 VAL 80 - HB2 LEU 17 6.667% * 0.0962% (0.89 1.0 0.02 0.02) = 0.096% QG1 VAL 105 - HB2 LEU 17 6.667% * 0.0962% (0.89 1.0 0.02 0.02) = 0.096% QG2 VAL 73 - HB2 LEU 17 6.667% * 0.0481% (0.45 1.0 0.02 0.02) = 0.048% QG2 ILE 29 - HB2 LEU 17 6.667% * 0.0441% (0.41 1.0 0.02 17.08) = 0.044% HG3 LYS+ 117 - HB2 LEU 17 6.667% * 0.0331% (0.31 1.0 0.02 0.02) = 0.033% QD1 LEU 67 - HB2 LEU 17 6.667% * 0.0267% (0.25 1.0 0.02 0.02) = 0.027% QG1 VAL 47 - HB2 LEU 17 6.667% * 0.0212% (0.20 1.0 0.02 0.02) = 0.021% QG2 VAL 87 - HB2 LEU 17 6.667% * 0.0166% (0.15 1.0 0.02 0.02) = 0.017% QG2 VAL 40 - HB2 LEU 17 6.667% * 0.0166% (0.15 1.0 0.02 0.02) = 0.017% QG2 VAL 99 - HB2 LEU 17 6.667% * 0.0145% (0.13 1.0 0.02 0.32) = 0.015% Peak 1402 (0.93, 1.36, 45.37 ppm): 13 chemical-shift based assignments, quality = 0.887, support = 4.39, residual support = 84.7: * O QD1 LEU 17 - HB3 LEU 17 7.692% * 95.1305% (0.92 10.0 4.55 88.43) = 95.130% kept QG2 ILE 29 - HB3 LEU 17 7.692% * 3.6391% (0.43 1.0 1.61 17.08) = 3.639% kept QG2 VAL 62 - HB3 LEU 17 7.692% * 0.6272% (0.59 1.0 0.21 0.02) = 0.627% HG12 ILE 68 - HB3 LEU 17 7.692% * 0.0986% (0.95 1.0 0.02 0.02) = 0.099% QG2 VAL 105 - HB3 LEU 17 7.692% * 0.0971% (0.93 1.0 0.02 0.02) = 0.097% HG3 LYS+ 110 - HB3 LEU 17 7.692% * 0.0951% (0.92 1.0 0.02 0.02) = 0.095% QG1 VAL 105 - HB3 LEU 17 7.692% * 0.0928% (0.89 1.0 0.02 0.02) = 0.093% QG2 VAL 80 - HB3 LEU 17 7.692% * 0.0872% (0.84 1.0 0.02 0.02) = 0.087% QG2 VAL 73 - HB3 LEU 17 7.692% * 0.0490% (0.47 1.0 0.02 0.02) = 0.049% HG3 LYS+ 117 - HB3 LEU 17 7.692% * 0.0280% (0.27 1.0 0.02 0.02) = 0.028% QD1 LEU 67 - HB3 LEU 17 7.692% * 0.0224% (0.22 1.0 0.02 0.02) = 0.022% QG1 VAL 47 - HB3 LEU 17 7.692% * 0.0176% (0.17 1.0 0.02 0.02) = 0.018% QG2 VAL 99 - HB3 LEU 17 7.692% * 0.0155% (0.15 1.0 0.02 0.32) = 0.016% Peak 1403 (0.84, 1.75, 45.37 ppm): 9 chemical-shift based assignments, quality = 0.399, support = 4.37, residual support = 77.9: * O QD2 LEU 17 - HB2 LEU 17 11.111% * 87.0589% (0.37 10.0 4.91 88.43) = 87.059% kept QG1 VAL 94 - HB2 LEU 17 11.111% * 8.0166% (0.61 1.0 1.14 7.18) = 8.017% kept QD1 ILE 29 - HB2 LEU 17 11.111% * 1.7126% (0.87 1.0 0.17 17.08) = 1.713% kept QG1 VAL 13 - HB2 LEU 17 11.111% * 1.0612% (0.87 1.0 0.11 0.02) = 1.061% kept QG2 VAL 13 - HB2 LEU 17 11.111% * 0.9891% (0.94 1.0 0.09 0.02) = 0.989% HG2 LYS+ 117 - HB2 LEU 17 11.111% * 0.9876% (0.99 1.0 0.09 0.02) = 0.988% QD2 LEU 90 - HB2 LEU 17 11.111% * 0.0645% (0.28 1.0 0.02 0.17) = 0.064% QD1 LEU 90 - HB2 LEU 17 11.111% * 0.0578% (0.25 1.0 0.02 0.17) = 0.058% QG2 ILE 100 - HB2 LEU 17 11.111% * 0.0516% (0.22 1.0 0.02 0.02) = 0.052% Peak 1404 (4.36, 3.53, 45.27 ppm): 8 chemical-shift based assignments, quality = 0.88, support = 1.95, residual support = 13.1: * O T HA2 GLY 26 - HA1 GLY 26 12.500% * 93.4834% (0.91 10.0 10.00 1.93 13.55) = 93.483% kept HA SER 27 - HA1 GLY 26 12.500% * 6.1739% (0.52 1.0 1.00 2.31 6.98) = 6.174% kept HB THR 61 - HA1 GLY 26 12.500% * 0.0892% (0.87 1.0 1.00 0.02 0.02) = 0.089% HA TRP 51 - HA1 GLY 26 12.500% * 0.0721% (0.70 1.0 1.00 0.02 0.02) = 0.072% HA LYS+ 60 - HA1 GLY 26 12.500% * 0.0685% (0.66 1.0 1.00 0.02 0.02) = 0.068% HA ALA 37 - HA1 GLY 26 12.500% * 0.0572% (0.55 1.0 1.00 0.02 0.02) = 0.057% HA ALA 91 - HA1 GLY 26 12.500% * 0.0322% (0.31 1.0 1.00 0.02 0.02) = 0.032% HA SER 88 - HA1 GLY 26 12.500% * 0.0235% (0.23 1.0 1.00 0.02 0.02) = 0.024% Peak 1405 (3.91, 3.93, 45.15 ppm): 5 chemical-shift based assignments, quality = 0.418, support = 0.432, residual support = 0.318: HB2 SER 77 - HA1 GLY 114 20.000% * 47.0694% (0.65 1.00 0.28 0.32) = 47.069% kept HD2 PRO 116 - HA1 GLY 114 20.000% * 33.5414% (0.15 1.00 0.89 0.48) = 33.541% kept T HB THR 96 - HA1 GLY 114 20.000% * 17.8516% (0.34 10.00 0.02 0.02) = 17.852% kept HD2 PRO 86 - HA1 GLY 114 20.000% * 0.9434% (0.18 1.00 0.02 0.02) = 0.943% HD3 PRO 35 - HA1 GLY 114 20.000% * 0.5942% (0.11 1.00 0.02 0.02) = 0.594% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1406 (3.91, 3.88, 45.18 ppm): 4 chemical-shift based assignments, quality = 0.22, support = 0.905, residual support = 0.346: T HD2 PRO 116 - HA2 GLY 114 25.000% * 54.8369% (0.09 10.00 1.19 0.48) = 54.837% kept HB2 SER 77 - HA2 GLY 114 25.000% * 24.1797% (0.56 1.00 0.82 0.32) = 24.180% kept T HD2 PRO 86 - HA2 GLY 114 25.000% * 15.6697% (0.11 10.00 0.26 0.02) = 15.670% kept HB THR 96 - HA2 GLY 114 25.000% * 5.3137% (0.37 1.00 0.27 0.02) = 5.314% kept Peak 1409 (4.06, 4.02, 44.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1410 (4.05, 4.10, 44.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1418 (1.76, 3.28, 43.49 ppm): 22 chemical-shift based assignments, quality = 0.374, support = 1.34, residual support = 28.2: * O T HG3 ARG+ 53 - HD3 ARG+ 53 4.545% * 62.0691% (0.37 10.0 10.00 1.79 38.76) = 62.069% kept O HG3 LYS+ 63 - HE3 LYS+ 63 4.545% * 18.1860% (0.22 10.0 1.00 1.00 22.47) = 18.186% kept T HG2 ARG+ 84 - HD3 ARG+ 53 4.545% * 14.2587% (0.61 1.0 10.00 0.28 0.02) = 14.259% kept HB3 LEU 23 - HD3 ARG+ 53 4.545% * 2.5525% (0.61 1.0 1.00 0.51 0.20) = 2.552% kept T HG2 ARG+ 84 - HE3 LYS+ 63 4.545% * 0.8847% (0.53 1.0 10.00 0.02 0.02) = 0.885% T HG3 ARG+ 53 - HE3 LYS+ 63 4.545% * 0.5474% (0.33 1.0 10.00 0.02 0.02) = 0.547% HD3 PRO 59 - HD3 ARG+ 53 4.545% * 0.1621% (0.98 1.0 1.00 0.02 0.02) = 0.162% HB2 LEU 17 - HD3 ARG+ 53 4.545% * 0.1483% (0.90 1.0 1.00 0.02 0.02) = 0.148% HD3 PRO 59 - HE3 LYS+ 63 4.545% * 0.1430% (0.86 1.0 1.00 0.02 0.02) = 0.143% HB2 LEU 17 - HE3 LYS+ 63 4.545% * 0.1308% (0.79 1.0 1.00 0.02 0.02) = 0.131% HB2 LYS+ 117 - HD3 ARG+ 53 4.545% * 0.1070% (0.65 1.0 1.00 0.02 0.02) = 0.107% HB3 GLU- 18 - HD3 ARG+ 53 4.545% * 0.1070% (0.65 1.0 1.00 0.02 0.02) = 0.107% HB2 LYS+ 117 - HE3 LYS+ 63 4.545% * 0.0944% (0.57 1.0 1.00 0.02 0.73) = 0.094% HB3 GLU- 18 - HE3 LYS+ 63 4.545% * 0.0944% (0.57 1.0 1.00 0.02 0.02) = 0.094% HB2 ARG+ 84 - HD3 ARG+ 53 4.545% * 0.0936% (0.57 1.0 1.00 0.02 0.02) = 0.094% HB3 LEU 23 - HE3 LYS+ 63 4.545% * 0.0885% (0.53 1.0 1.00 0.02 0.02) = 0.088% HB2 ARG+ 84 - HE3 LYS+ 63 4.545% * 0.0826% (0.50 1.0 1.00 0.02 0.02) = 0.083% HB ILE 48 - HD3 ARG+ 53 4.545% * 0.0741% (0.45 1.0 1.00 0.02 0.02) = 0.074% HB ILE 48 - HE3 LYS+ 63 4.545% * 0.0654% (0.39 1.0 1.00 0.02 0.02) = 0.065% HG3 LYS+ 63 - HD3 ARG+ 53 4.545% * 0.0412% (0.25 1.0 1.00 0.02 0.02) = 0.041% HG2 PRO 31 - HD3 ARG+ 53 4.545% * 0.0368% (0.22 1.0 1.00 0.02 0.02) = 0.037% HG2 PRO 31 - HE3 LYS+ 63 4.545% * 0.0325% (0.20 1.0 1.00 0.02 0.02) = 0.032% Peak 1419 (0.93, 3.17, 43.84 ppm): 14 chemical-shift based assignments, quality = 0.635, support = 0.799, residual support = 0.738: * QD1 LEU 17 - HD3 ARG+ 84 7.143% * 30.2668% (0.76 0.95 1.73) = 30.267% kept HG12 ILE 68 - HD3 ARG+ 84 7.143% * 28.5680% (0.85 0.81 0.39) = 28.568% kept QG2 VAL 80 - HD3 ARG+ 84 7.143% * 14.2656% (0.78 0.44 0.02) = 14.266% kept QD1 LEU 67 - HD3 ARG+ 84 7.143% * 12.7329% (0.24 1.30 0.78) = 12.733% kept QG2 VAL 40 - HD3 ARG+ 84 7.143% * 4.4165% (0.15 0.71 0.02) = 4.416% kept HG3 LYS+ 117 - HD3 ARG+ 84 7.143% * 3.3209% (0.29 0.28 0.02) = 3.321% kept QG1 VAL 47 - HD3 ARG+ 84 7.143% * 2.8975% (0.19 0.37 0.02) = 2.898% kept HG3 LYS+ 110 - HD3 ARG+ 84 7.143% * 0.6930% (0.83 0.02 0.02) = 0.693% QG2 VAL 105 - HD3 ARG+ 84 7.143% * 0.6526% (0.78 0.02 0.02) = 0.653% QG2 VAL 87 - HD3 ARG+ 84 7.143% * 0.6452% (0.15 0.10 0.02) = 0.645% QG1 VAL 105 - HD3 ARG+ 84 7.143% * 0.6132% (0.73 0.02 0.02) = 0.613% QG2 VAL 62 - HD3 ARG+ 84 7.143% * 0.3719% (0.45 0.02 0.02) = 0.372% QG2 VAL 73 - HD3 ARG+ 84 7.143% * 0.2906% (0.35 0.02 0.02) = 0.291% QG2 ILE 29 - HD3 ARG+ 84 7.143% * 0.2653% (0.32 0.02 0.02) = 0.265% Peak 1423 (3.77, 3.77, 43.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1432 (3.28, 3.28, 43.41 ppm): 2 diagonal assignments: * HE3 LYS+ 63 - HE3 LYS+ 63 (0.99) kept HD3 ARG+ 53 - HD3 ARG+ 53 (0.89) kept Peak 1438 (3.28, 3.28, 43.49 ppm): 2 diagonal assignments: * HD3 ARG+ 53 - HD3 ARG+ 53 (1.00) kept HE3 LYS+ 63 - HE3 LYS+ 63 (0.82) kept Peak 1443 (0.75, 2.64, 43.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1444 (0.74, 2.46, 43.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1450 (9.04, 3.48, 42.73 ppm): 2 chemical-shift based assignments, quality = 0.714, support = 2.12, residual support = 8.22: * O HN GLY 30 - HA1 GLY 30 50.000% * 99.8927% (0.72 10.0 2.13 8.23) = 99.893% kept HN THR 79 - HA1 GLY 30 50.000% * 0.1073% (0.77 1.0 0.02 0.20) = 0.107% Peak 1451 (8.25, 2.79, 42.86 ppm): 8 chemical-shift based assignments, quality = 0.388, support = 3.01, residual support = 18.1: O HN GLY 58 - HA2 GLY 58 12.500% * 99.0678% (0.39 10.0 3.04 18.23) = 99.068% kept HN THR 106 - HA2 GLY 58 12.500% * 0.2035% (0.80 1.0 0.02 0.02) = 0.204% HN ASP- 115 - HA2 GLY 58 12.500% * 0.2017% (0.80 1.0 0.02 0.02) = 0.202% HN GLU- 12 - HA2 GLY 58 12.500% * 0.1478% (0.58 1.0 0.02 0.02) = 0.148% HN LYS+ 81 - HA2 GLY 58 12.500% * 0.1234% (0.49 1.0 0.02 0.02) = 0.123% HN LEU 67 - HA2 GLY 58 12.500% * 0.1234% (0.49 1.0 0.02 0.02) = 0.123% HN SER 49 - HA2 GLY 58 12.500% * 0.0694% (0.27 1.0 0.02 0.02) = 0.069% HN ASN 89 - HA2 GLY 58 12.500% * 0.0628% (0.25 1.0 0.02 0.02) = 0.063% Reference assignment not found: HN GLY 58 - HA1 GLY 58 Peak 1452 (8.25, 2.22, 42.86 ppm): 8 chemical-shift based assignments, quality = 0.539, support = 3.35, residual support = 18.1: * O HN GLY 58 - HA1 GLY 58 12.500% * 99.1608% (0.54 10.0 3.38 18.23) = 99.161% kept HN THR 106 - HA1 GLY 58 12.500% * 0.1736% (0.95 1.0 0.02 0.02) = 0.174% HN ASP- 115 - HA1 GLY 58 12.500% * 0.1690% (0.93 1.0 0.02 0.02) = 0.169% HN GLU- 12 - HA1 GLY 58 12.500% * 0.1402% (0.77 1.0 0.02 0.02) = 0.140% HN LYS+ 81 - HA1 GLY 58 12.500% * 0.1203% (0.66 1.0 0.02 0.02) = 0.120% HN LEU 67 - HA1 GLY 58 12.500% * 0.1203% (0.66 1.0 0.02 0.02) = 0.120% HN SER 49 - HA1 GLY 58 12.500% * 0.0720% (0.39 1.0 0.02 0.02) = 0.072% HN ASN 89 - HA1 GLY 58 12.500% * 0.0437% (0.24 1.0 0.02 0.02) = 0.044% Peak 1454 (7.33, 2.60, 42.79 ppm): 6 chemical-shift based assignments, quality = 0.634, support = 3.01, residual support = 39.7: * O QD PHE 34 - HB2 PHE 34 16.667% * 71.6246% (0.58 10.0 3.28 41.03) = 71.625% kept QE PHE 34 - HB2 PHE 34 16.667% * 13.4600% (0.80 1.0 2.73 41.03) = 13.460% kept HZ PHE 34 - HB2 PHE 34 16.667% * 11.2670% (0.80 1.0 2.28 41.03) = 11.267% kept HN VAL 47 - HB2 PHE 34 16.667% * 3.4898% (0.52 1.0 1.09 4.08) = 3.490% kept HZ2 TRP 51 - HB2 PHE 34 16.667% * 0.0986% (0.80 1.0 0.02 0.02) = 0.099% HN ARG+ 84 - HB2 PHE 34 16.667% * 0.0598% (0.49 1.0 0.02 5.06) = 0.060% Peak 1455 (4.98, 3.48, 42.75 ppm): 5 chemical-shift based assignments, quality = 0.516, support = 2.89, residual support = 5.41: O HA PRO 31 - HA1 GLY 30 20.000% * 91.0526% (0.50 10.0 3.09 5.90) = 91.053% kept HA SER 69 - HA1 GLY 30 20.000% * 5.7051% (0.83 1.0 0.75 0.66) = 5.705% kept HA ILE 68 - HA1 GLY 30 20.000% * 3.0798% (0.43 1.0 0.79 0.02) = 3.080% kept HA MET 97 - HA1 GLY 30 20.000% * 0.1343% (0.74 1.0 0.02 0.02) = 0.134% HA HIS+ 98 - HA1 GLY 30 20.000% * 0.0282% (0.15 1.0 0.02 0.02) = 0.028% Peak 1456 (4.73, 3.48, 42.75 ppm): 5 chemical-shift based assignments, quality = 0.386, support = 2.36, residual support = 7.83: * O HA2 GLY 30 - HA1 GLY 30 20.000% * 95.1037% (0.37 10.0 2.46 8.23) = 95.104% kept HA LYS+ 20 - HA1 GLY 30 20.000% * 4.7311% (0.64 1.0 0.58 0.16) = 4.731% kept HA THR 39 - HA1 GLY 30 20.000% * 0.0796% (0.31 1.0 0.02 0.02) = 0.080% HA THR 61 - HA1 GLY 30 20.000% * 0.0529% (0.21 1.0 0.02 0.02) = 0.053% HA VAL 99 - HA1 GLY 30 20.000% * 0.0327% (0.13 1.0 0.02 0.02) = 0.033% Peak 1459 (2.80, 2.22, 42.87 ppm): 6 chemical-shift based assignments, quality = 0.826, support = 2.99, residual support = 18.2: * O T HA2 GLY 58 - HA1 GLY 58 16.667% * 99.6749% (0.83 10.0 10.00 3.00 18.23) = 99.675% kept HE3 LYS+ 32 - HA1 GLY 58 16.667% * 0.0968% (0.81 1.0 1.00 0.02 0.02) = 0.097% HE3 LYS+ 111 - HA1 GLY 58 16.667% * 0.0784% (0.65 1.0 1.00 0.02 0.02) = 0.078% HB2 ASN 119 - HA1 GLY 58 16.667% * 0.0699% (0.58 1.0 1.00 0.02 0.02) = 0.070% HB3 ASN 89 - HA1 GLY 58 16.667% * 0.0611% (0.51 1.0 1.00 0.02 0.02) = 0.061% HB3 ASN 119 - HA1 GLY 58 16.667% * 0.0189% (0.16 1.0 1.00 0.02 0.02) = 0.019% Peak 1466 (2.22, 2.79, 42.91 ppm): 14 chemical-shift based assignments, quality = 0.607, support = 2.83, residual support = 17.1: * O T HA1 GLY 58 - HA2 GLY 58 7.143% * 93.7217% (0.61 10.0 10.00 3.00 18.23) = 93.722% kept HB2 PRO 52 - HA2 GLY 58 7.143% * 2.9360% (0.73 1.0 1.00 0.53 0.02) = 2.936% kept HB2 GLU- 50 - HA2 GLY 58 7.143% * 1.7492% (0.68 1.0 1.00 0.34 0.02) = 1.749% kept HB3 ASN 15 - HA2 GLY 58 7.143% * 0.7483% (0.30 1.0 1.00 0.32 0.02) = 0.748% HG2 PRO 112 - HA2 GLY 58 7.143% * 0.1122% (0.73 1.0 1.00 0.02 0.02) = 0.112% HG3 GLN 102 - HA2 GLY 58 7.143% * 0.1120% (0.73 1.0 1.00 0.02 0.02) = 0.112% HG3 GLU- 109 - HA2 GLY 58 7.143% * 0.1112% (0.73 1.0 1.00 0.02 0.02) = 0.111% HG3 GLU- 18 - HA2 GLY 58 7.143% * 0.1083% (0.71 1.0 1.00 0.02 0.02) = 0.108% HG3 MET 97 - HA2 GLY 58 7.143% * 0.0937% (0.61 1.0 1.00 0.02 0.02) = 0.094% HG3 MET 126 - HA2 GLY 58 7.143% * 0.0815% (0.53 1.0 1.00 0.02 0.02) = 0.081% HB3 GLU- 45 - HA2 GLY 58 7.143% * 0.0771% (0.50 1.0 1.00 0.02 0.02) = 0.077% HG3 GLN 16 - HA2 GLY 58 7.143% * 0.0681% (0.44 1.0 1.00 0.02 0.02) = 0.068% HG3 GLU- 10 - HA2 GLY 58 7.143% * 0.0635% (0.42 1.0 1.00 0.02 0.02) = 0.064% HG2 MET 126 - HA2 GLY 58 7.143% * 0.0173% (0.11 1.0 1.00 0.02 0.02) = 0.017% Peak 1467 (2.23, 2.22, 42.86 ppm): 1 diagonal assignment: * HA1 GLY 58 - HA1 GLY 58 (0.75) kept Peak 1469 (1.85, 2.23, 42.87 ppm): 11 chemical-shift based assignments, quality = 0.747, support = 2.38, residual support = 17.2: * O HD2 PRO 59 - HA1 GLY 58 9.091% * 91.3653% (0.77 10.0 2.43 17.89) = 91.365% kept HB2 PRO 59 - HA1 GLY 58 9.091% * 5.0231% (0.31 1.0 2.70 17.89) = 5.023% kept HB3 LYS+ 60 - HA1 GLY 58 9.091% * 3.1242% (0.82 1.0 0.64 0.13) = 3.124% kept HB2 PRO 104 - HA1 GLY 58 9.091% * 0.0988% (0.84 1.0 0.02 0.02) = 0.099% HB3 LYS+ 72 - HA1 GLY 58 9.091% * 0.0981% (0.83 1.0 0.02 0.02) = 0.098% HB VAL 94 - HA1 GLY 58 9.091% * 0.0936% (0.79 1.0 0.02 0.02) = 0.094% HB2 LYS+ 66 - HA1 GLY 58 9.091% * 0.0719% (0.61 1.0 0.02 0.02) = 0.072% HB3 ARG+ 84 - HA1 GLY 58 9.091% * 0.0444% (0.38 1.0 0.02 0.02) = 0.044% HD3 PRO 52 - HA1 GLY 58 9.091% * 0.0407% (0.34 1.0 0.02 0.02) = 0.041% HG3 LYS+ 120 - HA1 GLY 58 9.091% * 0.0220% (0.19 1.0 0.02 0.02) = 0.022% HG2 PRO 112 - HA1 GLY 58 9.091% * 0.0179% (0.15 1.0 0.02 0.02) = 0.018% Peak 1470 (1.80, 2.79, 42.90 ppm): 12 chemical-shift based assignments, quality = 0.59, support = 0.405, residual support = 0.0193: HB3 LYS+ 63 - HA2 GLY 58 8.333% * 47.4858% (0.64 0.52 0.02) = 47.486% kept HB3 LYS+ 108 - HA2 GLY 58 8.333% * 37.4456% (0.64 0.41 0.02) = 37.446% kept HB2 GLU- 109 - HA2 GLY 58 8.333% * 5.4028% (0.36 0.10 0.02) = 5.403% kept HG3 LYS+ 108 - HA2 GLY 58 8.333% * 2.2433% (0.20 0.08 0.02) = 2.243% kept HG2 PRO 31 - HA2 GLY 58 8.333% * 1.4765% (0.52 0.02 0.02) = 1.476% kept HG3 LYS+ 63 - HA2 GLY 58 8.333% * 1.4092% (0.49 0.02 0.02) = 1.409% kept HG3 ARG+ 53 - HA2 GLY 58 8.333% * 1.1184% (0.39 0.02 0.02) = 1.118% kept HD3 LYS+ 72 - HA2 GLY 58 8.333% * 0.8267% (0.29 0.02 0.02) = 0.827% HB2 ARG+ 84 - HA2 GLY 58 8.333% * 0.7581% (0.26 0.02 0.02) = 0.758% HG2 ARG+ 84 - HA2 GLY 58 8.333% * 0.6920% (0.24 0.02 0.02) = 0.692% HB3 GLU- 18 - HA2 GLY 58 8.333% * 0.6290% (0.22 0.02 0.02) = 0.629% HD3 LYS+ 117 - HA2 GLY 58 8.333% * 0.5127% (0.18 0.02 0.02) = 0.513% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1472 (8.30, 1.56, 42.51 ppm): 12 chemical-shift based assignments, quality = 0.78, support = 2.53, residual support = 12.3: * HN ALA 91 - HB3 LEU 90 8.333% * 77.6440% (0.93 2.98 15.11) = 77.644% kept HN ASN 89 - HB3 LEU 90 8.333% * 12.0464% (0.32 1.36 4.40) = 12.046% kept HN ALA 91 - HB ILE 19 8.333% * 4.6361% (0.25 0.67 0.02) = 4.636% kept HN VAL 99 - HB ILE 19 8.333% * 2.6068% (0.16 0.58 0.02) = 2.607% kept HN GLY 114 - HB ILE 19 8.333% * 1.1562% (0.06 0.75 0.02) = 1.156% kept HN ASN 76 - HB ILE 19 8.333% * 0.7715% (0.08 0.36 0.02) = 0.771% HN ASP- 28 - HB3 LEU 90 8.333% * 0.3780% (0.68 0.02 0.02) = 0.378% HN VAL 99 - HB3 LEU 90 8.333% * 0.3367% (0.60 0.02 0.02) = 0.337% HN ASN 76 - HB3 LEU 90 8.333% * 0.1607% (0.29 0.02 0.02) = 0.161% HN GLY 114 - HB3 LEU 90 8.333% * 0.1159% (0.21 0.02 0.02) = 0.116% HN ASP- 28 - HB ILE 19 8.333% * 0.1006% (0.18 0.02 0.02) = 0.101% HN ASN 89 - HB ILE 19 8.333% * 0.0472% (0.08 0.02 0.02) = 0.047% Peak 1473 (4.30, 1.62, 42.50 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1474 (4.29, 1.56, 42.49 ppm): 30 chemical-shift based assignments, quality = 0.74, support = 2.78, residual support = 18.7: * O HA LEU 90 - HB3 LEU 90 3.333% * 96.1317% (0.75 10.0 2.88 19.40) = 96.132% kept HA ASP- 36 - HB3 LEU 90 3.333% * 1.3729% (0.89 1.0 0.24 0.02) = 1.373% kept HA ILE 29 - HB3 LEU 90 3.333% * 1.3532% (0.46 1.0 0.46 0.02) = 1.353% kept HA CYS 121 - HB3 LEU 90 3.333% * 0.1198% (0.94 1.0 0.02 0.02) = 0.120% HA THR 106 - HB3 LEU 90 3.333% * 0.1190% (0.93 1.0 0.02 0.02) = 0.119% HB3 CYS 121 - HB3 LEU 90 3.333% * 0.1136% (0.89 1.0 0.02 0.02) = 0.114% HA VAL 122 - HB3 LEU 90 3.333% * 0.0872% (0.68 1.0 0.02 0.02) = 0.087% HA VAL 94 - HB3 LEU 90 3.333% * 0.0632% (0.49 1.0 0.02 0.02) = 0.063% HA SER 85 - HB3 LEU 90 3.333% * 0.0584% (0.46 1.0 0.02 0.02) = 0.058% HA ARG+ 84 - HB3 LEU 90 3.333% * 0.0584% (0.46 1.0 0.02 0.02) = 0.058% HA PRO 52 - HB3 LEU 90 3.333% * 0.0584% (0.46 1.0 0.02 2.38) = 0.058% HA CYS 121 - HB ILE 19 3.333% * 0.0402% (0.31 1.0 0.02 0.02) = 0.040% HA THR 106 - HB ILE 19 3.333% * 0.0399% (0.31 1.0 0.02 0.02) = 0.040% HA ASP- 36 - HB ILE 19 3.333% * 0.0381% (0.30 1.0 0.02 0.02) = 0.038% HB3 CYS 121 - HB ILE 19 3.333% * 0.0381% (0.30 1.0 0.02 0.02) = 0.038% HA ALA 93 - HB3 LEU 90 3.333% * 0.0371% (0.29 1.0 0.02 0.15) = 0.037% HA GLU- 56 - HB3 LEU 90 3.333% * 0.0334% (0.26 1.0 0.02 0.02) = 0.033% HA LEU 90 - HB ILE 19 3.333% * 0.0322% (0.25 1.0 0.02 0.29) = 0.032% HA VAL 122 - HB ILE 19 3.333% * 0.0292% (0.23 1.0 0.02 0.02) = 0.029% HA VAL 94 - HB ILE 19 3.333% * 0.0212% (0.17 1.0 0.02 0.38) = 0.021% HA GLU- 64 - HB3 LEU 90 3.333% * 0.0210% (0.16 1.0 0.02 0.02) = 0.021% HA ILE 29 - HB ILE 19 3.333% * 0.0196% (0.15 1.0 0.02 0.02) = 0.020% HA ARG+ 84 - HB ILE 19 3.333% * 0.0196% (0.15 1.0 0.02 0.02) = 0.020% HA SER 85 - HB ILE 19 3.333% * 0.0196% (0.15 1.0 0.02 0.02) = 0.020% HA PRO 52 - HB ILE 19 3.333% * 0.0196% (0.15 1.0 0.02 0.02) = 0.020% HA GLU- 75 - HB3 LEU 90 3.333% * 0.0185% (0.14 1.0 0.02 0.39) = 0.019% HA ALA 93 - HB ILE 19 3.333% * 0.0124% (0.10 1.0 0.02 0.02) = 0.012% HA GLU- 56 - HB ILE 19 3.333% * 0.0112% (0.09 1.0 0.02 0.02) = 0.011% HA GLU- 64 - HB ILE 19 3.333% * 0.0071% (0.06 1.0 0.02 0.02) = 0.007% HA GLU- 75 - HB ILE 19 3.333% * 0.0062% (0.05 1.0 0.02 0.02) = 0.006% Peak 1480 (3.13, 3.12, 42.46 ppm): 3 diagonal assignments: * HE3 LYS+ 108 - HE3 LYS+ 108 (0.93) kept HE3 LYS+ 72 - HE3 LYS+ 72 (0.85) kept HE3 LYS+ 117 - HE3 LYS+ 117 (0.83) kept Peak 1486 (2.99, 2.98, 42.50 ppm): 3 diagonal assignments: * HE2 LYS+ 117 - HE2 LYS+ 117 (0.58) kept HE3 LYS+ 113 - HE3 LYS+ 113 (0.36) kept HE3 LYS+ 55 - HE3 LYS+ 55 (0.23) kept Peak 1488 (2.90, 1.57, 42.39 ppm): 10 chemical-shift based assignments, quality = 0.257, support = 0.275, residual support = 0.302: T HE3 LYS+ 60 - HB ILE 19 10.000% * 54.2713% (0.12 10.00 0.32 0.42) = 54.271% kept HB2 HIS+ 98 - HB3 LEU 90 10.000% * 18.0078% (0.48 1.00 0.27 0.13) = 18.008% kept HB2 HIS+ 98 - HB ILE 19 10.000% * 15.6395% (0.37 1.00 0.30 0.29) = 15.640% kept T HE3 LYS+ 60 - HB3 LEU 90 10.000% * 4.3042% (0.16 10.00 0.02 0.02) = 4.304% kept HB3 ASN 57 - HB3 LEU 90 10.000% * 1.9506% (0.70 1.00 0.02 0.02) = 1.951% kept HE3 LYS+ 81 - HB3 LEU 90 10.000% * 1.8167% (0.66 1.00 0.02 0.02) = 1.817% kept HB3 ASN 57 - HB ILE 19 10.000% * 1.5193% (0.55 1.00 0.02 0.02) = 1.519% kept HE3 LYS+ 81 - HB ILE 19 10.000% * 1.4150% (0.51 1.00 0.02 0.02) = 1.415% kept HB2 CYS 121 - HB3 LEU 90 10.000% * 0.6047% (0.22 1.00 0.02 0.02) = 0.605% HB2 CYS 121 - HB ILE 19 10.000% * 0.4710% (0.17 1.00 0.02 0.02) = 0.471% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1499 (1.82, 3.12, 42.45 ppm): 27 chemical-shift based assignments, quality = 0.853, support = 1.15, residual support = 13.3: O T HG3 LYS+ 108 - HE3 LYS+ 108 3.704% * 34.8733% (0.95 10.0 10.00 1.00 13.53) = 34.873% kept O T HD3 LYS+ 117 - HE3 LYS+ 117 3.704% * 31.8679% (0.87 10.0 10.00 1.00 2.12) = 31.868% kept * O T HD3 LYS+ 72 - HE3 LYS+ 72 3.704% * 29.9569% (0.81 10.0 10.00 1.53 25.75) = 29.957% kept HB3 LYS+ 108 - HE3 LYS+ 108 3.704% * 1.1128% (0.24 1.0 1.00 2.54 13.53) = 1.113% kept T HD3 LYS+ 117 - HE3 LYS+ 108 3.704% * 0.3511% (0.95 1.0 10.00 0.02 0.02) = 0.351% T HD3 LYS+ 72 - HE3 LYS+ 108 3.704% * 0.3248% (0.88 1.0 10.00 0.02 0.02) = 0.325% T HD3 LYS+ 117 - HE3 LYS+ 72 3.704% * 0.3238% (0.88 1.0 10.00 0.02 0.02) = 0.324% T HG3 LYS+ 108 - HE3 LYS+ 72 3.704% * 0.3216% (0.87 1.0 10.00 0.02 0.02) = 0.322% T HG3 LYS+ 108 - HE3 LYS+ 117 3.704% * 0.3166% (0.86 1.0 10.00 0.02 0.02) = 0.317% T HD3 LYS+ 72 - HE3 LYS+ 117 3.704% * 0.2948% (0.80 1.0 10.00 0.02 0.02) = 0.295% HB2 GLU- 109 - HE3 LYS+ 108 3.704% * 0.0294% (0.80 1.0 1.00 0.02 4.61) = 0.029% HB2 GLU- 109 - HE3 LYS+ 72 3.704% * 0.0271% (0.74 1.0 1.00 0.02 0.02) = 0.027% HB2 PRO 59 - HE3 LYS+ 108 3.704% * 0.0269% (0.73 1.0 1.00 0.02 0.17) = 0.027% HB2 GLU- 109 - HE3 LYS+ 117 3.704% * 0.0267% (0.72 1.0 1.00 0.02 0.02) = 0.027% HB2 PRO 59 - HE3 LYS+ 72 3.704% * 0.0248% (0.67 1.0 1.00 0.02 1.46) = 0.025% HB2 PRO 59 - HE3 LYS+ 117 3.704% * 0.0244% (0.66 1.0 1.00 0.02 0.02) = 0.024% HB2 LYS+ 66 - HE3 LYS+ 108 3.704% * 0.0145% (0.39 1.0 1.00 0.02 0.02) = 0.014% HB2 LYS+ 66 - HE3 LYS+ 72 3.704% * 0.0133% (0.36 1.0 1.00 0.02 0.02) = 0.013% HB2 LYS+ 66 - HE3 LYS+ 117 3.704% * 0.0131% (0.36 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 63 - HE3 LYS+ 108 3.704% * 0.0088% (0.24 1.0 1.00 0.02 0.02) = 0.009% HB3 LYS+ 63 - HE3 LYS+ 72 3.704% * 0.0081% (0.22 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 108 - HE3 LYS+ 72 3.704% * 0.0081% (0.22 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 63 - HE3 LYS+ 117 3.704% * 0.0080% (0.22 1.0 1.00 0.02 0.73) = 0.008% HB3 LYS+ 108 - HE3 LYS+ 117 3.704% * 0.0080% (0.22 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 60 - HE3 LYS+ 108 3.704% * 0.0054% (0.15 1.0 1.00 0.02 0.02) = 0.005% HB3 LYS+ 60 - HE3 LYS+ 72 3.704% * 0.0050% (0.14 1.0 1.00 0.02 0.02) = 0.005% HB3 LYS+ 60 - HE3 LYS+ 117 3.704% * 0.0049% (0.13 1.0 1.00 0.02 0.02) = 0.005% Peak 1500 (1.80, 2.92, 42.39 ppm): 12 chemical-shift based assignments, quality = 0.728, support = 0.714, residual support = 0.663: HB3 LYS+ 63 - HE3 LYS+ 60 8.333% * 63.3515% (0.79 0.97 1.04) = 63.351% kept HB3 LYS+ 108 - HE3 LYS+ 60 8.333% * 24.3268% (0.79 0.37 0.02) = 24.327% kept HB2 GLU- 109 - HE3 LYS+ 60 8.333% * 5.7883% (0.59 0.12 0.02) = 5.788% kept HB3 GLU- 18 - HE3 LYS+ 60 8.333% * 1.5378% (0.18 0.10 0.02) = 1.538% kept HG2 PRO 31 - HE3 LYS+ 60 8.333% * 0.8746% (0.53 0.02 0.02) = 0.875% HG3 LYS+ 63 - HE3 LYS+ 60 8.333% * 0.8200% (0.50 0.02 1.04) = 0.820% HD3 LYS+ 72 - HE3 LYS+ 60 8.333% * 0.8200% (0.50 0.02 0.02) = 0.820% HG3 ARG+ 53 - HE3 LYS+ 60 8.333% * 0.6061% (0.37 0.02 0.02) = 0.606% HG3 LYS+ 108 - HE3 LYS+ 60 8.333% * 0.6061% (0.37 0.02 0.02) = 0.606% HD3 LYS+ 117 - HE3 LYS+ 60 8.333% * 0.5558% (0.34 0.02 0.02) = 0.556% HB2 ARG+ 84 - HE3 LYS+ 60 8.333% * 0.3759% (0.23 0.02 0.02) = 0.376% HG2 ARG+ 84 - HE3 LYS+ 60 8.333% * 0.3371% (0.20 0.02 0.02) = 0.337% Peak 1503 (1.56, 2.90, 42.39 ppm): 10 chemical-shift based assignments, quality = 0.479, support = 0.925, residual support = 36.7: * O T HD3 LYS+ 60 - HE3 LYS+ 60 10.000% * 81.0479% (0.49 10.0 10.00 1.05 45.24) = 81.048% kept T HD3 LYS+ 81 - HE3 LYS+ 60 10.000% * 17.1358% (0.49 1.0 10.00 0.42 0.13) = 17.136% kept T HB ILE 19 - HE3 LYS+ 60 10.000% * 0.7735% (0.46 1.0 10.00 0.02 0.42) = 0.774% T HB3 LEU 90 - HE3 LYS+ 60 10.000% * 0.6830% (0.41 1.0 10.00 0.02 0.02) = 0.683% HG LEU 17 - HE3 LYS+ 60 10.000% * 0.0789% (0.47 1.0 1.00 0.02 0.02) = 0.079% QB ALA 42 - HE3 LYS+ 60 10.000% * 0.0733% (0.44 1.0 1.00 0.02 0.02) = 0.073% HG12 ILE 29 - HE3 LYS+ 60 10.000% * 0.0733% (0.44 1.0 1.00 0.02 0.02) = 0.073% HG13 ILE 29 - HE3 LYS+ 60 10.000% * 0.0594% (0.36 1.0 1.00 0.02 0.02) = 0.059% QG2 THR 24 - HE3 LYS+ 60 10.000% * 0.0496% (0.30 1.0 1.00 0.02 0.02) = 0.050% HB3 LYS+ 32 - HE3 LYS+ 60 10.000% * 0.0252% (0.15 1.0 1.00 0.02 0.16) = 0.025% Peak 1506 (1.56, 1.55, 42.48 ppm): 2 diagonal assignments: * HB3 LEU 90 - HB3 LEU 90 (0.98) kept HB ILE 19 - HB ILE 19 (0.18) kept Peak 1508 (1.49, 3.13, 42.43 ppm): 24 chemical-shift based assignments, quality = 0.457, support = 1.16, residual support = 19.2: * O T HG3 LYS+ 72 - HE3 LYS+ 72 4.167% * 46.1798% (0.35 10.0 10.00 1.22 25.75) = 46.180% kept O HD3 LYS+ 108 - HE3 LYS+ 108 4.167% * 39.0188% (0.59 10.0 1.00 1.00 13.53) = 39.019% kept HB2 LYS+ 72 - HE3 LYS+ 72 4.167% * 7.5415% (0.45 1.0 1.00 2.52 25.75) = 7.542% kept QB ALA 70 - HE3 LYS+ 72 4.167% * 2.9312% (0.87 1.0 1.00 0.50 2.40) = 2.931% kept T HG3 LYS+ 72 - HE3 LYS+ 117 4.167% * 2.6486% (0.34 1.0 10.00 0.12 0.02) = 2.649% kept T HG3 LYS+ 72 - HE3 LYS+ 108 4.167% * 0.4829% (0.36 1.0 10.00 0.02 0.02) = 0.483% QB ALA 70 - HE3 LYS+ 108 4.167% * 0.1217% (0.91 1.0 1.00 0.02 0.02) = 0.122% HB3 LYS+ 44 - HE3 LYS+ 108 4.167% * 0.1188% (0.89 1.0 1.00 0.02 0.02) = 0.119% QB ALA 70 - HE3 LYS+ 117 4.167% * 0.1149% (0.86 1.0 1.00 0.02 0.02) = 0.115% HB3 LYS+ 44 - HE3 LYS+ 72 4.167% * 0.1136% (0.85 1.0 1.00 0.02 0.02) = 0.114% HB3 LYS+ 44 - HE3 LYS+ 117 4.167% * 0.1121% (0.84 1.0 1.00 0.02 0.02) = 0.112% HD3 LYS+ 108 - HE3 LYS+ 72 4.167% * 0.0746% (0.56 1.0 1.00 0.02 0.02) = 0.075% HD3 LYS+ 108 - HE3 LYS+ 117 4.167% * 0.0737% (0.55 1.0 1.00 0.02 0.02) = 0.074% HB2 LYS+ 72 - HE3 LYS+ 108 4.167% * 0.0626% (0.47 1.0 1.00 0.02 0.02) = 0.063% HB2 LYS+ 72 - HE3 LYS+ 117 4.167% * 0.0591% (0.44 1.0 1.00 0.02 0.02) = 0.059% HB3 LEU 67 - HE3 LYS+ 108 4.167% * 0.0529% (0.40 1.0 1.00 0.02 0.02) = 0.053% HB3 LEU 67 - HE3 LYS+ 72 4.167% * 0.0506% (0.38 1.0 1.00 0.02 0.21) = 0.051% HB3 LEU 67 - HE3 LYS+ 117 4.167% * 0.0499% (0.37 1.0 1.00 0.02 0.02) = 0.050% HG3 PRO 52 - HE3 LYS+ 108 4.167% * 0.0439% (0.33 1.0 1.00 0.02 0.02) = 0.044% HG3 PRO 52 - HE3 LYS+ 72 4.167% * 0.0420% (0.32 1.0 1.00 0.02 0.02) = 0.042% HG3 PRO 52 - HE3 LYS+ 117 4.167% * 0.0414% (0.31 1.0 1.00 0.02 0.02) = 0.041% HG13 ILE 48 - HE3 LYS+ 108 4.167% * 0.0225% (0.17 1.0 1.00 0.02 0.02) = 0.023% HG13 ILE 48 - HE3 LYS+ 72 4.167% * 0.0215% (0.16 1.0 1.00 0.02 0.13) = 0.022% HG13 ILE 48 - HE3 LYS+ 117 4.167% * 0.0213% (0.16 1.0 1.00 0.02 0.02) = 0.021% Peak 1510 (1.36, 2.90, 42.39 ppm): 7 chemical-shift based assignments, quality = 0.441, support = 0.161, residual support = 0.124: HB3 LYS+ 20 - HE3 LYS+ 60 14.286% * 51.8602% (0.45 1.00 0.29 0.15) = 51.860% kept T HG3 LYS+ 81 - HE3 LYS+ 60 14.286% * 35.5274% (0.45 10.00 0.02 0.13) = 35.527% kept HB3 LEU 17 - HE3 LYS+ 60 14.286% * 3.6732% (0.47 1.00 0.02 0.02) = 3.673% kept QB ALA 11 - HE3 LYS+ 60 14.286% * 3.4824% (0.44 1.00 0.02 0.02) = 3.482% kept HG2 LYS+ 78 - HE3 LYS+ 60 14.286% * 2.5287% (0.32 1.00 0.02 0.02) = 2.529% kept QG2 THR 39 - HE3 LYS+ 60 14.286% * 1.7919% (0.23 1.00 0.02 0.02) = 1.792% kept HG13 ILE 68 - HE3 LYS+ 60 14.286% * 1.1362% (0.14 1.00 0.02 0.02) = 1.136% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1513 (8.97, 1.57, 42.16 ppm): 12 chemical-shift based assignments, quality = 0.896, support = 5.4, residual support = 77.6: * O HN ILE 19 - HB ILE 19 8.333% * 78.1719% (0.92 10.0 6.18 96.53) = 78.172% kept HN MET 97 - HB ILE 19 8.333% * 11.3879% (0.92 1.0 2.91 7.98) = 11.388% kept HN LEU 17 - HB ILE 19 8.333% * 8.0672% (0.78 1.0 2.44 13.75) = 8.067% kept HN THR 96 - HB ILE 19 8.333% * 2.2472% (0.30 1.0 1.76 5.70) = 2.247% kept HN ARG+ 22 - HB ILE 19 8.333% * 0.0310% (0.37 1.0 0.02 1.75) = 0.031% HN MET 97 - HB3 LEU 90 8.333% * 0.0201% (0.24 1.0 0.02 0.02) = 0.020% HN ILE 19 - HB3 LEU 90 8.333% * 0.0201% (0.24 1.0 0.02 0.29) = 0.020% HN PHE 21 - HB ILE 19 8.333% * 0.0184% (0.22 1.0 0.02 10.00) = 0.018% HN LEU 17 - HB3 LEU 90 8.333% * 0.0170% (0.20 1.0 0.02 0.17) = 0.017% HN ARG+ 22 - HB3 LEU 90 8.333% * 0.0080% (0.09 1.0 0.02 0.02) = 0.008% HN THR 96 - HB3 LEU 90 8.333% * 0.0066% (0.08 1.0 0.02 0.02) = 0.007% HN PHE 21 - HB3 LEU 90 8.333% * 0.0047% (0.06 1.0 0.02 0.02) = 0.005% Peak 1514 (7.34, 1.57, 42.17 ppm): 14 chemical-shift based assignments, quality = 0.682, support = 4.17, residual support = 52.0: * QE PHE 34 - HB ILE 19 7.143% * 45.8303% (0.78 4.82 54.24) = 45.830% kept HZ PHE 34 - HB ILE 19 7.143% * 29.8926% (0.78 3.14 54.24) = 29.893% kept QD PHE 34 - HB ILE 19 7.143% * 20.2298% (0.33 4.99 54.24) = 20.230% kept HZ2 TRP 51 - HB ILE 19 7.143% * 2.5563% (0.78 0.27 0.02) = 2.556% kept HN VAL 47 - HB ILE 19 7.143% * 1.0986% (0.27 0.33 0.02) = 1.099% kept HE22 GLN 102 - HB ILE 19 7.143% * 0.0811% (0.33 0.02 0.02) = 0.081% HN ARG+ 84 - HB ILE 19 7.143% * 0.0593% (0.24 0.02 0.02) = 0.059% HZ2 TRP 51 - HB3 LEU 90 7.143% * 0.0559% (0.23 0.02 0.02) = 0.056% QE PHE 34 - HB3 LEU 90 7.143% * 0.0559% (0.23 0.02 0.02) = 0.056% HZ PHE 34 - HB3 LEU 90 7.143% * 0.0559% (0.23 0.02 0.02) = 0.056% QD PHE 34 - HB3 LEU 90 7.143% * 0.0238% (0.10 0.02 0.02) = 0.024% HE22 GLN 102 - HB3 LEU 90 7.143% * 0.0238% (0.10 0.02 0.02) = 0.024% HN VAL 47 - HB3 LEU 90 7.143% * 0.0194% (0.08 0.02 0.02) = 0.019% HN ARG+ 84 - HB3 LEU 90 7.143% * 0.0174% (0.07 0.02 0.02) = 0.017% Peak 1522 (4.81, 1.56, 42.22 ppm): 6 chemical-shift based assignments, quality = 0.832, support = 3.28, residual support = 17.4: HA GLU- 18 - HB ILE 19 16.667% * 68.6847% (0.93 4.33 25.23) = 68.685% kept HB THR 39 - HB ILE 19 16.667% * 12.9697% (0.93 0.82 0.14) = 12.970% kept HB THR 39 - HB3 LEU 90 16.667% * 9.8066% (0.42 1.39 0.55) = 9.807% kept HA LEU 23 - HB3 LEU 90 16.667% * 4.8310% (0.32 0.89 0.15) = 4.831% kept HA GLU- 18 - HB3 LEU 90 16.667% * 3.4657% (0.42 0.49 0.02) = 3.466% kept HA LEU 23 - HB ILE 19 16.667% * 0.2423% (0.71 0.02 0.02) = 0.242% Peak 1658 (1.68, 3.06, 42.20 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1659 (1.68, 2.97, 42.26 ppm): 27 chemical-shift based assignments, quality = 0.672, support = 0.78, residual support = 7.77: O HD3 LYS+ 55 - HE3 LYS+ 55 3.704% * 52.4653% (0.59 10.0 1.00 1.00 14.29) = 52.465% kept T HB3 MET 126 - HE3 LYS+ 113 3.704% * 42.8358% (0.81 1.0 10.00 0.60 0.64) = 42.836% kept T HB3 MET 126 - HE2 LYS+ 117 3.704% * 1.2374% (0.70 1.0 10.00 0.02 0.02) = 1.237% kept T HB3 MET 126 - HE3 LYS+ 55 3.704% * 1.0493% (0.59 1.0 10.00 0.02 0.02) = 1.049% kept HB3 LYS+ 81 - HE3 LYS+ 113 3.704% * 0.1573% (0.89 1.0 1.00 0.02 0.02) = 0.157% HD3 LYS+ 55 - HE3 LYS+ 113 3.704% * 0.1439% (0.81 1.0 1.00 0.02 0.89) = 0.144% HB3 LYS+ 81 - HE2 LYS+ 117 3.704% * 0.1352% (0.76 1.0 1.00 0.02 0.02) = 0.135% HB3 MET 97 - HE3 LYS+ 113 3.704% * 0.1340% (0.75 1.0 1.00 0.02 0.02) = 0.134% HG13 ILE 19 - HE3 LYS+ 113 3.704% * 0.1285% (0.72 1.0 1.00 0.02 0.02) = 0.128% HD3 LYS+ 55 - HE2 LYS+ 117 3.704% * 0.1237% (0.70 1.0 1.00 0.02 0.02) = 0.124% HB ILE 100 - HE3 LYS+ 113 3.704% * 0.1165% (0.66 1.0 1.00 0.02 0.02) = 0.116% HB3 MET 97 - HE2 LYS+ 117 3.704% * 0.1152% (0.65 1.0 1.00 0.02 0.02) = 0.115% HB3 LYS+ 81 - HE3 LYS+ 55 3.704% * 0.1147% (0.65 1.0 1.00 0.02 0.02) = 0.115% HG13 ILE 19 - HE2 LYS+ 117 3.704% * 0.1105% (0.62 1.0 1.00 0.02 0.02) = 0.110% HB3 LYS+ 66 - HE3 LYS+ 113 3.704% * 0.1102% (0.62 1.0 1.00 0.02 0.02) = 0.110% HG2 PRO 52 - HE3 LYS+ 113 3.704% * 0.1038% (0.58 1.0 1.00 0.02 0.02) = 0.104% HB ILE 100 - HE2 LYS+ 117 3.704% * 0.1002% (0.56 1.0 1.00 0.02 0.02) = 0.100% HB3 MET 97 - HE3 LYS+ 55 3.704% * 0.0977% (0.55 1.0 1.00 0.02 0.02) = 0.098% HB3 LYS+ 66 - HE2 LYS+ 117 3.704% * 0.0948% (0.53 1.0 1.00 0.02 0.02) = 0.095% HG13 ILE 19 - HE3 LYS+ 55 3.704% * 0.0937% (0.53 1.0 1.00 0.02 0.02) = 0.094% HG2 PRO 52 - HE2 LYS+ 117 3.704% * 0.0893% (0.50 1.0 1.00 0.02 0.02) = 0.089% HB ILE 100 - HE3 LYS+ 55 3.704% * 0.0850% (0.48 1.0 1.00 0.02 0.02) = 0.085% HB3 LYS+ 66 - HE3 LYS+ 55 3.704% * 0.0804% (0.45 1.0 1.00 0.02 0.02) = 0.080% HG3 ARG+ 84 - HE3 LYS+ 113 3.704% * 0.0781% (0.44 1.0 1.00 0.02 0.02) = 0.078% HG2 PRO 52 - HE3 LYS+ 55 3.704% * 0.0757% (0.43 1.0 1.00 0.02 2.54) = 0.076% HG3 ARG+ 84 - HE2 LYS+ 117 3.704% * 0.0672% (0.38 1.0 1.00 0.02 0.02) = 0.067% HG3 ARG+ 84 - HE3 LYS+ 55 3.704% * 0.0570% (0.32 1.0 1.00 0.02 0.02) = 0.057% Peak 1660 (1.40, 3.29, 42.22 ppm): 11 chemical-shift based assignments, quality = 0.857, support = 0.539, residual support = 0.275: HG13 ILE 100 - HD3 ARG+ 22 9.091% * 27.4273% (0.94 0.64 0.13) = 27.427% kept HG LEU 67 - HD3 ARG+ 22 9.091% * 25.7187% (0.91 0.61 0.70) = 25.719% kept HD3 LYS+ 20 - HD3 ARG+ 22 9.091% * 22.6610% (0.96 0.52 0.25) = 22.661% kept HG13 ILE 68 - HD3 ARG+ 22 9.091% * 14.8444% (0.60 0.54 0.02) = 14.844% kept QB ALA 93 - HD3 ARG+ 22 9.091% * 5.9838% (0.94 0.14 0.02) = 5.984% kept QB ALA 91 - HD3 ARG+ 22 9.091% * 1.5773% (0.25 0.14 0.02) = 1.577% kept QB ALA 37 - HD3 ARG+ 22 9.091% * 0.6957% (0.76 0.02 0.02) = 0.696% QG2 THR 39 - HD3 ARG+ 22 9.091% * 0.3742% (0.41 0.02 0.02) = 0.374% HD3 LYS+ 44 - HD3 ARG+ 22 9.091% * 0.3105% (0.34 0.02 0.02) = 0.311% HG2 LYS+ 78 - HD3 ARG+ 22 9.091% * 0.2270% (0.25 0.02 0.02) = 0.227% QG2 THR 38 - HD3 ARG+ 22 9.091% * 0.1801% (0.20 0.02 0.02) = 0.180% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1661 (1.41, 3.06, 42.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1665 (1.04, 2.62, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.256, support = 2.24, residual support = 34.1: * O T HG3 LYS+ 20 - HE3 LYS+ 20 100.000% *100.0000% (0.26 10.0 10.00 2.24 34.11) = 100.000% kept Peak 1666 (0.94, 2.97, 42.26 ppm): 30 chemical-shift based assignments, quality = 0.474, support = 0.0626, residual support = 0.0217: QG2 ILE 29 - HE3 LYS+ 113 3.333% * 15.2063% (0.46 0.14 0.02) = 15.206% kept QG2 VAL 62 - HE3 LYS+ 113 3.333% * 14.4365% (0.56 0.11 0.02) = 14.437% kept QG2 VAL 73 - HE3 LYS+ 113 3.333% * 10.4960% (0.48 0.09 0.02) = 10.496% kept HG3 LYS+ 110 - HE2 LYS+ 117 3.333% * 8.1636% (0.43 0.08 0.02) = 8.164% kept QG1 VAL 105 - HE3 LYS+ 113 3.333% * 3.1879% (0.67 0.02 0.02) = 3.188% kept QD1 LEU 17 - HE3 LYS+ 113 3.333% * 3.1808% (0.67 0.02 0.02) = 3.181% kept QG2 VAL 105 - HE3 LYS+ 113 3.333% * 3.1597% (0.66 0.02 0.02) = 3.160% kept QG1 VAL 105 - HE2 LYS+ 117 3.333% * 2.6998% (0.56 0.02 0.02) = 2.700% kept QD1 LEU 17 - HE2 LYS+ 117 3.333% * 2.6938% (0.56 0.02 0.02) = 2.694% kept QG2 VAL 105 - HE2 LYS+ 117 3.333% * 2.6759% (0.56 0.02 0.02) = 2.676% kept HG12 ILE 68 - HE3 LYS+ 113 3.333% * 2.6627% (0.56 0.02 0.02) = 2.663% kept HG3 LYS+ 110 - HE3 LYS+ 113 3.333% * 2.4363% (0.51 0.02 0.02) = 2.436% kept QG2 VAL 62 - HE2 LYS+ 117 3.333% * 2.2550% (0.47 0.02 0.02) = 2.255% kept HG12 ILE 68 - HE2 LYS+ 117 3.333% * 2.2550% (0.47 0.02 0.02) = 2.255% kept QG2 VAL 80 - HE3 LYS+ 113 3.333% * 2.0623% (0.43 0.02 0.02) = 2.062% kept QG2 VAL 73 - HE2 LYS+ 117 3.333% * 1.9604% (0.41 0.02 0.13) = 1.960% kept QG1 VAL 105 - HE3 LYS+ 55 3.333% * 1.9314% (0.40 0.02 0.02) = 1.931% kept QD1 LEU 17 - HE3 LYS+ 55 3.333% * 1.9271% (0.40 0.02 0.02) = 1.927% kept QG2 VAL 105 - HE3 LYS+ 55 3.333% * 1.9143% (0.40 0.02 0.02) = 1.914% kept QG2 ILE 29 - HE2 LYS+ 117 3.333% * 1.8545% (0.39 0.02 0.02) = 1.855% kept QG2 VAL 80 - HE2 LYS+ 117 3.333% * 1.7465% (0.37 0.02 0.02) = 1.747% kept QG2 VAL 62 - HE3 LYS+ 55 3.333% * 1.6132% (0.34 0.02 0.02) = 1.613% kept HG12 ILE 68 - HE3 LYS+ 55 3.333% * 1.6132% (0.34 0.02 0.02) = 1.613% kept HG3 LYS+ 110 - HE3 LYS+ 55 3.333% * 1.4760% (0.31 0.02 0.02) = 1.476% kept QG2 VAL 73 - HE3 LYS+ 55 3.333% * 1.4024% (0.29 0.02 0.02) = 1.402% kept QG2 ILE 29 - HE3 LYS+ 55 3.333% * 1.3267% (0.28 0.02 0.02) = 1.327% kept QG2 VAL 80 - HE3 LYS+ 55 3.333% * 1.2494% (0.26 0.02 0.02) = 1.249% kept QG2 VAL 99 - HE3 LYS+ 113 3.333% * 0.9839% (0.21 0.02 0.02) = 0.984% QG2 VAL 99 - HE2 LYS+ 117 3.333% * 0.8333% (0.17 0.02 0.02) = 0.833% QG2 VAL 99 - HE3 LYS+ 55 3.333% * 0.5961% (0.12 0.02 0.02) = 0.596% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1667 (0.93, 2.87, 42.07 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1669 (0.73, 3.00, 42.26 ppm): 27 chemical-shift based assignments, quality = 0.7, support = 0.085, residual support = 0.0366: QG1 VAL 40 - HE3 LYS+ 55 3.704% * 28.5425% (0.89 0.19 0.02) = 28.543% kept HG3 LYS+ 66 - HE3 LYS+ 55 3.704% * 11.4590% (0.75 0.09 0.02) = 11.459% kept QG2 ILE 101 - HE3 LYS+ 55 3.704% * 7.2076% (0.47 0.09 0.02) = 7.208% kept QG2 ILE 48 - HE3 LYS+ 113 3.704% * 7.2076% (0.50 0.08 0.02) = 7.208% kept QD1 ILE 68 - HE3 LYS+ 55 3.704% * 3.0561% (0.89 0.02 0.02) = 3.056% kept QG2 VAL 65 - HE3 LYS+ 55 3.704% * 3.0290% (0.88 0.02 0.02) = 3.029% kept QD1 ILE 68 - HE3 LYS+ 113 3.704% * 2.5835% (0.75 0.02 0.02) = 2.584% kept QG1 VAL 40 - HE3 LYS+ 113 3.704% * 2.5778% (0.75 0.02 0.02) = 2.578% kept QG2 VAL 65 - HE3 LYS+ 113 3.704% * 2.5607% (0.75 0.02 0.02) = 2.561% kept HG3 LYS+ 44 - HE3 LYS+ 55 3.704% * 2.5527% (0.75 0.02 0.02) = 2.553% kept QD1 ILE 68 - HE2 LYS+ 117 3.704% * 2.3481% (0.69 0.02 0.02) = 2.348% kept QG1 VAL 40 - HE2 LYS+ 117 3.704% * 2.3428% (0.68 0.02 0.02) = 2.343% kept QG2 VAL 65 - HE2 LYS+ 117 3.704% * 2.3273% (0.68 0.02 0.02) = 2.327% kept HG LEU 74 - HE3 LYS+ 55 3.704% * 2.2192% (0.65 0.02 0.02) = 2.219% kept HG3 LYS+ 44 - HE3 LYS+ 113 3.704% * 2.1579% (0.63 0.02 0.02) = 2.158% kept HG3 LYS+ 66 - HE3 LYS+ 113 3.704% * 2.1579% (0.63 0.02 0.02) = 2.158% kept QG2 ILE 48 - HE3 LYS+ 55 3.704% * 2.0313% (0.59 0.02 0.02) = 2.031% kept HG3 LYS+ 44 - HE2 LYS+ 117 3.704% * 1.9613% (0.57 0.02 0.02) = 1.961% kept HG3 LYS+ 66 - HE2 LYS+ 117 3.704% * 1.9613% (0.57 0.02 0.02) = 1.961% kept HG LEU 74 - HE3 LYS+ 113 3.704% * 1.8760% (0.55 0.02 0.02) = 1.876% kept HG LEU 74 - HE2 LYS+ 117 3.704% * 1.7050% (0.50 0.02 1.02) = 1.705% kept QG2 ILE 48 - HE2 LYS+ 117 3.704% * 1.5607% (0.46 0.02 0.02) = 1.561% kept QG2 ILE 101 - HE3 LYS+ 113 3.704% * 1.3532% (0.40 0.02 0.02) = 1.353% kept QG2 ILE 101 - HE2 LYS+ 117 3.704% * 1.2299% (0.36 0.02 0.02) = 1.230% kept QG2 THR 96 - HE3 LYS+ 55 3.704% * 0.7620% (0.22 0.02 0.02) = 0.762% QG2 THR 96 - HE3 LYS+ 113 3.704% * 0.6442% (0.19 0.02 0.02) = 0.644% QG2 THR 96 - HE2 LYS+ 117 3.704% * 0.5855% (0.17 0.02 0.02) = 0.585% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1670 (0.69, 2.62, 41.87 ppm): 10 chemical-shift based assignments, quality = 0.238, support = 3.15, residual support = 44.4: T QD1 ILE 19 - HE3 LYS+ 20 10.000% * 84.0125% (0.24 10.00 3.16 45.44) = 84.013% kept HG12 ILE 19 - HE3 LYS+ 20 10.000% * 13.5519% (0.22 1.00 3.61 45.44) = 13.552% kept QG2 VAL 94 - HE3 LYS+ 20 10.000% * 1.9535% (0.23 1.00 0.50 4.01) = 1.954% kept QG2 ILE 48 - HE3 LYS+ 20 10.000% * 0.0912% (0.26 1.00 0.02 0.02) = 0.091% QG2 ILE 101 - HE3 LYS+ 20 10.000% * 0.0911% (0.26 1.00 0.02 0.02) = 0.091% QG1 VAL 65 - HE3 LYS+ 20 10.000% * 0.0886% (0.26 1.00 0.02 0.02) = 0.089% QG2 ILE 68 - HE3 LYS+ 20 10.000% * 0.0782% (0.23 1.00 0.02 0.02) = 0.078% * QG2 THR 96 - HE3 LYS+ 20 10.000% * 0.0750% (0.22 1.00 0.02 1.81) = 0.075% QG1 VAL 62 - HE3 LYS+ 20 10.000% * 0.0289% (0.08 1.00 0.02 0.76) = 0.029% HG LEU 74 - HE3 LYS+ 20 10.000% * 0.0289% (0.08 1.00 0.02 0.02) = 0.029% Reference assignment eliminated. Peak 1671 (0.69, 1.57, 42.22 ppm): 20 chemical-shift based assignments, quality = 0.867, support = 5.96, residual support = 92.8: * O QD1 ILE 19 - HB ILE 19 5.000% * 50.4792% (0.91 10.0 5.98 96.53) = 50.479% kept O HG12 ILE 19 - HB ILE 19 5.000% * 45.6755% (0.83 10.0 6.33 96.53) = 45.675% kept QG2 VAL 94 - HB ILE 19 5.000% * 3.4100% (0.86 1.0 1.44 0.38) = 3.410% kept QG2 ILE 48 - HB ILE 19 5.000% * 0.0535% (0.97 1.0 0.02 0.02) = 0.053% QG2 ILE 101 - HB ILE 19 5.000% * 0.0527% (0.95 1.0 0.02 0.02) = 0.053% QG1 VAL 65 - HB ILE 19 5.000% * 0.0505% (0.91 1.0 0.02 0.02) = 0.050% QG2 ILE 68 - HB ILE 19 5.000% * 0.0474% (0.86 1.0 0.02 0.02) = 0.047% QG2 THR 96 - HB ILE 19 5.000% * 0.0418% (0.76 1.0 0.02 5.70) = 0.042% QG2 ILE 48 - HB3 LEU 90 5.000% * 0.0197% (0.36 1.0 0.02 0.02) = 0.020% QG2 ILE 101 - HB3 LEU 90 5.000% * 0.0194% (0.35 1.0 0.02 0.02) = 0.019% QG1 VAL 62 - HB ILE 19 5.000% * 0.0187% (0.34 1.0 0.02 0.12) = 0.019% QG1 VAL 65 - HB3 LEU 90 5.000% * 0.0186% (0.34 1.0 0.02 0.02) = 0.019% QD1 ILE 19 - HB3 LEU 90 5.000% * 0.0186% (0.34 1.0 0.02 0.29) = 0.019% QG2 VAL 94 - HB3 LEU 90 5.000% * 0.0174% (0.32 1.0 0.02 0.02) = 0.017% QG2 ILE 68 - HB3 LEU 90 5.000% * 0.0174% (0.32 1.0 0.02 0.02) = 0.017% HG12 ILE 19 - HB3 LEU 90 5.000% * 0.0168% (0.30 1.0 0.02 0.29) = 0.017% QG2 THR 96 - HB3 LEU 90 5.000% * 0.0154% (0.28 1.0 0.02 0.02) = 0.015% HG LEU 74 - HB ILE 19 5.000% * 0.0152% (0.27 1.0 0.02 0.02) = 0.015% QG1 VAL 62 - HB3 LEU 90 5.000% * 0.0069% (0.12 1.0 0.02 0.02) = 0.007% HG LEU 74 - HB3 LEU 90 5.000% * 0.0056% (0.10 1.0 0.02 0.11) = 0.006% Peak 1672 (0.02, 1.57, 42.22 ppm): 2 chemical-shift based assignments, quality = 0.96, support = 6.4, residual support = 96.5: * O QG2 ILE 19 - HB ILE 19 50.000% * 99.9586% (0.96 10.0 6.41 96.53) = 99.959% kept QG2 ILE 19 - HB3 LEU 90 50.000% * 0.0414% (0.40 1.0 0.02 0.29) = 0.041% Peak 1674 (8.88, 1.62, 41.82 ppm): 3 chemical-shift based assignments, quality = 0.66, support = 6.09, residual support = 84.8: * O HN ILE 68 - HB ILE 68 33.333% * 91.4697% (0.64 10.0 6.54 92.61) = 91.470% kept HN ASP- 36 - HB ILE 68 33.333% * 8.5098% (0.90 1.0 1.32 0.69) = 8.510% kept HN GLN 102 - HB ILE 68 33.333% * 0.0205% (0.14 1.0 0.02 0.02) = 0.021% Peak 1675 (7.35, 2.80, 41.80 ppm): 14 chemical-shift based assignments, quality = 0.559, support = 2.29, residual support = 14.4: * HZ PHE 34 - HE3 LYS+ 32 7.143% * 28.5624% (0.63 2.93 21.84) = 28.562% kept QE PHE 34 - HE3 LYS+ 32 7.143% * 25.2628% (0.63 2.59 21.84) = 25.263% kept HZ2 TRP 51 - HE3 LYS+ 32 7.143% * 18.3754% (0.63 1.88 1.20) = 18.375% kept QD PHE 34 - HE3 LYS+ 32 7.143% * 10.8095% (0.24 2.89 21.84) = 10.809% kept HZ2 TRP 51 - HE3 LYS+ 111 7.143% * 7.9430% (0.67 0.76 0.02) = 7.943% kept HE22 GLN 102 - HE3 LYS+ 32 7.143% * 6.3746% (0.35 1.15 1.27) = 6.375% kept HE22 GLN 102 - HE3 LYS+ 111 7.143% * 1.7024% (0.38 0.29 0.02) = 1.702% kept HN VAL 47 - HE3 LYS+ 32 7.143% * 0.2980% (0.19 0.10 0.02) = 0.298% QE PHE 34 - HE3 LYS+ 111 7.143% * 0.2089% (0.67 0.02 0.02) = 0.209% HZ PHE 34 - HE3 LYS+ 111 7.143% * 0.2089% (0.67 0.02 0.02) = 0.209% QD PHE 34 - HE3 LYS+ 111 7.143% * 0.0800% (0.26 0.02 0.02) = 0.080% HN VAL 47 - HE3 LYS+ 111 7.143% * 0.0640% (0.21 0.02 0.02) = 0.064% HN ARG+ 84 - HE3 LYS+ 111 7.143% * 0.0569% (0.18 0.02 0.02) = 0.057% HN ARG+ 84 - HE3 LYS+ 32 7.143% * 0.0532% (0.17 0.02 0.02) = 0.053% Peak 1676 (4.98, 1.63, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.689, support = 4.75, residual support = 71.5: * O HA ILE 68 - HB ILE 68 25.000% * 75.1546% (0.64 10.0 5.38 92.61) = 75.155% kept HA SER 69 - HB ILE 68 25.000% * 17.1236% (0.94 1.0 3.13 10.87) = 17.124% kept HA MET 97 - HB ILE 68 25.000% * 7.6381% (0.61 1.0 2.16 0.46) = 7.638% kept HA PRO 31 - HB ILE 68 25.000% * 0.0836% (0.71 1.0 0.02 0.02) = 0.084% Peak 1679 (3.74, 1.16, 41.79 ppm): 4 chemical-shift based assignments, quality = 0.825, support = 4.05, residual support = 147.8: * O T HA LEU 43 - HB2 LEU 43 25.000% * 82.0265% (0.87 10.0 10.00 4.80 179.85) = 82.026% kept T HA LEU 43 - HB2 LEU 74 25.000% * 17.8345% (0.61 1.0 10.00 0.63 1.31) = 17.835% kept HD3 PRO 104 - HB2 LEU 43 25.000% * 0.0820% (0.87 1.0 1.00 0.02 0.02) = 0.082% HD3 PRO 104 - HB2 LEU 74 25.000% * 0.0570% (0.61 1.0 1.00 0.02 0.02) = 0.057% Peak 1682 (2.81, 2.80, 41.87 ppm): 2 diagonal assignments: * HE3 LYS+ 111 - HE3 LYS+ 111 (0.97) kept HE3 LYS+ 32 - HE3 LYS+ 32 (0.93) kept Peak 1683 (2.73, 2.73, 41.82 ppm): 1 diagonal assignment: * HB3 ASP- 115 - HB3 ASP- 115 (0.93) kept Peak 1684 (2.72, 2.54, 41.72 ppm): 3 chemical-shift based assignments, quality = 0.834, support = 2.0, residual support = 18.6: * O HB3 ASP- 115 - HB2 ASP- 115 33.333% * 99.8496% (0.84 10.0 2.00 18.67) = 99.850% kept HB3 PHE 21 - HB2 ASP- 115 33.333% * 0.1149% (0.96 1.0 0.02 0.14) = 0.115% HE3 LYS+ 120 - HB2 ASP- 115 33.333% * 0.0355% (0.30 1.0 0.02 0.02) = 0.036% Peak 1687 (2.62, 2.62, 41.91 ppm): 1 diagonal assignment: * HE3 LYS+ 20 - HE3 LYS+ 20 (0.38) kept Peak 1688 (2.55, 2.73, 41.78 ppm): 3 chemical-shift based assignments, quality = 0.539, support = 2.0, residual support = 18.7: * O T HB2 ASP- 115 - HB3 ASP- 115 33.333% * 99.9292% (0.54 10.0 10.00 2.00 18.67) = 99.929% kept HG2 PRO 112 - HB3 ASP- 115 33.333% * 0.0435% (0.24 1.0 1.00 0.02 0.02) = 0.044% HB2 ASP- 36 - HB3 ASP- 115 33.333% * 0.0272% (0.15 1.0 1.00 0.02 0.02) = 0.027% Peak 1694 (2.11, 1.16, 41.76 ppm): 28 chemical-shift based assignments, quality = 0.822, support = 4.71, residual support = 151.7: * O T HB3 LEU 43 - HB2 LEU 43 3.571% * 82.7015% (0.87 10.0 10.00 5.17 179.85) = 82.701% kept HB3 GLU- 75 - HB2 LEU 74 3.571% * 10.6346% (0.61 1.0 1.00 3.67 27.89) = 10.635% kept HG2 PRO 112 - HB2 LEU 74 3.571% * 2.7234% (0.54 1.0 1.00 1.06 0.48) = 2.723% kept HB3 GLU- 75 - HB2 LEU 43 3.571% * 2.4545% (0.84 1.0 1.00 0.61 0.02) = 2.454% kept T HB3 LEU 43 - HB2 LEU 74 3.571% * 0.6001% (0.63 1.0 10.00 0.02 1.31) = 0.600% HB VAL 87 - HB2 LEU 43 3.571% * 0.0763% (0.80 1.0 1.00 0.02 0.02) = 0.076% HB2 GLU- 56 - HB2 LEU 43 3.571% * 0.0742% (0.78 1.0 1.00 0.02 0.02) = 0.074% HG2 PRO 112 - HB2 LEU 43 3.571% * 0.0708% (0.75 1.0 1.00 0.02 0.02) = 0.071% HB VAL 65 - HB2 LEU 43 3.571% * 0.0632% (0.67 1.0 1.00 0.02 0.02) = 0.063% HB VAL 105 - HB2 LEU 43 3.571% * 0.0568% (0.60 1.0 1.00 0.02 0.02) = 0.057% HB VAL 87 - HB2 LEU 74 3.571% * 0.0554% (0.58 1.0 1.00 0.02 0.02) = 0.055% HB2 GLU- 56 - HB2 LEU 74 3.571% * 0.0538% (0.57 1.0 1.00 0.02 0.02) = 0.054% HB2 MET 118 - HB2 LEU 43 3.571% * 0.0468% (0.49 1.0 1.00 0.02 0.02) = 0.047% HB VAL 65 - HB2 LEU 74 3.571% * 0.0459% (0.48 1.0 1.00 0.02 0.02) = 0.046% HB VAL 105 - HB2 LEU 74 3.571% * 0.0412% (0.43 1.0 1.00 0.02 0.02) = 0.041% HG2 GLU- 45 - HB2 LEU 43 3.571% * 0.0403% (0.42 1.0 1.00 0.02 0.02) = 0.040% HB VAL 125 - HB2 LEU 43 3.571% * 0.0340% (0.36 1.0 1.00 0.02 0.14) = 0.034% HB2 MET 118 - HB2 LEU 74 3.571% * 0.0340% (0.36 1.0 1.00 0.02 0.02) = 0.034% HG2 GLU- 45 - HB2 LEU 74 3.571% * 0.0292% (0.31 1.0 1.00 0.02 0.02) = 0.029% HB2 LYS+ 110 - HB2 LEU 43 3.571% * 0.0282% (0.30 1.0 1.00 0.02 0.11) = 0.028% HB VAL 125 - HB2 LEU 74 3.571% * 0.0247% (0.26 1.0 1.00 0.02 0.02) = 0.025% HD3 LYS+ 110 - HB2 LEU 43 3.571% * 0.0230% (0.24 1.0 1.00 0.02 0.11) = 0.023% HB2 LYS+ 110 - HB2 LEU 74 3.571% * 0.0205% (0.22 1.0 1.00 0.02 0.02) = 0.020% HB2 ASP- 28 - HB2 LEU 43 3.571% * 0.0184% (0.19 1.0 1.00 0.02 0.02) = 0.018% HD3 LYS+ 110 - HB2 LEU 74 3.571% * 0.0167% (0.18 1.0 1.00 0.02 0.02) = 0.017% HB2 ASP- 28 - HB2 LEU 74 3.571% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% HG2 GLN 16 - HB2 LEU 43 3.571% * 0.0112% (0.12 1.0 1.00 0.02 0.13) = 0.011% HG2 GLN 16 - HB2 LEU 74 3.571% * 0.0081% (0.09 1.0 1.00 0.02 0.02) = 0.008% Peak 1696 (1.59, 2.80, 41.88 ppm): 16 chemical-shift based assignments, quality = 0.887, support = 2.37, residual support = 36.7: * O HD3 LYS+ 32 - HE3 LYS+ 32 6.250% * 80.6165% (0.91 10.0 2.12 37.97) = 80.616% kept HB3 LYS+ 32 - HE3 LYS+ 32 6.250% * 15.9985% (0.88 1.0 4.09 37.97) = 15.999% kept HG2 LYS+ 110 - HE3 LYS+ 111 6.250% * 1.9825% (0.61 1.0 0.74 0.02) = 1.983% kept HB3 PRO 52 - HE3 LYS+ 32 6.250% * 0.6719% (0.79 1.0 0.19 0.02) = 0.672% HB3 PRO 52 - HE3 LYS+ 111 6.250% * 0.3596% (0.75 1.0 0.11 0.02) = 0.360% HD3 LYS+ 32 - HE3 LYS+ 111 6.250% * 0.0768% (0.87 1.0 0.02 0.02) = 0.077% HB3 LYS+ 32 - HE3 LYS+ 111 6.250% * 0.0747% (0.84 1.0 0.02 0.02) = 0.075% HG2 LYS+ 110 - HE3 LYS+ 32 6.250% * 0.0565% (0.64 1.0 0.02 0.02) = 0.056% HG3 LYS+ 78 - HE3 LYS+ 32 6.250% * 0.0270% (0.30 1.0 0.02 0.02) = 0.027% HG3 LYS+ 78 - HE3 LYS+ 111 6.250% * 0.0257% (0.29 1.0 0.02 0.02) = 0.026% HB ILE 19 - HE3 LYS+ 32 6.250% * 0.0218% (0.25 1.0 0.02 0.49) = 0.022% HB ILE 19 - HE3 LYS+ 111 6.250% * 0.0208% (0.23 1.0 0.02 0.02) = 0.021% HG LEU 17 - HE3 LYS+ 32 6.250% * 0.0194% (0.22 1.0 0.02 0.59) = 0.019% HG LEU 17 - HE3 LYS+ 111 6.250% * 0.0185% (0.21 1.0 0.02 0.02) = 0.019% HD3 LYS+ 60 - HE3 LYS+ 32 6.250% * 0.0153% (0.17 1.0 0.02 0.16) = 0.015% HD3 LYS+ 60 - HE3 LYS+ 111 6.250% * 0.0146% (0.16 1.0 0.02 0.02) = 0.015% Peak 1697 (1.63, 2.10, 41.79 ppm): 10 chemical-shift based assignments, quality = 0.777, support = 5.1, residual support = 178.7: * O T HG LEU 43 - HB3 LEU 43 10.000% * 99.3528% (0.78 10.0 10.00 5.14 179.85) = 99.353% kept HG LEU 23 - HB3 LEU 43 10.000% * 0.1083% (0.85 1.0 1.00 0.02 0.02) = 0.108% HG12 ILE 101 - HB3 LEU 43 10.000% * 0.1027% (0.81 1.0 1.00 0.02 0.02) = 0.103% HB VAL 122 - HB3 LEU 43 10.000% * 0.0994% (0.78 1.0 1.00 0.02 0.02) = 0.099% HB ILE 68 - HB3 LEU 43 10.000% * 0.0994% (0.78 1.0 1.00 0.02 0.61) = 0.099% HG2 ARG+ 22 - HB3 LEU 43 10.000% * 0.0875% (0.69 1.0 1.00 0.02 0.14) = 0.088% HG3 LYS+ 78 - HB3 LEU 43 10.000% * 0.0695% (0.55 1.0 1.00 0.02 0.02) = 0.069% HG2 LYS+ 110 - HB3 LEU 43 10.000% * 0.0318% (0.25 1.0 1.00 0.02 0.11) = 0.032% HG3 ARG+ 84 - HB3 LEU 43 10.000% * 0.0286% (0.22 1.0 1.00 0.02 0.02) = 0.029% HB3 PRO 52 - HB3 LEU 43 10.000% * 0.0201% (0.16 1.0 1.00 0.02 0.02) = 0.020% Peak 1698 (1.44, 2.75, 41.95 ppm): 14 chemical-shift based assignments, quality = 0.294, support = 0.532, residual support = 0.187: HG3 ARG+ 22 - HB3 ASP- 115 7.143% * 39.6725% (0.32 0.74 0.44) = 39.672% kept HG3 LYS+ 113 - HB3 ASP- 115 7.143% * 30.1920% (0.35 0.53 0.02) = 30.192% kept HG2 PRO 59 - HB3 ASP- 115 7.143% * 13.5792% (0.21 0.39 0.02) = 13.579% kept HG3 LYS+ 60 - HB3 ASP- 115 7.143% * 9.7268% (0.21 0.28 0.02) = 9.727% kept HG LEU 90 - HB3 ASP- 115 7.143% * 1.2407% (0.37 0.02 0.02) = 1.241% kept HG3 LYS+ 55 - HB3 ASP- 115 7.143% * 1.0762% (0.32 0.02 0.02) = 1.076% kept HD3 LYS+ 113 - HB3 ASP- 115 7.143% * 1.0363% (0.31 0.02 0.02) = 1.036% kept QG2 THR 38 - HB3 ASP- 115 7.143% * 0.9009% (0.27 0.02 0.02) = 0.901% QB ALA 91 - HB3 ASP- 115 7.143% * 0.8026% (0.24 0.02 0.02) = 0.803% HD3 LYS+ 44 - HB3 ASP- 115 7.143% * 0.6528% (0.20 0.02 0.02) = 0.653% HG13 ILE 48 - HB3 ASP- 115 7.143% * 0.4657% (0.14 0.02 0.62) = 0.466% HG3 PRO 52 - HB3 ASP- 115 7.143% * 0.2455% (0.07 0.02 0.02) = 0.246% QB ALA 37 - HB3 ASP- 115 7.143% * 0.2173% (0.07 0.02 0.02) = 0.217% HB3 LEU 67 - HB3 ASP- 115 7.143% * 0.1914% (0.06 0.02 0.02) = 0.191% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1699 (1.39, 2.62, 42.03 ppm): 11 chemical-shift based assignments, quality = 0.659, support = 1.35, residual support = 33.8: * O HD3 LYS+ 20 - HE3 LYS+ 20 9.091% * 93.8557% (0.69 10.0 1.23 34.11) = 93.856% kept HB3 LYS+ 20 - HE3 LYS+ 20 9.091% * 5.3615% (0.14 1.0 3.49 34.11) = 5.361% kept HG13 ILE 68 - HE3 LYS+ 20 9.091% * 0.1346% (0.61 1.0 0.02 0.02) = 0.135% HG13 ILE 100 - HE3 LYS+ 20 9.091% * 0.1127% (0.51 1.0 0.02 0.02) = 0.113% QB ALA 93 - HE3 LYS+ 20 9.091% * 0.1127% (0.51 1.0 0.02 0.11) = 0.113% QG2 THR 39 - HE3 LYS+ 20 9.091% * 0.1066% (0.49 1.0 0.02 0.50) = 0.107% HG LEU 67 - HE3 LYS+ 20 9.091% * 0.1066% (0.49 1.0 0.02 0.02) = 0.107% HG2 LYS+ 78 - HE3 LYS+ 20 9.091% * 0.0755% (0.34 1.0 0.02 0.02) = 0.076% QB ALA 37 - HE3 LYS+ 20 9.091% * 0.0755% (0.34 1.0 0.02 0.02) = 0.076% QB ALA 11 - HE3 LYS+ 20 9.091% * 0.0346% (0.16 1.0 0.02 0.02) = 0.035% HD3 LYS+ 44 - HE3 LYS+ 20 9.091% * 0.0239% (0.11 1.0 0.02 0.02) = 0.024% Peak 1701 (1.20, 1.28, 41.97 ppm): 6 chemical-shift based assignments, quality = 0.391, support = 5.0, residual support = 142.8: * O HB2 LEU 74 - HB3 LEU 74 16.667% * 88.6252% (0.38 10.0 5.36 158.96) = 88.625% kept HB2 LEU 67 - HB3 LEU 74 16.667% * 11.1994% (0.45 1.0 2.17 17.09) = 11.199% kept HB3 ARG+ 22 - HB3 LEU 74 16.667% * 0.0749% (0.32 1.0 0.02 0.02) = 0.075% QG2 THR 106 - HB3 LEU 74 16.667% * 0.0405% (0.18 1.0 0.02 0.02) = 0.041% HG12 ILE 100 - HB3 LEU 74 16.667% * 0.0319% (0.14 1.0 0.02 0.02) = 0.032% HB2 LEU 43 - HB3 LEU 74 16.667% * 0.0281% (0.12 1.0 0.02 1.31) = 0.028% Peak 1705 (1.17, 2.10, 41.75 ppm): 5 chemical-shift based assignments, quality = 0.836, support = 5.12, residual support = 178.2: * O T HB2 LEU 43 - HB3 LEU 43 20.000% * 99.0775% (0.84 10.0 10.00 5.17 179.85) = 99.078% kept T HB2 LEU 74 - HB3 LEU 43 20.000% * 0.6866% (0.58 1.0 10.00 0.02 1.31) = 0.687% HG3 PRO 59 - HB3 LEU 43 20.000% * 0.0965% (0.82 1.0 1.00 0.02 0.02) = 0.096% QG2 THR 106 - HB3 LEU 43 20.000% * 0.0946% (0.81 1.0 1.00 0.02 0.02) = 0.095% QB ALA 33 - HB3 LEU 43 20.000% * 0.0448% (0.38 1.0 1.00 0.02 0.02) = 0.045% Peak 1706 (0.87, 1.17, 41.85 ppm): 14 chemical-shift based assignments, quality = 0.456, support = 1.19, residual support = 3.78: QG2 VAL 40 - HB2 LEU 74 7.143% * 26.3478% (0.14 3.39 11.48) = 26.348% kept QG2 VAL 125 - HB2 LEU 43 7.143% * 16.4662% (0.76 0.40 0.14) = 16.466% kept QG2 ILE 100 - HB2 LEU 74 7.143% * 14.0498% (0.87 0.29 0.02) = 14.050% kept QG2 VAL 125 - HB2 LEU 74 7.143% * 11.4721% (0.70 0.30 0.02) = 11.472% kept * QG2 VAL 40 - HB2 LEU 43 7.143% * 8.6735% (0.15 1.04 4.76) = 8.673% kept QG1 VAL 80 - HB2 LEU 43 7.143% * 7.5746% (0.41 0.34 4.17) = 7.575% kept QG1 VAL 80 - HB2 LEU 74 7.143% * 7.4593% (0.38 0.36 0.02) = 7.459% kept QG2 VAL 13 - HB2 LEU 74 7.143% * 4.4406% (0.21 0.40 0.02) = 4.441% kept QG2 ILE 100 - HB2 LEU 43 7.143% * 1.0231% (0.94 0.02 0.02) = 1.023% kept QD1 LEU 90 - HB2 LEU 43 7.143% * 0.9984% (0.91 0.02 0.02) = 0.998% QD1 LEU 90 - HB2 LEU 74 7.143% * 0.9313% (0.85 0.02 0.11) = 0.931% QG2 VAL 13 - HB2 LEU 43 7.143% * 0.2408% (0.22 0.02 0.02) = 0.241% QG2 VAL 87 - HB2 LEU 43 7.143% * 0.1669% (0.15 0.02 0.02) = 0.167% QG2 VAL 87 - HB2 LEU 74 7.143% * 0.1557% (0.14 0.02 0.02) = 0.156% Peak 1707 (0.75, 2.86, 42.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1708 (0.73, 2.76, 42.04 ppm): 10 chemical-shift based assignments, quality = 0.125, support = 0.354, residual support = 0.452: QG2 ILE 48 - HB3 ASP- 115 10.000% * 72.1000% (0.12 0.48 0.62) = 72.100% kept QG1 VAL 40 - HB3 ASP- 115 10.000% * 4.4123% (0.17 0.02 0.02) = 4.412% kept QD1 ILE 68 - HB3 ASP- 115 10.000% * 4.4025% (0.17 0.02 0.02) = 4.402% kept QG2 VAL 65 - HB3 ASP- 115 10.000% * 4.3249% (0.17 0.02 0.02) = 4.325% kept HG3 LYS+ 44 - HB3 ASP- 115 10.000% * 3.5331% (0.14 0.02 0.02) = 3.533% kept HG3 LYS+ 66 - HB3 ASP- 115 10.000% * 3.5331% (0.14 0.02 0.02) = 3.533% kept HG LEU 74 - HB3 ASP- 115 10.000% * 3.3720% (0.13 0.02 0.02) = 3.372% kept QG2 ILE 101 - HB3 ASP- 115 10.000% * 2.4146% (0.10 0.02 0.02) = 2.415% kept QG2 THR 96 - HB3 ASP- 115 10.000% * 1.2268% (0.05 0.02 0.02) = 1.227% kept QG1 VAL 65 - HB3 ASP- 115 10.000% * 0.6808% (0.03 0.02 0.02) = 0.681% Not enough quality. Peak unassigned. Peak 1709 (0.73, 1.28, 41.94 ppm): 9 chemical-shift based assignments, quality = 0.558, support = 4.44, residual support = 125.3: * O HG LEU 74 - HB3 LEU 74 11.111% * 77.6130% (0.51 10.0 5.13 158.96) = 77.613% kept QG1 VAL 40 - HB3 LEU 74 11.111% * 16.3576% (0.81 1.0 2.65 11.48) = 16.358% kept QD1 ILE 68 - HB3 LEU 74 11.111% * 3.1938% (0.82 1.0 0.51 1.07) = 3.194% kept QG2 ILE 101 - HB3 LEU 74 11.111% * 1.4652% (0.38 1.0 0.50 0.02) = 1.465% kept QG2 ILE 48 - HB3 LEU 74 11.111% * 0.9840% (0.53 1.0 0.24 0.02) = 0.984% QG2 VAL 65 - HB3 LEU 74 11.111% * 0.1277% (0.84 1.0 0.02 0.02) = 0.128% HG3 LYS+ 44 - HB3 LEU 74 11.111% * 0.1181% (0.77 1.0 0.02 0.61) = 0.118% HG3 LYS+ 66 - HB3 LEU 74 11.111% * 0.1181% (0.77 1.0 0.02 0.11) = 0.118% QG2 THR 96 - HB3 LEU 74 11.111% * 0.0224% (0.15 1.0 0.02 0.02) = 0.022% Peak 1710 (0.74, 1.17, 41.89 ppm): 16 chemical-shift based assignments, quality = 0.614, support = 4.13, residual support = 91.5: O HG LEU 74 - HB2 LEU 74 6.250% * 52.8529% (0.43 10.0 5.49 158.96) = 52.853% kept HG3 LYS+ 44 - HB2 LEU 43 6.250% * 21.7071% (0.95 1.0 3.75 27.76) = 21.707% kept QG1 VAL 40 - HB2 LEU 74 6.250% * 11.6010% (0.80 1.0 2.38 11.48) = 11.601% kept QG2 ILE 48 - HB2 LEU 43 6.250% * 6.3121% (0.58 1.0 1.80 1.60) = 6.312% kept HG3 LYS+ 66 - HB2 LEU 43 6.250% * 1.7990% (0.95 1.0 0.31 0.02) = 1.799% kept QD1 ILE 68 - HB2 LEU 74 6.250% * 1.5634% (0.82 1.0 0.31 1.07) = 1.563% kept QD1 ILE 68 - HB2 LEU 43 6.250% * 1.1397% (0.90 1.0 0.21 0.61) = 1.140% kept QG2 ILE 101 - HB2 LEU 43 6.250% * 1.0905% (0.38 1.0 0.47 0.02) = 1.091% kept QG2 ILE 101 - HB2 LEU 74 6.250% * 1.0540% (0.35 1.0 0.50 0.02) = 1.054% kept QG2 ILE 48 - HB2 LEU 74 6.250% * 0.2852% (0.53 1.0 0.09 0.02) = 0.285% QG2 VAL 65 - HB2 LEU 43 6.250% * 0.1140% (0.94 1.0 0.02 0.02) = 0.114% HG3 LYS+ 44 - HB2 LEU 74 6.250% * 0.1064% (0.88 1.0 0.02 0.61) = 0.106% HG3 LYS+ 66 - HB2 LEU 74 6.250% * 0.1064% (0.88 1.0 0.02 0.11) = 0.106% * QG1 VAL 40 - HB2 LEU 43 6.250% * 0.1060% (0.87 1.0 0.02 4.76) = 0.106% QG2 VAL 65 - HB2 LEU 74 6.250% * 0.1048% (0.86 1.0 0.02 0.02) = 0.105% HG LEU 74 - HB2 LEU 43 6.250% * 0.0575% (0.47 1.0 0.02 1.31) = 0.058% Reference assignment eliminated. Peak 1711 (0.70, 1.62, 41.87 ppm): 10 chemical-shift based assignments, quality = 0.746, support = 3.07, residual support = 71.5: * O T QG2 ILE 68 - HB ILE 68 10.000% * 77.1422% (0.68 10.0 10.00 3.87 92.61) = 77.142% kept T QG2 ILE 101 - HB ILE 68 10.000% * 21.2347% (0.99 1.0 10.00 0.38 0.10) = 21.235% kept QG2 ILE 48 - HB ILE 68 10.000% * 1.0992% (0.95 1.0 1.00 0.21 0.02) = 1.099% kept QG1 VAL 65 - HB ILE 68 10.000% * 0.1121% (0.99 1.0 1.00 0.02 1.17) = 0.112% QG2 THR 96 - HB ILE 68 10.000% * 0.1037% (0.92 1.0 1.00 0.02 0.02) = 0.104% QD1 ILE 19 - HB ILE 68 10.000% * 0.0858% (0.76 1.0 1.00 0.02 0.02) = 0.086% QG2 VAL 94 - HB ILE 68 10.000% * 0.0771% (0.68 1.0 1.00 0.02 0.02) = 0.077% HG12 ILE 19 - HB ILE 68 10.000% * 0.0726% (0.64 1.0 1.00 0.02 0.02) = 0.073% HG LEU 74 - HB ILE 68 10.000% * 0.0503% (0.44 1.0 1.00 0.02 1.07) = 0.050% QG1 VAL 62 - HB ILE 68 10.000% * 0.0222% (0.20 1.0 1.00 0.02 0.02) = 0.022% Peak 1712 (0.49, 2.10, 41.75 ppm): 2 chemical-shift based assignments, quality = 0.662, support = 4.84, residual support = 160.6: * O T QD2 LEU 43 - HB3 LEU 43 50.000% * 89.2394% (0.72 10.0 10.00 5.30 179.85) = 89.239% kept T QD2 LEU 74 - HB3 LEU 43 50.000% * 10.7606% (0.17 1.0 10.00 1.02 1.31) = 10.761% kept Peak 1713 (0.47, 1.17, 41.84 ppm): 4 chemical-shift based assignments, quality = 0.776, support = 4.56, residual support = 139.5: * O T QD2 LEU 43 - HB2 LEU 43 25.000% * 51.8204% (0.97 10.0 10.00 5.30 179.85) = 51.820% kept O T QD2 LEU 74 - HB2 LEU 74 25.000% * 28.9956% (0.55 10.0 10.00 5.52 158.96) = 28.996% kept T QD2 LEU 74 - HB2 LEU 43 25.000% * 18.7154% (0.60 1.0 10.00 1.17 1.31) = 18.715% kept T QD2 LEU 43 - HB2 LEU 74 25.000% * 0.4686% (0.88 1.0 10.00 0.02 1.31) = 0.469% Peak 1714 (-0.08, 1.17, 41.84 ppm): 2 chemical-shift based assignments, quality = 0.338, support = 5.61, residual support = 178.3: * O T QD1 LEU 43 - HB2 LEU 43 50.000% * 99.1530% (0.34 10.0 10.00 5.65 179.85) = 99.153% kept T QD1 LEU 43 - HB2 LEU 74 50.000% * 0.8470% (0.29 1.0 10.00 0.02 1.31) = 0.847% Peak 1715 (9.32, 1.92, 41.22 ppm): 2 chemical-shift based assignments, quality = 0.349, support = 5.16, residual support = 59.5: * O HN ILE 29 - HB ILE 29 50.000% * 96.0873% (0.36 10.0 5.25 61.32) = 96.087% kept HN ILE 29 - HB2 LEU 23 50.000% * 3.9127% (0.10 1.0 2.95 14.52) = 3.913% kept Peak 1717 (2.54, 2.54, 41.71 ppm): 1 diagonal assignment: * HB2 ASP- 115 - HB2 ASP- 115 (0.95) kept Peak 1722 (1.92, 1.73, 41.57 ppm): 13 chemical-shift based assignments, quality = 0.853, support = 3.39, residual support = 85.7: * O T HB2 LEU 23 - HB3 LEU 23 7.692% * 67.5271% (0.86 10.0 10.00 4.60 120.20) = 67.527% kept T HB ILE 29 - HB3 LEU 23 7.692% * 31.0677% (0.86 1.0 10.00 0.91 14.52) = 31.068% kept HB2 PRO 112 - HB3 LEU 23 7.692% * 1.0744% (0.58 1.0 1.00 0.47 0.02) = 1.074% kept HD3 LYS+ 63 - HB3 LEU 23 7.692% * 0.0552% (0.70 1.0 1.00 0.02 0.02) = 0.055% HB2 GLU- 10 - HB3 LEU 23 7.692% * 0.0526% (0.67 1.0 1.00 0.02 0.02) = 0.053% HB2 PRO 116 - HB3 LEU 23 7.692% * 0.0526% (0.67 1.0 1.00 0.02 0.02) = 0.053% HB3 GLN 102 - HB3 LEU 23 7.692% * 0.0418% (0.53 1.0 1.00 0.02 0.96) = 0.042% HB2 GLU- 75 - HB3 LEU 23 7.692% * 0.0309% (0.39 1.0 1.00 0.02 0.02) = 0.031% HB3 ARG+ 53 - HB3 LEU 23 7.692% * 0.0235% (0.30 1.0 1.00 0.02 0.20) = 0.023% HG2 PRO 112 - HB3 LEU 23 7.692% * 0.0225% (0.28 1.0 1.00 0.02 0.02) = 0.022% HB3 LYS+ 55 - HB3 LEU 23 7.692% * 0.0192% (0.24 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 31 - HB3 LEU 23 7.692% * 0.0172% (0.22 1.0 1.00 0.02 0.02) = 0.017% HB3 CYS 123 - HB3 LEU 23 7.692% * 0.0153% (0.19 1.0 1.00 0.02 0.02) = 0.015% Peak 1723 (1.73, 1.93, 41.56 ppm): 12 chemical-shift based assignments, quality = 0.498, support = 4.31, residual support = 111.6: * O T HB3 LEU 23 - HB2 LEU 23 8.333% * 92.6163% (0.50 10.0 10.00 4.60 120.20) = 92.616% kept HB2 GLN 16 - HB2 LEU 23 8.333% * 4.4446% (0.73 1.0 1.00 0.66 0.02) = 4.445% kept HB2 LEU 17 - HB ILE 29 8.333% * 1.4496% (0.09 1.0 1.00 1.71 17.08) = 1.450% kept HB2 GLN 16 - HB ILE 29 8.333% * 0.7648% (0.28 1.0 1.00 0.29 0.02) = 0.765% T HB3 LEU 23 - HB ILE 29 8.333% * 0.3570% (0.19 1.0 10.00 0.02 14.52) = 0.357% HB ILE 48 - HB2 LEU 23 8.333% * 0.1209% (0.65 1.0 1.00 0.02 0.33) = 0.121% HB2 LYS+ 117 - HB2 LEU 23 8.333% * 0.0857% (0.46 1.0 1.00 0.02 0.02) = 0.086% HB ILE 48 - HB ILE 29 8.333% * 0.0466% (0.25 1.0 1.00 0.02 1.84) = 0.047% HB2 LEU 17 - HB2 LEU 23 8.333% * 0.0439% (0.24 1.0 1.00 0.02 0.13) = 0.044% HB2 LYS+ 117 - HB ILE 29 8.333% * 0.0330% (0.18 1.0 1.00 0.02 0.02) = 0.033% HD3 PRO 59 - HB2 LEU 23 8.333% * 0.0272% (0.15 1.0 1.00 0.02 0.02) = 0.027% HD3 PRO 59 - HB ILE 29 8.333% * 0.0105% (0.06 1.0 1.00 0.02 0.02) = 0.010% Peak 1724 (1.74, 1.73, 41.57 ppm): 1 diagonal assignment: * HB3 LEU 23 - HB3 LEU 23 (0.83) kept Peak 1725 (7.54, 2.64, 41.23 ppm): 6 chemical-shift based assignments, quality = 0.531, support = 4.67, residual support = 34.7: * O HN ASP- 82 - HB3 ASP- 82 16.667% * 99.8421% (0.53 10.0 4.68 34.80) = 99.842% kept HN VAL 65 - HB3 ASP- 82 16.667% * 0.0544% (0.29 1.0 0.02 0.02) = 0.054% HD22 ASN 119 - HB3 ASP- 82 16.667% * 0.0544% (0.29 1.0 0.02 0.02) = 0.054% HN ASP- 82 - HB3 ASP- 36 16.667% * 0.0234% (0.12 1.0 0.02 0.02) = 0.023% HN VAL 65 - HB3 ASP- 36 16.667% * 0.0128% (0.07 1.0 0.02 0.02) = 0.013% HD22 ASN 119 - HB3 ASP- 36 16.667% * 0.0128% (0.07 1.0 0.02 0.02) = 0.013% Peak 1726 (7.55, 2.17, 41.26 ppm): 3 chemical-shift based assignments, quality = 0.245, support = 4.08, residual support = 34.4: * O HN ASP- 82 - HB2 ASP- 82 33.333% * 98.8938% (0.25 10.0 4.13 34.80) = 98.894% kept HN VAL 65 - HB2 ASP- 82 33.333% * 0.8905% (0.54 1.0 0.08 0.02) = 0.890% HD22 ASN 119 - HB2 ASP- 82 33.333% * 0.2157% (0.54 1.0 0.02 0.02) = 0.216% Peak 1727 (4.22, 2.65, 41.19 ppm): 28 chemical-shift based assignments, quality = 0.48, support = 2.92, residual support = 31.3: * O T HA ASP- 82 - HB3 ASP- 82 3.571% * 89.7984% (0.48 10.0 10.00 3.23 34.80) = 89.798% kept HA GLU- 54 - HB3 ASP- 82 3.571% * 3.2774% (0.63 1.0 1.00 0.55 0.62) = 3.277% kept T HA GLU- 12 - HB3 ASP- 82 3.571% * 1.7030% (0.91 1.0 10.00 0.02 0.10) = 1.703% kept T HA GLU- 10 - HB3 ASP- 82 3.571% * 1.1934% (0.63 1.0 10.00 0.02 0.02) = 1.193% kept T HA LYS+ 108 - HB3 ASP- 82 3.571% * 1.1934% (0.63 1.0 10.00 0.02 0.02) = 1.193% kept T HA GLU- 12 - HB3 ASP- 36 3.571% * 0.5925% (0.32 1.0 10.00 0.02 0.02) = 0.593% T HA GLU- 10 - HB3 ASP- 36 3.571% * 0.4152% (0.22 1.0 10.00 0.02 0.02) = 0.415% T HA LYS+ 108 - HB3 ASP- 36 3.571% * 0.4152% (0.22 1.0 10.00 0.02 0.02) = 0.415% T HA ASP- 82 - HB3 ASP- 36 3.571% * 0.3124% (0.17 1.0 10.00 0.02 0.02) = 0.312% HA GLU- 109 - HB3 ASP- 82 3.571% * 0.1829% (0.97 1.0 1.00 0.02 0.02) = 0.183% HA SER 49 - HB3 ASP- 82 3.571% * 0.1655% (0.88 1.0 1.00 0.02 0.02) = 0.165% HA ALA 42 - HB3 ASP- 82 3.571% * 0.1541% (0.82 1.0 1.00 0.02 0.02) = 0.154% HB3 SER 49 - HB3 ASP- 82 3.571% * 0.0979% (0.52 1.0 1.00 0.02 0.02) = 0.098% HA PRO 59 - HB3 ASP- 82 3.571% * 0.0692% (0.37 1.0 1.00 0.02 0.02) = 0.069% HA GLU- 109 - HB3 ASP- 36 3.571% * 0.0636% (0.34 1.0 1.00 0.02 0.02) = 0.064% HA SER 49 - HB3 ASP- 36 3.571% * 0.0576% (0.31 1.0 1.00 0.02 0.02) = 0.058% HA ALA 42 - HB3 ASP- 36 3.571% * 0.0536% (0.29 1.0 1.00 0.02 0.02) = 0.054% HA GLU- 54 - HB3 ASP- 36 3.571% * 0.0415% (0.22 1.0 1.00 0.02 0.02) = 0.042% HA ALA 11 - HB3 ASP- 82 3.571% * 0.0365% (0.19 1.0 1.00 0.02 0.02) = 0.037% HB3 SER 49 - HB3 ASP- 36 3.571% * 0.0341% (0.18 1.0 1.00 0.02 0.02) = 0.034% HA ASN 76 - HB3 ASP- 82 3.571% * 0.0285% (0.15 1.0 1.00 0.02 0.02) = 0.028% HA ASN 119 - HB3 ASP- 82 3.571% * 0.0250% (0.13 1.0 1.00 0.02 0.02) = 0.025% HA GLU- 107 - HB3 ASP- 82 3.571% * 0.0250% (0.13 1.0 1.00 0.02 0.02) = 0.025% HA PRO 59 - HB3 ASP- 36 3.571% * 0.0241% (0.13 1.0 1.00 0.02 0.02) = 0.024% HA ALA 11 - HB3 ASP- 36 3.571% * 0.0127% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA ASN 76 - HB3 ASP- 36 3.571% * 0.0099% (0.05 1.0 1.00 0.02 0.02) = 0.010% HA ASN 119 - HB3 ASP- 36 3.571% * 0.0087% (0.05 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 107 - HB3 ASP- 36 3.571% * 0.0087% (0.05 1.0 1.00 0.02 0.02) = 0.009% Peak 1728 (4.21, 2.17, 41.22 ppm): 11 chemical-shift based assignments, quality = 0.862, support = 3.02, residual support = 34.7: * O HA ASP- 82 - HB2 ASP- 82 9.091% * 99.6524% (0.86 10.0 3.03 34.80) = 99.652% kept HA GLU- 12 - HB2 ASP- 82 9.091% * 0.0849% (0.74 1.0 0.02 0.10) = 0.085% HB3 SER 49 - HB2 ASP- 82 9.091% * 0.0676% (0.59 1.0 0.02 0.02) = 0.068% HA GLU- 109 - HB2 ASP- 82 9.091% * 0.0535% (0.46 1.0 0.02 0.02) = 0.053% HA SER 49 - HB2 ASP- 82 9.091% * 0.0347% (0.30 1.0 0.02 0.02) = 0.035% HA ALA 42 - HB2 ASP- 82 9.091% * 0.0283% (0.25 1.0 0.02 0.02) = 0.028% HA VAL 65 - HB2 ASP- 82 9.091% * 0.0178% (0.15 1.0 0.02 0.02) = 0.018% HA LYS+ 108 - HB2 ASP- 82 9.091% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% HA GLU- 10 - HB2 ASP- 82 9.091% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% HA GLU- 54 - HB2 ASP- 82 9.091% * 0.0157% (0.14 1.0 0.02 0.62) = 0.016% HA VAL 73 - HB2 ASP- 82 9.091% * 0.0138% (0.12 1.0 0.02 0.02) = 0.014% Peak 1730 (2.97, 1.92, 41.19 ppm): 8 chemical-shift based assignments, quality = 0.801, support = 4.01, residual support = 26.2: * T HB2 PHE 21 - HB ILE 29 12.500% * 83.7325% (0.90 10.00 4.56 30.76) = 83.732% kept T HB2 PHE 21 - HB2 LEU 23 12.500% * 13.2576% (0.21 10.00 1.35 3.50) = 13.258% kept HE3 LYS+ 113 - HB ILE 29 12.500% * 1.7990% (0.75 1.00 0.51 0.02) = 1.799% kept HE2 LYS+ 117 - HB ILE 29 12.500% * 1.1241% (0.72 1.00 0.33 0.02) = 1.124% kept HE3 LYS+ 55 - HB ILE 29 12.500% * 0.0442% (0.47 1.00 0.02 0.02) = 0.044% HE3 LYS+ 113 - HB2 LEU 23 12.500% * 0.0165% (0.18 1.00 0.02 0.80) = 0.016% HE2 LYS+ 117 - HB2 LEU 23 12.500% * 0.0158% (0.17 1.00 0.02 0.02) = 0.016% HE3 LYS+ 55 - HB2 LEU 23 12.500% * 0.0104% (0.11 1.00 0.02 0.02) = 0.010% Peak 1732 (2.65, 2.17, 41.24 ppm): 5 chemical-shift based assignments, quality = 0.897, support = 3.26, residual support = 34.7: * O HB3 ASP- 82 - HB2 ASP- 82 20.000% * 99.8209% (0.90 10.0 3.27 34.80) = 99.821% kept HB3 ASP- 36 - HB2 ASP- 82 20.000% * 0.0965% (0.87 1.0 0.02 0.02) = 0.097% HE2 LYS+ 120 - HB2 ASP- 82 20.000% * 0.0449% (0.40 1.0 0.02 0.02) = 0.045% HB2 ASP- 25 - HB2 ASP- 82 20.000% * 0.0223% (0.20 1.0 0.02 0.02) = 0.022% HE3 LYS+ 20 - HB2 ASP- 82 20.000% * 0.0154% (0.14 1.0 0.02 0.02) = 0.015% Peak 1733 (2.17, 2.65, 41.23 ppm): 20 chemical-shift based assignments, quality = 0.916, support = 3.1, residual support = 32.6: * O T HB2 ASP- 82 - HB3 ASP- 82 5.000% * 93.6311% (0.94 10.0 10.00 3.27 34.80) = 93.631% kept HG2 PRO 112 - HB3 ASP- 82 5.000% * 3.3438% (0.96 1.0 1.00 0.70 0.02) = 3.344% kept HG2 PRO 112 - HB3 ASP- 36 5.000% * 1.3014% (0.24 1.0 1.00 1.09 1.41) = 1.301% kept HG2 PRO 104 - HB3 ASP- 82 5.000% * 0.7207% (0.86 1.0 1.00 0.17 0.02) = 0.721% HG2 GLN 102 - HB3 ASP- 82 5.000% * 0.3630% (0.96 1.0 1.00 0.08 0.02) = 0.363% T HB2 ASP- 82 - HB3 ASP- 36 5.000% * 0.2319% (0.23 1.0 10.00 0.02 0.02) = 0.232% HB3 PRO 104 - HB3 ASP- 82 5.000% * 0.0793% (0.80 1.0 1.00 0.02 0.02) = 0.079% HB VAL 99 - HB3 ASP- 82 5.000% * 0.0756% (0.76 1.0 1.00 0.02 0.02) = 0.076% HB VAL 47 - HB3 ASP- 82 5.000% * 0.0407% (0.41 1.0 1.00 0.02 1.25) = 0.041% HB3 GLU- 75 - HB3 ASP- 82 5.000% * 0.0404% (0.41 1.0 1.00 0.02 0.02) = 0.040% HB3 LYS+ 78 - HB3 ASP- 82 5.000% * 0.0275% (0.28 1.0 1.00 0.02 0.92) = 0.028% HG2 MET 126 - HB3 ASP- 82 5.000% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% HG2 GLN 102 - HB3 ASP- 36 5.000% * 0.0237% (0.24 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 104 - HB3 ASP- 36 5.000% * 0.0213% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 104 - HB3 ASP- 36 5.000% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB VAL 99 - HB3 ASP- 36 5.000% * 0.0187% (0.19 1.0 1.00 0.02 0.02) = 0.019% HB VAL 47 - HB3 ASP- 36 5.000% * 0.0101% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB3 GLU- 75 - HB3 ASP- 36 5.000% * 0.0100% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB3 LYS+ 78 - HB3 ASP- 36 5.000% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HG2 MET 126 - HB3 ASP- 36 5.000% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% Peak 1734 (2.17, 2.17, 41.26 ppm): 1 diagonal assignment: * HB2 ASP- 82 - HB2 ASP- 82 (0.74) kept Peak 1735 (1.92, 1.92, 41.31 ppm): 2 diagonal assignments: * HB ILE 29 - HB ILE 29 (0.98) kept HB2 LEU 23 - HB2 LEU 23 (0.47) kept Peak 1736 (0.95, 1.92, 41.22 ppm): 20 chemical-shift based assignments, quality = 0.913, support = 4.68, residual support = 59.4: * O QG2 ILE 29 - HB ILE 29 5.000% * 95.8065% (0.93 10.0 4.83 61.32) = 95.806% kept QD1 LEU 17 - HB ILE 29 5.000% * 3.6028% (0.50 1.0 1.40 17.08) = 3.603% kept QG2 VAL 73 - HB ILE 29 5.000% * 0.0943% (0.92 1.0 0.02 0.02) = 0.094% QG2 VAL 62 - HB ILE 29 5.000% * 0.0877% (0.85 1.0 0.02 0.02) = 0.088% QG2 VAL 99 - HB ILE 29 5.000% * 0.0877% (0.85 1.0 0.02 0.02) = 0.088% QG1 VAL 105 - HB ILE 29 5.000% * 0.0553% (0.54 1.0 0.02 0.38) = 0.055% QG2 VAL 105 - HB ILE 29 5.000% * 0.0476% (0.46 1.0 0.02 0.38) = 0.048% QG2 ILE 29 - HB2 LEU 23 5.000% * 0.0268% (0.26 1.0 0.02 14.52) = 0.027% QG2 VAL 73 - HB2 LEU 23 5.000% * 0.0264% (0.26 1.0 0.02 0.02) = 0.026% QG2 VAL 62 - HB2 LEU 23 5.000% * 0.0245% (0.24 1.0 0.02 0.02) = 0.024% QG2 VAL 99 - HB2 LEU 23 5.000% * 0.0245% (0.24 1.0 0.02 13.83) = 0.024% HG12 ILE 68 - HB ILE 29 5.000% * 0.0244% (0.24 1.0 0.02 0.02) = 0.024% HG3 LYS+ 110 - HB ILE 29 5.000% * 0.0193% (0.19 1.0 0.02 0.02) = 0.019% QG1 VAL 105 - HB2 LEU 23 5.000% * 0.0155% (0.15 1.0 0.02 0.12) = 0.015% QD1 LEU 17 - HB2 LEU 23 5.000% * 0.0144% (0.14 1.0 0.02 0.13) = 0.014% QG2 VAL 105 - HB2 LEU 23 5.000% * 0.0133% (0.13 1.0 0.02 0.12) = 0.013% QG2 VAL 80 - HB ILE 29 5.000% * 0.0132% (0.13 1.0 0.02 0.02) = 0.013% HG12 ILE 68 - HB2 LEU 23 5.000% * 0.0068% (0.07 1.0 0.02 0.02) = 0.007% HG3 LYS+ 110 - HB2 LEU 23 5.000% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% QG2 VAL 80 - HB2 LEU 23 5.000% * 0.0037% (0.04 1.0 0.02 0.02) = 0.004% Peak 1738 (2.97, 2.66, 40.91 ppm): 8 chemical-shift based assignments, quality = 0.337, support = 0.142, residual support = 0.0423: HE3 LYS+ 55 - HB3 ASP- 82 12.500% * 22.0901% (0.09 0.34 0.12) = 22.090% kept HB2 PHE 21 - HB3 ASP- 82 12.500% * 21.7943% (0.25 0.12 0.02) = 21.794% kept HE2 LYS+ 117 - HB3 ASP- 82 12.500% * 19.3201% (0.16 0.17 0.02) = 19.320% kept HB2 PHE 21 - HB3 ASP- 36 12.500% * 12.5907% (0.88 0.02 0.02) = 12.591% kept HE3 LYS+ 113 - HB3 ASP- 36 12.500% * 8.8233% (0.62 0.02 0.02) = 8.823% kept HE2 LYS+ 117 - HB3 ASP- 36 12.500% * 8.2727% (0.58 0.02 0.02) = 8.273% kept HE3 LYS+ 55 - HB3 ASP- 36 12.500% * 4.6525% (0.33 0.02 0.02) = 4.652% kept HE3 LYS+ 113 - HB3 ASP- 82 12.500% * 2.4563% (0.17 0.02 0.02) = 2.456% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1739 (1.85, 1.67, 40.74 ppm): 12 chemical-shift based assignments, quality = 0.759, support = 0.411, residual support = 0.6: T HB3 LYS+ 60 - HB ILE 100 8.333% * 71.5568% (0.80 10.00 0.49 0.02) = 71.557% kept T HB2 LYS+ 66 - HB ILE 100 8.333% * 14.1391% (0.72 10.00 0.11 4.12) = 14.139% kept HD2 PRO 59 - HB ILE 100 8.333% * 5.3007% (0.62 1.00 0.47 0.02) = 5.301% kept HB2 PRO 59 - HB ILE 100 8.333% * 3.8738% (0.46 1.00 0.46 0.02) = 3.874% kept T HB3 LYS+ 72 - HB ILE 100 8.333% * 2.8911% (0.79 10.00 0.02 0.02) = 2.891% kept HB VAL 94 - HB ILE 100 8.333% * 1.6502% (0.65 1.00 0.14 0.02) = 1.650% kept HB2 PRO 104 - HB ILE 100 8.333% * 0.2847% (0.78 1.00 0.02 0.02) = 0.285% HB3 ARG+ 84 - HB ILE 100 8.333% * 0.0820% (0.22 1.00 0.02 0.02) = 0.082% HD3 PRO 52 - HB ILE 100 8.333% * 0.0735% (0.20 1.00 0.02 0.02) = 0.074% HD3 LYS+ 117 - HB ILE 100 8.333% * 0.0517% (0.14 1.00 0.02 0.02) = 0.052% HG2 PRO 112 - HB ILE 100 8.333% * 0.0509% (0.14 1.00 0.02 0.02) = 0.051% HG3 LYS+ 108 - HB ILE 100 8.333% * 0.0455% (0.12 1.00 0.02 0.02) = 0.046% Peak 1742 (9.26, 1.67, 40.65 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 4.21, residual support = 68.1: * O HN ILE 100 - HB ILE 100 100.000% *100.0000% (0.76 10.0 4.21 68.06) = 100.000% kept Peak 1746 (1.67, 1.67, 40.70 ppm): 1 diagonal assignment: * HB ILE 100 - HB ILE 100 (0.89) kept Peak 1747 (1.40, 1.67, 40.67 ppm): 15 chemical-shift based assignments, quality = 0.937, support = 4.07, residual support = 66.1: * O HG13 ILE 100 - HB ILE 100 6.667% * 96.8153% (0.94 10.0 4.19 68.06) = 96.815% kept HG LEU 67 - HB ILE 100 6.667% * 2.4597% (0.94 1.0 0.51 8.63) = 2.460% kept HG13 ILE 68 - HB ILE 100 6.667% * 0.2127% (0.39 1.0 0.11 0.93) = 0.213% QB ALA 93 - HB ILE 100 6.667% * 0.0968% (0.94 1.0 0.02 0.02) = 0.097% QB ALA 37 - HB ILE 100 6.667% * 0.0894% (0.87 1.0 0.02 0.02) = 0.089% HD3 LYS+ 20 - HB ILE 100 6.667% * 0.0809% (0.79 1.0 0.02 0.02) = 0.081% HD3 LYS+ 44 - HB ILE 100 6.667% * 0.0509% (0.50 1.0 0.02 0.02) = 0.051% QB ALA 91 - HB ILE 100 6.667% * 0.0398% (0.39 1.0 0.02 0.02) = 0.040% QG2 THR 38 - HB ILE 100 6.667% * 0.0330% (0.32 1.0 0.02 0.02) = 0.033% QG2 THR 39 - HB ILE 100 6.667% * 0.0241% (0.24 1.0 0.02 0.02) = 0.024% HD3 LYS+ 113 - HB ILE 100 6.667% * 0.0241% (0.24 1.0 0.02 0.02) = 0.024% HG3 LYS+ 55 - HB ILE 100 6.667% * 0.0216% (0.21 1.0 0.02 0.02) = 0.022% HG3 ARG+ 22 - HB ILE 100 6.667% * 0.0216% (0.21 1.0 0.02 0.13) = 0.022% HG3 LYS+ 113 - HB ILE 100 6.667% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% HG2 LYS+ 78 - HB ILE 100 6.667% * 0.0131% (0.13 1.0 0.02 0.02) = 0.013% Peak 1748 (1.22, 1.66, 40.74 ppm): 3 chemical-shift based assignments, quality = 0.808, support = 3.07, residual support = 51.7: * O HG12 ILE 100 - HB ILE 100 33.333% * 75.3978% (0.83 10.0 1.00 3.84 68.06) = 75.398% kept T HB3 ARG+ 22 - HB ILE 100 33.333% * 20.7625% (0.75 1.0 10.00 0.61 0.13) = 20.763% kept HB2 LEU 67 - HB ILE 100 33.333% * 3.8397% (0.64 1.0 1.00 1.33 8.63) = 3.840% kept Peak 1749 (0.86, 1.67, 40.67 ppm): 7 chemical-shift based assignments, quality = 0.818, support = 4.53, residual support = 66.8: * O T QG2 ILE 100 - HB ILE 100 14.286% * 98.1942% (0.82 10.0 10.00 4.61 68.06) = 98.194% kept QG2 VAL 13 - HB ILE 100 14.286% * 1.5759% (0.65 1.0 1.00 0.41 0.14) = 1.576% kept QD1 LEU 90 - HB ILE 100 14.286% * 0.1015% (0.85 1.0 1.00 0.02 0.02) = 0.102% HG2 LYS+ 117 - HB ILE 100 14.286% * 0.0465% (0.39 1.0 1.00 0.02 0.02) = 0.047% QG2 VAL 125 - HB ILE 100 14.286% * 0.0315% (0.26 1.0 1.00 0.02 0.02) = 0.031% QD1 ILE 29 - HB ILE 100 14.286% * 0.0252% (0.21 1.0 1.00 0.02 0.02) = 0.025% QG1 VAL 13 - HB ILE 100 14.286% * 0.0252% (0.21 1.0 1.00 0.02 0.14) = 0.025% Peak 1750 (4.60, 3.10, 40.11 ppm): 3 chemical-shift based assignments, quality = 0.751, support = 2.31, residual support = 23.9: * O HA ASP- 25 - HB3 ASP- 25 33.333% * 99.9154% (0.75 10.0 2.31 23.93) = 99.915% kept HA LYS+ 72 - HB3 ASP- 25 33.333% * 0.0648% (0.49 1.0 0.02 0.02) = 0.065% HA LYS+ 78 - HB3 ASP- 25 33.333% * 0.0198% (0.15 1.0 0.02 0.02) = 0.020% Peak 1751 (4.60, 2.62, 40.12 ppm): 3 chemical-shift based assignments, quality = 0.802, support = 2.31, residual support = 23.9: * O HA ASP- 25 - HB2 ASP- 25 33.333% * 99.9278% (0.80 10.0 2.31 23.93) = 99.928% kept HA LYS+ 72 - HB2 ASP- 25 33.333% * 0.0567% (0.46 1.0 0.02 0.02) = 0.057% HA LYS+ 78 - HB2 ASP- 25 33.333% * 0.0155% (0.12 1.0 0.02 0.02) = 0.015% Peak 1753 (2.63, 3.10, 40.14 ppm): 6 chemical-shift based assignments, quality = 0.755, support = 1.98, residual support = 23.6: * O T HB2 ASP- 25 - HB3 ASP- 25 16.667% * 98.4948% (0.76 10.0 10.00 2.00 23.93) = 98.495% kept HB3 ASP- 82 - HB3 ASP- 25 16.667% * 1.3185% (0.35 1.0 1.00 0.58 0.02) = 1.318% kept HE3 LYS+ 20 - HB3 ASP- 25 16.667% * 0.0879% (0.68 1.0 1.00 0.02 0.02) = 0.088% HB2 PHE 34 - HB3 ASP- 25 16.667% * 0.0375% (0.29 1.0 1.00 0.02 0.02) = 0.037% HB3 ASP- 36 - HB3 ASP- 25 16.667% * 0.0339% (0.26 1.0 1.00 0.02 0.02) = 0.034% HG2 MET 118 - HB3 ASP- 25 16.667% * 0.0274% (0.21 1.0 1.00 0.02 0.02) = 0.027% Peak 1754 (3.11, 3.11, 39.97 ppm): 1 diagonal assignment: * HB3 ASP- 25 - HB3 ASP- 25 (0.33) kept Peak 1755 (3.11, 2.62, 40.08 ppm): 5 chemical-shift based assignments, quality = 0.686, support = 2.0, residual support = 23.9: * O T HB3 ASP- 25 - HB2 ASP- 25 20.000% * 99.8230% (0.69 10.0 10.00 2.00 23.93) = 99.823% kept HA VAL 47 - HB2 ASP- 25 20.000% * 0.0490% (0.34 1.0 1.00 0.02 0.02) = 0.049% HE3 LYS+ 72 - HB2 ASP- 25 20.000% * 0.0452% (0.31 1.0 1.00 0.02 0.02) = 0.045% HE3 LYS+ 117 - HB2 ASP- 25 20.000% * 0.0414% (0.28 1.0 1.00 0.02 0.02) = 0.041% HE3 LYS+ 108 - HB2 ASP- 25 20.000% * 0.0414% (0.28 1.0 1.00 0.02 0.02) = 0.041% Peak 1756 (2.99, 2.98, 39.88 ppm): 1 diagonal assignment: * HB2 PHE 21 - HB2 PHE 21 (0.29) kept Peak 1757 (2.76, 2.98, 39.80 ppm): 1 chemical-shift based assignment, quality = 0.257, support = 0.103, residual support = 0.589: HB2 ASN 119 - HB2 PHE 21 100.000% *100.0000% (0.26 0.10 0.59) = 100.000% kept Reference assignment not found: HB3 PHE 21 - HB2 PHE 21 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1758 (0.95, 2.97, 39.90 ppm): 10 chemical-shift based assignments, quality = 0.277, support = 1.91, residual support = 14.2: QG2 ILE 29 - HB2 PHE 21 10.000% * 43.8353% (0.33 3.22 30.76) = 43.835% kept QG1 VAL 105 - HB2 PHE 21 10.000% * 12.8281% (0.21 1.45 1.18) = 12.828% kept QG2 VAL 62 - HB2 PHE 21 10.000% * 11.2426% (0.31 0.87 0.42) = 11.243% kept QG2 VAL 105 - HB2 PHE 21 10.000% * 7.2306% (0.19 0.94 1.18) = 7.231% kept * QG2 VAL 99 - HB2 PHE 21 10.000% * 7.0878% (0.28 0.62 4.45) = 7.088% kept QD1 LEU 17 - HB2 PHE 21 10.000% * 6.8779% (0.20 0.83 0.84) = 6.878% kept QG2 VAL 73 - HB2 PHE 21 10.000% * 5.7833% (0.33 0.43 0.02) = 5.783% kept HG12 ILE 68 - HB2 PHE 21 10.000% * 3.0703% (0.10 0.73 0.94) = 3.070% kept HG3 LYS+ 110 - HB2 PHE 21 10.000% * 1.2230% (0.08 0.36 0.02) = 1.223% kept QG2 VAL 80 - HB2 PHE 21 10.000% * 0.8211% (0.06 0.34 0.02) = 0.821% Peak 1759 (0.95, 2.74, 39.91 ppm): 9 chemical-shift based assignments, quality = 0.2, support = 1.75, residual support = 14.4: QG2 ILE 29 - HB3 PHE 21 11.111% * 44.3113% (0.24 2.81 30.76) = 44.311% kept QG2 VAL 62 - HB3 PHE 21 11.111% * 16.4092% (0.21 1.18 0.42) = 16.409% kept * QG2 VAL 99 - HB3 PHE 21 11.111% * 9.7905% (0.24 0.62 4.45) = 9.791% kept QG2 VAL 105 - HB3 PHE 21 11.111% * 8.5361% (0.10 1.25 1.18) = 8.536% kept QG1 VAL 105 - HB3 PHE 21 11.111% * 7.5365% (0.12 0.93 1.18) = 7.537% kept QG2 VAL 73 - HB3 PHE 21 11.111% * 5.1611% (0.23 0.34 0.02) = 5.161% kept QD1 LEU 17 - HB3 PHE 21 11.111% * 5.1552% (0.11 0.69 0.84) = 5.155% kept HG12 ILE 68 - HB3 PHE 21 11.111% * 2.4322% (0.05 0.74 0.94) = 2.432% kept HG3 LYS+ 110 - HB3 PHE 21 11.111% * 0.6677% (0.04 0.26 0.02) = 0.668% Peak 1760 (2.99, 2.74, 39.84 ppm): 4 chemical-shift based assignments, quality = 0.261, support = 2.28, residual support = 49.5: * O HB2 PHE 21 - HB3 PHE 21 25.000% * 99.5809% (0.26 10.0 2.28 49.74) = 99.581% kept HE3 LYS+ 55 - HB3 PHE 21 25.000% * 0.1421% (0.37 1.0 0.02 0.02) = 0.142% HE2 LYS+ 117 - HB3 PHE 21 25.000% * 0.1399% (0.37 1.0 0.02 0.02) = 0.140% HE3 LYS+ 113 - HB3 PHE 21 25.000% * 0.1371% (0.36 1.0 0.02 0.02) = 0.137% Peak 1762 (3.15, 3.15, 39.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1763 (3.15, 2.89, 39.20 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1764 (2.91, 3.15, 39.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1765 (8.23, 4.37, 39.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1766 (8.24, 1.74, 38.80 ppm): 9 chemical-shift based assignments, quality = 0.73, support = 3.68, residual support = 15.3: * HN SER 49 - HB ILE 48 11.111% * 51.9626% (0.68 5.91 28.94) = 51.963% kept HN LEU 67 - HB ILE 48 11.111% * 16.2574% (0.91 1.37 0.17) = 16.257% kept HN ASP- 115 - HB ILE 48 11.111% * 15.5872% (0.75 1.59 0.62) = 15.587% kept HN GLY 58 - HB ILE 48 11.111% * 12.2410% (0.82 1.14 1.16) = 12.241% kept HN THR 106 - HB ILE 48 11.111% * 1.3828% (0.82 0.13 0.02) = 1.383% kept HN LYS+ 81 - HB ILE 48 11.111% * 0.9346% (0.91 0.08 0.25) = 0.935% HN VAL 94 - HB ILE 48 11.111% * 0.9183% (0.20 0.36 0.02) = 0.918% HN VAL 105 - HB ILE 48 11.111% * 0.4650% (0.17 0.21 0.02) = 0.465% HN GLU- 12 - HB ILE 48 11.111% * 0.2511% (0.97 0.02 0.02) = 0.251% Peak 1767 (8.20, 2.80, 38.93 ppm): 18 chemical-shift based assignments, quality = 0.338, support = 0.655, residual support = 0.755: HN ALA 33 - HB2 ASN 119 5.556% * 37.4131% (0.63 0.40 0.02) = 37.413% kept HN GLN 16 - HB2 ASN 119 5.556% * 31.1099% (0.17 1.26 1.68) = 31.110% kept HN GLN 16 - HB3 ASN 119 5.556% * 13.2550% (0.12 0.74 1.68) = 13.255% kept HN GLU- 45 - HB3 ASN 89 5.556% * 6.6041% (0.21 0.21 0.02) = 6.604% kept HN GLU- 45 - HB2 ASN 119 5.556% * 1.4352% (0.48 0.02 0.02) = 1.435% kept HN ALA 33 - HB3 ASN 119 5.556% * 1.3644% (0.46 0.02 0.02) = 1.364% kept HN ALA 11 - HB2 ASN 119 5.556% * 1.2786% (0.43 0.02 0.02) = 1.279% kept HN GLU- 45 - HB3 ASN 119 5.556% * 1.0474% (0.35 0.02 0.02) = 1.047% kept HN VAL 105 - HB2 ASN 119 5.556% * 0.9620% (0.32 0.02 0.02) = 0.962% HN ALA 11 - HB3 ASN 119 5.556% * 0.9331% (0.31 0.02 0.02) = 0.933% HN VAL 94 - HB2 ASN 119 5.556% * 0.8861% (0.30 0.02 0.02) = 0.886% HN ALA 33 - HB3 ASN 89 5.556% * 0.8046% (0.27 0.02 0.02) = 0.805% HN VAL 105 - HB3 ASN 119 5.556% * 0.7021% (0.24 0.02 0.02) = 0.702% HN VAL 94 - HB3 ASN 119 5.556% * 0.6467% (0.22 0.02 0.02) = 0.647% HN ALA 11 - HB3 ASN 89 5.556% * 0.5503% (0.18 0.02 0.02) = 0.550% HN VAL 105 - HB3 ASN 89 5.556% * 0.4140% (0.14 0.02 0.02) = 0.414% HN VAL 94 - HB3 ASN 89 5.556% * 0.3813% (0.13 0.02 0.02) = 0.381% HN GLN 16 - HB3 ASN 89 5.556% * 0.2121% (0.07 0.02 0.02) = 0.212% Peak 1768 (7.64, 2.80, 38.93 ppm): 12 chemical-shift based assignments, quality = 0.359, support = 1.0, residual support = 3.32: * O HD21 ASN 89 - HB3 ASN 89 8.333% * 73.9584% (0.29 10.0 1.00 3.97) = 73.958% kept HD21 ASN 89 - HB3 ASN 119 8.333% * 17.4707% (0.54 1.0 1.27 1.50) = 17.471% kept HD21 ASN 89 - HB2 ASN 119 8.333% * 7.9588% (0.60 1.0 0.52 1.50) = 7.959% kept HD21 ASN 57 - HB2 ASN 119 8.333% * 0.1489% (0.29 1.0 0.02 0.02) = 0.149% HD21 ASN 57 - HB3 ASN 119 8.333% * 0.1341% (0.26 1.0 0.02 0.02) = 0.134% HD21 ASN 57 - HB3 ASN 89 8.333% * 0.0722% (0.14 1.0 0.02 0.02) = 0.072% HN TYR 83 - HB2 ASN 119 8.333% * 0.0605% (0.12 1.0 0.02 0.02) = 0.061% HN TYR 83 - HB3 ASN 119 8.333% * 0.0545% (0.11 1.0 0.02 0.02) = 0.055% HN ASP- 25 - HB2 ASN 119 8.333% * 0.0472% (0.09 1.0 0.02 0.02) = 0.047% HN ASP- 25 - HB3 ASN 119 8.333% * 0.0425% (0.08 1.0 0.02 0.02) = 0.042% HN TYR 83 - HB3 ASN 89 8.333% * 0.0293% (0.06 1.0 0.02 0.02) = 0.029% HN ASP- 25 - HB3 ASN 89 8.333% * 0.0229% (0.05 1.0 0.02 0.02) = 0.023% Peak 1769 (7.07, 2.33, 39.09 ppm): 2 chemical-shift based assignments, quality = 0.304, support = 3.49, residual support = 66.2: * O T QD TYR 83 - HB2 TYR 83 50.000% * 99.9745% (0.30 10.0 10.00 3.49 66.25) = 99.975% kept QE PHE 21 - HB2 TYR 83 50.000% * 0.0255% (0.08 1.0 1.00 0.02 0.02) = 0.025% Peak 1770 (6.89, 2.79, 38.95 ppm): 9 chemical-shift based assignments, quality = 0.554, support = 1.14, residual support = 4.06: * O HD21 ASN 119 - HB2 ASN 119 11.111% * 56.8342% (0.70 10.0 1.00 4.43) = 56.834% kept O HD21 ASN 119 - HB3 ASN 119 11.111% * 33.1354% (0.27 10.0 1.50 4.43) = 33.135% kept QD PHE 21 - HB2 ASN 119 11.111% * 5.6012% (0.81 1.0 0.85 0.59) = 5.601% kept HD22 ASN 15 - HB2 ASN 119 11.111% * 2.2610% (0.75 1.0 0.37 0.95) = 2.261% kept HD22 ASN 15 - HB3 ASN 119 11.111% * 2.0362% (0.29 1.0 0.86 0.95) = 2.036% kept QD PHE 21 - HB3 ASN 119 11.111% * 0.0510% (0.31 1.0 0.02 0.59) = 0.051% QD PHE 21 - HB3 ASN 89 11.111% * 0.0289% (0.18 1.0 0.02 0.19) = 0.029% HD22 ASN 15 - HB3 ASN 89 11.111% * 0.0269% (0.16 1.0 0.02 0.44) = 0.027% HD21 ASN 119 - HB3 ASN 89 11.111% * 0.0251% (0.15 1.0 0.02 1.50) = 0.025% Peak 1771 (4.72, 2.80, 38.92 ppm): 18 chemical-shift based assignments, quality = 0.5, support = 0.551, residual support = 0.444: HA LYS+ 20 - HB2 ASN 119 5.556% * 33.8379% (0.78 0.64 0.12) = 33.838% kept HA GLN 16 - HB2 ASN 119 5.556% * 15.0049% (0.24 0.92 1.68) = 15.005% kept HA THR 39 - HB2 ASN 119 5.556% * 12.4299% (0.59 0.31 0.02) = 12.430% kept HA2 GLY 30 - HB2 ASN 119 5.556% * 8.2450% (0.65 0.19 0.02) = 8.245% kept HA LYS+ 20 - HB3 ASN 119 5.556% * 8.2153% (0.37 0.33 0.12) = 8.215% kept HA GLN 16 - HB3 ASN 119 5.556% * 8.0213% (0.12 1.03 1.68) = 8.021% kept HA THR 39 - HB3 ASN 119 5.556% * 5.9602% (0.29 0.31 0.02) = 5.960% kept HA2 GLY 30 - HB3 ASN 119 5.556% * 5.2978% (0.31 0.25 0.02) = 5.298% kept HA THR 61 - HB2 ASN 119 5.556% * 0.6396% (0.47 0.02 0.02) = 0.640% HA VAL 99 - HB2 ASN 119 5.556% * 0.4728% (0.35 0.02 0.02) = 0.473% HA LYS+ 20 - HB3 ASN 89 5.556% * 0.3381% (0.25 0.02 0.02) = 0.338% HA THR 61 - HB3 ASN 119 5.556% * 0.3067% (0.23 0.02 0.02) = 0.307% HA2 GLY 30 - HB3 ASN 89 5.556% * 0.2830% (0.21 0.02 0.02) = 0.283% HA THR 39 - HB3 ASN 89 5.556% * 0.2589% (0.19 0.02 0.02) = 0.259% HA VAL 99 - HB3 ASN 119 5.556% * 0.2267% (0.17 0.02 0.02) = 0.227% HA THR 61 - HB3 ASN 89 5.556% * 0.2055% (0.15 0.02 0.02) = 0.206% HA VAL 99 - HB3 ASN 89 5.556% * 0.1519% (0.11 0.02 0.02) = 0.152% HA GLN 16 - HB3 ASN 89 5.556% * 0.1046% (0.08 0.02 0.02) = 0.105% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1772 (3.35, 3.35, 39.08 ppm): 1 diagonal assignment: * HB3 TYR 83 - HB3 TYR 83 (0.40) kept Peak 1773 (3.35, 2.33, 39.07 ppm): 1 chemical-shift based assignment, quality = 0.396, support = 2.0, residual support = 66.2: * O T HB3 TYR 83 - HB2 TYR 83 100.000% *100.0000% (0.40 10.0 10.00 2.00 66.25) = 100.000% kept Peak 1779 (2.81, 2.75, 39.03 ppm): 1 diagonal assignment: * HB2 ASN 119 - HB2 ASN 119 (0.08) kept Peak 1781 (2.79, 2.82, 39.01 ppm): 2 diagonal assignments: * HB2 ASN 119 - HB2 ASN 119 (0.21) kept HB3 ASN 89 - HB3 ASN 89 (0.06) kept Peak 1786 (2.33, 3.35, 39.10 ppm): 7 chemical-shift based assignments, quality = 0.452, support = 1.95, residual support = 63.7: * O T HB2 TYR 83 - HB3 TYR 83 14.286% * 96.1206% (0.45 10.0 10.00 2.00 66.25) = 96.121% kept HG2 PRO 112 - HB3 TYR 83 14.286% * 3.6628% (0.40 1.0 1.00 0.87 0.24) = 3.663% kept HB3 PRO 86 - HB3 TYR 83 14.286% * 0.0785% (0.37 1.0 1.00 0.02 0.02) = 0.079% HG3 GLU- 56 - HB3 TYR 83 14.286% * 0.0785% (0.37 1.0 1.00 0.02 0.02) = 0.079% HB2 GLU- 64 - HB3 TYR 83 14.286% * 0.0273% (0.13 1.0 1.00 0.02 0.02) = 0.027% HG3 GLU- 50 - HB3 TYR 83 14.286% * 0.0172% (0.08 1.0 1.00 0.02 0.02) = 0.017% HG2 GLU- 64 - HB3 TYR 83 14.286% * 0.0151% (0.07 1.0 1.00 0.02 0.02) = 0.015% Peak 1787 (2.33, 2.33, 39.10 ppm): 1 diagonal assignment: * HB2 TYR 83 - HB2 TYR 83 (0.47) kept Peak 1788 (1.91, 1.90, 38.95 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1790 (0.39, 1.74, 38.81 ppm): 2 chemical-shift based assignments, quality = 0.969, support = 5.54, residual support = 148.9: O T QD1 ILE 48 - HB ILE 48 50.000% * 50.0000% (0.97 10.0 10.00 5.84 148.88) = 50.000% kept * O HG12 ILE 48 - HB ILE 48 50.000% * 50.0000% (0.97 10.0 1.00 5.25 148.88) = 50.000% kept Peak 1791 (7.31, 1.74, 38.80 ppm): 7 chemical-shift based assignments, quality = 0.681, support = 5.49, residual support = 107.5: * O HN ILE 48 - HB ILE 48 14.286% * 67.1631% (0.66 10.0 6.12 148.88) = 67.163% kept HN VAL 47 - HB ILE 48 14.286% * 21.5904% (0.77 1.0 5.52 33.51) = 21.590% kept QD PHE 34 - HB ILE 48 14.286% * 7.8909% (0.70 1.0 2.22 2.63) = 7.891% kept QE PHE 34 - HB ILE 48 14.286% * 1.5168% (0.27 1.0 1.12 2.63) = 1.517% kept HN ARG+ 84 - HB ILE 48 14.286% * 1.0161% (0.81 1.0 0.25 0.02) = 1.016% kept HZ2 TRP 51 - HB ILE 48 14.286% * 0.7956% (0.27 1.0 0.59 0.02) = 0.796% HZ PHE 34 - HB ILE 48 14.286% * 0.0272% (0.27 1.0 0.02 2.63) = 0.027% Peak 1792 (2.99, 2.98, 38.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1795 (1.80, 1.80, 38.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1798 (1.47, 1.80, 38.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1799 (0.82, 1.80, 38.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1800 (0.73, 1.74, 38.76 ppm): 10 chemical-shift based assignments, quality = 0.687, support = 6.09, residual support = 129.2: * O QG2 ILE 48 - HB ILE 48 10.000% * 86.7532% (0.70 10.0 6.91 148.88) = 86.753% kept HG3 LYS+ 44 - HB ILE 48 10.000% * 4.8778% (0.62 1.0 1.25 0.51) = 4.878% kept QD1 ILE 68 - HB ILE 48 10.000% * 2.3183% (0.91 1.0 0.41 0.02) = 2.318% kept QG2 THR 96 - HB ILE 48 10.000% * 1.7882% (0.40 1.0 0.72 0.02) = 1.788% kept HG3 LYS+ 66 - HB ILE 48 10.000% * 1.7039% (0.62 1.0 0.44 0.02) = 1.704% kept HG LEU 74 - HB ILE 48 10.000% * 1.5328% (0.87 1.0 0.28 0.02) = 1.533% kept QG2 VAL 65 - HB ILE 48 10.000% * 0.4752% (0.87 1.0 0.09 1.27) = 0.475% QG2 ILE 101 - HB ILE 48 10.000% * 0.4045% (0.62 1.0 0.10 0.14) = 0.405% QG1 VAL 40 - HB ILE 48 10.000% * 0.1160% (0.93 1.0 0.02 0.02) = 0.116% QG1 VAL 65 - HB ILE 48 10.000% * 0.0300% (0.24 1.0 0.02 1.27) = 0.030% Peak 1801 (7.42, 2.06, 37.59 ppm): 2 chemical-shift based assignments, quality = 0.127, support = 4.74, residual support = 44.5: * HN GLU- 64 - HG3 GLU- 64 50.000% * 77.3154% (0.11 5.86 57.09) = 77.315% kept HN THR 61 - HG3 GLU- 64 50.000% * 22.6846% (0.20 0.93 1.68) = 22.685% kept Peak 1802 (4.27, 2.28, 37.56 ppm): 19 chemical-shift based assignments, quality = 0.352, support = 4.57, residual support = 55.0: * O HA GLU- 64 - HG2 GLU- 64 5.263% * 96.2834% (0.35 10.0 4.74 57.09) = 96.283% kept HA VAL 94 - HG2 GLU- 64 5.263% * 2.4958% (0.42 1.0 0.44 0.02) = 2.496% kept HA ARG+ 84 - HG2 GLU- 64 5.263% * 0.1150% (0.42 1.0 0.02 0.02) = 0.115% HA SER 85 - HG2 GLU- 64 5.263% * 0.1150% (0.42 1.0 0.02 0.02) = 0.115% HA PRO 52 - HG2 GLU- 64 5.263% * 0.1150% (0.42 1.0 0.02 0.02) = 0.115% HA GLU- 56 - HG2 GLU- 64 5.263% * 0.1090% (0.40 1.0 0.02 0.02) = 0.109% HA VAL 122 - HG2 GLU- 64 5.263% * 0.1034% (0.38 1.0 0.02 0.02) = 0.103% HA LEU 90 - HG2 GLU- 64 5.263% * 0.0963% (0.35 1.0 0.02 0.02) = 0.096% HA GLU- 75 - HG2 GLU- 64 5.263% * 0.0923% (0.34 1.0 0.02 0.02) = 0.092% HB3 CYS 121 - HG2 GLU- 64 5.263% * 0.0746% (0.27 1.0 0.02 0.02) = 0.075% HA THR 106 - HG2 GLU- 64 5.263% * 0.0606% (0.22 1.0 0.02 0.02) = 0.061% HA CYS 121 - HG2 GLU- 64 5.263% * 0.0561% (0.21 1.0 0.02 0.02) = 0.056% HA GLU- 107 - HG2 GLU- 64 5.263% * 0.0561% (0.21 1.0 0.02 0.02) = 0.056% HA ASN 119 - HG2 GLU- 64 5.263% * 0.0561% (0.21 1.0 0.02 0.02) = 0.056% HA ASN 76 - HG2 GLU- 64 5.263% * 0.0517% (0.19 1.0 0.02 0.02) = 0.052% HA ALA 11 - HG2 GLU- 64 5.263% * 0.0433% (0.16 1.0 0.02 0.02) = 0.043% HA ASP- 36 - HG2 GLU- 64 5.263% * 0.0320% (0.12 1.0 0.02 0.02) = 0.032% HA PRO 59 - HG2 GLU- 64 5.263% * 0.0228% (0.08 1.0 0.02 0.02) = 0.023% HB3 SER 49 - HG2 GLU- 64 5.263% * 0.0213% (0.08 1.0 0.02 0.82) = 0.021% Peak 1803 (4.27, 2.06, 37.52 ppm): 22 chemical-shift based assignments, quality = 0.283, support = 3.54, residual support = 56.4: * O HA GLU- 64 - HG3 GLU- 64 4.545% * 98.7880% (0.29 10.0 3.58 57.09) = 98.788% kept HA GLU- 56 - HG3 GLU- 64 4.545% * 0.1024% (0.30 1.0 0.02 0.02) = 0.102% HA GLU- 75 - HG3 GLU- 64 4.545% * 0.0968% (0.28 1.0 0.02 0.02) = 0.097% HA ARG+ 84 - HG3 GLU- 64 4.545% * 0.0945% (0.27 1.0 0.02 0.02) = 0.094% HA SER 85 - HG3 GLU- 64 4.545% * 0.0945% (0.27 1.0 0.02 0.02) = 0.094% HA PRO 52 - HG3 GLU- 64 4.545% * 0.0945% (0.27 1.0 0.02 0.02) = 0.094% HA VAL 94 - HG3 GLU- 64 4.545% * 0.0918% (0.27 1.0 0.02 0.02) = 0.092% HA VAL 122 - HG3 GLU- 64 4.545% * 0.0743% (0.22 1.0 0.02 0.02) = 0.074% HA ASN 119 - HG3 GLU- 64 4.545% * 0.0703% (0.20 1.0 0.02 0.02) = 0.070% HA GLU- 107 - HG3 GLU- 64 4.545% * 0.0703% (0.20 1.0 0.02 0.02) = 0.070% HA LEU 90 - HG3 GLU- 64 4.545% * 0.0662% (0.19 1.0 0.02 0.02) = 0.066% HA ASN 76 - HG3 GLU- 64 4.545% * 0.0662% (0.19 1.0 0.02 0.02) = 0.066% HA ALA 11 - HG3 GLU- 64 4.545% * 0.0580% (0.17 1.0 0.02 0.02) = 0.058% HB3 CYS 121 - HG3 GLU- 64 4.545% * 0.0459% (0.13 1.0 0.02 0.02) = 0.046% HA THR 106 - HG3 GLU- 64 4.545% * 0.0349% (0.10 1.0 0.02 0.02) = 0.035% HA PRO 59 - HG3 GLU- 64 4.545% * 0.0349% (0.10 1.0 0.02 0.02) = 0.035% HA CYS 121 - HG3 GLU- 64 4.545% * 0.0316% (0.09 1.0 0.02 0.02) = 0.032% HB3 SER 49 - HG3 GLU- 64 4.545% * 0.0216% (0.06 1.0 0.02 0.82) = 0.022% HA GLU- 10 - HG3 GLU- 64 4.545% * 0.0158% (0.05 1.0 0.02 0.02) = 0.016% HA GLU- 54 - HG3 GLU- 64 4.545% * 0.0158% (0.05 1.0 0.02 0.02) = 0.016% HA ASP- 36 - HG3 GLU- 64 4.545% * 0.0158% (0.05 1.0 0.02 0.02) = 0.016% HA LYS+ 108 - HG3 GLU- 64 4.545% * 0.0158% (0.05 1.0 0.02 0.02) = 0.016% Peak 1804 (2.29, 2.05, 37.57 ppm): 8 chemical-shift based assignments, quality = 0.295, support = 2.26, residual support = 48.0: * O T HG2 GLU- 64 - HG3 GLU- 64 12.500% * 84.1241% (0.28 10.0 10.00 2.63 57.09) = 84.124% kept T HG2 PRO 112 - HG3 GLU- 64 12.500% * 14.9990% (0.39 1.0 10.00 0.26 0.02) = 14.999% kept T HG3 GLU- 75 - HG3 GLU- 64 12.500% * 0.5035% (0.17 1.0 10.00 0.02 0.02) = 0.503% HB2 LYS+ 44 - HG3 GLU- 64 12.500% * 0.1158% (0.39 1.0 1.00 0.02 0.02) = 0.116% HB3 PRO 116 - HG3 GLU- 64 12.500% * 0.0936% (0.31 1.0 1.00 0.02 0.02) = 0.094% HB3 PRO 112 - HG3 GLU- 64 12.500% * 0.0719% (0.24 1.0 1.00 0.02 0.02) = 0.072% HB3 LYS+ 117 - HG3 GLU- 64 12.500% * 0.0503% (0.17 1.0 1.00 0.02 0.02) = 0.050% HB VAL 80 - HG3 GLU- 64 12.500% * 0.0418% (0.14 1.0 1.00 0.02 0.02) = 0.042% Peak 1805 (2.03, 2.28, 37.66 ppm): 16 chemical-shift based assignments, quality = 0.474, support = 3.36, residual support = 56.5: O T HG3 GLU- 64 - HG2 GLU- 64 6.250% * 50.3801% (0.49 10.0 10.00 2.63 57.09) = 50.380% kept O HB3 GLU- 64 - HG2 GLU- 64 6.250% * 48.6203% (0.47 10.0 1.00 4.18 57.09) = 48.620% kept T HG2 PRO 116 - HG2 GLU- 64 6.250% * 0.3658% (0.35 1.0 10.00 0.02 0.02) = 0.366% T HG3 PRO 86 - HG2 GLU- 64 6.250% * 0.2452% (0.24 1.0 10.00 0.02 0.02) = 0.245% HB3 GLU- 54 - HG2 GLU- 64 6.250% * 0.0503% (0.49 1.0 1.00 0.02 0.02) = 0.050% HB3 GLU- 10 - HG2 GLU- 64 6.250% * 0.0486% (0.47 1.0 1.00 0.02 0.02) = 0.049% HB3 PRO 31 - HG2 GLU- 64 6.250% * 0.0465% (0.45 1.0 1.00 0.02 0.02) = 0.047% HB3 LYS+ 110 - HG2 GLU- 64 6.250% * 0.0437% (0.42 1.0 1.00 0.02 0.02) = 0.044% HB3 GLU- 107 - HG2 GLU- 64 6.250% * 0.0385% (0.37 1.0 1.00 0.02 0.02) = 0.039% HG2 PRO 112 - HG2 GLU- 64 6.250% * 0.0315% (0.30 1.0 1.00 0.02 0.02) = 0.031% HB3 GLU- 75 - HG2 GLU- 64 6.250% * 0.0256% (0.25 1.0 1.00 0.02 0.02) = 0.026% HB2 GLU- 18 - HG2 GLU- 64 6.250% * 0.0245% (0.24 1.0 1.00 0.02 0.02) = 0.025% HG3 PRO 112 - HG2 GLU- 64 6.250% * 0.0226% (0.22 1.0 1.00 0.02 0.02) = 0.023% HB2 GLU- 45 - HG2 GLU- 64 6.250% * 0.0189% (0.18 1.0 1.00 0.02 0.02) = 0.019% HB3 MET 118 - HG2 GLU- 64 6.250% * 0.0189% (0.18 1.0 1.00 0.02 0.02) = 0.019% HB2 HIS+ 14 - HG2 GLU- 64 6.250% * 0.0189% (0.18 1.0 1.00 0.02 0.02) = 0.019% Reference assignment not found: HG3 GLU- 64 - HG3 GLU- 64 Peak 1806 (2.03, 2.06, 37.58 ppm): 1 diagonal assignment: * HG3 GLU- 64 - HG3 GLU- 64 (0.32) kept Peak 1807 (0.36, 4.33, 37.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1808 (7.64, 2.89, 37.38 ppm): 3 chemical-shift based assignments, quality = 0.26, support = 1.86, residual support = 19.2: * O HD21 ASN 57 - HB3 ASN 57 33.333% * 99.6388% (0.26 10.0 1.87 19.31) = 99.639% kept HD21 ASN 89 - HB3 ASN 57 33.333% * 0.2821% (0.69 1.0 0.02 0.02) = 0.282% HN TYR 83 - HB3 ASN 57 33.333% * 0.0791% (0.19 1.0 0.02 0.02) = 0.079% Peak 1809 (4.40, 2.90, 37.38 ppm): 14 chemical-shift based assignments, quality = 0.977, support = 2.71, residual support = 19.2: * O HA ASN 57 - HB3 ASN 57 7.143% * 99.2046% (0.99 10.0 2.73 19.31) = 99.205% kept HA THR 95 - HB3 ASN 57 7.143% * 0.0990% (0.98 1.0 0.02 0.02) = 0.099% HA PRO 104 - HB3 ASN 57 7.143% * 0.0957% (0.95 1.0 0.02 0.02) = 0.096% HA PRO 112 - HB3 ASN 57 7.143% * 0.0829% (0.82 1.0 0.02 0.02) = 0.083% HA SER 88 - HB3 ASN 57 7.143% * 0.0794% (0.79 1.0 0.02 0.02) = 0.079% HA PRO 116 - HB3 ASN 57 7.143% * 0.0758% (0.75 1.0 0.02 0.02) = 0.076% HA ALA 91 - HB3 ASN 57 7.143% * 0.0681% (0.68 1.0 0.02 0.02) = 0.068% HA PRO 86 - HB3 ASN 57 7.143% * 0.0681% (0.68 1.0 0.02 0.02) = 0.068% HA HIS+ 14 - HB3 ASN 57 7.143% * 0.0522% (0.52 1.0 0.02 0.02) = 0.052% HA SER 27 - HB3 ASN 57 7.143% * 0.0445% (0.44 1.0 0.02 0.02) = 0.044% HA ALA 37 - HB3 ASN 57 7.143% * 0.0408% (0.41 1.0 0.02 0.02) = 0.041% HA LYS+ 60 - HB3 ASN 57 7.143% * 0.0306% (0.30 1.0 0.02 0.02) = 0.031% HA LYS+ 66 - HB3 ASN 57 7.143% * 0.0306% (0.30 1.0 0.02 0.02) = 0.031% HA TRP 51 - HB3 ASN 57 7.143% * 0.0276% (0.27 1.0 0.02 0.02) = 0.028% Peak 1810 (2.90, 2.90, 37.37 ppm): 1 diagonal assignment: * HB3 ASN 57 - HB3 ASN 57 (0.94) kept Peak 1812 (8.50, 2.22, 37.05 ppm): 16 chemical-shift based assignments, quality = 0.467, support = 3.77, residual support = 48.9: * HN GLU- 18 - HG3 GLU- 18 6.250% * 90.8535% (0.48 4.12 53.83) = 90.853% kept HN LYS+ 113 - HG3 GLU- 18 6.250% * 7.4498% (0.37 0.44 0.02) = 7.450% kept HN GLY 92 - HG3 GLU- 18 6.250% * 0.6285% (0.13 0.10 0.02) = 0.629% HN GLU- 10 - HG3 GLU- 18 6.250% * 0.6229% (0.68 0.02 0.02) = 0.623% HN GLU- 10 - HG3 GLU- 109 6.250% * 0.1240% (0.14 0.02 0.02) = 0.124% HN GLU- 18 - HG3 GLU- 109 6.250% * 0.0879% (0.10 0.02 0.02) = 0.088% HN LYS+ 113 - HG3 GLU- 109 6.250% * 0.0677% (0.07 0.02 0.02) = 0.068% HN GLU- 10 - HG3 GLU- 107 6.250% * 0.0298% (0.03 0.02 0.02) = 0.030% HN GLU- 10 - HG3 GLU- 54 6.250% * 0.0278% (0.03 0.02 0.02) = 0.028% HN GLY 92 - HG3 GLU- 109 6.250% * 0.0244% (0.03 0.02 0.02) = 0.024% HN GLU- 18 - HG3 GLU- 107 6.250% * 0.0211% (0.02 0.02 0.02) = 0.021% HN GLU- 18 - HG3 GLU- 54 6.250% * 0.0197% (0.02 0.02 0.02) = 0.020% HN LYS+ 113 - HG3 GLU- 107 6.250% * 0.0163% (0.02 0.02 0.02) = 0.016% HN LYS+ 113 - HG3 GLU- 54 6.250% * 0.0152% (0.02 0.02 0.02) = 0.015% HN GLY 92 - HG3 GLU- 107 6.250% * 0.0059% (0.01 0.02 0.02) = 0.006% HN GLY 92 - HG3 GLU- 54 6.250% * 0.0055% (0.01 0.02 0.02) = 0.005% Peak 1814 (8.22, 2.46, 36.88 ppm): 10 chemical-shift based assignments, quality = 0.722, support = 3.25, residual support = 35.3: * HN GLU- 45 - HG3 GLU- 45 10.000% * 46.3647% (0.68 5.41 73.84) = 46.365% kept HN SER 49 - HG3 GLU- 45 10.000% * 19.0303% (0.86 1.76 4.72) = 19.030% kept HN ALA 11 - HG3 GLU- 45 10.000% * 17.3764% (0.75 1.82 0.88) = 17.376% kept HN VAL 105 - HG3 GLU- 45 10.000% * 6.9688% (0.89 0.62 0.32) = 6.969% kept HN LEU 67 - HG3 GLU- 45 10.000% * 3.7127% (0.60 0.49 0.02) = 3.713% kept HN LYS+ 81 - HG3 GLU- 45 10.000% * 2.9214% (0.60 0.39 0.23) = 2.921% kept HN GLU- 12 - HG3 GLU- 45 10.000% * 2.4717% (0.48 0.41 0.02) = 2.472% kept HN GLY 58 - HG3 GLU- 45 10.000% * 0.8901% (0.72 0.10 0.02) = 0.890% HN VAL 94 - HG3 GLU- 45 10.000% * 0.2302% (0.91 0.02 0.02) = 0.230% HN THR 106 - HG3 GLU- 45 10.000% * 0.0337% (0.13 0.02 0.02) = 0.034% Peak 1815 (8.23, 2.13, 36.88 ppm): 11 chemical-shift based assignments, quality = 0.719, support = 2.82, residual support = 24.2: HN SER 49 - HG2 GLU- 45 9.091% * 31.1979% (0.97 2.64 4.72) = 31.198% kept * HN GLU- 45 - HG2 GLU- 45 9.091% * 30.6102% (0.48 5.21 73.84) = 30.610% kept HN ALA 11 - HG2 GLU- 45 9.091% * 11.4499% (0.56 1.68 0.88) = 11.450% kept HN LYS+ 81 - HG2 GLU- 45 9.091% * 10.9818% (0.80 1.14 0.23) = 10.982% kept HN VAL 105 - HG2 GLU- 45 9.091% * 6.1636% (0.72 0.70 0.32) = 6.164% kept HN LEU 67 - HG2 GLU- 45 9.091% * 4.7450% (0.80 0.49 0.02) = 4.745% kept HN GLU- 12 - HG2 GLU- 45 9.091% * 3.4950% (0.68 0.42 0.02) = 3.495% kept HN GLY 58 - HG2 GLU- 45 9.091% * 1.0642% (0.89 0.10 0.02) = 1.064% kept HN VAL 94 - HG2 GLU- 45 9.091% * 0.1845% (0.76 0.02 0.02) = 0.184% HN THR 106 - HG2 GLU- 45 9.091% * 0.0602% (0.25 0.02 0.02) = 0.060% HN ASP- 115 - HG2 GLU- 45 9.091% * 0.0478% (0.20 0.02 0.02) = 0.048% Peak 1816 (5.43, 4.31, 36.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1817 (4.80, 2.21, 36.97 ppm): 8 chemical-shift based assignments, quality = 0.541, support = 3.47, residual support = 53.6: * O HA GLU- 18 - HG3 GLU- 18 12.500% * 99.5433% (0.54 10.0 3.49 53.83) = 99.543% kept HA LEU 23 - HG3 GLU- 18 12.500% * 0.1508% (0.82 1.0 0.02 0.02) = 0.151% HB THR 39 - HG3 GLU- 18 12.500% * 0.0933% (0.51 1.0 0.02 0.02) = 0.093% HA ASN 15 - HG3 GLU- 18 12.500% * 0.0633% (0.35 1.0 0.02 0.02) = 0.063% HA LEU 23 - HG3 GLU- 109 12.500% * 0.0553% (0.30 1.0 0.02 0.02) = 0.055% HA GLU- 18 - HG3 GLU- 109 12.500% * 0.0365% (0.20 1.0 0.02 0.02) = 0.037% HB THR 39 - HG3 GLU- 109 12.500% * 0.0342% (0.19 1.0 0.02 0.02) = 0.034% HA ASN 15 - HG3 GLU- 109 12.500% * 0.0232% (0.13 1.0 0.02 0.02) = 0.023% Peak 1818 (4.80, 1.89, 37.06 ppm): 4 chemical-shift based assignments, quality = 0.632, support = 4.79, residual support = 53.7: * O HA GLU- 18 - HG2 GLU- 18 25.000% * 99.6921% (0.63 10.0 4.80 53.83) = 99.692% kept HA LEU 23 - HG2 GLU- 18 25.000% * 0.1511% (0.96 1.0 0.02 0.02) = 0.151% HB THR 39 - HG2 GLU- 18 25.000% * 0.0935% (0.59 1.0 0.02 0.02) = 0.093% HA ASN 15 - HG2 GLU- 18 25.000% * 0.0634% (0.40 1.0 0.02 0.02) = 0.063% Peak 1819 (3.87, 2.13, 36.90 ppm): 10 chemical-shift based assignments, quality = 0.981, support = 3.66, residual support = 73.3: * O HA GLU- 45 - HG2 GLU- 45 10.000% * 99.3115% (0.99 10.0 3.69 73.84) = 99.311% kept HB3 SER 27 - HG2 GLU- 45 10.000% * 0.1000% (0.99 1.0 0.02 0.02) = 0.100% HB3 SER 77 - HG2 GLU- 45 10.000% * 0.0948% (0.94 1.0 0.02 0.02) = 0.095% HA2 GLY 114 - HG2 GLU- 45 10.000% * 0.0948% (0.94 1.0 0.02 0.02) = 0.095% HB2 SER 85 - HG2 GLU- 45 10.000% * 0.0925% (0.92 1.0 0.02 0.02) = 0.092% HB3 SER 88 - HG2 GLU- 45 10.000% * 0.0899% (0.89 1.0 0.02 0.21) = 0.090% HD3 PRO 35 - HG2 GLU- 45 10.000% * 0.0728% (0.72 1.0 0.02 0.02) = 0.073% HD2 PRO 116 - HG2 GLU- 45 10.000% * 0.0648% (0.64 1.0 0.02 0.02) = 0.065% HD2 PRO 86 - HG2 GLU- 45 10.000% * 0.0567% (0.56 1.0 0.02 0.02) = 0.057% HA LYS+ 117 - HG2 GLU- 45 10.000% * 0.0223% (0.22 1.0 0.02 0.02) = 0.022% Peak 1820 (2.46, 2.13, 36.97 ppm): 2 chemical-shift based assignments, quality = 0.846, support = 3.31, residual support = 68.4: * O T HG3 GLU- 45 - HG2 GLU- 45 50.000% * 92.5509% (0.88 10.0 10.00 3.55 73.84) = 92.551% kept T HG2 PRO 112 - HG2 GLU- 45 50.000% * 7.4491% (0.46 1.0 10.00 0.31 0.28) = 7.449% kept Peak 1821 (2.22, 1.89, 37.10 ppm): 14 chemical-shift based assignments, quality = 0.878, support = 1.81, residual support = 30.6: * O HG3 GLU- 18 - HG2 GLU- 18 7.143% * 56.4194% (0.92 10.0 1.00 2.76 53.83) = 56.419% kept T HG3 GLN 102 - HG2 GLU- 18 7.143% * 18.4271% (0.85 1.0 10.00 0.71 0.77) = 18.427% kept T HG3 MET 97 - HG2 GLU- 18 7.143% * 13.0243% (0.98 1.0 10.00 0.44 0.02) = 13.024% kept T HG3 GLN 16 - HG2 GLU- 18 7.143% * 4.9887% (0.27 1.0 10.00 0.60 1.50) = 4.989% kept HG2 PRO 112 - HG2 GLU- 18 7.143% * 2.8569% (0.98 1.0 1.00 0.96 0.12) = 2.857% kept T HG3 MET 126 - HG2 GLU- 18 7.143% * 2.7896% (0.96 1.0 10.00 0.10 0.02) = 2.790% kept T HG2 MET 126 - HG2 GLU- 18 7.143% * 1.2404% (0.40 1.0 10.00 0.10 0.02) = 1.240% kept HA1 GLY 58 - HG2 GLU- 18 7.143% * 0.0596% (0.98 1.0 1.00 0.02 0.02) = 0.060% HB2 GLU- 50 - HG2 GLU- 18 7.143% * 0.0585% (0.96 1.0 1.00 0.02 0.02) = 0.058% HG3 GLU- 109 - HG2 GLU- 18 7.143% * 0.0456% (0.75 1.0 1.00 0.02 0.02) = 0.046% HB2 PRO 52 - HG2 GLU- 18 7.143% * 0.0456% (0.75 1.0 1.00 0.02 0.02) = 0.046% HB3 GLU- 45 - HG2 GLU- 18 7.143% * 0.0203% (0.33 1.0 1.00 0.02 0.02) = 0.020% HG3 GLU- 10 - HG2 GLU- 18 7.143% * 0.0149% (0.24 1.0 1.00 0.02 0.02) = 0.015% HB3 ASN 15 - HG2 GLU- 18 7.143% * 0.0092% (0.15 1.0 1.00 0.02 0.02) = 0.009% Peak 1823 (1.89, 1.89, 37.09 ppm): 1 diagonal assignment: * HG2 GLU- 18 - HG2 GLU- 18 (0.94) kept Peak 1824 (0.96, 2.13, 36.88 ppm): 7 chemical-shift based assignments, quality = 0.778, support = 0.758, residual support = 0.703: QG2 VAL 99 - HG2 GLU- 45 14.286% * 25.6243% (0.99 0.75 0.58) = 25.624% kept QG2 VAL 73 - HG2 GLU- 45 14.286% * 25.1142% (0.80 0.92 1.63) = 25.114% kept QG2 ILE 29 - HG2 GLU- 45 14.286% * 21.1017% (0.83 0.74 0.15) = 21.102% kept * QG2 VAL 62 - HG2 GLU- 45 14.286% * 16.9789% (0.68 0.72 0.50) = 16.979% kept QG2 VAL 105 - HG2 GLU- 45 14.286% * 6.8306% (0.28 0.72 0.32) = 6.831% kept QG1 VAL 105 - HG2 GLU- 45 14.286% * 2.6230% (0.34 0.22 0.32) = 2.623% kept QD1 LEU 17 - HG2 GLU- 45 14.286% * 1.7272% (0.31 0.16 0.02) = 1.727% kept Peak 1825 (9.09, 2.27, 36.54 ppm): 8 chemical-shift based assignments, quality = 0.197, support = 3.49, residual support = 16.8: * HN GLU- 54 - HG3 GLU- 54 12.500% * 90.5759% (0.20 3.84 18.51) = 90.576% kept HN LYS+ 66 - HG3 GLU- 54 12.500% * 5.9844% (0.25 0.20 0.02) = 5.984% kept HN LYS+ 66 - HG3 GLU- 75 12.500% * 1.1162% (0.46 0.02 0.02) = 1.116% kept HN GLU- 54 - HG3 GLU- 75 12.500% * 0.8607% (0.36 0.02 0.02) = 0.861% HN LYS+ 66 - HG3 GLU- 107 12.500% * 0.5887% (0.24 0.02 0.02) = 0.589% HN GLU- 54 - HG3 GLU- 107 12.500% * 0.4539% (0.19 0.02 0.02) = 0.454% HN LYS+ 66 - HG3 GLU- 10 12.500% * 0.2372% (0.10 0.02 0.02) = 0.237% HN GLU- 54 - HG3 GLU- 10 12.500% * 0.1829% (0.08 0.02 0.02) = 0.183% Peak 1826 (8.96, 1.37, 36.77 ppm): 6 chemical-shift based assignments, quality = 0.793, support = 3.14, residual support = 13.5: HN MET 97 - HB3 LYS+ 20 16.667% * 38.6218% (0.98 4.34 7.88) = 38.622% kept HN ILE 19 - HB3 LYS+ 20 16.667% * 21.1635% (0.72 3.25 45.44) = 21.164% kept * HN PHE 21 - HB3 LYS+ 20 16.667% * 11.9764% (0.44 2.98 4.40) = 11.976% kept HN LEU 17 - HB3 LYS+ 20 16.667% * 11.6289% (0.97 1.32 1.08) = 11.629% kept HN THR 96 - HB3 LYS+ 20 16.667% * 9.5963% (0.56 1.89 1.81) = 9.596% kept HN ARG+ 22 - HB3 LYS+ 20 16.667% * 7.0131% (0.64 1.21 0.25) = 7.013% kept Peak 1827 (8.36, 2.23, 36.64 ppm): 20 chemical-shift based assignments, quality = 0.756, support = 1.84, residual support = 5.36: * HN GLU- 109 - HG3 GLU- 109 5.000% * 37.3967% (0.91 1.82 6.66) = 37.397% kept HN LYS+ 108 - HG3 GLU- 109 5.000% * 36.0351% (0.93 1.71 4.61) = 36.035% kept HN LYS+ 108 - HG3 GLU- 107 5.000% * 20.3597% (0.35 2.57 5.96) = 20.360% kept HN GLU- 109 - HG3 GLU- 107 5.000% * 3.4515% (0.34 0.44 0.02) = 3.451% kept HN ALA 103 - HG3 GLU- 109 5.000% * 0.4268% (0.94 0.02 0.02) = 0.427% HN GLY 71 - HG3 GLU- 109 5.000% * 0.3162% (0.70 0.02 0.02) = 0.316% HN ALA 103 - HG3 GLU- 10 5.000% * 0.2164% (0.48 0.02 0.02) = 0.216% HN LYS+ 108 - HG3 GLU- 10 5.000% * 0.2130% (0.47 0.02 0.02) = 0.213% HN GLU- 109 - HG3 GLU- 10 5.000% * 0.2088% (0.46 0.02 0.02) = 0.209% HN GLU- 50 - HG3 GLU- 109 5.000% * 0.1952% (0.43 0.02 0.02) = 0.195% HN ALA 103 - HG3 GLU- 107 5.000% * 0.1610% (0.35 0.02 0.02) = 0.161% HN GLY 71 - HG3 GLU- 10 5.000% * 0.1603% (0.35 0.02 0.02) = 0.160% HN ALA 103 - HG3 GLU- 54 5.000% * 0.1368% (0.30 0.02 0.02) = 0.137% HN LYS+ 108 - HG3 GLU- 54 5.000% * 0.1347% (0.30 0.02 0.02) = 0.135% HN GLU- 109 - HG3 GLU- 54 5.000% * 0.1320% (0.29 0.02 0.02) = 0.132% HN GLY 71 - HG3 GLU- 107 5.000% * 0.1193% (0.26 0.02 0.02) = 0.119% HN GLY 71 - HG3 GLU- 54 5.000% * 0.1013% (0.22 0.02 0.02) = 0.101% HN GLU- 50 - HG3 GLU- 10 5.000% * 0.0990% (0.22 0.02 0.02) = 0.099% HN GLU- 50 - HG3 GLU- 107 5.000% * 0.0736% (0.16 0.02 0.02) = 0.074% HN GLU- 50 - HG3 GLU- 54 5.000% * 0.0626% (0.14 0.02 0.02) = 0.063% Peak 1828 (8.34, 2.34, 36.71 ppm): 16 chemical-shift based assignments, quality = 0.432, support = 3.14, residual support = 12.7: * HN GLU- 50 - HG3 GLU- 50 6.250% * 55.9094% (0.14 5.28 22.51) = 55.909% kept HN GLU- 50 - HG3 GLU- 56 6.250% * 35.7298% (0.90 0.53 0.46) = 35.730% kept HN ASN 76 - HG3 GLU- 56 6.250% * 2.9417% (0.39 0.10 0.02) = 2.942% kept HN GLU- 109 - HG3 GLU- 56 6.250% * 1.1846% (0.80 0.02 0.02) = 1.185% kept HN ALA 103 - HG3 GLU- 56 6.250% * 1.0838% (0.73 0.02 0.02) = 1.084% kept HN GLY 114 - HG3 GLU- 56 6.250% * 0.7462% (0.50 0.02 0.02) = 0.746% HN LYS+ 108 - HG3 GLU- 56 6.250% * 0.6903% (0.47 0.02 0.02) = 0.690% HN ASN 76 - HG3 GLU- 50 6.250% * 0.5099% (0.06 0.11 0.02) = 0.510% HN GLY 71 - HG3 GLU- 56 6.250% * 0.3157% (0.21 0.02 0.02) = 0.316% HN VAL 99 - HG3 GLU- 56 6.250% * 0.2188% (0.15 0.02 0.02) = 0.219% HN GLU- 109 - HG3 GLU- 50 6.250% * 0.1871% (0.13 0.02 0.02) = 0.187% HN ALA 103 - HG3 GLU- 50 6.250% * 0.1712% (0.12 0.02 0.02) = 0.171% HN GLY 114 - HG3 GLU- 50 6.250% * 0.1179% (0.08 0.02 0.21) = 0.118% HN LYS+ 108 - HG3 GLU- 50 6.250% * 0.1090% (0.07 0.02 0.02) = 0.109% HN GLY 71 - HG3 GLU- 50 6.250% * 0.0499% (0.03 0.02 0.02) = 0.050% HN VAL 99 - HG3 GLU- 50 6.250% * 0.0346% (0.02 0.02 0.02) = 0.035% Peak 1829 (4.74, 1.37, 36.77 ppm): 4 chemical-shift based assignments, quality = 0.645, support = 2.75, residual support = 32.0: * O HA LYS+ 20 - HB3 LYS+ 20 25.000% * 93.6566% (0.67 10.0 2.84 34.11) = 93.657% kept HA2 GLY 30 - HB3 LYS+ 20 25.000% * 4.2233% (0.36 1.0 1.65 0.16) = 4.223% kept HA THR 39 - HB3 LYS+ 20 25.000% * 2.0931% (0.30 1.0 0.99 0.50) = 2.093% kept HA THR 61 - HB3 LYS+ 20 25.000% * 0.0270% (0.19 1.0 0.02 0.12) = 0.027% Peak 1830 (4.53, 4.30, 36.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1832 (4.46, 2.33, 36.73 ppm): 16 chemical-shift based assignments, quality = 0.281, support = 2.01, residual support = 16.8: * O HA GLU- 50 - HG3 GLU- 50 6.250% * 74.1482% (0.12 10.0 2.42 22.51) = 74.148% kept HA GLU- 50 - HG3 GLU- 56 6.250% * 23.6293% (0.82 1.0 0.90 0.46) = 23.629% kept HA MET 118 - HG3 GLU- 56 6.250% * 0.4733% (0.74 1.0 0.02 0.02) = 0.473% HA GLN 102 - HG3 GLU- 56 6.250% * 0.3832% (0.60 1.0 0.02 0.02) = 0.383% HA ILE 100 - HG3 GLU- 56 6.250% * 0.3832% (0.60 1.0 0.02 0.02) = 0.383% HA MET 126 - HG3 GLU- 56 6.250% * 0.2777% (0.44 1.0 0.02 0.02) = 0.278% HA LYS+ 32 - HG3 GLU- 56 6.250% * 0.1800% (0.28 1.0 0.02 0.02) = 0.180% HB THR 24 - HG3 GLU- 56 6.250% * 0.1316% (0.21 1.0 0.02 0.02) = 0.132% HA LYS+ 111 - HG3 GLU- 56 6.250% * 0.1175% (0.18 1.0 0.02 0.02) = 0.117% HA MET 118 - HG3 GLU- 50 6.250% * 0.0671% (0.11 1.0 0.02 0.02) = 0.067% HA GLN 102 - HG3 GLU- 50 6.250% * 0.0543% (0.09 1.0 0.02 0.02) = 0.054% HA ILE 100 - HG3 GLU- 50 6.250% * 0.0543% (0.09 1.0 0.02 1.00) = 0.054% HA MET 126 - HG3 GLU- 50 6.250% * 0.0394% (0.06 1.0 0.02 0.02) = 0.039% HA LYS+ 32 - HG3 GLU- 50 6.250% * 0.0255% (0.04 1.0 0.02 0.02) = 0.026% HB THR 24 - HG3 GLU- 50 6.250% * 0.0187% (0.03 1.0 0.02 0.02) = 0.019% HA LYS+ 111 - HG3 GLU- 50 6.250% * 0.0167% (0.03 1.0 0.02 0.02) = 0.017% Peak 1835 (2.45, 2.46, 36.81 ppm): 1 diagonal assignment: * HG3 GLU- 45 - HG3 GLU- 45 (0.83) kept Peak 1836 (2.34, 2.33, 36.60 ppm): 1 diagonal assignment: HG3 GLU- 56 - HG3 GLU- 56 (0.71) kept Reference assignment not found: HG3 GLU- 50 - HG3 GLU- 50 Peak 1838 (2.13, 2.46, 36.81 ppm): 10 chemical-shift based assignments, quality = 0.9, support = 3.35, residual support = 68.9: * O T HG2 GLU- 45 - HG3 GLU- 45 10.000% * 93.3214% (0.91 10.0 10.00 3.55 73.84) = 93.321% kept HB VAL 105 - HG3 GLU- 45 10.000% * 2.6534% (0.84 1.0 1.00 0.61 0.32) = 2.653% kept HB3 GLU- 75 - HG3 GLU- 45 10.000% * 2.4113% (0.77 1.0 1.00 0.61 0.11) = 2.411% kept HG2 PRO 112 - HG3 GLU- 45 10.000% * 1.2851% (0.82 1.0 1.00 0.31 0.28) = 1.285% kept HB2 ASP- 28 - HG3 GLU- 45 10.000% * 0.0839% (0.82 1.0 1.00 0.02 0.02) = 0.084% HB2 GLU- 56 - HG3 GLU- 45 10.000% * 0.0679% (0.66 1.0 1.00 0.02 0.02) = 0.068% HB VAL 87 - HG3 GLU- 45 10.000% * 0.0642% (0.63 1.0 1.00 0.02 1.57) = 0.064% HB3 LYS+ 78 - HG3 GLU- 45 10.000% * 0.0419% (0.41 1.0 1.00 0.02 0.02) = 0.042% HB3 LEU 43 - HG3 GLU- 45 10.000% * 0.0419% (0.41 1.0 1.00 0.02 0.02) = 0.042% HB VAL 47 - HG3 GLU- 45 10.000% * 0.0289% (0.28 1.0 1.00 0.02 0.19) = 0.029% Peak 1843 (1.37, 1.37, 36.76 ppm): 1 diagonal assignment: * HB3 LYS+ 20 - HB3 LYS+ 20 (0.94) kept Peak 1846 (1.05, 1.37, 36.76 ppm): 1 chemical-shift based assignment, quality = 0.746, support = 4.21, residual support = 34.1: * O HG3 LYS+ 20 - HB3 LYS+ 20 100.000% *100.0000% (0.75 10.0 4.21 34.11) = 100.000% kept Peak 1847 (0.96, 2.46, 36.82 ppm): 7 chemical-shift based assignments, quality = 0.552, support = 0.75, residual support = 0.709: QG2 VAL 99 - HG3 GLU- 45 14.286% * 29.1573% (0.88 0.64 0.58) = 29.157% kept QG2 VAL 73 - HG3 GLU- 45 14.286% * 25.2064% (0.53 0.93 1.63) = 25.206% kept QG2 ILE 29 - HG3 GLU- 45 14.286% * 16.1841% (0.56 0.56 0.15) = 16.184% kept * QG2 VAL 62 - HG3 GLU- 45 14.286% * 10.7368% (0.42 0.50 0.50) = 10.737% kept QG1 VAL 105 - HG3 GLU- 45 14.286% * 10.0080% (0.16 1.19 0.32) = 10.008% kept QG2 VAL 105 - HG3 GLU- 45 14.286% * 6.0650% (0.13 0.93 0.32) = 6.065% kept QD1 LEU 17 - HG3 GLU- 45 14.286% * 2.6425% (0.14 0.36 0.02) = 2.642% kept Peak 1849 (0.69, 1.37, 36.75 ppm): 9 chemical-shift based assignments, quality = 0.871, support = 2.06, residual support = 14.3: T QG2 VAL 94 - HB3 LYS+ 20 11.111% * 53.9990% (0.98 10.00 1.57 4.01) = 53.999% kept * T QG2 THR 96 - HB3 LYS+ 20 11.111% * 18.8238% (0.48 10.00 1.13 1.81) = 18.824% kept QD1 ILE 19 - HB3 LYS+ 20 11.111% * 13.8702% (0.98 1.00 4.05 45.44) = 13.870% kept HG12 ILE 19 - HB3 LYS+ 20 11.111% * 12.1379% (0.97 1.00 3.56 45.44) = 12.138% kept QG1 VAL 62 - HB3 LYS+ 20 11.111% * 0.9257% (0.59 1.00 0.44 0.76) = 0.926% QG2 ILE 68 - HB3 LYS+ 20 11.111% * 0.0686% (0.98 1.00 0.02 0.02) = 0.069% QG2 ILE 48 - HB3 LYS+ 20 11.111% * 0.0685% (0.98 1.00 0.02 0.02) = 0.069% QG2 ILE 101 - HB3 LYS+ 20 11.111% * 0.0591% (0.84 1.00 0.02 0.02) = 0.059% QG1 VAL 65 - HB3 LYS+ 20 11.111% * 0.0472% (0.67 1.00 0.02 0.02) = 0.047% Peak 1850 (8.82, 1.59, 36.42 ppm): 3 chemical-shift based assignments, quality = 0.945, support = 2.51, residual support = 37.9: * O HN LYS+ 32 - HB3 LYS+ 32 33.333% * 99.8076% (0.95 10.0 2.51 37.97) = 99.808% kept HN LYS+ 60 - HB3 LYS+ 32 33.333% * 0.0972% (0.92 1.0 0.02 0.16) = 0.097% HN ASN 57 - HB3 LYS+ 32 33.333% * 0.0953% (0.90 1.0 0.02 0.02) = 0.095% Peak 1851 (8.76, 2.33, 36.49 ppm): 6 chemical-shift based assignments, quality = 0.276, support = 2.14, residual support = 11.8: HN GLU- 56 - HG3 GLU- 56 16.667% * 38.3682% (0.14 4.17 28.94) = 38.368% kept HN PHE 34 - HG3 GLU- 56 16.667% * 26.2622% (0.46 0.90 0.96) = 26.262% kept HN VAL 62 - HG3 GLU- 56 16.667% * 15.8719% (0.46 0.54 0.02) = 15.872% kept HN THR 95 - HG3 GLU- 56 16.667% * 12.7825% (0.16 1.26 2.82) = 12.782% kept HN SER 69 - HG3 GLU- 56 16.667% * 5.7946% (0.09 0.98 0.92) = 5.795% kept HN ILE 101 - HG3 GLU- 56 16.667% * 0.9206% (0.16 0.09 1.11) = 0.921% Peak 1852 (8.75, 2.06, 36.20 ppm): 5 chemical-shift based assignments, quality = 0.632, support = 5.41, residual support = 104.8: * O HN ILE 101 - HB ILE 101 20.000% * 81.4085% (0.61 10.0 6.34 128.54) = 81.408% kept HN VAL 62 - HB ILE 101 20.000% * 7.1631% (0.87 1.0 1.23 0.77) = 7.163% kept HN GLU- 56 - HB ILE 101 20.000% * 6.3139% (0.57 1.0 1.65 1.11) = 6.314% kept HN PHE 34 - HB ILE 101 20.000% * 5.0975% (0.72 1.0 1.06 0.49) = 5.097% kept HN THR 95 - HB ILE 101 20.000% * 0.0170% (0.13 1.0 0.02 0.02) = 0.017% Peak 1853 (8.44, 2.26, 36.43 ppm): 30 chemical-shift based assignments, quality = 0.453, support = 2.42, residual support = 22.1: HN LEU 74 - HG3 GLU- 75 3.333% * 55.8030% (0.62 2.98 27.89) = 55.803% kept HN ARG+ 53 - HG3 GLU- 54 3.333% * 17.8622% (0.31 1.93 31.86) = 17.862% kept HN GLU- 107 - HG3 GLU- 107 3.333% * 13.5600% (0.16 2.80 6.21) = 13.560% kept HN GLU- 107 - HG3 GLU- 75 3.333% * 2.8247% (0.26 0.36 0.02) = 2.825% kept HN CYS 123 - HG3 GLU- 54 3.333% * 2.7496% (0.29 0.31 0.30) = 2.750% kept HN LEU 74 - HG3 GLU- 54 3.333% * 1.9520% (0.36 0.18 0.02) = 1.952% kept HN GLY 92 - HG3 GLU- 75 3.333% * 1.3312% (0.14 0.32 0.02) = 1.331% kept HN LEU 74 - HG3 GLU- 107 3.333% * 1.0887% (0.39 0.09 0.72) = 1.089% kept HN LEU 74 - HG3 GLU- 10 3.333% * 0.3263% (0.54 0.02 0.02) = 0.326% HN ARG+ 53 - HG3 GLU- 75 3.333% * 0.3187% (0.53 0.02 0.02) = 0.319% HN CYS 123 - HG3 GLU- 75 3.333% * 0.3028% (0.50 0.02 0.02) = 0.303% HN ARG+ 53 - HG3 GLU- 10 3.333% * 0.2781% (0.46 0.02 0.02) = 0.278% HN CYS 123 - HG3 GLU- 10 3.333% * 0.2642% (0.44 0.02 0.02) = 0.264% HN ARG+ 53 - HG3 GLU- 107 3.333% * 0.1969% (0.33 0.02 0.02) = 0.197% HN CYS 123 - HG3 GLU- 107 3.333% * 0.1871% (0.31 0.02 0.02) = 0.187% HN GLU- 107 - HG3 GLU- 10 3.333% * 0.1366% (0.23 0.02 0.02) = 0.137% HN LYS+ 117 - HG3 GLU- 75 3.333% * 0.1159% (0.19 0.02 0.02) = 0.116% HN LYS+ 117 - HG3 GLU- 10 3.333% * 0.1012% (0.17 0.02 0.02) = 0.101% HN GLU- 107 - HG3 GLU- 54 3.333% * 0.0907% (0.15 0.02 0.02) = 0.091% HN GLY 92 - HG3 GLU- 10 3.333% * 0.0720% (0.12 0.02 0.02) = 0.072% HN LYS+ 117 - HG3 GLU- 107 3.333% * 0.0716% (0.12 0.02 0.02) = 0.072% HN LYS+ 117 - HG3 GLU- 54 3.333% * 0.0672% (0.11 0.02 0.02) = 0.067% HN LEU 74 - HG3 GLU- 109 3.333% * 0.0556% (0.09 0.02 0.02) = 0.056% HN GLY 92 - HG3 GLU- 107 3.333% * 0.0510% (0.08 0.02 0.02) = 0.051% HN GLY 92 - HG3 GLU- 54 3.333% * 0.0478% (0.08 0.02 0.02) = 0.048% HN ARG+ 53 - HG3 GLU- 109 3.333% * 0.0474% (0.08 0.02 0.02) = 0.047% HN CYS 123 - HG3 GLU- 109 3.333% * 0.0450% (0.07 0.02 0.02) = 0.045% HN GLU- 107 - HG3 GLU- 109 3.333% * 0.0233% (0.04 0.02 0.02) = 0.023% HN LYS+ 117 - HG3 GLU- 109 3.333% * 0.0172% (0.03 0.02 0.02) = 0.017% HN GLY 92 - HG3 GLU- 109 3.333% * 0.0123% (0.02 0.02 0.02) = 0.012% Peak 1854 (8.20, 1.59, 36.43 ppm): 7 chemical-shift based assignments, quality = 0.807, support = 4.32, residual support = 16.6: * HN ALA 33 - HB3 LYS+ 32 14.286% * 97.3859% (0.83 4.43 17.00) = 97.386% kept HN SER 49 - HB3 LYS+ 32 14.286% * 1.1201% (0.13 0.33 0.02) = 1.120% kept HN GLU- 45 - HB3 LYS+ 32 14.286% * 0.4234% (0.80 0.02 0.02) = 0.423% HN ALA 11 - HB3 LYS+ 32 14.286% * 0.3874% (0.73 0.02 0.02) = 0.387% HN VAL 105 - HB3 LYS+ 32 14.286% * 0.3075% (0.58 0.02 0.02) = 0.307% HN VAL 94 - HB3 LYS+ 32 14.286% * 0.2870% (0.54 0.02 0.02) = 0.287% HN GLN 16 - HB3 LYS+ 32 14.286% * 0.0888% (0.17 0.02 0.02) = 0.089% Peak 1855 (7.35, 1.59, 36.42 ppm): 5 chemical-shift based assignments, quality = 0.517, support = 3.69, residual support = 18.0: * QE PHE 34 - HB3 LYS+ 32 20.000% * 36.1431% (0.55 4.37 21.84) = 36.143% kept HZ PHE 34 - HB3 LYS+ 32 20.000% * 35.3758% (0.55 4.28 21.84) = 35.376% kept QD PHE 34 - HB3 LYS+ 32 20.000% * 9.8580% (0.17 3.86 21.84) = 9.858% kept HZ2 TRP 51 - HB3 LYS+ 32 20.000% * 9.7528% (0.55 1.18 1.20) = 9.753% kept HE22 GLN 102 - HB3 LYS+ 32 20.000% * 8.8703% (0.55 1.07 1.27) = 8.870% kept Peak 1856 (4.49, 1.59, 36.43 ppm): 9 chemical-shift based assignments, quality = 0.914, support = 4.26, residual support = 37.8: * O HA LYS+ 32 - HB3 LYS+ 32 11.111% * 99.4934% (0.92 10.0 4.28 37.97) = 99.493% kept HA SER 77 - HB3 LYS+ 32 11.111% * 0.0967% (0.89 1.0 0.02 0.02) = 0.097% HA CYS 123 - HB3 LYS+ 32 11.111% * 0.0967% (0.89 1.0 0.02 0.02) = 0.097% HA MET 126 - HB3 LYS+ 32 11.111% * 0.0824% (0.76 1.0 0.02 0.02) = 0.082% HA GLN 102 - HB3 LYS+ 32 11.111% * 0.0610% (0.56 1.0 0.02 1.27) = 0.061% HA ILE 100 - HB3 LYS+ 32 11.111% * 0.0610% (0.56 1.0 0.02 0.02) = 0.061% HB THR 79 - HB3 LYS+ 32 11.111% * 0.0610% (0.56 1.0 0.02 0.02) = 0.061% HA LYS+ 55 - HB3 LYS+ 32 11.111% * 0.0333% (0.31 1.0 0.02 1.22) = 0.033% HA GLU- 50 - HB3 LYS+ 32 11.111% * 0.0146% (0.13 1.0 0.02 0.02) = 0.015% Peak 1857 (4.24, 2.24, 36.46 ppm): 80 chemical-shift based assignments, quality = 0.545, support = 2.06, residual support = 9.14: O HA GLU- 10 - HG3 GLU- 10 1.250% * 36.3836% (0.96 10.0 1.00 2.31 9.88) = 36.384% kept T HA LYS+ 108 - HG3 GLU- 107 1.250% * 13.4458% (0.42 1.0 10.00 1.71 5.96) = 13.446% kept T HA LYS+ 108 - HG3 GLU- 109 1.250% * 12.5274% (0.33 1.0 10.00 2.44 4.61) = 12.527% kept O HA GLU- 54 - HG3 GLU- 54 1.250% * 11.8888% (0.36 10.0 1.00 1.74 18.51) = 11.889% kept O HA GLU- 109 - HG3 GLU- 109 1.250% * 10.1207% (0.27 10.0 1.00 2.02 6.66) = 10.121% kept O T HA GLU- 107 - HG3 GLU- 107 1.250% * 7.7045% (0.20 10.0 10.00 2.19 6.21) = 7.705% kept O T HA GLU- 75 - HG3 GLU- 75 1.250% * 3.1885% (0.08 10.0 10.00 2.62 24.11) = 3.188% kept HA ALA 11 - HG3 GLU- 10 1.250% * 1.4970% (0.59 1.0 1.00 1.34 2.95) = 1.497% kept T HA ALA 42 - HG3 GLU- 10 1.250% * 0.3598% (0.95 1.0 10.00 0.02 0.02) = 0.360% T HB3 SER 49 - HG3 GLU- 10 1.250% * 0.1569% (0.42 1.0 10.00 0.02 0.02) = 0.157% T HA GLU- 10 - HG3 GLU- 107 1.250% * 0.1569% (0.42 1.0 10.00 0.02 0.02) = 0.157% T HA LYS+ 108 - HG3 GLU- 75 1.250% * 0.1419% (0.38 1.0 10.00 0.02 0.02) = 0.142% T HA GLU- 10 - HG3 GLU- 75 1.250% * 0.1419% (0.38 1.0 10.00 0.02 0.02) = 0.142% T HA LYS+ 108 - HG3 GLU- 54 1.250% * 0.1368% (0.36 1.0 10.00 0.02 0.02) = 0.137% T HA GLU- 10 - HG3 GLU- 54 1.250% * 0.1368% (0.36 1.0 10.00 0.02 0.02) = 0.137% T HA GLU- 10 - HG3 GLU- 109 1.250% * 0.1253% (0.33 1.0 10.00 0.02 0.02) = 0.125% T HA ALA 42 - HG3 GLU- 109 1.250% * 0.1239% (0.33 1.0 10.00 0.02 0.02) = 0.124% T HA ASN 76 - HG3 GLU- 107 1.250% * 0.0833% (0.22 1.0 10.00 0.02 0.02) = 0.083% T HA ASN 119 - HG3 GLU- 107 1.250% * 0.0770% (0.20 1.0 10.00 0.02 0.02) = 0.077% T HA GLU- 12 - HG3 GLU- 107 1.250% * 0.0770% (0.20 1.0 10.00 0.02 0.02) = 0.077% T HA ASN 76 - HG3 GLU- 75 1.250% * 0.0753% (0.20 1.0 10.00 0.02 0.02) = 0.075% T HA ASN 76 - HG3 GLU- 54 1.250% * 0.0726% (0.19 1.0 10.00 0.02 0.02) = 0.073% T HA GLU- 12 - HG3 GLU- 75 1.250% * 0.0697% (0.18 1.0 10.00 0.02 0.02) = 0.070% T HA GLU- 107 - HG3 GLU- 75 1.250% * 0.0697% (0.18 1.0 10.00 0.02 0.02) = 0.070% T HA ASN 119 - HG3 GLU- 75 1.250% * 0.0697% (0.18 1.0 10.00 0.02 0.02) = 0.070% T HB3 SER 49 - HG3 GLU- 107 1.250% * 0.0677% (0.18 1.0 10.00 0.02 0.02) = 0.068% T HA GLU- 107 - HG3 GLU- 54 1.250% * 0.0672% (0.18 1.0 10.00 0.02 0.02) = 0.067% T HA GLU- 12 - HG3 GLU- 54 1.250% * 0.0672% (0.18 1.0 10.00 0.02 0.02) = 0.067% T HA ASN 119 - HG3 GLU- 54 1.250% * 0.0672% (0.18 1.0 10.00 0.02 0.02) = 0.067% T HA GLU- 12 - HG3 GLU- 109 1.250% * 0.0615% (0.16 1.0 10.00 0.02 0.02) = 0.062% T HA GLU- 107 - HG3 GLU- 109 1.250% * 0.0615% (0.16 1.0 10.00 0.02 0.02) = 0.062% T HB3 SER 49 - HG3 GLU- 109 1.250% * 0.0540% (0.14 1.0 10.00 0.02 0.02) = 0.054% HA LYS+ 108 - HG3 GLU- 10 1.250% * 0.0364% (0.96 1.0 1.00 0.02 0.02) = 0.036% HA GLU- 54 - HG3 GLU- 10 1.250% * 0.0364% (0.96 1.0 1.00 0.02 0.02) = 0.036% T HA GLU- 75 - HG3 GLU- 107 1.250% * 0.0352% (0.09 1.0 10.00 0.02 0.02) = 0.035% HA SER 49 - HG3 GLU- 10 1.250% * 0.0347% (0.92 1.0 1.00 0.02 0.02) = 0.035% T HA GLU- 64 - HG3 GLU- 107 1.250% * 0.0313% (0.08 1.0 10.00 0.02 0.02) = 0.031% T HA GLU- 75 - HG3 GLU- 54 1.250% * 0.0307% (0.08 1.0 10.00 0.02 0.02) = 0.031% HA PRO 59 - HG3 GLU- 10 1.250% * 0.0307% (0.81 1.0 1.00 0.02 0.02) = 0.031% HA GLU- 109 - HG3 GLU- 10 1.250% * 0.0294% (0.78 1.0 1.00 0.02 0.02) = 0.029% T HA GLU- 64 - HG3 GLU- 75 1.250% * 0.0283% (0.07 1.0 10.00 0.02 0.02) = 0.028% T HA GLU- 64 - HG3 GLU- 54 1.250% * 0.0273% (0.07 1.0 10.00 0.02 0.02) = 0.027% HA ASN 76 - HG3 GLU- 10 1.250% * 0.0193% (0.51 1.0 1.00 0.02 0.02) = 0.019% HA GLU- 12 - HG3 GLU- 10 1.250% * 0.0179% (0.47 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 107 - HG3 GLU- 10 1.250% * 0.0179% (0.47 1.0 1.00 0.02 0.02) = 0.018% HA ASN 119 - HG3 GLU- 10 1.250% * 0.0179% (0.47 1.0 1.00 0.02 0.02) = 0.018% T HA ASP- 82 - HG3 GLU- 109 1.250% * 0.0171% (0.05 1.0 10.00 0.02 0.02) = 0.017% HA GLU- 54 - HG3 GLU- 107 1.250% * 0.0157% (0.42 1.0 1.00 0.02 0.02) = 0.016% HA ALA 42 - HG3 GLU- 107 1.250% * 0.0155% (0.41 1.0 1.00 0.02 0.02) = 0.016% HA SER 49 - HG3 GLU- 107 1.250% * 0.0150% (0.40 1.0 1.00 0.02 0.02) = 0.015% HA GLU- 54 - HG3 GLU- 75 1.250% * 0.0142% (0.38 1.0 1.00 0.02 0.02) = 0.014% HA ALA 42 - HG3 GLU- 75 1.250% * 0.0140% (0.37 1.0 1.00 0.02 0.02) = 0.014% HA SER 49 - HG3 GLU- 75 1.250% * 0.0135% (0.36 1.0 1.00 0.02 0.02) = 0.014% HA ALA 42 - HG3 GLU- 54 1.250% * 0.0135% (0.36 1.0 1.00 0.02 0.02) = 0.014% HA PRO 59 - HG3 GLU- 107 1.250% * 0.0132% (0.35 1.0 1.00 0.02 0.02) = 0.013% HA SER 49 - HG3 GLU- 54 1.250% * 0.0131% (0.35 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 109 - HG3 GLU- 107 1.250% * 0.0127% (0.34 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 54 - HG3 GLU- 109 1.250% * 0.0125% (0.33 1.0 1.00 0.02 0.02) = 0.013% HA PRO 59 - HG3 GLU- 75 1.250% * 0.0120% (0.32 1.0 1.00 0.02 0.22) = 0.012% HA SER 49 - HG3 GLU- 109 1.250% * 0.0120% (0.32 1.0 1.00 0.02 0.02) = 0.012% HA PRO 59 - HG3 GLU- 54 1.250% * 0.0115% (0.30 1.0 1.00 0.02 0.02) = 0.012% HA GLU- 109 - HG3 GLU- 75 1.250% * 0.0115% (0.30 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 109 - HG3 GLU- 54 1.250% * 0.0110% (0.29 1.0 1.00 0.02 0.02) = 0.011% HA PRO 59 - HG3 GLU- 109 1.250% * 0.0106% (0.28 1.0 1.00 0.02 0.02) = 0.011% HA ALA 11 - HG3 GLU- 107 1.250% * 0.0096% (0.25 1.0 1.00 0.02 0.02) = 0.010% HA ALA 11 - HG3 GLU- 75 1.250% * 0.0087% (0.23 1.0 1.00 0.02 0.02) = 0.009% HA ALA 11 - HG3 GLU- 54 1.250% * 0.0084% (0.22 1.0 1.00 0.02 0.02) = 0.008% HA GLU- 75 - HG3 GLU- 10 1.250% * 0.0082% (0.22 1.0 1.00 0.02 0.02) = 0.008% HA ALA 11 - HG3 GLU- 109 1.250% * 0.0077% (0.20 1.0 1.00 0.02 0.02) = 0.008% HA GLU- 64 - HG3 GLU- 10 1.250% * 0.0073% (0.19 1.0 1.00 0.02 0.02) = 0.007% HA ASN 76 - HG3 GLU- 109 1.250% * 0.0066% (0.18 1.0 1.00 0.02 0.02) = 0.007% HA ASN 119 - HG3 GLU- 109 1.250% * 0.0062% (0.16 1.0 1.00 0.02 0.02) = 0.006% HB3 SER 49 - HG3 GLU- 75 1.250% * 0.0061% (0.16 1.0 1.00 0.02 0.02) = 0.006% HB3 SER 49 - HG3 GLU- 54 1.250% * 0.0059% (0.16 1.0 1.00 0.02 0.02) = 0.006% HA ASP- 82 - HG3 GLU- 10 1.250% * 0.0050% (0.13 1.0 1.00 0.02 0.02) = 0.005% HA GLU- 75 - HG3 GLU- 109 1.250% * 0.0028% (0.07 1.0 1.00 0.02 0.02) = 0.003% HA GLU- 64 - HG3 GLU- 109 1.250% * 0.0025% (0.07 1.0 1.00 0.02 0.02) = 0.003% HA ASP- 82 - HG3 GLU- 107 1.250% * 0.0021% (0.06 1.0 1.00 0.02 0.02) = 0.002% HA ASP- 82 - HG3 GLU- 75 1.250% * 0.0019% (0.05 1.0 1.00 0.02 0.02) = 0.002% HA ASP- 82 - HG3 GLU- 54 1.250% * 0.0019% (0.05 1.0 1.00 0.02 0.62) = 0.002% Peak 1874 (2.24, 2.24, 36.44 ppm): 5 diagonal assignments: * HG3 GLU- 10 - HG3 GLU- 10 (0.99) kept HG3 GLU- 107 - HG3 GLU- 107 (0.21) kept HG3 GLU- 109 - HG3 GLU- 109 (0.20) kept HG3 GLU- 54 - HG3 GLU- 54 (0.15) kept HG3 GLU- 75 - HG3 GLU- 75 (0.05) kept Peak 1879 (2.01, 2.25, 36.44 ppm): 80 chemical-shift based assignments, quality = 0.449, support = 2.01, residual support = 10.5: * O HB3 GLU- 10 - HG3 GLU- 10 1.250% * 46.2571% (0.66 10.0 1.00 2.47 9.88) = 46.257% kept O T HB3 GLU- 107 - HG3 GLU- 107 1.250% * 25.9772% (0.37 10.0 10.00 2.11 6.21) = 25.977% kept O HB3 GLU- 54 - HG3 GLU- 54 1.250% * 10.6149% (0.20 10.0 1.00 1.52 18.51) = 10.615% kept O T HB3 GLU- 75 - HG3 GLU- 75 1.250% * 9.8031% (0.14 10.0 10.00 1.48 24.11) = 9.803% kept T HB3 GLU- 107 - HG3 GLU- 75 1.250% * 3.9828% (0.37 1.0 10.00 0.30 0.02) = 3.983% kept T HB2 HIS+ 14 - HG3 GLU- 75 1.250% * 0.2750% (0.39 1.0 10.00 0.02 0.13) = 0.275% T HB2 HIS+ 14 - HG3 GLU- 107 1.250% * 0.2716% (0.39 1.0 10.00 0.02 0.02) = 0.272% T HB2 HIS+ 14 - HG3 GLU- 54 1.250% * 0.2379% (0.34 1.0 10.00 0.02 0.02) = 0.238% T HB3 GLU- 107 - HG3 GLU- 54 1.250% * 0.2276% (0.32 1.0 10.00 0.02 0.02) = 0.228% T HB3 GLU- 10 - HG3 GLU- 75 1.250% * 0.1957% (0.28 1.0 10.00 0.02 0.02) = 0.196% T HB3 GLU- 10 - HG3 GLU- 107 1.250% * 0.1933% (0.27 1.0 10.00 0.02 0.02) = 0.193% T HB3 GLU- 10 - HG3 GLU- 54 1.250% * 0.1693% (0.24 1.0 10.00 0.02 0.02) = 0.169% T HG3 GLU- 64 - HG3 GLU- 75 1.250% * 0.1499% (0.21 1.0 10.00 0.02 0.02) = 0.150% T HB3 GLU- 75 - HG3 GLU- 107 1.250% * 0.0968% (0.14 1.0 10.00 0.02 0.02) = 0.097% T HB3 GLU- 75 - HG3 GLU- 54 1.250% * 0.0848% (0.12 1.0 10.00 0.02 0.02) = 0.085% HB2 GLU- 18 - HG3 GLU- 10 1.250% * 0.0672% (0.95 1.0 1.00 0.02 0.02) = 0.067% HG3 PRO 112 - HG3 GLU- 10 1.250% * 0.0667% (0.95 1.0 1.00 0.02 0.02) = 0.067% HB2 HIS+ 14 - HG3 GLU- 10 1.250% * 0.0650% (0.92 1.0 1.00 0.02 0.02) = 0.065% HB3 MET 118 - HG3 GLU- 10 1.250% * 0.0650% (0.92 1.0 1.00 0.02 0.02) = 0.065% HG2 PRO 116 - HG3 GLU- 10 1.250% * 0.0637% (0.90 1.0 1.00 0.02 0.02) = 0.064% HB3 GLU- 107 - HG3 GLU- 10 1.250% * 0.0622% (0.88 1.0 1.00 0.02 0.02) = 0.062% HB3 PRO 31 - HG3 GLU- 10 1.250% * 0.0515% (0.73 1.0 1.00 0.02 0.02) = 0.051% HB3 GLU- 64 - HG3 GLU- 10 1.250% * 0.0463% (0.66 1.0 1.00 0.02 0.02) = 0.046% HG2 PRO 112 - HG3 GLU- 10 1.250% * 0.0386% (0.55 1.0 1.00 0.02 0.02) = 0.039% HB3 GLU- 54 - HG3 GLU- 10 1.250% * 0.0381% (0.54 1.0 1.00 0.02 0.02) = 0.038% HG3 GLU- 64 - HG3 GLU- 10 1.250% * 0.0354% (0.50 1.0 1.00 0.02 0.02) = 0.035% HB2 GLU- 18 - HG3 GLU- 75 1.250% * 0.0284% (0.40 1.0 1.00 0.02 0.02) = 0.028% HG3 PRO 112 - HG3 GLU- 75 1.250% * 0.0282% (0.40 1.0 1.00 0.02 0.30) = 0.028% HB2 GLU- 18 - HG3 GLU- 107 1.250% * 0.0281% (0.40 1.0 1.00 0.02 0.02) = 0.028% HG3 PRO 112 - HG3 GLU- 107 1.250% * 0.0279% (0.40 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 118 - HG3 GLU- 75 1.250% * 0.0275% (0.39 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 118 - HG3 GLU- 107 1.250% * 0.0272% (0.39 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 116 - HG3 GLU- 75 1.250% * 0.0270% (0.38 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 116 - HG3 GLU- 107 1.250% * 0.0266% (0.38 1.0 1.00 0.02 0.02) = 0.027% HB2 GLU- 18 - HG3 GLU- 54 1.250% * 0.0246% (0.35 1.0 1.00 0.02 0.02) = 0.025% HG3 PRO 112 - HG3 GLU- 54 1.250% * 0.0244% (0.35 1.0 1.00 0.02 0.12) = 0.024% HB3 MET 118 - HG3 GLU- 54 1.250% * 0.0238% (0.34 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 116 - HG3 GLU- 54 1.250% * 0.0233% (0.33 1.0 1.00 0.02 0.02) = 0.023% HB3 GLU- 75 - HG3 GLU- 10 1.250% * 0.0232% (0.33 1.0 1.00 0.02 0.02) = 0.023% HB3 PRO 31 - HG3 GLU- 75 1.250% * 0.0218% (0.31 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 31 - HG3 GLU- 107 1.250% * 0.0215% (0.30 1.0 1.00 0.02 0.02) = 0.022% HB3 GLU- 64 - HG3 GLU- 75 1.250% * 0.0196% (0.28 1.0 1.00 0.02 0.02) = 0.020% HB3 GLU- 64 - HG3 GLU- 107 1.250% * 0.0193% (0.27 1.0 1.00 0.02 0.02) = 0.019% HB2 GLU- 18 - HG3 GLU- 109 1.250% * 0.0193% (0.27 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 112 - HG3 GLU- 109 1.250% * 0.0192% (0.27 1.0 1.00 0.02 0.02) = 0.019% HB3 PRO 31 - HG3 GLU- 54 1.250% * 0.0188% (0.27 1.0 1.00 0.02 0.02) = 0.019% HB3 MET 118 - HG3 GLU- 109 1.250% * 0.0187% (0.26 1.0 1.00 0.02 0.02) = 0.019% HB2 HIS+ 14 - HG3 GLU- 109 1.250% * 0.0187% (0.26 1.0 1.00 0.02 0.02) = 0.019% HG2 PRO 116 - HG3 GLU- 109 1.250% * 0.0183% (0.26 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 107 - HG3 GLU- 109 1.250% * 0.0179% (0.25 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 64 - HG3 GLU- 54 1.250% * 0.0169% (0.24 1.0 1.00 0.02 0.02) = 0.017% HB2 LYS+ 108 - HG3 GLU- 10 1.250% * 0.0168% (0.24 1.0 1.00 0.02 0.02) = 0.017% HB3 LYS+ 110 - HG3 GLU- 10 1.250% * 0.0168% (0.24 1.0 1.00 0.02 0.02) = 0.017% HG2 PRO 112 - HG3 GLU- 75 1.250% * 0.0163% (0.23 1.0 1.00 0.02 0.30) = 0.016% HB3 GLU- 54 - HG3 GLU- 75 1.250% * 0.0161% (0.23 1.0 1.00 0.02 0.02) = 0.016% HG2 PRO 112 - HG3 GLU- 107 1.250% * 0.0161% (0.23 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 54 - HG3 GLU- 107 1.250% * 0.0159% (0.23 1.0 1.00 0.02 0.02) = 0.016% HG3 GLU- 64 - HG3 GLU- 107 1.250% * 0.0148% (0.21 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 31 - HG3 GLU- 109 1.250% * 0.0148% (0.21 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 112 - HG3 GLU- 54 1.250% * 0.0141% (0.20 1.0 1.00 0.02 0.12) = 0.014% HB3 GLU- 64 - HG3 GLU- 109 1.250% * 0.0133% (0.19 1.0 1.00 0.02 0.02) = 0.013% HB3 GLU- 10 - HG3 GLU- 109 1.250% * 0.0133% (0.19 1.0 1.00 0.02 0.02) = 0.013% HG3 GLU- 64 - HG3 GLU- 54 1.250% * 0.0130% (0.18 1.0 1.00 0.02 0.02) = 0.013% HG2 PRO 112 - HG3 GLU- 109 1.250% * 0.0111% (0.16 1.0 1.00 0.02 0.02) = 0.011% HB3 GLU- 54 - HG3 GLU- 109 1.250% * 0.0109% (0.16 1.0 1.00 0.02 0.02) = 0.011% HG3 GLU- 64 - HG3 GLU- 109 1.250% * 0.0102% (0.14 1.0 1.00 0.02 0.02) = 0.010% HB2 PRO 86 - HG3 GLU- 10 1.250% * 0.0091% (0.13 1.0 1.00 0.02 0.02) = 0.009% HB2 LYS+ 108 - HG3 GLU- 75 1.250% * 0.0071% (0.10 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 110 - HG3 GLU- 75 1.250% * 0.0071% (0.10 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 108 - HG3 GLU- 107 1.250% * 0.0070% (0.10 1.0 1.00 0.02 5.96) = 0.007% HB3 LYS+ 110 - HG3 GLU- 107 1.250% * 0.0070% (0.10 1.0 1.00 0.02 0.02) = 0.007% HB3 GLU- 75 - HG3 GLU- 109 1.250% * 0.0067% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 108 - HG3 GLU- 54 1.250% * 0.0061% (0.09 1.0 1.00 0.02 0.02) = 0.006% HB3 LYS+ 110 - HG3 GLU- 54 1.250% * 0.0061% (0.09 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 108 - HG3 GLU- 109 1.250% * 0.0048% (0.07 1.0 1.00 0.02 4.61) = 0.005% HB3 LYS+ 110 - HG3 GLU- 109 1.250% * 0.0048% (0.07 1.0 1.00 0.02 5.17) = 0.005% HB2 PRO 86 - HG3 GLU- 75 1.250% * 0.0039% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB2 PRO 86 - HG3 GLU- 107 1.250% * 0.0038% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB2 PRO 86 - HG3 GLU- 54 1.250% * 0.0033% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB2 PRO 86 - HG3 GLU- 109 1.250% * 0.0026% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 1882 (1.59, 1.59, 36.44 ppm): 1 diagonal assignment: * HB3 LYS+ 32 - HB3 LYS+ 32 (0.97) kept Peak 1891 (0.56, 2.08, 36.16 ppm): 3 chemical-shift based assignments, quality = 0.861, support = 5.57, residual support = 128.5: * O T QD1 ILE 101 - HB ILE 101 33.333% * 99.9416% (0.86 10.0 10.00 5.57 128.54) = 99.942% kept QG2 VAL 122 - HB ILE 101 33.333% * 0.0353% (0.30 1.0 1.00 0.02 0.02) = 0.035% QD1 LEU 23 - HB ILE 101 33.333% * 0.0231% (0.20 1.0 1.00 0.02 0.50) = 0.023% Peak 1894 (2.07, 2.06, 36.16 ppm): 1 diagonal assignment: * HB ILE 101 - HB ILE 101 (0.71) kept Peak 1895 (1.63, 2.06, 36.09 ppm): 10 chemical-shift based assignments, quality = 0.752, support = 4.4, residual support = 127.7: * O HG12 ILE 101 - HB ILE 101 10.000% * 99.3643% (0.76 10.0 4.43 128.54) = 99.364% kept HG LEU 23 - HB ILE 101 10.000% * 0.0994% (0.76 1.0 0.02 0.50) = 0.099% HB ILE 68 - HB ILE 101 10.000% * 0.0987% (0.75 1.0 0.02 0.10) = 0.099% HG LEU 43 - HB ILE 101 10.000% * 0.0987% (0.75 1.0 0.02 0.02) = 0.099% HB VAL 122 - HB ILE 101 10.000% * 0.0987% (0.75 1.0 0.02 0.02) = 0.099% HG3 LYS+ 78 - HB ILE 101 10.000% * 0.0832% (0.63 1.0 0.02 0.02) = 0.083% HG2 ARG+ 22 - HB ILE 101 10.000% * 0.0524% (0.40 1.0 0.02 3.44) = 0.052% HG2 LYS+ 110 - HB ILE 101 10.000% * 0.0485% (0.37 1.0 0.02 0.77) = 0.048% HB3 PRO 52 - HB ILE 101 10.000% * 0.0340% (0.26 1.0 0.02 0.02) = 0.034% HD3 LYS+ 32 - HB ILE 101 10.000% * 0.0222% (0.17 1.0 0.02 1.04) = 0.022% Peak 1896 (1.28, 2.07, 36.14 ppm): 6 chemical-shift based assignments, quality = 0.887, support = 4.37, residual support = 126.8: * O HG13 ILE 101 - HB ILE 101 16.667% * 98.6661% (0.89 10.0 4.43 128.54) = 98.666% kept HG2 LYS+ 32 - HB ILE 101 16.667% * 1.0226% (0.58 1.0 0.32 1.04) = 1.023% kept HG2 LYS+ 81 - HB ILE 101 16.667% * 0.0961% (0.87 1.0 0.02 0.02) = 0.096% HB3 LEU 74 - HB ILE 101 16.667% * 0.0831% (0.75 1.0 0.02 0.02) = 0.083% HB2 LYS+ 55 - HB ILE 101 16.667% * 0.0797% (0.72 1.0 0.02 0.02) = 0.080% QB ALA 103 - HB ILE 101 16.667% * 0.0524% (0.47 1.0 0.02 0.02) = 0.052% Peak 1897 (0.72, 2.07, 36.17 ppm): 11 chemical-shift based assignments, quality = 0.767, support = 5.77, residual support = 116.1: * O QG2 ILE 101 - HB ILE 101 9.091% * 90.2059% (0.77 10.0 6.33 128.54) = 90.206% kept QG2 ILE 48 - HB ILE 101 9.091% * 2.6406% (0.76 1.0 0.60 0.14) = 2.641% kept QG2 VAL 65 - HB ILE 101 9.091% * 2.4981% (0.57 1.0 0.75 5.60) = 2.498% kept QG1 VAL 40 - HB ILE 101 9.091% * 2.4281% (0.68 1.0 0.61 0.59) = 2.428% kept HG LEU 74 - HB ILE 101 9.091% * 1.9224% (0.94 1.0 0.35 0.02) = 1.922% kept QG2 THR 96 - HB ILE 101 9.091% * 0.0798% (0.68 1.0 0.02 0.02) = 0.080% QD1 ILE 68 - HB ILE 101 9.091% * 0.0754% (0.65 1.0 0.02 0.10) = 0.075% QG1 VAL 65 - HB ILE 101 9.091% * 0.0578% (0.50 1.0 0.02 5.60) = 0.058% HG3 LYS+ 44 - HB ILE 101 9.091% * 0.0375% (0.32 1.0 0.02 0.02) = 0.037% HG3 LYS+ 66 - HB ILE 101 9.091% * 0.0375% (0.32 1.0 0.02 9.41) = 0.037% QD1 ILE 19 - HB ILE 101 9.091% * 0.0169% (0.15 1.0 0.02 0.02) = 0.017% Peak 1898 (4.98, 1.96, 35.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1899 (1.99, 1.96, 35.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1909 (2.23, 2.25, 35.02 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1911 (8.83, 1.85, 34.49 ppm): 9 chemical-shift based assignments, quality = 0.745, support = 4.98, residual support = 43.4: * O HN LYS+ 60 - HB3 LYS+ 60 11.111% * 95.9529% (0.75 10.0 5.15 45.24) = 95.953% kept HN LYS+ 32 - HB3 LYS+ 60 11.111% * 3.6828% (0.58 1.0 1.00 0.16) = 3.683% kept HN LYS+ 60 - HB2 LYS+ 66 11.111% * 0.1090% (0.86 1.0 0.02 0.02) = 0.109% HN LYS+ 32 - HB2 LYS+ 66 11.111% * 0.0835% (0.66 1.0 0.02 0.02) = 0.083% HN ASN 57 - HB2 LYS+ 66 11.111% * 0.0688% (0.54 1.0 0.02 0.02) = 0.069% HN ASN 57 - HB3 LYS+ 60 11.111% * 0.0606% (0.48 1.0 0.02 0.02) = 0.061% HN LYS+ 60 - HB3 LYS+ 72 11.111% * 0.0177% (0.14 1.0 0.02 0.02) = 0.018% HN LYS+ 32 - HB3 LYS+ 72 11.111% * 0.0136% (0.11 1.0 0.02 0.02) = 0.014% HN ASN 57 - HB3 LYS+ 72 11.111% * 0.0112% (0.09 1.0 0.02 0.02) = 0.011% Peak 1912 (4.43, 1.66, 34.55 ppm): 18 chemical-shift based assignments, quality = 0.608, support = 3.83, residual support = 30.2: * O HA LYS+ 66 - HB3 LYS+ 66 5.556% * 98.8044% (0.62 10.0 3.87 30.57) = 98.804% kept HA LYS+ 111 - HB3 LYS+ 66 5.556% * 0.1438% (0.90 1.0 0.02 0.02) = 0.144% HB THR 24 - HB3 LYS+ 66 5.556% * 0.1435% (0.89 1.0 0.02 0.02) = 0.144% HA LYS+ 111 - HB3 MET 97 5.556% * 0.1366% (0.85 1.0 0.02 0.02) = 0.137% HB THR 24 - HB3 MET 97 5.556% * 0.1363% (0.85 1.0 0.02 0.02) = 0.136% HA LYS+ 66 - HB3 MET 97 5.556% * 0.0938% (0.58 1.0 0.02 0.02) = 0.094% HA MET 118 - HB3 LYS+ 66 5.556% * 0.0645% (0.40 1.0 0.02 0.02) = 0.064% HA HIS+ 14 - HB3 LYS+ 66 5.556% * 0.0645% (0.40 1.0 0.02 0.02) = 0.064% HA MET 118 - HB3 MET 97 5.556% * 0.0613% (0.38 1.0 0.02 0.02) = 0.061% HA HIS+ 14 - HB3 MET 97 5.556% * 0.0613% (0.38 1.0 0.02 0.02) = 0.061% HA PRO 86 - HB3 LYS+ 66 5.556% * 0.0444% (0.28 1.0 0.02 0.02) = 0.044% HA PRO 86 - HB3 MET 97 5.556% * 0.0422% (0.26 1.0 0.02 0.02) = 0.042% HA GLU- 50 - HB3 LYS+ 66 5.556% * 0.0400% (0.25 1.0 0.02 0.02) = 0.040% HA GLU- 50 - HB3 MET 97 5.556% * 0.0380% (0.24 1.0 0.02 0.02) = 0.038% HA PRO 116 - HB3 LYS+ 66 5.556% * 0.0359% (0.22 1.0 0.02 0.02) = 0.036% HA PRO 116 - HB3 MET 97 5.556% * 0.0341% (0.21 1.0 0.02 0.02) = 0.034% HA PRO 112 - HB3 LYS+ 66 5.556% * 0.0285% (0.18 1.0 0.02 0.02) = 0.028% HA PRO 112 - HB3 MET 97 5.556% * 0.0270% (0.17 1.0 0.02 0.02) = 0.027% Peak 1913 (4.37, 1.85, 34.50 ppm): 18 chemical-shift based assignments, quality = 0.784, support = 3.74, residual support = 39.2: * O T HA LYS+ 60 - HB3 LYS+ 60 5.556% * 81.6041% (0.80 10.0 10.00 3.97 45.24) = 81.604% kept HB THR 61 - HB3 LYS+ 60 5.556% * 14.9353% (0.87 1.0 1.00 3.39 15.13) = 14.935% kept T HA TRP 51 - HB2 LYS+ 66 5.556% * 0.9239% (0.91 1.0 10.00 0.02 0.02) = 0.924% T HA LYS+ 60 - HB2 LYS+ 66 5.556% * 0.9016% (0.89 1.0 10.00 0.02 0.02) = 0.902% T HA TRP 51 - HB3 LYS+ 60 5.556% * 0.8362% (0.82 1.0 10.00 0.02 0.02) = 0.836% HB THR 61 - HB2 LYS+ 66 5.556% * 0.0975% (0.96 1.0 1.00 0.02 0.02) = 0.097% HA2 GLY 26 - HB2 LYS+ 66 5.556% * 0.0943% (0.93 1.0 1.00 0.02 0.02) = 0.094% HA2 GLY 26 - HB3 LYS+ 60 5.556% * 0.0853% (0.84 1.0 1.00 0.02 0.02) = 0.085% HA ALA 37 - HB2 LYS+ 66 5.556% * 0.0816% (0.80 1.0 1.00 0.02 0.02) = 0.082% HA SER 27 - HB2 LYS+ 66 5.556% * 0.0782% (0.77 1.0 1.00 0.02 0.02) = 0.078% HA ALA 37 - HB3 LYS+ 60 5.556% * 0.0738% (0.73 1.0 1.00 0.02 0.02) = 0.074% HA SER 27 - HB3 LYS+ 60 5.556% * 0.0708% (0.70 1.0 1.00 0.02 0.02) = 0.071% HA ALA 91 - HB2 LYS+ 66 5.556% * 0.0553% (0.54 1.0 1.00 0.02 0.02) = 0.055% HA ALA 91 - HB3 LYS+ 60 5.556% * 0.0500% (0.49 1.0 1.00 0.02 0.02) = 0.050% HA SER 88 - HB2 LYS+ 66 5.556% * 0.0438% (0.43 1.0 1.00 0.02 0.02) = 0.044% HA SER 88 - HB3 LYS+ 60 5.556% * 0.0396% (0.39 1.0 1.00 0.02 0.02) = 0.040% HA ASN 57 - HB2 LYS+ 66 5.556% * 0.0151% (0.15 1.0 1.00 0.02 0.02) = 0.015% HA ASN 57 - HB3 LYS+ 60 5.556% * 0.0136% (0.13 1.0 1.00 0.02 0.02) = 0.014% Peak 1914 (2.24, 1.67, 34.43 ppm): 32 chemical-shift based assignments, quality = 0.365, support = 1.96, residual support = 10.5: * O T HG3 MET 97 - HB3 MET 97 3.125% * 82.6159% (0.32 10.0 10.00 2.36 12.63) = 82.616% kept T HG3 GLN 16 - HB3 MET 97 3.125% * 2.4006% (0.94 1.0 10.00 0.02 0.96) = 2.401% kept T HG3 GLN 16 - HB3 LYS+ 66 3.125% * 2.3378% (0.92 1.0 10.00 0.02 0.02) = 2.338% kept HG3 GLU- 18 - HB3 MET 97 3.125% * 1.9347% (0.50 1.0 1.00 0.30 0.02) = 1.935% kept T HG3 GLN 102 - HB3 MET 97 3.125% * 1.5668% (0.62 1.0 10.00 0.02 0.02) = 1.567% kept T HG3 GLN 102 - HB3 LYS+ 66 3.125% * 1.5258% (0.60 1.0 10.00 0.02 0.02) = 1.526% kept HB3 GLU- 45 - HB3 LYS+ 66 3.125% * 1.2842% (0.93 1.0 1.00 0.11 0.02) = 1.284% kept HG2 PRO 112 - HB3 LYS+ 66 3.125% * 1.2661% (0.92 1.0 1.00 0.11 0.02) = 1.266% kept T HG3 MET 97 - HB3 LYS+ 66 3.125% * 0.8046% (0.32 1.0 10.00 0.02 0.02) = 0.805% T HG3 MET 126 - HB3 MET 97 3.125% * 0.6039% (0.24 1.0 10.00 0.02 0.02) = 0.604% T HG3 MET 126 - HB3 LYS+ 66 3.125% * 0.5881% (0.23 1.0 10.00 0.02 0.02) = 0.588% HB3 GLU- 45 - HB3 MET 97 3.125% * 0.2422% (0.95 1.0 1.00 0.02 0.02) = 0.242% HG2 PRO 112 - HB3 MET 97 3.125% * 0.2413% (0.95 1.0 1.00 0.02 0.02) = 0.241% HG3 GLU- 10 - HB3 MET 97 3.125% * 0.2374% (0.93 1.0 1.00 0.02 0.02) = 0.237% HG3 GLU- 10 - HB3 LYS+ 66 3.125% * 0.2312% (0.91 1.0 1.00 0.02 0.02) = 0.231% HB3 ASN 15 - HB3 MET 97 3.125% * 0.2172% (0.85 1.0 1.00 0.02 0.02) = 0.217% HB3 ASN 15 - HB3 LYS+ 66 3.125% * 0.2115% (0.83 1.0 1.00 0.02 0.02) = 0.212% HG3 GLU- 109 - HB3 MET 97 3.125% * 0.1851% (0.73 1.0 1.00 0.02 0.02) = 0.185% HB2 PRO 52 - HB3 MET 97 3.125% * 0.1851% (0.73 1.0 1.00 0.02 0.02) = 0.185% HG3 GLU- 109 - HB3 LYS+ 66 3.125% * 0.1803% (0.71 1.0 1.00 0.02 0.02) = 0.180% HB2 PRO 52 - HB3 LYS+ 66 3.125% * 0.1803% (0.71 1.0 1.00 0.02 0.12) = 0.180% HG3 GLU- 18 - HB3 LYS+ 66 3.125% * 0.1241% (0.49 1.0 1.00 0.02 0.02) = 0.124% HG3 GLU- 107 - HB3 MET 97 3.125% * 0.1086% (0.43 1.0 1.00 0.02 0.02) = 0.109% HB2 GLU- 50 - HB3 MET 97 3.125% * 0.1086% (0.43 1.0 1.00 0.02 0.02) = 0.109% HG3 GLU- 107 - HB3 LYS+ 66 3.125% * 0.1057% (0.42 1.0 1.00 0.02 0.02) = 0.106% HB2 GLU- 50 - HB3 LYS+ 66 3.125% * 0.1057% (0.42 1.0 1.00 0.02 0.02) = 0.106% HG3 GLU- 54 - HB3 MET 97 3.125% * 0.0909% (0.36 1.0 1.00 0.02 0.02) = 0.091% HG3 GLU- 54 - HB3 LYS+ 66 3.125% * 0.0885% (0.35 1.0 1.00 0.02 0.02) = 0.089% HA1 GLY 58 - HB3 MET 97 3.125% * 0.0826% (0.32 1.0 1.00 0.02 0.02) = 0.083% HA1 GLY 58 - HB3 LYS+ 66 3.125% * 0.0805% (0.32 1.0 1.00 0.02 0.02) = 0.080% HB VAL 80 - HB3 MET 97 3.125% * 0.0328% (0.13 1.0 1.00 0.02 0.02) = 0.033% HB VAL 80 - HB3 LYS+ 66 3.125% * 0.0319% (0.13 1.0 1.00 0.02 0.02) = 0.032% Peak 1915 (2.14, 2.36, 34.32 ppm): 11 chemical-shift based assignments, quality = 0.277, support = 3.62, residual support = 31.5: O HB3 LYS+ 78 - HB2 LYS+ 78 9.091% * 75.1335% (0.26 10.0 1.00 4.66 41.73) = 75.133% kept T HB2 ASP- 28 - HB2 LYS+ 78 9.091% * 24.0577% (0.34 1.0 10.00 0.49 0.47) = 24.058% kept HG2 PRO 112 - HB2 LYS+ 78 9.091% * 0.4120% (0.31 1.0 1.00 0.09 0.02) = 0.412% HG2 GLU- 45 - HB2 LYS+ 78 9.091% * 0.0821% (0.28 1.0 1.00 0.02 0.02) = 0.082% HB3 GLU- 75 - HB2 LYS+ 78 9.091% * 0.0753% (0.26 1.0 1.00 0.02 0.02) = 0.075% HB VAL 105 - HB2 LYS+ 78 9.091% * 0.0636% (0.22 1.0 1.00 0.02 0.02) = 0.064% HB VAL 47 - HB2 LYS+ 78 9.091% * 0.0596% (0.21 1.0 1.00 0.02 0.02) = 0.060% HB2 GLU- 56 - HB2 LYS+ 78 9.091% * 0.0404% (0.14 1.0 1.00 0.02 0.02) = 0.040% HB VAL 87 - HB2 LYS+ 78 9.091% * 0.0369% (0.13 1.0 1.00 0.02 0.02) = 0.037% HG2 PRO 104 - HB2 LYS+ 78 9.091% * 0.0195% (0.07 1.0 1.00 0.02 0.02) = 0.019% HB3 LEU 43 - HB2 LYS+ 78 9.091% * 0.0195% (0.07 1.0 1.00 0.02 0.02) = 0.019% Peak 1916 (1.68, 1.85, 34.48 ppm): 27 chemical-shift based assignments, quality = 0.292, support = 3.08, residual support = 27.1: * O T HB3 LYS+ 66 - HB2 LYS+ 66 3.704% * 88.5745% (0.30 10.0 10.00 3.46 30.57) = 88.575% kept HB3 MET 126 - HB3 LYS+ 60 3.704% * 3.3460% (0.47 1.0 1.00 0.49 0.02) = 3.346% kept T HB3 MET 97 - HB2 LYS+ 66 3.704% * 1.2639% (0.43 1.0 10.00 0.02 0.02) = 1.264% kept T HB3 MET 97 - HB3 LYS+ 60 3.704% * 1.1766% (0.40 1.0 10.00 0.02 0.02) = 1.177% kept T HB ILE 100 - HB2 LYS+ 66 3.704% * 0.9746% (0.33 1.0 10.00 0.02 4.12) = 0.975% T HB ILE 100 - HB3 LYS+ 60 3.704% * 0.9073% (0.31 1.0 10.00 0.02 0.02) = 0.907% T HB3 LYS+ 66 - HB3 LYS+ 60 3.704% * 0.8246% (0.28 1.0 10.00 0.02 0.02) = 0.825% HG13 ILE 19 - HB2 LYS+ 66 3.704% * 0.2591% (0.88 1.0 1.00 0.02 0.02) = 0.259% HD3 LYS+ 55 - HB2 LYS+ 66 3.704% * 0.2574% (0.87 1.0 1.00 0.02 0.02) = 0.257% T HB3 MET 97 - HB3 LYS+ 72 3.704% * 0.2516% (0.09 1.0 10.00 0.02 0.02) = 0.252% HG2 PRO 52 - HB2 LYS+ 66 3.704% * 0.2456% (0.83 1.0 1.00 0.02 0.12) = 0.246% HG13 ILE 19 - HB3 LYS+ 60 3.704% * 0.2412% (0.82 1.0 1.00 0.02 0.42) = 0.241% HD3 LYS+ 55 - HB3 LYS+ 60 3.704% * 0.2396% (0.81 1.0 1.00 0.02 0.02) = 0.240% HG2 PRO 52 - HB3 LYS+ 60 3.704% * 0.2287% (0.78 1.0 1.00 0.02 0.02) = 0.229% T HB ILE 100 - HB3 LYS+ 72 3.704% * 0.1940% (0.07 1.0 10.00 0.02 0.02) = 0.194% HB3 LYS+ 81 - HB2 LYS+ 66 3.704% * 0.1886% (0.64 1.0 1.00 0.02 0.02) = 0.189% T HB3 LYS+ 66 - HB3 LYS+ 72 3.704% * 0.1763% (0.06 1.0 10.00 0.02 0.02) = 0.176% HB3 LYS+ 81 - HB3 LYS+ 60 3.704% * 0.1755% (0.60 1.0 1.00 0.02 0.13) = 0.176% HB3 MET 126 - HB2 LYS+ 66 3.704% * 0.1470% (0.50 1.0 1.00 0.02 0.02) = 0.147% HG13 ILE 19 - HB3 LYS+ 72 3.704% * 0.0516% (0.18 1.0 1.00 0.02 0.02) = 0.052% HG3 ARG+ 84 - HB2 LYS+ 66 3.704% * 0.0514% (0.17 1.0 1.00 0.02 0.02) = 0.051% HD3 LYS+ 55 - HB3 LYS+ 72 3.704% * 0.0512% (0.17 1.0 1.00 0.02 0.02) = 0.051% HG2 PRO 52 - HB3 LYS+ 72 3.704% * 0.0489% (0.17 1.0 1.00 0.02 0.02) = 0.049% HG3 ARG+ 84 - HB3 LYS+ 60 3.704% * 0.0478% (0.16 1.0 1.00 0.02 0.02) = 0.048% HB3 LYS+ 81 - HB3 LYS+ 72 3.704% * 0.0375% (0.13 1.0 1.00 0.02 0.23) = 0.038% HB3 MET 126 - HB3 LYS+ 72 3.704% * 0.0293% (0.10 1.0 1.00 0.02 0.02) = 0.029% HG3 ARG+ 84 - HB3 LYS+ 72 3.704% * 0.0102% (0.03 1.0 1.00 0.02 0.02) = 0.010% Peak 1917 (1.67, 1.66, 34.47 ppm): 2 diagonal assignments: * HB3 MET 97 - HB3 MET 97 (0.81) kept HB3 LYS+ 66 - HB3 LYS+ 66 (0.79) kept Peak 1919 (1.11, 1.85, 34.53 ppm): 10 chemical-shift based assignments, quality = 0.708, support = 1.88, residual support = 11.4: * QG2 THR 61 - HB3 LYS+ 60 10.000% * 74.8133% (0.78 2.32 15.13) = 74.813% kept QG2 THR 79 - HB3 LYS+ 60 10.000% * 13.5505% (0.81 0.40 0.02) = 13.550% kept QG2 THR 95 - HB2 LYS+ 66 10.000% * 6.8052% (0.13 1.23 0.90) = 6.805% kept QG2 THR 95 - HB3 LYS+ 60 10.000% * 1.9093% (0.14 0.32 0.02) = 1.909% kept HG3 LYS+ 32 - HB2 LYS+ 66 10.000% * 0.8476% (0.27 0.08 0.02) = 0.848% QG2 THR 79 - HB2 LYS+ 66 10.000% * 0.6232% (0.76 0.02 0.02) = 0.623% QG2 THR 61 - HB2 LYS+ 66 10.000% * 0.6001% (0.73 0.02 0.02) = 0.600% HD3 LYS+ 111 - HB3 LYS+ 60 10.000% * 0.3173% (0.39 0.02 0.02) = 0.317% HD3 LYS+ 111 - HB2 LYS+ 66 10.000% * 0.2954% (0.36 0.02 0.02) = 0.295% HG3 LYS+ 32 - HB3 LYS+ 60 10.000% * 0.2382% (0.29 0.02 0.16) = 0.238% Peak 1922 (8.59, 1.88, 34.05 ppm): 8 chemical-shift based assignments, quality = 0.34, support = 2.85, residual support = 8.64: * HN VAL 73 - HB3 LYS+ 72 12.500% * 50.7836% (0.25 4.72 14.86) = 50.784% kept HN LYS+ 20 - HB VAL 94 12.500% * 27.1589% (0.45 1.37 4.01) = 27.159% kept HN VAL 80 - HB VAL 94 12.500% * 8.4306% (0.47 0.41 0.02) = 8.431% kept HN VAL 73 - HB VAL 94 12.500% * 7.1623% (0.39 0.42 0.02) = 7.162% kept HN THR 39 - HB VAL 94 12.500% * 3.7797% (0.48 0.18 0.02) = 3.780% kept HN VAL 80 - HB3 LYS+ 72 12.500% * 1.2317% (0.29 0.10 0.02) = 1.232% kept HN LYS+ 20 - HB3 LYS+ 72 12.500% * 1.1877% (0.28 0.10 0.02) = 1.188% kept HN THR 39 - HB3 LYS+ 72 12.500% * 0.2655% (0.30 0.02 0.02) = 0.266% Peak 1923 (8.32, 2.18, 33.96 ppm): 36 chemical-shift based assignments, quality = 0.601, support = 2.41, residual support = 20.7: * O HN VAL 99 - HB VAL 99 2.778% * 96.4154% (0.61 10.0 2.49 21.52) = 96.415% kept HN VAL 99 - HG2 GLN 102 2.778% * 2.0090% (0.75 1.0 0.34 0.02) = 2.009% kept HN ASN 76 - HG2 GLN 102 2.778% * 0.1487% (0.94 1.0 0.02 0.02) = 0.149% HN GLY 114 - HG2 GLN 102 2.778% * 0.1477% (0.93 1.0 0.02 0.02) = 0.148% HN ASN 76 - HB VAL 99 2.778% * 0.1201% (0.76 1.0 0.02 0.02) = 0.120% HN GLY 114 - HB VAL 99 2.778% * 0.1193% (0.75 1.0 0.02 0.02) = 0.119% HN ASN 76 - HG2 MET 126 2.778% * 0.1094% (0.69 1.0 0.02 0.02) = 0.109% HN GLY 114 - HG2 MET 126 2.778% * 0.1086% (0.68 1.0 0.02 0.02) = 0.109% HN GLU- 50 - HG2 GLN 102 2.778% * 0.0964% (0.61 1.0 0.02 0.02) = 0.096% HN VAL 99 - HG2 MET 126 2.778% * 0.0878% (0.55 1.0 0.02 0.02) = 0.088% HN GLU- 50 - HB VAL 99 2.778% * 0.0779% (0.49 1.0 0.02 0.02) = 0.078% HN GLU- 50 - HG2 MET 126 2.778% * 0.0709% (0.45 1.0 0.02 0.02) = 0.071% HN ALA 91 - HG2 GLN 102 2.778% * 0.0414% (0.26 1.0 0.02 0.02) = 0.041% HN ASN 76 - HG3 MET 126 2.778% * 0.0370% (0.23 1.0 0.02 0.02) = 0.037% HN GLY 114 - HG3 MET 126 2.778% * 0.0368% (0.23 1.0 0.02 0.02) = 0.037% HN ALA 91 - HB VAL 99 2.778% * 0.0335% (0.21 1.0 0.02 0.02) = 0.033% HN ALA 91 - HG2 MET 126 2.778% * 0.0305% (0.19 1.0 0.02 0.02) = 0.030% HN VAL 99 - HG3 MET 126 2.778% * 0.0297% (0.19 1.0 0.02 0.02) = 0.030% HN GLU- 109 - HG2 GLN 102 2.778% * 0.0261% (0.16 1.0 0.02 0.02) = 0.026% HN GLU- 50 - HG3 MET 126 2.778% * 0.0240% (0.15 1.0 0.02 0.02) = 0.024% HN ASN 76 - HB3 LYS+ 78 2.778% * 0.0222% (0.14 1.0 0.02 0.02) = 0.022% HN ASN 76 - HG3 MET 97 2.778% * 0.0221% (0.14 1.0 0.02 0.02) = 0.022% HN GLY 114 - HB3 LYS+ 78 2.778% * 0.0221% (0.14 1.0 0.02 0.02) = 0.022% HN GLY 114 - HG3 MET 97 2.778% * 0.0220% (0.14 1.0 0.02 0.02) = 0.022% HN GLU- 109 - HB VAL 99 2.778% * 0.0211% (0.13 1.0 0.02 0.02) = 0.021% HN GLU- 109 - HG2 MET 126 2.778% * 0.0192% (0.12 1.0 0.02 0.02) = 0.019% HN VAL 99 - HB3 LYS+ 78 2.778% * 0.0178% (0.11 1.0 0.02 0.02) = 0.018% HN VAL 99 - HG3 MET 97 2.778% * 0.0178% (0.11 1.0 0.02 1.69) = 0.018% HN GLU- 50 - HB3 LYS+ 78 2.778% * 0.0144% (0.09 1.0 0.02 0.02) = 0.014% HN GLU- 50 - HG3 MET 97 2.778% * 0.0144% (0.09 1.0 0.02 0.02) = 0.014% HN ALA 91 - HG3 MET 126 2.778% * 0.0103% (0.06 1.0 0.02 0.02) = 0.010% HN GLU- 109 - HG3 MET 126 2.778% * 0.0065% (0.04 1.0 0.02 0.02) = 0.006% HN ALA 91 - HB3 LYS+ 78 2.778% * 0.0062% (0.04 1.0 0.02 0.11) = 0.006% HN ALA 91 - HG3 MET 97 2.778% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% HN GLU- 109 - HB3 LYS+ 78 2.778% * 0.0039% (0.02 1.0 0.02 0.02) = 0.004% HN GLU- 109 - HG3 MET 97 2.778% * 0.0039% (0.02 1.0 0.02 0.02) = 0.004% Peak 1924 (8.22, 1.85, 33.99 ppm): 20 chemical-shift based assignments, quality = 0.903, support = 3.67, residual support = 48.9: * O HN VAL 94 - HB VAL 94 5.000% * 91.8318% (0.93 10.0 3.93 53.27) = 91.832% kept HN VAL 105 - HB VAL 94 5.000% * 2.7688% (0.91 1.0 0.62 0.02) = 2.769% kept HN LYS+ 81 - HB3 LYS+ 72 5.000% * 2.3930% (0.44 1.0 1.10 0.23) = 2.393% kept HN GLU- 45 - HB3 LYS+ 72 5.000% * 2.1227% (0.64 1.0 0.67 0.02) = 2.123% kept HN VAL 94 - HB3 LYS+ 72 5.000% * 0.0796% (0.81 1.0 0.02 0.02) = 0.080% HN ALA 11 - HB VAL 94 5.000% * 0.0795% (0.80 1.0 0.02 0.02) = 0.079% HN VAL 105 - HB3 LYS+ 72 5.000% * 0.0781% (0.79 1.0 0.02 0.02) = 0.078% HN SER 49 - HB VAL 94 5.000% * 0.0762% (0.77 1.0 0.02 0.02) = 0.076% HN GLU- 45 - HB VAL 94 5.000% * 0.0727% (0.74 1.0 0.02 0.02) = 0.073% HN ALA 11 - HB3 LYS+ 72 5.000% * 0.0689% (0.70 1.0 0.02 0.02) = 0.069% HN SER 49 - HB3 LYS+ 72 5.000% * 0.0661% (0.67 1.0 0.02 0.02) = 0.066% HN GLY 58 - HB VAL 94 5.000% * 0.0616% (0.62 1.0 0.02 0.02) = 0.062% HN GLY 58 - HB3 LYS+ 72 5.000% * 0.0534% (0.54 1.0 0.02 0.02) = 0.053% HN LYS+ 81 - HB VAL 94 5.000% * 0.0501% (0.51 1.0 0.02 0.28) = 0.050% HN LEU 67 - HB VAL 94 5.000% * 0.0501% (0.51 1.0 0.02 0.02) = 0.050% HN LEU 67 - HB3 LYS+ 72 5.000% * 0.0434% (0.44 1.0 0.02 0.21) = 0.043% HN GLU- 12 - HB VAL 94 5.000% * 0.0391% (0.40 1.0 0.02 0.02) = 0.039% HN GLU- 12 - HB3 LYS+ 72 5.000% * 0.0339% (0.34 1.0 0.02 0.02) = 0.034% HN ALA 33 - HB VAL 94 5.000% * 0.0167% (0.17 1.0 0.02 0.02) = 0.017% HN ALA 33 - HB3 LYS+ 72 5.000% * 0.0145% (0.15 1.0 0.02 0.02) = 0.014% Peak 1925 (7.97, 1.87, 34.08 ppm): 6 chemical-shift based assignments, quality = 0.447, support = 3.17, residual support = 25.7: * O HN LYS+ 72 - HB3 LYS+ 72 16.667% * 99.6550% (0.45 10.0 3.18 25.75) = 99.655% kept HN LYS+ 72 - HB VAL 94 16.667% * 0.1214% (0.55 1.0 0.02 0.02) = 0.121% HN LEU 43 - HB VAL 94 16.667% * 0.1139% (0.51 1.0 0.02 0.02) = 0.114% HN LEU 43 - HB3 LYS+ 72 16.667% * 0.0934% (0.42 1.0 0.02 0.02) = 0.093% HN LYS+ 72 - HB2 LYS+ 66 16.667% * 0.0084% (0.04 1.0 0.02 0.02) = 0.008% HN LEU 43 - HB2 LYS+ 66 16.667% * 0.0079% (0.04 1.0 0.02 0.02) = 0.008% Peak 1926 (4.96, 2.20, 34.06 ppm): 30 chemical-shift based assignments, quality = 0.524, support = 1.97, residual support = 12.3: * O HA MET 97 - HG3 MET 97 3.333% * 76.8953% (0.57 10.0 2.06 12.63) = 76.895% kept HA HIS+ 98 - HB VAL 99 3.333% * 7.5530% (0.57 1.0 1.97 13.22) = 7.553% kept HA HIS+ 98 - HG3 MET 97 3.333% * 5.5693% (0.54 1.0 1.51 3.95) = 5.569% kept HA ILE 101 - HG3 GLN 102 3.333% * 3.5274% (0.16 1.0 3.24 25.72) = 3.527% kept HA ILE 101 - HB VAL 99 3.333% * 1.7512% (0.34 1.0 0.75 2.72) = 1.751% kept HA ILE 101 - HG2 GLN 102 3.333% * 1.6973% (0.18 1.0 1.38 25.72) = 1.697% kept HA MET 97 - HB VAL 99 3.333% * 0.9503% (0.59 1.0 0.24 1.69) = 0.950% HA ALA 33 - HB VAL 99 3.333% * 0.8152% (0.22 1.0 0.55 0.02) = 0.815% HA ALA 33 - HG3 GLN 102 3.333% * 0.2529% (0.10 1.0 0.37 1.76) = 0.253% HA HIS+ 98 - HG2 GLN 102 3.333% * 0.1542% (0.30 1.0 0.08 0.02) = 0.154% HA MET 97 - HG2 MET 126 3.333% * 0.0923% (0.68 1.0 0.02 0.02) = 0.092% HA HIS+ 98 - HG2 MET 126 3.333% * 0.0885% (0.65 1.0 0.02 0.02) = 0.089% HA MET 97 - HG3 MET 126 3.333% * 0.0731% (0.54 1.0 0.02 0.02) = 0.073% HA HIS+ 98 - HG3 MET 126 3.333% * 0.0701% (0.52 1.0 0.02 0.02) = 0.070% HA ILE 101 - HG2 MET 126 3.333% * 0.0538% (0.40 1.0 0.02 0.02) = 0.054% HA ILE 101 - HG3 MET 97 3.333% * 0.0448% (0.33 1.0 0.02 0.02) = 0.045% HA ILE 101 - HG3 MET 126 3.333% * 0.0426% (0.31 1.0 0.02 0.02) = 0.043% HA MET 97 - HG2 GLN 102 3.333% * 0.0421% (0.31 1.0 0.02 0.02) = 0.042% HA MET 97 - HG3 GLN 102 3.333% * 0.0373% (0.28 1.0 0.02 0.02) = 0.037% HA HIS+ 98 - HG3 GLN 102 3.333% * 0.0358% (0.26 1.0 0.02 0.02) = 0.036% HA SER 69 - HG2 MET 126 3.333% * 0.0341% (0.25 1.0 0.02 0.02) = 0.034% HA ALA 33 - HG2 MET 126 3.333% * 0.0341% (0.25 1.0 0.02 0.02) = 0.034% HA SER 69 - HB VAL 99 3.333% * 0.0296% (0.22 1.0 0.02 0.02) = 0.030% HA SER 69 - HG3 MET 97 3.333% * 0.0284% (0.21 1.0 0.02 0.02) = 0.028% HA ALA 33 - HG3 MET 97 3.333% * 0.0284% (0.21 1.0 0.02 0.02) = 0.028% HA SER 69 - HG3 MET 126 3.333% * 0.0270% (0.20 1.0 0.02 0.02) = 0.027% HA ALA 33 - HG3 MET 126 3.333% * 0.0270% (0.20 1.0 0.02 0.02) = 0.027% HA SER 69 - HG2 GLN 102 3.333% * 0.0156% (0.11 1.0 0.02 0.02) = 0.016% HA ALA 33 - HG2 GLN 102 3.333% * 0.0156% (0.11 1.0 0.02 1.76) = 0.016% HA SER 69 - HG3 GLN 102 3.333% * 0.0138% (0.10 1.0 0.02 0.02) = 0.014% Peak 1927 (4.79, 2.18, 34.01 ppm): 24 chemical-shift based assignments, quality = 0.612, support = 1.36, residual support = 8.26: * HA LEU 23 - HB VAL 99 4.167% * 58.2377% (0.69 1.97 13.83) = 58.238% kept HA LEU 23 - HG2 GLN 102 4.167% * 20.9271% (0.62 0.78 0.96) = 20.927% kept HA LEU 23 - HG2 MET 126 4.167% * 6.4538% (0.56 0.27 0.02) = 6.454% kept HA ASN 15 - HG2 GLN 102 4.167% * 6.0334% (0.59 0.24 0.02) = 6.033% kept HA GLU- 18 - HB VAL 99 4.167% * 1.7950% (0.31 0.14 0.02) = 1.795% kept HA LEU 23 - HG3 MET 97 4.167% * 1.2966% (0.16 0.19 0.02) = 1.297% kept HA GLU- 18 - HG3 MET 97 4.167% * 1.2954% (0.07 0.42 0.02) = 1.295% kept HA GLU- 18 - HG2 MET 126 4.167% * 1.0834% (0.25 0.10 0.02) = 1.083% kept HA ASN 15 - HB VAL 99 4.167% * 0.5612% (0.65 0.02 0.02) = 0.561% HA ASN 15 - HG2 MET 126 4.167% * 0.4559% (0.53 0.02 0.02) = 0.456% HA GLU- 18 - HG2 GLN 102 4.167% * 0.2390% (0.28 0.02 0.77) = 0.239% HB THR 39 - HB VAL 99 4.167% * 0.2385% (0.28 0.02 0.02) = 0.239% HB THR 39 - HG2 GLN 102 4.167% * 0.2163% (0.25 0.02 0.02) = 0.216% HB THR 39 - HG2 MET 126 4.167% * 0.1938% (0.22 0.02 0.02) = 0.194% HA LEU 23 - HG3 MET 126 4.167% * 0.1844% (0.21 0.02 0.02) = 0.184% HA ASN 15 - HG3 MET 126 4.167% * 0.1752% (0.20 0.02 0.02) = 0.175% HA ASN 15 - HG3 MET 97 4.167% * 0.1325% (0.15 0.02 0.02) = 0.132% HA LEU 23 - HB3 LYS+ 78 4.167% * 0.0956% (0.11 0.02 0.02) = 0.096% HA ASN 15 - HB3 LYS+ 78 4.167% * 0.0909% (0.11 0.02 0.02) = 0.091% HA GLU- 18 - HG3 MET 126 4.167% * 0.0823% (0.10 0.02 0.02) = 0.082% HB THR 39 - HG3 MET 126 4.167% * 0.0745% (0.09 0.02 0.02) = 0.074% HB THR 39 - HG3 MET 97 4.167% * 0.0563% (0.07 0.02 0.02) = 0.056% HA GLU- 18 - HB3 LYS+ 78 4.167% * 0.0427% (0.05 0.02 0.02) = 0.043% HB THR 39 - HB3 LYS+ 78 4.167% * 0.0386% (0.04 0.02 0.13) = 0.039% Peak 1928 (4.58, 1.87, 34.09 ppm): 9 chemical-shift based assignments, quality = 0.67, support = 2.04, residual support = 25.1: * O HA LYS+ 72 - HB3 LYS+ 72 11.111% * 97.3804% (0.67 10.0 2.08 25.75) = 97.380% kept HA LYS+ 78 - HB VAL 94 11.111% * 2.2985% (0.70 1.0 0.46 0.02) = 2.299% kept HA LYS+ 72 - HB VAL 94 11.111% * 0.1166% (0.80 1.0 0.02 0.02) = 0.117% HA LYS+ 78 - HB3 LYS+ 72 11.111% * 0.0843% (0.58 1.0 0.02 0.02) = 0.084% HA ASP- 25 - HB VAL 94 11.111% * 0.0542% (0.37 1.0 0.02 0.02) = 0.054% HA ASP- 25 - HB3 LYS+ 72 11.111% * 0.0452% (0.31 1.0 0.02 0.02) = 0.045% HA LYS+ 72 - HB2 LYS+ 66 11.111% * 0.0089% (0.06 1.0 0.02 0.02) = 0.009% HA LYS+ 78 - HB2 LYS+ 66 11.111% * 0.0077% (0.05 1.0 0.02 0.02) = 0.008% HA ASP- 25 - HB2 LYS+ 66 11.111% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% Peak 1929 (1.86, 1.85, 34.10 ppm): 3 diagonal assignments: HB3 LYS+ 72 - HB3 LYS+ 72 (0.94) kept * HB VAL 94 - HB VAL 94 (0.89) kept HB2 LYS+ 66 - HB2 LYS+ 66 (0.09) kept Peak 1933 (0.97, 2.18, 33.97 ppm): 24 chemical-shift based assignments, quality = 0.482, support = 1.82, residual support = 20.9: * O T QG2 VAL 99 - HB VAL 99 4.167% * 97.0352% (0.49 10.0 10.00 1.87 21.52) = 97.035% kept T QG2 VAL 99 - HG2 GLN 102 4.167% * 1.0653% (0.54 1.0 10.00 0.02 0.02) = 1.065% kept T QG2 VAL 99 - HG2 MET 126 4.167% * 0.9216% (0.47 1.0 10.00 0.02 0.02) = 0.922% T QG2 VAL 99 - HG3 MET 126 4.167% * 0.3542% (0.18 1.0 10.00 0.02 0.02) = 0.354% T QG2 VAL 99 - HG3 MET 97 4.167% * 0.2290% (0.12 1.0 10.00 0.02 1.69) = 0.229% QG2 ILE 29 - HG2 GLN 102 4.167% * 0.0438% (0.22 1.0 1.00 0.02 0.02) = 0.044% QG2 ILE 29 - HB VAL 99 4.167% * 0.0399% (0.20 1.0 1.00 0.02 0.02) = 0.040% QG2 VAL 73 - HG2 GLN 102 4.167% * 0.0391% (0.20 1.0 1.00 0.02 0.02) = 0.039% QG2 ILE 29 - HG2 MET 126 4.167% * 0.0379% (0.19 1.0 1.00 0.02 0.02) = 0.038% QG2 VAL 73 - HB VAL 99 4.167% * 0.0356% (0.18 1.0 1.00 0.02 0.02) = 0.036% QG2 VAL 73 - HG2 MET 126 4.167% * 0.0338% (0.17 1.0 1.00 0.02 0.02) = 0.034% QG2 VAL 62 - HG2 GLN 102 4.167% * 0.0271% (0.14 1.0 1.00 0.02 0.02) = 0.027% QG2 VAL 62 - HB VAL 99 4.167% * 0.0247% (0.12 1.0 1.00 0.02 1.04) = 0.025% QG2 VAL 62 - HG2 MET 126 4.167% * 0.0234% (0.12 1.0 1.00 0.02 0.02) = 0.023% QG2 ILE 29 - HG3 MET 126 4.167% * 0.0146% (0.07 1.0 1.00 0.02 0.02) = 0.015% QG2 VAL 99 - HB3 LYS+ 78 4.167% * 0.0143% (0.07 1.0 1.00 0.02 0.02) = 0.014% QG2 VAL 73 - HG3 MET 126 4.167% * 0.0130% (0.07 1.0 1.00 0.02 0.02) = 0.013% QG2 ILE 29 - HG3 MET 97 4.167% * 0.0094% (0.05 1.0 1.00 0.02 0.02) = 0.009% QG2 VAL 62 - HG3 MET 126 4.167% * 0.0090% (0.05 1.0 1.00 0.02 0.02) = 0.009% QG2 VAL 73 - HG3 MET 97 4.167% * 0.0084% (0.04 1.0 1.00 0.02 0.02) = 0.008% QG2 ILE 29 - HB3 LYS+ 78 4.167% * 0.0059% (0.03 1.0 1.00 0.02 0.02) = 0.006% QG2 VAL 62 - HG3 MET 97 4.167% * 0.0058% (0.03 1.0 1.00 0.02 0.02) = 0.006% QG2 VAL 73 - HB3 LYS+ 78 4.167% * 0.0052% (0.03 1.0 1.00 0.02 0.02) = 0.005% QG2 VAL 62 - HB3 LYS+ 78 4.167% * 0.0036% (0.02 1.0 1.00 0.02 0.02) = 0.004% Peak 1934 (0.82, 1.85, 33.98 ppm): 18 chemical-shift based assignments, quality = 0.928, support = 3.88, residual support = 49.1: * O T QG1 VAL 94 - HB VAL 94 5.556% * 91.5073% (0.96 10.0 10.00 4.17 53.27) = 91.507% kept QD2 LEU 17 - HB VAL 94 5.556% * 4.5708% (0.89 1.0 1.00 1.08 7.18) = 4.571% kept QD2 LEU 67 - HB3 LYS+ 72 5.556% * 1.6751% (0.47 1.0 1.00 0.75 0.21) = 1.675% kept T QG1 VAL 94 - HB3 LYS+ 72 5.556% * 0.7890% (0.83 1.0 10.00 0.02 0.02) = 0.789% QG1 VAL 13 - HB VAL 94 5.556% * 0.7571% (0.86 1.0 1.00 0.18 0.02) = 0.757% QD1 ILE 29 - HB VAL 94 5.556% * 0.0821% (0.86 1.0 1.00 0.02 0.02) = 0.082% QD2 LEU 90 - HB VAL 94 5.556% * 0.0764% (0.80 1.0 1.00 0.02 0.02) = 0.076% QD2 LEU 17 - HB3 LYS+ 72 5.556% * 0.0728% (0.76 1.0 1.00 0.02 0.02) = 0.073% QG1 VAL 13 - HB3 LYS+ 72 5.556% * 0.0708% (0.74 1.0 1.00 0.02 0.02) = 0.071% QD1 ILE 29 - HB3 LYS+ 72 5.556% * 0.0708% (0.74 1.0 1.00 0.02 0.02) = 0.071% QD2 LEU 90 - HB3 LYS+ 72 5.556% * 0.0659% (0.69 1.0 1.00 0.02 0.02) = 0.066% HG2 LYS+ 117 - HB VAL 94 5.556% * 0.0629% (0.66 1.0 1.00 0.02 0.02) = 0.063% HG2 LYS+ 117 - HB3 LYS+ 72 5.556% * 0.0542% (0.57 1.0 1.00 0.02 0.02) = 0.054% QD2 LEU 67 - HB VAL 94 5.556% * 0.0518% (0.54 1.0 1.00 0.02 0.02) = 0.052% QG2 VAL 13 - HB VAL 94 5.556% * 0.0376% (0.39 1.0 1.00 0.02 0.02) = 0.038% QG2 VAL 13 - HB3 LYS+ 72 5.556% * 0.0324% (0.34 1.0 1.00 0.02 0.02) = 0.032% QD1 ILE 100 - HB VAL 94 5.556% * 0.0124% (0.13 1.0 1.00 0.02 0.02) = 0.012% QD1 ILE 100 - HB3 LYS+ 72 5.556% * 0.0107% (0.11 1.0 1.00 0.02 0.02) = 0.011% Peak 1935 (0.69, 1.85, 33.99 ppm): 20 chemical-shift based assignments, quality = 0.876, support = 2.85, residual support = 37.7: * O T QG2 VAL 94 - HB VAL 94 5.000% * 70.2924% (0.93 10.0 10.00 3.69 53.27) = 70.292% kept T QG2 THR 96 - HB VAL 94 5.000% * 7.2607% (0.63 1.0 10.00 0.30 0.56) = 7.261% kept QD1 ILE 19 - HB VAL 94 5.000% * 5.3878% (0.96 1.0 1.00 1.48 0.38) = 5.388% kept QG2 ILE 68 - HB3 LYS+ 72 5.000% * 3.7956% (0.80 1.0 1.00 1.25 2.90) = 3.796% kept HG12 ILE 19 - HB VAL 94 5.000% * 3.7676% (0.90 1.0 1.00 1.10 0.38) = 3.768% kept QG2 ILE 101 - HB3 LYS+ 72 5.000% * 3.0940% (0.78 1.0 1.00 1.04 1.16) = 3.094% kept QG2 ILE 48 - HB3 LYS+ 72 5.000% * 2.0546% (0.84 1.0 1.00 0.65 0.13) = 2.055% kept QG2 ILE 48 - HB VAL 94 5.000% * 1.8020% (0.97 1.0 1.00 0.49 0.02) = 1.802% kept QG1 VAL 62 - HB3 LYS+ 72 5.000% * 1.0823% (0.38 1.0 1.00 0.75 0.41) = 1.082% kept T QG2 VAL 94 - HB3 LYS+ 72 5.000% * 0.6086% (0.80 1.0 10.00 0.02 0.02) = 0.609% T QG2 THR 96 - HB3 LYS+ 72 5.000% * 0.4162% (0.55 1.0 10.00 0.02 0.02) = 0.416% QG2 ILE 68 - HB VAL 94 5.000% * 0.0703% (0.93 1.0 1.00 0.02 0.02) = 0.070% QG2 ILE 101 - HB VAL 94 5.000% * 0.0688% (0.91 1.0 1.00 0.02 0.02) = 0.069% QD1 ILE 19 - HB3 LYS+ 72 5.000% * 0.0631% (0.83 1.0 1.00 0.02 0.02) = 0.063% QG1 VAL 65 - HB VAL 94 5.000% * 0.0621% (0.82 1.0 1.00 0.02 0.02) = 0.062% HG12 ILE 19 - HB3 LYS+ 72 5.000% * 0.0594% (0.78 1.0 1.00 0.02 0.02) = 0.059% QG1 VAL 65 - HB3 LYS+ 72 5.000% * 0.0537% (0.71 1.0 1.00 0.02 0.02) = 0.054% QG1 VAL 62 - HB VAL 94 5.000% * 0.0333% (0.44 1.0 1.00 0.02 0.02) = 0.033% HG LEU 74 - HB VAL 94 5.000% * 0.0147% (0.19 1.0 1.00 0.02 0.02) = 0.015% HG LEU 74 - HB3 LYS+ 72 5.000% * 0.0127% (0.17 1.0 1.00 0.02 0.37) = 0.013% Peak 1936 (0.58, 2.18, 34.00 ppm): 28 chemical-shift based assignments, quality = 0.809, support = 2.69, residual support = 8.77: * T QD1 LEU 23 - HB VAL 99 3.571% * 61.0192% (0.87 10.00 3.69 13.83) = 61.019% kept T QD1 LEU 23 - HG2 GLN 102 3.571% * 34.4101% (0.78 10.00 1.25 0.96) = 34.410% kept T QD1 LEU 23 - HG3 MET 126 3.571% * 3.4902% (0.35 10.00 0.28 0.02) = 3.490% kept T QD1 LEU 23 - HG2 MET 126 3.571% * 0.5676% (0.81 10.00 0.02 0.02) = 0.568% T QD1 LEU 23 - HG3 MET 97 3.571% * 0.1845% (0.26 10.00 0.02 0.02) = 0.184% QG2 VAL 122 - HB VAL 99 3.571% * 0.0610% (0.87 1.00 0.02 0.02) = 0.061% QG2 VAL 122 - HG2 MET 126 3.571% * 0.0568% (0.81 1.00 0.02 0.02) = 0.057% QG2 VAL 122 - HG2 GLN 102 3.571% * 0.0550% (0.78 1.00 0.02 0.02) = 0.055% QG2 VAL 122 - HG3 MET 126 3.571% * 0.0248% (0.35 1.00 0.02 0.02) = 0.025% QG2 VAL 122 - HG3 MET 97 3.571% * 0.0184% (0.26 1.00 0.02 0.02) = 0.018% QD1 ILE 101 - HB VAL 99 3.571% * 0.0108% (0.15 1.00 0.02 2.72) = 0.011% QG2 ILE 48 - HB VAL 99 3.571% * 0.0101% (0.14 1.00 0.02 0.20) = 0.010% QD1 ILE 101 - HG2 MET 126 3.571% * 0.0100% (0.14 1.00 0.02 0.02) = 0.010% QD1 ILE 101 - HG2 GLN 102 3.571% * 0.0097% (0.14 1.00 0.02 25.72) = 0.010% QG2 ILE 48 - HG2 MET 126 3.571% * 0.0094% (0.13 1.00 0.02 0.02) = 0.009% QD1 LEU 23 - HG3 GLN 102 3.571% * 0.0091% (0.13 1.00 0.02 0.96) = 0.009% QG2 VAL 122 - HG3 GLN 102 3.571% * 0.0091% (0.13 1.00 0.02 0.02) = 0.009% QG2 ILE 48 - HG2 GLN 102 3.571% * 0.0091% (0.13 1.00 0.02 0.02) = 0.009% QD1 LEU 23 - HB3 LYS+ 78 3.571% * 0.0074% (0.11 1.00 0.02 0.02) = 0.007% QG2 VAL 122 - HB3 LYS+ 78 3.571% * 0.0074% (0.11 1.00 0.02 0.02) = 0.007% QD1 ILE 101 - HG3 MET 126 3.571% * 0.0044% (0.06 1.00 0.02 0.02) = 0.004% QG2 ILE 48 - HG3 MET 126 3.571% * 0.0041% (0.06 1.00 0.02 0.02) = 0.004% QD1 ILE 101 - HG3 MET 97 3.571% * 0.0033% (0.05 1.00 0.02 0.02) = 0.003% QG2 ILE 48 - HG3 MET 97 3.571% * 0.0030% (0.04 1.00 0.02 0.02) = 0.003% QD1 ILE 101 - HG3 GLN 102 3.571% * 0.0016% (0.02 1.00 0.02 25.72) = 0.002% QG2 ILE 48 - HG3 GLN 102 3.571% * 0.0015% (0.02 1.00 0.02 0.02) = 0.001% QD1 ILE 101 - HB3 LYS+ 78 3.571% * 0.0013% (0.02 1.00 0.02 0.02) = 0.001% QG2 ILE 48 - HB3 LYS+ 78 3.571% * 0.0012% (0.02 1.00 0.02 0.02) = 0.001% Peak 1937 (8.93, 2.23, 33.85 ppm): 30 chemical-shift based assignments, quality = 0.268, support = 2.67, residual support = 13.2: HN LEU 17 - HG3 GLN 16 3.333% * 26.0291% (0.23 3.96 18.76) = 26.029% kept * HN GLN 102 - HG3 GLN 102 3.333% * 23.9643% (0.21 3.83 27.58) = 23.964% kept HN THR 96 - HG3 MET 97 3.333% * 19.6148% (0.31 2.17 4.71) = 19.615% kept HN ARG+ 22 - HG3 GLN 102 3.333% * 11.3214% (0.70 0.55 0.11) = 11.321% kept HN MET 97 - HG3 MET 97 3.333% * 5.7488% (0.07 2.91 12.63) = 5.749% kept HN MET 97 - HG3 GLN 16 3.333% * 4.7501% (0.13 1.27 0.96) = 4.750% kept HN ARG+ 22 - HG3 MET 97 3.333% * 2.7275% (0.28 0.33 0.93) = 2.727% kept HN MET 97 - HG3 GLN 102 3.333% * 0.9540% (0.17 0.19 0.02) = 0.954% HN ARG+ 22 - HG2 MET 126 3.333% * 0.5559% (0.21 0.09 0.02) = 0.556% HN PHE 21 - HG3 GLN 102 3.333% * 0.5045% (0.86 0.02 0.02) = 0.505% HN THR 96 - HG3 GLN 102 3.333% * 0.4505% (0.77 0.02 0.02) = 0.450% HN PHE 21 - HG3 MET 126 3.333% * 0.3845% (0.66 0.02 0.41) = 0.384% HN PHE 21 - HG3 GLN 16 3.333% * 0.3824% (0.66 0.02 0.02) = 0.382% HN THR 96 - HG3 MET 126 3.333% * 0.3433% (0.59 0.02 0.02) = 0.343% HN THR 96 - HG3 GLN 16 3.333% * 0.3414% (0.59 0.02 0.02) = 0.341% HN ARG+ 22 - HG3 MET 126 3.333% * 0.3113% (0.53 0.02 0.02) = 0.311% HN ARG+ 22 - HG3 GLN 16 3.333% * 0.3096% (0.53 0.02 0.02) = 0.310% HN PHE 21 - HG3 MET 97 3.333% * 0.2022% (0.35 0.02 1.80) = 0.202% HN LEU 17 - HG3 GLN 102 3.333% * 0.1736% (0.30 0.02 0.02) = 0.174% HN PHE 21 - HG2 MET 126 3.333% * 0.1542% (0.26 0.02 0.41) = 0.154% HN THR 96 - HG2 MET 126 3.333% * 0.1377% (0.24 0.02 0.02) = 0.138% HN LEU 17 - HG3 MET 126 3.333% * 0.1323% (0.23 0.02 0.02) = 0.132% HN GLN 102 - HG3 MET 126 3.333% * 0.0954% (0.16 0.02 0.02) = 0.095% HN GLN 102 - HG3 GLN 16 3.333% * 0.0949% (0.16 0.02 1.68) = 0.095% HN MET 97 - HG3 MET 126 3.333% * 0.0751% (0.13 0.02 0.02) = 0.075% HN LEU 17 - HG3 MET 97 3.333% * 0.0696% (0.12 0.02 0.94) = 0.070% HN LEU 17 - HG2 MET 126 3.333% * 0.0531% (0.09 0.02 0.02) = 0.053% HN GLN 102 - HG3 MET 97 3.333% * 0.0502% (0.09 0.02 0.02) = 0.050% HN GLN 102 - HG2 MET 126 3.333% * 0.0383% (0.07 0.02 0.02) = 0.038% HN MET 97 - HG2 MET 126 3.333% * 0.0301% (0.05 0.02 0.02) = 0.030% Peak 1938 (7.59, 2.01, 33.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN VAL 65 - HB VAL 65 Peak unassigned. Peak 1939 (4.71, 2.24, 33.89 ppm): 28 chemical-shift based assignments, quality = 0.762, support = 4.35, residual support = 62.7: * O HA GLN 16 - HG3 GLN 16 3.571% * 98.4558% (0.77 10.0 4.42 63.73) = 98.456% kept HA THR 61 - HG3 GLN 16 3.571% * 0.1057% (0.83 1.0 0.02 0.02) = 0.106% HA VAL 99 - HG3 GLN 16 3.571% * 0.1057% (0.83 1.0 0.02 0.02) = 0.106% HA THR 61 - HG3 GLN 102 3.571% * 0.0986% (0.78 1.0 0.02 0.64) = 0.099% HA VAL 99 - HG3 GLN 102 3.571% * 0.0986% (0.78 1.0 0.02 0.02) = 0.099% HA THR 39 - HG3 GLN 16 3.571% * 0.0985% (0.77 1.0 0.02 0.02) = 0.098% HA2 GLY 30 - HG3 GLN 16 3.571% * 0.0925% (0.73 1.0 0.02 0.02) = 0.093% HA THR 39 - HG3 GLN 102 3.571% * 0.0918% (0.72 1.0 0.02 0.02) = 0.092% HA GLN 16 - HG3 GLN 102 3.571% * 0.0918% (0.72 1.0 0.02 1.68) = 0.092% HA2 GLY 30 - HG3 GLN 102 3.571% * 0.0863% (0.68 1.0 0.02 0.02) = 0.086% HA LYS+ 20 - HG3 GLN 16 3.571% * 0.0604% (0.47 1.0 0.02 0.02) = 0.060% HA LYS+ 20 - HG3 GLN 102 3.571% * 0.0563% (0.44 1.0 0.02 0.02) = 0.056% HA THR 61 - HG3 MET 126 3.571% * 0.0563% (0.44 1.0 0.02 0.02) = 0.056% HA VAL 99 - HG3 MET 126 3.571% * 0.0563% (0.44 1.0 0.02 0.02) = 0.056% HA THR 39 - HG3 MET 126 3.571% * 0.0524% (0.41 1.0 0.02 0.02) = 0.052% HA GLN 16 - HG3 MET 126 3.571% * 0.0524% (0.41 1.0 0.02 0.02) = 0.052% HA2 GLY 30 - HG3 MET 126 3.571% * 0.0493% (0.39 1.0 0.02 0.02) = 0.049% HA THR 61 - HG3 MET 97 3.571% * 0.0388% (0.31 1.0 0.02 0.02) = 0.039% HA VAL 99 - HG3 MET 97 3.571% * 0.0388% (0.31 1.0 0.02 1.69) = 0.039% HA THR 39 - HG3 MET 97 3.571% * 0.0362% (0.28 1.0 0.02 0.02) = 0.036% HA GLN 16 - HG3 MET 97 3.571% * 0.0362% (0.28 1.0 0.02 0.96) = 0.036% HA2 GLY 30 - HG3 MET 97 3.571% * 0.0340% (0.27 1.0 0.02 0.02) = 0.034% HA LYS+ 20 - HG3 MET 126 3.571% * 0.0321% (0.25 1.0 0.02 0.02) = 0.032% HA LYS+ 20 - HG3 MET 97 3.571% * 0.0222% (0.17 1.0 0.02 7.88) = 0.022% HA ASN 89 - HG3 GLN 16 3.571% * 0.0187% (0.15 1.0 0.02 0.02) = 0.019% HA ASN 89 - HG3 GLN 102 3.571% * 0.0174% (0.14 1.0 0.02 0.02) = 0.017% HA ASN 89 - HG3 MET 126 3.571% * 0.0099% (0.08 1.0 0.02 0.02) = 0.010% HA ASN 89 - HG3 MET 97 3.571% * 0.0069% (0.05 1.0 0.02 0.02) = 0.007% Peak 1940 (4.69, 2.11, 33.83 ppm): 8 chemical-shift based assignments, quality = 0.335, support = 3.91, residual support = 63.5: O HA GLN 16 - HG2 GLN 16 12.500% * 99.6181% (0.34 10.0 3.93 63.73) = 99.618% kept HA VAL 99 - HG2 GLN 16 12.500% * 0.0834% (0.28 1.0 0.02 0.02) = 0.083% HA ASN 89 - HG2 GLN 16 12.500% * 0.0743% (0.25 1.0 0.02 0.02) = 0.074% HA THR 61 - HG2 GLN 16 12.500% * 0.0650% (0.22 1.0 0.02 0.02) = 0.065% HA THR 39 - HG2 GLN 16 12.500% * 0.0472% (0.16 1.0 0.02 0.02) = 0.047% HA TYR 83 - HG2 GLN 16 12.500% * 0.0472% (0.16 1.0 0.02 0.02) = 0.047% HA2 GLY 30 - HG2 GLN 16 12.500% * 0.0392% (0.13 1.0 0.02 0.02) = 0.039% HA PRO 35 - HG2 GLN 16 12.500% * 0.0256% (0.09 1.0 0.02 0.02) = 0.026% Peak 1944 (2.33, 2.33, 33.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1945 (2.24, 2.24, 33.79 ppm): 4 diagonal assignments: * HG3 GLN 16 - HG3 GLN 16 (0.99) kept HG3 GLN 102 - HG3 GLN 102 (0.38) kept HG3 MET 126 - HG3 MET 126 (0.07) kept HG3 MET 97 - HG3 MET 97 (0.04) kept Peak 1946 (2.21, 2.23, 33.83 ppm): 4 diagonal assignments: * HG3 MET 126 - HG3 MET 126 (0.66) kept HG3 GLN 102 - HG3 GLN 102 (0.57) kept HG3 MET 97 - HG3 MET 97 (0.30) kept HG2 MET 126 - HG2 MET 126 (0.18) kept Peak 1949 (1.91, 2.23, 33.79 ppm): 60 chemical-shift based assignments, quality = 0.583, support = 2.67, residual support = 32.5: * O T HB3 GLN 102 - HG3 GLN 102 1.667% * 59.9201% (0.79 10.0 10.00 3.00 27.58) = 59.920% kept O HB3 GLN 16 - HG3 GLN 16 1.667% * 24.9623% (0.33 10.0 1.00 3.25 63.73) = 24.962% kept T HG2 GLU- 18 - HG3 GLN 102 1.667% * 8.2999% (0.31 1.0 10.00 0.71 0.77) = 8.300% kept T HD3 LYS+ 63 - HG3 GLN 16 1.667% * 0.6636% (0.88 1.0 10.00 0.02 0.02) = 0.664% T HB3 GLN 102 - HG3 GLN 16 1.667% * 0.6419% (0.85 1.0 10.00 0.02 1.68) = 0.642% T HD3 LYS+ 63 - HG3 GLN 102 1.667% * 0.6195% (0.82 1.0 10.00 0.02 0.02) = 0.620% T HB3 ARG+ 53 - HG3 GLN 16 1.667% * 0.5083% (0.67 1.0 10.00 0.02 0.02) = 0.508% T HB3 ARG+ 53 - HG3 GLN 102 1.667% * 0.4745% (0.63 1.0 10.00 0.02 0.02) = 0.475% T HD3 LYS+ 63 - HG3 MET 126 1.667% * 0.3995% (0.53 1.0 10.00 0.02 0.02) = 0.399% T HB3 GLN 102 - HG3 MET 126 1.667% * 0.3864% (0.51 1.0 10.00 0.02 0.02) = 0.386% T HB3 ARG+ 53 - HG3 MET 126 1.667% * 0.3060% (0.40 1.0 10.00 0.02 0.02) = 0.306% T HG2 GLU- 18 - HG3 GLN 16 1.667% * 0.2496% (0.33 1.0 10.00 0.02 1.50) = 0.250% T HB2 GLU- 10 - HG3 GLN 16 1.667% * 0.2269% (0.30 1.0 10.00 0.02 0.02) = 0.227% T HB2 GLU- 10 - HG3 GLN 102 1.667% * 0.2118% (0.28 1.0 10.00 0.02 0.02) = 0.212% T HD3 LYS+ 63 - HG3 MET 97 1.667% * 0.1680% (0.22 1.0 10.00 0.02 0.02) = 0.168% T HB3 GLN 102 - HG3 MET 97 1.667% * 0.1625% (0.22 1.0 10.00 0.02 0.02) = 0.163% T HG2 GLU- 18 - HG3 MET 126 1.667% * 0.1503% (0.20 1.0 10.00 0.02 0.02) = 0.150% T HB2 GLU- 10 - HG3 MET 126 1.667% * 0.1366% (0.18 1.0 10.00 0.02 0.02) = 0.137% T HD3 LYS+ 63 - HG2 MET 126 1.667% * 0.1351% (0.18 1.0 10.00 0.02 0.02) = 0.135% T HB3 GLN 102 - HG2 MET 126 1.667% * 0.1307% (0.17 1.0 10.00 0.02 0.02) = 0.131% T HB3 ARG+ 53 - HG3 MET 97 1.667% * 0.1287% (0.17 1.0 10.00 0.02 0.02) = 0.129% T HB3 ARG+ 53 - HG2 MET 126 1.667% * 0.1035% (0.14 1.0 10.00 0.02 0.02) = 0.104% HB2 PRO 112 - HG3 GLN 16 1.667% * 0.0633% (0.84 1.0 1.00 0.02 0.02) = 0.063% T HG2 GLU- 18 - HG3 MET 97 1.667% * 0.0632% (0.08 1.0 10.00 0.02 0.02) = 0.063% HB2 PRO 112 - HG3 GLN 102 1.667% * 0.0591% (0.78 1.0 1.00 0.02 0.02) = 0.059% HB2 LEU 23 - HG3 GLN 16 1.667% * 0.0577% (0.76 1.0 1.00 0.02 0.02) = 0.058% T HB2 GLU- 10 - HG3 MET 97 1.667% * 0.0574% (0.08 1.0 10.00 0.02 0.02) = 0.057% HB2 LEU 23 - HG3 GLN 102 1.667% * 0.0539% (0.71 1.0 1.00 0.02 0.96) = 0.054% T HG2 GLU- 18 - HG2 MET 126 1.667% * 0.0508% (0.07 1.0 10.00 0.02 0.02) = 0.051% T HB2 GLU- 10 - HG2 MET 126 1.667% * 0.0462% (0.06 1.0 10.00 0.02 0.02) = 0.046% HB ILE 29 - HG3 GLN 16 1.667% * 0.0457% (0.60 1.0 1.00 0.02 0.02) = 0.046% HB ILE 29 - HG3 GLN 102 1.667% * 0.0426% (0.56 1.0 1.00 0.02 0.02) = 0.043% HB3 CYS 123 - HG3 GLN 16 1.667% * 0.0403% (0.53 1.0 1.00 0.02 0.02) = 0.040% HB2 PRO 112 - HG3 MET 126 1.667% * 0.0381% (0.50 1.0 1.00 0.02 0.02) = 0.038% HB3 CYS 123 - HG3 GLN 102 1.667% * 0.0377% (0.50 1.0 1.00 0.02 0.02) = 0.038% HB2 LEU 23 - HG3 MET 126 1.667% * 0.0347% (0.46 1.0 1.00 0.02 0.02) = 0.035% HB ILE 29 - HG3 MET 126 1.667% * 0.0275% (0.36 1.0 1.00 0.02 0.02) = 0.028% HB3 CYS 123 - HG3 MET 126 1.667% * 0.0243% (0.32 1.0 1.00 0.02 0.02) = 0.024% HB3 GLN 16 - HG3 GLN 102 1.667% * 0.0233% (0.31 1.0 1.00 0.02 1.68) = 0.023% HB2 PRO 116 - HG3 GLN 16 1.667% * 0.0227% (0.30 1.0 1.00 0.02 0.02) = 0.023% HB2 PRO 116 - HG3 GLN 102 1.667% * 0.0212% (0.28 1.0 1.00 0.02 0.02) = 0.021% HG2 PRO 112 - HG3 GLN 16 1.667% * 0.0199% (0.26 1.0 1.00 0.02 0.02) = 0.020% HG2 PRO 112 - HG3 GLN 102 1.667% * 0.0186% (0.25 1.0 1.00 0.02 0.02) = 0.019% HB2 PRO 112 - HG3 MET 97 1.667% * 0.0160% (0.21 1.0 1.00 0.02 0.02) = 0.016% HB3 GLN 16 - HG3 MET 126 1.667% * 0.0150% (0.20 1.0 1.00 0.02 0.02) = 0.015% HB2 LEU 23 - HG3 MET 97 1.667% * 0.0146% (0.19 1.0 1.00 0.02 0.02) = 0.015% HB2 PRO 116 - HG3 MET 126 1.667% * 0.0137% (0.18 1.0 1.00 0.02 0.02) = 0.014% HB2 PRO 112 - HG2 MET 126 1.667% * 0.0129% (0.17 1.0 1.00 0.02 0.02) = 0.013% HG2 PRO 112 - HG3 MET 126 1.667% * 0.0120% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB2 LEU 23 - HG2 MET 126 1.667% * 0.0117% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB ILE 29 - HG3 MET 97 1.667% * 0.0116% (0.15 1.0 1.00 0.02 0.02) = 0.012% HB3 CYS 123 - HG3 MET 97 1.667% * 0.0102% (0.14 1.0 1.00 0.02 0.02) = 0.010% HB ILE 29 - HG2 MET 126 1.667% * 0.0093% (0.12 1.0 1.00 0.02 0.02) = 0.009% HB3 CYS 123 - HG2 MET 126 1.667% * 0.0082% (0.11 1.0 1.00 0.02 0.02) = 0.008% HB3 GLN 16 - HG3 MET 97 1.667% * 0.0063% (0.08 1.0 1.00 0.02 0.96) = 0.006% HB2 PRO 116 - HG3 MET 97 1.667% * 0.0057% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB3 GLN 16 - HG2 MET 126 1.667% * 0.0051% (0.07 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 112 - HG3 MET 97 1.667% * 0.0050% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB2 PRO 116 - HG2 MET 126 1.667% * 0.0046% (0.06 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 112 - HG2 MET 126 1.667% * 0.0041% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 1951 (1.85, 0.68, 33.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1952 (0.73, 2.01, 33.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: QG2 VAL 65 - HB VAL 65 Peak unassigned. Peak 1954 (3.70, 1.67, 33.37 ppm): 3 chemical-shift based assignments, quality = 0.718, support = 3.26, residual support = 40.6: * O T HA LYS+ 81 - HB3 LYS+ 81 33.333% * 78.0206% (0.75 10.0 10.00 3.99 51.89) = 78.021% kept T HB3 SER 69 - HB3 LYS+ 81 33.333% * 21.9000% (0.61 1.0 10.00 0.69 0.43) = 21.900% kept HB2 TRP 51 - HB3 LYS+ 81 33.333% * 0.0794% (0.76 1.0 1.00 0.02 0.02) = 0.079% Peak 1958 (8.35, 1.80, 33.11 ppm): 7 chemical-shift based assignments, quality = 0.735, support = 2.41, residual support = 12.6: * O HN LYS+ 108 - HB3 LYS+ 108 14.286% * 89.3101% (0.72 10.0 2.47 13.53) = 89.310% kept HN GLU- 109 - HB3 LYS+ 108 14.286% * 10.4182% (0.86 1.0 1.95 4.61) = 10.418% kept HN ALA 103 - HB3 LYS+ 108 14.286% * 0.1060% (0.86 1.0 0.02 0.02) = 0.106% HN GLU- 50 - HB3 LYS+ 108 14.286% * 0.0692% (0.56 1.0 0.02 0.02) = 0.069% HN GLY 71 - HB3 LYS+ 108 14.286% * 0.0563% (0.45 1.0 0.02 0.02) = 0.056% HN GLY 114 - HB3 LYS+ 108 14.286% * 0.0238% (0.19 1.0 0.02 0.02) = 0.024% HN ASN 76 - HB3 LYS+ 108 14.286% * 0.0165% (0.13 1.0 0.02 0.02) = 0.016% Peak 1959 (8.33, 1.71, 33.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1960 (8.27, 1.69, 33.19 ppm): 6 chemical-shift based assignments, quality = 0.33, support = 1.11, residual support = 1.42: HN THR 106 - HB3 LYS+ 81 16.667% * 66.0470% (0.35 1.47 2.05) = 66.047% kept HN GLU- 12 - HB3 LYS+ 81 16.667% * 11.8117% (0.10 0.89 0.24) = 11.812% kept HN ASN 89 - HB3 LYS+ 81 16.667% * 8.4318% (0.61 0.11 0.02) = 8.432% kept HN ALA 91 - HB3 LYS+ 81 16.667% * 5.4122% (0.12 0.36 0.52) = 5.412% kept HN ASP- 115 - HB3 LYS+ 81 16.667% * 4.3801% (0.40 0.08 0.02) = 4.380% kept HN ASP- 28 - HB3 LYS+ 81 16.667% * 3.9171% (0.37 0.08 0.02) = 3.917% kept Peak 1961 (8.24, 2.03, 33.03 ppm): 22 chemical-shift based assignments, quality = 0.495, support = 0.194, residual support = 0.239: HN GLU- 12 - HB3 MET 118 4.545% * 32.3886% (0.47 0.32 0.65) = 32.389% kept HN GLU- 45 - HB3 LYS+ 110 4.545% * 16.4348% (0.18 0.42 0.11) = 16.435% kept HN SER 49 - HB3 LYS+ 110 4.545% * 16.3347% (0.79 0.10 0.02) = 16.335% kept HN GLY 58 - HB3 LYS+ 110 4.545% * 3.5442% (0.83 0.02 0.02) = 3.544% kept HN LYS+ 81 - HB3 LYS+ 110 4.545% * 3.5206% (0.82 0.02 0.02) = 3.521% kept HN LEU 67 - HB3 LYS+ 110 4.545% * 3.5206% (0.82 0.02 0.02) = 3.521% kept HN GLU- 12 - HB3 LYS+ 110 4.545% * 3.3601% (0.79 0.02 0.02) = 3.360% kept HN GLY 58 - HB3 MET 118 4.545% * 2.1348% (0.50 0.02 0.02) = 2.135% kept HN LYS+ 81 - HB3 MET 118 4.545% * 2.1206% (0.50 0.02 0.02) = 2.121% kept HN LEU 67 - HB3 MET 118 4.545% * 2.1206% (0.50 0.02 0.02) = 2.121% kept HN SER 49 - HB3 MET 118 4.545% * 2.0239% (0.47 0.02 0.02) = 2.024% kept HN THR 106 - HB3 LYS+ 110 4.545% * 1.8688% (0.44 0.02 0.02) = 1.869% kept HN VAL 94 - HB3 LYS+ 110 4.545% * 1.5925% (0.37 0.02 0.10) = 1.592% kept HN ASP- 115 - HB3 LYS+ 110 4.545% * 1.5925% (0.37 0.02 0.02) = 1.592% kept HN VAL 105 - HB3 LYS+ 110 4.545% * 1.4603% (0.34 0.02 0.02) = 1.460% kept HN THR 106 - HB3 MET 118 4.545% * 1.1256% (0.26 0.02 0.02) = 1.126% kept HN ALA 11 - HB3 LYS+ 110 4.545% * 0.9876% (0.23 0.02 0.02) = 0.988% HN ASP- 115 - HB3 MET 118 4.545% * 0.9592% (0.22 0.02 0.02) = 0.959% HN VAL 94 - HB3 MET 118 4.545% * 0.9592% (0.22 0.02 0.02) = 0.959% HN VAL 105 - HB3 MET 118 4.545% * 0.8796% (0.21 0.02 0.02) = 0.880% HN ALA 11 - HB3 MET 118 4.545% * 0.5949% (0.14 0.02 0.02) = 0.595% HN GLU- 45 - HB3 MET 118 4.545% * 0.4763% (0.11 0.02 0.02) = 0.476% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1963 (4.26, 1.79, 33.17 ppm): 22 chemical-shift based assignments, quality = 0.402, support = 2.22, residual support = 11.5: * O HA LYS+ 108 - HB3 LYS+ 108 4.545% * 75.5505% (0.29 10.0 2.39 13.53) = 75.551% kept HA GLU- 107 - HB3 LYS+ 108 4.545% * 21.3184% (0.85 1.0 1.94 5.96) = 21.318% kept HA LEU 90 - HB3 LYS+ 108 4.545% * 0.4353% (0.39 1.0 0.09 0.02) = 0.435% HA GLU- 75 - HB3 LYS+ 108 4.545% * 0.2442% (0.94 1.0 0.02 0.02) = 0.244% HA GLU- 64 - HB3 LYS+ 108 4.545% * 0.2426% (0.94 1.0 0.02 0.02) = 0.243% HA GLU- 56 - HB3 LYS+ 108 4.545% * 0.2260% (0.87 1.0 0.02 0.02) = 0.226% HA ASN 119 - HB3 LYS+ 108 4.545% * 0.2195% (0.85 1.0 0.02 0.02) = 0.220% HA ASN 76 - HB3 LYS+ 108 4.545% * 0.2123% (0.82 1.0 0.02 0.02) = 0.212% HA ALA 11 - HB3 LYS+ 108 4.545% * 0.1960% (0.76 1.0 0.02 0.02) = 0.196% HA ARG+ 84 - HB3 LYS+ 108 4.545% * 0.1777% (0.69 1.0 0.02 0.02) = 0.178% HA SER 85 - HB3 LYS+ 108 4.545% * 0.1777% (0.69 1.0 0.02 0.02) = 0.178% HA PRO 52 - HB3 LYS+ 108 4.545% * 0.1777% (0.69 1.0 0.02 0.02) = 0.178% HA VAL 94 - HB3 LYS+ 108 4.545% * 0.1681% (0.65 1.0 0.02 0.02) = 0.168% HA PRO 59 - HB3 LYS+ 108 4.545% * 0.1386% (0.54 1.0 0.02 0.17) = 0.139% HA VAL 122 - HB3 LYS+ 108 4.545% * 0.1191% (0.46 1.0 0.02 0.02) = 0.119% HA GLU- 10 - HB3 LYS+ 108 4.545% * 0.0756% (0.29 1.0 0.02 0.02) = 0.076% HA GLU- 54 - HB3 LYS+ 108 4.545% * 0.0756% (0.29 1.0 0.02 0.02) = 0.076% HB3 CYS 121 - HB3 LYS+ 108 4.545% * 0.0610% (0.24 1.0 0.02 0.02) = 0.061% HB3 SER 49 - HB3 LYS+ 108 4.545% * 0.0603% (0.23 1.0 0.02 0.02) = 0.060% HA THR 106 - HB3 LYS+ 108 4.545% * 0.0429% (0.17 1.0 0.02 0.02) = 0.043% HA ALA 42 - HB3 LYS+ 108 4.545% * 0.0429% (0.17 1.0 0.02 0.02) = 0.043% HA CYS 121 - HB3 LYS+ 108 4.545% * 0.0378% (0.15 1.0 0.02 0.02) = 0.038% Peak 1965 (4.12, 2.03, 33.02 ppm): 18 chemical-shift based assignments, quality = 0.625, support = 1.75, residual support = 13.1: * O T HA LYS+ 110 - HB3 LYS+ 110 5.556% * 82.6324% (0.67 10.0 10.00 2.00 15.90) = 82.632% kept T HB3 SER 49 - HB3 MET 118 5.556% * 15.6640% (0.40 1.0 10.00 0.64 0.02) = 15.664% kept T HB3 SER 49 - HB3 LYS+ 110 5.556% * 1.0150% (0.82 1.0 10.00 0.02 0.02) = 1.015% kept HA ARG+ 53 - HB3 LYS+ 110 5.556% * 0.1043% (0.85 1.0 1.00 0.02 0.02) = 0.104% T HA VAL 87 - HB3 MET 118 5.556% * 0.0807% (0.07 1.0 10.00 0.02 0.02) = 0.081% HA2 GLY 71 - HB3 LYS+ 110 5.556% * 0.0743% (0.60 1.0 1.00 0.02 0.02) = 0.074% HA THR 46 - HB3 LYS+ 110 5.556% * 0.0743% (0.60 1.0 1.00 0.02 0.02) = 0.074% HA ARG+ 53 - HB3 MET 118 5.556% * 0.0504% (0.41 1.0 1.00 0.02 0.02) = 0.050% HB2 SER 88 - HB3 LYS+ 110 5.556% * 0.0485% (0.39 1.0 1.00 0.02 0.02) = 0.048% HA LYS+ 110 - HB3 MET 118 5.556% * 0.0399% (0.32 1.0 1.00 0.02 0.02) = 0.040% HA ALA 70 - HB3 LYS+ 110 5.556% * 0.0369% (0.30 1.0 1.00 0.02 0.02) = 0.037% HA THR 46 - HB3 MET 118 5.556% * 0.0359% (0.29 1.0 1.00 0.02 0.02) = 0.036% HA2 GLY 71 - HB3 MET 118 5.556% * 0.0359% (0.29 1.0 1.00 0.02 0.02) = 0.036% HA LYS+ 63 - HB3 LYS+ 110 5.556% * 0.0334% (0.27 1.0 1.00 0.02 0.02) = 0.033% HB2 SER 88 - HB3 MET 118 5.556% * 0.0234% (0.19 1.0 1.00 0.02 0.02) = 0.023% HA ALA 70 - HB3 MET 118 5.556% * 0.0178% (0.14 1.0 1.00 0.02 0.02) = 0.018% HA VAL 87 - HB3 LYS+ 110 5.556% * 0.0167% (0.14 1.0 1.00 0.02 0.02) = 0.017% HA LYS+ 63 - HB3 MET 118 5.556% * 0.0161% (0.13 1.0 1.00 0.02 0.02) = 0.016% Peak 1972 (2.10, 2.09, 32.97 ppm): 5 diagonal assignments: * HB2 MET 118 - HB2 MET 118 (0.98) kept HB2 LYS+ 110 - HB2 LYS+ 110 (0.80) kept HB VAL 125 - HB VAL 125 (0.27) kept HB VAL 87 - HB VAL 87 (0.21) kept HB VAL 105 - HB VAL 105 (0.05) kept Peak 1974 (2.04, 2.03, 33.01 ppm): 1 diagonal assignment: * HB3 LYS+ 110 - HB3 LYS+ 110 (0.80) kept Peak 1988 (1.78, 1.79, 33.13 ppm): 1 diagonal assignment: * HB3 LYS+ 108 - HB3 LYS+ 108 (0.52) kept Peak 1992 (1.63, 2.03, 32.94 ppm): 20 chemical-shift based assignments, quality = 0.605, support = 1.75, residual support = 7.71: T HG12 ILE 101 - HB3 LYS+ 110 5.000% * 50.0119% (0.89 1.0 10.00 0.73 0.77) = 50.012% kept * O HG2 LYS+ 110 - HB3 LYS+ 110 5.000% * 46.0812% (0.30 10.0 1.00 3.00 15.90) = 46.081% kept HG LEU 43 - HB3 LYS+ 110 5.000% * 2.4265% (0.87 1.0 1.00 0.36 0.11) = 2.427% kept T HG3 ARG+ 84 - HB3 LYS+ 110 5.000% * 0.3324% (0.22 1.0 10.00 0.02 0.02) = 0.332% HG LEU 23 - HB3 LYS+ 110 5.000% * 0.1441% (0.93 1.0 1.00 0.02 0.02) = 0.144% HB ILE 68 - HB3 LYS+ 110 5.000% * 0.1339% (0.87 1.0 1.00 0.02 0.02) = 0.134% HB VAL 122 - HB3 LYS+ 110 5.000% * 0.1339% (0.87 1.0 1.00 0.02 0.02) = 0.134% HG2 ARG+ 22 - HB3 LYS+ 110 5.000% * 0.1084% (0.70 1.0 1.00 0.02 0.02) = 0.108% HG3 LYS+ 78 - HB3 LYS+ 110 5.000% * 0.0966% (0.63 1.0 1.00 0.02 0.02) = 0.097% HG LEU 23 - HB3 MET 118 5.000% * 0.0724% (0.47 1.0 1.00 0.02 0.02) = 0.072% HG12 ILE 101 - HB3 MET 118 5.000% * 0.0693% (0.45 1.0 1.00 0.02 0.02) = 0.069% HB VAL 122 - HB3 MET 118 5.000% * 0.0673% (0.44 1.0 1.00 0.02 0.02) = 0.067% HB ILE 68 - HB3 MET 118 5.000% * 0.0673% (0.44 1.0 1.00 0.02 0.02) = 0.067% HG LEU 43 - HB3 MET 118 5.000% * 0.0673% (0.44 1.0 1.00 0.02 0.02) = 0.067% HG2 ARG+ 22 - HB3 MET 118 5.000% * 0.0545% (0.35 1.0 1.00 0.02 0.02) = 0.055% HG3 LYS+ 78 - HB3 MET 118 5.000% * 0.0486% (0.31 1.0 1.00 0.02 0.02) = 0.049% HB3 PRO 52 - HB3 LYS+ 110 5.000% * 0.0295% (0.19 1.0 1.00 0.02 0.02) = 0.030% HG2 LYS+ 110 - HB3 MET 118 5.000% * 0.0232% (0.15 1.0 1.00 0.02 0.02) = 0.023% HG3 ARG+ 84 - HB3 MET 118 5.000% * 0.0167% (0.11 1.0 1.00 0.02 0.02) = 0.017% HB3 PRO 52 - HB3 MET 118 5.000% * 0.0149% (0.10 1.0 1.00 0.02 0.02) = 0.015% Peak 1997 (0.92, 2.03, 32.99 ppm): 26 chemical-shift based assignments, quality = 0.811, support = 1.9, residual support = 15.6: * O HG3 LYS+ 110 - HB3 LYS+ 110 3.846% * 97.7277% (0.83 10.0 1.93 15.90) = 97.728% kept HG3 LYS+ 117 - HB3 MET 118 3.846% * 1.1617% (0.30 1.0 0.63 0.83) = 1.162% kept QG2 VAL 80 - HB3 LYS+ 110 3.846% * 0.1103% (0.90 1.0 0.02 0.02) = 0.110% HG12 ILE 68 - HB3 LYS+ 110 3.846% * 0.0933% (0.76 1.0 0.02 0.02) = 0.093% HG3 LYS+ 117 - HB3 LYS+ 110 3.846% * 0.0891% (0.73 1.0 0.02 0.02) = 0.089% QD1 LEU 67 - HB3 LYS+ 110 3.846% * 0.0801% (0.65 1.0 0.02 0.02) = 0.080% QG1 VAL 47 - HB3 LYS+ 110 3.846% * 0.0707% (0.58 1.0 0.02 0.02) = 0.071% QG2 VAL 105 - HB3 LYS+ 110 3.846% * 0.0613% (0.50 1.0 0.02 0.02) = 0.061% QG2 VAL 40 - HB3 LYS+ 110 3.846% * 0.0613% (0.50 1.0 0.02 0.02) = 0.061% QG2 VAL 87 - HB3 LYS+ 110 3.846% * 0.0613% (0.50 1.0 0.02 0.02) = 0.061% QD1 LEU 17 - HB3 LYS+ 110 3.846% * 0.0567% (0.46 1.0 0.02 0.02) = 0.057% QG1 VAL 105 - HB3 LYS+ 110 3.846% * 0.0523% (0.43 1.0 0.02 0.02) = 0.052% QG2 VAL 80 - HB3 MET 118 3.846% * 0.0455% (0.37 1.0 0.02 0.02) = 0.045% HG3 LYS+ 110 - HB3 MET 118 3.846% * 0.0417% (0.34 1.0 0.02 0.02) = 0.042% HG12 ILE 68 - HB3 MET 118 3.846% * 0.0385% (0.31 1.0 0.02 0.02) = 0.038% QD1 LEU 67 - HB3 MET 118 3.846% * 0.0330% (0.27 1.0 0.02 0.02) = 0.033% QG1 VAL 47 - HB3 MET 118 3.846% * 0.0292% (0.24 1.0 0.02 0.02) = 0.029% QG1 VAL 80 - HB3 LYS+ 110 3.846% * 0.0260% (0.21 1.0 0.02 0.02) = 0.026% QG2 VAL 105 - HB3 MET 118 3.846% * 0.0253% (0.21 1.0 0.02 0.02) = 0.025% QG2 VAL 40 - HB3 MET 118 3.846% * 0.0253% (0.21 1.0 0.02 0.02) = 0.025% QG2 VAL 87 - HB3 MET 118 3.846% * 0.0253% (0.21 1.0 0.02 0.02) = 0.025% QD1 LEU 17 - HB3 MET 118 3.846% * 0.0234% (0.19 1.0 0.02 0.02) = 0.023% QG1 VAL 105 - HB3 MET 118 3.846% * 0.0216% (0.18 1.0 0.02 0.02) = 0.022% QG2 VAL 62 - HB3 LYS+ 110 3.846% * 0.0204% (0.17 1.0 0.02 0.02) = 0.020% QG1 VAL 80 - HB3 MET 118 3.846% * 0.0107% (0.09 1.0 0.02 0.02) = 0.011% QG2 VAL 62 - HB3 MET 118 3.846% * 0.0084% (0.07 1.0 0.02 0.02) = 0.008% Peak 1999 (4.67, 2.58, 32.91 ppm): 6 chemical-shift based assignments, quality = 0.721, support = 2.95, residual support = 14.9: * O HA PRO 35 - HB3 PRO 35 16.667% * 99.6690% (0.72 10.0 2.96 14.98) = 99.669% kept HA TYR 83 - HB3 PRO 35 16.667% * 0.1139% (0.83 1.0 0.02 0.02) = 0.114% HA ASN 89 - HB3 PRO 35 16.667% * 0.1109% (0.81 1.0 0.02 0.02) = 0.111% HA LYS+ 120 - HB3 PRO 35 16.667% * 0.0651% (0.47 1.0 0.02 0.02) = 0.065% HA GLN 16 - HB3 PRO 35 16.667% * 0.0256% (0.19 1.0 0.02 0.02) = 0.026% HA VAL 99 - HB3 PRO 35 16.667% * 0.0156% (0.11 1.0 0.02 0.02) = 0.016% Peak 2000 (4.53, 1.79, 32.73 ppm): 5 chemical-shift based assignments, quality = 0.259, support = 0.77, residual support = 0.624: HA LYS+ 55 - HB3 LYS+ 63 20.000% * 86.6288% (0.23 0.89 0.72) = 86.629% kept HA ALA 103 - HB3 LYS+ 63 20.000% * 5.5325% (0.64 0.02 0.02) = 5.533% kept HB THR 46 - HB3 LYS+ 63 20.000% * 3.7086% (0.43 0.02 0.02) = 3.709% kept HA LEU 17 - HB3 LYS+ 63 20.000% * 3.2456% (0.37 0.02 0.02) = 3.246% kept HB THR 79 - HB3 LYS+ 63 20.000% * 0.8845% (0.10 0.02 0.02) = 0.885% Peak 2001 (4.00, 1.96, 32.85 ppm): 24 chemical-shift based assignments, quality = 0.499, support = 1.84, residual support = 9.22: O T HA VAL 13 - HB VAL 13 4.167% * 90.0047% (0.48 10.0 10.00 2.00 10.25) = 90.005% kept HA THR 38 - HB2 PRO 35 4.167% * 5.2805% (0.84 1.0 1.00 0.67 0.02) = 5.280% kept HA THR 38 - HB VAL 13 4.167% * 1.7586% (0.69 1.0 1.00 0.27 0.02) = 1.759% kept T HA VAL 13 - HB2 PRO 35 4.167% * 1.0978% (0.59 1.0 10.00 0.02 0.02) = 1.098% kept T HA VAL 13 - HB3 LYS+ 55 4.167% * 0.8668% (0.47 1.0 10.00 0.02 0.02) = 0.867% HB THR 95 - HB2 PRO 35 4.167% * 0.1584% (0.85 1.0 1.00 0.02 0.02) = 0.158% HB THR 95 - HB VAL 13 4.167% * 0.1299% (0.70 1.0 1.00 0.02 0.02) = 0.130% T HA VAL 13 - HB2 LYS+ 108 4.167% * 0.1283% (0.07 1.0 10.00 0.02 0.02) = 0.128% HB THR 95 - HB3 LYS+ 55 4.167% * 0.1251% (0.67 1.0 1.00 0.02 0.02) = 0.125% HA THR 38 - HB3 LYS+ 55 4.167% * 0.1237% (0.67 1.0 1.00 0.02 0.02) = 0.124% HA1 GLY 92 - HB2 PRO 35 4.167% * 0.0778% (0.42 1.0 1.00 0.02 0.02) = 0.078% HA1 GLY 92 - HB VAL 13 4.167% * 0.0638% (0.34 1.0 1.00 0.02 0.02) = 0.064% HA1 GLY 92 - HB3 LYS+ 55 4.167% * 0.0614% (0.33 1.0 1.00 0.02 0.02) = 0.061% HB THR 95 - HB2 LYS+ 108 4.167% * 0.0185% (0.10 1.0 1.00 0.02 0.02) = 0.019% HA THR 38 - HB2 LYS+ 108 4.167% * 0.0183% (0.10 1.0 1.00 0.02 0.02) = 0.018% HB THR 95 - HB2 GLU- 75 4.167% * 0.0160% (0.09 1.0 1.00 0.02 0.02) = 0.016% HA THR 38 - HB2 GLU- 75 4.167% * 0.0158% (0.08 1.0 1.00 0.02 0.02) = 0.016% HA VAL 13 - HB2 GLU- 75 4.167% * 0.0111% (0.06 1.0 1.00 0.02 0.56) = 0.011% HA1 GLY 92 - HB2 LYS+ 108 4.167% * 0.0091% (0.05 1.0 1.00 0.02 0.02) = 0.009% HB THR 95 - HB2 PRO 116 4.167% * 0.0084% (0.05 1.0 1.00 0.02 0.02) = 0.008% HA THR 38 - HB2 PRO 116 4.167% * 0.0083% (0.04 1.0 1.00 0.02 0.02) = 0.008% HA1 GLY 92 - HB2 GLU- 75 4.167% * 0.0078% (0.04 1.0 1.00 0.02 0.02) = 0.008% HA VAL 13 - HB2 PRO 116 4.167% * 0.0058% (0.03 1.0 1.00 0.02 0.02) = 0.006% HA1 GLY 92 - HB2 PRO 116 4.167% * 0.0041% (0.02 1.0 1.00 0.02 0.02) = 0.004% Peak 2019 (1.61, 2.12, 32.96 ppm): 50 chemical-shift based assignments, quality = 0.203, support = 1.78, residual support = 12.2: * O HG2 LYS+ 110 - HB2 LYS+ 110 2.000% * 76.8023% (0.21 10.0 1.00 2.25 15.90) = 76.802% kept T HG LEU 43 - HB2 LYS+ 110 2.000% * 7.5933% (0.14 1.0 10.00 0.30 0.11) = 7.593% kept T HG LEU 43 - HB2 MET 118 2.000% * 3.1292% (0.23 1.0 10.00 0.08 0.02) = 3.129% kept HG12 ILE 101 - HB2 LYS+ 110 2.000% * 2.0403% (0.13 1.0 1.00 0.87 0.77) = 2.040% kept T HG LEU 43 - HB VAL 87 2.000% * 1.9880% (0.55 1.0 10.00 0.02 0.02) = 1.988% kept T HG LEU 43 - HB VAL 105 2.000% * 1.6195% (0.45 1.0 10.00 0.02 0.02) = 1.619% kept HD3 LYS+ 32 - HB2 LYS+ 110 2.000% * 1.2317% (0.17 1.0 1.00 0.40 0.02) = 1.232% kept T HG LEU 43 - HB VAL 125 2.000% * 0.7872% (0.05 1.0 10.00 0.10 0.14) = 0.787% HG2 LYS+ 110 - HB VAL 87 2.000% * 0.3046% (0.84 1.0 1.00 0.02 0.02) = 0.305% HB3 PRO 52 - HB VAL 87 2.000% * 0.2837% (0.78 1.0 1.00 0.02 0.02) = 0.284% HG3 LYS+ 78 - HB VAL 87 2.000% * 0.2756% (0.76 1.0 1.00 0.02 0.02) = 0.276% HG2 LYS+ 110 - HB VAL 105 2.000% * 0.2481% (0.68 1.0 1.00 0.02 0.02) = 0.248% HD3 LYS+ 32 - HB VAL 87 2.000% * 0.2461% (0.68 1.0 1.00 0.02 0.21) = 0.246% HB3 PRO 52 - HB VAL 105 2.000% * 0.2311% (0.64 1.0 1.00 0.02 0.02) = 0.231% HG3 LYS+ 78 - HB VAL 105 2.000% * 0.2245% (0.62 1.0 1.00 0.02 0.02) = 0.225% HD3 LYS+ 32 - HB VAL 105 2.000% * 0.2005% (0.55 1.0 1.00 0.02 0.02) = 0.200% HB VAL 122 - HB VAL 87 2.000% * 0.1988% (0.55 1.0 1.00 0.02 0.02) = 0.199% HB ILE 68 - HB VAL 87 2.000% * 0.1988% (0.55 1.0 1.00 0.02 0.02) = 0.199% HG12 ILE 101 - HB VAL 87 2.000% * 0.1864% (0.51 1.0 1.00 0.02 0.02) = 0.186% HB VAL 122 - HB VAL 105 2.000% * 0.1619% (0.45 1.0 1.00 0.02 0.02) = 0.162% HB ILE 68 - HB VAL 105 2.000% * 0.1619% (0.45 1.0 1.00 0.02 0.60) = 0.162% HG LEU 23 - HB VAL 87 2.000% * 0.1617% (0.45 1.0 1.00 0.02 0.45) = 0.162% HG12 ILE 101 - HB VAL 105 2.000% * 0.1518% (0.42 1.0 1.00 0.02 0.02) = 0.152% HG LEU 23 - HB VAL 105 2.000% * 0.1317% (0.36 1.0 1.00 0.02 0.12) = 0.132% HG2 LYS+ 110 - HB2 MET 118 2.000% * 0.1252% (0.35 1.0 1.00 0.02 0.02) = 0.125% HB3 PRO 52 - HB2 MET 118 2.000% * 0.1166% (0.32 1.0 1.00 0.02 0.02) = 0.117% HG3 LYS+ 78 - HB2 MET 118 2.000% * 0.1133% (0.31 1.0 1.00 0.02 0.02) = 0.113% HD3 LYS+ 32 - HB2 MET 118 2.000% * 0.1012% (0.28 1.0 1.00 0.02 0.02) = 0.101% HB3 LYS+ 32 - HB VAL 87 2.000% * 0.0949% (0.26 1.0 1.00 0.02 0.21) = 0.095% HB VAL 122 - HB2 MET 118 2.000% * 0.0817% (0.23 1.0 1.00 0.02 0.02) = 0.082% HB ILE 68 - HB2 MET 118 2.000% * 0.0817% (0.23 1.0 1.00 0.02 0.02) = 0.082% HB3 LYS+ 32 - HB VAL 105 2.000% * 0.0773% (0.21 1.0 1.00 0.02 0.02) = 0.077% HG12 ILE 101 - HB2 MET 118 2.000% * 0.0766% (0.21 1.0 1.00 0.02 0.02) = 0.077% HB3 PRO 52 - HB2 LYS+ 110 2.000% * 0.0715% (0.20 1.0 1.00 0.02 0.02) = 0.072% HG3 LYS+ 78 - HB2 LYS+ 110 2.000% * 0.0695% (0.19 1.0 1.00 0.02 0.02) = 0.069% HG LEU 23 - HB2 MET 118 2.000% * 0.0665% (0.18 1.0 1.00 0.02 0.02) = 0.066% HB ILE 68 - HB2 LYS+ 110 2.000% * 0.0501% (0.14 1.0 1.00 0.02 0.02) = 0.050% HB VAL 122 - HB2 LYS+ 110 2.000% * 0.0501% (0.14 1.0 1.00 0.02 0.02) = 0.050% HG LEU 23 - HB2 LYS+ 110 2.000% * 0.0408% (0.11 1.0 1.00 0.02 0.02) = 0.041% HB3 LYS+ 32 - HB2 MET 118 2.000% * 0.0390% (0.11 1.0 1.00 0.02 0.02) = 0.039% HG2 LYS+ 110 - HB VAL 125 2.000% * 0.0252% (0.07 1.0 1.00 0.02 0.02) = 0.025% HB3 LYS+ 32 - HB2 LYS+ 110 2.000% * 0.0239% (0.07 1.0 1.00 0.02 0.02) = 0.024% HB3 PRO 52 - HB VAL 125 2.000% * 0.0235% (0.06 1.0 1.00 0.02 0.02) = 0.023% HG3 LYS+ 78 - HB VAL 125 2.000% * 0.0228% (0.06 1.0 1.00 0.02 0.02) = 0.023% HD3 LYS+ 32 - HB VAL 125 2.000% * 0.0204% (0.06 1.0 1.00 0.02 0.02) = 0.020% HB VAL 122 - HB VAL 125 2.000% * 0.0164% (0.05 1.0 1.00 0.02 0.02) = 0.016% HB ILE 68 - HB VAL 125 2.000% * 0.0164% (0.05 1.0 1.00 0.02 0.02) = 0.016% HG12 ILE 101 - HB VAL 125 2.000% * 0.0154% (0.04 1.0 1.00 0.02 0.02) = 0.015% HG LEU 23 - HB VAL 125 2.000% * 0.0134% (0.04 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 32 - HB VAL 125 2.000% * 0.0078% (0.02 1.0 1.00 0.02 0.02) = 0.008% Peak 2020 (1.53, 2.03, 32.90 ppm): 24 chemical-shift based assignments, quality = 0.189, support = 0.24, residual support = 0.185: QB ALA 42 - HB3 LYS+ 110 4.167% * 50.0355% (0.18 0.42 0.34) = 50.036% kept QG2 THR 24 - HB3 LYS+ 110 4.167% * 5.4304% (0.41 0.02 0.02) = 5.430% kept HG13 ILE 29 - HB3 GLU- 75 4.167% * 5.1567% (0.02 0.32 0.02) = 5.157% kept HG13 ILE 29 - HB3 LYS+ 110 4.167% * 4.1317% (0.31 0.02 0.02) = 4.132% kept HG3 LYS+ 72 - HB3 LYS+ 110 4.167% * 4.1317% (0.31 0.02 0.02) = 4.132% kept QG2 THR 24 - HB3 MET 118 4.167% * 3.3360% (0.25 0.02 0.02) = 3.336% kept HB3 LEU 90 - HB3 LYS+ 110 4.167% * 3.0203% (0.23 0.02 0.02) = 3.020% kept HB2 LYS+ 72 - HB3 LYS+ 110 4.167% * 3.0203% (0.23 0.02 0.02) = 3.020% kept QB ALA 42 - HB3 GLU- 75 4.167% * 2.5946% (0.01 0.27 0.02) = 2.595% kept HG3 LYS+ 72 - HB3 MET 118 4.167% * 2.5381% (0.19 0.02 0.02) = 2.538% kept HG13 ILE 29 - HB3 MET 118 4.167% * 2.5381% (0.19 0.02 0.02) = 2.538% kept HG12 ILE 29 - HB3 LYS+ 110 4.167% * 2.3971% (0.18 0.02 0.02) = 2.397% kept HD3 LYS+ 108 - HB3 LYS+ 110 4.167% * 2.1213% (0.16 0.02 0.39) = 2.121% kept HB3 LEU 90 - HB3 MET 118 4.167% * 1.8554% (0.14 0.02 0.02) = 1.855% kept HB2 LYS+ 72 - HB3 MET 118 4.167% * 1.8554% (0.14 0.02 0.02) = 1.855% kept QB ALA 42 - HB3 MET 118 4.167% * 1.4725% (0.11 0.02 0.02) = 1.473% kept HG12 ILE 29 - HB3 MET 118 4.167% * 1.4725% (0.11 0.02 0.02) = 1.473% kept HD3 LYS+ 108 - HB3 MET 118 4.167% * 1.3031% (0.10 0.02 0.02) = 1.303% kept QG2 THR 24 - HB3 GLU- 75 4.167% * 0.4289% (0.03 0.02 0.02) = 0.429% HG3 LYS+ 72 - HB3 GLU- 75 4.167% * 0.3263% (0.02 0.02 0.02) = 0.326% HB3 LEU 90 - HB3 GLU- 75 4.167% * 0.2386% (0.02 0.02 0.39) = 0.239% HB2 LYS+ 72 - HB3 GLU- 75 4.167% * 0.2386% (0.02 0.02 0.02) = 0.239% HG12 ILE 29 - HB3 GLU- 75 4.167% * 0.1893% (0.01 0.02 0.02) = 0.189% HD3 LYS+ 108 - HB3 GLU- 75 4.167% * 0.1676% (0.01 0.02 0.02) = 0.168% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 2021 (1.45, 1.78, 32.89 ppm): 39 chemical-shift based assignments, quality = 0.125, support = 0.989, residual support = 0.881: HG3 LYS+ 60 - HB3 LYS+ 63 2.564% * 33.5361% (0.18 1.45 1.04) = 33.536% kept HG3 LYS+ 55 - HB3 LYS+ 63 2.564% * 17.8703% (0.11 1.32 0.72) = 17.870% kept HD3 LYS+ 113 - HB3 LYS+ 63 2.564% * 11.5675% (0.10 0.92 1.30) = 11.567% kept HG3 PRO 52 - HB3 LYS+ 63 2.564% * 11.1520% (0.10 0.89 1.22) = 11.152% kept HG3 LYS+ 113 - HB3 LYS+ 63 2.564% * 7.1643% (0.12 0.46 1.30) = 7.164% kept HG2 PRO 59 - HB3 LYS+ 63 2.564% * 4.5969% (0.18 0.20 0.02) = 4.597% kept QG2 THR 38 - HB3 LYS+ 108 2.564% * 2.6987% (0.07 0.29 0.02) = 2.699% kept HD3 LYS+ 44 - HB3 LYS+ 63 2.564% * 1.9503% (0.05 0.34 1.25) = 1.950% kept HD3 LYS+ 44 - HB3 LYS+ 108 2.564% * 1.3704% (0.04 0.25 0.02) = 1.370% kept HG3 LYS+ 55 - HB2 LYS+ 117 2.564% * 0.8644% (0.07 0.10 0.02) = 0.864% HG3 LYS+ 60 - HB3 LYS+ 108 2.564% * 0.4429% (0.18 0.02 0.02) = 0.443% HG2 PRO 59 - HB3 LYS+ 108 2.564% * 0.4429% (0.18 0.02 0.17) = 0.443% HG LEU 90 - HB3 LYS+ 63 2.564% * 0.4298% (0.17 0.02 0.02) = 0.430% HG LEU 90 - HB3 LYS+ 108 2.564% * 0.4125% (0.16 0.02 0.02) = 0.412% HG13 ILE 48 - HB3 LYS+ 63 2.564% * 0.3737% (0.15 0.02 0.02) = 0.374% HG13 ILE 48 - HB3 LYS+ 108 2.564% * 0.3586% (0.14 0.02 0.02) = 0.359% HG3 LYS+ 60 - HB2 LYS+ 117 2.564% * 0.3015% (0.12 0.02 0.02) = 0.302% HG2 PRO 59 - HB2 LYS+ 117 2.564% * 0.3015% (0.12 0.02 0.02) = 0.302% HG3 LYS+ 113 - HB3 LYS+ 108 2.564% * 0.2995% (0.12 0.02 0.02) = 0.300% HG LEU 90 - HB2 LYS+ 117 2.564% * 0.2808% (0.11 0.02 0.02) = 0.281% HG3 ARG+ 22 - HB3 LYS+ 63 2.564% * 0.2707% (0.11 0.02 0.02) = 0.271% HG3 ARG+ 22 - HB3 LYS+ 108 2.564% * 0.2598% (0.10 0.02 0.02) = 0.260% HG3 LYS+ 55 - HB3 LYS+ 108 2.564% * 0.2598% (0.10 0.02 0.02) = 0.260% HG13 ILE 48 - HB2 LYS+ 117 2.564% * 0.2442% (0.10 0.02 0.02) = 0.244% HD3 LYS+ 113 - HB3 LYS+ 108 2.564% * 0.2404% (0.10 0.02 0.02) = 0.240% HG3 PRO 52 - HB3 LYS+ 108 2.564% * 0.2404% (0.10 0.02 0.02) = 0.240% HB3 LEU 67 - HB3 LYS+ 63 2.564% * 0.2116% (0.08 0.02 0.02) = 0.212% HG3 LYS+ 113 - HB2 LYS+ 117 2.564% * 0.2039% (0.08 0.02 0.02) = 0.204% HB3 LEU 67 - HB3 LYS+ 108 2.564% * 0.2030% (0.08 0.02 0.02) = 0.203% QG2 THR 38 - HB3 LYS+ 63 2.564% * 0.1931% (0.08 0.02 0.02) = 0.193% HG3 ARG+ 22 - HB2 LYS+ 117 2.564% * 0.1769% (0.07 0.02 0.02) = 0.177% HG3 PRO 52 - HB2 LYS+ 117 2.564% * 0.1637% (0.07 0.02 0.02) = 0.164% HD3 LYS+ 113 - HB2 LYS+ 117 2.564% * 0.1637% (0.07 0.02 0.02) = 0.164% QB ALA 91 - HB3 LYS+ 63 2.564% * 0.1588% (0.06 0.02 0.02) = 0.159% QB ALA 91 - HB3 LYS+ 108 2.564% * 0.1524% (0.06 0.02 0.02) = 0.152% HB3 LEU 67 - HB2 LYS+ 117 2.564% * 0.1382% (0.06 0.02 0.02) = 0.138% QG2 THR 38 - HB2 LYS+ 117 2.564% * 0.1262% (0.05 0.02 0.40) = 0.126% QB ALA 91 - HB2 LYS+ 117 2.564% * 0.1038% (0.04 0.02 0.02) = 0.104% HD3 LYS+ 44 - HB2 LYS+ 117 2.564% * 0.0749% (0.03 0.02 0.02) = 0.075% Reference assignment not found: HG2 PRO 59 - HB2 PRO 59 Not enough quality. Peak unassigned. Peak 2022 (1.43, 2.03, 32.92 ppm): 39 chemical-shift based assignments, quality = 0.433, support = 0.347, residual support = 0.643: HD3 LYS+ 44 - HB3 GLU- 75 2.564% * 18.5504% (0.05 1.40 3.27) = 18.550% kept HG13 ILE 48 - HB3 LYS+ 110 2.564% * 6.1838% (0.25 0.10 0.02) = 6.184% kept HG3 LYS+ 60 - HB3 GLU- 75 2.564% * 6.0136% (0.03 0.76 0.18) = 6.014% kept HG3 LYS+ 113 - HB3 LYS+ 110 2.564% * 4.9834% (0.98 0.02 0.02) = 4.983% kept HG LEU 90 - HB3 LYS+ 110 2.564% * 4.8522% (0.95 0.02 0.02) = 4.852% kept HG3 LYS+ 55 - HB3 LYS+ 110 2.564% * 4.8522% (0.95 0.02 0.02) = 4.852% kept HG3 ARG+ 22 - HB3 LYS+ 110 2.564% * 4.8522% (0.95 0.02 0.02) = 4.852% kept HD3 LYS+ 113 - HB3 LYS+ 110 2.564% * 4.7562% (0.93 0.02 0.02) = 4.756% kept QG2 THR 38 - HB3 LYS+ 110 2.564% * 4.3613% (0.86 0.02 0.02) = 4.361% kept QB ALA 91 - HB3 LYS+ 110 2.564% * 4.0260% (0.79 0.02 0.13) = 4.026% kept HG2 PRO 59 - HB3 GLU- 75 2.564% * 3.9732% (0.03 0.50 0.22) = 3.973% kept HD3 LYS+ 44 - HB3 LYS+ 110 2.564% * 3.4537% (0.68 0.02 0.02) = 3.454% kept HG3 LYS+ 113 - HB3 MET 118 2.564% * 2.1459% (0.42 0.02 0.02) = 2.146% kept HG LEU 90 - HB3 MET 118 2.564% * 2.0894% (0.41 0.02 0.02) = 2.089% kept HG3 ARG+ 22 - HB3 MET 118 2.564% * 2.0894% (0.41 0.02 0.02) = 2.089% kept HG3 LYS+ 55 - HB3 MET 118 2.564% * 2.0894% (0.41 0.02 0.02) = 2.089% kept HG3 LYS+ 60 - HB3 LYS+ 110 2.564% * 2.0670% (0.41 0.02 0.02) = 2.067% kept HG2 PRO 59 - HB3 LYS+ 110 2.564% * 2.0670% (0.41 0.02 0.02) = 2.067% kept HD3 LYS+ 113 - HB3 MET 118 2.564% * 2.0481% (0.40 0.02 0.02) = 2.048% kept QG2 THR 38 - HB3 MET 118 2.564% * 1.8780% (0.37 0.02 0.02) = 1.878% kept QB ALA 91 - HB3 MET 118 2.564% * 1.7336% (0.34 0.02 0.02) = 1.734% kept HD3 LYS+ 44 - HB3 MET 118 2.564% * 1.4872% (0.29 0.02 0.02) = 1.487% kept QB ALA 37 - HB3 LYS+ 110 2.564% * 1.3979% (0.27 0.02 0.02) = 1.398% kept HG13 ILE 48 - HB3 GLU- 75 2.564% * 1.3428% (0.02 0.28 0.02) = 1.343% kept HG2 PRO 59 - HB3 MET 118 2.564% * 0.8901% (0.17 0.02 0.02) = 0.890% HG3 LYS+ 60 - HB3 MET 118 2.564% * 0.8901% (0.17 0.02 0.02) = 0.890% HG LEU 67 - HB3 LYS+ 110 2.564% * 0.7758% (0.15 0.02 0.02) = 0.776% QB ALA 37 - HB3 MET 118 2.564% * 0.6020% (0.12 0.02 0.02) = 0.602% HG13 ILE 48 - HB3 MET 118 2.564% * 0.5399% (0.11 0.02 0.02) = 0.540% HG3 LYS+ 113 - HB3 GLU- 75 2.564% * 0.3823% (0.08 0.02 0.02) = 0.382% HG3 ARG+ 22 - HB3 GLU- 75 2.564% * 0.3723% (0.07 0.02 0.02) = 0.372% HG3 LYS+ 55 - HB3 GLU- 75 2.564% * 0.3723% (0.07 0.02 0.02) = 0.372% HG LEU 90 - HB3 GLU- 75 2.564% * 0.3723% (0.07 0.02 0.39) = 0.372% HD3 LYS+ 113 - HB3 GLU- 75 2.564% * 0.3649% (0.07 0.02 0.02) = 0.365% QG2 THR 38 - HB3 GLU- 75 2.564% * 0.3346% (0.07 0.02 0.02) = 0.335% HG LEU 67 - HB3 MET 118 2.564% * 0.3341% (0.07 0.02 0.02) = 0.334% QB ALA 91 - HB3 GLU- 75 2.564% * 0.3089% (0.06 0.02 0.12) = 0.309% QB ALA 37 - HB3 GLU- 75 2.564% * 0.1072% (0.02 0.02 0.02) = 0.107% HG LEU 67 - HB3 GLU- 75 2.564% * 0.0595% (0.01 0.02 0.26) = 0.060% Too many assignments. Peak unassigned. Peak 2023 (1.25, 2.11, 32.95 ppm): 15 chemical-shift based assignments, quality = 0.181, support = 0.039, residual support = 0.0757: HB3 LEU 74 - HB2 MET 118 6.667% * 22.2393% (0.12 0.11 0.02) = 22.239% kept HG12 ILE 100 - HB VAL 87 6.667% * 11.0015% (0.31 0.02 0.35) = 11.001% kept HG2 LYS+ 32 - HB VAL 87 6.667% * 9.9545% (0.28 0.02 0.21) = 9.955% kept HG12 ILE 100 - HB2 MET 118 6.667% * 8.1712% (0.23 0.02 0.02) = 8.171% kept HG2 LYS+ 32 - HB2 MET 118 6.667% * 7.3936% (0.21 0.02 0.02) = 7.394% kept HG12 ILE 100 - HB VAL 105 6.667% * 7.0601% (0.20 0.02 0.02) = 7.060% kept HG2 LYS+ 32 - HB VAL 105 6.667% * 6.3883% (0.18 0.02 0.02) = 6.388% kept HG12 ILE 100 - HB2 LYS+ 110 6.667% * 5.9276% (0.16 0.02 0.02) = 5.928% kept HB3 LEU 74 - HB VAL 87 6.667% * 5.6483% (0.16 0.02 0.02) = 5.648% kept HG2 LYS+ 32 - HB2 LYS+ 110 6.667% * 5.3635% (0.15 0.02 0.02) = 5.363% kept HB3 LEU 74 - HB VAL 105 6.667% * 3.6248% (0.10 0.02 0.02) = 3.625% kept HB3 LEU 74 - HB2 LYS+ 110 6.667% * 3.0433% (0.08 0.02 0.02) = 3.043% kept HG12 ILE 100 - HB VAL 125 6.667% * 1.7302% (0.05 0.02 0.02) = 1.730% kept HG2 LYS+ 32 - HB VAL 125 6.667% * 1.5655% (0.04 0.02 0.02) = 1.566% kept HB3 LEU 74 - HB VAL 125 6.667% * 0.8883% (0.02 0.02 0.02) = 0.888% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 2026 (0.84, 1.97, 32.87 ppm): 54 chemical-shift based assignments, quality = 0.568, support = 1.61, residual support = 9.96: * O QG2 VAL 13 - HB VAL 13 1.852% * 68.3046% (0.62 10.0 1.00 1.93 10.25) = 68.305% kept O QG1 VAL 13 - HB VAL 13 1.852% * 28.8663% (0.50 10.0 1.00 1.00 10.25) = 28.866% kept T QG1 VAL 94 - HB2 LYS+ 108 1.852% * 1.4987% (0.09 1.0 10.00 0.30 0.02) = 1.499% kept T QG1 VAL 94 - HB3 MET 118 1.852% * 0.1120% (0.10 1.0 10.00 0.02 0.02) = 0.112% QG2 VAL 13 - HB2 PRO 35 1.852% * 0.0741% (0.65 1.0 1.00 0.02 0.02) = 0.074% HG2 LYS+ 117 - HB2 PRO 35 1.852% * 0.0729% (0.64 1.0 1.00 0.02 0.02) = 0.073% HG2 LYS+ 117 - HB VAL 13 1.852% * 0.0696% (0.61 1.0 1.00 0.02 0.02) = 0.070% QD1 ILE 29 - HB2 PRO 35 1.852% * 0.0605% (0.53 1.0 1.00 0.02 0.02) = 0.061% QG1 VAL 13 - HB2 PRO 35 1.852% * 0.0605% (0.53 1.0 1.00 0.02 0.02) = 0.061% QD1 ILE 29 - HB VAL 13 1.852% * 0.0577% (0.50 1.0 1.00 0.02 0.02) = 0.058% QG2 VAL 13 - HB3 LYS+ 55 1.852% * 0.0517% (0.45 1.0 1.00 0.02 0.02) = 0.052% HG2 LYS+ 117 - HB3 LYS+ 55 1.852% * 0.0509% (0.44 1.0 1.00 0.02 0.02) = 0.051% T QG1 VAL 13 - HB2 GLU- 75 1.852% * 0.0483% (0.04 1.0 10.00 0.02 0.56) = 0.048% T QD1 ILE 29 - HB2 GLU- 75 1.852% * 0.0483% (0.04 1.0 10.00 0.02 0.02) = 0.048% QG1 VAL 13 - HB3 LYS+ 55 1.852% * 0.0423% (0.37 1.0 1.00 0.02 0.02) = 0.042% QD1 ILE 29 - HB3 LYS+ 55 1.852% * 0.0423% (0.37 1.0 1.00 0.02 0.02) = 0.042% QG1 VAL 94 - HB2 PRO 35 1.852% * 0.0398% (0.35 1.0 1.00 0.02 0.02) = 0.040% QG1 VAL 94 - HB VAL 13 1.852% * 0.0379% (0.33 1.0 1.00 0.02 0.02) = 0.038% QG1 VAL 94 - HB3 LYS+ 55 1.852% * 0.0278% (0.24 1.0 1.00 0.02 0.02) = 0.028% QD1 LEU 90 - HB2 PRO 35 1.852% * 0.0233% (0.20 1.0 1.00 0.02 0.02) = 0.023% QD2 LEU 17 - HB2 PRO 35 1.852% * 0.0233% (0.20 1.0 1.00 0.02 0.02) = 0.023% QD1 LEU 90 - HB VAL 13 1.852% * 0.0223% (0.19 1.0 1.00 0.02 0.02) = 0.022% QD2 LEU 17 - HB VAL 13 1.852% * 0.0223% (0.19 1.0 1.00 0.02 0.02) = 0.022% QG2 ILE 100 - HB2 PRO 35 1.852% * 0.0210% (0.18 1.0 1.00 0.02 0.02) = 0.021% QG2 VAL 13 - HB3 MET 118 1.852% * 0.0209% (0.18 1.0 1.00 0.02 0.44) = 0.021% HG2 LYS+ 117 - HB3 MET 118 1.852% * 0.0205% (0.18 1.0 1.00 0.02 0.83) = 0.021% QG2 ILE 100 - HB VAL 13 1.852% * 0.0200% (0.18 1.0 1.00 0.02 0.14) = 0.020% QG2 VAL 13 - HB2 LYS+ 108 1.852% * 0.0186% (0.16 1.0 1.00 0.02 0.02) = 0.019% HG2 LYS+ 117 - HB2 LYS+ 108 1.852% * 0.0184% (0.16 1.0 1.00 0.02 0.02) = 0.018% QD1 ILE 29 - HB3 MET 118 1.852% * 0.0170% (0.15 1.0 1.00 0.02 0.02) = 0.017% QG1 VAL 13 - HB3 MET 118 1.852% * 0.0170% (0.15 1.0 1.00 0.02 0.44) = 0.017% QD2 LEU 90 - HB2 PRO 35 1.852% * 0.0168% (0.15 1.0 1.00 0.02 0.02) = 0.017% QD1 LEU 90 - HB3 LYS+ 55 1.852% * 0.0163% (0.14 1.0 1.00 0.02 0.02) = 0.016% QD2 LEU 17 - HB3 LYS+ 55 1.852% * 0.0163% (0.14 1.0 1.00 0.02 0.02) = 0.016% QD2 LEU 90 - HB VAL 13 1.852% * 0.0161% (0.14 1.0 1.00 0.02 0.02) = 0.016% QG1 VAL 13 - HB2 LYS+ 108 1.852% * 0.0152% (0.13 1.0 1.00 0.02 0.02) = 0.015% QD1 ILE 29 - HB2 LYS+ 108 1.852% * 0.0152% (0.13 1.0 1.00 0.02 0.02) = 0.015% QG2 ILE 100 - HB3 LYS+ 55 1.852% * 0.0147% (0.13 1.0 1.00 0.02 0.02) = 0.015% QD2 LEU 90 - HB3 LYS+ 55 1.852% * 0.0118% (0.10 1.0 1.00 0.02 0.02) = 0.012% QD2 LEU 17 - HB3 MET 118 1.852% * 0.0066% (0.06 1.0 1.00 0.02 0.02) = 0.007% QD1 LEU 90 - HB3 MET 118 1.852% * 0.0066% (0.06 1.0 1.00 0.02 0.02) = 0.007% QG2 ILE 100 - HB3 MET 118 1.852% * 0.0059% (0.05 1.0 1.00 0.02 0.02) = 0.006% QG2 VAL 13 - HB2 GLU- 75 1.852% * 0.0059% (0.05 1.0 1.00 0.02 0.56) = 0.006% QD1 LEU 90 - HB2 LYS+ 108 1.852% * 0.0059% (0.05 1.0 1.00 0.02 0.02) = 0.006% QD2 LEU 17 - HB2 LYS+ 108 1.852% * 0.0059% (0.05 1.0 1.00 0.02 0.02) = 0.006% HG2 LYS+ 117 - HB2 GLU- 75 1.852% * 0.0058% (0.05 1.0 1.00 0.02 0.02) = 0.006% QG2 ILE 100 - HB2 LYS+ 108 1.852% * 0.0053% (0.05 1.0 1.00 0.02 0.02) = 0.005% QD2 LEU 90 - HB3 MET 118 1.852% * 0.0047% (0.04 1.0 1.00 0.02 0.02) = 0.005% QD2 LEU 90 - HB2 LYS+ 108 1.852% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% QG1 VAL 94 - HB2 GLU- 75 1.852% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% QD1 LEU 90 - HB2 GLU- 75 1.852% * 0.0019% (0.02 1.0 1.00 0.02 0.39) = 0.002% QD2 LEU 17 - HB2 GLU- 75 1.852% * 0.0019% (0.02 1.0 1.00 0.02 0.20) = 0.002% QG2 ILE 100 - HB2 GLU- 75 1.852% * 0.0017% (0.01 1.0 1.00 0.02 0.02) = 0.002% QD2 LEU 90 - HB2 GLU- 75 1.852% * 0.0013% (0.01 1.0 1.00 0.02 0.39) = 0.001% Peak 2028 (7.81, 2.13, 32.54 ppm): 10 chemical-shift based assignments, quality = 0.0686, support = 3.31, residual support = 20.1: * O HN VAL 87 - HB VAL 87 10.000% * 96.3646% (0.07 10.0 3.43 20.87) = 96.365% kept HN ALA 93 - HB3 GLU- 75 10.000% * 2.1446% (0.24 1.0 0.12 0.02) = 2.145% kept HN LYS+ 55 - HB3 GLU- 75 10.000% * 0.3803% (0.26 1.0 0.02 0.02) = 0.380% HN LYS+ 55 - HB VAL 87 10.000% * 0.2545% (0.17 1.0 0.02 0.02) = 0.254% HN ALA 93 - HB VAL 87 10.000% * 0.2303% (0.16 1.0 0.02 0.02) = 0.230% HN LYS+ 63 - HB3 GLU- 75 10.000% * 0.1577% (0.11 1.0 0.02 0.02) = 0.158% HN VAL 87 - HB3 GLU- 75 10.000% * 0.1440% (0.10 1.0 0.02 0.02) = 0.144% HN THR 46 - HB3 GLU- 75 10.000% * 0.1309% (0.09 1.0 0.02 0.02) = 0.131% HN LYS+ 63 - HB VAL 87 10.000% * 0.1056% (0.07 1.0 0.02 0.02) = 0.106% HN THR 46 - HB VAL 87 10.000% * 0.0876% (0.06 1.0 0.02 0.02) = 0.088% Peak 2029 (7.82, 1.78, 32.67 ppm): 8 chemical-shift based assignments, quality = 0.421, support = 3.53, residual support = 20.3: O HN LYS+ 63 - HB3 LYS+ 63 12.500% * 90.1219% (0.42 10.0 3.77 22.47) = 90.122% kept HN LYS+ 55 - HB3 LYS+ 63 12.500% * 8.1061% (0.49 1.0 1.53 0.72) = 8.106% kept HN ALA 93 - HB3 LYS+ 63 12.500% * 1.6055% (0.31 1.0 0.48 0.02) = 1.606% kept HN LYS+ 55 - HB2 LYS+ 117 12.500% * 0.0571% (0.26 1.0 0.02 0.02) = 0.057% HN LYS+ 63 - HB2 LYS+ 117 12.500% * 0.0487% (0.23 1.0 0.02 0.73) = 0.049% HN ALA 93 - HB2 LYS+ 117 12.500% * 0.0361% (0.17 1.0 0.02 0.02) = 0.036% HN VAL 87 - HB3 LYS+ 63 12.500% * 0.0160% (0.07 1.0 0.02 0.02) = 0.016% HN VAL 87 - HB2 LYS+ 117 12.500% * 0.0086% (0.04 1.0 0.02 0.02) = 0.009% Peak 2030 (7.84, 1.79, 32.50 ppm): 3 chemical-shift based assignments, quality = 0.727, support = 3.73, residual support = 22.1: * O HN LYS+ 63 - HB3 LYS+ 63 33.333% * 98.1962% (0.74 10.0 3.77 22.47) = 98.196% kept HN LYS+ 55 - HB3 LYS+ 63 33.333% * 1.7832% (0.17 1.0 1.53 0.72) = 1.783% kept HN THR 38 - HB3 LYS+ 63 33.333% * 0.0206% (0.15 1.0 0.02 0.02) = 0.021% Peak 2031 (4.16, 2.13, 32.58 ppm): 27 chemical-shift based assignments, quality = 0.175, support = 1.59, residual support = 13.4: * O T HA VAL 87 - HB VAL 87 3.704% * 63.3977% (0.20 10.0 10.00 2.21 20.87) = 63.398% kept T HA VAL 73 - HB3 GLU- 75 3.704% * 16.4054% (0.14 1.0 10.00 0.75 0.02) = 16.405% kept T HB3 SER 49 - HB3 GLU- 75 3.704% * 9.8306% (0.23 1.0 10.00 0.26 0.02) = 9.831% kept T HB3 SER 49 - HB2 MET 118 3.704% * 2.8196% (0.03 1.0 10.00 0.64 0.02) = 2.820% kept HB2 SER 88 - HB VAL 87 3.704% * 1.5219% (0.10 1.0 1.00 0.94 11.74) = 1.522% kept T HA VAL 65 - HB3 GLU- 75 3.704% * 1.4567% (0.12 1.0 10.00 0.08 0.02) = 1.457% kept T HA VAL 105 - HB VAL 87 3.704% * 0.7917% (0.25 1.0 10.00 0.02 0.02) = 0.792% T HB3 SER 49 - HB VAL 87 3.704% * 0.7724% (0.24 1.0 10.00 0.02 0.02) = 0.772% T HA VAL 105 - HB3 GLU- 75 3.704% * 0.7694% (0.24 1.0 10.00 0.02 0.02) = 0.769% T HA VAL 87 - HB3 GLU- 75 3.704% * 0.6161% (0.19 1.0 10.00 0.02 0.02) = 0.616% T HA VAL 73 - HB VAL 87 3.704% * 0.4482% (0.14 1.0 10.00 0.02 0.02) = 0.448% T HA VAL 65 - HB VAL 87 3.704% * 0.3854% (0.12 1.0 10.00 0.02 0.02) = 0.385% T HA LYS+ 110 - HB VAL 87 3.704% * 0.1387% (0.04 1.0 10.00 0.02 0.02) = 0.139% T HA LYS+ 110 - HB3 GLU- 75 3.704% * 0.1347% (0.04 1.0 10.00 0.02 0.02) = 0.135% T HA VAL 105 - HB2 MET 118 3.704% * 0.0905% (0.03 1.0 10.00 0.02 0.02) = 0.091% HB THR 106 - HB VAL 87 3.704% * 0.0792% (0.25 1.0 1.00 0.02 0.02) = 0.079% HB THR 106 - HB3 GLU- 75 3.704% * 0.0769% (0.24 1.0 1.00 0.02 0.02) = 0.077% T HA VAL 87 - HB2 MET 118 3.704% * 0.0725% (0.02 1.0 10.00 0.02 0.02) = 0.072% T HA VAL 73 - HB2 MET 118 3.704% * 0.0513% (0.02 1.0 10.00 0.02 0.02) = 0.051% T HA VAL 65 - HB2 MET 118 3.704% * 0.0441% (0.01 1.0 10.00 0.02 0.02) = 0.044% HB2 SER 88 - HB3 GLU- 75 3.704% * 0.0316% (0.10 1.0 1.00 0.02 0.02) = 0.032% HA2 GLY 71 - HB VAL 87 3.704% * 0.0176% (0.06 1.0 1.00 0.02 0.02) = 0.018% HA2 GLY 71 - HB3 GLU- 75 3.704% * 0.0171% (0.05 1.0 1.00 0.02 0.02) = 0.017% T HA LYS+ 110 - HB2 MET 118 3.704% * 0.0159% (0.00 1.0 10.00 0.02 0.02) = 0.016% HB THR 106 - HB2 MET 118 3.704% * 0.0091% (0.03 1.0 1.00 0.02 0.02) = 0.009% HB2 SER 88 - HB2 MET 118 3.704% * 0.0037% (0.01 1.0 1.00 0.02 0.02) = 0.004% HA2 GLY 71 - HB2 MET 118 3.704% * 0.0020% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 2032 (4.09, 1.79, 32.47 ppm): 6 chemical-shift based assignments, quality = 0.699, support = 2.24, residual support = 21.9: * O T HA LYS+ 63 - HB3 LYS+ 63 16.667% * 97.5764% (0.70 10.0 10.00 2.28 22.47) = 97.576% kept HB3 SER 49 - HB3 LYS+ 63 16.667% * 2.1375% (0.61 1.0 1.00 0.50 0.02) = 2.137% kept HA THR 24 - HB3 LYS+ 63 16.667% * 0.1216% (0.88 1.0 1.00 0.02 0.02) = 0.122% HA ALA 70 - HB3 LYS+ 63 16.667% * 0.0931% (0.67 1.0 1.00 0.02 0.02) = 0.093% HA THR 46 - HB3 LYS+ 63 16.667% * 0.0501% (0.36 1.0 1.00 0.02 0.02) = 0.050% HB2 SER 49 - HB3 LYS+ 63 16.667% * 0.0213% (0.15 1.0 1.00 0.02 0.02) = 0.021% Peak 2033 (3.62, 1.89, 32.34 ppm): 2 chemical-shift based assignments, quality = 0.636, support = 3.83, residual support = 39.1: * O HD2 PRO 112 - HB2 PRO 112 50.000% * 99.1592% (0.64 10.0 3.87 39.48) = 99.159% kept HD2 PRO 112 - HB2 PRO 104 50.000% * 0.8408% (0.12 1.0 0.94 3.72) = 0.841% Peak 2034 (2.52, 2.11, 32.58 ppm): 16 chemical-shift based assignments, quality = 0.103, support = 0.541, residual support = 0.257: T HG2 PRO 112 - HB3 GLU- 75 6.250% * 72.9690% (0.09 10.00 0.59 0.30) = 72.969% kept HB3 PRO 59 - HB3 GLU- 75 6.250% * 16.8172% (0.19 1.00 0.66 0.22) = 16.817% kept T HG2 PRO 112 - HB VAL 87 6.250% * 2.8195% (0.10 10.00 0.02 0.02) = 2.820% kept T HG2 PRO 112 - HB2 MET 118 6.250% * 1.2776% (0.05 10.00 0.02 0.02) = 1.278% kept T HG2 PRO 112 - HB2 LYS+ 110 6.250% * 1.1415% (0.04 10.00 0.02 0.02) = 1.142% kept HB2 ASP- 36 - HB VAL 87 6.250% * 0.8839% (0.33 1.00 0.02 0.02) = 0.884% HB2 ASP- 36 - HB3 GLU- 75 6.250% * 0.7791% (0.29 1.00 0.02 0.02) = 0.779% HB3 PRO 59 - HB VAL 87 6.250% * 0.5769% (0.21 1.00 0.02 0.02) = 0.577% HB2 ASP- 115 - HB VAL 87 6.250% * 0.5409% (0.20 1.00 0.02 0.02) = 0.541% HB2 ASP- 115 - HB3 GLU- 75 6.250% * 0.4768% (0.18 1.00 0.02 0.02) = 0.477% HB2 ASP- 36 - HB2 MET 118 6.250% * 0.4005% (0.15 1.00 0.02 0.02) = 0.401% HB2 ASP- 36 - HB2 LYS+ 110 6.250% * 0.3579% (0.13 1.00 0.02 0.02) = 0.358% HB3 PRO 59 - HB2 MET 118 6.250% * 0.2614% (0.10 1.00 0.02 0.02) = 0.261% HB2 ASP- 115 - HB2 MET 118 6.250% * 0.2451% (0.09 1.00 0.02 0.02) = 0.245% HB3 PRO 59 - HB2 LYS+ 110 6.250% * 0.2336% (0.09 1.00 0.02 0.02) = 0.234% HB2 ASP- 115 - HB2 LYS+ 110 6.250% * 0.2190% (0.08 1.00 0.02 0.02) = 0.219% Not enough quality. Peak unassigned. Peak 2035 (2.51, 2.01, 32.43 ppm): 14 chemical-shift based assignments, quality = 0.0926, support = 0.617, residual support = 0.326: HB3 PRO 59 - HB3 GLU- 75 7.143% * 56.4737% (0.13 0.66 0.22) = 56.474% kept * HG2 PRO 112 - HB3 GLU- 75 7.143% * 17.5601% (0.05 0.59 0.30) = 17.560% kept HB VAL 40 - HB3 GLU- 75 7.143% * 17.3977% (0.03 0.80 0.85) = 17.398% kept HB3 PRO 59 - HB2 PRO 86 7.143% * 1.7951% (0.14 0.02 0.02) = 1.795% kept HB2 ASP- 36 - HB2 PRO 86 7.143% * 1.2580% (0.10 0.02 0.02) = 1.258% kept HB2 ASP- 36 - HB3 GLU- 75 7.143% * 1.1966% (0.09 0.02 0.02) = 1.197% kept HG2 PRO 112 - HB2 PRO 86 7.143% * 0.6287% (0.05 0.02 0.02) = 0.629% HG3 MET 118 - HB2 PRO 86 7.143% * 0.6247% (0.05 0.02 0.02) = 0.625% HG3 PRO 35 - HB2 PRO 86 7.143% * 0.6247% (0.05 0.02 0.02) = 0.625% HG3 MET 118 - HB3 GLU- 75 7.143% * 0.5942% (0.05 0.02 0.02) = 0.594% HG3 PRO 35 - HB3 GLU- 75 7.143% * 0.5942% (0.05 0.02 0.02) = 0.594% HB VAL 40 - HB2 PRO 86 7.143% * 0.4567% (0.04 0.02 0.02) = 0.457% HB2 ASP- 115 - HB2 PRO 86 7.143% * 0.4077% (0.03 0.02 0.02) = 0.408% HB2 ASP- 115 - HB3 GLU- 75 7.143% * 0.3878% (0.03 0.02 0.02) = 0.388% Not enough quality. Peak unassigned. Peak 2039 (2.29, 2.29, 32.33 ppm): 5 diagonal assignments: HB3 PRO 116 - HB3 PRO 116 (0.64) kept HB3 PRO 112 - HB3 PRO 112 (0.31) kept HB VAL 80 - HB VAL 80 (0.05) kept HB3 PRO 86 - HB3 PRO 86 (0.03) kept HB3 LYS+ 117 - HB3 LYS+ 117 (0.03) kept Peak 2041 (2.28, 1.89, 32.29 ppm): 30 chemical-shift based assignments, quality = 0.655, support = 3.3, residual support = 39.1: * O HB3 PRO 112 - HB2 PRO 112 3.333% * 49.7241% (0.66 10.0 2.81 39.48) = 49.724% kept O HG2 PRO 112 - HB2 PRO 112 3.333% * 49.3415% (0.66 10.0 3.87 39.48) = 49.342% kept HG2 PRO 112 - HB2 PRO 104 3.333% * 0.5471% (0.15 1.0 1.00 3.72) = 0.547% HB2 LYS+ 44 - HB2 PRO 112 3.333% * 0.0461% (0.62 1.0 0.02 0.27) = 0.046% HG3 GLU- 75 - HB2 PRO 112 3.333% * 0.0446% (0.60 1.0 0.02 0.30) = 0.045% HB3 LYS+ 117 - HB2 PRO 112 3.333% * 0.0446% (0.60 1.0 0.02 0.02) = 0.045% HB VAL 80 - HB2 PRO 112 3.333% * 0.0412% (0.55 1.0 0.02 0.02) = 0.041% HG3 GLU- 54 - HB2 PRO 112 3.333% * 0.0230% (0.31 1.0 0.02 0.12) = 0.023% HG3 GLU- 107 - HB2 PRO 112 3.333% * 0.0193% (0.26 1.0 0.02 0.02) = 0.019% HB3 PRO 116 - HB2 PRO 112 3.333% * 0.0159% (0.21 1.0 0.02 0.02) = 0.016% HG2 GLU- 64 - HB2 PRO 112 3.333% * 0.0128% (0.17 1.0 0.02 0.02) = 0.013% HB3 PRO 112 - HB2 PRO 104 3.333% * 0.0110% (0.15 1.0 0.02 3.72) = 0.011% HB3 PRO 112 - HB3 ARG+ 84 3.333% * 0.0106% (0.14 1.0 0.02 0.02) = 0.011% HG2 PRO 112 - HB3 ARG+ 84 3.333% * 0.0106% (0.14 1.0 0.02 0.02) = 0.011% HB2 LYS+ 44 - HB2 PRO 104 3.333% * 0.0102% (0.14 1.0 0.02 0.02) = 0.010% HG3 GLU- 75 - HB2 PRO 104 3.333% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HB3 LYS+ 117 - HB2 PRO 104 3.333% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HB2 LYS+ 44 - HB3 ARG+ 84 3.333% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HG3 GLU- 75 - HB3 ARG+ 84 3.333% * 0.0095% (0.13 1.0 0.02 0.02) = 0.010% HB3 LYS+ 117 - HB3 ARG+ 84 3.333% * 0.0095% (0.13 1.0 0.02 0.02) = 0.010% HB VAL 80 - HB2 PRO 104 3.333% * 0.0091% (0.12 1.0 0.02 0.02) = 0.009% HB VAL 80 - HB3 ARG+ 84 3.333% * 0.0088% (0.12 1.0 0.02 0.02) = 0.009% HG3 GLU- 54 - HB2 PRO 104 3.333% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% HG3 GLU- 54 - HB3 ARG+ 84 3.333% * 0.0049% (0.07 1.0 0.02 0.02) = 0.005% HG3 GLU- 107 - HB2 PRO 104 3.333% * 0.0043% (0.06 1.0 0.02 0.02) = 0.004% HG3 GLU- 107 - HB3 ARG+ 84 3.333% * 0.0041% (0.06 1.0 0.02 0.02) = 0.004% HB3 PRO 116 - HB2 PRO 104 3.333% * 0.0035% (0.05 1.0 0.02 0.02) = 0.004% HB3 PRO 116 - HB3 ARG+ 84 3.333% * 0.0034% (0.05 1.0 0.02 0.02) = 0.003% HG2 GLU- 64 - HB2 PRO 104 3.333% * 0.0028% (0.04 1.0 0.02 0.02) = 0.003% HG2 GLU- 64 - HB3 ARG+ 84 3.333% * 0.0027% (0.04 1.0 0.02 0.02) = 0.003% Peak 2048 (1.97, 2.29, 32.33 ppm): 65 chemical-shift based assignments, quality = 0.4, support = 3.34, residual support = 24.0: O HG3 PRO 116 - HB3 PRO 116 1.538% * 53.7713% (0.55 10.0 1.00 2.81 17.74) = 53.771% kept * O HG2 PRO 112 - HB3 PRO 112 1.538% * 26.4595% (0.27 10.0 1.00 4.23 39.48) = 26.459% kept O HB2 PRO 86 - HB3 PRO 86 1.538% * 17.9559% (0.18 10.0 1.00 3.97 22.64) = 17.956% kept HB3 GLU- 56 - HB3 PRO 86 1.538% * 0.2186% (0.23 1.0 1.00 0.19 0.02) = 0.219% T HB2 GLU- 75 - HB3 PRO 112 1.538% * 0.1322% (0.14 1.0 10.00 0.02 0.30) = 0.132% HB VAL 73 - HB3 PRO 116 1.538% * 0.0726% (0.74 1.0 1.00 0.02 0.02) = 0.073% HG3 PRO 104 - HB3 PRO 116 1.538% * 0.0700% (0.72 1.0 1.00 0.02 0.02) = 0.070% HB3 GLU- 109 - HB3 PRO 116 1.538% * 0.0642% (0.66 1.0 1.00 0.02 0.02) = 0.064% HB3 GLU- 56 - HB3 PRO 116 1.538% * 0.0642% (0.66 1.0 1.00 0.02 0.02) = 0.064% HB VAL 73 - HB3 PRO 112 1.538% * 0.0582% (0.59 1.0 1.00 0.02 0.41) = 0.058% HB VAL 13 - HB3 PRO 116 1.538% * 0.0566% (0.58 1.0 1.00 0.02 0.02) = 0.057% HG3 PRO 104 - HB3 PRO 112 1.538% * 0.0562% (0.57 1.0 1.00 0.02 3.72) = 0.056% HB3 GLU- 56 - HB3 PRO 112 1.538% * 0.0515% (0.53 1.0 1.00 0.02 0.14) = 0.051% HB3 GLU- 109 - HB3 PRO 112 1.538% * 0.0515% (0.53 1.0 1.00 0.02 0.02) = 0.051% HB2 PRO 86 - HB3 PRO 116 1.538% * 0.0509% (0.52 1.0 1.00 0.02 0.02) = 0.051% HB2 PRO 35 - HB3 PRO 116 1.538% * 0.0479% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB VAL 13 - HB3 PRO 112 1.538% * 0.0454% (0.46 1.0 1.00 0.02 0.02) = 0.045% HG3 PRO 116 - HB3 PRO 112 1.538% * 0.0431% (0.44 1.0 1.00 0.02 0.02) = 0.043% HB2 PRO 86 - HB3 PRO 112 1.538% * 0.0408% (0.42 1.0 1.00 0.02 0.02) = 0.041% HB2 PRO 35 - HB3 PRO 112 1.538% * 0.0384% (0.39 1.0 1.00 0.02 1.64) = 0.038% T HB2 GLU- 75 - HB VAL 80 1.538% * 0.0376% (0.04 1.0 10.00 0.02 0.02) = 0.038% HB2 LYS+ 108 - HB3 PRO 116 1.538% * 0.0360% (0.37 1.0 1.00 0.02 0.02) = 0.036% HG2 PRO 112 - HB3 PRO 116 1.538% * 0.0330% (0.34 1.0 1.00 0.02 0.02) = 0.033% HG3 PRO 31 - HB3 PRO 116 1.538% * 0.0304% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB2 LYS+ 108 - HB3 PRO 112 1.538% * 0.0289% (0.30 1.0 1.00 0.02 0.02) = 0.029% HB3 LYS+ 55 - HB3 PRO 116 1.538% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB VAL 73 - HB3 PRO 86 1.538% * 0.0256% (0.26 1.0 1.00 0.02 0.02) = 0.026% HG3 PRO 104 - HB3 PRO 86 1.538% * 0.0247% (0.25 1.0 1.00 0.02 0.02) = 0.025% HG3 PRO 31 - HB3 PRO 112 1.538% * 0.0244% (0.25 1.0 1.00 0.02 0.02) = 0.024% HB3 GLU- 109 - HB3 PRO 86 1.538% * 0.0227% (0.23 1.0 1.00 0.02 0.02) = 0.023% HB3 LYS+ 55 - HB3 PRO 112 1.538% * 0.0223% (0.23 1.0 1.00 0.02 0.68) = 0.022% HB VAL 13 - HB3 PRO 86 1.538% * 0.0200% (0.20 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 116 - HB3 PRO 86 1.538% * 0.0190% (0.19 1.0 1.00 0.02 0.02) = 0.019% HB2 PRO 35 - HB3 PRO 86 1.538% * 0.0169% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB VAL 73 - HB VAL 80 1.538% * 0.0166% (0.17 1.0 1.00 0.02 0.57) = 0.017% HB2 GLU- 75 - HB3 PRO 116 1.538% * 0.0165% (0.17 1.0 1.00 0.02 0.02) = 0.016% T HB2 GLU- 75 - HB3 LYS+ 117 1.538% * 0.0162% (0.02 1.0 10.00 0.02 0.02) = 0.016% HG3 PRO 104 - HB VAL 80 1.538% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 56 - HB VAL 80 1.538% * 0.0147% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 109 - HB VAL 80 1.538% * 0.0147% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB VAL 13 - HB VAL 80 1.538% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB2 LYS+ 108 - HB3 PRO 86 1.538% * 0.0127% (0.13 1.0 1.00 0.02 0.02) = 0.013% HG3 PRO 116 - HB VAL 80 1.538% * 0.0123% (0.13 1.0 1.00 0.02 0.02) = 0.012% HG2 PRO 112 - HB3 PRO 86 1.538% * 0.0116% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB2 PRO 86 - HB VAL 80 1.538% * 0.0116% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB2 PRO 35 - HB VAL 80 1.538% * 0.0109% (0.11 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 31 - HB3 PRO 86 1.538% * 0.0107% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB3 LYS+ 55 - HB3 PRO 86 1.538% * 0.0098% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 108 - HB VAL 80 1.538% * 0.0082% (0.08 1.0 1.00 0.02 0.02) = 0.008% HG2 PRO 112 - HB VAL 80 1.538% * 0.0075% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB VAL 73 - HB3 LYS+ 117 1.538% * 0.0071% (0.07 1.0 1.00 0.02 0.13) = 0.007% HG3 PRO 31 - HB VAL 80 1.538% * 0.0069% (0.07 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 104 - HB3 LYS+ 117 1.538% * 0.0069% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 55 - HB VAL 80 1.538% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 GLU- 56 - HB3 LYS+ 117 1.538% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 GLU- 109 - HB3 LYS+ 117 1.538% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 GLU- 75 - HB3 PRO 86 1.538% * 0.0058% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB VAL 13 - HB3 LYS+ 117 1.538% * 0.0055% (0.06 1.0 1.00 0.02 0.02) = 0.006% HG3 PRO 116 - HB3 LYS+ 117 1.538% * 0.0053% (0.05 1.0 1.00 0.02 3.61) = 0.005% HB2 PRO 86 - HB3 LYS+ 117 1.538% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB2 PRO 35 - HB3 LYS+ 117 1.538% * 0.0047% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB2 LYS+ 108 - HB3 LYS+ 117 1.538% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG2 PRO 112 - HB3 LYS+ 117 1.538% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 31 - HB3 LYS+ 117 1.538% * 0.0030% (0.03 1.0 1.00 0.02 0.14) = 0.003% HB3 LYS+ 55 - HB3 LYS+ 117 1.538% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 2049 (1.78, 1.78, 32.51 ppm): 1 diagonal assignment: HB3 LYS+ 63 - HB3 LYS+ 63 (0.27) kept Reference assignment not found: HB3 LYS+ 55 - HB3 LYS+ 55 Peak 2053 (1.81, 1.81, 32.63 ppm): 2 diagonal assignments: * HB3 LYS+ 63 - HB3 LYS+ 63 (0.67) kept HB2 PRO 59 - HB2 PRO 59 (0.09) kept Peak 2054 (1.79, 1.95, 32.54 ppm): 55 chemical-shift based assignments, quality = 0.586, support = 0.509, residual support = 0.182: T HG3 LYS+ 63 - HB2 PRO 116 1.818% * 39.7323% (0.66 10.00 0.44 0.25) = 39.732% kept T HG2 PRO 31 - HB2 PRO 116 1.818% * 31.2481% (0.67 10.00 0.34 0.02) = 31.248% kept HB3 LYS+ 63 - HB2 PRO 116 1.818% * 12.1139% (0.64 1.00 1.37 0.25) = 12.114% kept HB3 LYS+ 63 - HB3 LYS+ 55 1.818% * 5.3358% (0.37 1.00 1.05 0.72) = 5.336% kept T HG2 PRO 31 - HB2 PRO 86 1.818% * 1.6787% (0.05 10.00 0.27 0.02) = 1.679% kept T HG2 PRO 31 - HB3 LYS+ 55 1.818% * 1.0585% (0.39 10.00 0.02 0.02) = 1.058% kept T HG3 LYS+ 63 - HB3 LYS+ 55 1.818% * 1.0375% (0.38 10.00 0.02 0.72) = 1.038% kept T HG2 PRO 31 - HB2 PRO 35 1.818% * 1.0311% (0.38 10.00 0.02 0.02) = 1.031% kept T HG3 LYS+ 63 - HB2 PRO 35 1.818% * 1.0106% (0.37 10.00 0.02 0.02) = 1.011% kept HG2 ARG+ 84 - HB2 PRO 35 1.818% * 0.9186% (0.24 1.00 0.28 0.02) = 0.919% HB3 GLU- 18 - HB2 GLU- 75 1.818% * 0.8538% (0.17 1.00 0.36 0.02) = 0.854% T HG2 PRO 31 - HB2 GLU- 75 1.818% * 0.8096% (0.30 10.00 0.02 0.02) = 0.810% T HG3 LYS+ 63 - HB2 GLU- 75 1.818% * 0.7936% (0.29 10.00 0.02 0.02) = 0.794% HB3 LYS+ 108 - HB2 PRO 116 1.818% * 0.1764% (0.64 1.00 0.02 0.02) = 0.176% HG3 ARG+ 53 - HB2 PRO 116 1.818% * 0.1596% (0.58 1.00 0.02 0.02) = 0.160% HB2 ARG+ 84 - HB2 PRO 116 1.818% * 0.1236% (0.45 1.00 0.02 0.02) = 0.124% T HG3 LYS+ 63 - HB2 PRO 86 1.818% * 0.1220% (0.04 10.00 0.02 0.02) = 0.122% HG2 ARG+ 84 - HB2 PRO 116 1.818% * 0.1159% (0.42 1.00 0.02 0.02) = 0.116% HB3 GLU- 18 - HB2 PRO 116 1.818% * 0.1082% (0.39 1.00 0.02 0.02) = 0.108% HB3 LYS+ 108 - HB3 LYS+ 55 1.818% * 0.1012% (0.37 1.00 0.02 0.02) = 0.101% HB3 LYS+ 108 - HB2 PRO 35 1.818% * 0.0986% (0.36 1.00 0.02 0.02) = 0.099% HB3 LYS+ 63 - HB2 PRO 35 1.818% * 0.0986% (0.36 1.00 0.02 0.02) = 0.099% HG3 ARG+ 53 - HB3 LYS+ 55 1.818% * 0.0916% (0.33 1.00 0.02 0.34) = 0.092% HG3 ARG+ 53 - HB2 PRO 35 1.818% * 0.0892% (0.33 1.00 0.02 0.02) = 0.089% HB3 LYS+ 63 - HB2 GLU- 75 1.818% * 0.0774% (0.28 1.00 0.02 0.02) = 0.077% HB3 LYS+ 108 - HB2 GLU- 75 1.818% * 0.0774% (0.28 1.00 0.02 0.02) = 0.077% HB2 ARG+ 84 - HB3 LYS+ 55 1.818% * 0.0710% (0.26 1.00 0.02 0.02) = 0.071% HG3 ARG+ 53 - HB2 GLU- 75 1.818% * 0.0701% (0.26 1.00 0.02 0.02) = 0.070% HB2 ARG+ 84 - HB2 PRO 35 1.818% * 0.0691% (0.25 1.00 0.02 0.02) = 0.069% HG2 ARG+ 84 - HB3 LYS+ 55 1.818% * 0.0665% (0.24 1.00 0.02 0.02) = 0.067% HB2 GLU- 109 - HB2 PRO 116 1.818% * 0.0652% (0.24 1.00 0.02 0.02) = 0.065% HB3 GLU- 18 - HB3 LYS+ 55 1.818% * 0.0621% (0.23 1.00 0.02 0.02) = 0.062% HB3 GLU- 18 - HB2 PRO 35 1.818% * 0.0605% (0.22 1.00 0.02 0.02) = 0.060% HB2 ARG+ 84 - HB2 GLU- 75 1.818% * 0.0543% (0.20 1.00 0.02 0.02) = 0.054% HG2 ARG+ 84 - HB2 GLU- 75 1.818% * 0.0509% (0.19 1.00 0.02 0.02) = 0.051% HD3 LYS+ 72 - HB2 PRO 116 1.818% * 0.0476% (0.17 1.00 0.02 0.02) = 0.048% HB2 GLU- 109 - HB3 LYS+ 55 1.818% * 0.0374% (0.14 1.00 0.02 0.02) = 0.037% HB2 GLU- 109 - HB2 PRO 35 1.818% * 0.0364% (0.13 1.00 0.02 0.02) = 0.036% HG3 LYS+ 108 - HB2 PRO 116 1.818% * 0.0295% (0.11 1.00 0.02 0.02) = 0.029% HB2 GLU- 109 - HB2 GLU- 75 1.818% * 0.0286% (0.10 1.00 0.02 0.02) = 0.029% HD3 LYS+ 72 - HB3 LYS+ 55 1.818% * 0.0273% (0.10 1.00 0.02 0.02) = 0.027% HD3 LYS+ 72 - HB2 PRO 35 1.818% * 0.0266% (0.10 1.00 0.02 0.02) = 0.027% HD3 LYS+ 72 - HB2 GLU- 75 1.818% * 0.0209% (0.08 1.00 0.02 0.02) = 0.021% HG3 LYS+ 108 - HB3 LYS+ 55 1.818% * 0.0169% (0.06 1.00 0.02 0.02) = 0.017% HG3 LYS+ 108 - HB2 PRO 35 1.818% * 0.0165% (0.06 1.00 0.02 0.02) = 0.016% HG3 LYS+ 108 - HB2 GLU- 75 1.818% * 0.0129% (0.05 1.00 0.02 0.02) = 0.013% HB3 LYS+ 63 - HB2 PRO 86 1.818% * 0.0119% (0.04 1.00 0.02 0.02) = 0.012% HB3 LYS+ 108 - HB2 PRO 86 1.818% * 0.0119% (0.04 1.00 0.02 0.02) = 0.012% HG3 ARG+ 53 - HB2 PRO 86 1.818% * 0.0108% (0.04 1.00 0.02 0.02) = 0.011% HB2 ARG+ 84 - HB2 PRO 86 1.818% * 0.0083% (0.03 1.00 0.02 0.02) = 0.008% HG2 ARG+ 84 - HB2 PRO 86 1.818% * 0.0078% (0.03 1.00 0.02 0.02) = 0.008% HB3 GLU- 18 - HB2 PRO 86 1.818% * 0.0073% (0.03 1.00 0.02 0.02) = 0.007% HB2 GLU- 109 - HB2 PRO 86 1.818% * 0.0044% (0.02 1.00 0.02 0.02) = 0.004% HD3 LYS+ 72 - HB2 PRO 86 1.818% * 0.0032% (0.01 1.00 0.02 0.02) = 0.003% HG3 LYS+ 108 - HB2 PRO 86 1.818% * 0.0020% (0.01 1.00 0.02 0.02) = 0.002% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2055 (1.56, 1.96, 32.49 ppm): 45 chemical-shift based assignments, quality = 0.204, support = 0.601, residual support = 0.161: T HG LEU 17 - HB2 GLU- 75 2.222% * 55.1074% (0.20 10.00 0.75 0.20) = 55.107% kept HB3 LEU 90 - HB2 GLU- 75 2.222% * 9.0803% (0.26 1.00 0.95 0.39) = 9.080% kept T HG LEU 17 - HB2 PRO 35 2.222% * 5.8600% (0.21 10.00 0.08 0.02) = 5.860% kept QB ALA 42 - HB2 GLU- 75 2.222% * 4.8796% (0.26 1.00 0.51 0.02) = 4.880% kept HB ILE 19 - HB2 PRO 35 2.222% * 4.8686% (0.20 1.00 0.67 0.02) = 4.869% kept HD3 LYS+ 60 - HB2 GLU- 75 2.222% * 4.3515% (0.22 1.00 0.54 0.18) = 4.351% kept HD3 LYS+ 60 - HB3 LYS+ 55 2.222% * 2.7226% (0.20 1.00 0.37 0.02) = 2.723% kept T HG LEU 17 - HB2 PRO 116 2.222% * 2.7163% (0.37 10.00 0.02 0.02) = 2.716% kept HB ILE 19 - HB2 PRO 116 2.222% * 2.6345% (0.35 1.00 0.20 0.02) = 2.634% kept T HG LEU 17 - HB3 LYS+ 55 2.222% * 1.3489% (0.18 10.00 0.02 0.02) = 1.349% kept HG12 ILE 29 - HB2 PRO 116 2.222% * 0.3554% (0.48 1.00 0.02 0.02) = 0.355% QB ALA 42 - HB2 PRO 116 2.222% * 0.3554% (0.48 1.00 0.02 0.02) = 0.355% HB3 LEU 90 - HB2 PRO 116 2.222% * 0.3523% (0.48 1.00 0.02 0.02) = 0.352% HG13 ILE 29 - HB2 PRO 116 2.222% * 0.3362% (0.46 1.00 0.02 0.02) = 0.336% HD3 LYS+ 81 - HB2 PRO 116 2.222% * 0.3188% (0.43 1.00 0.02 0.02) = 0.319% QG2 THR 24 - HB2 PRO 116 2.222% * 0.3083% (0.42 1.00 0.02 0.02) = 0.308% HD3 LYS+ 60 - HB2 PRO 116 2.222% * 0.2969% (0.40 1.00 0.02 0.02) = 0.297% QB ALA 42 - HB2 PRO 35 2.222% * 0.2013% (0.27 1.00 0.02 0.02) = 0.201% HG12 ILE 29 - HB2 PRO 35 2.222% * 0.2013% (0.27 1.00 0.02 0.02) = 0.201% HB3 LEU 90 - HB2 PRO 35 2.222% * 0.1995% (0.27 1.00 0.02 0.02) = 0.199% HG12 ILE 29 - HB2 GLU- 75 2.222% * 0.1923% (0.26 1.00 0.02 0.02) = 0.192% HG13 ILE 29 - HB2 PRO 35 2.222% * 0.1904% (0.26 1.00 0.02 0.02) = 0.190% HG13 ILE 29 - HB2 GLU- 75 2.222% * 0.1819% (0.25 1.00 0.02 0.02) = 0.182% HD3 LYS+ 81 - HB2 PRO 35 2.222% * 0.1805% (0.24 1.00 0.02 0.02) = 0.180% QB ALA 42 - HB3 LYS+ 55 2.222% * 0.1765% (0.24 1.00 0.02 0.02) = 0.177% HG12 ILE 29 - HB3 LYS+ 55 2.222% * 0.1765% (0.24 1.00 0.02 0.02) = 0.177% HB3 LEU 90 - HB3 LYS+ 55 2.222% * 0.1749% (0.24 1.00 0.02 0.02) = 0.175% QG2 THR 24 - HB2 PRO 35 2.222% * 0.1746% (0.24 1.00 0.02 0.02) = 0.175% HD3 LYS+ 81 - HB2 GLU- 75 2.222% * 0.1725% (0.23 1.00 0.02 0.02) = 0.172% HD3 LYS+ 60 - HB2 PRO 35 2.222% * 0.1681% (0.23 1.00 0.02 0.02) = 0.168% HG13 ILE 29 - HB3 LYS+ 55 2.222% * 0.1670% (0.23 1.00 0.02 0.02) = 0.167% QG2 THR 24 - HB2 GLU- 75 2.222% * 0.1668% (0.23 1.00 0.02 0.02) = 0.167% HD3 LYS+ 81 - HB3 LYS+ 55 2.222% * 0.1583% (0.21 1.00 0.02 0.02) = 0.158% QG2 THR 24 - HB3 LYS+ 55 2.222% * 0.1531% (0.21 1.00 0.02 0.02) = 0.153% HB ILE 19 - HB2 GLU- 75 2.222% * 0.1396% (0.19 1.00 0.02 0.02) = 0.140% HB ILE 19 - HB3 LYS+ 55 2.222% * 0.1282% (0.17 1.00 0.02 0.02) = 0.128% HG12 ILE 29 - HB2 PRO 86 2.222% * 0.1002% (0.14 1.00 0.02 0.02) = 0.100% QB ALA 42 - HB2 PRO 86 2.222% * 0.1002% (0.14 1.00 0.02 0.02) = 0.100% HB3 LEU 90 - HB2 PRO 86 2.222% * 0.0993% (0.13 1.00 0.02 0.02) = 0.099% HG13 ILE 29 - HB2 PRO 86 2.222% * 0.0947% (0.13 1.00 0.02 0.02) = 0.095% HD3 LYS+ 81 - HB2 PRO 86 2.222% * 0.0898% (0.12 1.00 0.02 0.02) = 0.090% QG2 THR 24 - HB2 PRO 86 2.222% * 0.0869% (0.12 1.00 0.02 0.02) = 0.087% HD3 LYS+ 60 - HB2 PRO 86 2.222% * 0.0837% (0.11 1.00 0.02 0.02) = 0.084% HG LEU 17 - HB2 PRO 86 2.222% * 0.0765% (0.10 1.00 0.02 0.02) = 0.077% HB ILE 19 - HB2 PRO 86 2.222% * 0.0727% (0.10 1.00 0.02 0.02) = 0.073% Peak 2056 (1.44, 1.44, 32.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2057 (1.44, 1.78, 32.55 ppm): 26 chemical-shift based assignments, quality = 0.463, support = 1.01, residual support = 0.969: HG3 LYS+ 55 - HB3 LYS+ 63 3.846% * 31.1824% (0.57 1.32 0.72) = 31.182% kept HD3 LYS+ 113 - HB3 LYS+ 63 3.846% * 21.1017% (0.55 0.92 1.30) = 21.102% kept HG3 LYS+ 60 - HB3 LYS+ 63 3.846% * 20.1392% (0.33 1.45 1.04) = 20.139% kept HG3 LYS+ 113 - HB3 LYS+ 63 3.846% * 11.4380% (0.60 0.46 1.30) = 11.438% kept HD3 LYS+ 44 - HB3 LYS+ 63 3.846% * 5.0768% (0.36 0.34 1.25) = 5.077% kept HG3 PRO 52 - HB3 LYS+ 63 3.846% * 4.1073% (0.11 0.89 1.22) = 4.107% kept HG2 PRO 59 - HB3 LYS+ 63 3.846% * 2.7605% (0.33 0.20 0.02) = 2.761% kept HG3 LYS+ 55 - HB2 LYS+ 117 3.846% * 0.7926% (0.20 0.10 0.02) = 0.793% HG LEU 90 - HB3 LYS+ 63 3.846% * 0.5256% (0.63 0.02 0.02) = 0.526% HG3 ARG+ 22 - HB3 LYS+ 63 3.846% * 0.4724% (0.57 0.02 0.02) = 0.472% QG2 THR 38 - HB3 LYS+ 63 3.846% * 0.4026% (0.49 0.02 0.02) = 0.403% QB ALA 91 - HB3 LYS+ 63 3.846% * 0.3618% (0.44 0.02 0.02) = 0.362% HG LEU 90 - HB2 LYS+ 117 3.846% * 0.1805% (0.22 0.02 0.02) = 0.180% HG13 ILE 48 - HB3 LYS+ 63 3.846% * 0.1797% (0.22 0.02 0.02) = 0.180% HG3 LYS+ 113 - HB2 LYS+ 117 3.846% * 0.1711% (0.21 0.02 0.02) = 0.171% HG3 ARG+ 22 - HB2 LYS+ 117 3.846% * 0.1622% (0.20 0.02 0.02) = 0.162% HD3 LYS+ 113 - HB2 LYS+ 117 3.846% * 0.1569% (0.19 0.02 0.02) = 0.157% QG2 THR 38 - HB2 LYS+ 117 3.846% * 0.1382% (0.17 0.02 0.40) = 0.138% QB ALA 91 - HB2 LYS+ 117 3.846% * 0.1242% (0.15 0.02 0.02) = 0.124% QB ALA 37 - HB3 LYS+ 63 3.846% * 0.1042% (0.13 0.02 0.02) = 0.104% HD3 LYS+ 44 - HB2 LYS+ 117 3.846% * 0.1024% (0.12 0.02 0.02) = 0.102% HG2 PRO 59 - HB2 LYS+ 117 3.846% * 0.0952% (0.11 0.02 0.02) = 0.095% HG3 LYS+ 60 - HB2 LYS+ 117 3.846% * 0.0952% (0.11 0.02 0.02) = 0.095% HG13 ILE 48 - HB2 LYS+ 117 3.846% * 0.0617% (0.07 0.02 0.02) = 0.062% QB ALA 37 - HB2 LYS+ 117 3.846% * 0.0358% (0.04 0.02 0.02) = 0.036% HG3 PRO 52 - HB2 LYS+ 117 3.846% * 0.0317% (0.04 0.02 0.02) = 0.032% Reference assignment not found: HG3 LYS+ 55 - HB3 LYS+ 55 Peak 2058 (1.37, 1.95, 32.55 ppm): 40 chemical-shift based assignments, quality = 0.485, support = 0.272, residual support = 0.249: T HB3 LYS+ 20 - HB2 PRO 116 2.500% * 76.7945% (0.57 10.00 0.31 0.31) = 76.794% kept T HB3 LYS+ 20 - HB2 PRO 35 2.500% * 3.6237% (0.42 10.00 0.02 0.02) = 3.624% kept T HB3 LYS+ 20 - HB3 LYS+ 55 2.500% * 3.4686% (0.40 10.00 0.02 0.02) = 3.469% kept HG13 ILE 68 - HB2 PRO 35 2.500% * 3.2846% (0.22 1.00 0.34 0.02) = 3.285% kept HD3 LYS+ 20 - HB2 PRO 116 2.500% * 2.7968% (0.10 1.00 0.65 0.31) = 2.797% kept T HB3 LYS+ 20 - HB2 GLU- 75 2.500% * 2.3350% (0.27 10.00 0.02 0.02) = 2.335% kept QB ALA 11 - HB2 PRO 116 2.500% * 0.4937% (0.58 1.00 0.02 0.02) = 0.494% HD3 LYS+ 20 - HB2 PRO 35 2.500% * 0.4814% (0.07 1.00 0.15 0.02) = 0.481% HB3 LEU 17 - HB2 PRO 116 2.500% * 0.4437% (0.52 1.00 0.02 0.02) = 0.444% HG2 LYS+ 78 - HB2 PRO 116 2.500% * 0.4437% (0.52 1.00 0.02 0.02) = 0.444% HG3 LYS+ 81 - HB2 PRO 116 2.500% * 0.3962% (0.46 1.00 0.02 0.02) = 0.396% QB ALA 11 - HB2 PRO 35 2.500% * 0.3648% (0.43 1.00 0.02 0.02) = 0.365% QG2 THR 39 - HB2 PRO 116 2.500% * 0.3593% (0.42 1.00 0.02 0.02) = 0.359% QB ALA 11 - HB3 LYS+ 55 2.500% * 0.3492% (0.41 1.00 0.02 0.02) = 0.349% HB3 LEU 17 - HB2 PRO 35 2.500% * 0.3279% (0.38 1.00 0.02 0.02) = 0.328% HG2 LYS+ 78 - HB2 PRO 35 2.500% * 0.3279% (0.38 1.00 0.02 0.02) = 0.328% HB3 LEU 17 - HB3 LYS+ 55 2.500% * 0.3139% (0.37 1.00 0.02 0.02) = 0.314% HG2 LYS+ 78 - HB3 LYS+ 55 2.500% * 0.3139% (0.37 1.00 0.02 0.02) = 0.314% HG3 LYS+ 81 - HB2 PRO 35 2.500% * 0.2928% (0.34 1.00 0.02 0.02) = 0.293% HG3 LYS+ 81 - HB3 LYS+ 55 2.500% * 0.2802% (0.33 1.00 0.02 0.02) = 0.280% QG2 THR 39 - HB2 PRO 35 2.500% * 0.2655% (0.31 1.00 0.02 0.02) = 0.265% HG13 ILE 68 - HB2 PRO 116 2.500% * 0.2603% (0.30 1.00 0.02 0.02) = 0.260% QG2 THR 39 - HB3 LYS+ 55 2.500% * 0.2541% (0.30 1.00 0.02 0.02) = 0.254% QB ALA 11 - HB2 GLU- 75 2.500% * 0.2351% (0.27 1.00 0.02 0.02) = 0.235% HB3 LEU 17 - HB2 GLU- 75 2.500% * 0.2113% (0.25 1.00 0.02 0.20) = 0.211% HG2 LYS+ 78 - HB2 GLU- 75 2.500% * 0.2113% (0.25 1.00 0.02 0.02) = 0.211% HG3 LYS+ 81 - HB2 GLU- 75 2.500% * 0.1886% (0.22 1.00 0.02 0.02) = 0.189% HG13 ILE 68 - HB3 LYS+ 55 2.500% * 0.1841% (0.21 1.00 0.02 0.02) = 0.184% QG2 THR 39 - HB2 GLU- 75 2.500% * 0.1711% (0.20 1.00 0.02 0.02) = 0.171% HG13 ILE 68 - HB2 GLU- 75 2.500% * 0.1239% (0.14 1.00 0.02 0.02) = 0.124% HD3 LYS+ 20 - HB3 LYS+ 55 2.500% * 0.0613% (0.07 1.00 0.02 0.02) = 0.061% QB ALA 11 - HB2 PRO 86 2.500% * 0.0499% (0.06 1.00 0.02 0.11) = 0.050% HB3 LYS+ 20 - HB2 PRO 86 2.500% * 0.0496% (0.06 1.00 0.02 0.02) = 0.050% HB3 LEU 17 - HB2 PRO 86 2.500% * 0.0448% (0.05 1.00 0.02 0.02) = 0.045% HG2 LYS+ 78 - HB2 PRO 86 2.500% * 0.0448% (0.05 1.00 0.02 0.02) = 0.045% HD3 LYS+ 20 - HB2 GLU- 75 2.500% * 0.0413% (0.05 1.00 0.02 0.02) = 0.041% HG3 LYS+ 81 - HB2 PRO 86 2.500% * 0.0400% (0.05 1.00 0.02 0.02) = 0.040% QG2 THR 39 - HB2 PRO 86 2.500% * 0.0363% (0.04 1.00 0.02 0.02) = 0.036% HG13 ILE 68 - HB2 PRO 86 2.500% * 0.0263% (0.03 1.00 0.02 0.02) = 0.026% HD3 LYS+ 20 - HB2 PRO 86 2.500% * 0.0088% (0.01 1.00 0.02 0.02) = 0.009% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 2059 (1.15, 1.90, 32.60 ppm): 21 chemical-shift based assignments, quality = 0.12, support = 0.921, residual support = 4.9: HD3 LYS+ 111 - HB2 PRO 112 4.762% * 47.6084% (0.12 0.71 0.17) = 47.608% kept HB2 LEU 74 - HB2 GLU- 75 4.762% * 17.2363% (0.01 3.27 27.89) = 17.236% kept HG3 LYS+ 32 - HB2 PRO 116 4.762% * 6.7813% (0.10 0.13 0.02) = 6.781% kept QB ALA 33 - HB2 PRO 112 4.762% * 4.0024% (0.36 0.02 0.02) = 4.002% kept HG3 PRO 59 - HB2 PRO 112 4.762% * 3.6216% (0.33 0.02 0.02) = 3.622% kept HG3 PRO 59 - HB2 GLU- 75 4.762% * 3.1907% (0.04 0.16 0.22) = 3.191% kept HB2 LEU 43 - HB2 PRO 112 4.762% * 2.6298% (0.24 0.02 0.02) = 2.630% kept QB ALA 33 - HB2 PRO 116 4.762% * 2.3950% (0.22 0.02 0.02) = 2.395% kept HG3 PRO 59 - HB2 PRO 116 4.762% * 2.1671% (0.20 0.02 0.02) = 2.167% kept QG2 THR 106 - HB2 PRO 112 4.762% * 2.1105% (0.19 0.02 0.02) = 2.110% kept HG3 LYS+ 32 - HB2 PRO 112 4.762% * 1.7825% (0.16 0.02 0.02) = 1.782% kept HB2 LEU 43 - HB2 PRO 116 4.762% * 1.5737% (0.14 0.02 0.02) = 1.574% kept QG2 THR 106 - HB2 PRO 116 4.762% * 1.2629% (0.12 0.02 0.02) = 1.263% kept HB2 LEU 74 - HB2 PRO 112 4.762% * 0.9653% (0.09 0.02 0.48) = 0.965% HD3 LYS+ 111 - HB2 PRO 116 4.762% * 0.8008% (0.07 0.02 0.02) = 0.801% HB2 LEU 74 - HB2 PRO 116 4.762% * 0.5776% (0.05 0.02 0.02) = 0.578% QB ALA 33 - HB2 GLU- 75 4.762% * 0.4366% (0.04 0.02 0.02) = 0.437% HB2 LEU 43 - HB2 GLU- 75 4.762% * 0.2869% (0.03 0.02 0.02) = 0.287% QG2 THR 106 - HB2 GLU- 75 4.762% * 0.2302% (0.02 0.02 0.02) = 0.230% HG3 LYS+ 32 - HB2 GLU- 75 4.762% * 0.1944% (0.02 0.02 0.02) = 0.194% HD3 LYS+ 111 - HB2 GLU- 75 4.762% * 0.1460% (0.01 0.02 0.02) = 0.146% Peak 2060 (0.92, 2.13, 32.57 ppm): 42 chemical-shift based assignments, quality = 0.0861, support = 1.9, residual support = 13.4: * O QG2 VAL 87 - HB VAL 87 2.381% * 63.8482% (0.07 10.0 2.42 20.87) = 63.848% kept HG12 ILE 68 - HB3 GLU- 75 2.381% * 7.6880% (0.24 1.0 0.67 0.02) = 7.688% kept QD1 LEU 67 - HB3 GLU- 75 2.381% * 7.5085% (0.10 1.0 1.55 0.26) = 7.509% kept QG2 VAL 40 - HB3 GLU- 75 2.381% * 6.7404% (0.07 1.0 2.06 0.85) = 6.740% kept QG1 VAL 47 - HB3 GLU- 75 2.381% * 3.7601% (0.08 1.0 0.94 0.02) = 3.760% kept HG3 LYS+ 117 - HB3 GLU- 75 2.381% * 2.3272% (0.12 1.0 0.41 0.02) = 2.327% kept HG3 LYS+ 117 - HB VAL 87 2.381% * 1.6554% (0.12 1.0 0.30 0.02) = 1.655% kept QG2 VAL 80 - HB3 GLU- 75 2.381% * 1.0260% (0.25 1.0 0.09 0.02) = 1.026% kept QD1 LEU 17 - HB3 GLU- 75 2.381% * 1.0237% (0.19 1.0 0.11 0.20) = 1.024% kept QG2 VAL 73 - HB3 GLU- 75 2.381% * 0.8385% (0.07 1.0 0.26 0.02) = 0.839% QD1 LEU 67 - HB VAL 87 2.381% * 0.8239% (0.10 1.0 0.17 0.02) = 0.824% QG2 VAL 40 - HB VAL 87 2.381% * 0.2417% (0.07 1.0 0.08 0.02) = 0.242% HG3 LYS+ 110 - HB3 GLU- 75 2.381% * 0.2351% (0.25 1.0 0.02 0.02) = 0.235% HG3 LYS+ 110 - HB VAL 87 2.381% * 0.2291% (0.24 1.0 0.02 0.02) = 0.229% QG2 VAL 80 - HB VAL 87 2.381% * 0.2276% (0.24 1.0 0.02 0.02) = 0.228% HG12 ILE 68 - HB VAL 87 2.381% * 0.2251% (0.24 1.0 0.02 0.02) = 0.225% QG2 VAL 105 - HB3 GLU- 75 2.381% * 0.1887% (0.20 1.0 0.02 0.02) = 0.189% QG2 VAL 105 - HB VAL 87 2.381% * 0.1839% (0.19 1.0 0.02 0.02) = 0.184% QD1 LEU 17 - HB VAL 87 2.381% * 0.1755% (0.18 1.0 0.02 0.02) = 0.175% QG1 VAL 105 - HB3 GLU- 75 2.381% * 0.1711% (0.18 1.0 0.02 0.02) = 0.171% QG1 VAL 105 - HB VAL 87 2.381% * 0.1668% (0.18 1.0 0.02 0.02) = 0.167% QG2 VAL 62 - HB3 GLU- 75 2.381% * 0.0884% (0.09 1.0 0.02 0.02) = 0.088% QG2 VAL 62 - HB VAL 87 2.381% * 0.0862% (0.09 1.0 0.02 0.02) = 0.086% QG1 VAL 47 - HB VAL 87 2.381% * 0.0783% (0.08 1.0 0.02 0.02) = 0.078% QG2 VAL 87 - HB3 GLU- 75 2.381% * 0.0655% (0.07 1.0 0.02 0.02) = 0.066% QG2 VAL 73 - HB VAL 87 2.381% * 0.0638% (0.07 1.0 0.02 0.02) = 0.064% QG2 ILE 29 - HB3 GLU- 75 2.381% * 0.0588% (0.06 1.0 0.02 0.02) = 0.059% QG2 ILE 29 - HB VAL 87 2.381% * 0.0573% (0.06 1.0 0.02 0.02) = 0.057% HG3 LYS+ 110 - HB2 MET 118 2.381% * 0.0272% (0.03 1.0 0.02 0.02) = 0.027% QG2 VAL 80 - HB2 MET 118 2.381% * 0.0270% (0.03 1.0 0.02 0.02) = 0.027% HG12 ILE 68 - HB2 MET 118 2.381% * 0.0267% (0.03 1.0 0.02 0.02) = 0.027% QG2 VAL 105 - HB2 MET 118 2.381% * 0.0218% (0.02 1.0 0.02 0.02) = 0.022% QD1 LEU 17 - HB2 MET 118 2.381% * 0.0208% (0.02 1.0 0.02 0.02) = 0.021% QG1 VAL 105 - HB2 MET 118 2.381% * 0.0198% (0.02 1.0 0.02 0.02) = 0.020% HG3 LYS+ 117 - HB2 MET 118 2.381% * 0.0133% (0.01 1.0 0.02 0.83) = 0.013% QD1 LEU 67 - HB2 MET 118 2.381% * 0.0112% (0.01 1.0 0.02 0.02) = 0.011% QG2 VAL 62 - HB2 MET 118 2.381% * 0.0102% (0.01 1.0 0.02 0.02) = 0.010% QG1 VAL 47 - HB2 MET 118 2.381% * 0.0093% (0.01 1.0 0.02 0.02) = 0.009% QG2 VAL 73 - HB2 MET 118 2.381% * 0.0076% (0.01 1.0 0.02 0.02) = 0.008% QG2 VAL 87 - HB2 MET 118 2.381% * 0.0076% (0.01 1.0 0.02 0.02) = 0.008% QG2 VAL 40 - HB2 MET 118 2.381% * 0.0076% (0.01 1.0 0.02 0.02) = 0.008% QG2 ILE 29 - HB2 MET 118 2.381% * 0.0068% (0.01 1.0 0.02 0.02) = 0.007% Peak 2061 (0.72, 1.44, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2062 (8.77, 2.05, 32.16 ppm): 12 chemical-shift based assignments, quality = 0.165, support = 2.81, residual support = 26.0: * O HN VAL 62 - HB VAL 62 8.333% * 79.5362% (0.14 10.0 3.22 32.46) = 79.536% kept HN SER 69 - HB3 GLU- 75 8.333% * 11.3768% (0.29 1.0 1.42 0.43) = 11.377% kept HN THR 95 - HB3 GLU- 75 8.333% * 4.1768% (0.38 1.0 0.39 0.02) = 4.177% kept HN VAL 62 - HB3 GLU- 64 8.333% * 3.2937% (0.05 1.0 2.28 3.42) = 3.294% kept HN PHE 34 - HB VAL 62 8.333% * 0.9511% (0.19 1.0 0.19 0.02) = 0.951% HN PHE 34 - HB3 GLU- 75 8.333% * 0.2211% (0.40 1.0 0.02 0.02) = 0.221% HN VAL 62 - HB3 GLU- 75 8.333% * 0.1712% (0.31 1.0 0.02 0.02) = 0.171% HN THR 95 - HB VAL 62 8.333% * 0.0984% (0.18 1.0 0.02 0.02) = 0.098% HN SER 69 - HB VAL 62 8.333% * 0.0746% (0.13 1.0 0.02 0.02) = 0.075% HN PHE 34 - HB3 GLU- 64 8.333% * 0.0372% (0.07 1.0 0.02 0.02) = 0.037% HN THR 95 - HB3 GLU- 64 8.333% * 0.0357% (0.06 1.0 0.02 0.02) = 0.036% HN SER 69 - HB3 GLU- 64 8.333% * 0.0270% (0.05 1.0 0.02 0.02) = 0.027% Peak 2063 (8.60, 2.27, 32.03 ppm): 8 chemical-shift based assignments, quality = 0.665, support = 3.23, residual support = 22.9: * O HN VAL 80 - HB VAL 80 12.500% * 89.1807% (0.64 10.0 3.48 25.64) = 89.181% kept HN LYS+ 20 - HB VAL 80 12.500% * 8.7987% (0.97 1.0 1.30 0.02) = 8.799% kept HN VAL 73 - HB VAL 80 12.500% * 1.8041% (0.48 1.0 0.54 0.57) = 1.804% kept HN THR 39 - HB VAL 80 12.500% * 0.0947% (0.68 1.0 0.02 1.10) = 0.095% HN LYS+ 20 - HB3 PRO 112 12.500% * 0.0426% (0.31 1.0 0.02 0.02) = 0.043% HN THR 39 - HB3 PRO 112 12.500% * 0.0299% (0.21 1.0 0.02 0.02) = 0.030% HN VAL 80 - HB3 PRO 112 12.500% * 0.0281% (0.20 1.0 0.02 0.02) = 0.028% HN VAL 73 - HB3 PRO 112 12.500% * 0.0212% (0.15 1.0 0.02 0.41) = 0.021% Peak 2066 (4.39, 2.18, 32.14 ppm): 30 chemical-shift based assignments, quality = 0.672, support = 3.56, residual support = 35.5: * O T HA PRO 104 - HB3 PRO 104 3.333% * 91.1979% (0.72 10.0 10.00 3.87 38.93) = 91.198% kept T HA THR 95 - HB3 GLU- 75 3.333% * 5.6871% (0.17 1.0 10.00 0.53 0.02) = 5.687% kept T HA THR 95 - HB3 PRO 104 3.333% * 1.0490% (0.82 1.0 10.00 0.02 0.02) = 1.049% kept T HA PRO 112 - HB3 PRO 104 3.333% * 0.6608% (0.52 1.0 10.00 0.02 3.72) = 0.661% T HA PRO 104 - HB3 GLU- 75 3.333% * 0.1883% (0.15 1.0 10.00 0.02 0.02) = 0.188% T HA PRO 112 - HB3 GLU- 75 3.333% * 0.1364% (0.11 1.0 10.00 0.02 0.30) = 0.136% HA SER 88 - HB3 PRO 104 3.333% * 0.1245% (0.98 1.0 1.00 0.02 0.02) = 0.124% HA ALA 91 - HB3 PRO 104 3.333% * 0.1188% (0.93 1.0 1.00 0.02 0.02) = 0.119% HA ASN 57 - HB3 PRO 104 3.333% * 0.1089% (0.86 1.0 1.00 0.02 0.02) = 0.109% HA SER 27 - HB3 PRO 104 3.333% * 0.0960% (0.75 1.0 1.00 0.02 0.15) = 0.096% HA ALA 37 - HB3 PRO 104 3.333% * 0.0912% (0.72 1.0 1.00 0.02 0.02) = 0.091% HA LYS+ 60 - HB3 PRO 104 3.333% * 0.0762% (0.60 1.0 1.00 0.02 0.02) = 0.076% HA TRP 51 - HB3 PRO 104 3.333% * 0.0711% (0.56 1.0 1.00 0.02 0.02) = 0.071% HA PRO 116 - HB3 PRO 104 3.333% * 0.0563% (0.44 1.0 1.00 0.02 0.02) = 0.056% HA PRO 86 - HB3 PRO 104 3.333% * 0.0471% (0.37 1.0 1.00 0.02 0.02) = 0.047% HB THR 61 - HB3 PRO 104 3.333% * 0.0428% (0.34 1.0 1.00 0.02 0.02) = 0.043% HA2 GLY 26 - HB3 PRO 104 3.333% * 0.0313% (0.25 1.0 1.00 0.02 0.02) = 0.031% HA HIS+ 14 - HB3 PRO 104 3.333% * 0.0313% (0.25 1.0 1.00 0.02 0.02) = 0.031% HA SER 88 - HB3 GLU- 75 3.333% * 0.0257% (0.20 1.0 1.00 0.02 0.02) = 0.026% HA ALA 91 - HB3 GLU- 75 3.333% * 0.0245% (0.19 1.0 1.00 0.02 0.12) = 0.025% HA ASN 57 - HB3 GLU- 75 3.333% * 0.0225% (0.18 1.0 1.00 0.02 0.02) = 0.022% HA SER 27 - HB3 GLU- 75 3.333% * 0.0198% (0.16 1.0 1.00 0.02 0.02) = 0.020% HA ALA 37 - HB3 GLU- 75 3.333% * 0.0188% (0.15 1.0 1.00 0.02 0.02) = 0.019% HA LYS+ 60 - HB3 GLU- 75 3.333% * 0.0157% (0.12 1.0 1.00 0.02 0.18) = 0.016% HA TRP 51 - HB3 GLU- 75 3.333% * 0.0147% (0.12 1.0 1.00 0.02 0.02) = 0.015% HA PRO 116 - HB3 GLU- 75 3.333% * 0.0116% (0.09 1.0 1.00 0.02 0.02) = 0.012% HA PRO 86 - HB3 GLU- 75 3.333% * 0.0097% (0.08 1.0 1.00 0.02 0.02) = 0.010% HB THR 61 - HB3 GLU- 75 3.333% * 0.0088% (0.07 1.0 1.00 0.02 0.02) = 0.009% HA2 GLY 26 - HB3 GLU- 75 3.333% * 0.0065% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA HIS+ 14 - HB3 GLU- 75 3.333% * 0.0065% (0.05 1.0 1.00 0.02 0.13) = 0.006% Peak 2067 (4.39, 1.84, 32.20 ppm): 48 chemical-shift based assignments, quality = 0.615, support = 3.15, residual support = 28.9: * O T HA PRO 104 - HB2 PRO 104 2.083% * 69.8888% (0.72 10.0 10.00 3.97 38.93) = 69.889% kept T HA PRO 112 - HB2 PRO 104 2.083% * 19.7722% (0.54 1.0 10.00 0.75 3.72) = 19.772% kept T HA LYS+ 60 - HB2 PRO 59 2.083% * 7.5244% (0.08 1.0 10.00 3.01 12.86) = 7.524% kept T HA THR 95 - HB2 PRO 104 2.083% * 0.7828% (0.80 1.0 10.00 0.02 0.02) = 0.783% T HA LYS+ 60 - HB2 PRO 104 2.083% * 0.4592% (0.47 1.0 10.00 0.02 0.02) = 0.459% T HA TRP 51 - HB2 PRO 104 2.083% * 0.4248% (0.44 1.0 10.00 0.02 0.02) = 0.425% T HA THR 95 - HB2 PRO 59 2.083% * 0.1283% (0.13 1.0 10.00 0.02 0.02) = 0.128% T HA PRO 104 - HB2 PRO 59 2.083% * 0.1145% (0.12 1.0 10.00 0.02 0.02) = 0.115% T HA PRO 112 - HB2 PRO 59 2.083% * 0.0867% (0.09 1.0 10.00 0.02 0.02) = 0.087% HA SER 88 - HB2 PRO 104 2.083% * 0.0842% (0.86 1.0 1.00 0.02 0.02) = 0.084% HA ASN 57 - HB2 PRO 104 2.083% * 0.0806% (0.83 1.0 1.00 0.02 0.02) = 0.081% HA ALA 91 - HB2 PRO 104 2.083% * 0.0783% (0.80 1.0 1.00 0.02 0.02) = 0.078% T HA TRP 51 - HB2 PRO 59 2.083% * 0.0696% (0.07 1.0 10.00 0.02 1.65) = 0.070% HA SER 27 - HB2 PRO 104 2.083% * 0.0600% (0.62 1.0 1.00 0.02 0.15) = 0.060% HA ALA 37 - HB2 PRO 104 2.083% * 0.0565% (0.58 1.0 1.00 0.02 0.02) = 0.056% HA PRO 116 - HB2 PRO 104 2.083% * 0.0459% (0.47 1.0 1.00 0.02 0.02) = 0.046% HA PRO 86 - HB2 PRO 104 2.083% * 0.0391% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA HIS+ 14 - HB2 PRO 104 2.083% * 0.0269% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB THR 61 - HB2 PRO 104 2.083% * 0.0243% (0.25 1.0 1.00 0.02 0.02) = 0.024% HA2 GLY 26 - HB2 PRO 104 2.083% * 0.0173% (0.18 1.0 1.00 0.02 0.02) = 0.017% HA SER 88 - HB3 ARG+ 84 2.083% * 0.0140% (0.14 1.0 1.00 0.02 0.02) = 0.014% HA SER 88 - HB2 PRO 59 2.083% * 0.0138% (0.14 1.0 1.00 0.02 0.02) = 0.014% HA LYS+ 66 - HB2 PRO 104 2.083% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA ASN 57 - HB3 ARG+ 84 2.083% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA ASN 57 - HB2 PRO 59 2.083% * 0.0132% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA ALA 91 - HB3 ARG+ 84 2.083% * 0.0130% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA THR 95 - HB3 ARG+ 84 2.083% * 0.0130% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA ALA 91 - HB2 PRO 59 2.083% * 0.0128% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA PRO 104 - HB3 ARG+ 84 2.083% * 0.0116% (0.12 1.0 1.00 0.02 0.02) = 0.012% HA SER 27 - HB3 ARG+ 84 2.083% * 0.0100% (0.10 1.0 1.00 0.02 0.02) = 0.010% HA SER 27 - HB2 PRO 59 2.083% * 0.0098% (0.10 1.0 1.00 0.02 0.02) = 0.010% HA ALA 37 - HB3 ARG+ 84 2.083% * 0.0094% (0.10 1.0 1.00 0.02 0.02) = 0.009% HA ALA 37 - HB2 PRO 59 2.083% * 0.0093% (0.09 1.0 1.00 0.02 0.02) = 0.009% HA PRO 112 - HB3 ARG+ 84 2.083% * 0.0088% (0.09 1.0 1.00 0.02 0.02) = 0.009% HA LYS+ 60 - HB3 ARG+ 84 2.083% * 0.0076% (0.08 1.0 1.00 0.02 0.02) = 0.008% HA PRO 116 - HB3 ARG+ 84 2.083% * 0.0076% (0.08 1.0 1.00 0.02 0.02) = 0.008% HA PRO 116 - HB2 PRO 59 2.083% * 0.0075% (0.08 1.0 1.00 0.02 0.02) = 0.008% HA TRP 51 - HB3 ARG+ 84 2.083% * 0.0071% (0.07 1.0 1.00 0.02 1.28) = 0.007% HA PRO 86 - HB3 ARG+ 84 2.083% * 0.0065% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA PRO 86 - HB2 PRO 59 2.083% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% HA HIS+ 14 - HB3 ARG+ 84 2.083% * 0.0045% (0.05 1.0 1.00 0.02 0.02) = 0.004% HA HIS+ 14 - HB2 PRO 59 2.083% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB THR 61 - HB3 ARG+ 84 2.083% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB THR 61 - HB2 PRO 59 2.083% * 0.0040% (0.04 1.0 1.00 0.02 0.89) = 0.004% HA2 GLY 26 - HB3 ARG+ 84 2.083% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% HA2 GLY 26 - HB2 PRO 59 2.083% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% HA LYS+ 66 - HB3 ARG+ 84 2.083% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% HA LYS+ 66 - HB2 PRO 59 2.083% * 0.0022% (0.02 1.0 1.00 0.02 0.28) = 0.002% Peak 2068 (3.86, 2.32, 32.16 ppm): 30 chemical-shift based assignments, quality = 0.451, support = 3.09, residual support = 14.2: O T HD2 PRO 86 - HB3 PRO 86 3.333% * 49.8825% (0.25 10.0 10.00 3.64 22.64) = 49.882% kept HB2 SER 85 - HB3 PRO 86 3.333% * 23.4860% (0.97 1.0 1.00 2.40 2.67) = 23.486% kept O T HD2 PRO 116 - HB3 PRO 116 3.333% * 12.5484% (0.06 10.0 10.00 4.59 17.74) = 12.548% kept HB3 SER 88 - HB3 PRO 86 3.333% * 8.9383% (0.99 1.0 1.00 0.90 0.02) = 8.938% kept HA LYS+ 117 - HB3 PRO 116 3.333% * 2.4182% (0.11 1.0 1.00 2.26 3.61) = 2.418% kept T HD3 PRO 35 - HB3 PRO 86 3.333% * 0.7508% (0.37 1.0 10.00 0.02 0.02) = 0.751% T HD2 PRO 116 - HB3 PRO 86 3.333% * 0.6174% (0.31 1.0 10.00 0.02 0.02) = 0.617% HA2 GLY 114 - HB3 PRO 86 3.333% * 0.1931% (0.96 1.0 1.00 0.02 0.02) = 0.193% HB3 SER 77 - HB3 PRO 86 3.333% * 0.1931% (0.96 1.0 1.00 0.02 0.02) = 0.193% HB3 SER 27 - HB3 PRO 86 3.333% * 0.1602% (0.80 1.0 1.00 0.02 0.02) = 0.160% HA GLU- 45 - HB3 PRO 86 3.333% * 0.1529% (0.76 1.0 1.00 0.02 0.02) = 0.153% T HD3 PRO 35 - HB3 PRO 116 3.333% * 0.1526% (0.08 1.0 10.00 0.02 0.02) = 0.153% HA LYS+ 117 - HB3 PRO 86 3.333% * 0.1052% (0.52 1.0 1.00 0.02 0.02) = 0.105% T HD2 PRO 86 - HB3 PRO 116 3.333% * 0.1014% (0.05 1.0 10.00 0.02 0.02) = 0.101% HB3 SER 88 - HB3 PRO 116 3.333% * 0.0403% (0.20 1.0 1.00 0.02 0.02) = 0.040% HB2 SER 85 - HB3 PRO 116 3.333% * 0.0399% (0.20 1.0 1.00 0.02 0.02) = 0.040% HB3 SER 77 - HB3 PRO 116 3.333% * 0.0392% (0.20 1.0 1.00 0.02 0.02) = 0.039% HA2 GLY 114 - HB3 PRO 116 3.333% * 0.0392% (0.20 1.0 1.00 0.02 0.48) = 0.039% HB3 SER 27 - HB3 PRO 116 3.333% * 0.0326% (0.16 1.0 1.00 0.02 0.02) = 0.033% HA GLU- 45 - HB3 PRO 116 3.333% * 0.0311% (0.15 1.0 1.00 0.02 0.02) = 0.031% HB3 SER 88 - HB2 GLU- 64 3.333% * 0.0111% (0.06 1.0 1.00 0.02 0.02) = 0.011% HB2 SER 85 - HB2 GLU- 64 3.333% * 0.0110% (0.05 1.0 1.00 0.02 0.02) = 0.011% HB3 SER 77 - HB2 GLU- 64 3.333% * 0.0109% (0.05 1.0 1.00 0.02 0.02) = 0.011% HA2 GLY 114 - HB2 GLU- 64 3.333% * 0.0109% (0.05 1.0 1.00 0.02 0.02) = 0.011% HB3 SER 27 - HB2 GLU- 64 3.333% * 0.0090% (0.04 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 45 - HB2 GLU- 64 3.333% * 0.0086% (0.04 1.0 1.00 0.02 0.02) = 0.009% HA LYS+ 117 - HB2 GLU- 64 3.333% * 0.0059% (0.03 1.0 1.00 0.02 0.02) = 0.006% HD3 PRO 35 - HB2 GLU- 64 3.333% * 0.0042% (0.02 1.0 1.00 0.02 0.02) = 0.004% HD2 PRO 116 - HB2 GLU- 64 3.333% * 0.0035% (0.02 1.0 1.00 0.02 0.02) = 0.003% HD2 PRO 86 - HB2 GLU- 64 3.333% * 0.0028% (0.01 1.0 1.00 0.02 0.02) = 0.003% Reference assignment not found: HD3 PRO 86 - HB3 PRO 86 Peak 2069 (3.86, 1.97, 32.17 ppm): 40 chemical-shift based assignments, quality = 0.413, support = 2.81, residual support = 14.3: O HD2 PRO 86 - HB2 PRO 86 2.500% * 56.0281% (0.19 10.0 3.69 22.64) = 56.028% kept HB2 SER 85 - HB2 PRO 86 2.500% * 25.4928% (0.83 1.0 2.10 2.67) = 25.493% kept HB3 SER 88 - HB2 PRO 86 2.500% * 11.0959% (0.84 1.0 0.90 0.02) = 11.096% kept * O HD2 PRO 116 - HB2 PRO 116 2.500% * 5.3521% (0.02 10.0 1.94 17.74) = 5.352% kept HA2 GLY 114 - HB2 PRO 86 2.500% * 0.2381% (0.81 1.0 0.02 0.02) = 0.238% HB3 SER 77 - HB2 PRO 86 2.500% * 0.2381% (0.81 1.0 0.02 0.02) = 0.238% HB3 SER 27 - HB2 PRO 86 2.500% * 0.1923% (0.66 1.0 0.02 0.02) = 0.192% HA GLU- 45 - HB2 PRO 86 2.500% * 0.1827% (0.62 1.0 0.02 0.02) = 0.183% HA LYS+ 117 - HB2 PRO 86 2.500% * 0.1425% (0.49 1.0 0.02 0.02) = 0.142% HD3 PRO 35 - HB2 PRO 86 2.500% * 0.0858% (0.29 1.0 0.02 0.02) = 0.086% HD2 PRO 116 - HB2 PRO 86 2.500% * 0.0700% (0.24 1.0 0.02 0.02) = 0.070% HB3 SER 88 - HB2 GLU- 75 2.500% * 0.0652% (0.22 1.0 0.02 0.02) = 0.065% HB2 SER 85 - HB2 GLU- 75 2.500% * 0.0642% (0.22 1.0 0.02 0.02) = 0.064% HA2 GLY 114 - HB2 GLU- 75 2.500% * 0.0629% (0.21 1.0 0.02 0.02) = 0.063% HB3 SER 77 - HB2 GLU- 75 2.500% * 0.0629% (0.21 1.0 0.02 0.02) = 0.063% HB3 SER 27 - HB2 GLU- 75 2.500% * 0.0508% (0.17 1.0 0.02 0.02) = 0.051% HA GLU- 45 - HB2 GLU- 75 2.500% * 0.0483% (0.16 1.0 0.02 0.11) = 0.048% HB3 SER 88 - HB VAL 73 2.500% * 0.0445% (0.15 1.0 0.02 0.02) = 0.045% HB2 SER 85 - HB VAL 73 2.500% * 0.0438% (0.15 1.0 0.02 0.02) = 0.044% HA2 GLY 114 - HB VAL 73 2.500% * 0.0430% (0.15 1.0 0.02 0.02) = 0.043% HB3 SER 77 - HB VAL 73 2.500% * 0.0430% (0.15 1.0 0.02 0.02) = 0.043% HA LYS+ 117 - HB2 GLU- 75 2.500% * 0.0376% (0.13 1.0 0.02 0.02) = 0.038% HB3 SER 27 - HB VAL 73 2.500% * 0.0347% (0.12 1.0 0.02 0.02) = 0.035% HA GLU- 45 - HB VAL 73 2.500% * 0.0330% (0.11 1.0 0.02 1.63) = 0.033% HA LYS+ 117 - HB VAL 73 2.500% * 0.0257% (0.09 1.0 0.02 0.13) = 0.026% HD3 PRO 35 - HB2 GLU- 75 2.500% * 0.0227% (0.08 1.0 0.02 0.02) = 0.023% HB3 SER 88 - HB2 PRO 116 2.500% * 0.0194% (0.07 1.0 0.02 0.02) = 0.019% HB2 SER 85 - HB2 PRO 116 2.500% * 0.0191% (0.07 1.0 0.02 0.02) = 0.019% HA2 GLY 114 - HB2 PRO 116 2.500% * 0.0187% (0.06 1.0 0.02 0.48) = 0.019% HB3 SER 77 - HB2 PRO 116 2.500% * 0.0187% (0.06 1.0 0.02 0.02) = 0.019% HD2 PRO 116 - HB2 GLU- 75 2.500% * 0.0185% (0.06 1.0 0.02 0.02) = 0.018% HD3 PRO 35 - HB VAL 73 2.500% * 0.0155% (0.05 1.0 0.02 0.02) = 0.015% HB3 SER 27 - HB2 PRO 116 2.500% * 0.0151% (0.05 1.0 0.02 0.02) = 0.015% HD2 PRO 86 - HB2 GLU- 75 2.500% * 0.0148% (0.05 1.0 0.02 0.02) = 0.015% HA GLU- 45 - HB2 PRO 116 2.500% * 0.0144% (0.05 1.0 0.02 0.02) = 0.014% HD2 PRO 116 - HB VAL 73 2.500% * 0.0126% (0.04 1.0 0.02 0.02) = 0.013% HA LYS+ 117 - HB2 PRO 116 2.500% * 0.0112% (0.04 1.0 0.02 3.61) = 0.011% HD2 PRO 86 - HB VAL 73 2.500% * 0.0101% (0.03 1.0 0.02 0.02) = 0.010% HD3 PRO 35 - HB2 PRO 116 2.500% * 0.0068% (0.02 1.0 0.02 0.02) = 0.007% HD2 PRO 86 - HB2 PRO 116 2.500% * 0.0044% (0.02 1.0 0.02 0.02) = 0.004% Peak 2070 (3.76, 2.18, 32.19 ppm): 4 chemical-shift based assignments, quality = 0.662, support = 5.03, residual support = 38.9: * O HD3 PRO 104 - HB3 PRO 104 25.000% * 99.9116% (0.66 10.0 5.04 38.93) = 99.912% kept HA LEU 43 - HB3 PRO 104 25.000% * 0.0546% (0.36 1.0 0.02 0.02) = 0.055% HD3 PRO 104 - HB3 GLU- 75 25.000% * 0.0218% (0.14 1.0 0.02 0.02) = 0.022% HA LEU 43 - HB3 GLU- 75 25.000% * 0.0119% (0.08 1.0 0.02 0.02) = 0.012% Peak 2071 (3.62, 1.85, 32.26 ppm): 3 chemical-shift based assignments, quality = 0.861, support = 0.928, residual support = 3.69: HD2 PRO 112 - HB2 PRO 104 33.333% * 99.1804% (0.87 0.94 3.72) = 99.180% kept HD2 PRO 112 - HB2 PRO 59 33.333% * 0.5147% (0.21 0.02 0.02) = 0.515% HD2 PRO 112 - HB3 ARG+ 84 33.333% * 0.3048% (0.12 0.02 0.02) = 0.305% Peak 2072 (3.44, 2.06, 32.18 ppm): 18 chemical-shift based assignments, quality = 0.314, support = 1.75, residual support = 24.4: * O T HA VAL 62 - HB VAL 62 5.556% * 74.5025% (0.29 10.0 10.00 2.21 32.46) = 74.503% kept T HA VAL 40 - HB3 GLU- 75 5.556% * 19.1898% (0.41 1.0 10.00 0.37 0.85) = 19.190% kept HA ILE 48 - HB3 GLU- 75 5.556% * 3.9912% (0.39 1.0 1.00 0.80 0.02) = 3.991% kept T HA VAL 62 - HB3 GLU- 75 5.556% * 1.3014% (0.50 1.0 10.00 0.02 0.02) = 1.301% kept T HA VAL 40 - HB VAL 62 5.556% * 0.6019% (0.23 1.0 10.00 0.02 0.02) = 0.602% HA VAL 80 - HB3 GLU- 75 5.556% * 0.1003% (0.39 1.0 1.00 0.02 0.02) = 0.100% HD3 PRO 31 - HB3 GLU- 75 5.556% * 0.0589% (0.23 1.0 1.00 0.02 0.02) = 0.059% HA VAL 80 - HB VAL 62 5.556% * 0.0574% (0.22 1.0 1.00 0.02 0.88) = 0.057% HA ILE 48 - HB VAL 62 5.556% * 0.0574% (0.22 1.0 1.00 0.02 9.49) = 0.057% HA1 GLY 71 - HB3 GLU- 75 5.556% * 0.0405% (0.16 1.0 1.00 0.02 0.02) = 0.041% HD3 PRO 31 - HB VAL 62 5.556% * 0.0337% (0.13 1.0 1.00 0.02 0.02) = 0.034% HA1 GLY 71 - HB VAL 62 5.556% * 0.0232% (0.09 1.0 1.00 0.02 0.24) = 0.023% HA VAL 62 - HB3 GLU- 64 5.556% * 0.0101% (0.04 1.0 1.00 0.02 3.42) = 0.010% HA VAL 40 - HB3 GLU- 64 5.556% * 0.0082% (0.03 1.0 1.00 0.02 0.02) = 0.008% HA ILE 48 - HB3 GLU- 64 5.556% * 0.0078% (0.03 1.0 1.00 0.02 3.02) = 0.008% HA VAL 80 - HB3 GLU- 64 5.556% * 0.0078% (0.03 1.0 1.00 0.02 0.02) = 0.008% HD3 PRO 31 - HB3 GLU- 64 5.556% * 0.0046% (0.02 1.0 1.00 0.02 0.02) = 0.005% HA1 GLY 71 - HB3 GLU- 64 5.556% * 0.0032% (0.01 1.0 1.00 0.02 0.02) = 0.003% Peak 2080 (2.61, 2.61, 32.16 ppm): 1 diagonal assignment: * HG2 MET 118 - HG2 MET 118 (0.25) kept Peak 2084 (2.50, 2.49, 32.19 ppm): 2 diagonal assignments: * HG3 MET 118 - HG3 MET 118 (0.23) kept HB3 PRO 59 - HB3 PRO 59 (0.12) kept Peak 2089 (1.98, 1.97, 32.25 ppm): 1 diagonal assignment: HB2 PRO 86 - HB2 PRO 86 (0.77) kept Reference assignment not found: HB2 PRO 116 - HB2 PRO 116 Peak 2095 (2.18, 1.84, 32.19 ppm): 24 chemical-shift based assignments, quality = 0.644, support = 3.58, residual support = 37.3: * O T HB3 PRO 104 - HB2 PRO 104 4.167% * 64.1728% (0.78 10.0 10.00 3.97 38.93) = 64.173% kept O HG2 PRO 104 - HB2 PRO 104 4.167% * 31.2362% (0.38 10.0 1.00 3.22 38.93) = 31.236% kept HG2 PRO 112 - HB2 PRO 104 4.167% * 3.1556% (0.77 1.0 1.00 1.00 3.72) = 3.156% kept T HB3 GLU- 75 - HB2 PRO 104 4.167% * 0.8291% (0.25 1.0 10.00 0.08 0.02) = 0.829% T HB3 PRO 104 - HB2 PRO 59 4.167% * 0.1209% (0.15 1.0 10.00 0.02 0.02) = 0.121% T HB3 PRO 104 - HB3 ARG+ 84 4.167% * 0.0887% (0.11 1.0 10.00 0.02 0.02) = 0.089% HB VAL 99 - HB2 PRO 104 4.167% * 0.0640% (0.78 1.0 1.00 0.02 0.02) = 0.064% HB2 ASP- 82 - HB2 PRO 104 4.167% * 0.0607% (0.74 1.0 1.00 0.02 0.02) = 0.061% HG2 GLN 102 - HB2 PRO 104 4.167% * 0.0592% (0.72 1.0 1.00 0.02 0.02) = 0.059% HG2 MET 126 - HB2 PRO 104 4.167% * 0.0415% (0.50 1.0 1.00 0.02 0.02) = 0.042% T HB3 GLU- 75 - HB2 PRO 59 4.167% * 0.0385% (0.05 1.0 10.00 0.02 0.22) = 0.038% T HB3 GLU- 75 - HB3 ARG+ 84 4.167% * 0.0282% (0.03 1.0 10.00 0.02 0.02) = 0.028% HB VAL 99 - HB2 PRO 59 4.167% * 0.0121% (0.15 1.0 1.00 0.02 0.02) = 0.012% HG2 PRO 112 - HB2 PRO 59 4.167% * 0.0119% (0.14 1.0 1.00 0.02 0.02) = 0.012% HB2 ASP- 82 - HB2 PRO 59 4.167% * 0.0114% (0.14 1.0 1.00 0.02 0.02) = 0.011% HG2 GLN 102 - HB2 PRO 59 4.167% * 0.0112% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB VAL 99 - HB3 ARG+ 84 4.167% * 0.0089% (0.11 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 112 - HB3 ARG+ 84 4.167% * 0.0087% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB2 ASP- 82 - HB3 ARG+ 84 4.167% * 0.0084% (0.10 1.0 1.00 0.02 0.32) = 0.008% HG2 GLN 102 - HB3 ARG+ 84 4.167% * 0.0082% (0.10 1.0 1.00 0.02 0.02) = 0.008% HG2 MET 126 - HB2 PRO 59 4.167% * 0.0078% (0.10 1.0 1.00 0.02 0.02) = 0.008% HG2 PRO 104 - HB2 PRO 59 4.167% * 0.0059% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG2 MET 126 - HB3 ARG+ 84 4.167% * 0.0057% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG2 PRO 104 - HB3 ARG+ 84 4.167% * 0.0043% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 2097 (1.89, 1.89, 32.31 ppm): 2 diagonal assignments: * HB2 PRO 112 - HB2 PRO 112 (0.59) kept HB3 ARG+ 84 - HB3 ARG+ 84 (0.04) kept Peak 2098 (1.85, 2.18, 32.17 ppm): 22 chemical-shift based assignments, quality = 0.963, support = 3.93, residual support = 38.6: * O HB2 PRO 104 - HB3 PRO 104 4.545% * 99.1055% (0.97 10.0 3.97 38.93) = 99.106% kept HG2 PRO 112 - HB3 GLU- 75 4.545% * 0.1163% (0.04 1.0 0.59 0.30) = 0.116% HB3 LYS+ 72 - HB3 PRO 104 4.545% * 0.0980% (0.96 1.0 0.02 0.02) = 0.098% HB3 LYS+ 60 - HB3 PRO 104 4.545% * 0.0965% (0.95 1.0 0.02 0.02) = 0.096% HB VAL 94 - HB3 PRO 104 4.545% * 0.0965% (0.95 1.0 0.02 0.02) = 0.096% HD2 PRO 59 - HB3 PRO 104 4.545% * 0.0946% (0.93 1.0 0.02 0.02) = 0.095% HB2 LYS+ 66 - HB3 PRO 104 4.545% * 0.0687% (0.67 1.0 0.02 0.02) = 0.069% HB3 ARG+ 84 - HB3 PRO 104 4.545% * 0.0487% (0.48 1.0 0.02 0.02) = 0.049% HD3 PRO 52 - HB3 PRO 104 4.545% * 0.0448% (0.44 1.0 0.02 0.02) = 0.045% HB2 PRO 59 - HB3 PRO 104 4.545% * 0.0341% (0.33 1.0 0.02 0.02) = 0.034% HG3 LYS+ 120 - HB3 PRO 104 4.545% * 0.0249% (0.24 1.0 0.02 0.02) = 0.025% HB2 PRO 104 - HB3 GLU- 75 4.545% * 0.0215% (0.21 1.0 0.02 0.02) = 0.021% HB3 LYS+ 72 - HB3 GLU- 75 4.545% * 0.0213% (0.21 1.0 0.02 0.02) = 0.021% HB3 LYS+ 60 - HB3 GLU- 75 4.545% * 0.0209% (0.21 1.0 0.02 0.18) = 0.021% HB VAL 94 - HB3 GLU- 75 4.545% * 0.0209% (0.21 1.0 0.02 0.02) = 0.021% HD2 PRO 59 - HB3 GLU- 75 4.545% * 0.0205% (0.20 1.0 0.02 0.22) = 0.021% HG2 PRO 112 - HB3 PRO 104 4.545% * 0.0183% (0.18 1.0 0.02 3.72) = 0.018% HB2 LYS+ 66 - HB3 GLU- 75 4.545% * 0.0149% (0.15 1.0 0.02 0.02) = 0.015% HB3 ARG+ 84 - HB3 GLU- 75 4.545% * 0.0106% (0.10 1.0 0.02 0.02) = 0.011% HD3 PRO 52 - HB3 GLU- 75 4.545% * 0.0097% (0.10 1.0 0.02 0.02) = 0.010% HB2 PRO 59 - HB3 GLU- 75 4.545% * 0.0074% (0.07 1.0 0.02 0.22) = 0.007% HG3 LYS+ 120 - HB3 GLU- 75 4.545% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% Peak 2101 (0.92, 2.27, 32.00 ppm): 28 chemical-shift based assignments, quality = 0.781, support = 2.23, residual support = 24.6: * O QG2 VAL 80 - HB VAL 80 3.571% * 79.5072% (0.92 10.0 2.13 25.64) = 79.507% kept O QG1 VAL 80 - HB VAL 80 3.571% * 16.3039% (0.19 10.0 3.16 25.64) = 16.304% kept HG3 LYS+ 117 - HB VAL 80 3.571% * 2.1058% (0.69 1.0 0.70 0.02) = 2.106% kept QG2 VAL 40 - HB VAL 80 3.571% * 1.1123% (0.46 1.0 0.55 0.12) = 1.112% kept QG1 VAL 47 - HB VAL 80 3.571% * 0.2369% (0.54 1.0 0.10 0.02) = 0.237% QD1 LEU 67 - HB VAL 80 3.571% * 0.2173% (0.62 1.0 0.08 0.02) = 0.217% HG3 LYS+ 110 - HB VAL 80 3.571% * 0.0739% (0.85 1.0 0.02 0.02) = 0.074% HG12 ILE 68 - HB VAL 80 3.571% * 0.0688% (0.80 1.0 0.02 0.02) = 0.069% QG2 VAL 105 - HB VAL 80 3.571% * 0.0466% (0.54 1.0 0.02 0.02) = 0.047% QD1 LEU 17 - HB VAL 80 3.571% * 0.0433% (0.50 1.0 0.02 0.02) = 0.043% QG1 VAL 105 - HB VAL 80 3.571% * 0.0401% (0.46 1.0 0.02 0.02) = 0.040% QG2 VAL 87 - HB VAL 80 3.571% * 0.0401% (0.46 1.0 0.02 0.02) = 0.040% QG2 VAL 80 - HB3 PRO 112 3.571% * 0.0221% (0.25 1.0 0.02 0.02) = 0.022% HG3 LYS+ 110 - HB3 PRO 112 3.571% * 0.0205% (0.24 1.0 0.02 0.02) = 0.020% HG12 ILE 68 - HB3 PRO 112 3.571% * 0.0191% (0.22 1.0 0.02 0.02) = 0.019% HG3 LYS+ 117 - HB3 PRO 112 3.571% * 0.0166% (0.19 1.0 0.02 0.02) = 0.017% QG2 VAL 62 - HB VAL 80 3.571% * 0.0163% (0.19 1.0 0.02 0.88) = 0.016% QD1 LEU 67 - HB3 PRO 112 3.571% * 0.0148% (0.17 1.0 0.02 0.02) = 0.015% QG2 VAL 105 - HB3 PRO 112 3.571% * 0.0129% (0.15 1.0 0.02 0.02) = 0.013% QG1 VAL 47 - HB3 PRO 112 3.571% * 0.0129% (0.15 1.0 0.02 0.02) = 0.013% QD1 LEU 17 - HB3 PRO 112 3.571% * 0.0120% (0.14 1.0 0.02 0.02) = 0.012% QG2 VAL 73 - HB VAL 80 3.571% * 0.0111% (0.13 1.0 0.02 0.57) = 0.011% QG2 VAL 87 - HB3 PRO 112 3.571% * 0.0111% (0.13 1.0 0.02 0.02) = 0.011% QG2 VAL 40 - HB3 PRO 112 3.571% * 0.0111% (0.13 1.0 0.02 0.02) = 0.011% QG1 VAL 105 - HB3 PRO 112 3.571% * 0.0111% (0.13 1.0 0.02 0.02) = 0.011% QG2 VAL 62 - HB3 PRO 112 3.571% * 0.0045% (0.05 1.0 0.02 0.10) = 0.005% QG1 VAL 80 - HB3 PRO 112 3.571% * 0.0045% (0.05 1.0 0.02 0.02) = 0.005% QG2 VAL 73 - HB3 PRO 112 3.571% * 0.0031% (0.04 1.0 0.02 0.41) = 0.003% Peak 2102 (8.59, 1.96, 31.75 ppm): 8 chemical-shift based assignments, quality = 0.655, support = 3.07, residual support = 23.8: * O HN VAL 73 - HB VAL 73 12.500% * 96.0424% (0.65 10.0 3.18 24.82) = 96.042% kept HN LYS+ 20 - HB VAL 73 12.500% * 1.8419% (0.82 1.0 0.30 0.02) = 1.842% kept HN VAL 80 - HB VAL 73 12.500% * 1.7711% (0.79 1.0 0.30 0.57) = 1.771% kept HN THR 39 - HB VAL 73 12.500% * 0.1213% (0.82 1.0 0.02 0.18) = 0.121% HN THR 39 - HB2 GLU- 75 12.500% * 0.0595% (0.40 1.0 0.02 0.02) = 0.059% HN LYS+ 20 - HB2 GLU- 75 12.500% * 0.0595% (0.40 1.0 0.02 0.02) = 0.059% HN VAL 80 - HB2 GLU- 75 12.500% * 0.0573% (0.39 1.0 0.02 0.02) = 0.057% HN VAL 73 - HB2 GLU- 75 12.500% * 0.0471% (0.32 1.0 0.02 0.02) = 0.047% Peak 2104 (4.29, 2.24, 32.00 ppm): 39 chemical-shift based assignments, quality = 0.23, support = 4.53, residual support = 103.7: O HA PRO 52 - HB2 PRO 52 2.564% * 86.2743% (0.22 10.0 5.08 119.95) = 86.274% kept HA LEU 90 - HB2 PRO 52 2.564% * 10.8553% (0.40 1.0 1.37 2.38) = 10.855% kept HA ASP- 36 - HB2 PRO 52 2.564% * 0.2278% (0.57 1.0 0.02 0.02) = 0.228% HA CYS 121 - HB2 PRO 52 2.564% * 0.2218% (0.56 1.0 0.02 0.02) = 0.222% HA THR 106 - HB2 PRO 52 2.564% * 0.2175% (0.55 1.0 0.02 0.02) = 0.217% HB3 CYS 121 - HB2 PRO 52 2.564% * 0.1994% (0.50 1.0 0.02 0.02) = 0.199% HA ASP- 36 - HB VAL 80 2.564% * 0.1423% (0.36 1.0 0.02 0.02) = 0.142% HA VAL 122 - HB2 PRO 52 2.564% * 0.1394% (0.35 1.0 0.02 1.73) = 0.139% HA ILE 29 - HB2 PRO 52 2.564% * 0.1394% (0.35 1.0 0.02 3.61) = 0.139% HA CYS 121 - HB VAL 80 2.564% * 0.1386% (0.35 1.0 0.02 0.02) = 0.139% HA THR 106 - HB VAL 80 2.564% * 0.1359% (0.34 1.0 0.02 0.30) = 0.136% HB3 CYS 121 - HB VAL 80 2.564% * 0.1246% (0.31 1.0 0.02 0.02) = 0.125% HA LEU 90 - HB VAL 80 2.564% * 0.0987% (0.25 1.0 0.02 0.02) = 0.099% HA VAL 94 - HB2 PRO 52 2.564% * 0.0945% (0.24 1.0 0.02 0.02) = 0.095% HA ALA 93 - HB2 PRO 52 2.564% * 0.0945% (0.24 1.0 0.02 0.02) = 0.095% HA VAL 122 - HB VAL 80 2.564% * 0.0871% (0.22 1.0 0.02 0.02) = 0.087% HA ILE 29 - HB VAL 80 2.564% * 0.0871% (0.22 1.0 0.02 0.02) = 0.087% HA ARG+ 84 - HB2 PRO 52 2.564% * 0.0863% (0.22 1.0 0.02 0.02) = 0.086% HA SER 85 - HB2 PRO 52 2.564% * 0.0863% (0.22 1.0 0.02 0.02) = 0.086% HA VAL 94 - HB VAL 80 2.564% * 0.0590% (0.15 1.0 0.02 0.02) = 0.059% HA ALA 93 - HB VAL 80 2.564% * 0.0590% (0.15 1.0 0.02 0.02) = 0.059% HA PRO 52 - HB VAL 80 2.564% * 0.0539% (0.14 1.0 0.02 0.02) = 0.054% HA SER 85 - HB VAL 80 2.564% * 0.0539% (0.14 1.0 0.02 0.02) = 0.054% HA ARG+ 84 - HB VAL 80 2.564% * 0.0539% (0.14 1.0 0.02 0.02) = 0.054% HA GLU- 56 - HB2 PRO 52 2.564% * 0.0455% (0.11 1.0 0.02 0.02) = 0.045% HA GLU- 56 - HB VAL 80 2.564% * 0.0284% (0.07 1.0 0.02 0.02) = 0.028% HA ASP- 36 - HB3 PRO 112 2.564% * 0.0248% (0.06 1.0 0.02 1.41) = 0.025% HA CYS 121 - HB3 PRO 112 2.564% * 0.0241% (0.06 1.0 0.02 0.02) = 0.024% HA THR 106 - HB3 PRO 112 2.564% * 0.0237% (0.06 1.0 0.02 0.02) = 0.024% HB3 CYS 121 - HB3 PRO 112 2.564% * 0.0217% (0.05 1.0 0.02 0.02) = 0.022% HA LEU 90 - HB3 PRO 112 2.564% * 0.0172% (0.04 1.0 0.02 0.02) = 0.017% * HA VAL 122 - HB3 PRO 112 2.564% * 0.0152% (0.04 1.0 0.02 0.02) = 0.015% HA ILE 29 - HB3 PRO 112 2.564% * 0.0152% (0.04 1.0 0.02 0.85) = 0.015% HA VAL 94 - HB3 PRO 112 2.564% * 0.0103% (0.03 1.0 0.02 0.02) = 0.010% HA ALA 93 - HB3 PRO 112 2.564% * 0.0103% (0.03 1.0 0.02 0.02) = 0.010% HA ARG+ 84 - HB3 PRO 112 2.564% * 0.0094% (0.02 1.0 0.02 0.02) = 0.009% HA SER 85 - HB3 PRO 112 2.564% * 0.0094% (0.02 1.0 0.02 0.02) = 0.009% HA PRO 52 - HB3 PRO 112 2.564% * 0.0094% (0.02 1.0 0.02 0.02) = 0.009% HA GLU- 56 - HB3 PRO 112 2.564% * 0.0050% (0.01 1.0 0.02 0.14) = 0.005% Reference assignment eliminated. Peak 2105 (4.25, 2.36, 31.85 ppm): 42 chemical-shift based assignments, quality = 0.691, support = 4.29, residual support = 56.2: O HA GLU- 64 - HB2 GLU- 64 2.381% * 98.3849% (0.70 10.0 4.36 57.09) = 98.385% kept HA ALA 11 - HB2 GLU- 64 2.381% * 0.1355% (0.97 1.0 0.02 0.02) = 0.135% HA ASN 76 - HB2 GLU- 64 2.381% * 0.1343% (0.96 1.0 0.02 0.02) = 0.134% HA ASN 119 - HB2 GLU- 64 2.381% * 0.1328% (0.95 1.0 0.02 0.02) = 0.133% HA GLU- 107 - HB2 GLU- 64 2.381% * 0.1328% (0.95 1.0 0.02 0.02) = 0.133% HA PRO 59 - HB2 GLU- 64 2.381% * 0.1251% (0.89 1.0 0.02 0.02) = 0.125% HA GLU- 75 - HB2 GLU- 64 2.381% * 0.1035% (0.74 1.0 0.02 0.02) = 0.104% HA GLU- 54 - HB2 GLU- 64 2.381% * 0.0931% (0.66 1.0 0.02 0.02) = 0.093% HA LYS+ 108 - HB2 GLU- 64 2.381% * 0.0931% (0.66 1.0 0.02 0.02) = 0.093% HA GLU- 10 - HB2 GLU- 64 2.381% * 0.0931% (0.66 1.0 0.02 0.02) = 0.093% HA GLU- 56 - HB2 GLU- 64 2.381% * 0.0767% (0.55 1.0 0.02 0.02) = 0.077% HA ALA 42 - HB2 GLU- 64 2.381% * 0.0659% (0.47 1.0 0.02 0.02) = 0.066% HA SER 49 - HB2 GLU- 64 2.381% * 0.0557% (0.40 1.0 0.02 0.82) = 0.056% HA SER 85 - HB2 GLU- 64 2.381% * 0.0462% (0.33 1.0 0.02 0.02) = 0.046% HA ARG+ 84 - HB2 GLU- 64 2.381% * 0.0462% (0.33 1.0 0.02 0.02) = 0.046% HA PRO 52 - HB2 GLU- 64 2.381% * 0.0462% (0.33 1.0 0.02 0.02) = 0.046% HB3 SER 49 - HB2 GLU- 64 2.381% * 0.0423% (0.30 1.0 0.02 0.82) = 0.042% HA VAL 94 - HB2 GLU- 64 2.381% * 0.0418% (0.30 1.0 0.02 0.02) = 0.042% HA GLU- 109 - HB2 GLU- 64 2.381% * 0.0338% (0.24 1.0 0.02 0.02) = 0.034% HA VAL 122 - HB2 GLU- 64 2.381% * 0.0237% (0.17 1.0 0.02 0.02) = 0.024% HA LEU 90 - HB2 GLU- 64 2.381% * 0.0183% (0.13 1.0 0.02 0.02) = 0.018% HA ALA 11 - HB3 PRO 86 2.381% * 0.0062% (0.04 1.0 0.02 0.11) = 0.006% HA ASN 76 - HB3 PRO 86 2.381% * 0.0061% (0.04 1.0 0.02 0.02) = 0.006% HA GLU- 107 - HB3 PRO 86 2.381% * 0.0061% (0.04 1.0 0.02 0.02) = 0.006% HA ASN 119 - HB3 PRO 86 2.381% * 0.0061% (0.04 1.0 0.02 0.02) = 0.006% HA PRO 59 - HB3 PRO 86 2.381% * 0.0057% (0.04 1.0 0.02 0.02) = 0.006% HA GLU- 75 - HB3 PRO 86 2.381% * 0.0047% (0.03 1.0 0.02 0.02) = 0.005% HA GLU- 64 - HB3 PRO 86 2.381% * 0.0045% (0.03 1.0 0.02 0.02) = 0.004% HA GLU- 10 - HB3 PRO 86 2.381% * 0.0043% (0.03 1.0 0.02 0.02) = 0.004% HA GLU- 54 - HB3 PRO 86 2.381% * 0.0043% (0.03 1.0 0.02 0.02) = 0.004% HA LYS+ 108 - HB3 PRO 86 2.381% * 0.0043% (0.03 1.0 0.02 0.02) = 0.004% HA GLU- 56 - HB3 PRO 86 2.381% * 0.0035% (0.03 1.0 0.02 0.02) = 0.004% HA ALA 42 - HB3 PRO 86 2.381% * 0.0030% (0.02 1.0 0.02 0.02) = 0.003% HA SER 49 - HB3 PRO 86 2.381% * 0.0025% (0.02 1.0 0.02 0.02) = 0.003% HA PRO 52 - HB3 PRO 86 2.381% * 0.0021% (0.02 1.0 0.02 0.02) = 0.002% HA ARG+ 84 - HB3 PRO 86 2.381% * 0.0021% (0.02 1.0 0.02 0.02) = 0.002% HA SER 85 - HB3 PRO 86 2.381% * 0.0021% (0.02 1.0 0.02 2.67) = 0.002% HB3 SER 49 - HB3 PRO 86 2.381% * 0.0019% (0.01 1.0 0.02 0.02) = 0.002% HA VAL 94 - HB3 PRO 86 2.381% * 0.0019% (0.01 1.0 0.02 0.02) = 0.002% HA GLU- 109 - HB3 PRO 86 2.381% * 0.0015% (0.01 1.0 0.02 0.02) = 0.002% HA VAL 122 - HB3 PRO 86 2.381% * 0.0011% (0.01 1.0 0.02 0.02) = 0.001% HA LEU 90 - HB3 PRO 86 2.381% * 0.0008% (0.01 1.0 0.02 0.02) = 0.001% Reference assignment not found: HA GLU- 64 - HB3 GLU- 64 Peak 2107 (3.15, 2.91, 31.92 ppm): 6 chemical-shift based assignments, quality = 0.615, support = 2.11, residual support = 23.6: * O T HB3 HIS+ 98 - HB2 HIS+ 98 16.667% * 99.7958% (0.62 10.0 10.00 2.12 23.67) = 99.796% kept HB3 PHE 34 - HB2 HIS+ 98 16.667% * 0.0630% (0.39 1.0 1.00 0.02 0.02) = 0.063% HE3 LYS+ 108 - HB2 HIS+ 98 16.667% * 0.0380% (0.23 1.0 1.00 0.02 0.02) = 0.038% HE3 LYS+ 117 - HB2 HIS+ 98 16.667% * 0.0380% (0.23 1.0 1.00 0.02 0.02) = 0.038% HE3 LYS+ 72 - HB2 HIS+ 98 16.667% * 0.0343% (0.21 1.0 1.00 0.02 0.02) = 0.034% HD3 ARG+ 84 - HB2 HIS+ 98 16.667% * 0.0309% (0.19 1.0 1.00 0.02 0.02) = 0.031% Peak 2108 (2.92, 3.15, 31.92 ppm): 5 chemical-shift based assignments, quality = 0.615, support = 2.09, residual support = 23.3: * O T HB2 HIS+ 98 - HB3 HIS+ 98 20.000% * 98.5569% (0.62 10.0 10.00 2.12 23.67) = 98.557% kept HE3 LYS+ 81 - HB3 HIS+ 98 20.000% * 1.1837% (0.51 1.0 1.00 0.29 0.39) = 1.184% kept HB2 CYS 121 - HB3 HIS+ 98 20.000% * 0.0966% (0.61 1.0 1.00 0.02 0.02) = 0.097% HE3 LYS+ 60 - HB3 HIS+ 98 20.000% * 0.0886% (0.56 1.0 1.00 0.02 0.02) = 0.089% HB3 ASN 57 - HB3 HIS+ 98 20.000% * 0.0742% (0.47 1.0 1.00 0.02 0.02) = 0.074% Peak 2111 (2.38, 2.23, 72.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2112 (2.23, 1.61, 31.95 ppm): 15 chemical-shift based assignments, quality = 0.768, support = 5.44, residual support = 117.3: O T HB2 PRO 52 - HB3 PRO 52 6.667% * 97.7859% (0.77 10.0 10.00 5.56 119.95) = 97.786% kept HG2 PRO 112 - HB3 PRO 52 6.667% * 1.3104% (0.84 1.0 1.00 0.25 0.02) = 1.310% kept HB3 GLU- 45 - HB3 PRO 52 6.667% * 0.1002% (0.79 1.0 1.00 0.02 0.02) = 0.100% HG3 GLU- 109 - HB3 PRO 52 6.667% * 0.0978% (0.77 1.0 1.00 0.02 0.02) = 0.098% HG3 GLN 16 - HB3 PRO 52 6.667% * 0.0950% (0.75 1.0 1.00 0.02 0.12) = 0.095% HG3 GLU- 10 - HB3 PRO 52 6.667% * 0.0919% (0.73 1.0 1.00 0.02 0.02) = 0.092% HG3 GLN 102 - HB3 PRO 52 6.667% * 0.0885% (0.70 1.0 1.00 0.02 0.02) = 0.088% HB3 ASN 15 - HB3 PRO 52 6.667% * 0.0769% (0.61 1.0 1.00 0.02 0.02) = 0.077% HG3 GLU- 18 - HB3 PRO 52 6.667% * 0.0769% (0.61 1.0 1.00 0.02 0.02) = 0.077% HB2 GLU- 50 - HB3 PRO 52 6.667% * 0.0685% (0.54 1.0 1.00 0.02 0.30) = 0.069% HA1 GLY 58 - HB3 PRO 52 6.667% * 0.0557% (0.44 1.0 1.00 0.02 0.02) = 0.056% HG3 MET 97 - HB3 PRO 52 6.667% * 0.0557% (0.44 1.0 1.00 0.02 0.02) = 0.056% HG3 MET 126 - HB3 PRO 52 6.667% * 0.0435% (0.34 1.0 1.00 0.02 0.02) = 0.044% HG3 GLU- 107 - HB3 PRO 52 6.667% * 0.0295% (0.23 1.0 1.00 0.02 0.02) = 0.029% HG3 GLU- 54 - HB3 PRO 52 6.667% * 0.0236% (0.19 1.0 1.00 0.02 8.58) = 0.024% Peak 2113 (1.91, 1.62, 31.82 ppm): 12 chemical-shift based assignments, quality = 0.501, support = 2.73, residual support = 18.7: HB3 ARG+ 53 - HB3 PRO 52 8.333% * 79.5278% (0.51 3.38 23.29) = 79.528% kept HB2 LEU 23 - HB3 PRO 52 8.333% * 7.6304% (0.53 0.31 1.68) = 7.630% kept HD3 LYS+ 63 - HB3 PRO 52 8.333% * 4.4442% (0.63 0.15 1.22) = 4.444% kept HB2 PRO 112 - HB3 PRO 52 8.333% * 4.0525% (0.61 0.14 0.02) = 4.053% kept HG2 PRO 112 - HB3 PRO 52 8.333% * 2.1636% (0.19 0.25 0.02) = 2.164% kept HB3 GLN 102 - HB3 PRO 52 8.333% * 0.5758% (0.62 0.02 0.02) = 0.576% HB ILE 29 - HB3 PRO 52 8.333% * 0.3800% (0.41 0.02 3.61) = 0.380% HB3 CYS 123 - HB3 PRO 52 8.333% * 0.3800% (0.41 0.02 0.02) = 0.380% HB3 GLN 16 - HB3 PRO 52 8.333% * 0.2415% (0.26 0.02 0.12) = 0.242% HG2 GLU- 18 - HB3 PRO 52 8.333% * 0.2415% (0.26 0.02 0.02) = 0.242% HB2 GLU- 10 - HB3 PRO 52 8.333% * 0.1813% (0.20 0.02 0.02) = 0.181% HB2 PRO 116 - HB3 PRO 52 8.333% * 0.1813% (0.20 0.02 0.02) = 0.181% Peak 2114 (1.62, 2.23, 31.94 ppm): 22 chemical-shift based assignments, quality = 0.621, support = 5.46, residual support = 118.0: * O T HB3 PRO 52 - HB2 PRO 52 4.545% * 98.3396% (0.63 10.0 10.00 5.56 119.95) = 98.340% kept HB VAL 122 - HB2 PRO 52 4.545% * 0.6797% (0.75 1.0 1.00 0.12 1.73) = 0.680% HG3 LYS+ 78 - HB2 PRO 52 4.545% * 0.1351% (0.87 1.0 1.00 0.02 0.02) = 0.135% HG LEU 43 - HB2 PRO 52 4.545% * 0.1175% (0.75 1.0 1.00 0.02 0.02) = 0.117% HG2 LYS+ 110 - HB2 PRO 52 4.545% * 0.1175% (0.75 1.0 1.00 0.02 0.02) = 0.117% HB ILE 68 - HB2 PRO 52 4.545% * 0.1175% (0.75 1.0 1.00 0.02 0.02) = 0.117% HG12 ILE 101 - HB2 PRO 52 4.545% * 0.1131% (0.73 1.0 1.00 0.02 0.02) = 0.113% HG LEU 23 - HB2 PRO 52 4.545% * 0.1035% (0.66 1.0 1.00 0.02 1.68) = 0.103% HD3 LYS+ 32 - HB2 PRO 52 4.545% * 0.0767% (0.49 1.0 1.00 0.02 0.02) = 0.077% HG2 ARG+ 22 - HB2 PRO 52 4.545% * 0.0268% (0.17 1.0 1.00 0.02 0.02) = 0.027% HB3 LYS+ 32 - HB2 PRO 52 4.545% * 0.0209% (0.13 1.0 1.00 0.02 0.02) = 0.021% HG3 LYS+ 78 - HB VAL 80 4.545% * 0.0197% (0.13 1.0 1.00 0.02 0.02) = 0.020% HB ILE 68 - HB VAL 80 4.545% * 0.0171% (0.11 1.0 1.00 0.02 0.02) = 0.017% HB VAL 122 - HB VAL 80 4.545% * 0.0171% (0.11 1.0 1.00 0.02 0.02) = 0.017% HG2 LYS+ 110 - HB VAL 80 4.545% * 0.0171% (0.11 1.0 1.00 0.02 0.02) = 0.017% HG LEU 43 - HB VAL 80 4.545% * 0.0171% (0.11 1.0 1.00 0.02 4.17) = 0.017% HG12 ILE 101 - HB VAL 80 4.545% * 0.0165% (0.11 1.0 1.00 0.02 0.02) = 0.016% HG LEU 23 - HB VAL 80 4.545% * 0.0151% (0.10 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 52 - HB VAL 80 4.545% * 0.0143% (0.09 1.0 1.00 0.02 0.02) = 0.014% HD3 LYS+ 32 - HB VAL 80 4.545% * 0.0112% (0.07 1.0 1.00 0.02 0.02) = 0.011% HG2 ARG+ 22 - HB VAL 80 4.545% * 0.0039% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 LYS+ 32 - HB VAL 80 4.545% * 0.0030% (0.02 1.0 1.00 0.02 0.02) = 0.003% Peak 2115 (1.60, 1.60, 31.96 ppm): 1 diagonal assignment: * HB3 PRO 52 - HB3 PRO 52 (0.81) kept Peak 2116 (1.46, 2.02, 31.93 ppm): 24 chemical-shift based assignments, quality = 0.594, support = 0.907, residual support = 0.665: HG3 LYS+ 60 - HB3 GLU- 64 4.167% * 28.0763% (0.74 1.35 0.02) = 28.076% kept HB3 LEU 67 - HB3 GLU- 64 4.167% * 13.5968% (0.81 0.60 0.16) = 13.597% kept HG13 ILE 48 - HB3 GLU- 64 4.167% * 12.4782% (0.84 0.53 3.02) = 12.478% kept HB3 LEU 67 - HB3 GLU- 75 4.167% * 11.7741% (0.30 1.41 0.26) = 11.774% kept HG2 PRO 59 - HB3 GLU- 64 4.167% * 7.4182% (0.74 0.36 0.02) = 7.418% kept HB3 LYS+ 44 - HB3 GLU- 75 4.167% * 6.3915% (0.14 1.61 3.27) = 6.392% kept HG3 LYS+ 60 - HB3 GLU- 75 4.167% * 5.8246% (0.27 0.76 0.18) = 5.825% kept HG3 PRO 52 - HB3 GLU- 64 4.167% * 4.0350% (0.84 0.17 0.02) = 4.035% kept HG2 PRO 59 - HB3 GLU- 75 4.167% * 3.8484% (0.27 0.50 0.22) = 3.848% kept HG13 ILE 48 - HB3 GLU- 75 4.167% * 2.4231% (0.31 0.28 0.02) = 2.423% kept HG3 PRO 52 - HB3 GLU- 75 4.167% * 1.4367% (0.31 0.17 0.02) = 1.437% kept QB ALA 70 - HB3 GLU- 75 4.167% * 1.3720% (0.13 0.38 0.02) = 1.372% kept HG LEU 90 - HB3 GLU- 64 4.167% * 0.5425% (0.24 0.08 0.02) = 0.542% HB3 LYS+ 44 - HB3 GLU- 64 4.167% * 0.2146% (0.38 0.02 0.02) = 0.215% QB ALA 70 - HB3 GLU- 64 4.167% * 0.1968% (0.35 0.02 0.02) = 0.197% HG13 ILE 48 - HB2 PRO 86 4.167% * 0.0546% (0.10 0.02 0.49) = 0.055% HG3 PRO 52 - HB2 PRO 86 4.167% * 0.0546% (0.10 0.02 0.02) = 0.055% HB3 LEU 67 - HB2 PRO 86 4.167% * 0.0527% (0.09 0.02 0.02) = 0.053% HG LEU 90 - HB3 GLU- 75 4.167% * 0.0492% (0.09 0.02 0.39) = 0.049% HG2 PRO 59 - HB2 PRO 86 4.167% * 0.0484% (0.09 0.02 0.02) = 0.048% HG3 LYS+ 60 - HB2 PRO 86 4.167% * 0.0484% (0.09 0.02 0.02) = 0.048% HB3 LYS+ 44 - HB2 PRO 86 4.167% * 0.0250% (0.04 0.02 0.02) = 0.025% QB ALA 70 - HB2 PRO 86 4.167% * 0.0229% (0.04 0.02 0.02) = 0.023% HG LEU 90 - HB2 PRO 86 4.167% * 0.0155% (0.03 0.02 0.02) = 0.015% Peak 2117 (0.94, 1.97, 31.80 ppm): 30 chemical-shift based assignments, quality = 0.772, support = 2.15, residual support = 23.1: * O QG2 VAL 73 - HB VAL 73 3.333% * 92.8733% (0.78 10.0 2.28 24.82) = 92.873% kept HG12 ILE 68 - HB VAL 73 3.333% * 2.9287% (0.74 1.0 0.66 1.95) = 2.929% kept QG2 VAL 62 - HB VAL 73 3.333% * 2.8436% (0.87 1.0 0.55 0.02) = 2.844% kept QG2 VAL 80 - HB VAL 73 3.333% * 0.2885% (0.55 1.0 0.09 0.57) = 0.288% QG1 VAL 105 - HB VAL 73 3.333% * 0.1150% (0.97 1.0 0.02 0.02) = 0.115% QD1 LEU 17 - HB VAL 73 3.333% * 0.1137% (0.96 1.0 0.02 0.02) = 0.114% QG2 VAL 105 - HB VAL 73 3.333% * 0.1119% (0.94 1.0 0.02 0.02) = 0.112% QG2 ILE 29 - HB VAL 73 3.333% * 0.0886% (0.74 1.0 0.02 0.02) = 0.089% HG3 LYS+ 110 - HB VAL 73 3.333% * 0.0797% (0.67 1.0 0.02 0.02) = 0.080% QG1 VAL 105 - HB2 GLU- 75 3.333% * 0.0472% (0.40 1.0 0.02 0.02) = 0.047% QD1 LEU 17 - HB2 GLU- 75 3.333% * 0.0467% (0.39 1.0 0.02 0.20) = 0.047% QG2 VAL 105 - HB2 GLU- 75 3.333% * 0.0460% (0.39 1.0 0.02 0.02) = 0.046% QG2 VAL 99 - HB VAL 73 3.333% * 0.0435% (0.37 1.0 0.02 0.02) = 0.044% QG2 VAL 62 - HB2 GLU- 75 3.333% * 0.0427% (0.36 1.0 0.02 0.02) = 0.043% QG2 VAL 73 - HB2 GLU- 75 3.333% * 0.0382% (0.32 1.0 0.02 0.02) = 0.038% QG2 ILE 29 - HB2 GLU- 75 3.333% * 0.0364% (0.31 1.0 0.02 0.02) = 0.036% HG12 ILE 68 - HB2 GLU- 75 3.333% * 0.0364% (0.31 1.0 0.02 0.02) = 0.036% HG3 LYS+ 110 - HB2 GLU- 75 3.333% * 0.0327% (0.28 1.0 0.02 0.02) = 0.033% QG2 VAL 80 - HB2 GLU- 75 3.333% * 0.0270% (0.23 1.0 0.02 0.02) = 0.027% QG1 VAL 105 - HB2 PRO 86 3.333% * 0.0181% (0.15 1.0 0.02 0.02) = 0.018% QD1 LEU 17 - HB2 PRO 86 3.333% * 0.0179% (0.15 1.0 0.02 0.02) = 0.018% QG2 VAL 99 - HB2 GLU- 75 3.333% * 0.0179% (0.15 1.0 0.02 0.02) = 0.018% QG2 VAL 105 - HB2 PRO 86 3.333% * 0.0176% (0.15 1.0 0.02 0.02) = 0.018% QG2 VAL 62 - HB2 PRO 86 3.333% * 0.0164% (0.14 1.0 0.02 0.02) = 0.016% QG2 VAL 73 - HB2 PRO 86 3.333% * 0.0146% (0.12 1.0 0.02 0.02) = 0.015% QG2 ILE 29 - HB2 PRO 86 3.333% * 0.0140% (0.12 1.0 0.02 0.02) = 0.014% HG12 ILE 68 - HB2 PRO 86 3.333% * 0.0140% (0.12 1.0 0.02 0.02) = 0.014% HG3 LYS+ 110 - HB2 PRO 86 3.333% * 0.0125% (0.11 1.0 0.02 0.02) = 0.013% QG2 VAL 80 - HB2 PRO 86 3.333% * 0.0103% (0.09 1.0 0.02 0.02) = 0.010% QG2 VAL 99 - HB2 PRO 86 3.333% * 0.0069% (0.06 1.0 0.02 0.02) = 0.007% Peak 2119 (7.33, 1.85, 31.57 ppm): 12 chemical-shift based assignments, quality = 0.0947, support = 3.65, residual support = 60.1: * O HN ARG+ 84 - HB3 ARG+ 84 8.333% * 76.8938% (0.09 10.0 4.37 76.79) = 76.894% kept QE PHE 34 - HB3 ARG+ 84 8.333% * 8.9279% (0.12 1.0 1.72 5.06) = 8.928% kept HZ PHE 34 - HB3 ARG+ 84 8.333% * 6.2572% (0.12 1.0 1.21 5.06) = 6.257% kept QD PHE 34 - HB3 ARG+ 84 8.333% * 4.3427% (0.10 1.0 0.98 5.06) = 4.343% kept HZ2 TRP 51 - HB3 ARG+ 84 8.333% * 3.0575% (0.12 1.0 0.59 1.28) = 3.058% kept HN VAL 47 - HB3 ARG+ 84 8.333% * 0.3655% (0.09 1.0 0.09 0.02) = 0.365% HZ2 TRP 51 - HB3 GLN 16 8.333% * 0.0289% (0.03 1.0 0.02 0.30) = 0.029% QE PHE 34 - HB3 GLN 16 8.333% * 0.0289% (0.03 1.0 0.02 0.02) = 0.029% HZ PHE 34 - HB3 GLN 16 8.333% * 0.0289% (0.03 1.0 0.02 0.02) = 0.029% QD PHE 34 - HB3 GLN 16 8.333% * 0.0247% (0.03 1.0 0.02 0.02) = 0.025% HN VAL 47 - HB3 GLN 16 8.333% * 0.0226% (0.03 1.0 0.02 0.02) = 0.023% HN ARG+ 84 - HB3 GLN 16 8.333% * 0.0214% (0.02 1.0 0.02 0.02) = 0.021% Peak 2120 (7.33, 1.77, 31.52 ppm): 6 chemical-shift based assignments, quality = 0.238, support = 1.09, residual support = 0.868: QE PHE 34 - HB3 GLU- 18 16.667% * 40.8766% (0.26 1.34 0.90) = 40.877% kept QD PHE 34 - HB3 GLU- 18 16.667% * 27.2967% (0.18 1.30 0.90) = 27.297% kept HZ PHE 34 - HB3 GLU- 18 16.667% * 23.4012% (0.26 0.76 0.90) = 23.401% kept HZ2 TRP 51 - HB3 GLU- 18 16.667% * 5.6386% (0.26 0.18 0.02) = 5.639% kept HN VAL 47 - HB3 GLU- 18 16.667% * 1.4112% (0.16 0.08 0.02) = 1.411% kept HN ARG+ 84 - HB3 GLU- 18 16.667% * 1.3756% (0.15 0.08 3.02) = 1.376% kept Peak 2121 (4.80, 1.76, 31.40 ppm): 4 chemical-shift based assignments, quality = 0.254, support = 4.62, residual support = 53.7: * O HA GLU- 18 - HB3 GLU- 18 25.000% * 99.6921% (0.25 10.0 4.64 53.83) = 99.692% kept HA LEU 23 - HB3 GLU- 18 25.000% * 0.1511% (0.39 1.0 0.02 0.02) = 0.151% HB THR 39 - HB3 GLU- 18 25.000% * 0.0935% (0.24 1.0 0.02 0.02) = 0.093% HA ASN 15 - HB3 GLU- 18 25.000% * 0.0634% (0.16 1.0 0.02 0.02) = 0.063% Peak 2124 (4.29, 1.77, 31.45 ppm): 15 chemical-shift based assignments, quality = 0.338, support = 0.566, residual support = 0.702: HA CYS 121 - HB3 GLU- 18 6.667% * 22.5241% (0.43 0.65 0.22) = 22.524% kept HB3 CYS 121 - HB3 GLU- 18 6.667% * 22.0010% (0.42 0.64 0.22) = 22.001% kept HA VAL 94 - HB3 GLU- 18 6.667% * 16.3925% (0.26 0.77 3.64) = 16.392% kept HA ASP- 36 - HB3 GLU- 18 6.667% * 10.3187% (0.39 0.33 0.02) = 10.319% kept HA ALA 93 - HB3 GLU- 18 6.667% * 8.1693% (0.11 0.94 0.02) = 8.169% kept HA VAL 122 - HB3 GLU- 18 6.667% * 5.4757% (0.35 0.20 0.02) = 5.476% kept HA ILE 29 - HB3 GLU- 18 6.667% * 4.5937% (0.18 0.32 0.02) = 4.594% kept HA THR 106 - HB3 GLU- 18 6.667% * 3.3269% (0.43 0.10 0.02) = 3.327% kept HA LEU 90 - HB3 GLU- 18 6.667% * 2.9524% (0.38 0.10 0.02) = 2.952% kept HA GLU- 75 - HB3 GLU- 18 6.667% * 2.6640% (0.09 0.39 0.02) = 2.664% kept HA PRO 52 - HB3 GLU- 18 6.667% * 0.3959% (0.25 0.02 0.02) = 0.396% HA ARG+ 84 - HB3 GLU- 18 6.667% * 0.3959% (0.25 0.02 3.02) = 0.396% HA SER 85 - HB3 GLU- 18 6.667% * 0.3959% (0.25 0.02 2.22) = 0.396% HA GLU- 56 - HB3 GLU- 18 6.667% * 0.2385% (0.15 0.02 0.02) = 0.239% HA GLU- 64 - HB3 GLU- 18 6.667% * 0.1557% (0.10 0.02 0.02) = 0.156% Reference assignment not found: HA ARG+ 84 - HB2 ARG+ 84 Peak 2125 (4.27, 2.02, 31.57 ppm): 57 chemical-shift based assignments, quality = 0.351, support = 3.88, residual support = 38.3: O HA GLU- 64 - HB3 GLU- 64 1.754% * 47.4665% (0.37 10.0 5.23 57.09) = 47.467% kept O HA GLU- 75 - HB3 GLU- 75 1.754% * 46.2654% (0.36 10.0 2.97 24.11) = 46.265% kept HA ASN 76 - HB3 GLU- 75 1.754% * 1.3959% (0.23 1.0 0.96 0.02) = 1.396% kept HA GLU- 56 - HB3 GLU- 75 1.754% * 1.2496% (0.40 1.0 0.49 0.02) = 1.250% kept HA LEU 90 - HB3 GLU- 75 1.754% * 1.2238% (0.29 1.0 0.65 0.39) = 1.224% kept HA ALA 11 - HB3 GLU- 75 1.754% * 0.6762% (0.19 1.0 0.54 0.02) = 0.676% HA PRO 59 - HB3 GLU- 64 1.754% * 0.3278% (0.11 1.0 0.46 0.02) = 0.328% HB3 SER 49 - HB3 GLU- 75 1.754% * 0.1355% (0.08 1.0 0.26 0.02) = 0.135% HA GLU- 56 - HB3 GLU- 64 1.754% * 0.0510% (0.39 1.0 0.02 0.02) = 0.051% HA PRO 52 - HB3 GLU- 75 1.754% * 0.0498% (0.38 1.0 0.02 0.02) = 0.050% HA ARG+ 84 - HB3 GLU- 75 1.754% * 0.0498% (0.38 1.0 0.02 0.02) = 0.050% HA SER 85 - HB3 GLU- 75 1.754% * 0.0498% (0.38 1.0 0.02 0.02) = 0.050% HA SER 85 - HB3 GLU- 64 1.754% * 0.0496% (0.38 1.0 0.02 0.02) = 0.050% HA ARG+ 84 - HB3 GLU- 64 1.754% * 0.0496% (0.38 1.0 0.02 0.02) = 0.050% HA PRO 52 - HB3 GLU- 64 1.754% * 0.0496% (0.38 1.0 0.02 0.02) = 0.050% HA VAL 94 - HB3 GLU- 75 1.754% * 0.0488% (0.38 1.0 0.02 0.02) = 0.049% HA VAL 94 - HB3 GLU- 64 1.754% * 0.0486% (0.38 1.0 0.02 0.02) = 0.049% HA GLU- 64 - HB3 GLU- 75 1.754% * 0.0476% (0.37 1.0 0.02 0.02) = 0.048% HA GLU- 75 - HB3 GLU- 64 1.754% * 0.0461% (0.36 1.0 0.02 0.02) = 0.046% HA VAL 122 - HB3 GLU- 75 1.754% * 0.0413% (0.32 1.0 0.02 0.02) = 0.041% HA VAL 122 - HB3 GLU- 64 1.754% * 0.0412% (0.32 1.0 0.02 0.02) = 0.041% HA LEU 90 - HB3 GLU- 64 1.754% * 0.0373% (0.29 1.0 0.02 0.02) = 0.037% HA ASN 119 - HB3 GLU- 75 1.754% * 0.0313% (0.24 1.0 0.02 0.02) = 0.031% HA GLU- 107 - HB3 GLU- 75 1.754% * 0.0313% (0.24 1.0 0.02 0.02) = 0.031% HA ASN 119 - HB3 GLU- 64 1.754% * 0.0312% (0.24 1.0 0.02 0.02) = 0.031% HA GLU- 107 - HB3 GLU- 64 1.754% * 0.0312% (0.24 1.0 0.02 0.02) = 0.031% HA ASN 76 - HB3 GLU- 64 1.754% * 0.0291% (0.22 1.0 0.02 0.02) = 0.029% HB3 CYS 121 - HB3 GLU- 75 1.754% * 0.0271% (0.21 1.0 0.02 0.02) = 0.027% HB3 CYS 121 - HB3 GLU- 64 1.754% * 0.0271% (0.21 1.0 0.02 0.02) = 0.027% HA ALA 11 - HB3 GLU- 64 1.754% * 0.0250% (0.19 1.0 0.02 0.02) = 0.025% HA THR 106 - HB3 GLU- 75 1.754% * 0.0212% (0.16 1.0 0.02 0.02) = 0.021% HA THR 106 - HB3 GLU- 64 1.754% * 0.0211% (0.16 1.0 0.02 0.02) = 0.021% HA CYS 121 - HB3 GLU- 75 1.754% * 0.0194% (0.15 1.0 0.02 0.02) = 0.019% HA CYS 121 - HB3 GLU- 64 1.754% * 0.0193% (0.15 1.0 0.02 0.02) = 0.019% HA GLU- 56 - HB2 GLU- 18 1.754% * 0.0191% (0.15 1.0 0.02 0.02) = 0.019% HA SER 85 - HB2 GLU- 18 1.754% * 0.0186% (0.14 1.0 0.02 2.22) = 0.019% HA PRO 52 - HB2 GLU- 18 1.754% * 0.0186% (0.14 1.0 0.02 0.02) = 0.019% HA ARG+ 84 - HB2 GLU- 18 1.754% * 0.0186% (0.14 1.0 0.02 3.02) = 0.019% * HA VAL 94 - HB2 GLU- 18 1.754% * 0.0182% (0.14 1.0 0.02 3.64) = 0.018% HA GLU- 64 - HB2 GLU- 18 1.754% * 0.0178% (0.14 1.0 0.02 0.02) = 0.018% HA GLU- 75 - HB2 GLU- 18 1.754% * 0.0173% (0.13 1.0 0.02 0.02) = 0.017% HA VAL 122 - HB2 GLU- 18 1.754% * 0.0154% (0.12 1.0 0.02 0.02) = 0.015% HA PRO 59 - HB3 GLU- 75 1.754% * 0.0143% (0.11 1.0 0.02 0.22) = 0.014% HA LEU 90 - HB2 GLU- 18 1.754% * 0.0140% (0.11 1.0 0.02 0.02) = 0.014% HA ASN 119 - HB2 GLU- 18 1.754% * 0.0117% (0.09 1.0 0.02 0.02) = 0.012% HA GLU- 107 - HB2 GLU- 18 1.754% * 0.0117% (0.09 1.0 0.02 0.02) = 0.012% HA ASN 76 - HB2 GLU- 18 1.754% * 0.0109% (0.08 1.0 0.02 0.02) = 0.011% HB3 SER 49 - HB3 GLU- 64 1.754% * 0.0103% (0.08 1.0 0.02 0.82) = 0.010% HA ASP- 36 - HB3 GLU- 75 1.754% * 0.0102% (0.08 1.0 0.02 0.02) = 0.010% HA ASP- 36 - HB3 GLU- 64 1.754% * 0.0102% (0.08 1.0 0.02 0.02) = 0.010% HB3 CYS 121 - HB2 GLU- 18 1.754% * 0.0101% (0.08 1.0 0.02 0.22) = 0.010% HA ALA 11 - HB2 GLU- 18 1.754% * 0.0094% (0.07 1.0 0.02 0.02) = 0.009% HA THR 106 - HB2 GLU- 18 1.754% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HA CYS 121 - HB2 GLU- 18 1.754% * 0.0072% (0.06 1.0 0.02 0.22) = 0.007% HA PRO 59 - HB2 GLU- 18 1.754% * 0.0054% (0.04 1.0 0.02 0.02) = 0.005% HB3 SER 49 - HB2 GLU- 18 1.754% * 0.0039% (0.03 1.0 0.02 0.02) = 0.004% HA ASP- 36 - HB2 GLU- 18 1.754% * 0.0038% (0.03 1.0 0.02 0.02) = 0.004% Reference assignment eliminated. Peak 2127 (3.16, 3.15, 31.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2128 (3.16, 1.77, 31.53 ppm): 3 chemical-shift based assignments, quality = 0.169, support = 1.69, residual support = 2.95: T HD3 ARG+ 84 - HB3 GLU- 18 33.333% * 96.5637% (0.17 10.00 1.73 3.02) = 96.564% kept HB3 PHE 34 - HB3 GLU- 18 33.333% * 3.3573% (0.23 1.00 0.44 0.90) = 3.357% kept HB3 HIS+ 98 - HB3 GLU- 18 33.333% * 0.0790% (0.12 1.00 0.02 0.02) = 0.079% Reference assignment not found: HD3 ARG+ 84 - HB2 ARG+ 84 Not enough quality. Peak unassigned. Peak 2129 (2.20, 1.76, 31.42 ppm): 15 chemical-shift based assignments, quality = 0.183, support = 3.91, residual support = 49.9: * O HG3 GLU- 18 - HB3 GLU- 18 6.667% * 92.6900% (0.18 10.0 1.00 4.19 53.83) = 92.690% kept HG2 PRO 112 - HB3 GLU- 18 6.667% * 4.7066% (0.36 1.0 1.00 0.50 0.12) = 4.707% kept T HA1 GLY 58 - HB3 GLU- 18 6.667% * 1.3080% (0.25 1.0 10.00 0.02 0.02) = 1.308% kept T HB3 GLU- 75 - HB3 GLU- 18 6.667% * 0.3263% (0.06 1.0 10.00 0.02 0.02) = 0.326% HG2 MET 126 - HB3 GLU- 18 6.667% * 0.1708% (0.32 1.0 1.00 0.02 0.02) = 0.171% HG3 MET 126 - HB3 GLU- 18 6.667% * 0.1525% (0.29 1.0 1.00 0.02 0.02) = 0.152% HG3 MET 97 - HB3 GLU- 18 6.667% * 0.1308% (0.25 1.0 1.00 0.02 0.02) = 0.131% HB2 GLU- 50 - HB3 GLU- 18 6.667% * 0.1078% (0.20 1.0 1.00 0.02 0.02) = 0.108% HB VAL 99 - HB3 GLU- 18 6.667% * 0.0783% (0.15 1.0 1.00 0.02 0.02) = 0.078% HB3 PRO 104 - HB3 GLU- 18 6.667% * 0.0715% (0.14 1.0 1.00 0.02 0.02) = 0.071% HG3 GLN 102 - HB3 GLU- 18 6.667% * 0.0715% (0.14 1.0 1.00 0.02 0.77) = 0.071% HB2 PRO 52 - HB3 GLU- 18 6.667% * 0.0529% (0.10 1.0 1.00 0.02 0.02) = 0.053% HG3 GLU- 109 - HB3 GLU- 18 6.667% * 0.0529% (0.10 1.0 1.00 0.02 0.02) = 0.053% HB2 ASP- 82 - HB3 GLU- 18 6.667% * 0.0424% (0.08 1.0 1.00 0.02 0.02) = 0.042% HG2 GLN 102 - HB3 GLU- 18 6.667% * 0.0377% (0.07 1.0 1.00 0.02 0.77) = 0.038% Peak 2130 (2.05, 1.77, 31.43 ppm): 14 chemical-shift based assignments, quality = 0.217, support = 0.282, residual support = 0.0411: T HB3 PRO 31 - HB3 GLU- 18 7.143% * 54.9258% (0.13 10.00 0.29 0.02) = 54.926% kept HG2 PRO 112 - HB3 GLU- 18 7.143% * 22.7289% (0.32 1.00 0.50 0.12) = 22.729% kept T HB3 GLU- 75 - HB3 GLU- 18 7.143% * 9.3769% (0.33 10.00 0.02 0.02) = 9.377% kept HG3 PRO 86 - HB3 GLU- 18 7.143% * 5.3392% (0.47 1.00 0.08 0.02) = 5.339% kept HB3 GLU- 54 - HB3 GLU- 18 7.143% * 2.4657% (0.21 1.00 0.08 0.02) = 2.466% kept HB2 GLU- 45 - HB3 GLU- 18 7.143% * 1.3215% (0.46 1.00 0.02 0.02) = 1.321% kept HB3 LYS+ 110 - HB3 GLU- 18 7.143% * 1.0795% (0.38 1.00 0.02 0.02) = 1.080% kept HG3 GLU- 64 - HB3 GLU- 18 7.143% * 0.6562% (0.23 1.00 0.02 0.02) = 0.656% HB3 GLU- 10 - HB3 GLU- 18 7.143% * 0.4599% (0.16 1.00 0.02 0.02) = 0.460% HB3 GLU- 64 - HB3 GLU- 18 7.143% * 0.4599% (0.16 1.00 0.02 0.02) = 0.460% HB VAL 62 - HB3 GLU- 18 7.143% * 0.4599% (0.16 1.00 0.02 0.02) = 0.460% HB ILE 101 - HB3 GLU- 18 7.143% * 0.3362% (0.12 1.00 0.02 0.52) = 0.336% HB3 GLU- 107 - HB3 GLU- 18 7.143% * 0.2080% (0.07 1.00 0.02 0.02) = 0.208% HG2 PRO 116 - HB3 GLU- 18 7.143% * 0.1825% (0.06 1.00 0.02 0.02) = 0.182% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2132 (1.76, 2.02, 31.43 ppm): 22 chemical-shift based assignments, quality = 0.282, support = 2.67, residual support = 43.7: * O HB3 GLU- 18 - HB2 GLU- 18 4.545% * 66.6226% (0.23 10.0 1.00 2.52 53.83) = 66.623% kept HB2 LEU 17 - HB2 GLU- 18 4.545% * 23.7935% (0.43 1.0 1.00 3.89 33.06) = 23.794% kept HD3 PRO 59 - HB3 GLU- 75 4.545% * 4.7844% (0.41 1.0 1.00 0.82 0.22) = 4.784% kept HB ILE 48 - HB3 GLU- 75 4.545% * 2.6046% (0.23 1.0 1.00 0.79 0.02) = 2.605% kept HB2 LEU 17 - HB3 GLU- 75 4.545% * 0.6419% (0.39 1.0 1.00 0.11 0.20) = 0.642% T HB3 GLU- 18 - HB3 GLU- 75 4.545% * 0.6157% (0.21 1.0 10.00 0.02 0.02) = 0.616% HD3 PRO 59 - HB2 GLU- 18 4.545% * 0.1266% (0.44 1.0 1.00 0.02 0.02) = 0.127% HB2 LYS+ 117 - HB2 GLU- 18 4.545% * 0.0968% (0.34 1.0 1.00 0.02 0.02) = 0.097% HB3 LEU 23 - HB2 GLU- 18 4.545% * 0.0920% (0.32 1.0 1.00 0.02 0.02) = 0.092% HB2 LYS+ 117 - HB3 GLU- 75 4.545% * 0.0894% (0.31 1.0 1.00 0.02 0.02) = 0.089% HB3 LEU 23 - HB3 GLU- 75 4.545% * 0.0850% (0.30 1.0 1.00 0.02 0.02) = 0.085% HB ILE 48 - HB2 GLU- 18 4.545% * 0.0717% (0.25 1.0 1.00 0.02 0.02) = 0.072% HG2 ARG+ 84 - HB2 GLU- 18 4.545% * 0.0616% (0.21 1.0 1.00 0.02 3.02) = 0.062% HG2 ARG+ 84 - HB3 GLU- 75 4.545% * 0.0570% (0.20 1.0 1.00 0.02 0.02) = 0.057% HB2 ARG+ 84 - HB2 GLU- 18 4.545% * 0.0568% (0.20 1.0 1.00 0.02 3.02) = 0.057% HB2 ARG+ 84 - HB3 GLU- 75 4.545% * 0.0525% (0.18 1.0 1.00 0.02 0.02) = 0.052% HG3 ARG+ 53 - HB2 GLU- 18 4.545% * 0.0352% (0.12 1.0 1.00 0.02 0.02) = 0.035% HG3 ARG+ 53 - HB3 GLU- 75 4.545% * 0.0325% (0.11 1.0 1.00 0.02 0.02) = 0.033% HG3 LYS+ 63 - HB2 GLU- 18 4.545% * 0.0222% (0.08 1.0 1.00 0.02 0.02) = 0.022% HG3 LYS+ 63 - HB3 GLU- 75 4.545% * 0.0205% (0.07 1.0 1.00 0.02 0.02) = 0.020% HG2 PRO 31 - HB2 GLU- 18 4.545% * 0.0195% (0.07 1.0 1.00 0.02 0.02) = 0.020% HG2 PRO 31 - HB3 GLU- 75 4.545% * 0.0181% (0.06 1.0 1.00 0.02 0.02) = 0.018% Peak 2133 (1.12, 4.36, 72.96 ppm): 5 chemical-shift based assignments, quality = 0.898, support = 3.59, residual support = 16.9: * O QG2 THR 61 - HB THR 61 20.000% * 96.3723% (0.92 10.0 3.68 17.56) = 96.372% kept QG2 THR 79 - HB THR 61 20.000% * 3.4649% (0.45 1.0 1.47 0.80) = 3.465% kept HD3 LYS+ 111 - HB THR 61 20.000% * 0.0773% (0.73 1.0 0.02 0.02) = 0.077% HG3 LYS+ 32 - HB THR 61 20.000% * 0.0663% (0.63 1.0 0.02 0.40) = 0.066% QB ALA 33 - HB THR 61 20.000% * 0.0191% (0.18 1.0 0.02 0.02) = 0.019% Peak 2134 (0.96, 4.36, 72.99 ppm): 7 chemical-shift based assignments, quality = 0.595, support = 1.78, residual support = 9.93: * QG2 VAL 62 - HB THR 61 14.286% * 54.6428% (0.50 2.72 18.09) = 54.643% kept QG2 VAL 99 - HB THR 61 14.286% * 21.1235% (0.88 0.60 0.02) = 21.123% kept QG2 ILE 29 - HB THR 61 14.286% * 19.7081% (0.64 0.77 0.20) = 19.708% kept QG1 VAL 105 - HB THR 61 14.286% * 2.1638% (0.22 0.24 0.02) = 2.164% kept QG2 VAL 105 - HB THR 61 14.286% * 1.7173% (0.18 0.24 0.02) = 1.717% kept QG2 VAL 73 - HB THR 61 14.286% * 0.4867% (0.61 0.02 0.02) = 0.487% QD1 LEU 17 - HB THR 61 14.286% * 0.1578% (0.20 0.02 0.02) = 0.158% Peak 2135 (0.83, 1.76, 31.44 ppm): 8 chemical-shift based assignments, quality = 0.289, support = 2.35, residual support = 13.0: * QG1 VAL 94 - HB3 GLU- 18 12.500% * 46.8722% (0.31 2.87 3.64) = 46.872% kept QD2 LEU 17 - HB3 GLU- 18 12.500% * 34.0394% (0.25 2.58 33.06) = 34.039% kept QG1 VAL 13 - HB3 GLU- 18 12.500% * 14.1124% (0.33 0.82 0.02) = 14.112% kept HG2 LYS+ 117 - HB3 GLU- 18 12.500% * 4.0709% (0.29 0.27 0.02) = 4.071% kept QD1 ILE 29 - HB3 GLU- 18 12.500% * 0.3424% (0.33 0.02 0.02) = 0.342% QD2 LEU 90 - HB3 GLU- 18 12.500% * 0.2235% (0.21 0.02 0.02) = 0.224% QG2 VAL 13 - HB3 GLU- 18 12.500% * 0.2096% (0.20 0.02 0.02) = 0.210% QD2 LEU 67 - HB3 GLU- 18 12.500% * 0.1297% (0.12 0.02 0.02) = 0.130% Peak 2136 (0.71, 2.02, 31.69 ppm): 24 chemical-shift based assignments, quality = 0.36, support = 2.16, residual support = 11.2: T QG2 ILE 101 - HB3 GLU- 75 4.167% * 38.8797% (0.36 10.00 1.77 1.34) = 38.880% kept T QG2 VAL 65 - HB3 GLU- 64 4.167% * 19.1029% (0.16 10.00 2.98 26.48) = 19.103% kept QG1 VAL 65 - HB3 GLU- 64 4.167% * 16.2839% (0.64 1.00 4.11 26.48) = 16.284% kept T QG2 ILE 68 - HB3 GLU- 75 4.167% * 4.6476% (0.15 10.00 0.50 0.02) = 4.648% kept HG LEU 74 - HB3 GLU- 75 4.167% * 4.3319% (0.26 1.00 2.66 27.89) = 4.332% kept T QG2 VAL 94 - HB3 GLU- 75 4.167% * 4.2081% (0.15 10.00 0.46 0.02) = 4.208% kept QG2 ILE 48 - HB3 GLU- 64 4.167% * 4.1156% (0.63 1.00 1.06 3.02) = 4.116% kept QG2 ILE 101 - HB3 GLU- 64 4.167% * 3.0476% (0.68 1.00 0.72 0.02) = 3.048% kept QG2 THR 96 - HB3 GLU- 64 4.167% * 2.2116% (0.70 1.00 0.52 0.02) = 2.212% kept QG2 ILE 48 - HB3 GLU- 75 4.167% * 0.7363% (0.33 1.00 0.36 0.02) = 0.736% QG1 VAL 40 - HB3 GLU- 75 4.167% * 0.6834% (0.11 1.00 0.99 0.85) = 0.683% QD1 ILE 68 - HB3 GLU- 64 4.167% * 0.5362% (0.19 1.00 0.45 0.02) = 0.536% T QG2 THR 96 - HB3 GLU- 75 4.167% * 0.4470% (0.36 10.00 0.02 0.02) = 0.447% QD1 ILE 68 - HB3 GLU- 75 4.167% * 0.2357% (0.10 1.00 0.38 0.02) = 0.236% QG1 VAL 65 - HB3 GLU- 75 4.167% * 0.1608% (0.34 1.00 0.08 0.02) = 0.161% T QG2 VAL 65 - HB3 GLU- 75 4.167% * 0.0997% (0.08 10.00 0.02 0.02) = 0.100% HG LEU 74 - HB3 GLU- 64 4.167% * 0.0623% (0.51 1.00 0.02 0.02) = 0.062% QD1 ILE 19 - HB3 GLU- 64 4.167% * 0.0418% (0.34 1.00 0.02 0.02) = 0.042% QG2 VAL 94 - HB3 GLU- 64 4.167% * 0.0353% (0.29 1.00 0.02 0.02) = 0.035% QG2 ILE 68 - HB3 GLU- 64 4.167% * 0.0353% (0.29 1.00 0.02 0.02) = 0.035% HG12 ILE 19 - HB3 GLU- 64 4.167% * 0.0322% (0.26 1.00 0.02 0.02) = 0.032% QG1 VAL 40 - HB3 GLU- 64 4.167% * 0.0265% (0.22 1.00 0.02 0.02) = 0.026% QD1 ILE 19 - HB3 GLU- 75 4.167% * 0.0218% (0.18 1.00 0.02 0.02) = 0.022% HG12 ILE 19 - HB3 GLU- 75 4.167% * 0.0168% (0.14 1.00 0.02 0.02) = 0.017% Peak 2137 (8.72, 2.49, 31.14 ppm): 3 chemical-shift based assignments, quality = 0.575, support = 3.3, residual support = 39.8: * O HN VAL 40 - HB VAL 40 33.333% * 92.2067% (0.56 10.0 3.52 43.10) = 92.207% kept HN ILE 101 - HB VAL 40 33.333% * 4.5001% (0.68 1.0 0.80 0.59) = 4.500% kept HN GLU- 56 - HB VAL 40 33.333% * 3.2933% (0.72 1.0 0.56 0.53) = 3.293% kept Peak 2140 (7.33, 2.15, 31.04 ppm): 18 chemical-shift based assignments, quality = 0.825, support = 4.6, residual support = 65.2: * O HN VAL 47 - HB VAL 47 5.556% * 81.7671% (0.82 10.0 5.39 78.85) = 81.767% kept QD PHE 34 - HB VAL 47 5.556% * 6.3838% (0.88 1.0 1.45 4.08) = 6.384% kept QE PHE 34 - HB VAL 47 5.556% * 5.7922% (0.93 1.0 1.25 4.08) = 5.792% kept HZ PHE 34 - HB VAL 47 5.556% * 2.3181% (0.93 1.0 0.50 4.08) = 2.318% kept HZ2 TRP 51 - HB VAL 47 5.556% * 2.2062% (0.93 1.0 0.48 4.00) = 2.206% kept HN VAL 47 - HB3 GLU- 75 5.556% * 0.8688% (0.48 1.0 0.37 0.02) = 0.869% HN ARG+ 84 - HB VAL 47 5.556% * 0.3060% (0.79 1.0 0.08 0.02) = 0.306% HZ2 TRP 51 - HB3 GLU- 75 5.556% * 0.0536% (0.54 1.0 0.02 0.02) = 0.054% HZ PHE 34 - HB3 GLU- 75 5.556% * 0.0536% (0.54 1.0 0.02 0.02) = 0.054% QE PHE 34 - HB3 GLU- 75 5.556% * 0.0536% (0.54 1.0 0.02 0.02) = 0.054% QD PHE 34 - HB3 GLU- 75 5.556% * 0.0508% (0.51 1.0 0.02 0.02) = 0.051% HN ARG+ 84 - HB3 GLU- 75 5.556% * 0.0454% (0.46 1.0 0.02 0.02) = 0.045% HZ2 TRP 51 - HB2 GLU- 56 5.556% * 0.0177% (0.18 1.0 0.02 0.19) = 0.018% HZ PHE 34 - HB2 GLU- 56 5.556% * 0.0177% (0.18 1.0 0.02 0.96) = 0.018% QE PHE 34 - HB2 GLU- 56 5.556% * 0.0177% (0.18 1.0 0.02 0.96) = 0.018% QD PHE 34 - HB2 GLU- 56 5.556% * 0.0168% (0.17 1.0 0.02 0.96) = 0.017% HN VAL 47 - HB2 GLU- 56 5.556% * 0.0157% (0.16 1.0 0.02 0.02) = 0.016% HN ARG+ 84 - HB2 GLU- 56 5.556% * 0.0150% (0.15 1.0 0.02 0.02) = 0.015% Peak 2141 (4.70, 1.72, 31.19 ppm): 8 chemical-shift based assignments, quality = 0.965, support = 4.88, residual support = 63.5: * O HA GLN 16 - HB2 GLN 16 12.500% * 99.5954% (0.97 10.0 4.90 63.73) = 99.595% kept HA VAL 99 - HB2 GLN 16 12.500% * 0.0961% (0.94 1.0 0.02 0.02) = 0.096% HA THR 61 - HB2 GLN 16 12.500% * 0.0864% (0.84 1.0 0.02 0.02) = 0.086% HA THR 39 - HB2 GLN 16 12.500% * 0.0723% (0.70 1.0 0.02 0.02) = 0.072% HA2 GLY 30 - HB2 GLN 16 12.500% * 0.0644% (0.63 1.0 0.02 0.02) = 0.064% HA ASN 89 - HB2 GLN 16 12.500% * 0.0340% (0.33 1.0 0.02 0.02) = 0.034% HA LYS+ 20 - HB2 GLN 16 12.500% * 0.0340% (0.33 1.0 0.02 0.02) = 0.034% HA TYR 83 - HB2 GLN 16 12.500% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% Peak 2142 (4.69, 1.89, 31.14 ppm): 8 chemical-shift based assignments, quality = 0.76, support = 4.52, residual support = 63.5: * O HA GLN 16 - HB3 GLN 16 12.500% * 99.5965% (0.76 10.0 4.54 63.73) = 99.597% kept HA ASN 89 - HB3 GLN 16 12.500% * 0.0903% (0.69 1.0 0.02 0.02) = 0.090% HA VAL 99 - HB3 GLN 16 12.500% * 0.0805% (0.62 1.0 0.02 0.02) = 0.080% HA THR 61 - HB3 GLN 16 12.500% * 0.0605% (0.46 1.0 0.02 0.02) = 0.061% HA TYR 83 - HB3 GLN 16 12.500% * 0.0605% (0.46 1.0 0.02 0.02) = 0.061% HA THR 39 - HB3 GLN 16 12.500% * 0.0424% (0.33 1.0 0.02 0.02) = 0.042% HA2 GLY 30 - HB3 GLN 16 12.500% * 0.0346% (0.27 1.0 0.02 0.02) = 0.035% HA PRO 35 - HB3 GLN 16 12.500% * 0.0346% (0.27 1.0 0.02 0.02) = 0.035% Peak 2143 (4.26, 2.48, 31.16 ppm): 22 chemical-shift based assignments, quality = 0.854, support = 1.05, residual support = 1.1: HA GLU- 75 - HB VAL 40 4.545% * 27.9274% (0.97 1.26 0.85) = 27.927% kept HA ASN 119 - HB VAL 40 4.545% * 23.3124% (0.94 1.09 1.30) = 23.312% kept HA ASN 76 - HB VAL 40 4.545% * 22.6352% (0.91 1.08 2.07) = 22.635% kept HA GLU- 56 - HB VAL 40 4.545% * 17.2705% (0.86 0.88 0.53) = 17.271% kept HA ALA 42 - HB VAL 40 4.545% * 4.9431% (0.22 0.98 0.02) = 4.943% kept HA GLU- 64 - HB VAL 40 4.545% * 0.4380% (0.95 0.02 0.02) = 0.438% HA GLU- 107 - HB VAL 40 4.545% * 0.4293% (0.94 0.02 0.02) = 0.429% HA ALA 11 - HB VAL 40 4.545% * 0.3937% (0.86 0.02 0.02) = 0.394% HA SER 85 - HB VAL 40 4.545% * 0.2936% (0.64 0.02 0.02) = 0.294% HA ARG+ 84 - HB VAL 40 4.545% * 0.2936% (0.64 0.02 0.02) = 0.294% HA PRO 52 - HB VAL 40 4.545% * 0.2936% (0.64 0.02 0.02) = 0.294% HA PRO 59 - HB VAL 40 4.545% * 0.2936% (0.64 0.02 0.92) = 0.294% HA VAL 94 - HB VAL 40 4.545% * 0.2753% (0.60 0.02 0.02) = 0.275% HA VAL 122 - HB VAL 40 4.545% * 0.1866% (0.41 0.02 0.02) = 0.187% HA LYS+ 108 - HB VAL 40 4.545% * 0.1703% (0.37 0.02 0.02) = 0.170% HA GLU- 10 - HB VAL 40 4.545% * 0.1703% (0.37 0.02 0.02) = 0.170% HA GLU- 54 - HB VAL 40 4.545% * 0.1703% (0.37 0.02 0.02) = 0.170% HA LEU 90 - HB VAL 40 4.545% * 0.1548% (0.34 0.02 0.02) = 0.155% HB3 SER 49 - HB VAL 40 4.545% * 0.1174% (0.26 0.02 0.02) = 0.117% HB3 CYS 121 - HB VAL 40 4.545% * 0.0898% (0.20 0.02 0.02) = 0.090% HA SER 49 - HB VAL 40 4.545% * 0.0795% (0.17 0.02 0.02) = 0.079% HA THR 106 - HB VAL 40 4.545% * 0.0614% (0.13 0.02 0.02) = 0.061% Peak 2146 (1.89, 1.89, 31.12 ppm): 1 diagonal assignment: * HB3 GLN 16 - HB3 GLN 16 (0.93) kept Peak 2147 (1.69, 1.48, 31.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2148 (1.52, 1.74, 31.23 ppm): 8 chemical-shift based assignments, quality = 0.106, support = 0.819, residual support = 0.884: QG2 THR 24 - HB2 GLN 16 12.500% * 75.7390% (0.07 1.08 1.16) = 75.739% kept HG3 LYS+ 72 - HB2 GLN 16 12.500% * 5.5264% (0.29 0.02 0.02) = 5.526% kept HB2 LYS+ 72 - HB2 GLN 16 12.500% * 4.5549% (0.24 0.02 0.02) = 4.555% kept HG3 LYS+ 72 - HB3 GLU- 18 12.500% * 3.8701% (0.20 0.02 0.02) = 3.870% kept HD3 LYS+ 108 - HB2 GLN 16 12.500% * 3.6070% (0.19 0.02 0.02) = 3.607% kept HB2 LYS+ 72 - HB3 GLU- 18 12.500% * 3.1898% (0.17 0.02 0.02) = 3.190% kept HD3 LYS+ 108 - HB3 GLU- 18 12.500% * 2.5260% (0.13 0.02 0.02) = 2.526% kept QG2 THR 24 - HB3 GLU- 18 12.500% * 0.9867% (0.05 0.02 0.02) = 0.987% Not enough quality. Peak unassigned. Peak 2150 (0.90, 2.48, 31.14 ppm): 10 chemical-shift based assignments, quality = 0.95, support = 3.34, residual support = 42.2: * O QG2 VAL 40 - HB VAL 40 10.000% * 97.8764% (0.96 10.0 3.40 43.10) = 97.876% kept QG1 VAL 80 - HB VAL 40 10.000% * 1.5975% (0.74 1.0 0.42 0.12) = 1.598% kept QG1 VAL 47 - HB VAL 40 10.000% * 0.0988% (0.97 1.0 0.02 0.02) = 0.099% QG2 VAL 87 - HB VAL 40 10.000% * 0.0979% (0.96 1.0 0.02 0.02) = 0.098% QD1 LEU 67 - HB VAL 40 10.000% * 0.0979% (0.96 1.0 0.02 0.02) = 0.098% HG3 LYS+ 117 - HB VAL 40 10.000% * 0.0953% (0.93 1.0 0.02 0.02) = 0.095% QG2 VAL 125 - HB VAL 40 10.000% * 0.0406% (0.40 1.0 0.02 0.02) = 0.041% QG2 VAL 80 - HB VAL 40 10.000% * 0.0406% (0.40 1.0 0.02 0.12) = 0.041% HG3 LYS+ 110 - HB VAL 40 10.000% * 0.0305% (0.30 1.0 0.02 0.02) = 0.030% HG12 ILE 68 - HB VAL 40 10.000% * 0.0246% (0.24 1.0 0.02 0.02) = 0.025% Peak 2151 (0.73, 2.48, 31.15 ppm): 9 chemical-shift based assignments, quality = 0.93, support = 3.94, residual support = 42.4: * O QG1 VAL 40 - HB VAL 40 11.111% * 98.3971% (0.94 10.0 4.00 43.10) = 98.397% kept QG2 ILE 101 - HB VAL 40 11.111% * 1.0634% (0.43 1.0 0.47 0.59) = 1.063% kept QG2 VAL 65 - HB VAL 40 11.111% * 0.1031% (0.99 1.0 0.02 0.02) = 0.103% QD1 ILE 68 - HB VAL 40 11.111% * 0.1004% (0.96 1.0 0.02 0.02) = 0.100% HG3 LYS+ 66 - HB VAL 40 11.111% * 0.0984% (0.94 1.0 0.02 0.02) = 0.098% HG3 LYS+ 44 - HB VAL 40 11.111% * 0.0984% (0.94 1.0 0.02 0.30) = 0.098% QG2 ILE 48 - HB VAL 40 11.111% * 0.0643% (0.61 1.0 0.02 0.02) = 0.064% HG LEU 74 - HB VAL 40 11.111% * 0.0589% (0.56 1.0 0.02 11.48) = 0.059% QG2 THR 96 - HB VAL 40 11.111% * 0.0160% (0.15 1.0 0.02 0.02) = 0.016% Peak 2153 (8.92, 1.90, 30.88 ppm): 16 chemical-shift based assignments, quality = 0.366, support = 3.8, residual support = 26.7: * O HN GLN 102 - HB3 GLN 102 6.250% * 96.9108% (0.37 10.0 3.90 27.58) = 96.911% kept HN ARG+ 22 - HB3 GLN 102 6.250% * 2.6925% (0.26 1.0 0.78 0.11) = 2.693% kept HN PHE 21 - HB3 GLN 102 6.250% * 0.1043% (0.40 1.0 0.02 0.02) = 0.104% HN THR 96 - HB3 GLN 102 6.250% * 0.0826% (0.32 1.0 0.02 0.02) = 0.083% HN PHE 21 - HB3 GLN 16 6.250% * 0.0336% (0.13 1.0 0.02 0.02) = 0.034% HN GLN 102 - HB3 GLN 16 6.250% * 0.0312% (0.12 1.0 0.02 1.68) = 0.031% HN THR 96 - HB3 GLN 16 6.250% * 0.0266% (0.10 1.0 0.02 0.02) = 0.027% HN ARG+ 22 - HB3 GLN 16 6.250% * 0.0222% (0.08 1.0 0.02 0.02) = 0.022% HN PHE 21 - HB2 GLU- 75 6.250% * 0.0208% (0.08 1.0 0.02 0.02) = 0.021% HN GLN 102 - HB2 GLU- 75 6.250% * 0.0193% (0.07 1.0 0.02 0.55) = 0.019% HN THR 96 - HB2 GLU- 75 6.250% * 0.0164% (0.06 1.0 0.02 0.02) = 0.016% HN ARG+ 22 - HB2 GLU- 75 6.250% * 0.0138% (0.05 1.0 0.02 0.02) = 0.014% HN PHE 21 - HB2 GLU- 10 6.250% * 0.0077% (0.03 1.0 0.02 0.02) = 0.008% HN GLN 102 - HB2 GLU- 10 6.250% * 0.0071% (0.03 1.0 0.02 0.02) = 0.007% HN THR 96 - HB2 GLU- 10 6.250% * 0.0061% (0.02 1.0 0.02 0.02) = 0.006% HN ARG+ 22 - HB2 GLU- 10 6.250% * 0.0051% (0.02 1.0 0.02 0.51) = 0.005% Peak 2154 (8.78, 2.11, 30.80 ppm): 12 chemical-shift based assignments, quality = 0.736, support = 1.19, residual support = 1.31: HN THR 95 - HB2 GLU- 56 8.333% * 31.4255% (0.94 1.40 2.82) = 31.425% kept HN SER 69 - HB2 GLU- 56 8.333% * 22.0992% (0.85 1.09 0.92) = 22.099% kept HN SER 69 - HB3 GLU- 75 8.333% * 20.6182% (0.61 1.42 0.43) = 20.618% kept HN PHE 34 - HB2 GLU- 56 8.333% * 13.4010% (0.50 1.13 0.96) = 13.401% kept HN THR 95 - HB3 GLU- 75 8.333% * 6.3368% (0.67 0.39 0.02) = 6.337% kept HN VAL 62 - HB2 GLU- 56 8.333% * 5.3717% (0.32 0.70 0.02) = 5.372% kept HN SER 69 - HB VAL 47 8.333% * 0.3952% (0.07 0.23 0.02) = 0.395% HN PHE 34 - HB3 GLU- 75 8.333% * 0.1707% (0.36 0.02 0.02) = 0.171% HN VAL 62 - HB3 GLU- 75 8.333% * 0.1106% (0.23 0.02 0.02) = 0.111% HN THR 95 - HB VAL 47 8.333% * 0.0379% (0.08 0.02 0.02) = 0.038% HN PHE 34 - HB VAL 47 8.333% * 0.0201% (0.04 0.02 4.08) = 0.020% HN VAL 62 - HB VAL 47 8.333% * 0.0130% (0.03 0.02 0.02) = 0.013% Reference assignment not found: HN GLU- 56 - HB2 GLU- 56 Peak 2155 (8.77, 1.98, 30.81 ppm): 20 chemical-shift based assignments, quality = 0.703, support = 2.49, residual support = 1.88: HN THR 95 - HB3 GLU- 56 5.000% * 55.6950% (0.77 3.60 2.82) = 55.695% kept HN PHE 34 - HB3 GLU- 56 5.000% * 17.7206% (0.80 1.10 0.96) = 17.721% kept HN SER 69 - HB3 GLU- 56 5.000% * 13.7953% (0.58 1.18 0.92) = 13.795% kept HN VAL 62 - HB3 GLU- 56 5.000% * 8.3914% (0.62 0.67 0.02) = 8.391% kept HN SER 69 - HB2 GLU- 75 5.000% * 2.1308% (0.10 1.02 0.43) = 2.131% kept HN THR 95 - HB2 GLU- 18 5.000% * 1.6228% (0.03 2.67 0.02) = 1.623% kept HN PHE 34 - HB3 GLU- 109 5.000% * 0.1023% (0.25 0.02 0.02) = 0.102% HN THR 95 - HB3 GLU- 109 5.000% * 0.0981% (0.24 0.02 0.02) = 0.098% HN VAL 62 - HB3 GLU- 109 5.000% * 0.0792% (0.20 0.02 0.02) = 0.079% HN SER 69 - HB3 GLU- 109 5.000% * 0.0743% (0.18 0.02 0.02) = 0.074% HN PHE 34 - HB2 GLU- 75 5.000% * 0.0575% (0.14 0.02 0.02) = 0.057% HN THR 95 - HB2 GLU- 75 5.000% * 0.0551% (0.14 0.02 0.02) = 0.055% HN VAL 62 - HB2 GLU- 75 5.000% * 0.0445% (0.11 0.02 0.02) = 0.045% HN PHE 34 - HB2 HIS+ 14 5.000% * 0.0293% (0.07 0.02 0.02) = 0.029% HN THR 95 - HB2 HIS+ 14 5.000% * 0.0281% (0.07 0.02 0.02) = 0.028% HN VAL 62 - HB2 HIS+ 14 5.000% * 0.0227% (0.06 0.02 0.02) = 0.023% HN SER 69 - HB2 HIS+ 14 5.000% * 0.0213% (0.05 0.02 0.02) = 0.021% HN PHE 34 - HB2 GLU- 18 5.000% * 0.0127% (0.03 0.02 0.90) = 0.013% HN VAL 62 - HB2 GLU- 18 5.000% * 0.0098% (0.02 0.02 0.02) = 0.010% HN SER 69 - HB2 GLU- 18 5.000% * 0.0092% (0.02 0.02 0.02) = 0.009% Reference assignment not found: HN GLU- 56 - HB3 GLU- 56 Peak 2157 (4.47, 1.90, 30.85 ppm): 36 chemical-shift based assignments, quality = 0.746, support = 3.04, residual support = 26.1: * O HA GLN 102 - HB3 GLN 102 2.778% * 94.5184% (0.75 10.0 3.18 27.58) = 94.518% kept HA ILE 100 - HB3 GLN 102 2.778% * 3.8117% (0.75 1.0 0.81 0.14) = 3.812% kept HA LYS+ 32 - HB3 GLN 102 2.778% * 1.1168% (0.69 1.0 0.26 1.27) = 1.117% kept HA MET 126 - HB3 GLN 102 2.778% * 0.0956% (0.76 1.0 0.02 0.02) = 0.096% HA GLU- 50 - HB3 GLN 102 2.778% * 0.0507% (0.40 1.0 0.02 0.02) = 0.051% HA SER 77 - HB3 GLN 102 2.778% * 0.0396% (0.31 1.0 0.02 0.02) = 0.040% HA CYS 123 - HB3 GLN 102 2.778% * 0.0396% (0.31 1.0 0.02 0.02) = 0.040% HA MET 118 - HB3 GLN 102 2.778% * 0.0329% (0.26 1.0 0.02 0.02) = 0.033% HA MET 126 - HB3 GLN 16 2.778% * 0.0236% (0.19 1.0 0.02 0.02) = 0.024% HA GLN 102 - HB3 GLN 16 2.778% * 0.0234% (0.19 1.0 0.02 1.68) = 0.023% HA ILE 100 - HB3 GLN 16 2.778% * 0.0234% (0.19 1.0 0.02 0.02) = 0.023% HA LYS+ 32 - HB3 GLN 16 2.778% * 0.0214% (0.17 1.0 0.02 0.02) = 0.021% HA MET 126 - HB2 GLU- 75 2.778% * 0.0171% (0.14 1.0 0.02 0.02) = 0.017% HA ILE 100 - HB2 GLU- 75 2.778% * 0.0169% (0.13 1.0 0.02 0.02) = 0.017% HA GLN 102 - HB2 GLU- 75 2.778% * 0.0169% (0.13 1.0 0.02 0.55) = 0.017% HA LYS+ 32 - HB2 GLU- 75 2.778% * 0.0155% (0.12 1.0 0.02 0.02) = 0.015% HB THR 79 - HB3 GLN 102 2.778% * 0.0149% (0.12 1.0 0.02 0.02) = 0.015% HA GLU- 50 - HB3 GLN 16 2.778% * 0.0125% (0.10 1.0 0.02 0.88) = 0.013% HA CYS 123 - HB3 GLN 16 2.778% * 0.0098% (0.08 1.0 0.02 0.02) = 0.010% HA SER 77 - HB3 GLN 16 2.778% * 0.0098% (0.08 1.0 0.02 0.02) = 0.010% HA GLU- 50 - HB2 GLU- 75 2.778% * 0.0091% (0.07 1.0 0.02 0.43) = 0.009% HA MET 118 - HB3 GLN 16 2.778% * 0.0081% (0.06 1.0 0.02 0.02) = 0.008% HA MET 126 - HB2 GLU- 10 2.778% * 0.0080% (0.06 1.0 0.02 0.02) = 0.008% HA GLN 102 - HB2 GLU- 10 2.778% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HA ILE 100 - HB2 GLU- 10 2.778% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HA LYS+ 32 - HB2 GLU- 10 2.778% * 0.0072% (0.06 1.0 0.02 0.02) = 0.007% HA CYS 123 - HB2 GLU- 75 2.778% * 0.0071% (0.06 1.0 0.02 0.02) = 0.007% HA SER 77 - HB2 GLU- 75 2.778% * 0.0071% (0.06 1.0 0.02 0.02) = 0.007% HA MET 118 - HB2 GLU- 75 2.778% * 0.0059% (0.05 1.0 0.02 0.02) = 0.006% HA GLU- 50 - HB2 GLU- 10 2.778% * 0.0042% (0.03 1.0 0.02 0.02) = 0.004% HB THR 79 - HB3 GLN 16 2.778% * 0.0037% (0.03 1.0 0.02 0.02) = 0.004% HA SER 77 - HB2 GLU- 10 2.778% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% HA CYS 123 - HB2 GLU- 10 2.778% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% HA MET 118 - HB2 GLU- 10 2.778% * 0.0027% (0.02 1.0 0.02 0.02) = 0.003% HB THR 79 - HB2 GLU- 75 2.778% * 0.0027% (0.02 1.0 0.02 0.02) = 0.003% HB THR 79 - HB2 GLU- 10 2.778% * 0.0012% (0.01 1.0 0.02 0.02) = 0.001% Peak 2165 (1.67, 1.38, 30.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2166 (1.47, 1.67, 30.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2169 (0.90, 2.15, 31.04 ppm): 30 chemical-shift based assignments, quality = 0.883, support = 3.54, residual support = 63.7: * O QG1 VAL 47 - HB VAL 47 3.333% * 80.6245% (0.94 10.0 4.09 78.85) = 80.625% kept QG2 VAL 40 - HB3 GLU- 75 3.333% * 5.0702% (0.58 1.0 2.06 0.85) = 5.070% kept QD1 LEU 67 - HB VAL 47 3.333% * 4.2643% (0.95 1.0 1.05 0.45) = 4.264% kept QD1 LEU 67 - HB3 GLU- 75 3.333% * 3.9580% (0.60 1.0 1.55 0.26) = 3.958% kept QG1 VAL 47 - HB3 GLU- 75 3.333% * 2.3677% (0.59 1.0 0.94 0.02) = 2.368% kept QG1 VAL 80 - HB VAL 47 3.333% * 1.4275% (0.65 1.0 0.51 0.02) = 1.427% kept HG3 LYS+ 117 - HB3 GLU- 75 3.333% * 1.0270% (0.59 1.0 0.41 0.02) = 1.027% kept HG12 ILE 68 - HB3 GLU- 75 3.333% * 0.5246% (0.18 1.0 0.67 0.02) = 0.525% QG2 VAL 80 - HB3 GLU- 75 3.333% * 0.1092% (0.29 1.0 0.09 0.02) = 0.109% HG3 LYS+ 117 - HB VAL 47 3.333% * 0.0806% (0.94 1.0 0.02 0.02) = 0.081% QG2 VAL 40 - HB VAL 47 3.333% * 0.0785% (0.92 1.0 0.02 0.02) = 0.079% QG2 VAL 87 - HB VAL 47 3.333% * 0.0785% (0.92 1.0 0.02 0.02) = 0.079% QG2 VAL 87 - HB3 GLU- 75 3.333% * 0.0493% (0.58 1.0 0.02 0.02) = 0.049% QG2 VAL 80 - HB VAL 47 3.333% * 0.0396% (0.46 1.0 0.02 0.02) = 0.040% QG1 VAL 80 - HB3 GLU- 75 3.333% * 0.0351% (0.41 1.0 0.02 0.02) = 0.035% HG3 LYS+ 110 - HB VAL 47 3.333% * 0.0305% (0.36 1.0 0.02 0.02) = 0.031% QG2 VAL 125 - HB VAL 47 3.333% * 0.0277% (0.32 1.0 0.02 0.02) = 0.028% HG12 ILE 68 - HB VAL 47 3.333% * 0.0251% (0.29 1.0 0.02 0.02) = 0.025% QD1 LEU 67 - HB2 GLU- 56 3.333% * 0.0205% (0.24 1.0 0.02 0.02) = 0.020% HG3 LYS+ 117 - HB2 GLU- 56 3.333% * 0.0203% (0.24 1.0 0.02 0.02) = 0.020% QG1 VAL 47 - HB2 GLU- 56 3.333% * 0.0203% (0.24 1.0 0.02 0.02) = 0.020% QG2 VAL 40 - HB2 GLU- 56 3.333% * 0.0197% (0.23 1.0 0.02 0.53) = 0.020% QG2 VAL 87 - HB2 GLU- 56 3.333% * 0.0197% (0.23 1.0 0.02 0.02) = 0.020% HG3 LYS+ 110 - HB3 GLU- 75 3.333% * 0.0192% (0.22 1.0 0.02 0.02) = 0.019% QG2 VAL 125 - HB3 GLU- 75 3.333% * 0.0174% (0.20 1.0 0.02 0.02) = 0.017% QG1 VAL 80 - HB2 GLU- 56 3.333% * 0.0141% (0.16 1.0 0.02 0.02) = 0.014% QG2 VAL 80 - HB2 GLU- 56 3.333% * 0.0100% (0.12 1.0 0.02 0.02) = 0.010% HG3 LYS+ 110 - HB2 GLU- 56 3.333% * 0.0077% (0.09 1.0 0.02 0.02) = 0.008% QG2 VAL 125 - HB2 GLU- 56 3.333% * 0.0070% (0.08 1.0 0.02 0.02) = 0.007% HG12 ILE 68 - HB2 GLU- 56 3.333% * 0.0063% (0.07 1.0 0.02 0.02) = 0.006% Peak 2170 (0.74, 2.15, 31.19 ppm): 24 chemical-shift based assignments, quality = 0.561, support = 2.83, residual support = 17.9: QG2 ILE 48 - HB VAL 47 4.167% * 27.6325% (0.47 5.17 33.51) = 27.633% kept * HG3 LYS+ 44 - HB VAL 47 4.167% * 26.0467% (0.77 2.96 20.97) = 26.047% kept HG3 LYS+ 44 - HB3 GLU- 75 4.167% * 11.3642% (0.62 1.59 3.27) = 11.364% kept HG LEU 74 - HB3 GLU- 75 4.167% * 9.4691% (0.31 2.66 27.89) = 9.469% kept QG1 VAL 40 - HB3 GLU- 75 4.167% * 6.4755% (0.57 0.99 0.85) = 6.476% kept QG2 ILE 101 - HB3 GLU- 75 4.167% * 5.0389% (0.25 1.77 1.34) = 5.039% kept QG2 VAL 65 - HB VAL 47 4.167% * 3.1692% (0.75 0.37 0.02) = 3.169% kept HG3 LYS+ 66 - HB VAL 47 4.167% * 2.9594% (0.77 0.34 0.02) = 2.959% kept QD1 ILE 68 - HB3 GLU- 75 4.167% * 2.5514% (0.59 0.38 0.02) = 2.551% kept HG3 LYS+ 66 - HB3 GLU- 75 4.167% * 1.9168% (0.62 0.27 0.02) = 1.917% kept QG2 ILE 48 - HB3 GLU- 75 4.167% * 1.5751% (0.38 0.36 0.02) = 1.575% kept QG2 ILE 101 - HB VAL 47 4.167% * 1.1212% (0.30 0.32 0.02) = 1.121% kept QD1 ILE 68 - HB VAL 47 4.167% * 0.1658% (0.72 0.02 0.02) = 0.166% QG1 VAL 40 - HB VAL 47 4.167% * 0.1610% (0.70 0.02 0.02) = 0.161% QG2 VAL 65 - HB3 GLU- 75 4.167% * 0.1410% (0.61 0.02 0.02) = 0.141% HG LEU 74 - HB VAL 47 4.167% * 0.0874% (0.38 0.02 0.36) = 0.087% HG3 LYS+ 66 - HB2 GLU- 56 4.167% * 0.0197% (0.09 0.02 0.02) = 0.020% HG3 LYS+ 44 - HB2 GLU- 56 4.167% * 0.0197% (0.09 0.02 0.02) = 0.020% QG2 VAL 65 - HB2 GLU- 56 4.167% * 0.0194% (0.08 0.02 0.02) = 0.019% QD1 ILE 68 - HB2 GLU- 56 4.167% * 0.0185% (0.08 0.02 0.02) = 0.019% QG1 VAL 40 - HB2 GLU- 56 4.167% * 0.0180% (0.08 0.02 0.53) = 0.018% QG2 ILE 48 - HB2 GLU- 56 4.167% * 0.0119% (0.05 0.02 0.02) = 0.012% HG LEU 74 - HB2 GLU- 56 4.167% * 0.0098% (0.04 0.02 0.02) = 0.010% QG2 ILE 101 - HB2 GLU- 56 4.167% * 0.0078% (0.03 0.02 1.11) = 0.008% Peak 2171 (0.11, 2.15, 31.19 ppm): 3 chemical-shift based assignments, quality = 0.764, support = 3.38, residual support = 69.7: * O T QG2 VAL 47 - HB VAL 47 33.333% * 88.3537% (0.78 10.0 10.00 3.78 78.85) = 88.354% kept T QG2 VAL 47 - HB3 GLU- 75 33.333% * 11.5558% (0.62 1.0 10.00 0.33 0.02) = 11.556% kept T QG2 VAL 47 - HB2 GLU- 56 33.333% * 0.0905% (0.08 1.0 10.00 0.02 0.02) = 0.090% Peak 2172 (8.39, 2.01, 30.52 ppm): 10 chemical-shift based assignments, quality = 0.198, support = 2.56, residual support = 5.58: * HN LYS+ 108 - HB3 GLU- 107 10.000% * 93.6744% (0.19 2.73 5.96) = 93.674% kept HN GLY 71 - HB2 HIS+ 14 10.000% * 1.7315% (0.48 0.02 0.02) = 1.731% kept HN GLY 71 - HB3 GLU- 107 10.000% * 1.4981% (0.42 0.02 0.02) = 1.498% kept HN GLY 71 - HB3 GLU- 10 10.000% * 1.1995% (0.33 0.02 0.02) = 1.200% kept HN LYS+ 108 - HB2 HIS+ 14 10.000% * 0.7920% (0.22 0.02 0.02) = 0.792% HN LYS+ 108 - HB3 GLU- 10 10.000% * 0.5487% (0.15 0.02 0.02) = 0.549% HN GLY 71 - HB3 GLU- 75 10.000% * 0.2669% (0.07 0.02 0.02) = 0.267% HN LYS+ 108 - HB3 GLU- 75 10.000% * 0.1221% (0.03 0.02 0.02) = 0.122% HN GLY 71 - HB3 GLU- 56 10.000% * 0.1145% (0.03 0.02 0.02) = 0.115% HN LYS+ 108 - HB3 GLU- 56 10.000% * 0.0524% (0.01 0.02 0.02) = 0.052% Peak 2173 (8.29, 1.93, 30.53 ppm): 24 chemical-shift based assignments, quality = 0.461, support = 0.633, residual support = 0.107: HN ALA 91 - HB2 GLU- 10 4.167% * 31.6645% (0.78 0.53 0.02) = 31.664% kept HN ALA 91 - HB3 GLU- 109 4.167% * 25.0274% (0.32 1.02 0.29) = 25.027% kept HN ALA 91 - HB2 GLU- 75 4.167% * 19.9440% (0.36 0.71 0.12) = 19.944% kept HN ASN 89 - HB2 GLU- 75 4.167% * 9.1289% (0.33 0.36 0.02) = 9.129% kept HN VAL 99 - HB3 GLN 102 4.167% * 4.6742% (0.09 0.71 0.02) = 4.674% kept HN ASN 89 - HB3 GLU- 109 4.167% * 1.9329% (0.29 0.09 0.02) = 1.933% kept HN ASP- 28 - HB2 GLU- 10 4.167% * 1.4765% (0.96 0.02 0.02) = 1.476% kept HN ASN 89 - HB2 GLU- 10 4.167% * 1.0817% (0.71 0.02 0.02) = 1.082% kept HN ASP- 28 - HB2 GLU- 75 4.167% * 0.6925% (0.45 0.02 0.02) = 0.693% HN ASP- 28 - HB3 GLU- 109 4.167% * 0.6099% (0.40 0.02 0.02) = 0.610% HN ASP- 28 - HD3 LYS+ 63 4.167% * 0.4786% (0.31 0.02 0.02) = 0.479% HN ASP- 28 - HB3 GLN 102 4.167% * 0.4662% (0.30 0.02 0.02) = 0.466% HN VAL 99 - HB2 GLU- 10 4.167% * 0.4142% (0.27 0.02 0.02) = 0.414% HN ALA 91 - HD3 LYS+ 63 4.167% * 0.3866% (0.25 0.02 0.02) = 0.387% HN ALA 91 - HB3 GLN 102 4.167% * 0.3766% (0.25 0.02 0.02) = 0.377% HN ASN 89 - HD3 LYS+ 63 4.167% * 0.3506% (0.23 0.02 0.02) = 0.351% HN ASN 89 - HB3 GLN 102 4.167% * 0.3415% (0.22 0.02 0.02) = 0.342% HN VAL 99 - HB2 GLU- 75 4.167% * 0.1943% (0.13 0.02 0.02) = 0.194% HN VAL 99 - HB3 GLU- 109 4.167% * 0.1711% (0.11 0.02 0.02) = 0.171% HN ASP- 28 - HB3 ARG+ 53 4.167% * 0.1608% (0.10 0.02 0.02) = 0.161% HN VAL 99 - HD3 LYS+ 63 4.167% * 0.1342% (0.09 0.02 0.02) = 0.134% HN ALA 91 - HB3 ARG+ 53 4.167% * 0.1299% (0.08 0.02 0.02) = 0.130% HN ASN 89 - HB3 ARG+ 53 4.167% * 0.1178% (0.08 0.02 0.02) = 0.118% HN VAL 99 - HB3 ARG+ 53 4.167% * 0.0451% (0.03 0.02 0.02) = 0.045% Peak 2174 (7.03, 3.07, 30.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2175 (6.98, 3.03, 30.53 ppm): 1 chemical-shift based assignment, quality = 0.597, support = 0.02, residual support = 0.02: HD22 ASN 57 - HB3 HIS+ 14 100.000% *100.0000% (0.60 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 2176 (4.75, 3.20, 30.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2177 (4.75, 3.06, 30.41 ppm): 2 chemical-shift based assignments, quality = 0.0406, support = 0.687, residual support = 1.52: HA ASN 15 - HB3 HIS+ 14 50.000% * 97.8455% (0.04 0.70 1.56) = 97.845% kept HA LYS+ 20 - HB3 HIS+ 14 50.000% * 2.1545% (0.03 0.02 0.02) = 2.155% kept Not enough quality. Peak unassigned. Peak 2178 (4.58, 3.03, 30.52 ppm): 4 chemical-shift based assignments, quality = 0.767, support = 0.02, residual support = 0.02: HA LYS+ 78 - HB3 HIS+ 14 25.000% * 39.8694% (0.91 0.02 0.02) = 39.869% kept HA LYS+ 72 - HB3 HIS+ 14 25.000% * 38.7341% (0.89 0.02 0.02) = 38.734% kept HA ASP- 25 - HB3 HIS+ 14 25.000% * 14.7325% (0.34 0.02 0.02) = 14.732% kept HA LEU 17 - HB3 HIS+ 14 25.000% * 6.6640% (0.15 0.02 0.02) = 6.664% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 2179 (4.27, 2.11, 30.73 ppm): 66 chemical-shift based assignments, quality = 0.674, support = 3.26, residual support = 24.8: * O HA GLU- 56 - HB2 GLU- 56 1.515% * 52.2112% (0.78 10.0 3.87 28.94) = 52.211% kept O HA GLU- 75 - HB3 GLU- 75 1.515% * 39.8152% (0.59 10.0 2.97 24.11) = 39.815% kept HA VAL 94 - HB2 GLU- 56 1.515% * 2.9474% (0.70 1.0 1.26 1.53) = 2.947% kept HA ASN 76 - HB3 GLU- 75 1.515% * 1.3013% (0.41 1.0 0.96 0.02) = 1.301% kept HA GLU- 56 - HB3 GLU- 75 1.515% * 1.0286% (0.63 1.0 0.49 0.02) = 1.029% kept HA LEU 90 - HB3 GLU- 75 1.515% * 0.8895% (0.41 1.0 0.65 0.39) = 0.890% HA ALA 11 - HB3 GLU- 75 1.515% * 0.6417% (0.35 1.0 0.54 0.02) = 0.642% HB3 SER 49 - HB3 GLU- 75 1.515% * 0.1165% (0.13 1.0 0.26 0.02) = 0.117% HA GLU- 10 - HB3 GLU- 75 1.515% * 0.0799% (0.10 1.0 0.25 0.02) = 0.080% HA GLU- 64 - HB2 GLU- 56 1.515% * 0.0504% (0.75 1.0 0.02 0.02) = 0.050% HA GLU- 75 - HB2 GLU- 56 1.515% * 0.0494% (0.73 1.0 0.02 0.02) = 0.049% HA SER 85 - HB2 GLU- 56 1.515% * 0.0482% (0.72 1.0 0.02 0.02) = 0.048% HA ARG+ 84 - HB2 GLU- 56 1.515% * 0.0482% (0.72 1.0 0.02 0.02) = 0.048% HA PRO 52 - HB2 GLU- 56 1.515% * 0.0482% (0.72 1.0 0.02 0.02) = 0.048% HA GLU- 64 - HB3 GLU- 75 1.515% * 0.0406% (0.60 1.0 0.02 0.02) = 0.041% HA ARG+ 84 - HB3 GLU- 75 1.515% * 0.0389% (0.58 1.0 0.02 0.02) = 0.039% HA SER 85 - HB3 GLU- 75 1.515% * 0.0389% (0.58 1.0 0.02 0.02) = 0.039% HA PRO 52 - HB3 GLU- 75 1.515% * 0.0389% (0.58 1.0 0.02 0.02) = 0.039% HA VAL 122 - HB2 GLU- 56 1.515% * 0.0379% (0.56 1.0 0.02 0.02) = 0.038% HA VAL 94 - HB3 GLU- 75 1.515% * 0.0377% (0.56 1.0 0.02 0.02) = 0.038% HA ASN 119 - HB2 GLU- 56 1.515% * 0.0359% (0.53 1.0 0.02 0.02) = 0.036% HA GLU- 107 - HB2 GLU- 56 1.515% * 0.0359% (0.53 1.0 0.02 0.02) = 0.036% HA LEU 90 - HB2 GLU- 56 1.515% * 0.0338% (0.50 1.0 0.02 0.02) = 0.034% HA ASN 76 - HB2 GLU- 56 1.515% * 0.0338% (0.50 1.0 0.02 0.02) = 0.034% HA VAL 122 - HB3 GLU- 75 1.515% * 0.0306% (0.45 1.0 0.02 0.02) = 0.031% HA ALA 11 - HB2 GLU- 56 1.515% * 0.0296% (0.44 1.0 0.02 0.02) = 0.030% HA ASN 119 - HB3 GLU- 75 1.515% * 0.0289% (0.43 1.0 0.02 0.02) = 0.029% HA GLU- 107 - HB3 GLU- 75 1.515% * 0.0289% (0.43 1.0 0.02 0.02) = 0.029% HB3 CYS 121 - HB2 GLU- 56 1.515% * 0.0234% (0.35 1.0 0.02 0.02) = 0.023% HB3 CYS 121 - HB3 GLU- 75 1.515% * 0.0189% (0.28 1.0 0.02 0.02) = 0.019% HA THR 106 - HB2 GLU- 56 1.515% * 0.0178% (0.26 1.0 0.02 0.02) = 0.018% HA PRO 59 - HB2 GLU- 56 1.515% * 0.0178% (0.26 1.0 0.02 0.02) = 0.018% HA CYS 121 - HB2 GLU- 56 1.515% * 0.0161% (0.24 1.0 0.02 0.02) = 0.016% HA THR 106 - HB3 GLU- 75 1.515% * 0.0144% (0.21 1.0 0.02 0.02) = 0.014% HA PRO 59 - HB3 GLU- 75 1.515% * 0.0144% (0.21 1.0 0.02 0.22) = 0.014% HA CYS 121 - HB3 GLU- 75 1.515% * 0.0130% (0.19 1.0 0.02 0.02) = 0.013% HB3 SER 49 - HB2 GLU- 56 1.515% * 0.0110% (0.16 1.0 0.02 0.02) = 0.011% HA LYS+ 108 - HB2 GLU- 56 1.515% * 0.0081% (0.12 1.0 0.02 0.02) = 0.008% HA GLU- 54 - HB2 GLU- 56 1.515% * 0.0081% (0.12 1.0 0.02 0.02) = 0.008% HA GLU- 10 - HB2 GLU- 56 1.515% * 0.0081% (0.12 1.0 0.02 0.02) = 0.008% HA ASP- 36 - HB2 GLU- 56 1.515% * 0.0081% (0.12 1.0 0.02 0.02) = 0.008% HA GLU- 54 - HB3 GLU- 75 1.515% * 0.0065% (0.10 1.0 0.02 0.02) = 0.006% HA ASP- 36 - HB3 GLU- 75 1.515% * 0.0065% (0.10 1.0 0.02 0.02) = 0.006% HA LYS+ 108 - HB3 GLU- 75 1.515% * 0.0065% (0.10 1.0 0.02 0.02) = 0.006% HA GLU- 56 - HB VAL 47 1.515% * 0.0028% (0.04 1.0 0.02 0.02) = 0.003% HA GLU- 64 - HB VAL 47 1.515% * 0.0027% (0.04 1.0 0.02 0.51) = 0.003% HA GLU- 75 - HB VAL 47 1.515% * 0.0026% (0.04 1.0 0.02 0.02) = 0.003% HA ARG+ 84 - HB VAL 47 1.515% * 0.0026% (0.04 1.0 0.02 0.02) = 0.003% HA PRO 52 - HB VAL 47 1.515% * 0.0026% (0.04 1.0 0.02 0.02) = 0.003% HA SER 85 - HB VAL 47 1.515% * 0.0026% (0.04 1.0 0.02 0.02) = 0.003% HA VAL 94 - HB VAL 47 1.515% * 0.0025% (0.04 1.0 0.02 0.02) = 0.003% HA VAL 122 - HB VAL 47 1.515% * 0.0020% (0.03 1.0 0.02 0.02) = 0.002% HA GLU- 107 - HB VAL 47 1.515% * 0.0019% (0.03 1.0 0.02 0.02) = 0.002% HA ASN 119 - HB VAL 47 1.515% * 0.0019% (0.03 1.0 0.02 0.21) = 0.002% HA LEU 90 - HB VAL 47 1.515% * 0.0018% (0.03 1.0 0.02 0.02) = 0.002% HA ASN 76 - HB VAL 47 1.515% * 0.0018% (0.03 1.0 0.02 0.02) = 0.002% HA ALA 11 - HB VAL 47 1.515% * 0.0016% (0.02 1.0 0.02 0.02) = 0.002% HB3 CYS 121 - HB VAL 47 1.515% * 0.0012% (0.02 1.0 0.02 0.02) = 0.001% HA THR 106 - HB VAL 47 1.515% * 0.0010% (0.01 1.0 0.02 0.02) = 0.001% HA PRO 59 - HB VAL 47 1.515% * 0.0010% (0.01 1.0 0.02 0.02) = 0.001% HA CYS 121 - HB VAL 47 1.515% * 0.0009% (0.01 1.0 0.02 0.02) = 0.001% HB3 SER 49 - HB VAL 47 1.515% * 0.0006% (0.01 1.0 0.02 0.02) = 0.001% HA GLU- 54 - HB VAL 47 1.515% * 0.0004% (0.01 1.0 0.02 0.02) = 0.000% HA LYS+ 108 - HB VAL 47 1.515% * 0.0004% (0.01 1.0 0.02 0.02) = 0.000% HA GLU- 10 - HB VAL 47 1.515% * 0.0004% (0.01 1.0 0.02 0.02) = 0.000% HA ASP- 36 - HB VAL 47 1.515% * 0.0004% (0.01 1.0 0.02 0.02) = 0.000% Peak 2181 (4.23, 1.91, 30.50 ppm): 70 chemical-shift based assignments, quality = 0.506, support = 2.01, residual support = 10.1: * O T HA GLU- 10 - HB2 GLU- 10 1.429% * 82.0378% (0.57 10.0 10.00 2.21 9.88) = 82.038% kept HA GLU- 54 - HB3 ARG+ 53 1.429% * 5.9613% (0.33 1.0 1.00 2.48 31.86) = 5.961% kept HA ALA 11 - HB2 GLU- 10 1.429% * 1.9733% (0.26 1.0 1.00 1.05 2.95) = 1.973% kept HB3 SER 49 - HB3 GLN 102 1.429% * 1.8316% (0.25 1.0 1.00 1.02 0.68) = 1.832% kept HA GLU- 54 - HD3 LYS+ 63 1.429% * 1.5164% (0.55 1.0 1.00 0.38 0.02) = 1.516% kept T HA LYS+ 108 - HB2 GLU- 10 1.429% * 0.8204% (0.57 1.0 10.00 0.02 0.02) = 0.820% T HA GLU- 12 - HB2 GLU- 10 1.429% * 0.6284% (0.44 1.0 10.00 0.02 0.02) = 0.628% HA LYS+ 108 - HB3 GLN 102 1.429% * 0.4665% (0.48 1.0 1.00 0.14 0.02) = 0.467% HA GLU- 109 - HB3 GLN 102 1.429% * 0.3589% (0.50 1.0 1.00 0.10 0.02) = 0.359% T HA ASN 76 - HB2 GLU- 10 1.429% * 0.3120% (0.22 1.0 10.00 0.02 0.02) = 0.312% T HA GLU- 107 - HB2 GLU- 10 1.429% * 0.2823% (0.20 1.0 10.00 0.02 0.02) = 0.282% T HA ASN 119 - HB2 GLU- 10 1.429% * 0.2823% (0.20 1.0 10.00 0.02 0.02) = 0.282% T HA GLU- 10 - HB2 GLU- 75 1.429% * 0.2480% (0.17 1.0 10.00 0.02 0.02) = 0.248% T HA LYS+ 108 - HB2 GLU- 75 1.429% * 0.2480% (0.17 1.0 10.00 0.02 0.02) = 0.248% T HA ASP- 82 - HB2 GLU- 10 1.429% * 0.2281% (0.16 1.0 10.00 0.02 0.02) = 0.228% T HA GLU- 12 - HB2 GLU- 75 1.429% * 0.1899% (0.13 1.0 10.00 0.02 0.02) = 0.190% T HA ASN 76 - HB2 GLU- 75 1.429% * 0.0943% (0.07 1.0 10.00 0.02 0.02) = 0.094% HA SER 49 - HB2 GLU- 10 1.429% * 0.0915% (0.64 1.0 1.00 0.02 0.02) = 0.091% HA ALA 42 - HB2 GLU- 10 1.429% * 0.0907% (0.63 1.0 1.00 0.02 0.02) = 0.091% HA SER 49 - HD3 LYS+ 63 1.429% * 0.0890% (0.62 1.0 1.00 0.02 0.02) = 0.089% HA ALA 42 - HD3 LYS+ 63 1.429% * 0.0883% (0.61 1.0 1.00 0.02 0.02) = 0.088% HA GLU- 109 - HB2 GLU- 10 1.429% * 0.0865% (0.60 1.0 1.00 0.02 0.02) = 0.087% T HA GLU- 107 - HB2 GLU- 75 1.429% * 0.0853% (0.06 1.0 10.00 0.02 0.02) = 0.085% T HA ASN 119 - HB2 GLU- 75 1.429% * 0.0853% (0.06 1.0 10.00 0.02 0.02) = 0.085% HA GLU- 109 - HD3 LYS+ 63 1.429% * 0.0842% (0.59 1.0 1.00 0.02 0.02) = 0.084% HA GLU- 54 - HB2 GLU- 10 1.429% * 0.0820% (0.57 1.0 1.00 0.02 0.02) = 0.082% HA GLU- 10 - HD3 LYS+ 63 1.429% * 0.0799% (0.55 1.0 1.00 0.02 0.02) = 0.080% HA LYS+ 108 - HD3 LYS+ 63 1.429% * 0.0799% (0.55 1.0 1.00 0.02 0.02) = 0.080% HA SER 49 - HB3 GLN 102 1.429% * 0.0768% (0.53 1.0 1.00 0.02 0.68) = 0.077% HA ALA 42 - HB3 GLN 102 1.429% * 0.0761% (0.53 1.0 1.00 0.02 0.02) = 0.076% T HA ASP- 82 - HB2 GLU- 75 1.429% * 0.0689% (0.05 1.0 10.00 0.02 0.02) = 0.069% HA GLU- 54 - HB3 GLN 102 1.429% * 0.0689% (0.48 1.0 1.00 0.02 0.02) = 0.069% HA GLU- 10 - HB3 GLN 102 1.429% * 0.0689% (0.48 1.0 1.00 0.02 0.02) = 0.069% HA GLU- 12 - HD3 LYS+ 63 1.429% * 0.0612% (0.42 1.0 1.00 0.02 0.02) = 0.061% HA PRO 59 - HB2 GLU- 10 1.429% * 0.0592% (0.41 1.0 1.00 0.02 0.02) = 0.059% HA PRO 59 - HD3 LYS+ 63 1.429% * 0.0576% (0.40 1.0 1.00 0.02 0.02) = 0.058% HA SER 49 - HB3 ARG+ 53 1.429% * 0.0535% (0.37 1.0 1.00 0.02 0.02) = 0.054% HA ALA 42 - HB3 ARG+ 53 1.429% * 0.0531% (0.37 1.0 1.00 0.02 0.02) = 0.053% HA GLU- 12 - HB3 GLN 102 1.429% * 0.0527% (0.37 1.0 1.00 0.02 0.02) = 0.053% HA GLU- 109 - HB3 ARG+ 53 1.429% * 0.0506% (0.35 1.0 1.00 0.02 0.02) = 0.051% HA PRO 59 - HB3 GLN 102 1.429% * 0.0497% (0.35 1.0 1.00 0.02 0.02) = 0.050% HA LYS+ 108 - HB3 ARG+ 53 1.429% * 0.0480% (0.33 1.0 1.00 0.02 0.02) = 0.048% HA GLU- 10 - HB3 ARG+ 53 1.429% * 0.0480% (0.33 1.0 1.00 0.02 0.02) = 0.048% HB3 SER 49 - HB2 GLU- 10 1.429% * 0.0430% (0.30 1.0 1.00 0.02 0.02) = 0.043% HB3 SER 49 - HD3 LYS+ 63 1.429% * 0.0418% (0.29 1.0 1.00 0.02 0.02) = 0.042% HA GLU- 12 - HB3 ARG+ 53 1.429% * 0.0368% (0.26 1.0 1.00 0.02 0.02) = 0.037% HA ALA 11 - HD3 LYS+ 63 1.429% * 0.0366% (0.25 1.0 1.00 0.02 0.02) = 0.037% HA PRO 59 - HB3 ARG+ 53 1.429% * 0.0346% (0.24 1.0 1.00 0.02 0.02) = 0.035% HA ALA 11 - HB3 GLN 102 1.429% * 0.0316% (0.22 1.0 1.00 0.02 0.02) = 0.032% HA ASN 76 - HD3 LYS+ 63 1.429% * 0.0304% (0.21 1.0 1.00 0.02 0.02) = 0.030% HA SER 49 - HB2 GLU- 75 1.429% * 0.0276% (0.19 1.0 1.00 0.02 0.02) = 0.028% HA GLU- 107 - HD3 LYS+ 63 1.429% * 0.0275% (0.19 1.0 1.00 0.02 0.02) = 0.027% HA ASN 119 - HD3 LYS+ 63 1.429% * 0.0275% (0.19 1.0 1.00 0.02 0.02) = 0.027% HA ALA 42 - HB2 GLU- 75 1.429% * 0.0274% (0.19 1.0 1.00 0.02 0.02) = 0.027% HA ASN 76 - HB3 GLN 102 1.429% * 0.0262% (0.18 1.0 1.00 0.02 0.02) = 0.026% HA GLU- 109 - HB2 GLU- 75 1.429% * 0.0262% (0.18 1.0 1.00 0.02 0.02) = 0.026% HB3 SER 49 - HB3 ARG+ 53 1.429% * 0.0251% (0.17 1.0 1.00 0.02 0.02) = 0.025% HA GLU- 54 - HB2 GLU- 75 1.429% * 0.0248% (0.17 1.0 1.00 0.02 0.02) = 0.025% HA ASN 119 - HB3 GLN 102 1.429% * 0.0237% (0.16 1.0 1.00 0.02 0.02) = 0.024% HA GLU- 107 - HB3 GLN 102 1.429% * 0.0237% (0.16 1.0 1.00 0.02 0.02) = 0.024% HA ASP- 82 - HD3 LYS+ 63 1.429% * 0.0222% (0.15 1.0 1.00 0.02 0.02) = 0.022% HA ALA 11 - HB3 ARG+ 53 1.429% * 0.0220% (0.15 1.0 1.00 0.02 0.02) = 0.022% HA ASP- 82 - HB3 GLN 102 1.429% * 0.0191% (0.13 1.0 1.00 0.02 0.02) = 0.019% HA ASN 76 - HB3 ARG+ 53 1.429% * 0.0183% (0.13 1.0 1.00 0.02 0.02) = 0.018% HA PRO 59 - HB2 GLU- 75 1.429% * 0.0179% (0.12 1.0 1.00 0.02 0.22) = 0.018% HA GLU- 107 - HB3 ARG+ 53 1.429% * 0.0165% (0.11 1.0 1.00 0.02 0.02) = 0.017% HA ASN 119 - HB3 ARG+ 53 1.429% * 0.0165% (0.11 1.0 1.00 0.02 0.02) = 0.017% HA ASP- 82 - HB3 ARG+ 53 1.429% * 0.0133% (0.09 1.0 1.00 0.02 0.02) = 0.013% HB3 SER 49 - HB2 GLU- 75 1.429% * 0.0130% (0.09 1.0 1.00 0.02 0.02) = 0.013% HA ALA 11 - HB2 GLU- 75 1.429% * 0.0114% (0.08 1.0 1.00 0.02 0.02) = 0.011% Peak 2188 (3.20, 3.20, 30.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2196 (3.02, 3.02, 30.54 ppm): 1 diagonal assignment: * HB3 HIS+ 14 - HB3 HIS+ 14 (0.86) kept Peak 2211 (2.27, 2.02, 30.52 ppm): 40 chemical-shift based assignments, quality = 0.501, support = 1.45, residual support = 7.49: O T HG3 GLU- 107 - HB3 GLU- 107 2.500% * 51.3531% (0.55 10.0 10.00 2.11 6.21) = 51.353% kept * O T HG3 GLU- 75 - HB3 GLU- 75 2.500% * 17.5597% (0.19 10.0 10.00 1.48 24.11) = 17.560% kept T HG3 GLU- 75 - HB3 GLU- 107 2.500% * 13.4616% (0.95 1.0 10.00 0.30 0.02) = 13.462% kept T HG2 PRO 112 - HB3 GLU- 10 2.500% * 5.2657% (0.88 1.0 10.00 0.13 0.02) = 5.266% kept T HG2 PRO 112 - HB3 GLU- 75 2.500% * 5.0837% (0.19 1.0 10.00 0.59 0.30) = 5.084% kept HB2 LYS+ 44 - HB3 GLU- 75 2.500% * 1.4979% (0.14 1.0 1.00 2.30 3.27) = 1.498% kept T HG3 GLU- 75 - HB3 GLU- 10 2.500% * 0.8350% (0.89 1.0 10.00 0.02 0.02) = 0.835% T HG3 GLU- 75 - HB2 HIS+ 14 2.500% * 0.8220% (0.88 1.0 10.00 0.02 0.13) = 0.822% T HG3 GLU- 54 - HB3 GLU- 107 2.500% * 0.5868% (0.63 1.0 10.00 0.02 0.02) = 0.587% T HG3 GLU- 54 - HB3 GLU- 10 2.500% * 0.5511% (0.59 1.0 10.00 0.02 0.02) = 0.551% T HG3 GLU- 54 - HB2 HIS+ 14 2.500% * 0.5425% (0.58 1.0 10.00 0.02 0.02) = 0.543% T HG3 GLU- 107 - HB3 GLU- 10 2.500% * 0.4823% (0.52 1.0 10.00 0.02 0.02) = 0.482% T HG3 GLU- 107 - HB2 HIS+ 14 2.500% * 0.4748% (0.51 1.0 10.00 0.02 0.02) = 0.475% T HG3 GLU- 54 - HB3 GLU- 75 2.500% * 0.1159% (0.12 1.0 10.00 0.02 0.02) = 0.116% T HG3 GLU- 107 - HB3 GLU- 75 2.500% * 0.1014% (0.11 1.0 10.00 0.02 0.02) = 0.101% HB3 PRO 112 - HB3 GLU- 107 2.500% * 0.0905% (0.97 1.0 1.00 0.02 0.02) = 0.091% HB3 LYS+ 117 - HB3 GLU- 107 2.500% * 0.0889% (0.95 1.0 1.00 0.02 0.02) = 0.089% HG2 PRO 112 - HB3 GLU- 107 2.500% * 0.0877% (0.94 1.0 1.00 0.02 0.02) = 0.088% HB VAL 80 - HB3 GLU- 107 2.500% * 0.0858% (0.92 1.0 1.00 0.02 0.02) = 0.086% HB3 PRO 112 - HB3 GLU- 10 2.500% * 0.0850% (0.91 1.0 1.00 0.02 0.02) = 0.085% HB3 PRO 112 - HB2 HIS+ 14 2.500% * 0.0837% (0.90 1.0 1.00 0.02 0.02) = 0.084% HB3 LYS+ 117 - HB3 GLU- 10 2.500% * 0.0835% (0.89 1.0 1.00 0.02 0.02) = 0.084% HB3 LYS+ 117 - HB2 HIS+ 14 2.500% * 0.0822% (0.88 1.0 1.00 0.02 0.02) = 0.082% HG2 PRO 112 - HB2 HIS+ 14 2.500% * 0.0811% (0.87 1.0 1.00 0.02 0.02) = 0.081% HB VAL 80 - HB3 GLU- 10 2.500% * 0.0806% (0.86 1.0 1.00 0.02 0.02) = 0.081% HB VAL 80 - HB2 HIS+ 14 2.500% * 0.0793% (0.85 1.0 1.00 0.02 0.02) = 0.079% HB2 LYS+ 44 - HB3 GLU- 107 2.500% * 0.0659% (0.70 1.0 1.00 0.02 0.02) = 0.066% HB2 LYS+ 44 - HB3 GLU- 10 2.500% * 0.0619% (0.66 1.0 1.00 0.02 0.02) = 0.062% HB2 LYS+ 44 - HB2 HIS+ 14 2.500% * 0.0609% (0.65 1.0 1.00 0.02 0.02) = 0.061% HB3 PRO 112 - HB3 GLU- 75 2.500% * 0.0179% (0.19 1.0 1.00 0.02 0.30) = 0.018% HB3 LYS+ 117 - HB3 GLU- 75 2.500% * 0.0176% (0.19 1.0 1.00 0.02 0.02) = 0.018% HB VAL 80 - HB3 GLU- 75 2.500% * 0.0169% (0.18 1.0 1.00 0.02 0.02) = 0.017% HB3 ASN 15 - HB3 GLU- 107 2.500% * 0.0159% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB3 PRO 116 - HB3 GLU- 107 2.500% * 0.0159% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB3 ASN 15 - HB3 GLU- 10 2.500% * 0.0149% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 116 - HB3 GLU- 10 2.500% * 0.0149% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB3 ASN 15 - HB2 HIS+ 14 2.500% * 0.0147% (0.16 1.0 1.00 0.02 1.56) = 0.015% HB3 PRO 116 - HB2 HIS+ 14 2.500% * 0.0147% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB3 ASN 15 - HB3 GLU- 75 2.500% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 116 - HB3 GLU- 75 2.500% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 2212 (2.22, 1.92, 30.53 ppm): 84 chemical-shift based assignments, quality = 0.386, support = 2.26, residual support = 16.4: * O T HG3 GLN 102 - HB3 GLN 102 1.190% * 41.9293% (0.51 10.0 10.00 3.00 27.58) = 41.929% kept O HG3 GLU- 10 - HB2 GLU- 10 1.190% * 32.3217% (0.41 10.0 1.00 1.93 9.88) = 32.322% kept O HG3 GLU- 109 - HB3 GLU- 109 1.190% * 11.6604% (0.17 10.0 1.00 1.63 6.66) = 11.660% kept HB2 PRO 52 - HB3 ARG+ 53 1.190% * 3.7297% (0.20 1.0 1.00 4.58 23.29) = 3.730% kept HG3 GLU- 18 - HB3 GLN 102 1.190% * 1.4905% (0.51 1.0 1.00 0.72 0.77) = 1.491% kept HG2 PRO 112 - HB3 GLN 102 1.190% * 1.2293% (0.51 1.0 1.00 0.59 0.02) = 1.229% kept T HG3 GLN 102 - HB2 GLU- 10 1.190% * 0.6855% (0.83 1.0 10.00 0.02 0.02) = 0.686% T HG3 MET 97 - HB2 GLU- 10 1.190% * 0.6162% (0.75 1.0 10.00 0.02 0.02) = 0.616% T HG3 MET 126 - HB2 GLU- 10 1.190% * 0.5501% (0.67 1.0 10.00 0.02 0.02) = 0.550% T HG3 MET 97 - HB3 GLN 102 1.190% * 0.3769% (0.46 1.0 10.00 0.02 0.02) = 0.377% T HG3 GLN 102 - HD3 LYS+ 63 1.190% * 0.3722% (0.45 1.0 10.00 0.02 0.02) = 0.372% HG2 PRO 112 - HD3 LYS+ 63 1.190% * 0.3675% (0.45 1.0 1.00 0.20 0.02) = 0.367% T HG3 GLN 16 - HB2 GLU- 10 1.190% * 0.3615% (0.44 1.0 10.00 0.02 0.02) = 0.361% HG2 PRO 112 - HB3 ARG+ 53 1.190% * 0.3506% (0.20 1.0 1.00 0.42 0.02) = 0.351% T HG3 MET 126 - HB3 GLN 102 1.190% * 0.3365% (0.41 1.0 10.00 0.02 0.02) = 0.336% T HG3 MET 97 - HD3 LYS+ 63 1.190% * 0.3345% (0.41 1.0 10.00 0.02 0.02) = 0.335% HB2 PRO 52 - HD3 LYS+ 63 1.190% * 0.3089% (0.44 1.0 1.00 0.17 1.22) = 0.309% T HG3 MET 126 - HD3 LYS+ 63 1.190% * 0.2987% (0.36 1.0 10.00 0.02 0.02) = 0.299% T HG3 GLN 16 - HB3 GLN 102 1.190% * 0.2211% (0.27 1.0 10.00 0.02 1.68) = 0.221% T HG3 GLN 16 - HD3 LYS+ 63 1.190% * 0.1963% (0.24 1.0 10.00 0.02 0.02) = 0.196% T HG3 GLN 102 - HB3 ARG+ 53 1.190% * 0.1684% (0.20 1.0 10.00 0.02 0.02) = 0.168% T HG3 MET 97 - HB3 ARG+ 53 1.190% * 0.1514% (0.18 1.0 10.00 0.02 0.02) = 0.151% T HG2 MET 126 - HB2 GLU- 10 1.190% * 0.1360% (0.17 1.0 10.00 0.02 0.02) = 0.136% T HG3 MET 126 - HB3 ARG+ 53 1.190% * 0.1352% (0.16 1.0 10.00 0.02 0.02) = 0.135% T HG3 GLN 16 - HB3 ARG+ 53 1.190% * 0.0888% (0.11 1.0 10.00 0.02 0.02) = 0.089% T HG2 MET 126 - HB3 GLN 102 1.190% * 0.0832% (0.10 1.0 10.00 0.02 0.02) = 0.083% T HG2 MET 126 - HD3 LYS+ 63 1.190% * 0.0738% (0.09 1.0 10.00 0.02 0.02) = 0.074% HG2 PRO 112 - HB2 GLU- 10 1.190% * 0.0687% (0.83 1.0 1.00 0.02 0.02) = 0.069% HG3 GLU- 18 - HB2 GLU- 10 1.190% * 0.0681% (0.83 1.0 1.00 0.02 0.02) = 0.068% HB2 GLU- 50 - HB2 GLU- 10 1.190% * 0.0663% (0.81 1.0 1.00 0.02 0.02) = 0.066% HG3 GLU- 109 - HB2 GLU- 10 1.190% * 0.0663% (0.81 1.0 1.00 0.02 0.02) = 0.066% HB2 PRO 52 - HB2 GLU- 10 1.190% * 0.0663% (0.81 1.0 1.00 0.02 0.02) = 0.066% HA1 GLY 58 - HB2 GLU- 10 1.190% * 0.0616% (0.75 1.0 1.00 0.02 0.02) = 0.062% HB3 GLU- 45 - HB2 GLU- 10 1.190% * 0.0417% (0.51 1.0 1.00 0.02 0.85) = 0.042% HB2 PRO 52 - HB3 GLN 102 1.190% * 0.0406% (0.49 1.0 1.00 0.02 0.02) = 0.041% HG3 GLU- 109 - HB3 GLN 102 1.190% * 0.0406% (0.49 1.0 1.00 0.02 0.02) = 0.041% HB2 GLU- 50 - HB3 GLN 102 1.190% * 0.0406% (0.49 1.0 1.00 0.02 0.02) = 0.041% HA1 GLY 58 - HB3 GLN 102 1.190% * 0.0377% (0.46 1.0 1.00 0.02 0.02) = 0.038% HG3 GLU- 18 - HD3 LYS+ 63 1.190% * 0.0370% (0.45 1.0 1.00 0.02 0.02) = 0.037% HG3 GLU- 109 - HD3 LYS+ 63 1.190% * 0.0360% (0.44 1.0 1.00 0.02 0.02) = 0.036% HB2 GLU- 50 - HD3 LYS+ 63 1.190% * 0.0360% (0.44 1.0 1.00 0.02 0.02) = 0.036% HA1 GLY 58 - HD3 LYS+ 63 1.190% * 0.0335% (0.41 1.0 1.00 0.02 0.02) = 0.033% T HG2 MET 126 - HB3 ARG+ 53 1.190% * 0.0334% (0.04 1.0 10.00 0.02 0.02) = 0.033% HG2 PRO 112 - HB2 GLU- 75 1.190% * 0.0265% (0.32 1.0 1.00 0.02 0.30) = 0.027% HG3 GLN 102 - HB2 GLU- 75 1.190% * 0.0265% (0.32 1.0 1.00 0.02 0.55) = 0.026% HG3 GLU- 18 - HB2 GLU- 75 1.190% * 0.0263% (0.32 1.0 1.00 0.02 0.02) = 0.026% HB2 PRO 52 - HB2 GLU- 75 1.190% * 0.0256% (0.31 1.0 1.00 0.02 0.02) = 0.026% HG3 GLU- 109 - HB2 GLU- 75 1.190% * 0.0256% (0.31 1.0 1.00 0.02 0.02) = 0.026% HB2 GLU- 50 - HB2 GLU- 75 1.190% * 0.0256% (0.31 1.0 1.00 0.02 0.43) = 0.026% HB3 GLU- 45 - HB3 GLN 102 1.190% * 0.0255% (0.31 1.0 1.00 0.02 0.02) = 0.025% HG3 MET 97 - HB2 GLU- 75 1.190% * 0.0238% (0.29 1.0 1.00 0.02 0.02) = 0.024% HA1 GLY 58 - HB2 GLU- 75 1.190% * 0.0238% (0.29 1.0 1.00 0.02 0.02) = 0.024% HB3 ASN 15 - HB2 GLU- 10 1.190% * 0.0234% (0.28 1.0 1.00 0.02 0.02) = 0.023% HB3 GLU- 45 - HD3 LYS+ 63 1.190% * 0.0226% (0.27 1.0 1.00 0.02 0.02) = 0.023% HG3 MET 126 - HB2 GLU- 75 1.190% * 0.0212% (0.26 1.0 1.00 0.02 0.02) = 0.021% HG3 GLU- 10 - HB3 GLN 102 1.190% * 0.0205% (0.25 1.0 1.00 0.02 0.02) = 0.020% HG3 GLU- 10 - HD3 LYS+ 63 1.190% * 0.0182% (0.22 1.0 1.00 0.02 0.02) = 0.018% HG3 GLU- 18 - HB3 ARG+ 53 1.190% * 0.0167% (0.20 1.0 1.00 0.02 0.02) = 0.017% HG3 GLU- 109 - HB3 ARG+ 53 1.190% * 0.0163% (0.20 1.0 1.00 0.02 0.02) = 0.016% HB2 GLU- 50 - HB3 ARG+ 53 1.190% * 0.0163% (0.20 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 45 - HB2 GLU- 75 1.190% * 0.0161% (0.20 1.0 1.00 0.02 0.11) = 0.016% HA1 GLY 58 - HB3 ARG+ 53 1.190% * 0.0151% (0.18 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 112 - HB3 GLU- 109 1.190% * 0.0149% (0.18 1.0 1.00 0.02 0.02) = 0.015% HG3 GLN 102 - HB3 GLU- 109 1.190% * 0.0148% (0.18 1.0 1.00 0.02 0.02) = 0.015% HG3 GLU- 18 - HB3 GLU- 109 1.190% * 0.0147% (0.18 1.0 1.00 0.02 0.02) = 0.015% HB2 PRO 52 - HB3 GLU- 109 1.190% * 0.0143% (0.17 1.0 1.00 0.02 0.02) = 0.014% HB2 GLU- 50 - HB3 GLU- 109 1.190% * 0.0143% (0.17 1.0 1.00 0.02 0.02) = 0.014% HB3 ASN 15 - HB3 GLN 102 1.190% * 0.0143% (0.17 1.0 1.00 0.02 0.02) = 0.014% HG3 GLN 16 - HB2 GLU- 75 1.190% * 0.0140% (0.17 1.0 1.00 0.02 0.02) = 0.014% HG3 MET 97 - HB3 GLU- 109 1.190% * 0.0133% (0.16 1.0 1.00 0.02 0.02) = 0.013% HA1 GLY 58 - HB3 GLU- 109 1.190% * 0.0133% (0.16 1.0 1.00 0.02 0.02) = 0.013% HG3 GLU- 10 - HB2 GLU- 75 1.190% * 0.0129% (0.16 1.0 1.00 0.02 0.02) = 0.013% HB3 ASN 15 - HD3 LYS+ 63 1.190% * 0.0127% (0.15 1.0 1.00 0.02 0.02) = 0.013% HG3 MET 126 - HB3 GLU- 109 1.190% * 0.0119% (0.14 1.0 1.00 0.02 0.02) = 0.012% HB3 GLU- 45 - HB3 ARG+ 53 1.190% * 0.0102% (0.12 1.0 1.00 0.02 0.02) = 0.010% HB3 ASN 15 - HB2 GLU- 75 1.190% * 0.0090% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 45 - HB3 GLU- 109 1.190% * 0.0090% (0.11 1.0 1.00 0.02 0.02) = 0.009% HG3 GLU- 10 - HB3 ARG+ 53 1.190% * 0.0082% (0.10 1.0 1.00 0.02 0.02) = 0.008% HG3 GLN 16 - HB3 GLU- 109 1.190% * 0.0078% (0.09 1.0 1.00 0.02 0.02) = 0.008% HG3 GLU- 10 - HB3 GLU- 109 1.190% * 0.0072% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB3 ASN 15 - HB3 ARG+ 53 1.190% * 0.0058% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG2 MET 126 - HB2 GLU- 75 1.190% * 0.0053% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB3 ASN 15 - HB3 GLU- 109 1.190% * 0.0051% (0.06 1.0 1.00 0.02 0.02) = 0.005% HG2 MET 126 - HB3 GLU- 109 1.190% * 0.0029% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 2222 (2.01, 2.02, 30.52 ppm): 4 diagonal assignments: HB3 GLU- 107 - HB3 GLU- 107 (0.95) kept HB2 HIS+ 14 - HB2 HIS+ 14 (0.81) kept HB3 GLU- 10 - HB3 GLU- 10 (0.73) kept * HB3 GLU- 75 - HB3 GLU- 75 (0.07) kept Peak 2225 (1.93, 1.91, 30.52 ppm): 5 diagonal assignments: * HB2 GLU- 10 - HB2 GLU- 10 (0.58) kept HD3 LYS+ 63 - HD3 LYS+ 63 (0.34) kept HB3 GLN 102 - HB3 GLN 102 (0.24) kept HB2 GLU- 75 - HB2 GLU- 75 (0.13) kept HB3 ARG+ 53 - HB3 ARG+ 53 (0.07) kept Peak 2244 (9.08, 1.90, 30.22 ppm): 6 chemical-shift based assignments, quality = 0.792, support = 4.1, residual support = 26.9: * HN GLU- 54 - HB3 ARG+ 53 16.667% * 84.3798% (0.79 4.77 31.86) = 84.380% kept HN LYS+ 66 - HB3 ARG+ 53 16.667% * 11.2778% (0.89 0.57 0.02) = 11.278% kept HN GLU- 54 - HD3 LYS+ 63 16.667% * 3.9507% (0.62 0.29 0.02) = 3.951% kept HN LYS+ 66 - HD3 LYS+ 63 16.667% * 0.3092% (0.69 0.02 0.02) = 0.309% HN LYS+ 66 - HB2 GLU- 10 16.667% * 0.0436% (0.10 0.02 0.02) = 0.044% HN GLU- 54 - HB2 GLU- 10 16.667% * 0.0389% (0.09 0.02 0.02) = 0.039% Peak 2245 (8.44, 1.90, 30.28 ppm): 20 chemical-shift based assignments, quality = 0.825, support = 4.77, residual support = 34.6: * O HN ARG+ 53 - HB3 ARG+ 53 5.000% * 89.2648% (0.84 10.0 5.24 38.76) = 89.265% kept HN CYS 123 - HB3 ARG+ 53 5.000% * 4.6396% (0.81 1.0 1.08 0.11) = 4.640% kept HN LEU 74 - HB3 ARG+ 53 5.000% * 2.3469% (0.78 1.0 0.57 0.02) = 2.347% kept HN LYS+ 117 - HD3 LYS+ 63 5.000% * 1.9782% (0.34 1.0 1.08 0.73) = 1.978% kept HN ARG+ 53 - HD3 LYS+ 63 5.000% * 1.4270% (0.80 1.0 0.34 0.02) = 1.427% kept HN CYS 123 - HD3 LYS+ 63 5.000% * 0.0814% (0.77 1.0 0.02 0.02) = 0.081% HN LEU 74 - HD3 LYS+ 63 5.000% * 0.0780% (0.74 1.0 0.02 0.02) = 0.078% HN LYS+ 117 - HB3 ARG+ 53 5.000% * 0.0386% (0.36 1.0 0.02 0.02) = 0.039% HN GLU- 107 - HB3 ARG+ 53 5.000% * 0.0286% (0.27 1.0 0.02 0.02) = 0.029% HN GLU- 107 - HD3 LYS+ 63 5.000% * 0.0271% (0.26 1.0 0.02 0.02) = 0.027% HN ARG+ 53 - HB2 GLU- 10 5.000% * 0.0193% (0.18 1.0 0.02 0.02) = 0.019% HN CYS 123 - HB2 GLU- 10 5.000% * 0.0186% (0.18 1.0 0.02 0.02) = 0.019% HN LEU 74 - HB2 GLU- 10 5.000% * 0.0178% (0.17 1.0 0.02 0.02) = 0.018% HN LYS+ 117 - HB2 GLU- 10 5.000% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% HN GLU- 107 - HB2 GLU- 10 5.000% * 0.0062% (0.06 1.0 0.02 0.02) = 0.006% HN ARG+ 53 - HB2 GLU- 75 5.000% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% HN CYS 123 - HB2 GLU- 75 5.000% * 0.0052% (0.05 1.0 0.02 0.02) = 0.005% HN LEU 74 - HB2 GLU- 75 5.000% * 0.0050% (0.05 1.0 0.02 27.89) = 0.005% HN LYS+ 117 - HB2 GLU- 75 5.000% * 0.0023% (0.02 1.0 0.02 0.02) = 0.002% HN GLU- 107 - HB2 GLU- 75 5.000% * 0.0017% (0.02 1.0 0.02 0.02) = 0.002% Peak 2263 (1.39, 1.41, 29.99 ppm): 1 diagonal assignment: * HD3 LYS+ 20 - HD3 LYS+ 20 (0.77) kept Peak 2264 (1.40, 1.38, 29.95 ppm): 1 diagonal assignment: * HD3 LYS+ 20 - HD3 LYS+ 20 (0.85) kept Peak 2265 (1.11, 1.58, 30.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2266 (1.04, 1.41, 29.98 ppm): 2 chemical-shift based assignments, quality = 0.705, support = 2.57, residual support = 34.1: * O HG3 LYS+ 20 - HD3 LYS+ 20 50.000% * 99.9611% (0.71 10.0 2.57 34.11) = 99.961% kept HG3 LYS+ 20 - HD3 LYS+ 113 50.000% * 0.0389% (0.27 1.0 0.02 0.02) = 0.039% Peak 2267 (1.04, 1.40, 29.97 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 2.57, residual support = 34.1: * O HG3 LYS+ 20 - HD3 LYS+ 20 50.000% * 99.9863% (0.92 10.0 2.57 34.11) = 99.986% kept HG3 LYS+ 20 - HD3 LYS+ 113 50.000% * 0.0137% (0.13 1.0 0.02 0.02) = 0.014% Peak 2268 (0.92, 1.58, 30.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2270 (8.99, 4.31, 70.99 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2271 (7.22, 3.70, 29.45 ppm): 2 chemical-shift based assignments, quality = 0.448, support = 4.54, residual support = 97.8: * O HN TRP 51 - HB2 TRP 51 50.000% * 93.4381% (0.47 10.0 4.59 97.75) = 93.438% kept HH2 TRP 51 - HB2 TRP 51 50.000% * 6.5619% (0.17 1.0 3.87 97.75) = 6.562% kept Peak 2272 (7.21, 3.03, 29.45 ppm): 2 chemical-shift based assignments, quality = 0.379, support = 4.87, residual support = 97.8: * O HN TRP 51 - HB3 TRP 51 50.000% * 88.9677% (0.39 10.0 5.03 97.75) = 88.968% kept HH2 TRP 51 - HB3 TRP 51 50.000% * 11.0323% (0.27 1.0 3.60 97.75) = 11.032% kept Peak 2273 (3.70, 3.70, 29.47 ppm): 1 diagonal assignment: * HB2 TRP 51 - HB2 TRP 51 (0.58) kept Peak 2274 (3.70, 3.04, 29.47 ppm): 3 chemical-shift based assignments, quality = 0.392, support = 4.42, residual support = 97.6: * O T HB2 TRP 51 - HB3 TRP 51 33.333% * 99.7997% (0.39 10.0 10.00 4.43 97.75) = 99.800% kept HA LYS+ 81 - HB3 TRP 51 33.333% * 0.1025% (0.40 1.0 1.00 0.02 0.02) = 0.102% HB3 SER 69 - HB3 TRP 51 33.333% * 0.0978% (0.38 1.0 1.00 0.02 0.02) = 0.098% Peak 2275 (3.04, 3.70, 29.49 ppm): 2 chemical-shift based assignments, quality = 0.31, support = 4.23, residual support = 91.9: * O T HB3 TRP 51 - HB2 TRP 51 50.000% * 93.9747% (0.31 10.0 10.00 4.43 97.75) = 93.975% kept HB3 HIS+ 14 - HB2 TRP 51 50.000% * 6.0253% (0.35 1.0 1.00 1.12 0.14) = 6.025% kept Peak 2276 (2.89, 1.57, 29.33 ppm): 10 chemical-shift based assignments, quality = 0.311, support = 0.939, residual support = 46.9: * O HE3 LYS+ 81 - HD3 LYS+ 81 10.000% * 90.2676% (0.33 10.0 1.00 1.00 51.89) = 90.268% kept T HE3 LYS+ 60 - HD3 LYS+ 81 10.000% * 7.6382% (0.07 1.0 10.00 0.42 0.13) = 7.638% kept HB2 HIS+ 98 - HD3 LYS+ 81 10.000% * 1.6611% (0.23 1.0 1.00 0.27 0.39) = 1.661% kept HB3 ASN 57 - HD3 LYS+ 81 10.000% * 0.1973% (0.37 1.0 1.00 0.02 0.02) = 0.197% HB3 ASN 57 - HD3 LYS+ 32 10.000% * 0.0611% (0.11 1.0 1.00 0.02 0.02) = 0.061% HE3 LYS+ 81 - HD3 LYS+ 32 10.000% * 0.0559% (0.10 1.0 1.00 0.02 0.02) = 0.056% HB2 CYS 121 - HD3 LYS+ 81 10.000% * 0.0526% (0.10 1.0 1.00 0.02 0.02) = 0.053% HB2 HIS+ 98 - HD3 LYS+ 32 10.000% * 0.0385% (0.07 1.0 1.00 0.02 0.02) = 0.039% HB2 CYS 121 - HD3 LYS+ 32 10.000% * 0.0163% (0.03 1.0 1.00 0.02 0.02) = 0.016% HE3 LYS+ 60 - HD3 LYS+ 32 10.000% * 0.0113% (0.02 1.0 1.00 0.02 0.16) = 0.011% Peak 2281 (8.79, 4.00, 70.73 ppm): 4 chemical-shift based assignments, quality = 0.84, support = 4.37, residual support = 29.4: * O HN THR 95 - HB THR 95 25.000% * 97.8945% (0.84 10.0 4.46 30.01) = 97.894% kept HN SER 69 - HB THR 95 25.000% * 2.0608% (0.89 1.0 0.40 0.02) = 2.061% kept HN PHE 34 - HB THR 95 25.000% * 0.0288% (0.25 1.0 0.02 0.02) = 0.029% HN VAL 62 - HB THR 95 25.000% * 0.0160% (0.14 1.0 0.02 0.02) = 0.016% Peak 2282 (8.36, 1.73, 29.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2283 (8.23, 2.04, 29.25 ppm): 20 chemical-shift based assignments, quality = 0.55, support = 4.6, residual support = 57.9: * O HN GLU- 45 - HB2 GLU- 45 5.000% * 77.8926% (0.52 10.0 5.66 73.84) = 77.893% kept HN SER 49 - HB2 GLU- 45 5.000% * 7.4371% (0.79 1.0 1.25 4.72) = 7.437% kept HN VAL 105 - HB2 GLU- 45 5.000% * 4.3571% (0.72 1.0 0.81 0.32) = 4.357% kept HN LYS+ 81 - HB2 GLU- 45 5.000% * 3.7195% (0.59 1.0 0.84 0.23) = 3.719% kept HN ALA 11 - HB2 GLU- 45 5.000% * 2.8191% (0.59 1.0 0.64 0.88) = 2.819% kept HN GLU- 12 - HB2 GLU- 45 5.000% * 1.8145% (0.49 1.0 0.50 0.02) = 1.814% kept HN LEU 67 - HB2 GLU- 45 5.000% * 1.0863% (0.59 1.0 0.25 0.02) = 1.086% kept HN GLY 58 - HB2 GLU- 45 5.000% * 0.5055% (0.69 1.0 0.10 0.02) = 0.506% HN VAL 94 - HB2 GLU- 45 5.000% * 0.1114% (0.75 1.0 0.02 0.02) = 0.111% HN SER 49 - HB3 GLU- 54 5.000% * 0.0317% (0.21 1.0 0.02 0.02) = 0.032% HN VAL 94 - HB3 GLU- 54 5.000% * 0.0298% (0.20 1.0 0.02 0.02) = 0.030% HN VAL 105 - HB3 GLU- 54 5.000% * 0.0287% (0.19 1.0 0.02 0.02) = 0.029% HN GLY 58 - HB3 GLU- 54 5.000% * 0.0275% (0.18 1.0 0.02 0.02) = 0.027% HN ALA 11 - HB3 GLU- 54 5.000% * 0.0236% (0.16 1.0 0.02 0.02) = 0.024% HN LEU 67 - HB3 GLU- 54 5.000% * 0.0236% (0.16 1.0 0.02 0.02) = 0.024% HN LYS+ 81 - HB3 GLU- 54 5.000% * 0.0236% (0.16 1.0 0.02 0.02) = 0.024% HN THR 106 - HB2 GLU- 45 5.000% * 0.0225% (0.15 1.0 0.02 0.02) = 0.022% HN GLU- 45 - HB3 GLU- 54 5.000% * 0.0208% (0.14 1.0 0.02 0.02) = 0.021% HN GLU- 12 - HB3 GLU- 54 5.000% * 0.0194% (0.13 1.0 0.02 0.02) = 0.019% HN THR 106 - HB3 GLU- 54 5.000% * 0.0060% (0.04 1.0 0.02 0.02) = 0.006% Peak 2284 (7.32, 1.46, 29.21 ppm): 14 chemical-shift based assignments, quality = 0.747, support = 4.27, residual support = 54.1: HN VAL 47 - HG13 ILE 48 7.143% * 53.4367% (0.95 4.79 33.51) = 53.437% kept * HN ILE 48 - HG13 ILE 48 7.143% * 23.9473% (0.33 6.28 148.88) = 23.947% kept QD PHE 34 - HG13 ILE 48 7.143% * 10.1764% (0.93 0.93 2.63) = 10.176% kept QE PHE 34 - HG13 ILE 48 7.143% * 7.8918% (0.58 1.16 2.63) = 7.892% kept HZ PHE 34 - HG13 ILE 48 7.143% * 3.5213% (0.58 0.52 2.63) = 3.521% kept HZ2 TRP 51 - HG13 ILE 48 7.143% * 0.7752% (0.58 0.11 0.02) = 0.775% HN ARG+ 84 - HG13 ILE 48 7.143% * 0.2234% (0.95 0.02 0.02) = 0.223% HN ARG+ 84 - HD3 LYS+ 108 7.143% * 0.0054% (0.02 0.02 0.02) = 0.005% HN VAL 47 - HD3 LYS+ 108 7.143% * 0.0054% (0.02 0.02 0.02) = 0.005% QD PHE 34 - HD3 LYS+ 108 7.143% * 0.0053% (0.02 0.02 0.02) = 0.005% QE PHE 34 - HD3 LYS+ 108 7.143% * 0.0033% (0.01 0.02 0.02) = 0.003% HZ2 TRP 51 - HD3 LYS+ 108 7.143% * 0.0033% (0.01 0.02 0.02) = 0.003% HZ PHE 34 - HD3 LYS+ 108 7.143% * 0.0033% (0.01 0.02 0.02) = 0.003% HN ILE 48 - HD3 LYS+ 108 7.143% * 0.0019% (0.01 0.02 0.02) = 0.002% Peak 2285 (4.47, 2.39, 29.25 ppm): 8 chemical-shift based assignments, quality = 0.551, support = 1.92, residual support = 22.4: * O HA GLU- 50 - HB3 GLU- 50 12.500% * 99.3910% (0.55 10.0 1.93 22.51) = 99.391% kept HA ILE 100 - HB3 GLU- 50 12.500% * 0.1319% (0.71 1.0 0.02 1.00) = 0.132% HA GLN 102 - HB3 GLU- 50 12.500% * 0.1319% (0.71 1.0 0.02 0.02) = 0.132% HA MET 126 - HB3 GLU- 50 12.500% * 0.1167% (0.63 1.0 0.02 0.02) = 0.117% HA LYS+ 32 - HB3 GLU- 50 12.500% * 0.0924% (0.50 1.0 0.02 0.02) = 0.092% HA MET 118 - HB3 GLU- 50 12.500% * 0.0762% (0.41 1.0 0.02 0.02) = 0.076% HA SER 77 - HB3 GLU- 50 12.500% * 0.0300% (0.16 1.0 0.02 0.02) = 0.030% HA CYS 123 - HB3 GLU- 50 12.500% * 0.0300% (0.16 1.0 0.02 0.02) = 0.030% Peak 2286 (4.46, 1.75, 29.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2287 (4.41, 4.00, 70.67 ppm): 14 chemical-shift based assignments, quality = 0.831, support = 2.6, residual support = 29.7: * O HA THR 95 - HB THR 95 7.143% * 99.1152% (0.84 10.0 2.62 30.01) = 99.115% kept HA PRO 112 - HB THR 95 7.143% * 0.1143% (0.97 1.0 0.02 0.02) = 0.114% HA PRO 116 - HB THR 95 7.143% * 0.1133% (0.96 1.0 0.02 0.02) = 0.113% HA PRO 86 - HB THR 95 7.143% * 0.1103% (0.93 1.0 0.02 0.02) = 0.110% HA PRO 104 - HB THR 95 7.143% * 0.1081% (0.91 1.0 0.02 0.02) = 0.108% HA HIS+ 14 - HB THR 95 7.143% * 0.0991% (0.84 1.0 0.02 0.02) = 0.099% HA ASN 57 - HB THR 95 7.143% * 0.0954% (0.81 1.0 0.02 0.02) = 0.095% HA LYS+ 66 - HB THR 95 7.143% * 0.0739% (0.63 1.0 0.02 0.90) = 0.074% HA SER 88 - HB THR 95 7.143% * 0.0512% (0.43 1.0 0.02 0.02) = 0.051% HA ALA 91 - HB THR 95 7.143% * 0.0390% (0.33 1.0 0.02 0.02) = 0.039% HA LYS+ 111 - HB THR 95 7.143% * 0.0226% (0.19 1.0 0.02 0.02) = 0.023% HB THR 24 - HB THR 95 7.143% * 0.0200% (0.17 1.0 0.02 0.02) = 0.020% HA SER 27 - HB THR 95 7.143% * 0.0200% (0.17 1.0 0.02 0.02) = 0.020% HA ALA 37 - HB THR 95 7.143% * 0.0176% (0.15 1.0 0.02 0.02) = 0.018% Peak 2289 (4.28, 1.65, 29.22 ppm): 18 chemical-shift based assignments, quality = 0.592, support = 0.0779, residual support = 0.02: HA SER 85 - HB3 MET 126 5.556% * 30.5519% (0.75 0.12 0.02) = 30.552% kept HB3 SER 49 - HB3 MET 126 5.556% * 11.6425% (0.13 0.26 0.02) = 11.643% kept HA VAL 94 - HB3 MET 126 5.556% * 5.2890% (0.76 0.02 0.02) = 5.289% kept HA ARG+ 84 - HB3 MET 126 5.556% * 5.2306% (0.75 0.02 0.02) = 5.231% kept HA VAL 122 - HB3 MET 126 5.556% * 5.2306% (0.75 0.02 0.02) = 5.231% kept HA PRO 52 - HB3 MET 126 5.556% * 5.2306% (0.75 0.02 0.02) = 5.231% kept HA LEU 90 - HB3 MET 126 5.556% * 5.0479% (0.73 0.02 0.02) = 5.048% kept HA GLU- 56 - HB3 MET 126 5.556% * 4.4572% (0.64 0.02 0.02) = 4.457% kept HB3 CYS 121 - HB3 MET 126 5.556% * 4.2729% (0.62 0.02 0.02) = 4.273% kept HA THR 106 - HB3 MET 126 5.556% * 3.6655% (0.53 0.02 0.02) = 3.665% kept HA GLU- 64 - HB3 MET 126 5.556% * 3.6655% (0.53 0.02 0.02) = 3.665% kept HA GLU- 75 - HB3 MET 126 5.556% * 3.4520% (0.50 0.02 0.02) = 3.452% kept HA CYS 121 - HB3 MET 126 5.556% * 3.4520% (0.50 0.02 0.02) = 3.452% kept HA ASP- 36 - HB3 MET 126 5.556% * 2.1938% (0.32 0.02 0.02) = 2.194% kept HA GLU- 107 - HB3 MET 126 5.556% * 1.8202% (0.26 0.02 0.02) = 1.820% kept HA ASN 119 - HB3 MET 126 5.556% * 1.8202% (0.26 0.02 0.02) = 1.820% kept HA ASN 76 - HB3 MET 126 5.556% * 1.6470% (0.24 0.02 0.02) = 1.647% kept HA ALA 11 - HB3 MET 126 5.556% * 1.3306% (0.19 0.02 0.02) = 1.331% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 2290 (4.00, 4.00, 70.68 ppm): 1 diagonal assignment: * HB THR 95 - HB THR 95 (0.95) kept Peak 2295 (3.29, 3.28, 29.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2299 (3.13, 1.81, 29.24 ppm): 15 chemical-shift based assignments, quality = 0.846, support = 1.22, residual support = 17.6: * O T HE3 LYS+ 72 - HD3 LYS+ 72 6.667% * 44.9184% (0.96 10.0 10.00 1.53 25.75) = 44.918% kept O T HE3 LYS+ 108 - HG3 LYS+ 108 6.667% * 42.6637% (0.91 10.0 10.00 1.00 13.53) = 42.664% kept O T HE3 LYS+ 117 - HD3 LYS+ 117 6.667% * 10.3698% (0.22 10.0 10.00 1.00 2.12) = 10.370% kept T HE3 LYS+ 117 - HD3 LYS+ 72 6.667% * 0.4403% (0.94 1.0 10.00 0.02 0.02) = 0.440% T HE3 LYS+ 108 - HD3 LYS+ 72 6.667% * 0.4403% (0.94 1.0 10.00 0.02 0.02) = 0.440% T HE3 LYS+ 72 - HG3 LYS+ 108 6.667% * 0.4353% (0.93 1.0 10.00 0.02 0.02) = 0.435% T HE3 LYS+ 117 - HG3 LYS+ 108 6.667% * 0.4266% (0.91 1.0 10.00 0.02 0.02) = 0.427% T HE3 LYS+ 72 - HD3 LYS+ 117 6.667% * 0.1058% (0.23 1.0 10.00 0.02 0.02) = 0.106% T HE3 LYS+ 108 - HD3 LYS+ 117 6.667% * 0.1037% (0.22 1.0 10.00 0.02 0.02) = 0.104% HB3 ASP- 25 - HD3 LYS+ 72 6.667% * 0.0245% (0.53 1.0 1.00 0.02 0.02) = 0.024% HB3 ASP- 25 - HG3 LYS+ 108 6.667% * 0.0237% (0.51 1.0 1.00 0.02 0.02) = 0.024% HB3 HIS+ 98 - HD3 LYS+ 72 6.667% * 0.0191% (0.41 1.0 1.00 0.02 0.02) = 0.019% HB3 HIS+ 98 - HG3 LYS+ 108 6.667% * 0.0185% (0.40 1.0 1.00 0.02 0.02) = 0.019% HB3 ASP- 25 - HD3 LYS+ 117 6.667% * 0.0058% (0.12 1.0 1.00 0.02 0.02) = 0.006% HB3 HIS+ 98 - HD3 LYS+ 117 6.667% * 0.0045% (0.10 1.0 1.00 0.02 0.02) = 0.005% Peak 2300 (3.10, 3.28, 29.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2304 (2.97, 1.66, 29.27 ppm): 4 chemical-shift based assignments, quality = 0.511, support = 0.557, residual support = 0.591: T HE3 LYS+ 113 - HB3 MET 126 25.000% * 86.5881% (0.50 10.00 0.60 0.64) = 86.588% kept HB2 PHE 21 - HB3 MET 126 25.000% * 9.1515% (0.71 1.00 0.44 0.41) = 9.151% kept T HE2 LYS+ 117 - HB3 MET 126 25.000% * 2.7268% (0.46 10.00 0.02 0.02) = 2.727% kept T HE3 LYS+ 55 - HB3 MET 126 25.000% * 1.5335% (0.26 10.00 0.02 0.02) = 1.534% kept Peak 2306 (2.91, 2.91, 29.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2315 (2.44, 2.23, 29.30 ppm): 4 chemical-shift based assignments, quality = 0.452, support = 4.33, residual support = 69.5: * O HG3 GLU- 45 - HB3 GLU- 45 25.000% * 94.1647% (0.45 10.0 4.56 73.84) = 94.165% kept HG2 PRO 112 - HB3 GLU- 45 25.000% * 3.8986% (0.50 1.0 0.75 0.28) = 3.899% kept HG3 GLU- 45 - HB2 GLU- 50 25.000% * 1.8482% (0.38 1.0 0.46 0.02) = 1.848% kept HG2 PRO 112 - HB2 GLU- 50 25.000% * 0.0884% (0.42 1.0 0.02 0.02) = 0.088% Peak 2316 (2.45, 2.04, 29.30 ppm): 4 chemical-shift based assignments, quality = 0.472, support = 3.44, residual support = 55.7: * O HG3 GLU- 45 - HB2 GLU- 45 25.000% * 75.3199% (0.51 10.0 1.00 4.35 73.84) = 75.320% kept T HG2 PRO 112 - HB2 GLU- 45 25.000% * 20.5409% (0.41 1.0 10.00 0.67 0.28) = 20.541% kept T HG2 PRO 112 - HB3 GLU- 54 25.000% * 4.1231% (0.09 1.0 10.00 0.63 0.12) = 4.123% kept HG3 GLU- 45 - HB3 GLU- 54 25.000% * 0.0161% (0.11 1.0 1.00 0.02 0.02) = 0.016% Peak 2317 (2.38, 2.39, 29.25 ppm): 1 diagonal assignment: * HB3 GLU- 50 - HB3 GLU- 50 (0.59) kept Peak 2325 (2.05, 2.23, 29.30 ppm): 28 chemical-shift based assignments, quality = 0.903, support = 3.97, residual support = 69.0: * O HB2 GLU- 45 - HB3 GLU- 45 3.571% * 93.3965% (0.92 10.0 4.22 73.84) = 93.397% kept HG2 PRO 112 - HB3 GLU- 45 3.571% * 2.4303% (0.64 1.0 0.75 0.28) = 2.430% kept HB3 GLU- 75 - HB3 GLU- 45 3.571% * 2.0349% (0.65 1.0 0.61 0.11) = 2.035% kept HG3 PRO 86 - HB3 GLU- 45 3.571% * 1.2611% (0.94 1.0 0.26 0.02) = 1.261% kept HG3 PRO 86 - HB2 GLU- 50 3.571% * 0.0774% (0.76 1.0 0.02 0.02) = 0.077% HB3 LYS+ 110 - HB3 GLU- 45 3.571% * 0.0763% (0.75 1.0 0.02 0.11) = 0.076% HB2 GLU- 45 - HB2 GLU- 50 3.571% * 0.0759% (0.75 1.0 0.02 0.02) = 0.076% HB3 LYS+ 110 - HB2 GLU- 50 3.571% * 0.0620% (0.61 1.0 0.02 0.02) = 0.062% HB3 GLU- 75 - HB2 GLU- 50 3.571% * 0.0538% (0.53 1.0 0.02 0.43) = 0.054% HG2 PRO 112 - HB2 GLU- 50 3.571% * 0.0526% (0.52 1.0 0.02 0.02) = 0.053% HG3 GLU- 64 - HB3 GLU- 45 3.571% * 0.0464% (0.46 1.0 0.02 0.02) = 0.046% HB3 GLU- 54 - HB3 GLU- 45 3.571% * 0.0427% (0.42 1.0 0.02 0.02) = 0.043% HG3 GLU- 64 - HB2 GLU- 50 3.571% * 0.0377% (0.37 1.0 0.02 0.02) = 0.038% HB3 GLU- 54 - HB2 GLU- 50 3.571% * 0.0347% (0.34 1.0 0.02 0.02) = 0.035% HB3 GLU- 64 - HB3 GLU- 45 3.571% * 0.0325% (0.32 1.0 0.02 0.02) = 0.033% HB3 GLU- 10 - HB3 GLU- 45 3.571% * 0.0325% (0.32 1.0 0.02 0.85) = 0.033% HB VAL 62 - HB3 GLU- 45 3.571% * 0.0325% (0.32 1.0 0.02 0.50) = 0.033% HB3 PRO 31 - HB3 GLU- 45 3.571% * 0.0265% (0.26 1.0 0.02 0.02) = 0.026% HB3 GLU- 64 - HB2 GLU- 50 3.571% * 0.0264% (0.26 1.0 0.02 0.02) = 0.026% HB3 GLU- 10 - HB2 GLU- 50 3.571% * 0.0264% (0.26 1.0 0.02 0.02) = 0.026% HB VAL 62 - HB2 GLU- 50 3.571% * 0.0264% (0.26 1.0 0.02 0.02) = 0.026% HB ILE 101 - HB3 GLU- 45 3.571% * 0.0238% (0.23 1.0 0.02 0.02) = 0.024% HB3 PRO 31 - HB2 GLU- 50 3.571% * 0.0215% (0.21 1.0 0.02 0.02) = 0.022% HB ILE 101 - HB2 GLU- 50 3.571% * 0.0193% (0.19 1.0 0.02 0.02) = 0.019% HB3 GLU- 107 - HB3 GLU- 45 3.571% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% HG2 PRO 116 - HB3 GLU- 45 3.571% * 0.0129% (0.13 1.0 0.02 0.02) = 0.013% HB3 GLU- 107 - HB2 GLU- 50 3.571% * 0.0119% (0.12 1.0 0.02 0.02) = 0.012% HG2 PRO 116 - HB2 GLU- 50 3.571% * 0.0105% (0.10 1.0 0.02 0.02) = 0.010% Peak 2337 (1.82, 1.81, 29.24 ppm): 3 diagonal assignments: * HD3 LYS+ 72 - HD3 LYS+ 72 (0.97) kept HG3 LYS+ 108 - HG3 LYS+ 108 (0.88) kept HD3 LYS+ 117 - HD3 LYS+ 117 (0.21) kept Peak 2340 (1.75, 2.38, 29.24 ppm): 8 chemical-shift based assignments, quality = 0.822, support = 0.768, residual support = 0.675: HB2 LEU 17 - HB3 GLU- 50 12.500% * 33.7592% (0.85 1.15 0.45) = 33.759% kept HB ILE 48 - HB3 GLU- 50 12.500% * 21.2270% (0.81 0.76 0.87) = 21.227% kept HD3 PRO 59 - HB3 GLU- 50 12.500% * 15.7658% (0.75 0.61 0.83) = 15.766% kept HB3 LEU 23 - HB3 GLU- 50 12.500% * 13.6955% (0.88 0.45 1.50) = 13.696% kept HB2 LYS+ 117 - HB3 GLU- 50 12.500% * 13.2091% (0.89 0.43 0.02) = 13.209% kept HG2 ARG+ 84 - HB3 GLU- 50 12.500% * 2.0955% (0.18 0.34 0.02) = 2.095% kept HB3 GLU- 18 - HB3 GLU- 50 12.500% * 0.1387% (0.20 0.02 0.02) = 0.139% HB2 ARG+ 84 - HB3 GLU- 50 12.500% * 0.1091% (0.16 0.02 0.02) = 0.109% Peak 2356 (1.67, 1.67, 29.25 ppm): 1 diagonal assignment: * HB3 MET 126 - HB3 MET 126 (0.87) kept Peak 2387 (1.51, 1.81, 29.24 ppm): 15 chemical-shift based assignments, quality = 0.925, support = 1.79, residual support = 23.1: * O HG3 LYS+ 72 - HD3 LYS+ 72 6.667% * 51.2584% (0.98 10.0 2.47 25.75) = 51.258% kept O HB2 LYS+ 72 - HD3 LYS+ 72 6.667% * 27.4234% (0.92 10.0 1.14 25.75) = 27.423% kept O HD3 LYS+ 108 - HG3 LYS+ 108 6.667% * 21.1097% (0.81 10.0 1.00 13.53) = 21.110% kept HG3 LYS+ 72 - HG3 LYS+ 108 6.667% * 0.0495% (0.95 1.0 0.02 0.02) = 0.050% HB2 LYS+ 72 - HG3 LYS+ 108 6.667% * 0.0467% (0.89 1.0 0.02 0.02) = 0.047% HD3 LYS+ 108 - HD3 LYS+ 72 6.667% * 0.0437% (0.83 1.0 0.02 0.02) = 0.044% HG3 LYS+ 72 - HD3 LYS+ 117 6.667% * 0.0126% (0.24 1.0 0.02 0.02) = 0.013% HB2 LYS+ 72 - HD3 LYS+ 117 6.667% * 0.0118% (0.23 1.0 0.02 0.02) = 0.012% HD3 LYS+ 108 - HD3 LYS+ 117 6.667% * 0.0107% (0.20 1.0 0.02 0.02) = 0.011% QB ALA 70 - HD3 LYS+ 72 6.667% * 0.0081% (0.15 1.0 0.02 2.40) = 0.008% QB ALA 70 - HG3 LYS+ 108 6.667% * 0.0078% (0.15 1.0 0.02 0.02) = 0.008% HB3 LYS+ 44 - HD3 LYS+ 72 6.667% * 0.0071% (0.14 1.0 0.02 0.02) = 0.007% HB3 LYS+ 44 - HG3 LYS+ 108 6.667% * 0.0068% (0.13 1.0 0.02 0.02) = 0.007% QB ALA 70 - HD3 LYS+ 117 6.667% * 0.0020% (0.04 1.0 0.02 0.02) = 0.002% HB3 LYS+ 44 - HD3 LYS+ 117 6.667% * 0.0017% (0.03 1.0 0.02 0.02) = 0.002% Peak 2391 (1.46, 1.67, 29.25 ppm): 13 chemical-shift based assignments, quality = 0.671, support = 0.347, residual support = 0.171: T HG3 PRO 52 - HB3 MET 126 7.692% * 46.7702% (0.75 10.00 0.38 0.02) = 46.770% kept T HG2 PRO 59 - HB3 MET 126 7.692% * 23.6950% (0.93 10.00 0.15 0.02) = 23.695% kept T HG3 LYS+ 113 - HB3 MET 126 7.692% * 20.8917% (0.29 10.00 0.44 0.64) = 20.892% kept HD3 LYS+ 113 - HB3 MET 126 7.692% * 3.5430% (0.21 1.00 1.04 0.64) = 3.543% kept T HG3 LYS+ 60 - HB3 MET 126 7.692% * 3.0648% (0.93 10.00 0.02 0.02) = 3.065% kept HG3 ARG+ 22 - HB3 MET 126 7.692% * 1.1010% (0.23 1.00 0.29 0.02) = 1.101% kept HG13 ILE 48 - HB3 MET 126 7.692% * 0.2964% (0.90 1.00 0.02 0.02) = 0.296% HB3 LEU 67 - HB3 MET 126 7.692% * 0.2230% (0.68 1.00 0.02 0.02) = 0.223% HG LEU 90 - HB3 MET 126 7.692% * 0.1616% (0.49 1.00 0.02 0.02) = 0.162% HG3 LYS+ 55 - HB3 MET 126 7.692% * 0.0766% (0.23 1.00 0.02 0.02) = 0.077% HB3 LYS+ 44 - HB3 MET 126 7.692% * 0.0684% (0.21 1.00 0.02 0.02) = 0.068% QB ALA 70 - HB3 MET 126 7.692% * 0.0608% (0.19 1.00 0.02 0.02) = 0.061% QG2 THR 38 - HB3 MET 126 7.692% * 0.0474% (0.14 1.00 0.02 0.02) = 0.047% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2403 (1.09, 4.00, 70.67 ppm): 3 chemical-shift based assignments, quality = 0.763, support = 2.91, residual support = 29.9: * O T QG2 THR 95 - HB THR 95 33.333% * 99.6868% (0.77 10.0 10.00 2.92 30.01) = 99.687% kept T QG2 THR 61 - HB THR 95 33.333% * 0.2180% (0.17 1.0 10.00 0.02 0.02) = 0.218% QG2 THR 79 - HB THR 95 33.333% * 0.0951% (0.73 1.0 1.00 0.02 0.02) = 0.095% Peak 2407 (0.95, 2.39, 29.27 ppm): 9 chemical-shift based assignments, quality = 0.543, support = 0.171, residual support = 0.17: QG2 VAL 73 - HB3 GLU- 50 11.111% * 33.6835% (0.70 0.16 0.02) = 33.683% kept QD1 LEU 17 - HB3 GLU- 50 11.111% * 29.9861% (0.32 0.31 0.45) = 29.986% kept QG2 ILE 29 - HB3 GLU- 50 11.111% * 18.5281% (0.72 0.09 0.13) = 18.528% kept HG12 ILE 68 - HB3 GLU- 50 11.111% * 5.0055% (0.14 0.12 0.02) = 5.005% kept QG2 VAL 99 - HB3 GLU- 50 11.111% * 4.5324% (0.75 0.02 0.02) = 4.532% kept QG2 VAL 62 - HB3 GLU- 50 11.111% * 3.7607% (0.63 0.02 0.02) = 3.761% kept QG1 VAL 105 - HB3 GLU- 50 11.111% * 2.1056% (0.35 0.02 0.02) = 2.106% kept QG2 VAL 105 - HB3 GLU- 50 11.111% * 1.7626% (0.29 0.02 0.02) = 1.763% kept HG3 LYS+ 110 - HB3 GLU- 50 11.111% * 0.6356% (0.11 0.02 0.02) = 0.636% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 2410 (0.91, 4.00, 70.60 ppm): 13 chemical-shift based assignments, quality = 0.617, support = 0.206, residual support = 0.375: QD1 LEU 17 - HB THR 95 7.692% * 22.9566% (0.17 0.61 1.09) = 22.957% kept QG2 VAL 40 - HB THR 95 7.692% * 21.9710% (0.86 0.11 0.02) = 21.971% kept QD1 LEU 67 - HB THR 95 7.692% * 17.8745% (0.94 0.08 0.28) = 17.875% kept HG3 LYS+ 110 - HB THR 95 7.692% * 15.4562% (0.47 0.15 0.19) = 15.456% kept HG3 LYS+ 117 - HB THR 95 7.692% * 4.3163% (0.96 0.02 0.02) = 4.316% kept QG1 VAL 47 - HB THR 95 7.692% * 4.0921% (0.91 0.02 0.02) = 4.092% kept QG2 VAL 87 - HB THR 95 7.692% * 3.8796% (0.86 0.02 0.02) = 3.880% kept QG2 VAL 80 - HB THR 95 7.692% * 2.6238% (0.58 0.02 0.70) = 2.624% kept QG1 VAL 80 - HB THR 95 7.692% * 2.4491% (0.54 0.02 0.70) = 2.449% kept HG12 ILE 68 - HB THR 95 7.692% * 1.7784% (0.39 0.02 0.02) = 1.778% kept QG2 VAL 125 - HB THR 95 7.692% * 1.0787% (0.24 0.02 0.02) = 1.079% kept QG2 VAL 105 - HB THR 95 7.692% * 0.8561% (0.19 0.02 0.02) = 0.856% QG1 VAL 105 - HB THR 95 7.692% * 0.6675% (0.15 0.02 0.02) = 0.667% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 2414 (0.68, 4.00, 70.69 ppm): 9 chemical-shift based assignments, quality = 0.913, support = 2.93, residual support = 32.0: * T HG12 ILE 19 - HB THR 95 11.111% * 45.4610% (0.95 10.00 2.63 33.75) = 45.461% kept T QD1 ILE 19 - HB THR 95 11.111% * 42.8135% (0.90 10.00 3.14 33.75) = 42.814% kept QG2 VAL 94 - HB THR 95 11.111% * 8.8348% (0.94 1.00 3.95 22.32) = 8.835% kept QG2 THR 96 - HB THR 95 11.111% * 1.6137% (0.30 1.00 2.25 17.52) = 1.614% kept QG2 ILE 48 - HB THR 95 11.111% * 1.0267% (0.97 1.00 0.44 0.02) = 1.027% kept QG1 VAL 62 - HB THR 95 11.111% * 0.1479% (0.78 1.00 0.08 0.02) = 0.148% QG2 ILE 68 - HB THR 95 11.111% * 0.0448% (0.94 1.00 0.02 0.02) = 0.045% QG2 ILE 101 - HB THR 95 11.111% * 0.0351% (0.73 1.00 0.02 0.02) = 0.035% QG1 VAL 65 - HB THR 95 11.111% * 0.0226% (0.47 1.00 0.02 0.02) = 0.023% Peak 2416 (0.70, 0.39, 29.23 ppm): 12 chemical-shift based assignments, quality = 0.825, support = 5.17, residual support = 134.1: * O T QG2 ILE 48 - HG12 ILE 48 8.333% * 90.0319% (0.83 10.0 10.00 5.64 148.88) = 90.032% kept QG1 VAL 65 - HG12 ILE 48 8.333% * 5.6605% (0.87 1.0 1.00 1.20 1.27) = 5.660% kept QG2 THR 96 - HG12 ILE 48 8.333% * 3.2682% (0.90 1.0 1.00 0.67 0.02) = 3.268% kept QG2 ILE 101 - HG12 ILE 48 8.333% * 0.5084% (0.89 1.0 1.00 0.10 0.14) = 0.508% HG LEU 74 - HG12 ILE 48 8.333% * 0.2737% (0.58 1.0 1.00 0.09 0.02) = 0.274% QD1 ILE 19 - HG12 ILE 48 8.333% * 0.0553% (0.51 1.0 1.00 0.02 0.02) = 0.055% QG2 VAL 94 - HG12 ILE 48 8.333% * 0.0475% (0.44 1.0 1.00 0.02 0.02) = 0.048% QG2 ILE 68 - HG12 ILE 48 8.333% * 0.0475% (0.44 1.0 1.00 0.02 0.02) = 0.048% HG12 ILE 19 - HG12 ILE 48 8.333% * 0.0438% (0.40 1.0 1.00 0.02 0.02) = 0.044% QG1 VAL 40 - HG12 ILE 48 8.333% * 0.0244% (0.22 1.0 1.00 0.02 0.02) = 0.024% QD1 ILE 68 - HG12 ILE 48 8.333% * 0.0217% (0.20 1.0 1.00 0.02 0.02) = 0.022% QG2 VAL 65 - HG12 ILE 48 8.333% * 0.0171% (0.16 1.0 1.00 0.02 1.27) = 0.017% Peak 2419 (0.39, 1.46, 29.22 ppm): 2 chemical-shift based assignments, quality = 0.905, support = 5.14, residual support = 148.9: O T QD1 ILE 48 - HG13 ILE 48 50.000% * 50.0000% (0.90 10.0 10.00 5.18 148.88) = 50.000% kept * O T HG12 ILE 48 - HG13 ILE 48 50.000% * 50.0000% (0.90 10.0 10.00 5.11 148.88) = 50.000% kept Peak 2421 (0.39, 0.39, 29.23 ppm): 1 diagonal assignment: * HG12 ILE 48 - HG12 ILE 48 (0.85) kept Peak 2428 (-0.28, 4.29, 70.66 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2432 (7.35, 1.59, 29.06 ppm): 10 chemical-shift based assignments, quality = 0.505, support = 2.97, residual support = 16.5: * HZ PHE 34 - HD3 LYS+ 32 10.000% * 34.4921% (0.54 3.74 21.84) = 34.492% kept QE PHE 34 - HD3 LYS+ 32 10.000% * 31.5580% (0.54 3.43 21.84) = 31.558% kept HE22 GLN 102 - HD3 LYS+ 32 10.000% * 13.3873% (0.54 1.45 1.27) = 13.387% kept HZ2 TRP 51 - HD3 LYS+ 32 10.000% * 12.2210% (0.54 1.33 1.20) = 12.221% kept QD PHE 34 - HD3 LYS+ 32 10.000% * 8.2505% (0.17 2.90 21.84) = 8.251% kept HE22 GLN 102 - HD3 LYS+ 60 10.000% * 0.0211% (0.06 0.02 0.02) = 0.021% HZ2 TRP 51 - HD3 LYS+ 60 10.000% * 0.0211% (0.06 0.02 0.02) = 0.021% QE PHE 34 - HD3 LYS+ 60 10.000% * 0.0211% (0.06 0.02 0.02) = 0.021% HZ PHE 34 - HD3 LYS+ 60 10.000% * 0.0211% (0.06 0.02 0.02) = 0.021% QD PHE 34 - HD3 LYS+ 60 10.000% * 0.0065% (0.02 0.02 0.02) = 0.007% Peak 2434 (4.52, 1.58, 28.84 ppm): 14 chemical-shift based assignments, quality = 0.393, support = 0.337, residual support = 0.441: HA LYS+ 55 - HD3 LYS+ 60 7.143% * 45.0947% (0.50 0.37 0.02) = 45.095% kept HA LYS+ 55 - HD3 LYS+ 32 7.143% * 35.1723% (0.31 0.46 1.22) = 35.172% kept HA ALA 103 - HD3 LYS+ 32 7.143% * 5.9703% (0.25 0.10 0.02) = 5.970% kept HB THR 46 - HD3 LYS+ 60 7.143% * 3.1319% (0.64 0.02 0.02) = 3.132% kept HB THR 46 - HD3 LYS+ 32 7.143% * 1.9597% (0.40 0.02 0.02) = 1.960% kept HA ALA 103 - HD3 LYS+ 60 7.143% * 1.9380% (0.40 0.02 0.02) = 1.938% kept HB THR 79 - HD3 LYS+ 60 7.143% * 1.5553% (0.32 0.02 0.02) = 1.555% kept HA CYS 123 - HD3 LYS+ 32 7.143% * 1.5166% (0.08 0.08 0.02) = 1.517% kept HB THR 79 - HD3 LYS+ 32 7.143% * 0.9731% (0.20 0.02 0.02) = 0.973% HA CYS 123 - HD3 LYS+ 60 7.143% * 0.6323% (0.13 0.02 0.02) = 0.632% HA SER 77 - HD3 LYS+ 60 7.143% * 0.6323% (0.13 0.02 0.02) = 0.632% HA LEU 17 - HD3 LYS+ 60 7.143% * 0.6323% (0.13 0.02 0.02) = 0.632% HA SER 77 - HD3 LYS+ 32 7.143% * 0.3956% (0.08 0.02 0.02) = 0.396% HA LEU 17 - HD3 LYS+ 32 7.143% * 0.3956% (0.08 0.02 0.59) = 0.396% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2435 (3.10, 3.08, 28.99 ppm): 2 chemical-shift based assignments, quality = 0.126, support = 0.225, residual support = 3.76: * HA VAL 47 - HB3 TRP 51 50.000% * 94.0480% (0.13 0.24 4.00) = 94.048% kept HB3 ASP- 25 - HB3 TRP 51 50.000% * 5.9520% (0.10 0.02 0.02) = 5.952% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 2436 (2.06, 2.10, 28.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2437 (2.05, 2.02, 29.04 ppm): 2 diagonal assignments: * HB3 GLU- 54 - HB3 GLU- 54 (0.22) kept HB2 GLU- 45 - HB2 GLU- 45 (0.20) kept Peak 2440 (1.56, 1.57, 28.87 ppm): 1 diagonal assignment: * HD3 LYS+ 60 - HD3 LYS+ 60 (0.82) kept Peak 2441 (8.27, 4.15, 70.06 ppm): 6 chemical-shift based assignments, quality = 0.371, support = 2.68, residual support = 18.4: * O HN THR 106 - HB THR 106 16.667% * 99.5412% (0.37 10.0 2.70 18.53) = 99.541% kept HN ASN 89 - HB THR 106 16.667% * 0.1747% (0.65 1.0 0.02 0.02) = 0.175% HN ASP- 115 - HB THR 106 16.667% * 0.1148% (0.43 1.0 0.02 0.02) = 0.115% HN ASP- 28 - HB THR 106 16.667% * 0.1071% (0.40 1.0 0.02 0.02) = 0.107% HN ALA 91 - HB THR 106 16.667% * 0.0331% (0.12 1.0 0.02 0.02) = 0.033% HN GLU- 12 - HB THR 106 16.667% * 0.0292% (0.11 1.0 0.02 0.02) = 0.029% Peak 2442 (7.87, 4.04, 70.02 ppm): 4 chemical-shift based assignments, quality = 0.653, support = 3.17, residual support = 20.0: * O HN THR 38 - HB THR 38 25.000% * 98.4379% (0.65 10.0 3.22 20.35) = 98.438% kept HN LEU 90 - HB THR 38 25.000% * 1.3768% (0.65 1.0 0.28 0.02) = 1.377% kept HD22 ASN 89 - HB THR 38 25.000% * 0.1073% (0.71 1.0 0.02 0.02) = 0.107% HN LYS+ 44 - HB THR 38 25.000% * 0.0780% (0.52 1.0 0.02 0.02) = 0.078% Peak 2445 (4.36, 1.56, 28.63 ppm): 8 chemical-shift based assignments, quality = 0.599, support = 3.29, residual support = 39.2: * T HA LYS+ 60 - HD3 LYS+ 60 12.500% * 82.0454% (0.58 10.00 3.59 45.24) = 82.045% kept HB THR 61 - HD3 LYS+ 60 12.500% * 13.6634% (0.77 1.00 2.48 15.13) = 13.663% kept HA2 GLY 26 - HD3 LYS+ 60 12.500% * 1.6396% (0.82 1.00 0.28 0.02) = 1.640% kept HA ALA 37 - HD3 LYS+ 60 12.500% * 1.4425% (0.47 1.00 0.43 0.02) = 1.443% kept T HA TRP 51 - HD3 LYS+ 60 12.500% * 0.8673% (0.61 10.00 0.02 0.02) = 0.867% HA SER 27 - HD3 LYS+ 60 12.500% * 0.2783% (0.44 1.00 0.09 0.02) = 0.278% HA ALA 91 - HD3 LYS+ 60 12.500% * 0.0369% (0.26 1.00 0.02 0.02) = 0.037% HA SER 88 - HD3 LYS+ 60 12.500% * 0.0266% (0.19 1.00 0.02 0.02) = 0.027% Peak 2450 (4.17, 4.16, 70.07 ppm): 1 diagonal assignment: * HB THR 106 - HB THR 106 (0.91) kept Peak 2454 (4.03, 4.03, 70.09 ppm): 1 diagonal assignment: * HB THR 38 - HB THR 38 (0.09) kept Peak 2460 (2.91, 1.56, 28.65 ppm): 10 chemical-shift based assignments, quality = 0.661, support = 1.04, residual support = 44.8: * O T HE3 LYS+ 60 - HD3 LYS+ 60 10.000% * 99.0560% (0.67 10.0 10.00 1.05 45.24) = 99.056% kept HB2 HIS+ 98 - HD3 LYS+ 60 10.000% * 0.5877% (0.87 1.0 1.00 0.09 0.02) = 0.588% HE3 LYS+ 81 - HD3 LYS+ 60 10.000% * 0.1162% (0.78 1.0 1.00 0.02 0.13) = 0.116% HB2 CYS 121 - HD3 LYS+ 60 10.000% * 0.1124% (0.76 1.0 1.00 0.02 0.02) = 0.112% HB3 ASN 57 - HD3 LYS+ 60 10.000% * 0.1083% (0.73 1.0 1.00 0.02 0.02) = 0.108% HB2 HIS+ 98 - HD3 LYS+ 32 10.000% * 0.0044% (0.03 1.0 1.00 0.02 0.02) = 0.004% HE3 LYS+ 81 - HD3 LYS+ 32 10.000% * 0.0040% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB2 CYS 121 - HD3 LYS+ 32 10.000% * 0.0038% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 ASN 57 - HD3 LYS+ 32 10.000% * 0.0037% (0.02 1.0 1.00 0.02 0.02) = 0.004% HE3 LYS+ 60 - HD3 LYS+ 32 10.000% * 0.0034% (0.02 1.0 1.00 0.02 0.16) = 0.003% Peak 2461 (2.91, 1.50, 28.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2462 (2.91, 1.17, 28.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2463 (2.76, 1.17, 28.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2465 (1.86, 1.56, 28.50 ppm): 11 chemical-shift based assignments, quality = 0.363, support = 2.92, residual support = 40.4: * O HB3 LYS+ 60 - HD3 LYS+ 60 9.091% * 85.7694% (0.36 10.0 3.10 45.24) = 85.769% kept HD2 PRO 59 - HD3 LYS+ 60 9.091% * 10.2178% (0.45 1.0 1.91 12.86) = 10.218% kept HB2 PRO 59 - HD3 LYS+ 60 9.091% * 2.4954% (0.08 1.0 2.66 12.86) = 2.495% kept HB2 PRO 104 - HD3 LYS+ 60 9.091% * 1.0538% (0.39 1.0 0.23 0.02) = 1.054% kept HB VAL 94 - HD3 LYS+ 60 9.091% * 0.1062% (0.45 1.0 0.02 0.02) = 0.106% HB3 LYS+ 72 - HD3 LYS+ 60 9.091% * 0.0895% (0.38 1.0 0.02 0.02) = 0.089% HB3 ARG+ 84 - HD3 LYS+ 60 9.091% * 0.0778% (0.33 1.0 0.02 0.02) = 0.078% HD3 PRO 52 - HD3 LYS+ 60 9.091% * 0.0736% (0.31 1.0 0.02 0.02) = 0.074% HG3 LYS+ 120 - HD3 LYS+ 60 9.091% * 0.0480% (0.20 1.0 0.02 0.02) = 0.048% HB2 LYS+ 66 - HD3 LYS+ 60 9.091% * 0.0480% (0.20 1.0 0.02 0.02) = 0.048% HG2 PRO 112 - HD3 LYS+ 60 9.091% * 0.0207% (0.09 1.0 0.02 0.02) = 0.021% Peak 2466 (1.63, 0.92, 28.65 ppm): 10 chemical-shift based assignments, quality = 0.206, support = 5.11, residual support = 82.1: * O T HB ILE 68 - HG12 ILE 68 10.000% * 88.6144% (0.21 10.0 10.00 5.71 92.61) = 88.614% kept T HG LEU 43 - HG12 ILE 68 10.000% * 7.7551% (0.21 1.0 10.00 0.18 0.61) = 7.755% kept HG2 ARG+ 22 - HG12 ILE 68 10.000% * 3.2031% (0.12 1.0 1.00 1.25 0.02) = 3.203% kept HG LEU 23 - HG12 ILE 68 10.000% * 0.0904% (0.21 1.0 1.00 0.02 0.02) = 0.090% HG12 ILE 101 - HG12 ILE 68 10.000% * 0.0896% (0.21 1.0 1.00 0.02 0.10) = 0.090% HB VAL 122 - HG12 ILE 68 10.000% * 0.0886% (0.21 1.0 1.00 0.02 0.02) = 0.089% HG3 LYS+ 78 - HG12 ILE 68 10.000% * 0.0724% (0.17 1.0 1.00 0.02 0.02) = 0.072% HG2 LYS+ 110 - HG12 ILE 68 10.000% * 0.0405% (0.10 1.0 1.00 0.02 0.02) = 0.041% HB3 PRO 52 - HG12 ILE 68 10.000% * 0.0279% (0.07 1.0 1.00 0.02 0.02) = 0.028% HD3 LYS+ 32 - HG12 ILE 68 10.000% * 0.0179% (0.04 1.0 1.00 0.02 0.02) = 0.018% Peak 2469 (1.57, 1.34, 28.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2470 (1.50, 1.49, 28.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2471 (1.46, 1.17, 28.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2472 (1.42, 4.04, 70.00 ppm): 13 chemical-shift based assignments, quality = 0.67, support = 2.28, residual support = 18.2: * O QG2 THR 38 - HB THR 38 7.692% * 87.5193% (0.68 10.0 2.45 20.35) = 87.519% kept QB ALA 37 - HB THR 38 7.692% * 5.5223% (0.68 1.0 1.26 5.32) = 5.522% kept QB ALA 91 - HB THR 38 7.692% * 5.3710% (0.72 1.0 1.15 0.90) = 5.371% kept HG LEU 67 - HB THR 38 7.692% * 0.9964% (0.54 1.0 0.29 0.10) = 0.996% HD3 LYS+ 44 - HB THR 38 7.692% * 0.0989% (0.77 1.0 0.02 0.02) = 0.099% HD3 LYS+ 113 - HB THR 38 7.692% * 0.0771% (0.60 1.0 0.02 0.02) = 0.077% HG3 ARG+ 22 - HB THR 38 7.692% * 0.0733% (0.57 1.0 0.02 0.02) = 0.073% HG3 LYS+ 55 - HB THR 38 7.692% * 0.0733% (0.57 1.0 0.02 0.02) = 0.073% HG13 ILE 100 - HB THR 38 7.692% * 0.0653% (0.51 1.0 0.02 0.02) = 0.065% QB ALA 93 - HB THR 38 7.692% * 0.0653% (0.51 1.0 0.02 0.02) = 0.065% HG3 LYS+ 113 - HB THR 38 7.692% * 0.0653% (0.51 1.0 0.02 0.02) = 0.065% HG LEU 90 - HB THR 38 7.692% * 0.0415% (0.32 1.0 0.02 0.02) = 0.041% HD3 LYS+ 20 - HB THR 38 7.692% * 0.0311% (0.24 1.0 0.02 0.11) = 0.031% Peak 2473 (1.42, 1.57, 28.60 ppm): 13 chemical-shift based assignments, quality = 0.58, support = 0.104, residual support = 0.0219: HG13 ILE 100 - HD3 LYS+ 60 7.692% * 26.4831% (0.55 0.18 0.02) = 26.483% kept QG2 THR 38 - HD3 LYS+ 60 7.692% * 17.8267% (0.60 0.11 0.02) = 17.827% kept HG LEU 67 - HD3 LYS+ 60 7.692% * 17.6502% (0.58 0.11 0.02) = 17.650% kept QB ALA 37 - HD3 LYS+ 60 7.692% * 14.5901% (0.70 0.08 0.02) = 14.590% kept HD3 LYS+ 44 - HD3 LYS+ 60 7.692% * 3.8227% (0.71 0.02 0.02) = 3.823% kept QB ALA 91 - HD3 LYS+ 60 7.692% * 3.5054% (0.65 0.02 0.02) = 3.505% kept QB ALA 93 - HD3 LYS+ 60 7.692% * 2.9345% (0.55 0.02 0.02) = 2.934% kept HD3 LYS+ 113 - HD3 LYS+ 60 7.692% * 2.7759% (0.52 0.02 0.02) = 2.776% kept HG3 LYS+ 55 - HD3 LYS+ 60 7.692% * 2.6142% (0.49 0.02 0.02) = 2.614% kept HG3 ARG+ 22 - HD3 LYS+ 60 7.692% * 2.6142% (0.49 0.02 0.02) = 2.614% kept HG3 LYS+ 113 - HD3 LYS+ 60 7.692% * 2.2879% (0.43 0.02 0.02) = 2.288% kept HD3 LYS+ 20 - HD3 LYS+ 60 7.692% * 1.5167% (0.28 0.02 0.15) = 1.517% kept HG LEU 90 - HD3 LYS+ 60 7.692% * 1.3785% (0.26 0.02 0.02) = 1.378% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 2474 (1.17, 4.16, 70.07 ppm): 5 chemical-shift based assignments, quality = 0.936, support = 2.19, residual support = 18.5: * O T QG2 THR 106 - HB THR 106 20.000% * 99.7048% (0.94 10.0 10.00 2.19 18.53) = 99.705% kept HB2 LEU 43 - HB THR 106 20.000% * 0.0977% (0.92 1.0 1.00 0.02 0.02) = 0.098% HB2 LEU 74 - HB THR 106 20.000% * 0.0865% (0.81 1.0 1.00 0.02 0.02) = 0.086% HG3 PRO 59 - HB THR 106 20.000% * 0.0833% (0.78 1.0 1.00 0.02 0.02) = 0.083% QB ALA 33 - HB THR 106 20.000% * 0.0277% (0.26 1.0 1.00 0.02 0.02) = 0.028% Peak 2475 (1.18, 1.49, 28.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2476 (1.18, 1.17, 28.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2478 (0.93, 1.58, 28.57 ppm): 11 chemical-shift based assignments, quality = 0.364, support = 0.352, residual support = 0.131: QG2 VAL 62 - HD3 LYS+ 60 9.091% * 25.9251% (0.36 0.45 0.45) = 25.925% kept QG2 VAL 105 - HD3 LYS+ 60 9.091% * 25.7189% (0.45 0.36 0.02) = 25.719% kept HG12 ILE 68 - HD3 LYS+ 60 9.091% * 22.5340% (0.39 0.36 0.02) = 22.534% kept QG2 ILE 29 - HD3 LYS+ 60 9.091% * 15.7639% (0.29 0.34 0.02) = 15.764% kept QG2 VAL 99 - HD3 LYS+ 60 9.091% * 3.8389% (0.12 0.19 0.02) = 3.839% kept QD1 LEU 17 - HD3 LYS+ 60 9.091% * 1.4374% (0.45 0.02 0.02) = 1.437% kept QG1 VAL 105 - HD3 LYS+ 60 9.091% * 1.4342% (0.45 0.02 0.02) = 1.434% kept HG3 LYS+ 110 - HD3 LYS+ 60 9.091% * 1.1510% (0.36 0.02 0.02) = 1.151% kept QG2 VAL 73 - HD3 LYS+ 60 9.091% * 0.9874% (0.31 0.02 0.02) = 0.987% QG2 VAL 80 - HD3 LYS+ 60 9.091% * 0.9874% (0.31 0.02 0.02) = 0.987% HG3 LYS+ 117 - HD3 LYS+ 60 9.091% * 0.2218% (0.07 0.02 0.02) = 0.222% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2479 (0.91, 4.04, 70.01 ppm): 12 chemical-shift based assignments, quality = 0.534, support = 0.529, residual support = 0.543: QG2 VAL 40 - HB THR 38 8.333% * 28.6258% (0.56 0.70 0.90) = 28.626% kept HG3 LYS+ 117 - HB THR 38 8.333% * 27.4878% (0.61 0.62 0.40) = 27.488% kept QD1 LEU 67 - HB THR 38 8.333% * 20.9767% (0.60 0.48 0.10) = 20.977% kept QG2 VAL 80 - HB THR 38 8.333% * 9.2233% (0.34 0.37 0.97) = 9.223% kept * QG1 VAL 80 - HB THR 38 8.333% * 6.6432% (0.37 0.25 0.97) = 6.643% kept QG2 VAL 87 - HB THR 38 8.333% * 3.7577% (0.56 0.09 0.02) = 3.758% kept HG12 ILE 68 - HB THR 38 8.333% * 1.5042% (0.23 0.09 0.02) = 1.504% kept QG1 VAL 47 - HB THR 38 8.333% * 0.8507% (0.59 0.02 0.02) = 0.851% HG3 LYS+ 110 - HB THR 38 8.333% * 0.3952% (0.27 0.02 0.02) = 0.395% QG2 VAL 125 - HB THR 38 8.333% * 0.2451% (0.17 0.02 0.02) = 0.245% QG2 VAL 105 - HB THR 38 8.333% * 0.1544% (0.11 0.02 0.02) = 0.154% QD1 LEU 17 - HB THR 38 8.333% * 0.1360% (0.09 0.02 0.02) = 0.136% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2480 (0.77, 1.78, 28.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2481 (0.70, 1.58, 28.48 ppm): 11 chemical-shift based assignments, quality = 0.291, support = 0.797, residual support = 0.845: QG2 ILE 48 - HD3 LYS+ 60 9.091% * 35.3261% (0.32 1.30 1.86) = 35.326% kept QG2 THR 96 - HD3 LYS+ 60 9.091% * 15.9003% (0.32 0.59 0.02) = 15.900% kept QG2 ILE 101 - HD3 LYS+ 60 9.091% * 14.5184% (0.34 0.51 0.02) = 14.518% kept QG1 VAL 65 - HD3 LYS+ 60 9.091% * 11.6224% (0.34 0.40 0.02) = 11.622% kept HG LEU 74 - HD3 LYS+ 60 9.091% * 11.1266% (0.17 0.80 1.30) = 11.127% kept QD1 ILE 19 - HD3 LYS+ 60 9.091% * 6.3636% (0.25 0.31 0.42) = 6.364% kept QG1 VAL 62 - HD3 LYS+ 60 9.091% * 2.1188% (0.06 0.42 0.45) = 2.119% kept QG1 VAL 40 - HD3 LYS+ 60 9.091% * 1.9326% (0.05 0.44 0.02) = 1.933% kept QG2 VAL 94 - HD3 LYS+ 60 9.091% * 0.3715% (0.22 0.02 0.02) = 0.371% QG2 ILE 68 - HD3 LYS+ 60 9.091% * 0.3715% (0.22 0.02 0.02) = 0.371% HG12 ILE 19 - HD3 LYS+ 60 9.091% * 0.3483% (0.21 0.02 0.42) = 0.348% Peak 2482 (0.62, 1.58, 28.44 ppm): 2 chemical-shift based assignments, quality = 0.0886, support = 1.29, residual support = 1.85: QG2 ILE 48 - HD3 LYS+ 60 50.000% * 99.4440% (0.09 1.30 1.86) = 99.444% kept QD1 LEU 23 - HD3 LYS+ 60 50.000% * 0.5560% (0.03 0.02 0.02) = 0.556% Not enough quality. Peak unassigned. Peak 2483 (9.31, 1.62, 28.17 ppm): 4 chemical-shift based assignments, quality = 0.618, support = 4.23, residual support = 70.3: * HN LEU 23 - HG LEU 23 25.000% * 53.8279% (0.44 6.18 120.20) = 53.828% kept HN ILE 29 - HG LEU 23 25.000% * 38.3876% (0.86 2.28 14.52) = 38.388% kept HN ILE 29 - HB VAL 122 25.000% * 5.5732% (0.75 0.38 0.45) = 5.573% kept HN LEU 23 - HB VAL 122 25.000% * 2.2113% (0.39 0.29 0.02) = 2.211% kept Peak 2485 (4.99, 1.38, 28.44 ppm): 4 chemical-shift based assignments, quality = 0.721, support = 4.8, residual support = 84.1: * O HA ILE 68 - HG13 ILE 68 25.000% * 89.6224% (0.74 10.0 5.04 92.61) = 89.622% kept HA SER 69 - HG13 ILE 68 25.000% * 10.2609% (0.60 1.0 2.80 10.87) = 10.261% kept HA PRO 31 - HG13 ILE 68 25.000% * 0.0912% (0.75 1.0 0.02 0.02) = 0.091% HA MET 97 - HG13 ILE 68 25.000% * 0.0254% (0.21 1.0 0.02 0.46) = 0.025% Peak 2486 (4.99, 0.93, 28.37 ppm): 4 chemical-shift based assignments, quality = 0.82, support = 5.51, residual support = 78.0: * O HA ILE 68 - HG12 ILE 68 25.000% * 82.3079% (0.82 10.0 5.95 92.61) = 82.308% kept HA SER 69 - HG12 ILE 68 25.000% * 16.6450% (0.89 1.0 3.71 10.87) = 16.645% kept HA MET 97 - HG12 ILE 68 25.000% * 0.9595% (0.42 1.0 0.45 0.46) = 0.960% HA PRO 31 - HG12 ILE 68 25.000% * 0.0876% (0.87 1.0 0.02 0.02) = 0.088% Peak 2487 (4.51, 2.91, 28.20 ppm): 6 chemical-shift based assignments, quality = 0.665, support = 0.0556, residual support = 0.02: HA CYS 123 - HB2 CYS 121 16.667% * 48.2587% (0.62 0.09 0.02) = 48.259% kept HB THR 79 - HB2 CYS 121 16.667% * 13.9067% (0.84 0.02 0.02) = 13.907% kept HA LYS+ 55 - HB2 CYS 121 16.667% * 13.6921% (0.83 0.02 0.02) = 13.692% kept HA SER 77 - HB2 CYS 121 16.667% * 10.3024% (0.62 0.02 0.02) = 10.302% kept HB THR 46 - HB2 CYS 121 16.667% * 10.3024% (0.62 0.02 0.02) = 10.302% kept HA LYS+ 32 - HB2 CYS 121 16.667% * 3.5377% (0.21 0.02 0.02) = 3.538% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 2491 (2.92, 2.91, 28.25 ppm): 1 diagonal assignment: * HB2 CYS 121 - HB2 CYS 121 (0.95) kept Peak 2495 (1.67, 0.68, 28.31 ppm): 9 chemical-shift based assignments, quality = 0.731, support = 4.62, residual support = 85.5: * O T HG13 ILE 19 - HG12 ILE 19 11.111% * 87.6984% (0.73 10.0 10.00 5.01 96.53) = 87.698% kept HB3 MET 97 - HG12 ILE 19 11.111% * 10.7855% (0.83 1.0 1.00 2.17 7.98) = 10.786% kept T HD3 LYS+ 55 - HG12 ILE 19 11.111% * 0.9954% (0.83 1.0 10.00 0.02 0.02) = 0.995% HB3 LYS+ 81 - HG12 ILE 19 11.111% * 0.1137% (0.95 1.0 1.00 0.02 0.02) = 0.114% HB3 MET 126 - HG12 ILE 19 11.111% * 0.1059% (0.88 1.0 1.00 0.02 0.02) = 0.106% HB ILE 100 - HG12 ILE 19 11.111% * 0.0877% (0.73 1.0 1.00 0.02 0.02) = 0.088% HB3 LYS+ 66 - HG12 ILE 19 11.111% * 0.0833% (0.69 1.0 1.00 0.02 0.02) = 0.083% HG2 PRO 52 - HG12 ILE 19 11.111% * 0.0696% (0.58 1.0 1.00 0.02 0.02) = 0.070% HG3 ARG+ 84 - HG12 ILE 19 11.111% * 0.0604% (0.50 1.0 1.00 0.02 0.02) = 0.060% Peak 2497 (1.38, 0.92, 28.42 ppm): 12 chemical-shift based assignments, quality = 0.808, support = 4.3, residual support = 88.7: * O HG13 ILE 68 - HG12 ILE 68 8.333% * 94.0047% (0.84 10.0 4.44 92.61) = 94.005% kept HG LEU 67 - HG12 ILE 68 8.333% * 4.7624% (0.32 1.0 2.70 34.86) = 4.762% kept HD3 LYS+ 20 - HG12 ILE 68 8.333% * 0.8378% (0.64 1.0 0.23 0.02) = 0.838% QG2 THR 39 - HG12 ILE 68 8.333% * 0.0889% (0.80 1.0 0.02 0.02) = 0.089% HG2 LYS+ 78 - HG12 ILE 68 8.333% * 0.0753% (0.68 1.0 0.02 0.02) = 0.075% QB ALA 11 - HG12 ILE 68 8.333% * 0.0458% (0.41 1.0 0.02 0.02) = 0.046% HB3 LYS+ 20 - HG12 ILE 68 8.333% * 0.0421% (0.38 1.0 0.02 0.02) = 0.042% QB ALA 93 - HG12 ILE 68 8.333% * 0.0386% (0.35 1.0 0.02 0.02) = 0.039% HG13 ILE 100 - HG12 ILE 68 8.333% * 0.0386% (0.35 1.0 0.02 0.93) = 0.039% HB3 LEU 17 - HG12 ILE 68 8.333% * 0.0261% (0.23 1.0 0.02 0.02) = 0.026% QB ALA 37 - HG12 ILE 68 8.333% * 0.0209% (0.19 1.0 0.02 0.02) = 0.021% HG3 LYS+ 81 - HG12 ILE 68 8.333% * 0.0186% (0.17 1.0 0.02 0.02) = 0.019% Peak 2498 (0.91, 1.39, 28.32 ppm): 24 chemical-shift based assignments, quality = 0.694, support = 4.34, residual support = 79.4: * O HG12 ILE 68 - HG13 ILE 68 4.167% * 78.3069% (0.68 10.0 4.44 92.61) = 78.307% kept QD1 LEU 67 - HG13 ILE 68 4.167% * 19.8382% (0.80 1.0 4.35 34.86) = 19.838% kept QG2 VAL 80 - HG13 ILE 68 4.167% * 0.6704% (0.86 1.0 0.14 0.02) = 0.670% QG1 VAL 47 - HG13 ILE 68 4.167% * 0.3678% (0.72 1.0 0.09 0.02) = 0.368% QG2 VAL 40 - HG13 ILE 68 4.167% * 0.2877% (0.64 1.0 0.08 0.02) = 0.288% HG3 LYS+ 117 - HG13 ILE 68 4.167% * 0.0989% (0.86 1.0 0.02 0.02) = 0.099% HG3 LYS+ 110 - HG13 ILE 68 4.167% * 0.0871% (0.76 1.0 0.02 0.02) = 0.087% QG2 VAL 87 - HG13 ILE 68 4.167% * 0.0737% (0.64 1.0 0.02 0.02) = 0.074% QG2 VAL 105 - HG13 ILE 68 4.167% * 0.0469% (0.41 1.0 0.02 0.60) = 0.047% QD1 LEU 17 - HG13 ILE 68 4.167% * 0.0428% (0.37 1.0 0.02 0.02) = 0.043% QG1 VAL 105 - HG13 ILE 68 4.167% * 0.0389% (0.34 1.0 0.02 0.60) = 0.039% QG1 VAL 80 - HG13 ILE 68 4.167% * 0.0352% (0.31 1.0 0.02 0.02) = 0.035% QG2 VAL 80 - HG13 ILE 100 4.167% * 0.0123% (0.11 1.0 0.02 0.02) = 0.012% HG3 LYS+ 117 - HG13 ILE 100 4.167% * 0.0123% (0.11 1.0 0.02 0.02) = 0.012% QD1 LEU 67 - HG13 ILE 100 4.167% * 0.0113% (0.10 1.0 0.02 8.63) = 0.011% HG3 LYS+ 110 - HG13 ILE 100 4.167% * 0.0108% (0.09 1.0 0.02 0.02) = 0.011% QG1 VAL 47 - HG13 ILE 100 4.167% * 0.0103% (0.09 1.0 0.02 0.02) = 0.010% HG12 ILE 68 - HG13 ILE 100 4.167% * 0.0097% (0.09 1.0 0.02 0.93) = 0.010% QG2 VAL 40 - HG13 ILE 100 4.167% * 0.0092% (0.08 1.0 0.02 0.02) = 0.009% QG2 VAL 87 - HG13 ILE 100 4.167% * 0.0092% (0.08 1.0 0.02 0.35) = 0.009% QG2 VAL 105 - HG13 ILE 100 4.167% * 0.0058% (0.05 1.0 0.02 0.02) = 0.006% QD1 LEU 17 - HG13 ILE 100 4.167% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% QG1 VAL 105 - HG13 ILE 100 4.167% * 0.0048% (0.04 1.0 0.02 0.02) = 0.005% QG1 VAL 80 - HG13 ILE 100 4.167% * 0.0044% (0.04 1.0 0.02 0.02) = 0.004% Peak 2499 (0.92, 0.92, 28.38 ppm): 1 diagonal assignment: * HG12 ILE 68 - HG12 ILE 68 (0.89) kept Peak 2500 (0.73, 0.92, 28.40 ppm): 9 chemical-shift based assignments, quality = 0.86, support = 4.04, residual support = 79.7: * O QD1 ILE 68 - HG12 ILE 68 11.111% * 85.9407% (0.88 10.0 4.55 92.61) = 85.941% kept QG2 VAL 65 - HG12 ILE 68 11.111% * 4.3965% (0.88 1.0 1.02 1.17) = 4.396% kept HG3 LYS+ 44 - HG12 ILE 68 11.111% * 4.1066% (0.76 1.0 1.10 0.17) = 4.107% kept HG3 LYS+ 66 - HG12 ILE 68 11.111% * 2.2904% (0.76 1.0 0.61 0.02) = 2.290% kept QG2 ILE 48 - HG12 ILE 68 11.111% * 2.0234% (0.58 1.0 0.72 0.02) = 2.023% kept QG2 ILE 101 - HG12 ILE 68 11.111% * 1.0787% (0.44 1.0 0.50 0.10) = 1.079% kept QG1 VAL 40 - HG12 ILE 68 11.111% * 0.0854% (0.87 1.0 0.02 0.02) = 0.085% HG LEU 74 - HG12 ILE 68 11.111% * 0.0592% (0.61 1.0 0.02 1.07) = 0.059% QG2 THR 96 - HG12 ILE 68 11.111% * 0.0192% (0.20 1.0 0.02 0.02) = 0.019% Peak 2502 (0.68, 1.68, 28.25 ppm): 18 chemical-shift based assignments, quality = 0.85, support = 5.13, residual support = 93.5: * O T HG12 ILE 19 - HG13 ILE 19 5.556% * 49.8617% (0.88 10.0 10.00 5.01 96.53) = 49.862% kept O T QD1 ILE 19 - HG13 ILE 19 5.556% * 46.9580% (0.83 10.0 10.00 5.55 96.53) = 46.958% kept QG2 VAL 94 - HG13 ILE 19 5.556% * 2.6729% (0.87 1.0 1.00 1.09 0.38) = 2.673% kept T HG12 ILE 19 - HD3 LYS+ 55 5.556% * 0.1160% (0.20 1.0 10.00 0.02 0.02) = 0.116% T QD1 ILE 19 - HD3 LYS+ 55 5.556% * 0.1092% (0.19 1.0 10.00 0.02 0.02) = 0.109% QG2 ILE 48 - HG13 ILE 19 5.556% * 0.0509% (0.90 1.0 1.00 0.02 0.02) = 0.051% QG2 ILE 68 - HG13 ILE 19 5.556% * 0.0491% (0.87 1.0 1.00 0.02 0.02) = 0.049% QG1 VAL 62 - HG13 ILE 19 5.556% * 0.0407% (0.72 1.0 1.00 0.02 0.12) = 0.041% QG2 ILE 101 - HG13 ILE 19 5.556% * 0.0385% (0.68 1.0 1.00 0.02 0.02) = 0.039% QG1 VAL 65 - HG13 ILE 19 5.556% * 0.0248% (0.44 1.0 1.00 0.02 0.02) = 0.025% QG2 THR 96 - HG13 ILE 19 5.556% * 0.0157% (0.28 1.0 1.00 0.02 5.70) = 0.016% QG2 ILE 48 - HD3 LYS+ 55 5.556% * 0.0118% (0.21 1.0 1.00 0.02 0.02) = 0.012% QG2 VAL 94 - HD3 LYS+ 55 5.556% * 0.0114% (0.20 1.0 1.00 0.02 0.02) = 0.011% QG2 ILE 68 - HD3 LYS+ 55 5.556% * 0.0114% (0.20 1.0 1.00 0.02 0.02) = 0.011% QG1 VAL 62 - HD3 LYS+ 55 5.556% * 0.0095% (0.17 1.0 1.00 0.02 0.02) = 0.009% QG2 ILE 101 - HD3 LYS+ 55 5.556% * 0.0090% (0.16 1.0 1.00 0.02 0.02) = 0.009% QG1 VAL 65 - HD3 LYS+ 55 5.556% * 0.0058% (0.10 1.0 1.00 0.02 0.02) = 0.006% QG2 THR 96 - HD3 LYS+ 55 5.556% * 0.0037% (0.06 1.0 1.00 0.02 0.02) = 0.004% Peak 2503 (0.69, 0.68, 28.19 ppm): 1 diagonal assignment: * HG12 ILE 19 - HG12 ILE 19 (0.84) kept Peak 2504 (0.29, 1.63, 28.15 ppm): 4 chemical-shift based assignments, quality = 0.944, support = 2.64, residual support = 53.7: * O T QD2 LEU 23 - HG LEU 23 25.000% * 44.3816% (0.99 10.0 10.00 4.92 120.20) = 44.382% kept O T QG1 VAL 122 - HB VAL 122 25.000% * 40.3059% (0.90 10.0 10.00 1.00 0.94) = 40.306% kept T QD2 LEU 23 - HB VAL 122 25.000% * 8.0947% (0.91 1.0 10.00 0.40 0.02) = 8.095% kept T QG1 VAL 122 - HG LEU 23 25.000% * 7.2179% (0.98 1.0 10.00 0.33 0.02) = 7.218% kept Peak 2505 (0.01, 0.68, 28.20 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 5.91, residual support = 96.5: * O T QG2 ILE 19 - HG12 ILE 19 100.000% *100.0000% (0.76 10.0 10.00 5.91 96.53) = 100.000% kept Peak 2506 (8.94, 3.92, 69.46 ppm): 5 chemical-shift based assignments, quality = 0.892, support = 3.09, residual support = 19.6: * O HN THR 96 - HB THR 96 20.000% * 92.2315% (0.93 10.0 3.18 20.95) = 92.232% kept HN MET 97 - HB THR 96 20.000% * 5.4689% (0.38 1.0 2.86 4.71) = 5.469% kept HN ARG+ 22 - HB THR 96 20.000% * 1.7022% (0.90 1.0 0.38 0.02) = 1.702% kept HN LEU 17 - HB THR 96 20.000% * 0.5045% (0.57 1.0 0.18 0.22) = 0.505% HN PHE 21 - HB THR 96 20.000% * 0.0928% (0.93 1.0 0.02 0.02) = 0.093% Peak 2507 (7.08, 4.39, 69.34 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2508 (4.83, 3.92, 69.48 ppm): 5 chemical-shift based assignments, quality = 0.292, support = 2.71, residual support = 20.7: * O HA THR 96 - HB THR 96 20.000% * 98.8418% (0.30 10.0 2.74 20.95) = 98.842% kept HA ASP- 115 - HB THR 96 20.000% * 0.7305% (0.13 1.0 0.33 0.02) = 0.730% HB THR 39 - HB THR 96 20.000% * 0.1875% (0.56 1.0 0.02 0.02) = 0.187% HA GLU- 18 - HB THR 96 20.000% * 0.1758% (0.53 1.0 0.02 0.02) = 0.176% HA LEU 23 - HB THR 96 20.000% * 0.0645% (0.19 1.0 0.02 0.02) = 0.065% Peak 2509 (4.48, 1.22, 28.01 ppm): 9 chemical-shift based assignments, quality = 0.873, support = 4.72, residual support = 66.4: * O HA ILE 100 - HG12 ILE 100 11.111% * 97.5032% (0.88 10.0 4.83 68.06) = 97.503% kept HA GLN 102 - HG12 ILE 100 11.111% * 2.0851% (0.88 1.0 0.43 0.14) = 2.085% kept HA MET 126 - HG12 ILE 100 11.111% * 0.1054% (0.95 1.0 0.02 0.02) = 0.105% HA LYS+ 32 - HG12 ILE 100 11.111% * 0.1019% (0.92 1.0 0.02 0.02) = 0.102% HA CYS 123 - HG12 ILE 100 11.111% * 0.0556% (0.50 1.0 0.02 0.02) = 0.056% HA SER 77 - HG12 ILE 100 11.111% * 0.0556% (0.50 1.0 0.02 0.02) = 0.056% HA GLU- 50 - HG12 ILE 100 11.111% * 0.0434% (0.39 1.0 0.02 1.00) = 0.043% HA MET 118 - HG12 ILE 100 11.111% * 0.0263% (0.24 1.0 0.02 0.02) = 0.026% HB THR 79 - HG12 ILE 100 11.111% * 0.0235% (0.21 1.0 0.02 0.02) = 0.024% Peak 2511 (3.92, 3.92, 69.47 ppm): 1 diagonal assignment: * HB THR 96 - HB THR 96 (0.90) kept Peak 2522 (1.65, 0.80, 27.97 ppm): 13 chemical-shift based assignments, quality = 0.702, support = 2.59, residual support = 7.83: HB3 LYS+ 66 - QD2 LEU 67 7.692% * 46.8662% (0.78 3.66 9.06) = 46.866% kept HG2 ARG+ 22 - QD2 LEU 67 7.692% * 21.2619% (0.69 1.89 0.70) = 21.262% kept HG3 ARG+ 84 - QD2 LEU 67 7.692% * 13.4345% (0.89 0.93 0.78) = 13.434% kept HB ILE 100 - QD2 LEU 67 7.692% * 7.6433% (0.75 0.62 8.63) = 7.643% kept HB ILE 68 - QD2 LEU 67 7.692% * 7.4168% (0.12 3.71 34.86) = 7.417% kept HG LEU 43 - QD2 LEU 67 7.692% * 2.3856% (0.12 1.19 3.85) = 2.386% kept HG LEU 23 - QD2 LEU 67 7.692% * 0.3059% (0.18 0.10 0.02) = 0.306% HB3 MET 97 - QD2 LEU 67 7.692% * 0.2142% (0.66 0.02 0.02) = 0.214% HB3 MET 126 - QD2 LEU 67 7.692% * 0.1909% (0.58 0.02 0.02) = 0.191% HB3 LYS+ 81 - QD2 LEU 67 7.692% * 0.1436% (0.44 0.02 0.02) = 0.144% HD3 LYS+ 55 - QD2 LEU 67 7.692% * 0.0517% (0.16 0.02 0.02) = 0.052% HG12 ILE 101 - QD2 LEU 67 7.692% * 0.0455% (0.14 0.02 0.02) = 0.046% HB VAL 122 - QD2 LEU 67 7.692% * 0.0399% (0.12 0.02 0.02) = 0.040% Peak 2523 (1.40, 1.22, 28.00 ppm): 14 chemical-shift based assignments, quality = 0.948, support = 3.4, residual support = 66.2: * O HG13 ILE 100 - HG12 ILE 100 7.143% * 97.3291% (0.95 10.0 3.48 68.06) = 97.329% kept QB ALA 93 - HG12 ILE 100 7.143% * 2.1505% (0.95 1.0 0.44 0.02) = 2.150% kept HG LEU 67 - HG12 ILE 100 7.143% * 0.0958% (0.94 1.0 0.02 8.63) = 0.096% HD3 LYS+ 20 - HG12 ILE 100 7.143% * 0.0917% (0.90 1.0 0.02 0.02) = 0.092% QB ALA 37 - HG12 ILE 100 7.143% * 0.0829% (0.81 1.0 0.02 0.02) = 0.083% HG13 ILE 68 - HG12 ILE 100 7.143% * 0.0522% (0.51 1.0 0.02 0.93) = 0.052% HD3 LYS+ 44 - HG12 ILE 100 7.143% * 0.0408% (0.40 1.0 0.02 0.02) = 0.041% QG2 THR 39 - HG12 ILE 100 7.143% * 0.0339% (0.33 1.0 0.02 0.02) = 0.034% QB ALA 91 - HG12 ILE 100 7.143% * 0.0306% (0.30 1.0 0.02 0.02) = 0.031% QG2 THR 38 - HG12 ILE 100 7.143% * 0.0248% (0.24 1.0 0.02 0.02) = 0.025% HG2 LYS+ 78 - HG12 ILE 100 7.143% * 0.0197% (0.19 1.0 0.02 0.02) = 0.020% HD3 LYS+ 113 - HG12 ILE 100 7.143% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% HG3 ARG+ 22 - HG12 ILE 100 7.143% * 0.0153% (0.15 1.0 0.02 0.13) = 0.015% HG3 LYS+ 55 - HG12 ILE 100 7.143% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% Peak 2524 (1.23, 1.40, 27.99 ppm): 6 chemical-shift based assignments, quality = 0.888, support = 3.39, residual support = 64.0: * O T HG12 ILE 100 - HG13 ILE 100 16.667% * 92.5274% (0.92 10.0 10.00 3.48 68.06) = 92.527% kept HB3 ARG+ 22 - HG13 ILE 100 16.667% * 4.1581% (0.74 1.0 1.00 1.11 0.13) = 4.158% kept HB2 LEU 67 - HG13 ILE 68 16.667% * 3.0021% (0.15 1.0 1.00 3.95 34.86) = 3.002% kept T HG12 ILE 100 - HG13 ILE 68 16.667% * 0.2332% (0.23 1.0 10.00 0.02 0.93) = 0.233% HB2 LEU 67 - HG13 ILE 100 16.667% * 0.0604% (0.60 1.0 1.00 0.02 8.63) = 0.060% HB3 ARG+ 22 - HG13 ILE 68 16.667% * 0.0188% (0.19 1.0 1.00 0.02 0.02) = 0.019% Peak 2525 (1.22, 1.22, 27.96 ppm): 1 diagonal assignment: * HG12 ILE 100 - HG12 ILE 100 (0.94) kept Peak 2526 (1.21, 0.80, 27.93 ppm): 3 chemical-shift based assignments, quality = 0.905, support = 4.33, residual support = 109.5: * O HB2 LEU 67 - QD2 LEU 67 33.333% * 95.2246% (0.91 10.0 1.00 4.51 114.96) = 95.225% kept HB3 ARG+ 22 - QD2 LEU 67 33.333% * 4.0061% (0.91 1.0 1.00 0.84 0.70) = 4.006% kept T HG12 ILE 100 - QD2 LEU 67 33.333% * 0.7693% (0.74 1.0 10.00 0.02 8.63) = 0.769% Peak 2527 (0.84, 1.40, 27.94 ppm): 20 chemical-shift based assignments, quality = 0.374, support = 3.04, residual support = 44.6: * O T QG2 ILE 100 - HG13 ILE 100 5.000% * 65.4254% (0.15 10.0 10.00 4.37 68.06) = 65.425% kept QG1 VAL 13 - HG13 ILE 100 5.000% * 13.2716% (0.92 1.0 1.00 0.66 0.14) = 13.272% kept QG2 VAL 13 - HG13 ILE 100 5.000% * 10.2333% (0.85 1.0 1.00 0.56 0.14) = 10.233% kept QD1 ILE 29 - HG13 ILE 100 5.000% * 6.8485% (0.92 1.0 1.00 0.34 0.02) = 6.849% kept T QD2 LEU 17 - HG13 ILE 68 5.000% * 1.3150% (0.07 1.0 10.00 0.09 0.02) = 1.315% kept QD1 ILE 29 - HG13 ILE 68 5.000% * 1.3086% (0.13 1.0 1.00 0.46 0.02) = 1.309% kept HG2 LYS+ 117 - HG13 ILE 100 5.000% * 0.4231% (0.97 1.0 1.00 0.02 0.02) = 0.423% QG1 VAL 94 - HG13 ILE 100 5.000% * 0.3079% (0.71 1.0 1.00 0.02 0.02) = 0.308% QD2 LEU 17 - HG13 ILE 100 5.000% * 0.2064% (0.48 1.0 1.00 0.02 0.02) = 0.206% QD2 LEU 90 - HG13 ILE 100 5.000% * 0.1591% (0.37 1.0 1.00 0.02 0.02) = 0.159% T QG2 ILE 100 - HG13 ILE 68 5.000% * 0.0937% (0.02 1.0 10.00 0.02 0.93) = 0.094% QD2 LEU 67 - HG13 ILE 100 5.000% * 0.0743% (0.17 1.0 1.00 0.02 8.63) = 0.074% QD1 LEU 90 - HG13 ILE 100 5.000% * 0.0743% (0.17 1.0 1.00 0.02 0.02) = 0.074% HG2 LYS+ 117 - HG13 ILE 68 5.000% * 0.0606% (0.14 1.0 1.00 0.02 0.02) = 0.061% QG1 VAL 13 - HG13 ILE 68 5.000% * 0.0574% (0.13 1.0 1.00 0.02 0.02) = 0.057% QG2 VAL 13 - HG13 ILE 68 5.000% * 0.0527% (0.12 1.0 1.00 0.02 0.02) = 0.053% QG1 VAL 94 - HG13 ILE 68 5.000% * 0.0441% (0.10 1.0 1.00 0.02 0.02) = 0.044% QD2 LEU 90 - HG13 ILE 68 5.000% * 0.0228% (0.05 1.0 1.00 0.02 0.02) = 0.023% QD2 LEU 67 - HG13 ILE 68 5.000% * 0.0106% (0.02 1.0 1.00 0.02 34.86) = 0.011% QD1 LEU 90 - HG13 ILE 68 5.000% * 0.0106% (0.02 1.0 1.00 0.02 0.02) = 0.011% Peak 2528 (0.83, 1.22, 27.96 ppm): 8 chemical-shift based assignments, quality = 0.653, support = 0.318, residual support = 1.32: QG2 VAL 13 - HG12 ILE 100 12.500% * 64.5585% (0.65 1.00 0.48 0.14) = 64.558% kept T QD2 LEU 67 - HG12 ILE 100 12.500% * 14.1243% (0.34 10.00 0.02 8.63) = 14.124% kept QD1 ILE 29 - HG12 ILE 100 12.500% * 4.1315% (1.00 1.00 0.02 0.02) = 4.132% kept QG1 VAL 13 - HG12 ILE 100 12.500% * 4.1315% (1.00 1.00 0.02 0.14) = 4.132% kept QG1 VAL 94 - HG12 ILE 100 12.500% * 3.8224% (0.92 1.00 0.02 0.02) = 3.822% kept HG2 LYS+ 117 - HG12 ILE 100 12.500% * 3.7135% (0.90 1.00 0.02 0.02) = 3.714% kept QD2 LEU 17 - HG12 ILE 100 12.500% * 3.0068% (0.73 1.00 0.02 0.02) = 3.007% kept QD2 LEU 90 - HG12 ILE 100 12.500% * 2.5115% (0.61 1.00 0.02 0.02) = 2.511% kept Peak 2529 (0.81, 0.81, 27.87 ppm): 1 diagonal assignment: * QD2 LEU 67 - QD2 LEU 67 (0.99) kept Peak 2530 (0.48, 0.81, 27.90 ppm): 2 chemical-shift based assignments, quality = 0.763, support = 2.65, residual support = 8.52: QD2 LEU 43 - QD2 LEU 67 50.000% * 64.7352% (0.98 2.31 3.85) = 64.735% kept * QD2 LEU 74 - QD2 LEU 67 50.000% * 35.2648% (0.37 3.29 17.09) = 35.265% kept Peak 2531 (-0.04, 0.81, 27.84 ppm): 1 chemical-shift based assignment, quality = 0.736, support = 2.45, residual support = 17.1: * QD1 LEU 74 - QD2 LEU 67 100.000% *100.0000% (0.74 2.45 17.09) = 100.000% kept Peak 2532 (8.47, 0.72, 27.60 ppm): 6 chemical-shift based assignments, quality = 0.722, support = 3.95, residual support = 101.4: * HN LEU 74 - HG LEU 74 16.667% * 63.7023% (0.61 5.73 158.96) = 63.702% kept HN GLU- 107 - HG LEU 74 16.667% * 18.4768% (1.00 1.01 0.72) = 18.477% kept HN GLY 92 - HG LEU 74 16.667% * 13.0457% (0.94 0.75 0.25) = 13.046% kept HN LYS+ 113 - HG LEU 74 16.667% * 4.4572% (0.65 0.38 0.02) = 4.457% kept HN GLU- 18 - HG LEU 74 16.667% * 0.1929% (0.53 0.02 0.02) = 0.193% HN GLU- 10 - HG LEU 74 16.667% * 0.1251% (0.34 0.02 0.02) = 0.125% Peak 2533 (4.47, 2.05, 27.61 ppm): 36 chemical-shift based assignments, quality = 0.93, support = 1.34, residual support = 1.04: HA GLN 102 - HG3 PRO 86 2.778% * 29.9194% (0.97 1.60 1.16) = 29.919% kept HA ILE 100 - HG3 PRO 86 2.778% * 29.9194% (0.97 1.60 1.16) = 29.919% kept HA MET 126 - HG3 PRO 86 2.778% * 19.3149% (0.98 1.02 0.68) = 19.315% kept HA LYS+ 32 - HG3 PRO 86 2.778% * 17.5393% (0.89 1.03 1.25) = 17.539% kept HA GLN 102 - HG2 PRO 112 2.778% * 1.5383% (0.15 0.55 0.02) = 1.538% kept HA GLU- 50 - HG3 PRO 86 2.778% * 0.2007% (0.52 0.02 0.02) = 0.201% HA SER 77 - HG3 PRO 86 2.778% * 0.1568% (0.41 0.02 0.02) = 0.157% HA CYS 123 - HG3 PRO 86 2.778% * 0.1568% (0.41 0.02 0.02) = 0.157% HA MET 118 - HG3 PRO 86 2.778% * 0.1301% (0.34 0.02 0.02) = 0.130% HA MET 126 - HG2 PRO 116 2.778% * 0.1238% (0.32 0.02 0.02) = 0.124% HA ILE 100 - HG2 PRO 116 2.778% * 0.1224% (0.32 0.02 0.02) = 0.122% HA GLN 102 - HG2 PRO 116 2.778% * 0.1224% (0.32 0.02 0.02) = 0.122% HA LYS+ 32 - HG2 PRO 116 2.778% * 0.1120% (0.29 0.02 0.02) = 0.112% HA GLU- 50 - HG2 PRO 116 2.778% * 0.0657% (0.17 0.02 0.02) = 0.066% HB THR 79 - HG3 PRO 86 2.778% * 0.0588% (0.15 0.02 0.02) = 0.059% HA MET 126 - HG2 PRO 112 2.778% * 0.0565% (0.15 0.02 0.02) = 0.056% HA ILE 100 - HG2 PRO 112 2.778% * 0.0559% (0.15 0.02 0.02) = 0.056% HA CYS 123 - HG2 PRO 116 2.778% * 0.0513% (0.13 0.02 0.02) = 0.051% HA SER 77 - HG2 PRO 116 2.778% * 0.0513% (0.13 0.02 0.02) = 0.051% HA LYS+ 32 - HG2 PRO 112 2.778% * 0.0511% (0.13 0.02 0.02) = 0.051% HA MET 118 - HG2 PRO 116 2.778% * 0.0426% (0.11 0.02 0.02) = 0.043% HA GLU- 50 - HG2 PRO 112 2.778% * 0.0300% (0.08 0.02 0.02) = 0.030% HA SER 77 - HG2 PRO 112 2.778% * 0.0234% (0.06 0.02 0.02) = 0.023% HA CYS 123 - HG2 PRO 112 2.778% * 0.0234% (0.06 0.02 0.02) = 0.023% HA MET 118 - HG2 PRO 112 2.778% * 0.0194% (0.05 0.02 0.02) = 0.019% HB THR 79 - HG2 PRO 116 2.778% * 0.0193% (0.05 0.02 0.02) = 0.019% HA MET 126 - HG3 PRO 112 2.778% * 0.0150% (0.04 0.02 0.02) = 0.015% HA ILE 100 - HG3 PRO 112 2.778% * 0.0149% (0.04 0.02 0.02) = 0.015% HA GLN 102 - HG3 PRO 112 2.778% * 0.0149% (0.04 0.02 0.02) = 0.015% HA LYS+ 32 - HG3 PRO 112 2.778% * 0.0136% (0.04 0.02 0.02) = 0.014% HB THR 79 - HG2 PRO 112 2.778% * 0.0088% (0.02 0.02 0.02) = 0.009% HA GLU- 50 - HG3 PRO 112 2.778% * 0.0080% (0.02 0.02 0.02) = 0.008% HA SER 77 - HG3 PRO 112 2.778% * 0.0062% (0.02 0.02 0.02) = 0.006% HA CYS 123 - HG3 PRO 112 2.778% * 0.0062% (0.02 0.02 0.02) = 0.006% HA MET 118 - HG3 PRO 112 2.778% * 0.0052% (0.01 0.02 0.02) = 0.005% HB THR 79 - HG3 PRO 112 2.778% * 0.0023% (0.01 0.02 0.02) = 0.002% Reference assignment not found: HA PRO 86 - HG3 PRO 86 Peak 2534 (4.29, 1.77, 27.51 ppm): 30 chemical-shift based assignments, quality = 0.657, support = 2.6, residual support = 60.2: O HA ARG+ 84 - HG2 ARG+ 84 3.333% * 76.0522% (0.69 10.0 3.06 76.79) = 76.052% kept HA PRO 52 - HG3 ARG+ 53 3.333% * 6.1154% (0.48 1.0 2.31 23.29) = 6.115% kept HA SER 85 - HG2 ARG+ 84 3.333% * 5.4226% (0.69 1.0 1.43 5.62) = 5.423% kept HA VAL 122 - HG2 ARG+ 84 3.333% * 2.9590% (0.87 1.0 0.61 1.53) = 2.959% kept HA LEU 90 - HG3 ARG+ 53 3.333% * 2.4487% (0.64 1.0 0.70 0.23) = 2.449% kept HA PRO 52 - HG2 ARG+ 84 3.333% * 2.2009% (0.69 1.0 0.58 0.02) = 2.201% kept HA VAL 122 - HG3 ARG+ 53 3.333% * 1.7577% (0.61 1.0 0.52 0.02) = 1.758% kept HB3 CYS 121 - HG2 ARG+ 84 3.333% * 0.9009% (0.95 1.0 0.17 0.02) = 0.901% HA CYS 121 - HG2 ARG+ 84 3.333% * 0.8541% (0.90 1.0 0.17 0.02) = 0.854% HA CYS 121 - HG3 ARG+ 53 3.333% * 0.2879% (0.62 1.0 0.08 0.02) = 0.288% HA THR 106 - HG2 ARG+ 84 3.333% * 0.1011% (0.91 1.0 0.02 0.02) = 0.101% HA LEU 90 - HG2 ARG+ 84 3.333% * 0.1011% (0.91 1.0 0.02 0.02) = 0.101% HA ASP- 36 - HG2 ARG+ 84 3.333% * 0.0800% (0.72 1.0 0.02 0.02) = 0.080% HA VAL 94 - HG2 ARG+ 84 3.333% * 0.0800% (0.72 1.0 0.02 0.02) = 0.080% HB3 CYS 121 - HG3 ARG+ 53 3.333% * 0.0726% (0.66 1.0 0.02 0.02) = 0.073% HA THR 106 - HG3 ARG+ 53 3.333% * 0.0702% (0.64 1.0 0.02 0.02) = 0.070% HA ASP- 36 - HG3 ARG+ 53 3.333% * 0.0556% (0.50 1.0 0.02 0.02) = 0.056% HA VAL 94 - HG3 ARG+ 53 3.333% * 0.0556% (0.50 1.0 0.02 0.02) = 0.056% HA SER 85 - HG3 ARG+ 53 3.333% * 0.0529% (0.48 1.0 0.02 0.02) = 0.053% HA ARG+ 84 - HG3 ARG+ 53 3.333% * 0.0529% (0.48 1.0 0.02 0.02) = 0.053% HA GLU- 56 - HG2 ARG+ 84 3.333% * 0.0510% (0.46 1.0 0.02 0.02) = 0.051% HA GLU- 64 - HG2 ARG+ 84 3.333% * 0.0357% (0.32 1.0 0.02 0.02) = 0.036% HA GLU- 56 - HG3 ARG+ 53 3.333% * 0.0354% (0.32 1.0 0.02 0.02) = 0.035% HA GLU- 75 - HG2 ARG+ 84 3.333% * 0.0323% (0.29 1.0 0.02 0.02) = 0.032% HA ILE 29 - HG2 ARG+ 84 3.333% * 0.0291% (0.26 1.0 0.02 0.02) = 0.029% HA GLU- 64 - HG3 ARG+ 53 3.333% * 0.0248% (0.22 1.0 0.02 0.02) = 0.025% HA GLU- 75 - HG3 ARG+ 53 3.333% * 0.0225% (0.20 1.0 0.02 0.02) = 0.022% HA ILE 29 - HG3 ARG+ 53 3.333% * 0.0202% (0.18 1.0 0.02 0.02) = 0.020% HA ALA 93 - HG2 ARG+ 84 3.333% * 0.0162% (0.15 1.0 0.02 0.02) = 0.016% HA ALA 93 - HG3 ARG+ 53 3.333% * 0.0112% (0.10 1.0 0.02 0.02) = 0.011% Peak 2535 (4.28, 1.66, 27.61 ppm): 54 chemical-shift based assignments, quality = 0.777, support = 3.56, residual support = 75.6: * O HA ARG+ 84 - HG3 ARG+ 84 1.852% * 67.8323% (0.92 10.0 3.48 76.79) = 67.832% kept O HA PRO 52 - HG2 PRO 52 1.852% * 19.2599% (0.26 10.0 5.49 119.95) = 19.260% kept HA SER 85 - HG3 ARG+ 84 1.852% * 5.2072% (0.92 1.0 1.54 5.62) = 5.207% kept HA VAL 122 - HG3 ARG+ 84 1.852% * 4.7870% (0.97 1.0 1.34 1.53) = 4.787% kept HB3 CYS 121 - HG3 ARG+ 84 1.852% * 1.0537% (0.84 1.0 0.34 0.02) = 1.054% kept HA CYS 121 - HG3 ARG+ 84 1.852% * 0.8821% (0.71 1.0 0.34 0.02) = 0.882% HA LEU 90 - HG3 ARG+ 84 1.852% * 0.0703% (0.95 1.0 0.02 0.02) = 0.070% HA VAL 94 - HG3 ARG+ 84 1.852% * 0.0692% (0.94 1.0 0.02 0.02) = 0.069% HA PRO 52 - HG3 ARG+ 84 1.852% * 0.0678% (0.92 1.0 0.02 0.02) = 0.068% HA GLU- 56 - HG3 ARG+ 84 1.852% * 0.0548% (0.74 1.0 0.02 0.02) = 0.055% HA THR 106 - HG3 ARG+ 84 1.852% * 0.0548% (0.74 1.0 0.02 0.02) = 0.055% HA GLU- 64 - HG3 ARG+ 84 1.852% * 0.0435% (0.59 1.0 0.02 0.02) = 0.043% HA GLU- 75 - HG3 ARG+ 84 1.852% * 0.0406% (0.55 1.0 0.02 0.02) = 0.041% HA ASP- 36 - HG3 ARG+ 84 1.852% * 0.0349% (0.47 1.0 0.02 0.02) = 0.035% HA VAL 122 - HG12 ILE 101 1.852% * 0.0204% (0.28 1.0 0.02 0.02) = 0.020% HA VAL 122 - HG2 PRO 52 1.852% * 0.0203% (0.28 1.0 0.02 1.73) = 0.020% HA LEU 90 - HG12 ILE 101 1.852% * 0.0200% (0.27 1.0 0.02 0.02) = 0.020% HA LEU 90 - HG2 PRO 52 1.852% * 0.0200% (0.27 1.0 0.02 2.38) = 0.020% HA GLU- 107 - HG3 ARG+ 84 1.852% * 0.0199% (0.27 1.0 0.02 0.02) = 0.020% HA ASN 119 - HG3 ARG+ 84 1.852% * 0.0199% (0.27 1.0 0.02 0.02) = 0.020% HA VAL 94 - HG12 ILE 101 1.852% * 0.0197% (0.27 1.0 0.02 0.02) = 0.020% HA VAL 94 - HG2 PRO 52 1.852% * 0.0196% (0.27 1.0 0.02 0.02) = 0.020% HA SER 85 - HG12 ILE 101 1.852% * 0.0193% (0.26 1.0 0.02 0.02) = 0.019% HA ARG+ 84 - HG12 ILE 101 1.852% * 0.0193% (0.26 1.0 0.02 0.02) = 0.019% HA PRO 52 - HG12 ILE 101 1.852% * 0.0193% (0.26 1.0 0.02 0.02) = 0.019% HA SER 85 - HG2 PRO 52 1.852% * 0.0193% (0.26 1.0 0.02 0.02) = 0.019% HA ARG+ 84 - HG2 PRO 52 1.852% * 0.0193% (0.26 1.0 0.02 0.02) = 0.019% HA ASN 76 - HG3 ARG+ 84 1.852% * 0.0179% (0.24 1.0 0.02 0.02) = 0.018% HB3 CYS 121 - HG12 ILE 101 1.852% * 0.0177% (0.24 1.0 0.02 0.02) = 0.018% HB3 CYS 121 - HG2 PRO 52 1.852% * 0.0177% (0.24 1.0 0.02 0.02) = 0.018% HA GLU- 56 - HG12 ILE 101 1.852% * 0.0156% (0.21 1.0 0.02 1.11) = 0.016% HA THR 106 - HG12 ILE 101 1.852% * 0.0156% (0.21 1.0 0.02 0.02) = 0.016% HA GLU- 56 - HG2 PRO 52 1.852% * 0.0156% (0.21 1.0 0.02 0.02) = 0.016% HA THR 106 - HG2 PRO 52 1.852% * 0.0156% (0.21 1.0 0.02 0.02) = 0.016% HA CYS 121 - HG12 ILE 101 1.852% * 0.0148% (0.20 1.0 0.02 0.02) = 0.015% HA CYS 121 - HG2 PRO 52 1.852% * 0.0148% (0.20 1.0 0.02 0.02) = 0.015% HA ALA 11 - HG3 ARG+ 84 1.852% * 0.0142% (0.19 1.0 0.02 0.02) = 0.014% HA GLU- 64 - HG12 ILE 101 1.852% * 0.0124% (0.17 1.0 0.02 0.02) = 0.012% HA GLU- 64 - HG2 PRO 52 1.852% * 0.0123% (0.17 1.0 0.02 0.02) = 0.012% HA GLU- 75 - HG12 ILE 101 1.852% * 0.0116% (0.16 1.0 0.02 1.34) = 0.012% HA GLU- 75 - HG2 PRO 52 1.852% * 0.0115% (0.16 1.0 0.02 0.02) = 0.012% HB3 SER 49 - HG3 ARG+ 84 1.852% * 0.0112% (0.15 1.0 0.02 0.02) = 0.011% HA ASP- 36 - HG12 ILE 101 1.852% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HA ASP- 36 - HG2 PRO 52 1.852% * 0.0099% (0.13 1.0 0.02 0.02) = 0.010% HA GLU- 107 - HG12 ILE 101 1.852% * 0.0057% (0.08 1.0 0.02 0.02) = 0.006% HA ASN 119 - HG12 ILE 101 1.852% * 0.0057% (0.08 1.0 0.02 0.02) = 0.006% HA GLU- 107 - HG2 PRO 52 1.852% * 0.0057% (0.08 1.0 0.02 0.02) = 0.006% HA ASN 119 - HG2 PRO 52 1.852% * 0.0057% (0.08 1.0 0.02 0.02) = 0.006% HA ASN 76 - HG12 ILE 101 1.852% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% HA ASN 76 - HG2 PRO 52 1.852% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% HA ALA 11 - HG12 ILE 101 1.852% * 0.0040% (0.05 1.0 0.02 0.02) = 0.004% HA ALA 11 - HG2 PRO 52 1.852% * 0.0040% (0.05 1.0 0.02 0.02) = 0.004% HB3 SER 49 - HG12 ILE 101 1.852% * 0.0032% (0.04 1.0 0.02 2.59) = 0.003% HB3 SER 49 - HG2 PRO 52 1.852% * 0.0032% (0.04 1.0 0.02 0.02) = 0.003% Peak 2536 (3.90, 2.14, 27.77 ppm): 12 chemical-shift based assignments, quality = 0.219, support = 0.648, residual support = 1.24: T HD3 PRO 35 - HG2 PRO 112 8.333% * 72.1795% (0.25 10.00 0.72 1.64) = 72.179% kept T HA GLU- 45 - HG2 PRO 112 8.333% * 20.1605% (0.08 10.00 0.61 0.28) = 20.161% kept T HD2 PRO 86 - HG2 PRO 112 8.333% * 2.7496% (0.34 10.00 0.02 0.02) = 2.750% kept T HD2 PRO 116 - HG2 PRO 112 8.333% * 2.3640% (0.29 10.00 0.02 0.02) = 2.364% kept HB2 SER 77 - HG2 PRO 112 8.333% * 1.7756% (0.50 1.00 0.09 0.02) = 1.776% kept HB2 SER 77 - HG2 PRO 104 8.333% * 0.2022% (0.25 1.00 0.02 0.02) = 0.202% HD2 PRO 86 - HG2 PRO 104 8.333% * 0.1370% (0.17 1.00 0.02 0.02) = 0.137% HB THR 96 - HG2 PRO 112 8.333% * 0.1211% (0.15 1.00 0.02 0.02) = 0.121% HD2 PRO 116 - HG2 PRO 104 8.333% * 0.1178% (0.15 1.00 0.02 0.02) = 0.118% HD3 PRO 35 - HG2 PRO 104 8.333% * 0.0995% (0.12 1.00 0.02 0.02) = 0.100% HB THR 96 - HG2 PRO 104 8.333% * 0.0604% (0.07 1.00 0.02 0.02) = 0.060% HA GLU- 45 - HG2 PRO 104 8.333% * 0.0328% (0.04 1.00 0.02 0.02) = 0.033% Peak 2537 (3.84, 2.02, 27.60 ppm): 40 chemical-shift based assignments, quality = 0.373, support = 3.39, residual support = 14.2: * O T HD3 PRO 116 - HG2 PRO 116 2.500% * 53.3880% (0.30 10.0 10.00 4.31 17.74) = 53.388% kept HA LYS+ 117 - HG2 PRO 116 2.500% * 18.6751% (0.97 1.0 1.00 2.20 3.61) = 18.675% kept O T HD3 PRO 86 - HG3 PRO 86 2.500% * 17.3404% (0.10 10.0 10.00 3.38 22.64) = 17.340% kept HB2 SER 85 - HG3 PRO 86 2.500% * 3.5040% (0.21 1.0 1.00 1.92 2.67) = 3.504% kept T HA GLU- 45 - HG3 PRO 86 2.500% * 1.9772% (0.10 1.0 10.00 0.23 0.02) = 1.977% kept T HA GLU- 45 - HG2 PRO 112 2.500% * 1.6701% (0.03 1.0 10.00 0.61 0.28) = 1.670% kept HB3 SER 88 - HG3 PRO 86 2.500% * 1.1807% (0.22 1.0 1.00 0.60 0.02) = 1.181% kept T HD3 PRO 86 - HG2 PRO 116 2.500% * 0.4313% (0.25 1.0 10.00 0.02 0.02) = 0.431% T HD3 PRO 116 - HG3 PRO 86 2.500% * 0.2146% (0.12 1.0 10.00 0.02 0.02) = 0.215% HB3 SER 77 - HG2 PRO 112 2.500% * 0.2005% (0.06 1.0 1.00 0.38 0.02) = 0.200% HB2 SER 85 - HG2 PRO 112 2.500% * 0.1475% (0.07 1.0 1.00 0.26 0.02) = 0.148% T HD3 PRO 116 - HG3 PRO 112 2.500% * 0.0996% (0.06 1.0 10.00 0.02 0.02) = 0.100% HB3 SER 88 - HG2 PRO 116 2.500% * 0.0979% (0.56 1.0 1.00 0.02 0.02) = 0.098% HB2 SER 85 - HG2 PRO 116 2.500% * 0.0910% (0.52 1.0 1.00 0.02 0.02) = 0.091% HA2 GLY 92 - HG2 PRO 116 2.500% * 0.0842% (0.48 1.0 1.00 0.02 0.02) = 0.084% HB3 SER 77 - HG2 PRO 116 2.500% * 0.0842% (0.48 1.0 1.00 0.02 0.02) = 0.084% HA2 GLY 114 - HG2 PRO 116 2.500% * 0.0842% (0.48 1.0 1.00 0.02 0.48) = 0.084% T HD3 PRO 86 - HG3 PRO 112 2.500% * 0.0804% (0.05 1.0 10.00 0.02 0.02) = 0.080% HA LYS+ 117 - HG3 PRO 86 2.500% * 0.0682% (0.39 1.0 1.00 0.02 0.02) = 0.068% T HD3 PRO 116 - HG2 PRO 112 2.500% * 0.0674% (0.04 1.0 10.00 0.02 0.02) = 0.067% HB3 SER 88 - HG2 PRO 112 2.500% * 0.0673% (0.07 1.0 1.00 0.11 0.02) = 0.067% T HD3 PRO 86 - HG2 PRO 112 2.500% * 0.0544% (0.03 1.0 10.00 0.02 0.02) = 0.054% HB3 SER 27 - HG2 PRO 116 2.500% * 0.0481% (0.27 1.0 1.00 0.02 0.02) = 0.048% HA GLU- 45 - HG2 PRO 116 2.500% * 0.0431% (0.25 1.0 1.00 0.02 0.02) = 0.043% HA2 GLY 92 - HG3 PRO 86 2.500% * 0.0338% (0.19 1.0 1.00 0.02 0.02) = 0.034% HA2 GLY 114 - HG3 PRO 86 2.500% * 0.0338% (0.19 1.0 1.00 0.02 0.02) = 0.034% HB3 SER 77 - HG3 PRO 86 2.500% * 0.0338% (0.19 1.0 1.00 0.02 0.02) = 0.034% HA LYS+ 117 - HG3 PRO 112 2.500% * 0.0316% (0.18 1.0 1.00 0.02 0.02) = 0.032% HA LYS+ 117 - HG2 PRO 112 2.500% * 0.0214% (0.12 1.0 1.00 0.02 0.02) = 0.021% HB3 SER 27 - HG3 PRO 86 2.500% * 0.0193% (0.11 1.0 1.00 0.02 0.02) = 0.019% HB3 SER 88 - HG3 PRO 112 2.500% * 0.0183% (0.10 1.0 1.00 0.02 0.02) = 0.018% HB2 SER 85 - HG3 PRO 112 2.500% * 0.0170% (0.10 1.0 1.00 0.02 0.02) = 0.017% HA2 GLY 92 - HG3 PRO 112 2.500% * 0.0157% (0.09 1.0 1.00 0.02 0.02) = 0.016% HA2 GLY 114 - HG3 PRO 112 2.500% * 0.0157% (0.09 1.0 1.00 0.02 0.02) = 0.016% HB3 SER 77 - HG3 PRO 112 2.500% * 0.0157% (0.09 1.0 1.00 0.02 0.02) = 0.016% HA2 GLY 92 - HG2 PRO 112 2.500% * 0.0106% (0.06 1.0 1.00 0.02 0.02) = 0.011% HA2 GLY 114 - HG2 PRO 112 2.500% * 0.0106% (0.06 1.0 1.00 0.02 0.02) = 0.011% HB3 SER 27 - HG3 PRO 112 2.500% * 0.0090% (0.05 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 45 - HG3 PRO 112 2.500% * 0.0080% (0.05 1.0 1.00 0.02 0.28) = 0.008% HB3 SER 27 - HG2 PRO 112 2.500% * 0.0061% (0.03 1.0 1.00 0.02 0.02) = 0.006% Peak 2538 (3.61, 1.99, 27.56 ppm): 5 chemical-shift based assignments, quality = 0.077, support = 3.21, residual support = 25.0: T HD2 PRO 112 - HG3 PRO 104 20.000% * 37.6037% (0.09 1.0 10.00 1.68 3.72) = 37.604% kept * O T HD2 PRO 112 - HG3 PRO 112 20.000% * 31.1878% (0.06 10.0 10.00 3.66 39.48) = 31.188% kept O T HD2 PRO 112 - HG2 PRO 112 20.000% * 28.6078% (0.06 10.0 10.00 5.00 39.48) = 28.608% kept T HD2 PRO 112 - HG2 PRO 116 20.000% * 1.3977% (0.28 1.0 10.00 0.02 0.02) = 1.398% kept T HD2 PRO 112 - HG3 PRO 116 20.000% * 1.2030% (0.24 1.0 10.00 0.02 0.02) = 1.203% kept Peak 2539 (3.61, 1.93, 27.60 ppm): 6 chemical-shift based assignments, quality = 0.0488, support = 4.51, residual support = 35.7: * O T HD2 PRO 112 - HG2 PRO 112 16.667% * 90.2227% (0.04 10.0 10.00 5.00 39.48) = 90.223% kept T HD2 PRO 112 - HG3 PRO 116 16.667% * 4.3416% (0.20 1.0 10.00 0.02 0.02) = 4.342% kept T HD2 PRO 104 - HG3 PRO 116 16.667% * 2.1322% (0.10 1.0 10.00 0.02 0.02) = 2.132% kept T HD2 PRO 104 - HG2 PRO 112 16.667% * 1.8744% (0.02 1.0 10.00 0.08 3.72) = 1.874% kept T HD2 PRO 31 - HG3 PRO 116 16.667% * 1.1832% (0.05 1.0 10.00 0.02 0.02) = 1.183% kept T HD2 PRO 31 - HG2 PRO 112 16.667% * 0.2459% (0.01 1.0 10.00 0.02 0.02) = 0.246% Peak 2542 (3.18, 1.66, 27.58 ppm): 6 chemical-shift based assignments, quality = 0.936, support = 3.9, residual support = 76.7: * O T HD3 ARG+ 84 - HG3 ARG+ 84 16.667% * 99.8332% (0.94 10.0 10.00 3.91 76.79) = 99.833% kept HB3 PHE 34 - HG3 ARG+ 84 16.667% * 0.0725% (0.68 1.0 1.00 0.02 5.06) = 0.072% HD3 ARG+ 84 - HG12 ILE 101 16.667% * 0.0274% (0.26 1.0 1.00 0.02 0.02) = 0.027% HD3 ARG+ 84 - HG2 PRO 52 16.667% * 0.0272% (0.26 1.0 1.00 0.02 0.02) = 0.027% HB3 PHE 34 - HG12 ILE 101 16.667% * 0.0199% (0.19 1.0 1.00 0.02 0.49) = 0.020% HB3 PHE 34 - HG2 PRO 52 16.667% * 0.0198% (0.19 1.0 1.00 0.02 0.02) = 0.020% Peak 2546 (2.58, 2.14, 27.70 ppm): 1 diagonal assignment: HG2 PRO 112 - HG2 PRO 112 (0.08) kept Peak 2547 (2.58, 2.08, 27.66 ppm): 1 diagonal assignment: * HG2 PRO 112 - HG2 PRO 112 (0.05) kept Peak 2551 (2.30, 2.02, 27.54 ppm): 14 chemical-shift based assignments, quality = 0.791, support = 3.63, residual support = 18.1: * O HB3 PRO 116 - HG2 PRO 116 7.143% * 83.9521% (0.92 10.0 1.00 3.66 17.74) = 83.952% kept O HB3 PRO 86 - HG3 PRO 86 7.143% * 14.2265% (0.16 10.0 1.00 3.97 22.64) = 14.227% kept T HG2 GLU- 64 - HG2 PRO 116 7.143% * 0.8321% (0.91 1.0 10.00 0.02 0.02) = 0.832% T HG2 GLU- 64 - HG3 PRO 86 7.143% * 0.3757% (0.41 1.0 10.00 0.02 0.02) = 0.376% T HG2 PRO 112 - HG3 PRO 86 7.143% * 0.3496% (0.38 1.0 10.00 0.02 0.02) = 0.350% HG2 PRO 112 - HG2 PRO 116 7.143% * 0.0774% (0.85 1.0 1.00 0.02 0.02) = 0.077% HB2 LYS+ 44 - HG2 PRO 116 7.143% * 0.0475% (0.52 1.0 1.00 0.02 0.02) = 0.048% HB3 PRO 116 - HG3 PRO 86 7.143% * 0.0379% (0.41 1.0 1.00 0.02 0.02) = 0.038% HB3 PRO 86 - HG2 PRO 116 7.143% * 0.0315% (0.34 1.0 1.00 0.02 0.02) = 0.032% HB2 LYS+ 44 - HG3 PRO 86 7.143% * 0.0215% (0.23 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 112 - HG2 PRO 116 7.143% * 0.0184% (0.20 1.0 1.00 0.02 0.02) = 0.018% HB2 TYR 83 - HG2 PRO 116 7.143% * 0.0147% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 112 - HG3 PRO 86 7.143% * 0.0083% (0.09 1.0 1.00 0.02 0.02) = 0.008% HB2 TYR 83 - HG3 PRO 86 7.143% * 0.0066% (0.07 1.0 1.00 0.02 0.02) = 0.007% Peak 2557 (2.04, 1.63, 27.60 ppm): 30 chemical-shift based assignments, quality = 0.841, support = 0.702, residual support = 0.712: T HB3 LYS+ 110 - HG12 ILE 101 3.333% * 77.5811% (0.93 10.00 0.73 0.77) = 77.581% kept HB3 GLU- 75 - HG12 ILE 101 3.333% * 7.6602% (0.59 1.00 1.13 1.34) = 7.660% kept HG3 PRO 86 - HG12 ILE 101 3.333% * 5.4757% (0.85 1.00 0.56 0.11) = 5.476% kept HG3 GLU- 64 - HG12 ILE 101 3.333% * 2.2616% (0.72 1.00 0.27 0.02) = 2.262% kept HB3 GLU- 64 - HG12 ILE 101 3.333% * 1.9057% (0.57 1.00 0.29 0.02) = 1.906% kept HB VAL 62 - HG12 ILE 101 3.333% * 1.0826% (0.15 1.00 0.64 0.77) = 1.083% kept HG2 PRO 112 - HG3 ARG+ 84 3.333% * 1.0021% (0.28 1.00 0.31 0.02) = 1.002% kept T HB3 LYS+ 110 - HG3 ARG+ 84 3.333% * 0.9558% (0.41 10.00 0.02 0.02) = 0.956% HG2 PRO 112 - HG12 ILE 101 3.333% * 0.6426% (0.62 1.00 0.09 0.02) = 0.643% HB2 GLU- 45 - HG12 ILE 101 3.333% * 0.1747% (0.76 1.00 0.02 0.02) = 0.175% HB3 GLU- 54 - HG12 ILE 101 3.333% * 0.1584% (0.69 1.00 0.02 0.02) = 0.158% HB3 GLU- 10 - HG12 ILE 101 3.333% * 0.1323% (0.57 1.00 0.02 0.02) = 0.132% HB3 PRO 31 - HG12 ILE 101 3.333% * 0.1148% (0.50 1.00 0.02 0.35) = 0.115% HG3 PRO 86 - HG3 ARG+ 84 3.333% * 0.0874% (0.38 1.00 0.02 0.02) = 0.087% HB2 GLU- 45 - HG3 ARG+ 84 3.333% * 0.0781% (0.34 1.00 0.02 0.02) = 0.078% HG3 GLU- 64 - HG3 ARG+ 84 3.333% * 0.0745% (0.32 1.00 0.02 0.02) = 0.075% HB3 GLU- 107 - HG12 ILE 101 3.333% * 0.0744% (0.32 1.00 0.02 0.02) = 0.074% HB3 GLU- 54 - HG3 ARG+ 84 3.333% * 0.0708% (0.31 1.00 0.02 0.02) = 0.071% HG2 PRO 116 - HG12 ILE 101 3.333% * 0.0673% (0.29 1.00 0.02 0.02) = 0.067% HB3 GLU- 75 - HG3 ARG+ 84 3.333% * 0.0607% (0.26 1.00 0.02 0.02) = 0.061% HB3 GLU- 10 - HG3 ARG+ 84 3.333% * 0.0591% (0.26 1.00 0.02 0.02) = 0.059% HB3 GLU- 64 - HG3 ARG+ 84 3.333% * 0.0591% (0.26 1.00 0.02 0.02) = 0.059% HB3 PRO 31 - HG3 ARG+ 84 3.333% * 0.0513% (0.22 1.00 0.02 0.02) = 0.051% HB2 GLU- 18 - HG12 ILE 101 3.333% * 0.0337% (0.15 1.00 0.02 0.52) = 0.034% HB3 GLU- 107 - HG3 ARG+ 84 3.333% * 0.0333% (0.14 1.00 0.02 0.02) = 0.033% HG2 PRO 116 - HG3 ARG+ 84 3.333% * 0.0301% (0.13 1.00 0.02 0.02) = 0.030% HG3 PRO 112 - HG12 ILE 101 3.333% * 0.0295% (0.13 1.00 0.02 0.02) = 0.030% HB2 GLU- 18 - HG3 ARG+ 84 3.333% * 0.0150% (0.07 1.00 0.02 3.02) = 0.015% HB VAL 62 - HG3 ARG+ 84 3.333% * 0.0150% (0.07 1.00 0.02 0.02) = 0.015% HG3 PRO 112 - HG3 ARG+ 84 3.333% * 0.0132% (0.06 1.00 0.02 0.02) = 0.013% Peak 2568 (2.01, 2.01, 27.51 ppm): 1 diagonal assignment: * HG2 PRO 116 - HG2 PRO 116 (0.82) kept Peak 2569 (1.85, 1.46, 27.62 ppm): 24 chemical-shift based assignments, quality = 0.183, support = 3.3, residual support = 46.8: O T HD3 PRO 52 - HG3 PRO 52 4.167% * 35.1485% (0.20 10.0 10.00 4.54 119.95) = 35.149% kept O HD2 PRO 59 - HG2 PRO 59 4.167% * 29.6983% (0.17 10.0 1.00 2.94 7.13) = 29.698% kept O HB2 PRO 59 - HG2 PRO 59 4.167% * 27.9688% (0.16 10.0 1.00 2.65 7.13) = 27.969% kept HB3 LYS+ 60 - HG2 PRO 59 4.167% * 4.3233% (0.23 1.0 1.00 2.07 12.86) = 4.323% kept HB2 LYS+ 66 - HG3 PRO 52 4.167% * 1.2309% (0.93 1.0 1.00 0.15 0.12) = 1.231% kept HG2 PRO 112 - HG3 PRO 52 4.167% * 0.3728% (0.17 1.0 1.00 0.25 0.02) = 0.373% HB3 LYS+ 60 - HG3 PRO 52 4.167% * 0.1714% (0.95 1.0 1.00 0.02 0.02) = 0.171% HB3 LYS+ 72 - HG3 PRO 52 4.167% * 0.1680% (0.93 1.0 1.00 0.02 0.02) = 0.168% HB2 PRO 104 - HG3 PRO 52 4.167% * 0.1640% (0.91 1.0 1.00 0.02 0.02) = 0.164% HB VAL 94 - HG3 PRO 52 4.167% * 0.1290% (0.72 1.0 1.00 0.02 0.02) = 0.129% HD2 PRO 59 - HG3 PRO 52 4.167% * 0.1220% (0.68 1.0 1.00 0.02 0.02) = 0.122% HB2 PRO 59 - HG3 PRO 52 4.167% * 0.1149% (0.64 1.0 1.00 0.02 0.02) = 0.115% T HD3 PRO 52 - HG2 PRO 59 4.167% * 0.0856% (0.05 1.0 10.00 0.02 0.02) = 0.086% HB2 LYS+ 66 - HG2 PRO 59 4.167% * 0.0409% (0.23 1.0 1.00 0.02 0.28) = 0.041% HB3 LYS+ 72 - HG2 PRO 59 4.167% * 0.0409% (0.23 1.0 1.00 0.02 1.46) = 0.041% HB2 PRO 104 - HG2 PRO 59 4.167% * 0.0399% (0.22 1.0 1.00 0.02 0.02) = 0.040% HB3 ARG+ 84 - HG3 PRO 52 4.167% * 0.0395% (0.22 1.0 1.00 0.02 0.02) = 0.040% HD3 LYS+ 117 - HG3 PRO 52 4.167% * 0.0395% (0.22 1.0 1.00 0.02 0.02) = 0.040% HG3 LYS+ 108 - HG3 PRO 52 4.167% * 0.0351% (0.20 1.0 1.00 0.02 0.02) = 0.035% HB VAL 94 - HG2 PRO 59 4.167% * 0.0314% (0.17 1.0 1.00 0.02 0.02) = 0.031% HB3 ARG+ 84 - HG2 PRO 59 4.167% * 0.0096% (0.05 1.0 1.00 0.02 0.02) = 0.010% HD3 LYS+ 117 - HG2 PRO 59 4.167% * 0.0096% (0.05 1.0 1.00 0.02 0.02) = 0.010% HG3 LYS+ 108 - HG2 PRO 59 4.167% * 0.0086% (0.05 1.0 1.00 0.02 0.17) = 0.009% HG2 PRO 112 - HG2 PRO 59 4.167% * 0.0073% (0.04 1.0 1.00 0.02 0.02) = 0.007% Peak 2570 (1.73, 2.03, 27.51 ppm): 12 chemical-shift based assignments, quality = 0.442, support = 1.16, residual support = 1.93: HB2 LYS+ 117 - HG2 PRO 116 8.333% * 49.2202% (0.41 1.70 3.61) = 49.220% kept HB ILE 48 - HG3 PRO 86 8.333% * 30.9392% (0.51 0.86 0.49) = 30.939% kept HB ILE 48 - HG2 PRO 116 8.333% * 14.7720% (0.54 0.39 0.02) = 14.772% kept HB2 LEU 17 - HG3 PRO 86 8.333% * 1.3962% (0.22 0.09 0.02) = 1.396% kept HB3 LEU 23 - HG2 PRO 116 8.333% * 0.6162% (0.44 0.02 0.02) = 0.616% HB2 GLN 16 - HG2 PRO 116 8.333% * 0.6162% (0.44 0.02 0.02) = 0.616% HB2 GLN 16 - HG3 PRO 86 8.333% * 0.5799% (0.41 0.02 0.02) = 0.580% HB3 LEU 23 - HG3 PRO 86 8.333% * 0.5799% (0.41 0.02 0.02) = 0.580% HB2 LYS+ 117 - HG3 PRO 86 8.333% * 0.5437% (0.39 0.02 0.02) = 0.544% HB2 LEU 17 - HG2 PRO 116 8.333% * 0.3249% (0.23 0.02 0.02) = 0.325% HD3 PRO 59 - HG2 PRO 116 8.333% * 0.2121% (0.15 0.02 0.02) = 0.212% HD3 PRO 59 - HG3 PRO 86 8.333% * 0.1996% (0.14 0.02 0.02) = 0.200% Peak 2571 (1.67, 1.46, 27.63 ppm): 20 chemical-shift based assignments, quality = 0.4, support = 4.52, residual support = 100.1: O T HG2 PRO 52 - HG3 PRO 52 5.000% * 83.4549% (0.35 10.0 10.00 5.39 119.95) = 83.455% kept T HG3 ARG+ 84 - HG3 PRO 52 5.000% * 8.1659% (0.72 1.0 10.00 0.10 0.02) = 8.166% kept HB3 LYS+ 66 - HG3 PRO 52 5.000% * 2.9342% (0.87 1.0 1.00 0.29 0.12) = 2.934% kept T HB3 MET 126 - HG3 PRO 52 5.000% * 2.2236% (0.94 1.0 10.00 0.02 0.02) = 2.224% kept T HG2 PRO 52 - HG2 PRO 59 5.000% * 0.9222% (0.09 1.0 10.00 0.08 0.02) = 0.922% T HB3 MET 126 - HG2 PRO 59 5.000% * 0.5843% (0.25 1.0 10.00 0.02 0.02) = 0.584% T HG3 ARG+ 84 - HG2 PRO 59 5.000% * 0.4466% (0.19 1.0 10.00 0.02 0.02) = 0.447% HB3 MET 97 - HG3 PRO 52 5.000% * 0.2204% (0.93 1.0 1.00 0.02 0.02) = 0.220% HB3 LYS+ 81 - HG3 PRO 52 5.000% * 0.2146% (0.91 1.0 1.00 0.02 0.02) = 0.215% HB ILE 100 - HG3 PRO 52 5.000% * 0.2103% (0.89 1.0 1.00 0.02 0.02) = 0.210% HD3 LYS+ 55 - HG3 PRO 52 5.000% * 0.1438% (0.61 1.0 1.00 0.02 2.54) = 0.144% HG13 ILE 19 - HG3 PRO 52 5.000% * 0.1170% (0.49 1.0 1.00 0.02 0.02) = 0.117% HB3 MET 97 - HG2 PRO 59 5.000% * 0.0579% (0.24 1.0 1.00 0.02 0.02) = 0.058% HB3 LYS+ 81 - HG2 PRO 59 5.000% * 0.0564% (0.24 1.0 1.00 0.02 0.02) = 0.056% HG2 ARG+ 22 - HG3 PRO 52 5.000% * 0.0554% (0.23 1.0 1.00 0.02 0.02) = 0.055% HB ILE 100 - HG2 PRO 59 5.000% * 0.0553% (0.23 1.0 1.00 0.02 0.02) = 0.055% HB3 LYS+ 66 - HG2 PRO 59 5.000% * 0.0539% (0.23 1.0 1.00 0.02 0.28) = 0.054% HD3 LYS+ 55 - HG2 PRO 59 5.000% * 0.0378% (0.16 1.0 1.00 0.02 0.02) = 0.038% HG13 ILE 19 - HG2 PRO 59 5.000% * 0.0307% (0.13 1.0 1.00 0.02 0.02) = 0.031% HG2 ARG+ 22 - HG2 PRO 59 5.000% * 0.0146% (0.06 1.0 1.00 0.02 0.02) = 0.015% Peak 2572 (1.63, 1.28, 27.62 ppm): 10 chemical-shift based assignments, quality = 0.979, support = 3.91, residual support = 125.5: * O HG12 ILE 101 - HG13 ILE 101 10.000% * 97.6668% (1.00 10.0 4.00 128.54) = 97.667% kept HB3 PRO 52 - HG13 ILE 101 10.000% * 1.1261% (0.37 1.0 0.61 0.02) = 1.126% kept HG2 LYS+ 110 - HG13 ILE 101 10.000% * 0.6613% (0.53 1.0 0.26 0.77) = 0.661% HB ILE 68 - HG13 ILE 101 10.000% * 0.0974% (1.00 1.0 0.02 0.10) = 0.097% HB VAL 122 - HG13 ILE 101 10.000% * 0.0974% (1.00 1.0 0.02 0.02) = 0.097% HG LEU 43 - HG13 ILE 101 10.000% * 0.0974% (1.00 1.0 0.02 0.02) = 0.097% HG LEU 23 - HG13 ILE 101 10.000% * 0.0968% (0.99 1.0 0.02 0.50) = 0.097% HG3 LYS+ 78 - HG13 ILE 101 10.000% * 0.0847% (0.87 1.0 0.02 0.02) = 0.085% HG2 ARG+ 22 - HG13 ILE 101 10.000% * 0.0475% (0.49 1.0 0.02 3.44) = 0.048% HD3 LYS+ 32 - HG13 ILE 101 10.000% * 0.0244% (0.25 1.0 0.02 1.04) = 0.024% Peak 2573 (1.61, 0.91, 27.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2574 (1.50, 2.03, 27.52 ppm): 10 chemical-shift based assignments, quality = 0.607, support = 0.332, residual support = 0.0194: HG3 LYS+ 72 - HG2 PRO 116 10.000% * 32.1567% (0.63 0.37 0.02) = 32.157% kept HB2 LYS+ 72 - HG3 PRO 86 10.000% * 30.4322% (0.63 0.35 0.02) = 30.432% kept HG3 LYS+ 72 - HG3 PRO 86 10.000% * 29.0931% (0.60 0.36 0.02) = 29.093% kept HD3 LYS+ 108 - HG2 PRO 116 10.000% * 1.8677% (0.69 0.02 0.02) = 1.868% kept HB2 LYS+ 72 - HG2 PRO 116 10.000% * 1.8307% (0.67 0.02 0.02) = 1.831% kept HD3 LYS+ 108 - HG3 PRO 86 10.000% * 1.7638% (0.65 0.02 0.02) = 1.764% kept QB ALA 70 - HG2 PRO 116 10.000% * 0.7678% (0.28 0.02 0.02) = 0.768% QB ALA 70 - HG3 PRO 86 10.000% * 0.7251% (0.27 0.02 0.02) = 0.725% HB3 LYS+ 44 - HG2 PRO 116 10.000% * 0.7010% (0.26 0.02 0.02) = 0.701% HB3 LYS+ 44 - HG3 PRO 86 10.000% * 0.6620% (0.24 0.02 0.02) = 0.662% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2575 (1.46, 1.68, 27.63 ppm): 18 chemical-shift based assignments, quality = 0.718, support = 5.07, residual support = 112.6: O T HG3 PRO 52 - HG2 PRO 52 5.556% * 93.8459% (0.76 10.0 10.00 5.39 119.95) = 93.846% kept HB3 LEU 67 - HG3 ARG+ 84 5.556% * 1.5384% (0.58 1.0 1.00 0.43 0.78) = 1.538% kept T HG2 PRO 59 - HG2 PRO 52 5.556% * 0.8721% (0.70 1.0 10.00 0.02 0.02) = 0.872% T HG3 LYS+ 60 - HG2 PRO 52 5.556% * 0.8721% (0.70 1.0 10.00 0.02 0.02) = 0.872% T HG3 PRO 52 - HG3 ARG+ 84 5.556% * 0.7509% (0.60 1.0 10.00 0.02 0.02) = 0.751% T HG2 PRO 59 - HG3 ARG+ 84 5.556% * 0.6978% (0.56 1.0 10.00 0.02 0.02) = 0.698% T HG3 LYS+ 60 - HG3 ARG+ 84 5.556% * 0.6978% (0.56 1.0 10.00 0.02 0.02) = 0.698% T HG3 LYS+ 113 - HG2 PRO 52 5.556% * 0.1500% (0.12 1.0 10.00 0.02 0.02) = 0.150% T HG3 LYS+ 113 - HG3 ARG+ 84 5.556% * 0.1201% (0.10 1.0 10.00 0.02 0.02) = 0.120% HG13 ILE 48 - HG2 PRO 52 5.556% * 0.0964% (0.78 1.0 1.00 0.02 0.02) = 0.096% HB3 LEU 67 - HG2 PRO 52 5.556% * 0.0898% (0.72 1.0 1.00 0.02 0.14) = 0.090% HG13 ILE 48 - HG3 ARG+ 84 5.556% * 0.0771% (0.62 1.0 1.00 0.02 0.02) = 0.077% HB3 LYS+ 44 - HG2 PRO 52 5.556% * 0.0400% (0.32 1.0 1.00 0.02 0.02) = 0.040% QB ALA 70 - HG2 PRO 52 5.556% * 0.0365% (0.29 1.0 1.00 0.02 0.02) = 0.036% HB3 LYS+ 44 - HG3 ARG+ 84 5.556% * 0.0320% (0.26 1.0 1.00 0.02 0.02) = 0.032% HG LEU 90 - HG2 PRO 52 5.556% * 0.0300% (0.24 1.0 1.00 0.02 2.38) = 0.030% QB ALA 70 - HG3 ARG+ 84 5.556% * 0.0292% (0.24 1.0 1.00 0.02 0.02) = 0.029% HG LEU 90 - HG3 ARG+ 84 5.556% * 0.0240% (0.19 1.0 1.00 0.02 0.02) = 0.024% Peak 2578 (1.17, 1.45, 27.52 ppm): 15 chemical-shift based assignments, quality = 0.46, support = 0.985, residual support = 6.58: O T HG3 PRO 59 - HG2 PRO 59 6.667% * 91.2836% (0.47 10.0 10.00 1.00 7.13) = 91.284% kept HB2 LEU 74 - HG2 PRO 59 6.667% * 4.6025% (0.36 1.0 1.00 1.31 1.53) = 4.602% kept HB2 LEU 74 - HG3 PRO 52 6.667% * 2.1229% (0.42 1.0 1.00 0.52 0.14) = 2.123% kept T HG3 PRO 59 - HG3 PRO 52 6.667% * 1.0565% (0.54 1.0 10.00 0.02 0.02) = 1.057% kept T HG3 PRO 59 - HG LEU 90 6.667% * 0.3316% (0.17 1.0 10.00 0.02 0.02) = 0.332% HB2 LEU 43 - HG3 PRO 52 6.667% * 0.1114% (0.57 1.0 1.00 0.02 0.02) = 0.111% QG2 THR 106 - HG3 PRO 52 6.667% * 0.1078% (0.55 1.0 1.00 0.02 0.02) = 0.108% HB2 LEU 43 - HG2 PRO 59 6.667% * 0.0963% (0.50 1.0 1.00 0.02 0.02) = 0.096% QG2 THR 106 - HG2 PRO 59 6.667% * 0.0931% (0.48 1.0 1.00 0.02 0.02) = 0.093% QB ALA 33 - HG3 PRO 52 6.667% * 0.0459% (0.24 1.0 1.00 0.02 0.02) = 0.046% QB ALA 33 - HG2 PRO 59 6.667% * 0.0397% (0.20 1.0 1.00 0.02 0.02) = 0.040% HB2 LEU 43 - HG LEU 90 6.667% * 0.0350% (0.18 1.0 1.00 0.02 0.02) = 0.035% QG2 THR 106 - HG LEU 90 6.667% * 0.0338% (0.17 1.0 1.00 0.02 0.02) = 0.034% HB2 LEU 74 - HG LEU 90 6.667% * 0.0255% (0.13 1.0 1.00 0.02 0.11) = 0.025% QB ALA 33 - HG LEU 90 6.667% * 0.0144% (0.07 1.0 1.00 0.02 0.02) = 0.014% Peak 2579 (0.92, 2.03, 27.57 ppm): 56 chemical-shift based assignments, quality = 0.319, support = 1.4, residual support = 6.45: HG3 LYS+ 117 - HG2 PRO 116 1.786% * 42.3203% (0.49 1.73 3.61) = 42.320% kept QG2 VAL 87 - HG3 PRO 86 1.786% * 24.1533% (0.20 2.46 20.31) = 24.153% kept HG3 LYS+ 117 - HG3 PRO 86 1.786% * 6.1726% (0.33 0.38 0.02) = 6.173% kept QG1 VAL 47 - HG3 PRO 86 1.786% * 5.2205% (0.24 0.44 0.02) = 5.221% kept QG2 VAL 73 - HG2 PRO 116 1.786% * 2.2473% (0.19 0.23 0.02) = 2.247% kept HG3 LYS+ 110 - HG3 PRO 86 1.786% * 2.1472% (0.56 0.08 0.02) = 2.147% kept QD1 LEU 67 - HG2 PRO 116 1.786% * 1.8119% (0.42 0.09 0.02) = 1.812% kept QG1 VAL 47 - HG2 PRO 116 1.786% * 1.6027% (0.36 0.09 0.02) = 1.603% kept QG2 VAL 73 - HG3 PRO 86 1.786% * 1.4357% (0.13 0.22 0.02) = 1.436% kept QG2 ILE 29 - HG2 PRO 112 1.786% * 1.1852% (0.02 1.26 0.85) = 1.185% kept QG2 VAL 80 - HG2 PRO 116 1.786% * 0.8621% (0.86 0.02 0.02) = 0.862% HG3 LYS+ 110 - HG2 PRO 116 1.786% * 0.8450% (0.85 0.02 0.02) = 0.845% HG12 ILE 68 - HG2 PRO 116 1.786% * 0.8155% (0.82 0.02 0.02) = 0.816% QG2 VAL 62 - HG2 PRO 112 1.786% * 0.7140% (0.03 0.49 0.10) = 0.714% QG2 VAL 73 - HG2 PRO 112 1.786% * 0.6848% (0.02 0.65 0.41) = 0.685% QG2 VAL 105 - HG2 PRO 116 1.786% * 0.6260% (0.63 0.02 0.02) = 0.626% QD1 LEU 17 - HG2 PRO 116 1.786% * 0.5922% (0.59 0.02 0.02) = 0.592% QG2 VAL 80 - HG3 PRO 86 1.786% * 0.5749% (0.58 0.02 0.02) = 0.575% QG1 VAL 105 - HG2 PRO 116 1.786% * 0.5577% (0.56 0.02 0.02) = 0.558% HG12 ILE 68 - HG3 PRO 86 1.786% * 0.5438% (0.55 0.02 0.02) = 0.544% QG1 VAL 47 - HG2 PRO 112 1.786% * 0.4322% (0.04 0.22 0.02) = 0.432% QG2 VAL 105 - HG3 PRO 86 1.786% * 0.4175% (0.42 0.02 0.02) = 0.417% QD1 LEU 17 - HG3 PRO 86 1.786% * 0.3949% (0.40 0.02 0.02) = 0.395% QG1 VAL 105 - HG3 PRO 86 1.786% * 0.3719% (0.37 0.02 0.02) = 0.372% QG2 VAL 87 - HG2 PRO 116 1.786% * 0.2941% (0.29 0.02 0.02) = 0.294% QG2 VAL 40 - HG2 PRO 116 1.786% * 0.2941% (0.29 0.02 0.02) = 0.294% QD1 LEU 67 - HG3 PRO 86 1.786% * 0.2798% (0.28 0.02 0.02) = 0.280% QG2 VAL 62 - HG2 PRO 116 1.786% * 0.2661% (0.27 0.02 0.02) = 0.266% QG2 VAL 40 - HG3 PRO 86 1.786% * 0.1961% (0.20 0.02 0.02) = 0.196% QG2 VAL 62 - HG3 PRO 86 1.786% * 0.1774% (0.18 0.02 0.02) = 0.177% QG2 ILE 29 - HG2 PRO 116 1.786% * 0.1706% (0.17 0.02 0.02) = 0.171% QG2 ILE 29 - HG3 PRO 86 1.786% * 0.1138% (0.11 0.02 0.02) = 0.114% QG2 VAL 80 - HG3 PRO 112 1.786% * 0.1069% (0.11 0.02 0.02) = 0.107% HG3 LYS+ 110 - HG3 PRO 112 1.786% * 0.1048% (0.11 0.02 0.02) = 0.105% HG12 ILE 68 - HG3 PRO 112 1.786% * 0.1011% (0.10 0.02 0.02) = 0.101% QG2 VAL 80 - HG2 PRO 112 1.786% * 0.0949% (0.10 0.02 0.02) = 0.095% HG3 LYS+ 110 - HG2 PRO 112 1.786% * 0.0931% (0.09 0.02 0.02) = 0.093% HG12 ILE 68 - HG2 PRO 112 1.786% * 0.0898% (0.09 0.02 0.02) = 0.090% QG2 VAL 105 - HG3 PRO 112 1.786% * 0.0776% (0.08 0.02 0.02) = 0.078% QD1 LEU 17 - HG3 PRO 112 1.786% * 0.0734% (0.07 0.02 0.02) = 0.073% QG1 VAL 105 - HG3 PRO 112 1.786% * 0.0692% (0.07 0.02 0.02) = 0.069% QG2 VAL 105 - HG2 PRO 112 1.786% * 0.0689% (0.07 0.02 0.02) = 0.069% QD1 LEU 17 - HG2 PRO 112 1.786% * 0.0652% (0.07 0.02 0.02) = 0.065% QG1 VAL 105 - HG2 PRO 112 1.786% * 0.0614% (0.06 0.02 0.02) = 0.061% HG3 LYS+ 117 - HG3 PRO 112 1.786% * 0.0605% (0.06 0.02 0.02) = 0.061% HG3 LYS+ 117 - HG2 PRO 112 1.786% * 0.0537% (0.05 0.02 0.02) = 0.054% QD1 LEU 67 - HG3 PRO 112 1.786% * 0.0520% (0.05 0.02 0.02) = 0.052% QD1 LEU 67 - HG2 PRO 112 1.786% * 0.0462% (0.05 0.02 0.02) = 0.046% QG1 VAL 47 - HG3 PRO 112 1.786% * 0.0440% (0.04 0.02 0.02) = 0.044% QG2 VAL 87 - HG3 PRO 112 1.786% * 0.0365% (0.04 0.02 0.02) = 0.036% QG2 VAL 40 - HG3 PRO 112 1.786% * 0.0365% (0.04 0.02 0.02) = 0.036% QG2 VAL 62 - HG3 PRO 112 1.786% * 0.0330% (0.03 0.02 0.10) = 0.033% QG2 VAL 40 - HG2 PRO 112 1.786% * 0.0324% (0.03 0.02 0.02) = 0.032% QG2 VAL 87 - HG2 PRO 112 1.786% * 0.0324% (0.03 0.02 0.02) = 0.032% QG2 VAL 73 - HG3 PRO 112 1.786% * 0.0238% (0.02 0.02 0.41) = 0.024% QG2 ILE 29 - HG3 PRO 112 1.786% * 0.0212% (0.02 0.02 0.85) = 0.021% Peak 2581 (0.82, 1.45, 27.71 ppm): 9 chemical-shift based assignments, quality = 0.455, support = 1.43, residual support = 3.02: T QD2 LEU 67 - HG3 PRO 52 11.111% * 30.8948% (0.47 10.00 0.35 0.14) = 30.895% kept QD2 LEU 17 - HG3 PRO 52 11.111% * 20.4182% (0.59 1.00 1.88 2.64) = 20.418% kept QG1 VAL 13 - HG3 PRO 52 11.111% * 17.9144% (0.40 1.00 2.40 8.41) = 17.914% kept QD1 ILE 29 - HG3 PRO 52 11.111% * 16.9365% (0.40 1.00 2.26 3.61) = 16.936% kept QG1 VAL 94 - HG3 PRO 52 11.111% * 6.4227% (0.54 1.00 0.64 0.02) = 6.423% kept QG2 VAL 13 - HG3 PRO 52 11.111% * 3.8145% (0.13 1.00 1.57 8.41) = 3.814% kept HG2 LYS+ 117 - HG3 PRO 52 11.111% * 3.3250% (0.26 1.00 0.68 0.02) = 3.325% kept QD2 LEU 90 - HG3 PRO 52 11.111% * 0.2135% (0.58 1.00 0.02 2.38) = 0.213% QD1 ILE 100 - HG3 PRO 52 11.111% * 0.0606% (0.16 1.00 0.02 0.02) = 0.061% Peak 2582 (0.84, 1.16, 27.48 ppm): 9 chemical-shift based assignments, quality = 0.469, support = 0.365, residual support = 0.118: QG1 VAL 13 - HG3 PRO 59 11.111% * 67.3961% (0.54 0.46 0.16) = 67.396% kept QD2 LEU 17 - HG3 PRO 59 11.111% * 18.0741% (0.22 0.30 0.02) = 18.074% kept HG2 LYS+ 117 - HG3 PRO 59 11.111% * 3.4539% (0.63 0.02 0.02) = 3.454% kept QG2 VAL 13 - HG3 PRO 59 11.111% * 3.4006% (0.62 0.02 0.16) = 3.401% kept QD1 ILE 29 - HG3 PRO 59 11.111% * 2.9432% (0.54 0.02 0.02) = 2.943% kept QG1 VAL 94 - HG3 PRO 59 11.111% * 1.9950% (0.37 0.02 0.02) = 1.995% kept QD1 LEU 90 - HG3 PRO 59 11.111% * 0.9797% (0.18 0.02 0.02) = 0.980% QG2 ILE 100 - HG3 PRO 59 11.111% * 0.8786% (0.16 0.02 0.02) = 0.879% QD2 LEU 90 - HG3 PRO 59 11.111% * 0.8786% (0.16 0.02 0.02) = 0.879% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2583 (0.73, 1.27, 27.62 ppm): 10 chemical-shift based assignments, quality = 0.592, support = 5.06, residual support = 109.3: * O QG2 ILE 101 - HG13 ILE 101 10.000% * 84.7704% (0.56 10.0 5.86 128.54) = 84.770% kept QG2 VAL 65 - HG13 ILE 101 10.000% * 4.7451% (0.83 1.0 0.75 5.60) = 4.745% kept QG1 VAL 40 - HG13 ILE 101 10.000% * 3.6496% (0.89 1.0 0.54 0.59) = 3.650% kept HG LEU 74 - HG13 ILE 101 10.000% * 3.5315% (0.78 1.0 0.59 0.02) = 3.532% kept QG2 ILE 48 - HG13 ILE 101 10.000% * 2.9008% (0.64 1.0 0.60 0.14) = 2.901% kept QD1 ILE 68 - HG13 ILE 101 10.000% * 0.1323% (0.87 1.0 0.02 0.10) = 0.132% HG3 LYS+ 44 - HG13 ILE 101 10.000% * 0.0942% (0.62 1.0 0.02 0.02) = 0.094% HG3 LYS+ 66 - HG13 ILE 101 10.000% * 0.0942% (0.62 1.0 0.02 9.41) = 0.094% QG2 THR 96 - HG13 ILE 101 10.000% * 0.0514% (0.34 1.0 0.02 0.02) = 0.051% QG1 VAL 65 - HG13 ILE 101 10.000% * 0.0305% (0.20 1.0 0.02 5.60) = 0.031% Peak 2584 (0.72, 0.71, 27.66 ppm): 1 diagonal assignment: * HG LEU 74 - HG LEU 74 (0.94) kept Peak 2585 (0.56, 1.28, 27.59 ppm): 3 chemical-shift based assignments, quality = 0.983, support = 5.08, residual support = 128.5: * O T QD1 ILE 101 - HG13 ILE 101 33.333% * 99.9596% (0.98 10.0 10.00 5.08 128.54) = 99.960% kept QG2 VAL 122 - HG13 ILE 101 33.333% * 0.0250% (0.25 1.0 1.00 0.02 0.02) = 0.025% QD1 LEU 23 - HG13 ILE 101 33.333% * 0.0155% (0.15 1.0 1.00 0.02 0.50) = 0.015% Peak 2586 (0.46, 0.72, 27.61 ppm): 2 chemical-shift based assignments, quality = 0.989, support = 5.28, residual support = 158.9: * O QD2 LEU 74 - HG LEU 74 50.000% * 99.9429% (0.99 10.0 5.28 158.96) = 99.943% kept QD2 LEU 43 - HG LEU 74 50.000% * 0.0571% (0.57 1.0 0.02 1.31) = 0.057% Peak 2587 (-0.03, 0.71, 27.67 ppm): 1 chemical-shift based assignment, quality = 0.771, support = 5.44, residual support = 159.0: * O T QD1 LEU 74 - HG LEU 74 100.000% *100.0000% (0.77 10.0 10.00 5.44 158.96) = 100.000% kept Peak 2588 (8.45, 1.78, 27.37 ppm): 12 chemical-shift based assignments, quality = 0.632, support = 3.6, residual support = 25.7: * HN ARG+ 53 - HG3 ARG+ 53 8.333% * 66.2329% (0.64 4.90 38.76) = 66.233% kept HN CYS 123 - HG3 ARG+ 53 8.333% * 18.2006% (0.60 1.44 0.11) = 18.201% kept HN ARG+ 53 - HG2 ARG+ 84 8.333% * 7.7392% (0.41 0.90 0.02) = 7.739% kept HN LEU 74 - HG3 ARG+ 53 8.333% * 6.7481% (0.96 0.33 0.02) = 6.748% kept HN LEU 74 - HG2 ARG+ 84 8.333% * 0.2577% (0.61 0.02 0.27) = 0.258% HN GLU- 107 - HG3 ARG+ 53 8.333% * 0.2034% (0.48 0.02 0.02) = 0.203% HN CYS 123 - HG2 ARG+ 84 8.333% * 0.1620% (0.39 0.02 0.02) = 0.162% HN GLU- 107 - HG2 ARG+ 84 8.333% * 0.1300% (0.31 0.02 0.02) = 0.130% HN GLY 92 - HG3 ARG+ 53 8.333% * 0.1162% (0.28 0.02 0.02) = 0.116% HN LYS+ 117 - HG3 ARG+ 53 8.333% * 0.0827% (0.20 0.02 0.02) = 0.083% HN GLY 92 - HG2 ARG+ 84 8.333% * 0.0743% (0.18 0.02 0.02) = 0.074% HN LYS+ 117 - HG2 ARG+ 84 8.333% * 0.0529% (0.13 0.02 0.02) = 0.053% Peak 2589 (4.30, 1.63, 27.21 ppm): 12 chemical-shift based assignments, quality = 0.0265, support = 2.87, residual support = 58.5: O HA ARG+ 84 - HG3 ARG+ 84 8.333% * 75.6309% (0.02 10.0 3.48 76.79) = 75.631% kept HA VAL 122 - HG3 ARG+ 84 8.333% * 9.0981% (0.04 1.0 1.34 1.53) = 9.098% kept HA SER 85 - HG3 ARG+ 84 8.333% * 5.8058% (0.02 1.0 1.54 5.62) = 5.806% kept HA CYS 121 - HG3 ARG+ 84 8.333% * 4.4570% (0.07 1.0 0.34 0.02) = 4.457% kept HB3 CYS 121 - HG3 ARG+ 84 8.333% * 3.7311% (0.06 1.0 0.34 0.02) = 3.731% kept HA ASP- 36 - HG3 ARG+ 84 8.333% * 0.3006% (0.08 1.0 0.02 0.02) = 0.301% HA THR 106 - HG3 ARG+ 84 8.333% * 0.2533% (0.07 1.0 0.02 0.02) = 0.253% HA ILE 29 - HG3 ARG+ 84 8.333% * 0.2318% (0.07 1.0 0.02 0.02) = 0.232% HA ALA 93 - HG3 ARG+ 84 8.333% * 0.1717% (0.05 1.0 0.02 0.02) = 0.172% HA LEU 90 - HG3 ARG+ 84 8.333% * 0.1596% (0.04 1.0 0.02 0.02) = 0.160% HA VAL 94 - HG3 ARG+ 84 8.333% * 0.0843% (0.02 1.0 0.02 0.02) = 0.084% HA PRO 52 - HG3 ARG+ 84 8.333% * 0.0756% (0.02 1.0 0.02 0.02) = 0.076% Peak 2590 (4.13, 1.78, 27.34 ppm): 14 chemical-shift based assignments, quality = 0.9, support = 3.78, residual support = 37.6: * O HA ARG+ 53 - HG3 ARG+ 53 7.143% * 97.0559% (0.92 10.0 3.88 38.76) = 97.056% kept HA ARG+ 53 - HG2 ARG+ 84 7.143% * 2.2203% (0.52 1.0 0.80 0.02) = 2.220% kept HA LYS+ 110 - HG3 ARG+ 53 7.143% * 0.1017% (0.96 1.0 0.02 0.02) = 0.102% HB3 SER 49 - HG3 ARG+ 53 7.143% * 0.1001% (0.94 1.0 0.02 0.02) = 0.100% HA2 GLY 71 - HG3 ARG+ 53 7.143% * 0.0990% (0.93 1.0 0.02 0.02) = 0.099% HB2 SER 88 - HG3 ARG+ 53 7.143% * 0.0822% (0.77 1.0 0.02 0.02) = 0.082% HA LYS+ 110 - HG2 ARG+ 84 7.143% * 0.0583% (0.55 1.0 0.02 0.02) = 0.058% HB3 SER 49 - HG2 ARG+ 84 7.143% * 0.0574% (0.54 1.0 0.02 0.02) = 0.057% HA2 GLY 71 - HG2 ARG+ 84 7.143% * 0.0567% (0.54 1.0 0.02 0.02) = 0.057% HB2 SER 88 - HG2 ARG+ 84 7.143% * 0.0471% (0.44 1.0 0.02 0.02) = 0.047% HA VAL 87 - HG3 ARG+ 53 7.143% * 0.0422% (0.40 1.0 0.02 0.02) = 0.042% HA THR 46 - HG3 ARG+ 53 7.143% * 0.0350% (0.33 1.0 0.02 0.02) = 0.035% HA VAL 87 - HG2 ARG+ 84 7.143% * 0.0242% (0.23 1.0 0.02 0.02) = 0.024% HA THR 46 - HG2 ARG+ 84 7.143% * 0.0201% (0.19 1.0 0.02 0.02) = 0.020% Peak 2591 (3.28, 1.78, 27.41 ppm): 8 chemical-shift based assignments, quality = 0.87, support = 1.71, residual support = 32.4: * O T HD3 ARG+ 53 - HG3 ARG+ 53 12.500% * 78.2210% (0.93 10.0 10.00 1.79 38.76) = 78.221% kept HD2 PRO 52 - HG3 ARG+ 53 12.500% * 8.9303% (0.68 1.0 1.00 3.14 23.29) = 8.930% kept T HD3 ARG+ 53 - HG2 ARG+ 84 12.500% * 8.8904% (0.75 1.0 10.00 0.28 0.02) = 8.890% kept HD3 ARG+ 22 - HG3 ARG+ 53 12.500% * 1.6604% (0.75 1.0 1.00 0.53 0.02) = 1.660% kept HD2 PRO 52 - HG2 ARG+ 84 12.500% * 0.9454% (0.54 1.0 1.00 0.42 0.02) = 0.945% T HE3 LYS+ 63 - HG3 ARG+ 53 12.500% * 0.7237% (0.86 1.0 10.00 0.02 0.02) = 0.724% T HE3 LYS+ 63 - HG2 ARG+ 84 12.500% * 0.5786% (0.69 1.0 10.00 0.02 0.02) = 0.579% HD3 ARG+ 22 - HG2 ARG+ 84 12.500% * 0.0502% (0.60 1.0 1.00 0.02 0.02) = 0.050% Peak 2593 (1.98, 4.35, 68.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2602 (1.78, 1.78, 27.39 ppm): 2 diagonal assignments: * HG3 ARG+ 53 - HG3 ARG+ 53 (0.96) kept HG2 ARG+ 84 - HG2 ARG+ 84 (0.65) kept Peak 2604 (1.45, 1.45, 27.27 ppm): 3 diagonal assignments: * HG2 PRO 59 - HG2 PRO 59 (0.84) kept HG LEU 90 - HG LEU 90 (0.65) kept HG3 PRO 52 - HG3 PRO 52 (0.06) kept Peak 2605 (1.45, 1.16, 27.45 ppm): 13 chemical-shift based assignments, quality = 0.66, support = 1.09, residual support = 9.0: * O T HG2 PRO 59 - HG3 PRO 59 7.692% * 57.5473% (0.67 10.0 10.00 1.00 7.13) = 57.547% kept T HG3 LYS+ 60 - HG3 PRO 59 7.692% * 38.0896% (0.67 1.0 10.00 1.32 12.86) = 38.090% kept T HG3 LYS+ 113 - HG3 PRO 59 7.692% * 3.2849% (0.46 1.0 10.00 0.17 0.02) = 3.285% kept T HG LEU 90 - HG3 PRO 59 7.692% * 0.5360% (0.63 1.0 10.00 0.02 0.02) = 0.536% T HG3 PRO 52 - HG3 PRO 59 7.692% * 0.3123% (0.37 1.0 10.00 0.02 0.02) = 0.312% HG13 ILE 48 - HG3 PRO 59 7.692% * 0.0466% (0.55 1.0 1.00 0.02 0.02) = 0.047% HG3 ARG+ 22 - HG3 PRO 59 7.692% * 0.0338% (0.40 1.0 1.00 0.02 0.02) = 0.034% HG3 LYS+ 55 - HG3 PRO 59 7.692% * 0.0338% (0.40 1.0 1.00 0.02 0.02) = 0.034% HD3 LYS+ 113 - HG3 PRO 59 7.692% * 0.0312% (0.37 1.0 1.00 0.02 0.02) = 0.031% HB3 LEU 67 - HG3 PRO 59 7.692% * 0.0264% (0.31 1.0 1.00 0.02 0.80) = 0.026% QG2 THR 38 - HG3 PRO 59 7.692% * 0.0241% (0.28 1.0 1.00 0.02 0.02) = 0.024% QB ALA 91 - HG3 PRO 59 7.692% * 0.0198% (0.23 1.0 1.00 0.02 0.02) = 0.020% HD3 LYS+ 44 - HG3 PRO 59 7.692% * 0.0143% (0.17 1.0 1.00 0.02 0.02) = 0.014% Peak 2611 (1.16, 1.15, 27.44 ppm): 1 diagonal assignment: * HG3 PRO 59 - HG3 PRO 59 (0.66) kept Peak 2614 (0.90, 0.92, 27.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2617 (4.32, 1.57, 27.07 ppm): 6 chemical-shift based assignments, quality = 0.762, support = 3.39, residual support = 14.7: HA ILE 29 - HG LEU 17 16.667% * 85.9114% (0.84 3.85 17.08) = 85.911% kept HA ASP- 36 - HG LEU 17 16.667% * 7.0602% (0.41 0.65 0.02) = 7.060% kept HA CYS 121 - HG LEU 17 16.667% * 3.0820% (0.23 0.51 0.02) = 3.082% kept HB3 CYS 121 - HG LEU 17 16.667% * 1.8470% (0.14 0.50 0.02) = 1.847% kept HA THR 106 - HG LEU 17 16.667% * 1.6176% (0.20 0.30 0.02) = 1.618% kept HA ALA 93 - HG LEU 17 16.667% * 0.4818% (0.91 0.02 0.23) = 0.482% Reference assignment not found: HA ILE 29 - HG12 ILE 29 Peak 2618 (4.32, 0.99, 26.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA ILE 29 - HG13 ILE 29 Peak unassigned. Peak 2622 (1.61, 1.61, 27.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2630 (0.97, 1.56, 27.04 ppm): 4 chemical-shift based assignments, quality = 0.392, support = 4.37, residual support = 16.4: T QG2 ILE 29 - HG LEU 17 25.000% * 96.1659% (0.38 10.00 4.53 17.08) = 96.166% kept QG2 VAL 99 - HG LEU 17 25.000% * 3.4725% (0.71 1.00 0.39 0.32) = 3.472% kept QG2 VAL 62 - HG LEU 17 25.000% * 0.2734% (0.26 1.00 0.08 0.02) = 0.273% QG2 VAL 73 - HG LEU 17 25.000% * 0.0882% (0.35 1.00 0.02 0.02) = 0.088% Peak 2633 (0.84, 1.56, 27.04 ppm): 9 chemical-shift based assignments, quality = 0.676, support = 2.65, residual support = 36.7: T QD1 ILE 29 - HG LEU 17 11.111% * 66.0859% (0.82 1.0 10.00 2.01 17.08) = 66.086% kept * O T QD2 LEU 17 - HG LEU 17 11.111% * 28.5935% (0.35 10.0 10.00 4.58 88.43) = 28.593% kept T QG1 VAL 13 - HG LEU 17 11.111% * 3.4854% (0.82 1.0 10.00 0.11 0.02) = 3.485% kept QG1 VAL 94 - HG LEU 17 11.111% * 1.1910% (0.57 1.0 1.00 0.52 7.18) = 1.191% kept HG2 LYS+ 117 - HG LEU 17 11.111% * 0.3244% (0.93 1.0 1.00 0.09 0.02) = 0.324% T QD2 LEU 90 - HG LEU 17 11.111% * 0.2118% (0.26 1.0 10.00 0.02 0.17) = 0.212% QG2 VAL 13 - HG LEU 17 11.111% * 0.0721% (0.89 1.0 1.00 0.02 0.02) = 0.072% QD1 LEU 90 - HG LEU 17 11.111% * 0.0190% (0.23 1.0 1.00 0.02 0.17) = 0.019% QG2 ILE 100 - HG LEU 17 11.111% * 0.0170% (0.21 1.0 1.00 0.02 0.02) = 0.017% Peak 2635 (4.56, 1.37, 26.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2636 (2.90, 1.65, 26.73 ppm): 5 chemical-shift based assignments, quality = 0.13, support = 3.19, residual support = 7.52: T HB2 HIS+ 98 - HG2 ARG+ 22 20.000% * 89.5652% (0.13 10.00 3.45 8.33) = 89.565% kept HE3 LYS+ 81 - HG2 ARG+ 22 20.000% * 5.8540% (0.14 1.00 1.17 0.02) = 5.854% kept HB3 ASN 57 - HG2 ARG+ 22 20.000% * 3.7368% (0.14 1.00 0.75 1.50) = 3.737% kept HB2 CYS 121 - HG2 ARG+ 22 20.000% * 0.4579% (0.08 1.00 0.16 0.02) = 0.458% HE3 LYS+ 60 - HG2 ARG+ 22 20.000% * 0.3861% (0.06 1.00 0.17 0.02) = 0.386% Peak 2637 (2.90, 1.38, 26.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2638 (2.17, 1.64, 26.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2639 (2.18, 1.38, 26.66 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2640 (1.63, 1.38, 26.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2641 (1.40, 1.65, 26.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HG3 ARG+ 53 - HG3 ARG+ 53 Peak unassigned. Peak 2642 (0.84, 0.81, 26.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2643 (4.11, 4.11, 67.75 ppm): 1 diagonal assignment: * HA THR 46 - HA THR 46 (0.92) kept Peak 2644 (3.46, 3.45, 67.59 ppm): 1 diagonal assignment: * HA VAL 80 - HA VAL 80 (0.98) kept Peak 2645 (2.28, 3.45, 67.62 ppm): 10 chemical-shift based assignments, quality = 0.79, support = 2.58, residual support = 18.9: * O T HB VAL 80 - HA VAL 80 10.000% * 73.6556% (0.78 10.0 10.00 3.30 25.64) = 73.656% kept T HB2 LYS+ 44 - HA VAL 80 10.000% * 25.0797% (0.87 1.0 10.00 0.61 0.12) = 25.080% kept T HB3 PRO 112 - HA VAL 80 10.000% * 0.8897% (0.94 1.0 10.00 0.02 0.02) = 0.890% HG2 PRO 112 - HA VAL 80 10.000% * 0.0883% (0.93 1.0 1.00 0.02 0.02) = 0.088% HB3 LYS+ 117 - HA VAL 80 10.000% * 0.0798% (0.84 1.0 1.00 0.02 0.02) = 0.080% HG3 GLU- 75 - HA VAL 80 10.000% * 0.0798% (0.84 1.0 1.00 0.02 0.02) = 0.080% HG3 GLU- 54 - HA VAL 80 10.000% * 0.0412% (0.43 1.0 1.00 0.02 0.02) = 0.041% HG3 GLU- 107 - HA VAL 80 10.000% * 0.0345% (0.36 1.0 1.00 0.02 0.02) = 0.035% HB3 PRO 116 - HA VAL 80 10.000% * 0.0284% (0.30 1.0 1.00 0.02 0.02) = 0.028% HG2 GLU- 64 - HA VAL 80 10.000% * 0.0229% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 2647 (1.44, 0.86, 26.29 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2648 (1.32, 4.11, 67.63 ppm): 4 chemical-shift based assignments, quality = 0.938, support = 2.78, residual support = 24.8: * O T QG2 THR 46 - HA THR 46 25.000% * 98.9347% (0.95 10.0 10.00 2.81 25.02) = 98.935% kept QB ALA 103 - HA THR 46 25.000% * 0.9517% (0.50 1.0 1.00 0.36 0.31) = 0.952% HB2 ARG+ 22 - HA THR 46 25.000% * 0.0860% (0.82 1.0 1.00 0.02 0.02) = 0.086% HB2 LYS+ 55 - HA THR 46 25.000% * 0.0276% (0.26 1.0 1.00 0.02 0.02) = 0.028% Peak 2651 (8.88, 0.91, 26.07 ppm): 3 chemical-shift based assignments, quality = 0.514, support = 4.15, residual support = 27.0: * HN ILE 68 - QD1 LEU 67 33.333% * 77.1314% (0.39 5.19 34.86) = 77.131% kept HN ASP- 36 - QD1 LEU 67 33.333% * 22.6221% (0.94 0.64 0.59) = 22.622% kept HN GLN 102 - QD1 LEU 67 33.333% * 0.2466% (0.33 0.02 0.02) = 0.247% Peak 2652 (7.33, 3.08, 67.44 ppm): 6 chemical-shift based assignments, quality = 0.79, support = 4.58, residual support = 66.2: * O HN VAL 47 - HA VAL 47 16.667% * 83.1115% (0.78 10.0 5.30 78.85) = 83.112% kept QD PHE 34 - HA VAL 47 16.667% * 5.8742% (0.83 1.0 1.33 4.08) = 5.874% kept QE PHE 34 - HA VAL 47 16.667% * 5.5178% (0.83 1.0 1.25 4.08) = 5.518% kept HZ2 TRP 51 - HA VAL 47 16.667% * 3.0914% (0.83 1.0 0.70 4.00) = 3.091% kept HZ PHE 34 - HA VAL 47 16.667% * 2.3250% (0.83 1.0 0.53 4.08) = 2.325% kept HN ARG+ 84 - HA VAL 47 16.667% * 0.0800% (0.75 1.0 0.02 0.02) = 0.080% Peak 2653 (7.05, 0.91, 26.07 ppm): 2 chemical-shift based assignments, quality = 0.845, support = 2.32, residual support = 8.45: * T QE PHE 21 - QD1 LEU 67 50.000% * 75.7696% (0.88 10.00 2.82 11.03) = 75.770% kept T QD TYR 83 - QD1 LEU 67 50.000% * 24.2304% (0.74 10.00 0.76 0.36) = 24.230% kept Peak 2654 (6.89, 0.91, 26.06 ppm): 3 chemical-shift based assignments, quality = 0.793, support = 2.24, residual support = 8.72: * QD PHE 21 - QD1 LEU 67 33.333% * 78.9740% (0.77 2.74 11.03) = 78.974% kept HD22 ASN 15 - QD1 LEU 67 33.333% * 15.3169% (0.97 0.43 0.02) = 15.317% kept HD21 ASN 119 - QD1 LEU 67 33.333% * 5.7091% (0.59 0.26 0.02) = 5.709% kept Peak 2655 (5.57, 0.90, 26.07 ppm): 1 chemical-shift based assignment, quality = 0.927, support = 6.95, residual support = 115.0: * T HA LEU 67 - QD1 LEU 67 100.000% *100.0000% (0.93 10.00 6.95 114.96) = 100.000% kept Peak 2656 (4.71, 0.91, 26.04 ppm): 6 chemical-shift based assignments, quality = 0.873, support = 0.555, residual support = 0.191: * HA VAL 99 - QD1 LEU 67 16.667% * 42.4613% (0.95 0.75 0.42) = 42.461% kept HA GLN 16 - QD1 LEU 67 16.667% * 26.1005% (0.85 0.51 0.02) = 26.100% kept HA LYS+ 20 - QD1 LEU 67 16.667% * 16.9808% (0.64 0.45 0.02) = 16.981% kept HA THR 39 - QD1 LEU 67 16.667% * 12.2011% (0.95 0.22 0.02) = 12.201% kept HA THR 61 - QD1 LEU 67 16.667% * 1.1733% (0.99 0.02 0.02) = 1.173% kept HA2 GLY 30 - QD1 LEU 67 16.667% * 1.0831% (0.91 0.02 0.02) = 1.083% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2657 (3.09, 3.08, 67.42 ppm): 1 diagonal assignment: * HA VAL 47 - HA VAL 47 (0.87) kept Peak 2661 (1.42, 0.91, 25.91 ppm): 13 chemical-shift based assignments, quality = 0.465, support = 3.04, residual support = 85.3: * O HG LEU 67 - QD1 LEU 67 7.692% * 73.8643% (0.38 10.0 3.85 114.96) = 73.864% kept HD3 LYS+ 44 - QD1 LEU 67 7.692% * 7.1839% (0.84 1.0 0.89 0.80) = 7.184% kept HG3 ARG+ 22 - QD1 LEU 67 7.692% * 5.9032% (0.79 1.0 0.78 0.70) = 5.903% kept QG2 THR 38 - QD1 LEU 67 7.692% * 5.8617% (0.85 1.0 0.72 0.10) = 5.862% kept HG13 ILE 100 - QD1 LEU 67 7.692% * 3.1432% (0.35 1.0 0.93 8.63) = 3.143% kept QB ALA 37 - QD1 LEU 67 7.692% * 2.5605% (0.55 1.0 0.48 0.02) = 2.561% kept HD3 LYS+ 20 - QD1 LEU 67 7.692% * 0.6932% (0.13 1.0 0.55 0.02) = 0.693% QB ALA 91 - QD1 LEU 67 7.692% * 0.1648% (0.86 1.0 0.02 0.02) = 0.165% HD3 LYS+ 113 - QD1 LEU 67 7.692% * 0.1559% (0.81 1.0 0.02 0.02) = 0.156% HG3 LYS+ 55 - QD1 LEU 67 7.692% * 0.1521% (0.79 1.0 0.02 0.02) = 0.152% HG3 LYS+ 113 - QD1 LEU 67 7.692% * 0.1429% (0.74 1.0 0.02 0.02) = 0.143% HG LEU 90 - QD1 LEU 67 7.692% * 0.1066% (0.55 1.0 0.02 0.02) = 0.107% QB ALA 93 - QD1 LEU 67 7.692% * 0.0677% (0.35 1.0 0.02 0.02) = 0.068% Peak 2662 (1.20, 0.91, 26.03 ppm): 5 chemical-shift based assignments, quality = 0.501, support = 5.79, residual support = 102.3: * O HB2 LEU 67 - QD1 LEU 67 20.000% * 87.6890% (0.52 10.0 6.31 114.96) = 87.689% kept HB2 LEU 74 - QD1 LEU 67 20.000% * 8.6092% (0.38 1.0 2.66 17.09) = 8.609% kept HB3 ARG+ 22 - QD1 LEU 67 20.000% * 2.5159% (0.38 1.0 0.78 0.70) = 2.516% kept QG2 THR 106 - QD1 LEU 67 20.000% * 1.1573% (0.17 1.0 0.81 0.02) = 1.157% kept HG12 ILE 100 - QD1 LEU 67 20.000% * 0.0286% (0.17 1.0 0.02 8.63) = 0.029% Peak 2664 (0.89, 3.08, 67.43 ppm): 9 chemical-shift based assignments, quality = 0.629, support = 3.58, residual support = 70.9: * O QG1 VAL 47 - HA VAL 47 11.111% * 89.8423% (0.62 10.0 3.91 78.85) = 89.842% kept QD1 LEU 67 - HA VAL 47 11.111% * 4.2256% (0.55 1.0 1.07 0.45) = 4.226% kept QG1 VAL 80 - HA VAL 47 11.111% * 3.8941% (0.90 1.0 0.60 0.02) = 3.894% kept QG2 VAL 125 - HA VAL 47 11.111% * 1.6925% (0.81 1.0 0.29 0.02) = 1.692% kept QG2 VAL 87 - HA VAL 47 11.111% * 0.1000% (0.69 1.0 0.02 0.02) = 0.100% QG2 VAL 40 - HA VAL 47 11.111% * 0.1000% (0.69 1.0 0.02 0.02) = 0.100% HG3 LYS+ 117 - HA VAL 47 11.111% * 0.0688% (0.48 1.0 0.02 0.02) = 0.069% QG2 ILE 100 - HA VAL 47 11.111% * 0.0404% (0.28 1.0 0.02 0.02) = 0.040% QD1 LEU 90 - HA VAL 47 11.111% * 0.0364% (0.25 1.0 0.02 0.02) = 0.036% Peak 2665 (0.11, 3.08, 67.44 ppm): 1 chemical-shift based assignment, quality = 0.725, support = 3.24, residual support = 78.9: * O T QG2 VAL 47 - HA VAL 47 100.000% *100.0000% (0.72 10.0 10.00 3.24 78.85) = 100.000% kept Peak 2666 (0.11, 0.91, 26.02 ppm): 1 chemical-shift based assignment, quality = 0.857, support = 0.454, residual support = 0.454: T QG2 VAL 47 - QD1 LEU 67 100.000% *100.0000% (0.86 10.00 0.45 0.45) = 100.000% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2667 (8.82, 0.45, 25.58 ppm): 6 chemical-shift based assignments, quality = 0.791, support = 0.852, residual support = 0.811: HN LYS+ 60 - QD2 LEU 74 16.667% * 42.5912% (0.79 1.06 1.30) = 42.591% kept HN LYS+ 32 - QD2 LEU 74 16.667% * 29.6229% (0.82 0.72 0.57) = 29.623% kept HN ASN 57 - QD2 LEU 74 16.667% * 27.0222% (0.78 0.69 0.34) = 27.022% kept HN LYS+ 32 - QD2 LEU 43 16.667% * 0.2608% (0.26 0.02 0.02) = 0.261% HN LYS+ 60 - QD2 LEU 43 16.667% * 0.2540% (0.25 0.02 0.02) = 0.254% HN ASN 57 - QD2 LEU 43 16.667% * 0.2489% (0.25 0.02 0.02) = 0.249% Reference assignment not found: HN SER 69 - QD2 LEU 74 Peak 2668 (8.47, 0.45, 25.58 ppm): 12 chemical-shift based assignments, quality = 0.61, support = 3.83, residual support = 99.0: * HN LEU 74 - QD2 LEU 74 8.333% * 62.2067% (0.52 5.66 158.96) = 62.207% kept HN GLU- 107 - QD2 LEU 74 8.333% * 18.2103% (0.85 1.01 0.72) = 18.210% kept HN GLY 92 - QD2 LEU 74 8.333% * 12.0385% (0.81 0.70 0.25) = 12.039% kept HN LYS+ 113 - QD2 LEU 74 8.333% * 6.7185% (0.55 0.57 0.02) = 6.718% kept HN GLU- 18 - QD2 LEU 74 8.333% * 0.1906% (0.45 0.02 0.02) = 0.191% HN GLU- 107 - QD2 LEU 43 8.333% * 0.1257% (0.30 0.02 0.02) = 0.126% HN GLU- 10 - QD2 LEU 74 8.333% * 0.1236% (0.29 0.02 0.02) = 0.124% HN GLY 92 - QD2 LEU 43 8.333% * 0.1191% (0.28 0.02 0.02) = 0.119% HN LYS+ 113 - QD2 LEU 43 8.333% * 0.0815% (0.19 0.02 0.02) = 0.081% HN LEU 74 - QD2 LEU 43 8.333% * 0.0764% (0.18 0.02 1.31) = 0.076% HN GLU- 18 - QD2 LEU 43 8.333% * 0.0663% (0.16 0.02 0.02) = 0.066% HN GLU- 10 - QD2 LEU 43 8.333% * 0.0430% (0.10 0.02 0.02) = 0.043% Peak 2669 (7.99, 1.62, 25.69 ppm): 4 chemical-shift based assignments, quality = 0.811, support = 5.76, residual support = 158.3: * HN LEU 43 - HG LEU 43 25.000% * 88.0262% (0.81 6.44 179.85) = 88.026% kept HN MET 126 - HG LEU 43 25.000% * 11.1947% (0.85 0.79 0.28) = 11.195% kept HN LYS+ 111 - HG LEU 43 25.000% * 0.6445% (0.40 0.10 0.02) = 0.645% HN SER 27 - HG LEU 43 25.000% * 0.1346% (0.40 0.02 0.02) = 0.135% Peak 2670 (7.98, 0.48, 25.65 ppm): 8 chemical-shift based assignments, quality = 0.35, support = 5.66, residual support = 149.9: * HN LEU 43 - QD2 LEU 43 12.500% * 83.2760% (0.36 6.67 179.85) = 83.276% kept HN LEU 43 - QD2 LEU 74 12.500% * 8.5763% (0.41 0.60 1.31) = 8.576% kept HN MET 126 - QD2 LEU 43 12.500% * 5.9087% (0.20 0.83 0.28) = 5.909% kept HN MET 126 - QD2 LEU 74 12.500% * 1.4819% (0.23 0.18 0.02) = 1.482% kept HN SER 27 - QD2 LEU 74 12.500% * 0.6193% (0.07 0.25 0.02) = 0.619% HN LYS+ 111 - QD2 LEU 74 12.500% * 0.0501% (0.07 0.02 0.02) = 0.050% HN SER 27 - QD2 LEU 43 12.500% * 0.0438% (0.06 0.02 0.02) = 0.044% HN LYS+ 111 - QD2 LEU 43 12.500% * 0.0438% (0.06 0.02 0.02) = 0.044% Peak 2672 (3.72, 0.45, 25.58 ppm): 8 chemical-shift based assignments, quality = 0.633, support = 3.24, residual support = 36.3: * T HB3 SER 69 - QD2 LEU 74 12.500% * 75.4789% (0.76 10.00 3.72 42.02) = 75.479% kept T HB3 SER 69 - QD2 LEU 43 12.500% * 19.2787% (0.26 10.00 1.49 1.67) = 19.279% kept HA LEU 43 - QD2 LEU 43 12.500% * 2.3484% (0.09 1.00 5.26 179.85) = 2.348% kept HA LEU 43 - QD2 LEU 74 12.500% * 1.5092% (0.26 1.00 1.16 1.31) = 1.509% kept HA LYS+ 81 - QD2 LEU 74 12.500% * 1.3022% (0.54 1.00 0.48 0.32) = 1.302% kept HB2 TRP 51 - QD2 LEU 74 12.500% * 0.0476% (0.48 1.00 0.02 0.02) = 0.048% HA LYS+ 81 - QD2 LEU 43 12.500% * 0.0187% (0.19 1.00 0.02 0.02) = 0.019% HB2 TRP 51 - QD2 LEU 43 12.500% * 0.0164% (0.16 1.00 0.02 0.02) = 0.016% Peak 2673 (3.45, 0.48, 25.58 ppm): 12 chemical-shift based assignments, quality = 0.478, support = 1.8, residual support = 3.28: * HA VAL 40 - QD2 LEU 43 8.333% * 28.0697% (0.56 2.35 4.76) = 28.070% kept HA VAL 80 - QD2 LEU 43 8.333% * 22.1149% (0.56 1.86 4.17) = 22.115% kept HA VAL 62 - QD2 LEU 43 8.333% * 19.1099% (0.43 2.09 3.21) = 19.110% kept HD3 PRO 31 - QD2 LEU 43 8.333% * 12.4667% (0.45 1.30 2.32) = 12.467% kept HA ILE 48 - QD2 LEU 43 8.333% * 6.9441% (0.23 1.41 1.60) = 6.944% kept HA1 GLY 71 - QD2 LEU 43 8.333% * 6.4585% (0.36 0.83 0.14) = 6.458% kept HD3 PRO 31 - QD2 LEU 74 8.333% * 3.8950% (0.47 0.39 0.02) = 3.895% kept HA VAL 40 - QD2 LEU 74 8.333% * 0.2464% (0.58 0.02 11.48) = 0.246% HA VAL 80 - QD2 LEU 74 8.333% * 0.2448% (0.58 0.02 0.02) = 0.245% HA VAL 62 - QD2 LEU 74 8.333% * 0.1887% (0.44 0.02 0.02) = 0.189% HA1 GLY 71 - QD2 LEU 74 8.333% * 0.1598% (0.38 0.02 0.02) = 0.160% HA ILE 48 - QD2 LEU 74 8.333% * 0.1015% (0.24 0.02 0.02) = 0.102% Peak 2674 (2.11, 0.48, 25.60 ppm): 26 chemical-shift based assignments, quality = 0.473, support = 3.66, residual support = 107.3: * O T HB3 LEU 43 - QD2 LEU 43 3.846% * 58.1946% (0.49 10.0 10.00 5.30 179.85) = 58.195% kept T HB3 LEU 43 - QD2 LEU 74 3.846% * 28.1487% (0.46 1.0 10.00 1.02 1.31) = 28.149% kept HB3 GLU- 75 - QD2 LEU 74 3.846% * 8.0919% (0.45 1.0 1.00 3.01 27.89) = 8.092% kept HG2 PRO 112 - QD2 LEU 74 3.846% * 2.8355% (0.41 1.0 1.00 1.16 0.48) = 2.835% kept HB3 GLU- 75 - QD2 LEU 43 3.846% * 2.0398% (0.47 1.0 1.00 0.72 0.02) = 2.040% kept HB VAL 87 - QD2 LEU 43 3.846% * 0.0582% (0.49 1.0 1.00 0.02 0.02) = 0.058% HB2 GLU- 56 - QD2 LEU 43 3.846% * 0.0573% (0.48 1.0 1.00 0.02 0.02) = 0.057% HB VAL 87 - QD2 LEU 74 3.846% * 0.0553% (0.46 1.0 1.00 0.02 0.02) = 0.055% HB2 GLU- 56 - QD2 LEU 74 3.846% * 0.0545% (0.46 1.0 1.00 0.02 0.02) = 0.054% HG2 PRO 112 - QD2 LEU 43 3.846% * 0.0512% (0.43 1.0 1.00 0.02 0.02) = 0.051% HB VAL 105 - QD2 LEU 43 3.846% * 0.0475% (0.40 1.0 1.00 0.02 0.02) = 0.048% HB VAL 105 - QD2 LEU 74 3.846% * 0.0452% (0.38 1.0 1.00 0.02 0.02) = 0.045% HB VAL 65 - QD2 LEU 43 3.846% * 0.0384% (0.32 1.0 1.00 0.02 0.02) = 0.038% HB VAL 65 - QD2 LEU 74 3.846% * 0.0365% (0.31 1.0 1.00 0.02 0.02) = 0.037% HG2 GLU- 45 - QD2 LEU 43 3.846% * 0.0360% (0.30 1.0 1.00 0.02 0.02) = 0.036% HG2 GLU- 45 - QD2 LEU 74 3.846% * 0.0342% (0.29 1.0 1.00 0.02 0.02) = 0.034% HB2 MET 118 - QD2 LEU 43 3.846% * 0.0266% (0.22 1.0 1.00 0.02 0.02) = 0.027% HB2 MET 118 - QD2 LEU 74 3.846% * 0.0253% (0.21 1.0 1.00 0.02 0.02) = 0.025% HB2 ASP- 28 - QD2 LEU 43 3.846% * 0.0183% (0.15 1.0 1.00 0.02 0.02) = 0.018% HB VAL 125 - QD2 LEU 43 3.846% * 0.0183% (0.15 1.0 1.00 0.02 0.14) = 0.018% HB2 ASP- 28 - QD2 LEU 74 3.846% * 0.0174% (0.15 1.0 1.00 0.02 0.02) = 0.017% HB VAL 125 - QD2 LEU 74 3.846% * 0.0174% (0.15 1.0 1.00 0.02 0.02) = 0.017% HB2 LYS+ 110 - QD2 LEU 43 3.846% * 0.0148% (0.12 1.0 1.00 0.02 0.11) = 0.015% HB2 LYS+ 110 - QD2 LEU 74 3.846% * 0.0141% (0.12 1.0 1.00 0.02 0.02) = 0.014% HD3 LYS+ 110 - QD2 LEU 43 3.846% * 0.0117% (0.10 1.0 1.00 0.02 0.11) = 0.012% HD3 LYS+ 110 - QD2 LEU 74 3.846% * 0.0112% (0.09 1.0 1.00 0.02 0.02) = 0.011% Peak 2676 (1.64, 0.48, 25.61 ppm): 24 chemical-shift based assignments, quality = 0.288, support = 3.36, residual support = 102.0: * O T HG LEU 43 - QD2 LEU 43 4.167% * 56.4703% (0.28 10.0 10.00 5.10 179.85) = 56.470% kept T HG LEU 43 - QD2 LEU 74 4.167% * 28.0462% (0.32 1.0 10.00 0.88 1.31) = 28.046% kept HB ILE 68 - QD2 LEU 74 4.167% * 6.4760% (0.32 1.0 1.00 2.03 1.07) = 6.476% kept HG3 ARG+ 84 - QD2 LEU 74 4.167% * 3.9783% (0.25 1.0 1.00 1.55 0.27) = 3.978% kept HB ILE 68 - QD2 LEU 43 4.167% * 2.6059% (0.28 1.0 1.00 0.92 0.61) = 2.606% kept HB3 LYS+ 66 - QD2 LEU 43 4.167% * 1.5689% (0.14 1.0 1.00 1.09 0.02) = 1.569% kept HG2 ARG+ 22 - QD2 LEU 74 4.167% * 0.1015% (0.51 1.0 1.00 0.02 0.02) = 0.102% HG2 ARG+ 22 - QD2 LEU 43 4.167% * 0.0899% (0.45 1.0 1.00 0.02 0.14) = 0.090% HG LEU 23 - QD2 LEU 74 4.167% * 0.0764% (0.38 1.0 1.00 0.02 0.02) = 0.076% HG12 ILE 101 - QD2 LEU 74 4.167% * 0.0681% (0.34 1.0 1.00 0.02 0.02) = 0.068% HG LEU 23 - QD2 LEU 43 4.167% * 0.0676% (0.34 1.0 1.00 0.02 0.02) = 0.068% HB VAL 122 - QD2 LEU 74 4.167% * 0.0638% (0.32 1.0 1.00 0.02 0.02) = 0.064% HG12 ILE 101 - QD2 LEU 43 4.167% * 0.0602% (0.30 1.0 1.00 0.02 0.02) = 0.060% HB VAL 122 - QD2 LEU 43 4.167% * 0.0565% (0.28 1.0 1.00 0.02 0.02) = 0.056% HG3 ARG+ 84 - QD2 LEU 43 4.167% * 0.0453% (0.23 1.0 1.00 0.02 0.02) = 0.045% HG3 LYS+ 78 - QD2 LEU 74 4.167% * 0.0359% (0.18 1.0 1.00 0.02 0.02) = 0.036% HB3 LYS+ 66 - QD2 LEU 74 4.167% * 0.0325% (0.16 1.0 1.00 0.02 0.11) = 0.032% HG3 LYS+ 78 - QD2 LEU 43 4.167% * 0.0318% (0.16 1.0 1.00 0.02 0.02) = 0.032% HB ILE 100 - QD2 LEU 74 4.167% * 0.0293% (0.15 1.0 1.00 0.02 0.02) = 0.029% HB ILE 100 - QD2 LEU 43 4.167% * 0.0259% (0.13 1.0 1.00 0.02 0.02) = 0.026% HB3 MET 97 - QD2 LEU 74 4.167% * 0.0208% (0.10 1.0 1.00 0.02 1.03) = 0.021% HB3 MET 97 - QD2 LEU 43 4.167% * 0.0184% (0.09 1.0 1.00 0.02 0.02) = 0.018% HB3 MET 126 - QD2 LEU 74 4.167% * 0.0162% (0.08 1.0 1.00 0.02 0.02) = 0.016% HB3 MET 126 - QD2 LEU 43 4.167% * 0.0144% (0.07 1.0 1.00 0.02 0.28) = 0.014% Peak 2677 (1.46, 0.47, 25.55 ppm): 26 chemical-shift based assignments, quality = 0.498, support = 2.94, residual support = 11.0: * T HB3 LEU 67 - QD2 LEU 74 3.846% * 51.5381% (0.54 10.00 4.14 17.09) = 51.538% kept T HB3 LEU 67 - QD2 LEU 43 3.846% * 36.2390% (0.45 10.00 1.69 3.85) = 36.239% kept HG3 LYS+ 60 - QD2 LEU 74 3.846% * 3.3783% (0.75 1.00 0.95 1.30) = 3.378% kept HB3 LYS+ 44 - QD2 LEU 43 3.846% * 2.4634% (0.14 1.00 3.75 27.76) = 2.463% kept HG3 PRO 52 - QD2 LEU 74 3.846% * 1.7493% (0.60 1.00 0.62 0.14) = 1.749% kept QB ALA 70 - QD2 LEU 74 3.846% * 1.6210% (0.15 1.00 2.31 0.34) = 1.621% kept HG2 PRO 59 - QD2 LEU 74 3.846% * 1.4635% (0.75 1.00 0.41 1.53) = 1.464% kept HB3 LYS+ 44 - QD2 LEU 74 3.846% * 1.0226% (0.17 1.00 1.29 0.61) = 1.023% kept HG13 ILE 48 - QD2 LEU 74 3.846% * 0.0685% (0.72 1.00 0.02 0.02) = 0.068% HG2 PRO 59 - QD2 LEU 43 3.846% * 0.0589% (0.62 1.00 0.02 0.02) = 0.059% HG3 LYS+ 60 - QD2 LEU 43 3.846% * 0.0589% (0.62 1.00 0.02 0.02) = 0.059% HG13 ILE 48 - QD2 LEU 43 3.846% * 0.0570% (0.60 1.00 0.02 1.60) = 0.057% HG3 PRO 52 - QD2 LEU 43 3.846% * 0.0473% (0.50 1.00 0.02 0.02) = 0.047% HG LEU 90 - QD2 LEU 74 3.846% * 0.0373% (0.39 1.00 0.02 0.11) = 0.037% HG LEU 90 - QD2 LEU 43 3.846% * 0.0311% (0.33 1.00 0.02 0.02) = 0.031% HG3 LYS+ 113 - QD2 LEU 74 3.846% * 0.0219% (0.23 1.00 0.02 0.02) = 0.022% HG3 LYS+ 113 - QD2 LEU 43 3.846% * 0.0182% (0.19 1.00 0.02 0.02) = 0.018% HG3 LYS+ 55 - QD2 LEU 74 3.846% * 0.0177% (0.19 1.00 0.02 0.02) = 0.018% HG3 ARG+ 22 - QD2 LEU 74 3.846% * 0.0177% (0.19 1.00 0.02 0.02) = 0.018% HD3 LYS+ 113 - QD2 LEU 74 3.846% * 0.0158% (0.17 1.00 0.02 0.02) = 0.016% HG3 LYS+ 55 - QD2 LEU 43 3.846% * 0.0147% (0.16 1.00 0.02 0.02) = 0.015% HG3 ARG+ 22 - QD2 LEU 43 3.846% * 0.0147% (0.16 1.00 0.02 0.14) = 0.015% HD3 LYS+ 113 - QD2 LEU 43 3.846% * 0.0131% (0.14 1.00 0.02 0.02) = 0.013% QB ALA 70 - QD2 LEU 43 3.846% * 0.0117% (0.12 1.00 0.02 0.02) = 0.012% QG2 THR 38 - QD2 LEU 74 3.846% * 0.0110% (0.12 1.00 0.02 0.02) = 0.011% QG2 THR 38 - QD2 LEU 43 3.846% * 0.0091% (0.10 1.00 0.02 1.45) = 0.009% Peak 2679 (1.19, 0.47, 25.61 ppm): 12 chemical-shift based assignments, quality = 0.409, support = 4.07, residual support = 109.6: * O T HB2 LEU 74 - QD2 LEU 74 8.333% * 50.3702% (0.61 10.0 10.00 5.52 158.96) = 50.370% kept O T HB2 LEU 43 - QD2 LEU 43 8.333% * 14.9955% (0.18 10.0 10.00 5.30 179.85) = 14.995% kept T HB2 LEU 43 - QD2 LEU 74 8.333% * 14.4700% (0.30 1.0 10.00 1.17 1.31) = 14.470% kept T HB2 LEU 67 - QD2 LEU 74 8.333% * 12.5016% (0.18 1.0 10.00 1.66 17.09) = 12.502% kept T HB2 LEU 67 - QD2 LEU 43 8.333% * 7.2706% (0.11 1.0 10.00 1.60 3.85) = 7.271% kept T HB2 LEU 74 - QD2 LEU 43 8.333% * 0.3047% (0.37 1.0 10.00 0.02 1.31) = 0.305% QG2 THR 106 - QD2 LEU 74 8.333% * 0.0317% (0.38 1.0 1.00 0.02 0.02) = 0.032% QG2 THR 106 - QD2 LEU 43 8.333% * 0.0192% (0.23 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 59 - QD2 LEU 74 8.333% * 0.0134% (0.16 1.0 1.00 0.02 1.53) = 0.013% HB3 ARG+ 22 - QD2 LEU 74 8.333% * 0.0093% (0.11 1.0 1.00 0.02 0.02) = 0.009% HG3 PRO 59 - QD2 LEU 43 8.333% * 0.0081% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 ARG+ 22 - QD2 LEU 43 8.333% * 0.0056% (0.07 1.0 1.00 0.02 0.14) = 0.006% Peak 2682 (0.91, 1.62, 25.80 ppm): 13 chemical-shift based assignments, quality = 0.512, support = 1.2, residual support = 3.06: QG2 VAL 80 - HG LEU 43 7.692% * 26.1554% (0.65 1.52 4.17) = 26.155% kept QD1 LEU 67 - HG LEU 43 7.692% * 20.7103% (0.55 1.41 3.85) = 20.710% kept * QG2 VAL 40 - HG LEU 43 7.692% * 13.7042% (0.44 1.18 4.76) = 13.704% kept QG1 VAL 47 - HG LEU 43 7.692% * 12.1915% (0.50 0.93 0.53) = 12.192% kept QG1 VAL 80 - HG LEU 43 7.692% * 9.4219% (0.20 1.77 4.17) = 9.422% kept HG3 LYS+ 110 - HG LEU 43 7.692% * 8.6778% (0.58 0.57 0.11) = 8.678% kept HG3 LYS+ 117 - HG LEU 43 7.692% * 3.7387% (0.61 0.23 0.02) = 3.739% kept HG12 ILE 68 - HG LEU 43 7.692% * 2.4371% (0.53 0.18 0.61) = 2.437% kept QG2 VAL 62 - HG LEU 43 7.692% * 1.2147% (0.10 0.47 3.21) = 1.215% kept QG2 VAL 105 - HG LEU 43 7.692% * 0.7241% (0.33 0.08 0.02) = 0.724% QG1 VAL 105 - HG LEU 43 7.692% * 0.6341% (0.27 0.09 0.02) = 0.634% QG2 VAL 87 - HG LEU 43 7.692% * 0.2326% (0.44 0.02 0.02) = 0.233% QD1 LEU 17 - HG LEU 43 7.692% * 0.1577% (0.30 0.02 0.02) = 0.158% Peak 2683 (0.89, 0.48, 25.57 ppm): 18 chemical-shift based assignments, quality = 0.44, support = 2.52, residual support = 7.33: * QD1 LEU 67 - QD2 LEU 74 5.556% * 24.5489% (0.41 4.76 17.09) = 24.549% kept QD1 LEU 67 - QD2 LEU 43 5.556% * 16.2282% (0.40 3.17 3.85) = 16.228% kept QG2 VAL 40 - QD2 LEU 74 5.556% * 13.9768% (0.50 2.23 11.48) = 13.977% kept QG1 VAL 80 - QD2 LEU 43 5.556% * 9.0149% (0.59 1.21 4.17) = 9.015% kept QG2 VAL 40 - QD2 LEU 43 5.556% * 8.5386% (0.49 1.37 4.76) = 8.539% kept HG3 LYS+ 117 - QD2 LEU 74 5.556% * 7.8663% (0.36 1.73 1.02) = 7.866% kept QG1 VAL 47 - QD2 LEU 74 5.556% * 6.2301% (0.45 1.09 0.36) = 6.230% kept QG2 VAL 125 - QD2 LEU 43 5.556% * 5.9570% (0.49 0.96 0.14) = 5.957% kept QG1 VAL 47 - QD2 LEU 43 5.556% * 3.1008% (0.45 0.54 0.53) = 3.101% kept HG3 LYS+ 117 - QD2 LEU 43 5.556% * 2.9005% (0.36 0.64 0.02) = 2.901% kept QG1 VAL 80 - QD2 LEU 74 5.556% * 0.7374% (0.59 0.10 0.02) = 0.737% QG2 VAL 125 - QD2 LEU 74 5.556% * 0.5096% (0.50 0.08 0.02) = 0.510% QG2 VAL 87 - QD2 LEU 74 5.556% * 0.1254% (0.50 0.02 0.02) = 0.125% QG2 VAL 87 - QD2 LEU 43 5.556% * 0.1244% (0.49 0.02 0.02) = 0.124% QG2 ILE 100 - QD2 LEU 74 5.556% * 0.0374% (0.15 0.02 0.02) = 0.037% QG2 ILE 100 - QD2 LEU 43 5.556% * 0.0371% (0.15 0.02 0.02) = 0.037% QD1 LEU 90 - QD2 LEU 74 5.556% * 0.0334% (0.13 0.02 0.11) = 0.033% QD1 LEU 90 - QD2 LEU 43 5.556% * 0.0332% (0.13 0.02 0.02) = 0.033% Peak 2687 (0.48, 1.62, 25.63 ppm): 2 chemical-shift based assignments, quality = 0.86, support = 4.53, residual support = 155.8: * O T QD2 LEU 43 - HG LEU 43 50.000% * 86.5547% (0.94 10.0 10.00 5.10 179.85) = 86.555% kept T QD2 LEU 74 - HG LEU 43 50.000% * 13.4453% (0.33 1.0 10.00 0.88 1.31) = 13.445% kept Peak 2688 (0.47, 0.46, 25.58 ppm): 2 diagonal assignments: * QD2 LEU 74 - QD2 LEU 74 (0.77) kept QD2 LEU 43 - QD2 LEU 43 (0.34) kept Peak 2691 (-0.06, 0.47, 25.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2692 (-0.11, 1.62, 25.65 ppm): 1 chemical-shift based assignment, quality = 0.975, support = 5.6, residual support = 179.8: * O T QD1 LEU 43 - HG LEU 43 100.000% *100.0000% (0.98 10.0 10.00 5.60 179.85) = 100.000% kept Peak 2693 (8.60, 0.89, 25.32 ppm): 12 chemical-shift based assignments, quality = 0.442, support = 0.554, residual support = 0.381: HN THR 39 - HG3 LYS+ 117 8.333% * 43.9928% (0.52 0.70 0.62) = 43.993% kept HN VAL 80 - HG3 LYS+ 117 8.333% * 25.2481% (0.49 0.42 0.02) = 25.248% kept HN VAL 73 - HG3 LYS+ 117 8.333% * 18.1673% (0.37 0.41 0.13) = 18.167% kept HN LYS+ 20 - QD1 LEU 17 8.333% * 6.0251% (0.06 0.88 1.08) = 6.025% kept HN THR 39 - QD1 LEU 90 8.333% * 2.5862% (0.07 0.32 0.55) = 2.586% kept HN LYS+ 20 - HG3 LYS+ 117 8.333% * 1.8032% (0.75 0.02 0.02) = 1.803% kept HN VAL 80 - QD1 LEU 17 8.333% * 1.5238% (0.04 0.34 0.02) = 1.524% kept HN LYS+ 20 - QD1 LEU 90 8.333% * 0.2274% (0.09 0.02 0.02) = 0.227% HN VAL 80 - QD1 LEU 90 8.333% * 0.1501% (0.06 0.02 0.02) = 0.150% HN VAL 73 - QD1 LEU 90 8.333% * 0.1129% (0.05 0.02 0.02) = 0.113% HN THR 39 - QD1 LEU 17 8.333% * 0.0955% (0.04 0.02 0.02) = 0.095% HN VAL 73 - QD1 LEU 17 8.333% * 0.0677% (0.03 0.02 0.02) = 0.068% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2694 (7.84, 1.40, 25.25 ppm): 3 chemical-shift based assignments, quality = 0.0715, support = 0.987, residual support = 1.24: HN LYS+ 63 - HG3 LYS+ 113 33.333% * 95.7566% (0.07 1.03 1.30) = 95.757% kept HN THR 38 - HG3 LYS+ 113 33.333% * 3.6023% (0.03 0.08 0.02) = 3.602% kept HD22 ASN 89 - HG3 LYS+ 113 33.333% * 0.6411% (0.03 0.02 0.02) = 0.641% Reference assignment not found: HN LYS+ 55 - HG3 LYS+ 55 Not enough quality. Peak unassigned. Peak 2695 (4.04, 0.90, 25.23 ppm): 18 chemical-shift based assignments, quality = 0.491, support = 0.451, residual support = 0.275: T HB3 SER 85 - HG3 LYS+ 117 5.556% * 35.9125% (0.83 10.00 0.33 0.02) = 35.912% kept T HB THR 38 - HG3 LYS+ 117 5.556% * 33.0212% (0.40 10.00 0.62 0.40) = 33.021% kept T HB2 SER 49 - HG3 LYS+ 117 5.556% * 16.4808% (0.22 10.00 0.56 0.55) = 16.481% kept T HB3 SER 49 - HG3 LYS+ 117 5.556% * 8.1947% (0.24 10.00 0.26 0.55) = 8.195% kept T HB3 SER 85 - QD1 LEU 17 5.556% * 4.0836% (0.10 10.00 0.32 0.02) = 4.084% kept HA VAL 13 - HG3 LYS+ 117 5.556% * 0.9777% (0.34 1.00 0.22 0.02) = 0.978% T HA VAL 125 - HG3 LYS+ 117 5.556% * 0.7290% (0.28 10.00 0.02 0.02) = 0.729% T HA VAL 13 - QD1 LEU 90 5.556% * 0.1524% (0.06 10.00 0.02 0.02) = 0.152% T HB THR 38 - QD1 LEU 17 5.556% * 0.1230% (0.05 10.00 0.02 0.02) = 0.123% T HA VAL 125 - QD1 LEU 17 5.556% * 0.0847% (0.03 10.00 0.02 0.02) = 0.085% T HB3 SER 49 - QD1 LEU 17 5.556% * 0.0727% (0.03 10.00 0.02 0.02) = 0.073% T HB2 SER 49 - QD1 LEU 17 5.556% * 0.0684% (0.03 10.00 0.02 0.02) = 0.068% HB3 SER 85 - QD1 LEU 90 5.556% * 0.0375% (0.14 1.00 0.02 0.02) = 0.037% HB THR 38 - QD1 LEU 90 5.556% * 0.0182% (0.07 1.00 0.02 0.02) = 0.018% HA VAL 125 - QD1 LEU 90 5.556% * 0.0125% (0.05 1.00 0.02 0.02) = 0.013% HB3 SER 49 - QD1 LEU 90 5.556% * 0.0108% (0.04 1.00 0.02 0.02) = 0.011% HA VAL 13 - QD1 LEU 17 5.556% * 0.0103% (0.04 1.00 0.02 0.02) = 0.010% HB2 SER 49 - QD1 LEU 90 5.556% * 0.0101% (0.04 1.00 0.02 0.02) = 0.010% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2698 (2.27, 0.90, 25.33 ppm): 36 chemical-shift based assignments, quality = 0.733, support = 0.839, residual support = 1.18: O HB3 LYS+ 117 - HG3 LYS+ 117 2.778% * 54.9575% (0.74 10.0 1.00 1.00 2.12) = 54.958% kept T HB VAL 80 - HG3 LYS+ 117 2.778% * 39.0350% (0.75 1.0 10.00 0.70 0.02) = 39.035% kept HG3 GLU- 75 - HG3 LYS+ 117 2.778% * 2.7847% (0.74 1.0 1.00 0.51 0.02) = 2.785% kept T HG2 PRO 112 - HG3 LYS+ 117 2.778% * 1.0785% (0.73 1.0 10.00 0.02 0.02) = 1.078% kept T HB3 PRO 112 - HG3 LYS+ 117 2.778% * 1.0289% (0.69 1.0 10.00 0.02 0.02) = 1.029% kept HB2 LYS+ 44 - HG3 LYS+ 117 2.778% * 0.4702% (0.39 1.0 1.00 0.16 0.02) = 0.470% HG3 GLU- 54 - HG3 LYS+ 117 2.778% * 0.0926% (0.62 1.0 1.00 0.02 0.02) = 0.093% HG3 GLU- 107 - HG3 LYS+ 117 2.778% * 0.0848% (0.57 1.0 1.00 0.02 0.02) = 0.085% T HB VAL 80 - QD1 LEU 17 2.778% * 0.0843% (0.06 1.0 10.00 0.02 0.02) = 0.084% T HG2 PRO 112 - QD1 LEU 17 2.778% * 0.0819% (0.06 1.0 10.00 0.02 0.02) = 0.082% T HB3 PRO 112 - QD1 LEU 17 2.778% * 0.0782% (0.05 1.0 10.00 0.02 0.02) = 0.078% HB3 ASN 15 - HG3 LYS+ 117 2.778% * 0.0342% (0.23 1.0 1.00 0.02 0.02) = 0.034% HG3 GLU- 10 - HG3 LYS+ 117 2.778% * 0.0219% (0.15 1.0 1.00 0.02 0.02) = 0.022% HG3 GLN 16 - HG3 LYS+ 117 2.778% * 0.0194% (0.13 1.0 1.00 0.02 0.02) = 0.019% HB3 GLU- 45 - HG3 LYS+ 117 2.778% * 0.0150% (0.10 1.0 1.00 0.02 0.02) = 0.015% HB VAL 80 - QD1 LEU 90 2.778% * 0.0117% (0.08 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 117 - QD1 LEU 90 2.778% * 0.0116% (0.08 1.0 1.00 0.02 0.02) = 0.012% HG3 GLU- 75 - QD1 LEU 90 2.778% * 0.0116% (0.08 1.0 1.00 0.02 0.39) = 0.012% HG2 PRO 112 - QD1 LEU 90 2.778% * 0.0114% (0.08 1.0 1.00 0.02 0.02) = 0.011% HB3 PRO 112 - QD1 LEU 90 2.778% * 0.0108% (0.07 1.0 1.00 0.02 0.02) = 0.011% HG3 GLU- 54 - QD1 LEU 90 2.778% * 0.0098% (0.07 1.0 1.00 0.02 0.02) = 0.010% HG3 GLU- 107 - QD1 LEU 90 2.778% * 0.0089% (0.06 1.0 1.00 0.02 0.02) = 0.009% HG3 GLU- 75 - QD1 LEU 17 2.778% * 0.0084% (0.06 1.0 1.00 0.02 0.20) = 0.008% HB3 LYS+ 117 - QD1 LEU 17 2.778% * 0.0084% (0.06 1.0 1.00 0.02 0.02) = 0.008% HG3 GLU- 54 - QD1 LEU 17 2.778% * 0.0070% (0.05 1.0 1.00 0.02 0.02) = 0.007% HG3 GLU- 107 - QD1 LEU 17 2.778% * 0.0064% (0.04 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 44 - QD1 LEU 90 2.778% * 0.0061% (0.04 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 44 - QD1 LEU 17 2.778% * 0.0044% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 ASN 15 - QD1 LEU 90 2.778% * 0.0036% (0.02 1.0 1.00 0.02 0.22) = 0.004% HB3 ASN 15 - QD1 LEU 17 2.778% * 0.0026% (0.02 1.0 1.00 0.02 0.02) = 0.003% HG3 GLU- 10 - QD1 LEU 90 2.778% * 0.0023% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG3 GLN 16 - QD1 LEU 90 2.778% * 0.0020% (0.01 1.0 1.00 0.02 0.02) = 0.002% HG3 GLU- 10 - QD1 LEU 17 2.778% * 0.0017% (0.01 1.0 1.00 0.02 0.02) = 0.002% HB3 GLU- 45 - QD1 LEU 90 2.778% * 0.0016% (0.01 1.0 1.00 0.02 0.02) = 0.002% HG3 GLN 16 - QD1 LEU 17 2.778% * 0.0015% (0.01 1.0 1.00 0.02 18.76) = 0.001% HB3 GLU- 45 - QD1 LEU 17 2.778% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 2699 (1.95, 1.94, 25.25 ppm): 1 diagonal assignment: * HG3 PRO 31 - HG3 PRO 31 (0.86) kept Peak 2700 (1.95, 1.77, 25.39 ppm): 28 chemical-shift based assignments, quality = 0.623, support = 2.63, residual support = 30.4: * O T HG3 PRO 31 - HG2 PRO 31 3.571% * 86.8414% (0.66 10.0 10.00 3.00 34.96) = 86.841% kept HG3 PRO 116 - HG3 LYS+ 63 3.571% * 2.7113% (0.77 1.0 1.00 0.53 0.25) = 2.711% kept HG3 PRO 116 - HG2 PRO 31 3.571% * 2.4602% (0.74 1.0 1.00 0.51 0.02) = 2.460% kept T HB2 PRO 35 - HG3 LYS+ 63 3.571% * 1.0141% (0.77 1.0 10.00 0.02 0.02) = 1.014% kept T HB2 PRO 35 - HG2 PRO 31 3.571% * 0.9662% (0.74 1.0 10.00 0.02 0.02) = 0.966% T HG3 PRO 31 - HG3 LYS+ 63 3.571% * 0.9115% (0.70 1.0 10.00 0.02 0.02) = 0.912% T HB3 LYS+ 55 - HG3 LYS+ 63 3.571% * 0.8816% (0.67 1.0 10.00 0.02 0.72) = 0.882% T HB3 LYS+ 55 - HG2 PRO 31 3.571% * 0.8399% (0.64 1.0 10.00 0.02 0.02) = 0.840% T HB2 GLU- 75 - HG3 LYS+ 63 3.571% * 0.6982% (0.53 1.0 10.00 0.02 0.02) = 0.698% T HB2 GLU- 75 - HG2 PRO 31 3.571% * 0.6651% (0.51 1.0 10.00 0.02 0.02) = 0.665% T HB2 PRO 116 - HG3 LYS+ 63 3.571% * 0.3815% (0.29 1.0 10.00 0.02 0.25) = 0.381% T HB2 PRO 116 - HG2 PRO 31 3.571% * 0.3634% (0.28 1.0 10.00 0.02 0.02) = 0.363% T HB2 PRO 86 - HG3 LYS+ 63 3.571% * 0.2263% (0.17 1.0 10.00 0.02 0.02) = 0.226% T HB2 PRO 86 - HG2 PRO 31 3.571% * 0.2156% (0.16 1.0 10.00 0.02 0.02) = 0.216% HB VAL 13 - HG3 LYS+ 63 3.571% * 0.1007% (0.77 1.0 1.00 0.02 0.02) = 0.101% HB3 GLU- 109 - HG3 LYS+ 63 3.571% * 0.0961% (0.73 1.0 1.00 0.02 0.02) = 0.096% HB VAL 13 - HG2 PRO 31 3.571% * 0.0960% (0.73 1.0 1.00 0.02 0.02) = 0.096% HB3 GLU- 109 - HG2 PRO 31 3.571% * 0.0916% (0.70 1.0 1.00 0.02 0.02) = 0.092% HB VAL 73 - HG3 LYS+ 63 3.571% * 0.0575% (0.44 1.0 1.00 0.02 0.02) = 0.058% HB VAL 73 - HG2 PRO 31 3.571% * 0.0548% (0.42 1.0 1.00 0.02 0.02) = 0.055% HG3 PRO 104 - HG3 LYS+ 63 3.571% * 0.0495% (0.38 1.0 1.00 0.02 0.02) = 0.049% HG3 PRO 104 - HG2 PRO 31 3.571% * 0.0471% (0.36 1.0 1.00 0.02 0.02) = 0.047% HG2 PRO 112 - HG3 LYS+ 63 3.571% * 0.0416% (0.32 1.0 1.00 0.02 0.02) = 0.042% HG2 PRO 112 - HG2 PRO 31 3.571% * 0.0396% (0.30 1.0 1.00 0.02 0.02) = 0.040% HB2 GLU- 10 - HG3 LYS+ 63 3.571% * 0.0381% (0.29 1.0 1.00 0.02 0.02) = 0.038% HB3 GLU- 56 - HG3 LYS+ 63 3.571% * 0.0381% (0.29 1.0 1.00 0.02 0.36) = 0.038% HB2 GLU- 10 - HG2 PRO 31 3.571% * 0.0363% (0.28 1.0 1.00 0.02 0.02) = 0.036% HB3 GLU- 56 - HG2 PRO 31 3.571% * 0.0363% (0.28 1.0 1.00 0.02 0.02) = 0.036% Peak 2701 (1.78, 1.77, 25.44 ppm): 2 diagonal assignments: * HG3 LYS+ 63 - HG3 LYS+ 63 (0.61) kept HG2 PRO 31 - HG2 PRO 31 (0.54) kept Peak 2702 (1.72, 0.82, 25.52 ppm): 8 chemical-shift based assignments, quality = 0.57, support = 2.57, residual support = 15.9: HB2 GLN 16 - QD2 LEU 17 12.500% * 83.0020% (0.68 1.0 2.90 18.76) = 83.002% kept O HB2 LYS+ 117 - HG2 LYS+ 117 12.500% * 16.2681% (0.04 10.0 1.00 2.12) = 16.268% kept HB ILE 48 - QD2 LEU 17 12.500% * 0.2194% (0.26 1.0 0.02 0.02) = 0.219% HB3 LEU 23 - QD2 LEU 17 12.500% * 0.1458% (0.17 1.0 0.02 0.13) = 0.146% HB2 GLN 16 - HG2 LYS+ 117 12.500% * 0.1432% (0.17 1.0 0.02 0.02) = 0.143% HB2 LYS+ 117 - QD2 LEU 17 12.500% * 0.1301% (0.15 1.0 0.02 0.02) = 0.130% HB ILE 48 - HG2 LYS+ 117 12.500% * 0.0548% (0.07 1.0 0.02 0.02) = 0.055% HB3 LEU 23 - HG2 LYS+ 117 12.500% * 0.0364% (0.04 1.0 0.02 0.02) = 0.036% Peak 2705 (0.73, 3.44, 66.58 ppm): 18 chemical-shift based assignments, quality = 0.576, support = 3.43, residual support = 35.7: * O QG1 VAL 40 - HA VAL 40 5.556% * 81.1483% (0.58 10.0 3.95 43.10) = 81.148% kept QG2 ILE 48 - HA VAL 62 5.556% * 6.4383% (0.57 1.0 1.63 9.49) = 6.438% kept HG3 LYS+ 44 - HA VAL 62 5.556% * 5.7993% (0.71 1.0 1.17 1.08) = 5.799% kept HG3 LYS+ 44 - HA VAL 40 5.556% * 3.4745% (0.49 1.0 1.02 0.30) = 3.475% kept QG2 ILE 101 - HA VAL 62 5.556% * 1.7503% (0.45 1.0 0.56 0.77) = 1.750% kept QG2 ILE 48 - HA VAL 40 5.556% * 0.4660% (0.39 1.0 0.17 0.02) = 0.466% QD1 ILE 68 - HA VAL 62 5.556% * 0.1191% (0.86 1.0 0.02 0.02) = 0.119% QG1 VAL 40 - HA VAL 62 5.556% * 0.1188% (0.85 1.0 0.02 0.02) = 0.119% QG2 VAL 65 - HA VAL 62 5.556% * 0.1180% (0.85 1.0 0.02 0.02) = 0.118% HG3 LYS+ 66 - HA VAL 62 5.556% * 0.0995% (0.71 1.0 0.02 0.02) = 0.099% HG LEU 74 - HA VAL 62 5.556% * 0.0865% (0.62 1.0 0.02 0.02) = 0.086% QD1 ILE 68 - HA VAL 40 5.556% * 0.0813% (0.58 1.0 0.02 0.02) = 0.081% QG2 VAL 65 - HA VAL 40 5.556% * 0.0806% (0.58 1.0 0.02 0.02) = 0.081% HG3 LYS+ 66 - HA VAL 40 5.556% * 0.0679% (0.49 1.0 0.02 0.02) = 0.068% HG LEU 74 - HA VAL 40 5.556% * 0.0591% (0.42 1.0 0.02 11.48) = 0.059% QG2 ILE 101 - HA VAL 40 5.556% * 0.0426% (0.31 1.0 0.02 0.59) = 0.043% QG2 THR 96 - HA VAL 62 5.556% * 0.0297% (0.21 1.0 0.02 0.02) = 0.030% QG2 THR 96 - HA VAL 40 5.556% * 0.0203% (0.15 1.0 0.02 0.02) = 0.020% Peak 2706 (0.69, 1.77, 25.28 ppm): 18 chemical-shift based assignments, quality = 0.547, support = 0.454, residual support = 3.1: QG1 VAL 65 - HG3 LYS+ 63 5.556% * 28.0629% (0.50 0.90 0.02) = 28.063% kept QG2 VAL 94 - HG3 LYS+ 63 5.556% * 17.9158% (0.77 0.37 0.45) = 17.916% kept QG1 VAL 62 - HG3 LYS+ 63 5.556% * 14.8623% (0.50 0.47 20.03) = 14.862% kept QG2 ILE 48 - HG3 LYS+ 63 5.556% * 12.7930% (0.77 0.26 0.02) = 12.793% kept QG2 ILE 101 - HG2 PRO 31 5.556% * 9.6997% (0.64 0.24 0.35) = 9.700% kept QG2 ILE 101 - HG3 LYS+ 63 5.556% * 3.7736% (0.64 0.09 0.02) = 3.774% kept QG2 THR 96 - HG3 LYS+ 63 5.556% * 3.4977% (0.34 0.16 0.02) = 3.498% kept QG2 ILE 68 - HG3 LYS+ 63 5.556% * 0.9687% (0.77 0.02 0.02) = 0.969% HG12 ILE 19 - HG3 LYS+ 63 5.556% * 0.9665% (0.76 0.02 0.02) = 0.967% QG2 ILE 68 - HG2 PRO 31 5.556% * 0.9658% (0.76 0.02 0.02) = 0.966% * QG2 VAL 94 - HG2 PRO 31 5.556% * 0.9658% (0.76 0.02 0.02) = 0.966% QG2 ILE 48 - HG2 PRO 31 5.556% * 0.9642% (0.76 0.02 0.02) = 0.964% HG12 ILE 19 - HG2 PRO 31 5.556% * 0.9637% (0.76 0.02 0.02) = 0.964% QD1 ILE 19 - HG3 LYS+ 63 5.556% * 0.9601% (0.76 0.02 0.02) = 0.960% QD1 ILE 19 - HG2 PRO 31 5.556% * 0.9573% (0.76 0.02 0.02) = 0.957% QG1 VAL 65 - HG2 PRO 31 5.556% * 0.6248% (0.49 0.02 0.02) = 0.625% QG1 VAL 62 - HG2 PRO 31 5.556% * 0.6248% (0.49 0.02 0.02) = 0.625% QG2 THR 96 - HG2 PRO 31 5.556% * 0.4330% (0.34 0.02 0.02) = 0.433% Reference assignment eliminated. Peak 2708 (8.96, 1.03, 24.99 ppm): 6 chemical-shift based assignments, quality = 0.755, support = 2.71, residual support = 20.9: HN ILE 19 - HG3 LYS+ 20 16.667% * 40.1056% (0.88 3.60 45.44) = 40.106% kept HN MET 97 - HG3 LYS+ 20 16.667% * 22.9742% (0.97 1.89 7.88) = 22.974% kept * HN PHE 21 - HG3 LYS+ 20 16.667% * 14.2157% (0.27 4.12 4.40) = 14.216% kept HN LEU 17 - HG3 LYS+ 20 16.667% * 10.6502% (0.85 0.99 1.08) = 10.650% kept HN ARG+ 22 - HG3 LYS+ 20 16.667% * 6.6265% (0.44 1.19 0.25) = 6.626% kept HN THR 96 - HG3 LYS+ 20 16.667% * 5.4279% (0.37 1.16 1.81) = 5.428% kept Peak 2709 (8.83, 1.45, 25.03 ppm): 6 chemical-shift based assignments, quality = 0.912, support = 4.26, residual support = 36.2: * HN LYS+ 60 - HG3 LYS+ 60 16.667% * 79.9246% (0.96 5.11 45.24) = 79.925% kept HN LYS+ 32 - HG3 LYS+ 60 16.667% * 13.2410% (0.84 0.97 0.16) = 13.241% kept HN ASN 57 - HG3 LYS+ 113 16.667% * 6.1735% (0.53 0.72 0.02) = 6.173% kept HN ASN 57 - HG3 LYS+ 60 16.667% * 0.2412% (0.74 0.02 0.02) = 0.241% HN LYS+ 60 - HG3 LYS+ 113 16.667% * 0.2238% (0.69 0.02 0.02) = 0.224% HN LYS+ 32 - HG3 LYS+ 113 16.667% * 0.1959% (0.60 0.02 0.02) = 0.196% Peak 2711 (8.32, 1.46, 24.97 ppm): 12 chemical-shift based assignments, quality = 0.795, support = 0.503, residual support = 0.0856: HN ASN 76 - HG3 LYS+ 60 8.333% * 33.1810% (0.95 0.67 0.15) = 33.181% kept HN GLY 114 - HG3 LYS+ 60 8.333% * 24.3849% (0.93 0.50 0.11) = 24.385% kept HN VAL 99 - HG3 LYS+ 60 8.333% * 17.5333% (0.79 0.42 0.02) = 17.533% kept HN GLU- 50 - HG3 LYS+ 60 8.333% * 13.3091% (0.58 0.44 0.02) = 13.309% kept HN GLY 114 - HG3 LYS+ 113 8.333% * 5.4782% (0.44 0.24 0.02) = 5.478% kept HN GLU- 50 - HG3 LYS+ 113 8.333% * 4.5689% (0.27 0.32 0.02) = 4.569% kept HN ASN 76 - HG3 LYS+ 113 8.333% * 0.4713% (0.45 0.02 0.02) = 0.471% HN VAL 99 - HG3 LYS+ 113 8.333% * 0.3937% (0.38 0.02 0.02) = 0.394% HN ALA 91 - HG3 LYS+ 60 8.333% * 0.3076% (0.29 0.02 0.02) = 0.308% HN GLU- 109 - HG3 LYS+ 60 8.333% * 0.1538% (0.15 0.02 0.02) = 0.154% HN ALA 91 - HG3 LYS+ 113 8.333% * 0.1455% (0.14 0.02 0.02) = 0.145% HN GLU- 109 - HG3 LYS+ 113 8.333% * 0.0727% (0.07 0.02 0.02) = 0.073% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2712 (4.79, 0.90, 24.99 ppm): 16 chemical-shift based assignments, quality = 0.19, support = 0.983, residual support = 5.06: HA GLU- 18 - QD1 LEU 17 6.250% * 13.9772% (0.05 2.77 33.06) = 13.977% kept HA ASN 15 - HG3 LYS+ 117 6.250% * 12.7744% (0.49 0.26 0.02) = 12.774% kept HA ASN 15 - QD1 LEU 17 6.250% * 12.5261% (0.22 0.55 0.02) = 12.526% kept HA ASN 15 - QD1 LEU 90 6.250% * 12.5184% (0.16 0.76 0.22) = 12.518% kept HB THR 39 - QG2 VAL 40 6.250% * 10.8080% (0.07 1.53 2.95) = 10.808% kept HA LEU 23 - QD1 LEU 90 6.250% * 10.7417% (0.10 1.03 0.15) = 10.742% kept HB THR 39 - HG3 LYS+ 117 6.250% * 8.9125% (0.09 0.92 0.62) = 8.912% kept HA ASN 15 - QG2 VAL 40 6.250% * 8.3873% (0.35 0.23 0.02) = 8.387% kept HA LEU 23 - HG3 LYS+ 117 6.250% * 5.1537% (0.31 0.16 0.02) = 5.154% kept HB THR 39 - QD1 LEU 90 6.250% * 1.7066% (0.03 0.53 0.55) = 1.707% kept HA GLU- 18 - QD1 LEU 90 6.250% * 1.2810% (0.04 0.35 0.02) = 1.281% kept HA LEU 23 - QG2 VAL 40 6.250% * 0.4557% (0.22 0.02 0.02) = 0.456% HA LEU 23 - QD1 LEU 17 6.250% * 0.2889% (0.14 0.02 0.13) = 0.289% HA GLU- 18 - HG3 LYS+ 117 6.250% * 0.2199% (0.11 0.02 0.02) = 0.220% HA GLU- 18 - QG2 VAL 40 6.250% * 0.1593% (0.08 0.02 0.02) = 0.159% HB THR 39 - QD1 LEU 17 6.250% * 0.0894% (0.04 0.02 0.02) = 0.089% Peak 2713 (4.52, 1.41, 25.08 ppm): 5 chemical-shift based assignments, quality = 0.349, support = 0.394, residual support = 0.762: HA LYS+ 55 - HG3 LYS+ 113 20.000% * 85.6907% (0.34 0.46 0.89) = 85.691% kept HB THR 46 - HG3 LYS+ 113 20.000% * 5.5535% (0.51 0.02 0.02) = 5.553% kept HA ALA 103 - HG3 LYS+ 113 20.000% * 4.7323% (0.43 0.02 0.02) = 4.732% kept HB THR 79 - HG3 LYS+ 113 20.000% * 2.1122% (0.19 0.02 0.02) = 2.112% kept HA LEU 17 - HG3 LYS+ 113 20.000% * 1.9112% (0.17 0.02 0.02) = 1.911% kept Peak 2714 (4.50, 1.28, 25.06 ppm): 14 chemical-shift based assignments, quality = 0.165, support = 3.09, residual support = 30.3: * O HA LYS+ 32 - HG2 LYS+ 32 7.143% * 79.2883% (0.14 10.0 3.75 37.97) = 79.288% kept HA LYS+ 55 - HG2 LYS+ 32 7.143% * 6.4237% (0.43 1.0 0.54 1.22) = 6.424% kept HB THR 79 - HG2 LYS+ 81 7.143% * 6.1169% (0.24 1.0 0.93 1.01) = 6.117% kept HB THR 46 - HG2 LYS+ 81 7.143% * 2.2495% (0.15 1.0 0.53 3.54) = 2.249% kept HA SER 77 - HG2 LYS+ 81 7.143% * 1.7603% (0.19 1.0 0.33 0.02) = 1.760% kept HA CYS 123 - HG2 LYS+ 81 7.143% * 1.7603% (0.19 1.0 0.33 0.02) = 1.760% kept HA LYS+ 32 - HG2 LYS+ 81 7.143% * 0.7941% (0.07 1.0 0.39 0.02) = 0.794% HA CYS 123 - HG2 LYS+ 32 7.143% * 0.7885% (0.37 1.0 0.08 0.02) = 0.789% HB THR 79 - HG2 LYS+ 32 7.143% * 0.2563% (0.46 1.0 0.02 0.02) = 0.256% HA SER 77 - HG2 LYS+ 32 7.143% * 0.2057% (0.37 1.0 0.02 0.02) = 0.206% HB THR 46 - HG2 LYS+ 32 7.143% * 0.1662% (0.30 1.0 0.02 0.02) = 0.166% HA LYS+ 55 - HG2 LYS+ 81 7.143% * 0.1221% (0.22 1.0 0.02 0.02) = 0.122% HA MET 126 - HG2 LYS+ 32 7.143% * 0.0450% (0.08 1.0 0.02 0.02) = 0.045% HA MET 126 - HG2 LYS+ 81 7.143% * 0.0232% (0.04 1.0 0.02 0.02) = 0.023% Peak 2715 (4.38, 1.45, 25.03 ppm): 26 chemical-shift based assignments, quality = 0.847, support = 3.82, residual support = 41.1: * O HA LYS+ 60 - HG3 LYS+ 60 3.846% * 87.7693% (0.89 10.0 1.00 4.05 45.24) = 87.769% kept HB THR 61 - HG3 LYS+ 60 3.846% * 9.2398% (0.67 1.0 1.00 2.83 15.13) = 9.240% kept T HA ALA 37 - HG3 LYS+ 60 3.846% * 0.9320% (0.95 1.0 10.00 0.02 0.02) = 0.932% T HA ALA 37 - HG3 LYS+ 113 3.846% * 0.6673% (0.68 1.0 10.00 0.02 0.02) = 0.667% HA TRP 51 - HG3 LYS+ 60 3.846% * 0.3717% (0.87 1.0 1.00 0.09 0.02) = 0.372% HA SER 27 - HG3 LYS+ 60 3.846% * 0.0942% (0.96 1.0 1.00 0.02 0.02) = 0.094% HA ALA 91 - HG3 LYS+ 60 3.846% * 0.0918% (0.94 1.0 1.00 0.02 0.02) = 0.092% HA SER 88 - HG3 LYS+ 60 3.846% * 0.0853% (0.87 1.0 1.00 0.02 0.02) = 0.085% HA SER 27 - HG3 LYS+ 113 3.846% * 0.0675% (0.69 1.0 1.00 0.02 0.02) = 0.067% HA ALA 91 - HG3 LYS+ 113 3.846% * 0.0657% (0.67 1.0 1.00 0.02 0.02) = 0.066% HA LYS+ 60 - HG3 LYS+ 113 3.846% * 0.0628% (0.64 1.0 1.00 0.02 0.02) = 0.063% HA TRP 51 - HG3 LYS+ 113 3.846% * 0.0611% (0.62 1.0 1.00 0.02 0.13) = 0.061% HA SER 88 - HG3 LYS+ 113 3.846% * 0.0611% (0.62 1.0 1.00 0.02 0.02) = 0.061% HA2 GLY 26 - HG3 LYS+ 60 3.846% * 0.0538% (0.55 1.0 1.00 0.02 0.02) = 0.054% HA ASN 57 - HG3 LYS+ 60 3.846% * 0.0500% (0.51 1.0 1.00 0.02 0.02) = 0.050% HB THR 61 - HG3 LYS+ 113 3.846% * 0.0468% (0.48 1.0 1.00 0.02 0.02) = 0.047% HA THR 95 - HG3 LYS+ 60 3.846% * 0.0463% (0.47 1.0 1.00 0.02 0.02) = 0.046% HA2 GLY 26 - HG3 LYS+ 113 3.846% * 0.0385% (0.39 1.0 1.00 0.02 0.02) = 0.039% HA ASN 57 - HG3 LYS+ 113 3.846% * 0.0358% (0.37 1.0 1.00 0.02 0.02) = 0.036% HA PRO 104 - HG3 LYS+ 60 3.846% * 0.0357% (0.36 1.0 1.00 0.02 0.02) = 0.036% HA THR 95 - HG3 LYS+ 113 3.846% * 0.0331% (0.34 1.0 1.00 0.02 0.02) = 0.033% HA PRO 104 - HG3 LYS+ 113 3.846% * 0.0256% (0.26 1.0 1.00 0.02 0.02) = 0.026% HA PRO 112 - HG3 LYS+ 60 3.846% * 0.0212% (0.22 1.0 1.00 0.02 0.02) = 0.021% HA PRO 116 - HG3 LYS+ 60 3.846% * 0.0167% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA PRO 112 - HG3 LYS+ 113 3.846% * 0.0152% (0.15 1.0 1.00 0.02 3.89) = 0.015% HA PRO 116 - HG3 LYS+ 113 3.846% * 0.0119% (0.12 1.0 1.00 0.02 0.02) = 0.012% Peak 2716 (4.36, 1.33, 25.04 ppm): 8 chemical-shift based assignments, quality = 0.0743, support = 0.428, residual support = 0.242: HA ALA 91 - HG3 LYS+ 81 12.500% * 41.1831% (0.04 1.00 0.93 0.52) = 41.183% kept HB THR 61 - HG3 LYS+ 81 12.500% * 17.6119% (0.13 1.00 0.13 0.02) = 17.612% kept T HA SER 27 - HG3 LYS+ 81 12.500% * 15.1473% (0.07 10.00 0.02 0.02) = 15.147% kept HA LYS+ 60 - HG3 LYS+ 81 12.500% * 13.1053% (0.10 1.00 0.13 0.13) = 13.105% kept T HA SER 88 - HG3 LYS+ 81 12.500% * 6.4098% (0.03 10.00 0.02 0.02) = 6.410% kept HA2 GLY 26 - HG3 LYS+ 81 12.500% * 2.8220% (0.14 1.00 0.02 0.02) = 2.822% kept HA TRP 51 - HG3 LYS+ 81 12.500% * 2.0906% (0.10 1.00 0.02 0.02) = 2.091% kept HA ALA 37 - HG3 LYS+ 81 12.500% * 1.6300% (0.08 1.00 0.02 0.02) = 1.630% kept Not enough quality. Peak unassigned. Peak 2717 (4.30, 0.91, 25.09 ppm): 39 chemical-shift based assignments, quality = 0.319, support = 0.665, residual support = 5.6: HA ILE 29 - QD1 LEU 17 2.564% * 32.6142% (0.35 1.37 17.08) = 32.614% kept HA ASP- 36 - QD1 LEU 17 2.564% * 16.1230% (0.47 0.49 0.02) = 16.123% kept HA CYS 121 - QD1 LEU 17 2.564% * 10.9164% (0.43 0.37 0.02) = 10.916% kept HB3 CYS 121 - QD1 LEU 17 2.564% * 9.0240% (0.36 0.36 0.02) = 9.024% kept HA ALA 93 - QD1 LEU 17 2.564% * 5.6149% (0.25 0.32 0.23) = 5.615% kept HA SER 85 - HG3 LYS+ 117 2.564% * 5.0513% (0.22 0.33 0.02) = 5.051% kept HA ARG+ 84 - HG3 LYS+ 117 2.564% * 4.2235% (0.22 0.28 0.02) = 4.223% kept HA ARG+ 84 - QG2 VAL 40 2.564% * 2.0905% (0.04 0.67 0.02) = 2.091% kept HA LEU 90 - QD1 LEU 17 2.564% * 1.9814% (0.27 0.11 0.17) = 1.981% kept HA PRO 52 - QG2 VAL 40 2.564% * 1.1912% (0.04 0.38 0.02) = 1.191% kept HA ASP- 36 - HG3 LYS+ 117 2.564% * 1.1006% (0.80 0.02 0.02) = 1.101% kept HA CYS 121 - HG3 LYS+ 117 2.564% * 0.9893% (0.72 0.02 0.02) = 0.989% HA THR 106 - HG3 LYS+ 117 2.564% * 0.9568% (0.69 0.02 0.02) = 0.957% HB3 CYS 121 - HG3 LYS+ 117 2.564% * 0.8430% (0.61 0.02 0.02) = 0.843% HA ILE 29 - HG3 LYS+ 117 2.564% * 0.8010% (0.58 0.02 0.02) = 0.801% HA LEU 90 - HG3 LYS+ 117 2.564% * 0.6245% (0.45 0.02 0.02) = 0.625% HA ALA 93 - HG3 LYS+ 117 2.564% * 0.5803% (0.42 0.02 0.02) = 0.580% HA THR 106 - QD1 LEU 17 2.564% * 0.5708% (0.41 0.02 0.02) = 0.571% HA VAL 122 - HG3 LYS+ 117 2.564% * 0.5369% (0.39 0.02 0.02) = 0.537% HA GLU- 56 - QG2 VAL 40 2.564% * 0.4431% (0.02 0.29 0.53) = 0.443% HA VAL 94 - QG2 VAL 40 2.564% * 0.4038% (0.05 0.12 0.02) = 0.404% HA VAL 94 - HG3 LYS+ 117 2.564% * 0.3405% (0.25 0.02 0.02) = 0.340% HA VAL 122 - QD1 LEU 17 2.564% * 0.3203% (0.23 0.02 0.02) = 0.320% HA PRO 52 - HG3 LYS+ 117 2.564% * 0.3067% (0.22 0.02 0.02) = 0.307% HA ASP- 36 - QG2 VAL 40 2.564% * 0.2224% (0.16 0.02 0.02) = 0.222% HA VAL 94 - QD1 LEU 17 2.564% * 0.2031% (0.15 0.02 7.18) = 0.203% HA CYS 121 - QG2 VAL 40 2.564% * 0.1999% (0.14 0.02 0.02) = 0.200% HA THR 106 - QG2 VAL 40 2.564% * 0.1933% (0.14 0.02 0.02) = 0.193% HA PRO 52 - QD1 LEU 17 2.564% * 0.1830% (0.13 0.02 2.64) = 0.183% HA SER 85 - QD1 LEU 17 2.564% * 0.1830% (0.13 0.02 0.02) = 0.183% HA ARG+ 84 - QD1 LEU 17 2.564% * 0.1830% (0.13 0.02 1.73) = 0.183% HB3 CYS 121 - QG2 VAL 40 2.564% * 0.1703% (0.12 0.02 0.02) = 0.170% HA ILE 29 - QG2 VAL 40 2.564% * 0.1619% (0.12 0.02 0.02) = 0.162% HA GLU- 56 - HG3 LYS+ 117 2.564% * 0.1493% (0.11 0.02 0.02) = 0.149% HA LEU 90 - QG2 VAL 40 2.564% * 0.1262% (0.09 0.02 0.02) = 0.126% HA ALA 93 - QG2 VAL 40 2.564% * 0.1173% (0.08 0.02 0.02) = 0.117% HA VAL 122 - QG2 VAL 40 2.564% * 0.1085% (0.08 0.02 0.02) = 0.108% HA GLU- 56 - QD1 LEU 17 2.564% * 0.0891% (0.06 0.02 0.02) = 0.089% HA SER 85 - QG2 VAL 40 2.564% * 0.0620% (0.04 0.02 0.02) = 0.062% Peak 2718 (4.27, 1.43, 25.01 ppm): 42 chemical-shift based assignments, quality = 0.497, support = 0.618, residual support = 1.96: HA PRO 59 - HG3 LYS+ 60 2.381% * 14.9142% (0.20 1.89 12.86) = 14.914% kept HA GLU- 56 - HG3 LYS+ 113 2.381% * 14.7127% (0.99 0.38 0.02) = 14.713% kept HA GLU- 75 - HG3 LYS+ 60 2.381% * 14.5114% (0.48 0.77 0.18) = 14.511% kept HA ALA 11 - HG3 LYS+ 113 2.381% * 11.3136% (0.64 0.44 0.02) = 11.314% kept HA GLU- 64 - HG3 LYS+ 113 2.381% * 6.5538% (0.99 0.17 0.02) = 6.554% kept HA ASN 76 - HG3 LYS+ 60 2.381% * 6.3592% (0.35 0.46 0.15) = 6.359% kept HA PRO 59 - HG3 LYS+ 113 2.381% * 5.5909% (0.41 0.35 0.02) = 5.591% kept HA GLU- 64 - HG3 LYS+ 60 2.381% * 5.3724% (0.48 0.28 0.02) = 5.372% kept HA GLU- 54 - HG3 LYS+ 113 2.381% * 5.1748% (0.20 0.66 0.02) = 5.175% kept HA PRO 52 - HG3 LYS+ 113 2.381% * 3.7786% (0.86 0.11 0.02) = 3.779% kept HB3 SER 49 - HG3 LYS+ 60 2.381% * 1.4336% (0.11 0.34 0.02) = 1.434% kept HA GLU- 75 - HG3 LYS+ 113 2.381% * 0.7709% (0.98 0.02 0.02) = 0.771% HA SER 85 - HG3 LYS+ 113 2.381% * 0.6822% (0.86 0.02 0.02) = 0.682% HA ARG+ 84 - HG3 LYS+ 113 2.381% * 0.6822% (0.86 0.02 0.02) = 0.682% HA VAL 94 - HG3 LYS+ 113 2.381% * 0.6569% (0.83 0.02 0.02) = 0.657% HA ASN 119 - HG3 LYS+ 113 2.381% * 0.6011% (0.76 0.02 0.02) = 0.601% HA GLU- 107 - HG3 LYS+ 113 2.381% * 0.6011% (0.76 0.02 0.02) = 0.601% HA ASN 76 - HG3 LYS+ 113 2.381% * 0.5711% (0.72 0.02 0.02) = 0.571% HA VAL 122 - HG3 LYS+ 113 2.381% * 0.5088% (0.64 0.02 0.02) = 0.509% HA LEU 90 - HG3 LYS+ 113 2.381% * 0.4453% (0.56 0.02 0.02) = 0.445% HA GLU- 56 - HG3 LYS+ 60 2.381% * 0.3798% (0.48 0.02 0.02) = 0.380% HA SER 85 - HG3 LYS+ 60 2.381% * 0.3324% (0.42 0.02 0.02) = 0.332% HA PRO 52 - HG3 LYS+ 60 2.381% * 0.3324% (0.42 0.02 0.02) = 0.332% HA ARG+ 84 - HG3 LYS+ 60 2.381% * 0.3324% (0.42 0.02 0.02) = 0.332% HA VAL 94 - HG3 LYS+ 60 2.381% * 0.3201% (0.40 0.02 0.02) = 0.320% HB3 CYS 121 - HG3 LYS+ 113 2.381% * 0.2952% (0.37 0.02 0.02) = 0.295% HA GLU- 107 - HG3 LYS+ 60 2.381% * 0.2928% (0.37 0.02 0.02) = 0.293% HA ASN 119 - HG3 LYS+ 60 2.381% * 0.2928% (0.37 0.02 0.02) = 0.293% HA ALA 11 - HG3 LYS+ 60 2.381% * 0.2479% (0.31 0.02 0.02) = 0.248% HA VAL 122 - HG3 LYS+ 60 2.381% * 0.2479% (0.31 0.02 0.02) = 0.248% HA THR 106 - HG3 LYS+ 113 2.381% * 0.2187% (0.28 0.02 0.02) = 0.219% HA LEU 90 - HG3 LYS+ 60 2.381% * 0.2169% (0.27 0.02 0.02) = 0.217% HA CYS 121 - HG3 LYS+ 113 2.381% * 0.1961% (0.25 0.02 0.02) = 0.196% HB3 SER 49 - HG3 LYS+ 113 2.381% * 0.1751% (0.22 0.02 0.02) = 0.175% HA GLU- 10 - HG3 LYS+ 113 2.381% * 0.1556% (0.20 0.02 0.02) = 0.156% HA LYS+ 108 - HG3 LYS+ 113 2.381% * 0.1556% (0.20 0.02 0.02) = 0.156% HB3 CYS 121 - HG3 LYS+ 60 2.381% * 0.1438% (0.18 0.02 0.02) = 0.144% HA THR 106 - HG3 LYS+ 60 2.381% * 0.1065% (0.13 0.02 0.02) = 0.107% HA CYS 121 - HG3 LYS+ 60 2.381% * 0.0955% (0.12 0.02 0.02) = 0.096% HA GLU- 10 - HG3 LYS+ 60 2.381% * 0.0758% (0.10 0.02 0.02) = 0.076% HA LYS+ 108 - HG3 LYS+ 60 2.381% * 0.0758% (0.10 0.02 0.02) = 0.076% HA GLU- 54 - HG3 LYS+ 60 2.381% * 0.0758% (0.10 0.02 0.02) = 0.076% Peak 2719 (3.44, 3.44, 66.51 ppm): 2 diagonal assignments: * HA VAL 62 - HA VAL 62 (0.95) kept HA VAL 40 - HA VAL 40 (0.28) kept Peak 2721 (2.96, 1.42, 25.07 ppm): 6 chemical-shift based assignments, quality = 0.191, support = 0.992, residual support = 1.84: O HE3 LYS+ 113 - HG3 LYS+ 113 16.667% * 99.1871% (0.19 10.0 1.00 1.85) = 99.187% kept HB2 PHE 21 - HG3 LYS+ 113 16.667% * 0.4186% (0.41 1.0 0.02 0.02) = 0.419% HE2 LYS+ 117 - HG3 LYS+ 113 16.667% * 0.1771% (0.17 1.0 0.02 0.02) = 0.177% HB2 PHE 21 - HG3 LYS+ 60 16.667% * 0.1145% (0.11 1.0 0.02 0.02) = 0.115% HE3 LYS+ 113 - HG3 LYS+ 60 16.667% * 0.0543% (0.05 1.0 0.02 0.02) = 0.054% HE2 LYS+ 117 - HG3 LYS+ 60 16.667% * 0.0485% (0.05 1.0 0.02 0.02) = 0.048% Not enough quality. Peak unassigned. Peak 2722 (2.92, 1.34, 25.00 ppm): 5 chemical-shift based assignments, quality = 0.158, support = 1.81, residual support = 32.3: * O HE3 LYS+ 81 - HG3 LYS+ 81 20.000% * 62.0061% (0.13 10.0 1.00 2.47 51.89) = 62.006% kept T HB2 HIS+ 98 - HG3 LYS+ 81 20.000% * 36.4285% (0.20 1.0 10.00 0.77 0.39) = 36.429% kept T HE3 LYS+ 60 - HG3 LYS+ 81 20.000% * 1.3800% (0.29 1.0 10.00 0.02 0.13) = 1.380% kept HB2 CYS 121 - HG3 LYS+ 81 20.000% * 0.1335% (0.28 1.0 1.00 0.02 0.02) = 0.133% HB3 ASN 57 - HG3 LYS+ 81 20.000% * 0.0519% (0.11 1.0 1.00 0.02 0.02) = 0.052% Peak 2723 (2.90, 1.29, 24.93 ppm): 10 chemical-shift based assignments, quality = 0.539, support = 1.83, residual support = 49.9: * O HE3 LYS+ 81 - HG2 LYS+ 81 10.000% * 96.0958% (0.55 10.0 1.90 51.89) = 96.096% kept HB3 ASN 57 - HG2 LYS+ 32 10.000% * 1.2502% (0.60 1.0 0.23 0.02) = 1.250% kept HB2 HIS+ 98 - HG2 LYS+ 81 10.000% * 1.2172% (0.49 1.0 0.27 0.39) = 1.217% kept HE3 LYS+ 60 - HG2 LYS+ 81 10.000% * 0.9541% (0.25 1.0 0.42 0.13) = 0.954% HE3 LYS+ 81 - HG2 LYS+ 32 10.000% * 0.1111% (0.60 1.0 0.02 0.02) = 0.111% HB3 ASN 57 - HG2 LYS+ 81 10.000% * 0.1013% (0.55 1.0 0.02 0.02) = 0.101% HB2 HIS+ 98 - HG2 LYS+ 32 10.000% * 0.0999% (0.54 1.0 0.02 0.02) = 0.100% HB2 CYS 121 - HG2 LYS+ 32 10.000% * 0.0631% (0.34 1.0 0.02 0.02) = 0.063% HB2 CYS 121 - HG2 LYS+ 81 10.000% * 0.0575% (0.31 1.0 0.02 0.02) = 0.057% HE3 LYS+ 60 - HG2 LYS+ 32 10.000% * 0.0499% (0.27 1.0 0.02 0.16) = 0.050% Peak 2727 (2.06, 3.43, 66.46 ppm): 24 chemical-shift based assignments, quality = 0.838, support = 2.16, residual support = 31.2: * O HB VAL 62 - HA VAL 62 4.167% * 96.2160% (0.85 10.0 2.21 32.46) = 96.216% kept HG2 PRO 112 - HA VAL 62 4.167% * 3.0943% (0.67 1.0 0.82 0.10) = 3.094% kept HB3 GLU- 75 - HA VAL 62 4.167% * 0.0884% (0.78 1.0 0.02 0.02) = 0.088% HB ILE 101 - HA VAL 62 4.167% * 0.0871% (0.77 1.0 0.02 0.77) = 0.087% HB2 GLU- 45 - HA VAL 62 4.167% * 0.0716% (0.63 1.0 0.02 0.50) = 0.072% HB3 LYS+ 120 - HA VAL 62 4.167% * 0.0674% (0.60 1.0 0.02 0.02) = 0.067% HG3 PRO 86 - HA VAL 62 4.167% * 0.0590% (0.52 1.0 0.02 0.02) = 0.059% HG2 GLN 16 - HA VAL 62 4.167% * 0.0507% (0.45 1.0 0.02 0.02) = 0.051% HD3 LYS+ 110 - HA VAL 62 4.167% * 0.0290% (0.26 1.0 0.02 0.02) = 0.029% HB VAL 62 - HA VAL 40 4.167% * 0.0240% (0.21 1.0 0.02 0.02) = 0.024% HB3 LYS+ 110 - HA VAL 62 4.167% * 0.0232% (0.20 1.0 0.02 0.02) = 0.023% HB2 LYS+ 110 - HA VAL 62 4.167% * 0.0232% (0.20 1.0 0.02 0.02) = 0.023% HB3 GLU- 75 - HA VAL 40 4.167% * 0.0220% (0.19 1.0 0.02 0.85) = 0.022% HB ILE 101 - HA VAL 40 4.167% * 0.0217% (0.19 1.0 0.02 0.59) = 0.022% HG2 PRO 112 - HA VAL 40 4.167% * 0.0189% (0.17 1.0 0.02 0.02) = 0.019% HB VAL 125 - HA VAL 62 4.167% * 0.0183% (0.16 1.0 0.02 0.02) = 0.018% HB2 GLU- 45 - HA VAL 40 4.167% * 0.0178% (0.16 1.0 0.02 0.02) = 0.018% HB3 LYS+ 120 - HA VAL 40 4.167% * 0.0168% (0.15 1.0 0.02 0.02) = 0.017% HG3 PRO 86 - HA VAL 40 4.167% * 0.0147% (0.13 1.0 0.02 0.02) = 0.015% HG2 GLN 16 - HA VAL 40 4.167% * 0.0126% (0.11 1.0 0.02 0.22) = 0.013% HD3 LYS+ 110 - HA VAL 40 4.167% * 0.0072% (0.06 1.0 0.02 0.02) = 0.007% HB3 LYS+ 110 - HA VAL 40 4.167% * 0.0058% (0.05 1.0 0.02 0.02) = 0.006% HB2 LYS+ 110 - HA VAL 40 4.167% * 0.0058% (0.05 1.0 0.02 0.02) = 0.006% HB VAL 125 - HA VAL 40 4.167% * 0.0045% (0.04 1.0 0.02 0.02) = 0.005% Peak 2739 (1.67, 1.43, 24.98 ppm): 18 chemical-shift based assignments, quality = 0.82, support = 0.355, residual support = 0.502: T HB3 MET 126 - HG3 LYS+ 113 5.556% * 70.2176% (0.93 10.00 0.44 0.64) = 70.218% kept T HG2 PRO 52 - HG3 LYS+ 113 5.556% * 10.5625% (0.56 10.00 0.11 0.02) = 10.563% kept HD3 LYS+ 55 - HG3 LYS+ 113 5.556% * 5.5735% (0.82 1.00 0.40 0.89) = 5.574% kept HB ILE 100 - HG3 LYS+ 60 5.556% * 2.8639% (0.47 1.00 0.36 0.02) = 2.864% kept T HB ILE 100 - HG3 LYS+ 113 5.556% * 2.6973% (0.79 10.00 0.02 0.02) = 2.697% kept T HG3 ARG+ 84 - HG3 LYS+ 113 5.556% * 1.9071% (0.56 10.00 0.02 0.02) = 1.907% kept T HB3 MET 126 - HG3 LYS+ 60 5.556% * 1.9060% (0.56 10.00 0.02 0.02) = 1.906% kept T HG3 ARG+ 84 - HG3 LYS+ 60 5.556% * 1.1407% (0.33 10.00 0.02 0.02) = 1.141% kept T HG2 PRO 52 - HG3 LYS+ 60 5.556% * 1.1407% (0.33 10.00 0.02 0.02) = 1.141% kept HB3 LYS+ 81 - HG3 LYS+ 113 5.556% * 0.3361% (0.98 1.00 0.02 0.02) = 0.336% HB3 MET 97 - HG3 LYS+ 113 5.556% * 0.3021% (0.88 1.00 0.02 0.02) = 0.302% HB3 LYS+ 66 - HG3 LYS+ 113 5.556% * 0.2574% (0.75 1.00 0.02 0.02) = 0.257% HG13 ILE 19 - HG3 LYS+ 113 5.556% * 0.2446% (0.71 1.00 0.02 0.02) = 0.245% HB3 LYS+ 81 - HG3 LYS+ 60 5.556% * 0.2010% (0.59 1.00 0.02 0.13) = 0.201% HB3 MET 97 - HG3 LYS+ 60 5.556% * 0.1807% (0.53 1.00 0.02 0.02) = 0.181% HD3 LYS+ 55 - HG3 LYS+ 60 5.556% * 0.1683% (0.49 1.00 0.02 0.02) = 0.168% HB3 LYS+ 66 - HG3 LYS+ 60 5.556% * 0.1540% (0.45 1.00 0.02 0.02) = 0.154% HG13 ILE 19 - HG3 LYS+ 60 5.556% * 0.1463% (0.43 1.00 0.02 0.42) = 0.146% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2763 (1.43, 1.43, 24.98 ppm): 2 diagonal assignments: * HG3 LYS+ 113 - HG3 LYS+ 113 (0.95) kept HG3 LYS+ 60 - HG3 LYS+ 60 (0.11) kept Peak 2776 (1.15, 1.46, 25.00 ppm): 14 chemical-shift based assignments, quality = 0.733, support = 1.04, residual support = 9.56: HG3 PRO 59 - HG3 LYS+ 60 7.143% * 73.3904% (0.86 1.32 12.86) = 73.390% kept HB2 LEU 74 - HG3 LYS+ 60 7.143% * 8.2373% (0.25 0.52 1.30) = 8.237% kept QB ALA 33 - HG3 LYS+ 60 7.143% * 5.5912% (0.88 0.10 0.02) = 5.591% kept HG3 PRO 59 - HG3 LYS+ 113 7.143% * 4.6155% (0.42 0.17 0.02) = 4.615% kept HG3 LYS+ 32 - HG3 LYS+ 60 7.143% * 4.4368% (0.37 0.18 0.16) = 4.437% kept HB2 LEU 43 - HG3 LYS+ 60 7.143% * 0.8269% (0.64 0.02 0.02) = 0.827% QG2 THR 106 - HG3 LYS+ 60 7.143% * 0.6725% (0.52 0.02 0.02) = 0.673% QB ALA 33 - HG3 LYS+ 113 7.143% * 0.5654% (0.44 0.02 0.02) = 0.565% HB2 LEU 43 - HG3 LYS+ 113 7.143% * 0.4078% (0.31 0.02 0.02) = 0.408% HD3 LYS+ 111 - HG3 LYS+ 60 7.143% * 0.3554% (0.27 0.02 0.02) = 0.355% QG2 THR 106 - HG3 LYS+ 113 7.143% * 0.3317% (0.26 0.02 0.02) = 0.332% HG3 LYS+ 32 - HG3 LYS+ 113 7.143% * 0.2366% (0.18 0.02 0.02) = 0.237% HD3 LYS+ 111 - HG3 LYS+ 113 7.143% * 0.1753% (0.14 0.02 0.02) = 0.175% HB2 LEU 74 - HG3 LYS+ 113 7.143% * 0.1572% (0.12 0.02 0.02) = 0.157% Peak 2783 (1.04, 1.03, 24.97 ppm): 1 diagonal assignment: * HG3 LYS+ 20 - HG3 LYS+ 20 (0.96) kept Peak 2798 (0.87, 0.86, 25.07 ppm): 2 diagonal assignments: * QD1 LEU 90 - QD1 LEU 90 (0.94) kept HG2 LYS+ 117 - HG2 LYS+ 117 (0.06) kept Peak 2813 (0.42, 3.44, 66.50 ppm): 4 chemical-shift based assignments, quality = 0.418, support = 2.66, residual support = 9.26: * T QD1 ILE 48 - HA VAL 62 25.000% * 53.0300% (0.42 10.00 3.59 9.49) = 53.030% kept T HG12 ILE 48 - HA VAL 62 25.000% * 44.5550% (0.42 10.00 1.68 9.49) = 44.555% kept T HG12 ILE 48 - HA VAL 40 25.000% * 2.2289% (0.15 10.00 0.24 0.02) = 2.229% kept T QD1 ILE 48 - HA VAL 40 25.000% * 0.1861% (0.15 10.00 0.02 0.02) = 0.186% Peak 2824 (8.51, 0.93, 24.65 ppm): 6 chemical-shift based assignments, quality = 0.0381, support = 3.58, residual support = 27.6: * HN GLU- 18 - QD1 LEU 17 16.667% * 83.5280% (0.03 4.25 33.06) = 83.528% kept HN GLU- 10 - QG2 VAL 40 16.667% * 6.6475% (0.12 0.09 0.02) = 6.647% kept HN LYS+ 113 - QD1 LEU 17 16.667% * 5.0667% (0.02 0.37 0.02) = 5.067% kept HN GLU- 18 - QG2 VAL 40 16.667% * 3.5169% (0.07 0.08 0.02) = 3.517% kept HN GLU- 10 - QD1 LEU 17 16.667% * 0.6630% (0.05 0.02 0.02) = 0.663% HN LYS+ 113 - QG2 VAL 40 16.667% * 0.5778% (0.05 0.02 0.02) = 0.578% Peak 2826 (4.59, 1.48, 24.80 ppm): 6 chemical-shift based assignments, quality = 0.216, support = 2.95, residual support = 25.7: * O HA LYS+ 72 - HG3 LYS+ 72 16.667% * 99.6918% (0.22 10.0 2.96 25.75) = 99.692% kept HA LYS+ 72 - HG3 LYS+ 60 16.667% * 0.0773% (0.17 1.0 0.02 0.02) = 0.077% HA ASP- 25 - HG3 LYS+ 72 16.667% * 0.0691% (0.15 1.0 0.02 0.02) = 0.069% HA LYS+ 78 - HG3 LYS+ 72 16.667% * 0.0610% (0.13 1.0 0.02 0.02) = 0.061% HA ASP- 25 - HG3 LYS+ 60 16.667% * 0.0536% (0.12 1.0 0.02 0.02) = 0.054% HA LYS+ 78 - HG3 LYS+ 60 16.667% * 0.0473% (0.10 1.0 0.02 0.02) = 0.047% Peak 2827 (4.54, 0.93, 24.69 ppm): 8 chemical-shift based assignments, quality = 0.194, support = 4.95, residual support = 84.0: * HA LEU 17 - QD1 LEU 17 12.500% * 95.0228% (0.20 5.19 88.43) = 95.023% kept HA LYS+ 78 - QG2 VAL 40 12.500% * 3.0765% (0.05 0.70 0.43) = 3.076% kept HA LEU 17 - QG2 VAL 40 12.500% * 0.4719% (0.26 0.02 0.02) = 0.472% HA ALA 103 - QG2 VAL 40 12.500% * 0.4474% (0.25 0.02 0.02) = 0.447% HB THR 46 - QD1 LEU 17 12.500% * 0.4422% (0.05 0.09 0.02) = 0.442% HA ALA 103 - QD1 LEU 17 12.500% * 0.3472% (0.19 0.02 0.02) = 0.347% HB THR 46 - QG2 VAL 40 12.500% * 0.1244% (0.07 0.02 0.02) = 0.124% HA LYS+ 78 - QD1 LEU 17 12.500% * 0.0678% (0.04 0.02 0.02) = 0.068% Peak 2828 (4.48, 1.13, 24.84 ppm): 9 chemical-shift based assignments, quality = 0.939, support = 3.2, residual support = 37.8: * O HA LYS+ 32 - HG3 LYS+ 32 11.111% * 99.5235% (0.94 10.0 3.22 37.97) = 99.524% kept HA MET 126 - HG3 LYS+ 32 11.111% * 0.0984% (0.93 1.0 0.02 0.02) = 0.098% HA ILE 100 - HG3 LYS+ 32 11.111% * 0.0871% (0.83 1.0 0.02 0.02) = 0.087% HA GLN 102 - HG3 LYS+ 32 11.111% * 0.0871% (0.83 1.0 0.02 1.27) = 0.087% HA CYS 123 - HG3 LYS+ 32 11.111% * 0.0609% (0.58 1.0 0.02 0.02) = 0.061% HA SER 77 - HG3 LYS+ 32 11.111% * 0.0609% (0.58 1.0 0.02 0.02) = 0.061% HA GLU- 50 - HG3 LYS+ 32 11.111% * 0.0343% (0.32 1.0 0.02 0.02) = 0.034% HB THR 79 - HG3 LYS+ 32 11.111% * 0.0279% (0.26 1.0 0.02 0.02) = 0.028% HA MET 118 - HG3 LYS+ 32 11.111% * 0.0199% (0.19 1.0 0.02 0.02) = 0.020% Peak 2829 (3.13, 1.50, 24.80 ppm): 5 chemical-shift based assignments, quality = 0.397, support = 1.19, residual support = 25.2: * O T HE3 LYS+ 72 - HG3 LYS+ 72 20.000% * 97.9698% (0.41 10.0 10.00 1.22 25.75) = 97.970% kept T HE3 LYS+ 108 - HG3 LYS+ 72 20.000% * 0.9689% (0.40 1.0 10.00 0.02 0.02) = 0.969% T HE3 LYS+ 117 - HG3 LYS+ 72 20.000% * 0.9689% (0.40 1.0 10.00 0.02 0.02) = 0.969% HB3 HIS+ 98 - HG3 LYS+ 72 20.000% * 0.0481% (0.20 1.0 1.00 0.02 0.02) = 0.048% HB3 ASP- 25 - HG3 LYS+ 72 20.000% * 0.0443% (0.18 1.0 1.00 0.02 0.02) = 0.044% Peak 2830 (2.81, 1.12, 24.83 ppm): 6 chemical-shift based assignments, quality = 0.868, support = 2.56, residual support = 37.1: * O HE3 LYS+ 32 - HG3 LYS+ 32 16.667% * 97.7524% (0.87 10.0 2.61 37.97) = 97.752% kept HA2 GLY 58 - HG3 LYS+ 32 16.667% * 1.9630% (0.85 1.0 0.41 0.02) = 1.963% kept HE3 LYS+ 111 - HG3 LYS+ 32 16.667% * 0.1033% (0.92 1.0 0.02 0.02) = 0.103% HB3 ASN 89 - HG3 LYS+ 32 16.667% * 0.0997% (0.89 1.0 0.02 0.02) = 0.100% HB3 ASN 119 - HG3 LYS+ 32 16.667% * 0.0585% (0.52 1.0 0.02 0.02) = 0.059% HB2 ASN 119 - HG3 LYS+ 32 16.667% * 0.0230% (0.21 1.0 0.02 0.02) = 0.023% Peak 2834 (1.57, 1.28, 24.86 ppm): 22 chemical-shift based assignments, quality = 0.523, support = 2.67, residual support = 44.3: O HD3 LYS+ 81 - HG2 LYS+ 81 4.545% * 48.0831% (0.65 10.0 1.00 1.90 51.89) = 48.083% kept * O T HB3 LYS+ 32 - HG2 LYS+ 32 4.545% * 38.9365% (0.50 10.0 10.00 3.42 37.97) = 38.936% kept O HD3 LYS+ 32 - HG2 LYS+ 32 4.545% * 11.9113% (0.15 10.0 1.00 3.56 37.97) = 11.911% kept T HB3 LYS+ 32 - HG2 LYS+ 81 4.545% * 0.3927% (0.50 1.0 10.00 0.02 0.02) = 0.393% HB ILE 19 - HG2 LYS+ 81 4.545% * 0.0586% (0.75 1.0 1.00 0.02 0.02) = 0.059% HB ILE 19 - HG2 LYS+ 32 4.545% * 0.0581% (0.74 1.0 1.00 0.02 0.49) = 0.058% HG LEU 17 - HG2 LYS+ 81 4.545% * 0.0574% (0.73 1.0 1.00 0.02 0.02) = 0.057% HG LEU 17 - HG2 LYS+ 32 4.545% * 0.0569% (0.73 1.0 1.00 0.02 0.59) = 0.057% HD3 LYS+ 60 - HG2 LYS+ 81 4.545% * 0.0544% (0.70 1.0 1.00 0.02 0.13) = 0.054% HD3 LYS+ 60 - HG2 LYS+ 32 4.545% * 0.0540% (0.69 1.0 1.00 0.02 0.16) = 0.054% HD3 LYS+ 81 - HG2 LYS+ 32 4.545% * 0.0503% (0.64 1.0 1.00 0.02 0.02) = 0.050% HG12 ILE 29 - HG2 LYS+ 81 4.545% * 0.0344% (0.44 1.0 1.00 0.02 0.02) = 0.034% QB ALA 42 - HG2 LYS+ 81 4.545% * 0.0344% (0.44 1.0 1.00 0.02 0.02) = 0.034% QB ALA 42 - HG2 LYS+ 32 4.545% * 0.0341% (0.44 1.0 1.00 0.02 0.02) = 0.034% HG12 ILE 29 - HG2 LYS+ 32 4.545% * 0.0341% (0.44 1.0 1.00 0.02 0.02) = 0.034% HB3 LEU 90 - HG2 LYS+ 81 4.545% * 0.0295% (0.38 1.0 1.00 0.02 0.02) = 0.030% HB3 LEU 90 - HG2 LYS+ 32 4.545% * 0.0293% (0.37 1.0 1.00 0.02 0.21) = 0.029% HG13 ILE 29 - HG2 LYS+ 81 4.545% * 0.0228% (0.29 1.0 1.00 0.02 0.02) = 0.023% HG13 ILE 29 - HG2 LYS+ 32 4.545% * 0.0226% (0.29 1.0 1.00 0.02 0.02) = 0.023% QG2 THR 24 - HG2 LYS+ 81 4.545% * 0.0169% (0.22 1.0 1.00 0.02 0.02) = 0.017% QG2 THR 24 - HG2 LYS+ 32 4.545% * 0.0167% (0.21 1.0 1.00 0.02 0.02) = 0.017% HD3 LYS+ 32 - HG2 LYS+ 81 4.545% * 0.0120% (0.15 1.0 1.00 0.02 0.02) = 0.012% Peak 2839 (1.27, 1.13, 24.80 ppm): 6 chemical-shift based assignments, quality = 0.969, support = 4.13, residual support = 36.7: * O HG2 LYS+ 32 - HG3 LYS+ 32 16.667% * 96.5211% (0.97 10.0 4.26 37.97) = 96.521% kept HG13 ILE 101 - HG3 LYS+ 32 16.667% * 1.8066% (0.83 1.0 0.44 1.04) = 1.807% kept HG2 LYS+ 81 - HG3 LYS+ 32 16.667% * 1.5205% (0.89 1.0 0.34 0.02) = 1.521% kept HB3 LEU 74 - HG3 LYS+ 32 16.667% * 0.0976% (0.98 1.0 0.02 0.57) = 0.098% HB2 LYS+ 55 - HG3 LYS+ 32 16.667% * 0.0370% (0.37 1.0 0.02 1.22) = 0.037% QB ALA 103 - HG3 LYS+ 32 16.667% * 0.0172% (0.17 1.0 0.02 0.02) = 0.017% Peak 2840 (1.13, 1.13, 24.80 ppm): 1 diagonal assignment: * HG3 LYS+ 32 - HG3 LYS+ 32 (0.96) kept Peak 2843 (8.73, 0.90, 24.44 ppm): 4 chemical-shift based assignments, quality = 0.235, support = 2.5, residual support = 23.0: * HN VAL 40 - QG2 VAL 40 25.000% * 52.8337% (0.16 3.92 43.10) = 52.834% kept HN GLU- 56 - QG2 VAL 40 25.000% * 29.8361% (0.33 1.05 0.53) = 29.836% kept HN ILE 101 - QG2 VAL 40 25.000% * 17.2292% (0.32 0.63 0.59) = 17.229% kept HN VAL 62 - QG2 VAL 40 25.000% * 0.1010% (0.06 0.02 0.02) = 0.101% Peak 2844 (6.75, 0.90, 24.46 ppm): 2 chemical-shift based assignments, quality = 0.372, support = 0.694, residual support = 1.46: T HZ3 TRP 51 - QG2 VAL 40 50.000% * 52.8428% (0.42 10.00 0.64 0.80) = 52.843% kept * T QE TYR 83 - QG2 VAL 40 50.000% * 47.1572% (0.32 10.00 0.75 2.19) = 47.157% kept Peak 2845 (3.45, 0.89, 24.48 ppm): 6 chemical-shift based assignments, quality = 0.453, support = 3.03, residual support = 41.6: * O HA VAL 40 - QG2 VAL 40 16.667% * 96.5783% (0.46 10.0 1.00 3.13 43.10) = 96.578% kept HA VAL 80 - QG2 VAL 40 16.667% * 2.6364% (0.45 1.0 1.00 0.56 0.12) = 2.636% kept T HA ILE 48 - QG2 VAL 40 16.667% * 0.5780% (0.27 1.0 10.00 0.02 0.02) = 0.578% HA VAL 62 - QG2 VAL 40 16.667% * 0.0916% (0.43 1.0 1.00 0.02 0.02) = 0.092% HD3 PRO 31 - QG2 VAL 40 16.667% * 0.0660% (0.31 1.0 1.00 0.02 0.02) = 0.066% HA1 GLY 71 - QG2 VAL 40 16.667% * 0.0497% (0.24 1.0 1.00 0.02 0.02) = 0.050% Peak 2846 (2.49, 0.90, 24.47 ppm): 6 chemical-shift based assignments, quality = 0.443, support = 3.39, residual support = 43.0: * O HB VAL 40 - QG2 VAL 40 16.667% * 99.7075% (0.44 10.0 3.40 43.10) = 99.708% kept HG3 MET 118 - QG2 VAL 40 16.667% * 0.0977% (0.44 1.0 0.02 0.02) = 0.098% HG3 PRO 35 - QG2 VAL 40 16.667% * 0.0977% (0.44 1.0 0.02 0.02) = 0.098% HG2 PRO 112 - QG2 VAL 40 16.667% * 0.0408% (0.18 1.0 0.02 0.02) = 0.041% HB3 PRO 59 - QG2 VAL 40 16.667% * 0.0340% (0.15 1.0 0.02 0.92) = 0.034% HG3 GLU- 45 - QG2 VAL 40 16.667% * 0.0222% (0.10 1.0 0.02 0.02) = 0.022% Peak 2847 (1.48, 3.43, 65.83 ppm): 9 chemical-shift based assignments, quality = 0.33, support = 4.77, residual support = 127.0: * O T HG13 ILE 48 - HA ILE 48 11.111% * 85.2519% (0.29 10.0 10.00 5.41 148.88) = 85.252% kept HB3 LYS+ 44 - HA ILE 48 11.111% * 10.7798% (0.58 1.0 1.00 1.28 0.51) = 10.780% kept HG3 PRO 52 - HA ILE 48 11.111% * 3.4800% (0.44 1.0 1.00 0.55 0.02) = 3.480% kept QB ALA 70 - HA ILE 48 11.111% * 0.1657% (0.57 1.0 1.00 0.02 0.02) = 0.166% HB3 LEU 67 - HA ILE 48 11.111% * 0.1402% (0.48 1.0 1.00 0.02 0.17) = 0.140% HG2 PRO 59 - HA ILE 48 11.111% * 0.0541% (0.19 1.0 1.00 0.02 0.02) = 0.054% HG3 LYS+ 60 - HA ILE 48 11.111% * 0.0541% (0.19 1.0 1.00 0.02 1.86) = 0.054% HD3 LYS+ 108 - HA ILE 48 11.111% * 0.0437% (0.15 1.0 1.00 0.02 0.02) = 0.044% HB2 LYS+ 72 - HA ILE 48 11.111% * 0.0307% (0.11 1.0 1.00 0.02 0.13) = 0.031% Peak 2851 (0.72, 3.43, 65.93 ppm): 10 chemical-shift based assignments, quality = 0.262, support = 5.89, residual support = 128.4: * O QG2 ILE 48 - HA ILE 48 10.000% * 86.1687% (0.27 10.0 6.67 148.88) = 86.169% kept QG2 VAL 65 - HA ILE 48 10.000% * 3.9817% (0.25 1.0 0.99 1.27) = 3.982% kept QG1 VAL 65 - HA ILE 48 10.000% * 3.8425% (0.14 1.0 1.68 1.27) = 3.843% kept HG3 LYS+ 44 - HA ILE 48 10.000% * 2.7825% (0.16 1.0 1.12 0.51) = 2.782% kept HG LEU 74 - HA ILE 48 10.000% * 1.5065% (0.35 1.0 0.27 0.02) = 1.507% kept QG2 THR 96 - HA ILE 48 10.000% * 1.0460% (0.21 1.0 0.31 0.02) = 1.046% kept QG2 ILE 101 - HA ILE 48 10.000% * 0.4407% (0.27 1.0 0.10 0.14) = 0.441% QG1 VAL 40 - HA ILE 48 10.000% * 0.0927% (0.29 1.0 0.02 0.02) = 0.093% QD1 ILE 68 - HA ILE 48 10.000% * 0.0889% (0.28 1.0 0.02 0.02) = 0.089% HG3 LYS+ 66 - HA ILE 48 10.000% * 0.0498% (0.16 1.0 0.02 0.02) = 0.050% Peak 2852 (9.38, 4.09, 65.46 ppm): 1 chemical-shift based assignment, quality = 0.477, support = 3.75, residual support = 27.7: * O HN THR 24 - HA THR 24 100.000% *100.0000% (0.48 10.0 3.75 27.69) = 100.000% kept Peak 2853 (4.98, 3.54, 65.41 ppm): 5 chemical-shift based assignments, quality = 0.721, support = 2.57, residual support = 19.6: * O HA SER 69 - HB2 SER 69 20.000% * 88.6015% (0.75 10.0 2.59 21.26) = 88.602% kept HA ILE 68 - HB2 SER 69 20.000% * 7.2043% (0.36 1.0 3.35 10.87) = 7.204% kept HA MET 97 - HB2 SER 69 20.000% * 4.1246% (0.71 1.0 0.99 0.02) = 4.125% kept HA PRO 31 - HB2 SER 69 20.000% * 0.0505% (0.43 1.0 0.02 0.02) = 0.050% HA HIS+ 98 - HB2 SER 69 20.000% * 0.0190% (0.16 1.0 0.02 0.02) = 0.019% Peak 2854 (4.44, 4.09, 65.50 ppm): 7 chemical-shift based assignments, quality = 0.919, support = 2.3, residual support = 27.6: * O HB THR 24 - HA THR 24 14.286% * 99.6920% (0.92 10.0 2.31 27.69) = 99.692% kept HA LYS+ 111 - HA THR 24 14.286% * 0.0977% (0.90 1.0 0.02 0.02) = 0.098% HA MET 118 - HA THR 24 14.286% * 0.0668% (0.62 1.0 0.02 0.02) = 0.067% HA LYS+ 66 - HA THR 24 14.286% * 0.0503% (0.47 1.0 0.02 0.02) = 0.050% HA GLU- 50 - HA THR 24 14.286% * 0.0463% (0.43 1.0 0.02 0.02) = 0.046% HA HIS+ 14 - HA THR 24 14.286% * 0.0287% (0.27 1.0 0.02 0.02) = 0.029% HA PRO 86 - HA THR 24 14.286% * 0.0181% (0.17 1.0 0.02 0.02) = 0.018% Peak 2855 (4.25, 4.10, 65.55 ppm): 19 chemical-shift based assignments, quality = 0.764, support = 0.35, residual support = 0.173: HA ASN 76 - HA THR 24 5.263% * 57.2774% (0.85 0.55 0.29) = 57.277% kept HA GLU- 75 - HA THR 24 5.263% * 12.2052% (0.58 0.17 0.02) = 12.205% kept HA ALA 11 - HA THR 24 5.263% * 10.5984% (0.88 0.10 0.02) = 10.598% kept HA PRO 59 - HA THR 24 5.263% * 2.1546% (0.88 0.02 0.02) = 2.155% kept HA GLU- 107 - HA THR 24 5.263% * 2.0291% (0.83 0.02 0.02) = 2.029% kept HA ASN 119 - HA THR 24 5.263% * 2.0291% (0.83 0.02 0.02) = 2.029% kept HA GLU- 10 - HA THR 24 5.263% * 1.7601% (0.72 0.02 0.02) = 1.760% kept HA LYS+ 108 - HA THR 24 5.263% * 1.7601% (0.72 0.02 0.02) = 1.760% kept HA GLU- 54 - HA THR 24 5.263% * 1.7601% (0.72 0.02 0.02) = 1.760% kept HA GLU- 64 - HA THR 24 5.263% * 1.3332% (0.55 0.02 0.02) = 1.333% kept HA ALA 42 - HA THR 24 5.263% * 1.3332% (0.55 0.02 0.02) = 1.333% kept HA SER 49 - HA THR 24 5.263% * 1.1565% (0.47 0.02 0.02) = 1.156% kept HA GLU- 56 - HA THR 24 5.263% * 0.9855% (0.40 0.02 0.02) = 0.985% HA GLU- 109 - HA THR 24 5.263% * 0.7498% (0.31 0.02 0.02) = 0.750% HB3 SER 49 - HA THR 24 5.263% * 0.7336% (0.30 0.02 0.02) = 0.734% HA PRO 52 - HA THR 24 5.263% * 0.5481% (0.22 0.02 0.02) = 0.548% HA ARG+ 84 - HA THR 24 5.263% * 0.5481% (0.22 0.02 0.02) = 0.548% HA SER 85 - HA THR 24 5.263% * 0.5481% (0.22 0.02 0.02) = 0.548% HA VAL 94 - HA THR 24 5.263% * 0.4894% (0.20 0.02 0.02) = 0.489% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2856 (4.09, 4.09, 65.48 ppm): 1 diagonal assignment: * HA THR 24 - HA THR 24 (0.94) kept Peak 2857 (3.62, 3.63, 65.50 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2858 (3.54, 3.71, 65.41 ppm): 3 chemical-shift based assignments, quality = 0.654, support = 1.95, residual support = 19.7: * O T HB2 SER 69 - HB3 SER 69 33.333% * 92.8575% (0.65 10.0 10.00 2.00 21.26) = 92.858% kept HA LYS+ 44 - HB3 SER 69 33.333% * 7.0213% (0.72 1.0 1.00 1.36 0.02) = 7.021% kept HA1 GLY 26 - HB3 SER 69 33.333% * 0.1212% (0.85 1.0 1.00 0.02 0.02) = 0.121% Peak 2859 (3.55, 3.54, 65.47 ppm): 1 diagonal assignment: * HB2 SER 69 - HB2 SER 69 (0.72) kept Peak 2860 (1.55, 4.09, 65.51 ppm): 9 chemical-shift based assignments, quality = 0.883, support = 2.87, residual support = 26.0: * O T QG2 THR 24 - HA THR 24 11.111% * 93.8962% (0.90 10.0 10.00 3.01 27.69) = 93.896% kept HG13 ILE 29 - HA THR 24 11.111% * 3.1905% (0.83 1.0 1.00 0.73 0.62) = 3.191% kept HG12 ILE 29 - HA THR 24 11.111% * 2.3973% (0.67 1.0 1.00 0.68 0.62) = 2.397% kept HB3 LEU 90 - HA THR 24 11.111% * 0.3081% (0.74 1.0 1.00 0.08 0.02) = 0.308% QB ALA 42 - HA THR 24 11.111% * 0.0707% (0.67 1.0 1.00 0.02 0.02) = 0.071% HD3 LYS+ 81 - HA THR 24 11.111% * 0.0436% (0.42 1.0 1.00 0.02 0.02) = 0.044% HD3 LYS+ 60 - HA THR 24 11.111% * 0.0365% (0.35 1.0 1.00 0.02 0.02) = 0.037% HG LEU 17 - HA THR 24 11.111% * 0.0300% (0.29 1.0 1.00 0.02 0.02) = 0.030% HB ILE 19 - HA THR 24 11.111% * 0.0271% (0.26 1.0 1.00 0.02 0.02) = 0.027% Peak 2865 (9.32, 0.29, 23.82 ppm): 2 chemical-shift based assignments, quality = 0.29, support = 3.22, residual support = 12.6: * HN ILE 29 - QD2 LEU 23 50.000% * 86.3904% (0.29 3.64 14.52) = 86.390% kept HN ILE 29 - QG1 VAL 122 50.000% * 13.6096% (0.31 0.54 0.45) = 13.610% kept Peak 2866 (4.79, 0.29, 23.83 ppm): 8 chemical-shift based assignments, quality = 0.72, support = 5.11, residual support = 111.7: * HA LEU 23 - QD2 LEU 23 12.500% * 92.9714% (0.73 5.48 120.20) = 92.971% kept HA LEU 23 - QG1 VAL 122 12.500% * 5.3854% (0.79 0.29 0.02) = 5.385% kept HB THR 39 - QD2 LEU 23 12.500% * 0.5440% (0.31 0.08 0.02) = 0.544% HA ASN 15 - QG1 VAL 122 12.500% * 0.3175% (0.68 0.02 0.02) = 0.318% HA ASN 15 - QD2 LEU 23 12.500% * 0.2913% (0.62 0.02 0.02) = 0.291% HA GLU- 18 - QG1 VAL 122 12.500% * 0.1735% (0.37 0.02 0.02) = 0.173% HA GLU- 18 - QD2 LEU 23 12.500% * 0.1592% (0.34 0.02 0.02) = 0.159% HB THR 39 - QG1 VAL 122 12.500% * 0.1577% (0.34 0.02 0.02) = 0.158% Peak 2867 (4.78, 0.84, 23.68 ppm): 2 chemical-shift based assignments, quality = 0.406, support = 0.28, residual support = 0.186: HA ASN 15 - QD2 LEU 90 50.000% * 52.8398% (0.59 0.16 0.22) = 52.840% kept HA LEU 23 - QD2 LEU 90 50.000% * 47.1602% (0.20 0.42 0.15) = 47.160% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 2868 (4.27, 4.28, 64.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2870 (1.91, 0.29, 23.82 ppm): 26 chemical-shift based assignments, quality = 0.789, support = 2.99, residual support = 52.9: * O T HB2 LEU 23 - QD2 LEU 23 3.846% * 39.9349% (0.86 10.0 10.00 5.25 120.20) = 39.935% kept T HB ILE 29 - QD2 LEU 23 3.846% * 33.0613% (0.71 1.0 10.00 2.01 14.52) = 33.061% kept T HB ILE 29 - QG1 VAL 122 3.846% * 18.3274% (0.76 1.0 10.00 1.04 0.45) = 18.327% kept T HB2 LEU 23 - QG1 VAL 122 3.846% * 7.0310% (0.92 1.0 10.00 0.33 0.02) = 7.031% kept HB3 CYS 123 - QG1 VAL 122 3.846% * 1.1359% (0.52 1.0 1.00 0.94 1.21) = 1.136% kept HD3 LYS+ 63 - QG1 VAL 122 3.846% * 0.0461% (0.99 1.0 1.00 0.02 0.02) = 0.046% HD3 LYS+ 63 - QD2 LEU 23 3.846% * 0.0432% (0.93 1.0 1.00 0.02 0.02) = 0.043% HB3 GLN 102 - QG1 VAL 122 3.846% * 0.0426% (0.92 1.0 1.00 0.02 0.02) = 0.043% HB2 PRO 112 - QG1 VAL 122 3.846% * 0.0423% (0.91 1.0 1.00 0.02 0.02) = 0.042% HB3 GLN 102 - QD2 LEU 23 3.846% * 0.0399% (0.86 1.0 1.00 0.02 0.96) = 0.040% HB2 PRO 112 - QD2 LEU 23 3.846% * 0.0396% (0.85 1.0 1.00 0.02 0.02) = 0.040% HB3 ARG+ 53 - QG1 VAL 122 3.846% * 0.0317% (0.68 1.0 1.00 0.02 0.02) = 0.032% HB3 ARG+ 53 - QD2 LEU 23 3.846% * 0.0297% (0.64 1.0 1.00 0.02 0.20) = 0.030% HB3 CYS 123 - QD2 LEU 23 3.846% * 0.0228% (0.49 1.0 1.00 0.02 0.02) = 0.023% HB2 PRO 116 - QG1 VAL 122 3.846% * 0.0190% (0.41 1.0 1.00 0.02 0.02) = 0.019% HB2 GLU- 10 - QG1 VAL 122 3.846% * 0.0190% (0.41 1.0 1.00 0.02 0.02) = 0.019% HB2 GLU- 10 - QD2 LEU 23 3.846% * 0.0178% (0.38 1.0 1.00 0.02 0.02) = 0.018% HB2 PRO 116 - QD2 LEU 23 3.846% * 0.0178% (0.38 1.0 1.00 0.02 0.02) = 0.018% HG2 GLU- 18 - QG1 VAL 122 3.846% * 0.0143% (0.31 1.0 1.00 0.02 0.02) = 0.014% HB3 GLN 16 - QG1 VAL 122 3.846% * 0.0143% (0.31 1.0 1.00 0.02 0.02) = 0.014% HG2 PRO 112 - QG1 VAL 122 3.846% * 0.0140% (0.30 1.0 1.00 0.02 0.02) = 0.014% HB3 GLN 16 - QD2 LEU 23 3.846% * 0.0134% (0.29 1.0 1.00 0.02 0.02) = 0.013% HG2 GLU- 18 - QD2 LEU 23 3.846% * 0.0134% (0.29 1.0 1.00 0.02 0.02) = 0.013% HG2 PRO 112 - QD2 LEU 23 3.846% * 0.0132% (0.28 1.0 1.00 0.02 0.02) = 0.013% HB2 GLU- 75 - QG1 VAL 122 3.846% * 0.0081% (0.17 1.0 1.00 0.02 0.02) = 0.008% HB2 GLU- 75 - QD2 LEU 23 3.846% * 0.0076% (0.16 1.0 1.00 0.02 0.02) = 0.008% Peak 2874 (1.63, 0.29, 23.82 ppm): 24 chemical-shift based assignments, quality = 0.774, support = 2.55, residual support = 47.5: * O T HG LEU 23 - QD2 LEU 23 4.167% * 36.7670% (0.84 10.0 10.00 4.92 120.20) = 36.767% kept O T HB VAL 122 - QG1 VAL 122 4.167% * 34.8661% (0.79 10.0 10.00 1.00 0.94) = 34.866% kept T HG12 ILE 101 - QD2 LEU 23 4.167% * 7.6329% (0.78 1.0 10.00 0.45 0.50) = 7.633% kept HG2 ARG+ 22 - QD2 LEU 23 4.167% * 7.1094% (0.78 1.0 1.00 4.15 40.42) = 7.109% kept T HG LEU 23 - QG1 VAL 122 4.167% * 6.4076% (0.89 1.0 10.00 0.33 0.02) = 6.408% kept T HG3 ARG+ 84 - QG1 VAL 122 4.167% * 5.5843% (0.31 1.0 10.00 0.83 1.53) = 5.584% kept HG2 ARG+ 22 - QG1 VAL 122 4.167% * 0.5762% (0.83 1.0 1.00 0.32 0.02) = 0.576% T HG12 ILE 101 - QG1 VAL 122 4.167% * 0.3637% (0.83 1.0 10.00 0.02 0.02) = 0.364% T HB VAL 122 - QD2 LEU 23 4.167% * 0.3283% (0.75 1.0 10.00 0.02 0.02) = 0.328% T HG3 ARG+ 84 - QD2 LEU 23 4.167% * 0.1265% (0.29 1.0 10.00 0.02 0.02) = 0.127% HB ILE 68 - QG1 VAL 122 4.167% * 0.0349% (0.79 1.0 1.00 0.02 0.02) = 0.035% HG LEU 43 - QG1 VAL 122 4.167% * 0.0349% (0.79 1.0 1.00 0.02 0.02) = 0.035% HG LEU 43 - QD2 LEU 23 4.167% * 0.0328% (0.75 1.0 1.00 0.02 0.02) = 0.033% HB ILE 68 - QD2 LEU 23 4.167% * 0.0328% (0.75 1.0 1.00 0.02 0.02) = 0.033% HG3 LYS+ 78 - QG1 VAL 122 4.167% * 0.0229% (0.52 1.0 1.00 0.02 0.02) = 0.023% HG3 LYS+ 78 - QD2 LEU 23 4.167% * 0.0216% (0.49 1.0 1.00 0.02 0.02) = 0.022% HG2 LYS+ 110 - QG1 VAL 122 4.167% * 0.0097% (0.22 1.0 1.00 0.02 0.02) = 0.010% HG2 LYS+ 110 - QD2 LEU 23 4.167% * 0.0091% (0.21 1.0 1.00 0.02 0.02) = 0.009% HB3 LYS+ 66 - QG1 VAL 122 4.167% * 0.0076% (0.17 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 66 - QD2 LEU 23 4.167% * 0.0072% (0.16 1.0 1.00 0.02 0.02) = 0.007% HB ILE 100 - QG1 VAL 122 4.167% * 0.0067% (0.15 1.0 1.00 0.02 0.02) = 0.007% HB ILE 100 - QD2 LEU 23 4.167% * 0.0063% (0.14 1.0 1.00 0.02 3.44) = 0.006% HB3 PRO 52 - QG1 VAL 122 4.167% * 0.0059% (0.13 1.0 1.00 0.02 1.73) = 0.006% HB3 PRO 52 - QD2 LEU 23 4.167% * 0.0055% (0.13 1.0 1.00 0.02 1.68) = 0.006% Peak 2896 (0.82, 0.81, 23.64 ppm): 1 diagonal assignment: * QD2 LEU 90 - QD2 LEU 90 (0.96) kept Peak 2926 (0.29, 0.29, 23.82 ppm): 2 diagonal assignments: QG1 VAL 122 - QG1 VAL 122 (0.98) kept * QD2 LEU 23 - QD2 LEU 23 (0.94) kept Peak 2939 (8.60, 4.00, 64.90 ppm): 4 chemical-shift based assignments, quality = 0.649, support = 3.03, residual support = 12.3: * O HN THR 39 - HA THR 38 25.000% * 82.8920% (0.63 10.0 3.39 14.77) = 82.892% kept HN LYS+ 20 - HA THR 38 25.000% * 7.4989% (0.97 1.0 1.18 0.11) = 7.499% kept HN VAL 80 - HA THR 38 25.000% * 5.9823% (0.59 1.0 1.54 0.97) = 5.982% kept HN VAL 73 - HA THR 38 25.000% * 3.6268% (0.44 1.0 1.26 0.38) = 3.627% kept Peak 2940 (7.87, 4.01, 64.81 ppm): 4 chemical-shift based assignments, quality = 0.883, support = 3.91, residual support = 19.7: * O HN THR 38 - HA THR 38 25.000% * 96.7272% (0.89 10.0 4.01 20.35) = 96.727% kept HN LEU 90 - HA THR 38 25.000% * 3.1201% (0.67 1.0 0.86 0.02) = 3.120% kept HD22 ASN 89 - HA THR 38 25.000% * 0.1000% (0.92 1.0 0.02 0.02) = 0.100% HN LYS+ 44 - HA THR 38 25.000% * 0.0527% (0.49 1.0 0.02 0.02) = 0.053% Peak 2941 (4.30, 0.85, 23.55 ppm): 12 chemical-shift based assignments, quality = 0.149, support = 1.16, residual support = 9.63: * HA LEU 90 - QD2 LEU 90 8.333% * 49.4590% (0.10 2.02 19.40) = 49.459% kept HA ILE 29 - QD2 LEU 90 8.333% * 18.7880% (0.22 0.36 0.02) = 18.788% kept HA ALA 93 - QD2 LEU 90 8.333% * 17.2858% (0.17 0.42 0.15) = 17.286% kept HA ASP- 36 - QD2 LEU 90 8.333% * 10.6962% (0.24 0.19 0.02) = 10.696% kept HA CYS 121 - QD2 LEU 90 8.333% * 0.9116% (0.19 0.02 0.02) = 0.912% HA THR 106 - QD2 LEU 90 8.333% * 0.8662% (0.18 0.02 0.02) = 0.866% HB3 CYS 121 - QD2 LEU 90 8.333% * 0.7235% (0.15 0.02 0.02) = 0.724% HA VAL 122 - QD2 LEU 90 8.333% * 0.4069% (0.09 0.02 0.02) = 0.407% HA VAL 94 - QD2 LEU 90 8.333% * 0.2361% (0.05 0.02 0.02) = 0.236% HA ARG+ 84 - QD2 LEU 90 8.333% * 0.2089% (0.04 0.02 0.02) = 0.209% HA SER 85 - QD2 LEU 90 8.333% * 0.2089% (0.04 0.02 0.02) = 0.209% HA PRO 52 - QD2 LEU 90 8.333% * 0.2089% (0.04 0.02 2.38) = 0.209% Peak 2942 (4.02, 4.01, 64.88 ppm): 1 diagonal assignment: * HA THR 38 - HA THR 38 (0.76) kept Peak 2943 (3.84, 3.84, 64.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2946 (1.41, 4.00, 64.94 ppm): 14 chemical-shift based assignments, quality = 0.682, support = 3.26, residual support = 18.2: * O QG2 THR 38 - HA THR 38 7.143% * 86.0765% (0.65 10.0 3.47 20.35) = 86.077% kept QB ALA 37 - HA THR 38 7.143% * 13.0304% (0.93 1.0 2.12 5.32) = 13.030% kept HG LEU 67 - HA THR 38 7.143% * 0.1087% (0.82 1.0 0.02 0.10) = 0.109% HD3 LYS+ 44 - HA THR 38 7.143% * 0.1087% (0.82 1.0 0.02 0.02) = 0.109% QB ALA 93 - HA THR 38 7.143% * 0.1047% (0.79 1.0 0.02 0.02) = 0.105% HG13 ILE 100 - HA THR 38 7.143% * 0.1047% (0.79 1.0 0.02 0.02) = 0.105% QB ALA 91 - HA THR 38 7.143% * 0.0958% (0.73 1.0 0.02 0.90) = 0.096% HD3 LYS+ 113 - HA THR 38 7.143% * 0.0709% (0.54 1.0 0.02 0.02) = 0.071% HG3 LYS+ 55 - HA THR 38 7.143% * 0.0659% (0.50 1.0 0.02 0.02) = 0.066% HG3 ARG+ 22 - HA THR 38 7.143% * 0.0659% (0.50 1.0 0.02 0.02) = 0.066% HD3 LYS+ 20 - HA THR 38 7.143% * 0.0610% (0.46 1.0 0.02 0.11) = 0.061% HG3 LYS+ 113 - HA THR 38 7.143% * 0.0562% (0.43 1.0 0.02 0.02) = 0.056% HG LEU 90 - HA THR 38 7.143% * 0.0312% (0.24 1.0 0.02 0.02) = 0.031% HG13 ILE 68 - HA THR 38 7.143% * 0.0193% (0.15 1.0 0.02 0.02) = 0.019% Peak 2963 (9.37, 1.54, 23.11 ppm): 1 chemical-shift based assignment, quality = 0.782, support = 4.27, residual support = 27.7: * HN THR 24 - QG2 THR 24 100.000% *100.0000% (0.78 4.27 27.69) = 100.000% kept Peak 2964 (9.26, 1.00, 23.14 ppm): 2 chemical-shift based assignments, quality = 0.477, support = 2.81, residual support = 13.8: * HN ILE 100 - QG1 VAL 99 50.000% * 84.4689% (0.51 3.13 13.75) = 84.469% kept HN LEU 23 - QG1 VAL 99 50.000% * 15.5311% (0.27 1.09 13.83) = 15.531% kept Peak 2965 (9.27, 0.95, 23.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2966 (9.09, 0.73, 23.16 ppm): 4 chemical-shift based assignments, quality = 0.634, support = 3.3, residual support = 11.1: * HN LYS+ 66 - QG2 VAL 65 25.000% * 86.7900% (0.65 3.72 12.79) = 86.790% kept HN LYS+ 66 - HG3 LYS+ 44 25.000% * 12.4874% (0.59 0.59 0.24) = 12.487% kept HN GLU- 54 - QG2 VAL 65 25.000% * 0.3793% (0.53 0.02 0.02) = 0.379% HN GLU- 54 - HG3 LYS+ 44 25.000% * 0.3433% (0.48 0.02 0.02) = 0.343% Peak 2967 (8.97, 0.95, 23.18 ppm): 6 chemical-shift based assignments, quality = 0.0673, support = 1.28, residual support = 4.78: HN MET 97 - QG2 VAL 99 16.667% * 45.0591% (0.10 0.79 1.69) = 45.059% kept * HN ARG+ 22 - QG2 VAL 99 16.667% * 39.1026% (0.03 2.14 9.22) = 39.103% kept HN PHE 21 - QG2 VAL 99 16.667% * 8.9937% (0.02 0.89 4.45) = 8.994% kept HN LEU 17 - QG2 VAL 99 16.667% * 4.1913% (0.08 0.09 0.32) = 4.191% kept HN THR 96 - QG2 VAL 99 16.667% * 1.3514% (0.03 0.09 0.02) = 1.351% kept HN ILE 19 - QG2 VAL 99 16.667% * 1.3019% (0.12 0.02 0.02) = 1.302% kept Peak 2968 (8.31, 0.95, 23.15 ppm): 6 chemical-shift based assignments, quality = 0.166, support = 2.25, residual support = 20.0: * HN VAL 99 - QG2 VAL 99 16.667% * 92.8303% (0.17 2.42 21.52) = 92.830% kept HN ALA 91 - QG2 VAL 99 16.667% * 4.2633% (0.12 0.16 0.02) = 4.263% kept HN GLU- 50 - QG2 VAL 99 16.667% * 1.5702% (0.04 0.16 0.02) = 1.570% kept HN ASN 76 - QG2 VAL 99 16.667% * 0.6160% (0.14 0.02 0.02) = 0.616% HN GLY 114 - QG2 VAL 99 16.667% * 0.5284% (0.12 0.02 0.02) = 0.528% HN ASP- 28 - QG2 VAL 99 16.667% * 0.1918% (0.04 0.02 0.44) = 0.192% Peak 2969 (8.30, 3.84, 64.57 ppm): 12 chemical-shift based assignments, quality = 0.049, support = 1.11, residual support = 1.58: * HN ASN 89 - HB3 SER 88 8.333% * 53.7997% (0.03 1.94 2.69) = 53.800% kept HN ALA 91 - HB3 SER 77 8.333% * 15.6786% (0.09 0.16 0.02) = 15.679% kept HN ALA 91 - HB3 SER 88 8.333% * 12.1304% (0.10 0.11 0.02) = 12.130% kept HN ASN 76 - HB3 SER 77 8.333% * 9.8499% (0.04 0.24 1.33) = 9.850% kept HN VAL 99 - HB3 SER 88 8.333% * 1.6979% (0.08 0.02 0.02) = 1.698% kept HN VAL 99 - HB3 SER 77 8.333% * 1.5441% (0.07 0.02 0.02) = 1.544% kept HN ASP- 28 - HB3 SER 88 8.333% * 1.3476% (0.06 0.02 0.02) = 1.348% kept HN ASP- 28 - HB3 SER 77 8.333% * 1.2254% (0.06 0.02 0.02) = 1.225% kept HN ASN 76 - HB3 SER 88 8.333% * 0.9134% (0.04 0.02 0.02) = 0.913% HN GLY 114 - HB3 SER 88 8.333% * 0.6857% (0.03 0.02 0.02) = 0.686% HN GLY 114 - HB3 SER 77 8.333% * 0.6236% (0.03 0.02 0.32) = 0.624% HN ASN 89 - HB3 SER 77 8.333% * 0.5038% (0.02 0.02 0.02) = 0.504% Not enough quality. Peak unassigned. Peak 2970 (8.29, 3.71, 64.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2971 (6.90, 0.95, 23.16 ppm): 3 chemical-shift based assignments, quality = 0.111, support = 0.711, residual support = 4.21: * QD PHE 21 - QG2 VAL 99 33.333% * 94.7003% (0.11 0.75 4.45) = 94.700% kept HD22 ASN 15 - QG2 VAL 99 33.333% * 3.4700% (0.15 0.02 0.02) = 3.470% kept HD21 ASN 119 - QG2 VAL 99 33.333% * 1.8297% (0.08 0.02 0.02) = 1.830% kept Peak 2972 (4.80, 1.54, 23.11 ppm): 4 chemical-shift based assignments, quality = 0.876, support = 3.94, residual support = 12.2: * HA LEU 23 - QG2 THR 24 25.000% * 93.7378% (0.90 4.18 13.02) = 93.738% kept HB THR 39 - QG2 THR 24 25.000% * 4.7530% (0.69 0.28 0.02) = 4.753% kept HA ASN 15 - QG2 THR 24 25.000% * 1.1496% (0.25 0.18 0.23) = 1.150% kept HA GLU- 18 - QG2 THR 24 25.000% * 0.3597% (0.72 0.02 0.02) = 0.360% Peak 2973 (4.72, 1.01, 23.11 ppm): 6 chemical-shift based assignments, quality = 0.459, support = 1.82, residual support = 19.4: * O HA VAL 99 - QG1 VAL 99 16.667% * 89.5219% (0.40 10.0 1.93 21.52) = 89.522% kept HA LYS+ 20 - QG1 VAL 99 16.667% * 9.9439% (0.97 1.0 0.89 1.04) = 9.944% kept HA2 GLY 30 - QG1 VAL 99 16.667% * 0.1804% (0.79 1.0 0.02 0.02) = 0.180% HA THR 39 - QG1 VAL 99 16.667% * 0.1636% (0.71 1.0 0.02 0.02) = 0.164% HA THR 61 - QG1 VAL 99 16.667% * 0.1276% (0.56 1.0 0.02 0.02) = 0.128% HA GLN 16 - QG1 VAL 99 16.667% * 0.0626% (0.27 1.0 0.02 0.02) = 0.063% Peak 2974 (4.72, 0.95, 23.14 ppm): 6 chemical-shift based assignments, quality = 0.148, support = 2.83, residual support = 19.9: * O HA VAL 99 - QG2 VAL 99 16.667% * 92.4881% (0.15 10.0 3.01 21.52) = 92.488% kept HA THR 61 - QG2 VAL 99 16.667% * 3.8271% (0.17 1.0 0.71 0.02) = 3.827% kept HA LYS+ 20 - QG2 VAL 99 16.667% * 3.3721% (0.17 1.0 0.62 1.04) = 3.372% kept HA2 GLY 30 - QG2 VAL 99 16.667% * 0.1208% (0.19 1.0 0.02 0.02) = 0.121% HA THR 39 - QG2 VAL 99 16.667% * 0.1186% (0.19 1.0 0.02 0.02) = 0.119% HA GLN 16 - QG2 VAL 99 16.667% * 0.0734% (0.12 1.0 0.02 0.02) = 0.073% Peak 2975 (4.44, 1.54, 23.11 ppm): 8 chemical-shift based assignments, quality = 0.777, support = 2.5, residual support = 27.6: * O HB THR 24 - QG2 THR 24 12.500% * 99.6307% (0.78 10.0 2.51 27.69) = 99.631% kept HA MET 118 - QG2 THR 24 12.500% * 0.0996% (0.78 1.0 0.02 0.02) = 0.100% HA LYS+ 111 - QG2 THR 24 12.500% * 0.0955% (0.75 1.0 0.02 0.02) = 0.096% HA GLU- 50 - QG2 THR 24 12.500% * 0.0772% (0.60 1.0 0.02 0.02) = 0.077% HA LYS+ 66 - QG2 THR 24 12.500% * 0.0368% (0.29 1.0 0.02 0.02) = 0.037% HA GLN 102 - QG2 THR 24 12.500% * 0.0209% (0.16 1.0 0.02 0.02) = 0.021% HA ILE 100 - QG2 THR 24 12.500% * 0.0209% (0.16 1.0 0.02 0.02) = 0.021% HA HIS+ 14 - QG2 THR 24 12.500% * 0.0184% (0.14 1.0 0.02 0.02) = 0.018% Peak 2976 (4.38, 3.85, 64.58 ppm): 24 chemical-shift based assignments, quality = 0.111, support = 1.59, residual support = 11.9: * O T HA SER 88 - HB3 SER 88 4.167% * 92.1837% (0.11 10.0 10.00 1.72 12.96) = 92.184% kept T HA SER 27 - HB3 SER 77 4.167% * 4.4174% (0.13 1.0 10.00 0.08 0.02) = 4.417% kept T HA SER 27 - HB3 SER 88 4.167% * 1.1036% (0.13 1.0 10.00 0.02 0.02) = 1.104% kept T HA SER 88 - HB3 SER 77 4.167% * 0.8769% (0.11 1.0 10.00 0.02 0.02) = 0.877% HA ALA 37 - HB3 SER 88 4.167% * 0.1101% (0.13 1.0 1.00 0.02 0.02) = 0.110% HA LYS+ 60 - HB3 SER 88 4.167% * 0.1065% (0.13 1.0 1.00 0.02 0.02) = 0.107% HA ALA 37 - HB3 SER 77 4.167% * 0.1047% (0.13 1.0 1.00 0.02 0.02) = 0.105% HA TRP 51 - HB3 SER 88 4.167% * 0.1044% (0.13 1.0 1.00 0.02 0.02) = 0.104% HA ALA 91 - HB3 SER 88 4.167% * 0.1019% (0.12 1.0 1.00 0.02 0.02) = 0.102% HA LYS+ 60 - HB3 SER 77 4.167% * 0.1013% (0.12 1.0 1.00 0.02 0.02) = 0.101% HA TRP 51 - HB3 SER 77 4.167% * 0.0993% (0.12 1.0 1.00 0.02 0.02) = 0.099% HA ALA 91 - HB3 SER 77 4.167% * 0.0969% (0.12 1.0 1.00 0.02 0.02) = 0.097% HB THR 61 - HB3 SER 88 4.167% * 0.0843% (0.10 1.0 1.00 0.02 0.02) = 0.084% HB THR 61 - HB3 SER 77 4.167% * 0.0802% (0.10 1.0 1.00 0.02 0.02) = 0.080% HA2 GLY 26 - HB3 SER 88 4.167% * 0.0714% (0.09 1.0 1.00 0.02 0.02) = 0.071% HA2 GLY 26 - HB3 SER 77 4.167% * 0.0679% (0.08 1.0 1.00 0.02 0.02) = 0.068% HA ASN 57 - HB3 SER 88 4.167% * 0.0495% (0.06 1.0 1.00 0.02 0.02) = 0.049% HA ASN 57 - HB3 SER 77 4.167% * 0.0471% (0.06 1.0 1.00 0.02 0.02) = 0.047% HA THR 95 - HB3 SER 88 4.167% * 0.0454% (0.06 1.0 1.00 0.02 0.02) = 0.045% HA THR 95 - HB3 SER 77 4.167% * 0.0432% (0.05 1.0 1.00 0.02 0.02) = 0.043% HA PRO 104 - HB3 SER 88 4.167% * 0.0341% (0.04 1.0 1.00 0.02 0.02) = 0.034% HA PRO 104 - HB3 SER 77 4.167% * 0.0324% (0.04 1.0 1.00 0.02 0.02) = 0.032% HA PRO 112 - HB3 SER 88 4.167% * 0.0193% (0.02 1.0 1.00 0.02 0.02) = 0.019% HA PRO 112 - HB3 SER 77 4.167% * 0.0184% (0.02 1.0 1.00 0.02 0.02) = 0.018% Peak 2977 (4.37, 3.72, 64.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2978 (4.29, 0.94, 23.10 ppm): 13 chemical-shift based assignments, quality = 0.136, support = 0.02, residual support = 0.0712: HA CYS 121 - QG2 VAL 99 7.692% * 12.1898% (0.18 0.02 0.02) = 12.190% kept HA ASP- 36 - QG2 VAL 99 7.692% * 12.1898% (0.18 0.02 0.02) = 12.190% kept HA THR 106 - QG2 VAL 99 7.692% * 12.0017% (0.18 0.02 0.02) = 12.002% kept HB3 CYS 121 - QG2 VAL 99 7.692% * 11.1531% (0.17 0.02 0.02) = 11.153% kept HA LEU 90 - QG2 VAL 99 7.692% * 9.0304% (0.14 0.02 0.02) = 9.030% kept HA VAL 122 - QG2 VAL 99 7.692% * 8.0450% (0.12 0.02 0.02) = 8.045% kept HA ILE 29 - QG2 VAL 99 7.692% * 7.0407% (0.11 0.02 0.02) = 7.041% kept HA VAL 94 - QG2 VAL 99 7.692% * 5.5755% (0.08 0.02 0.02) = 5.575% kept HA ARG+ 84 - QG2 VAL 99 7.692% * 5.1126% (0.08 0.02 0.02) = 5.113% kept HA SER 85 - QG2 VAL 99 7.692% * 5.1126% (0.08 0.02 0.02) = 5.113% kept HA PRO 52 - QG2 VAL 99 7.692% * 5.1126% (0.08 0.02 1.02) = 5.113% kept HA ALA 93 - QG2 VAL 99 7.692% * 4.6674% (0.07 0.02 0.02) = 4.667% kept HA GLU- 56 - QG2 VAL 99 7.692% * 2.7687% (0.04 0.02 0.02) = 2.769% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 2979 (4.20, 0.73, 23.17 ppm): 10 chemical-shift based assignments, quality = 0.624, support = 3.46, residual support = 21.4: * O T HA VAL 65 - QG2 VAL 65 10.000% * 72.3500% (0.65 10.0 10.00 4.60 29.62) = 72.350% kept T HA VAL 65 - HG3 LYS+ 44 10.000% * 19.6853% (0.56 1.0 10.00 0.62 0.02) = 19.685% kept T HB3 SER 49 - QG2 VAL 65 10.000% * 5.7884% (0.78 1.0 10.00 0.13 0.10) = 5.788% kept T HB3 SER 49 - HG3 LYS+ 44 10.000% * 0.7659% (0.68 1.0 10.00 0.02 0.02) = 0.766% T HA VAL 73 - QG2 VAL 65 10.000% * 0.6332% (0.57 1.0 10.00 0.02 0.02) = 0.633% T HA VAL 73 - HG3 LYS+ 44 10.000% * 0.5525% (0.49 1.0 10.00 0.02 0.02) = 0.553% HA ASP- 82 - QG2 VAL 65 10.000% * 0.0855% (0.76 1.0 1.00 0.02 0.02) = 0.085% HA ASP- 82 - HG3 LYS+ 44 10.000% * 0.0746% (0.67 1.0 1.00 0.02 0.02) = 0.075% HA GLU- 12 - QG2 VAL 65 10.000% * 0.0345% (0.31 1.0 1.00 0.02 0.02) = 0.035% HA GLU- 12 - HG3 LYS+ 44 10.000% * 0.0301% (0.27 1.0 1.00 0.02 0.02) = 0.030% Peak 2980 (4.07, 4.07, 64.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2981 (4.09, 1.54, 23.11 ppm): 5 chemical-shift based assignments, quality = 0.939, support = 3.0, residual support = 27.6: * O T HA THR 24 - QG2 THR 24 20.000% * 99.6966% (0.94 10.0 10.00 3.01 27.69) = 99.697% kept HA LYS+ 63 - QG2 THR 24 20.000% * 0.0902% (0.85 1.0 1.00 0.02 0.02) = 0.090% HA ALA 70 - QG2 THR 24 20.000% * 0.0873% (0.82 1.0 1.00 0.02 0.02) = 0.087% HB3 SER 49 - QG2 THR 24 20.000% * 0.0730% (0.69 1.0 1.00 0.02 0.02) = 0.073% HA THR 46 - QG2 THR 24 20.000% * 0.0529% (0.50 1.0 1.00 0.02 0.02) = 0.053% Peak 2982 (4.02, 3.86, 64.56 ppm): 10 chemical-shift based assignments, quality = 0.0622, support = 0.31, residual support = 0.124: HB3 SER 49 - HB3 SER 77 10.000% * 36.5547% (0.03 1.00 0.77 0.31) = 36.555% kept T HB3 SER 85 - HB3 SER 88 10.000% * 12.4631% (0.03 10.00 0.02 0.02) = 12.463% kept T HB3 SER 85 - HB3 SER 77 10.000% * 12.2776% (0.03 10.00 0.02 0.02) = 12.278% kept HB3 SER 49 - HB3 SER 88 10.000% * 8.6096% (0.03 1.00 0.18 0.02) = 8.610% kept HA VAL 13 - HB3 SER 88 10.000% * 6.2977% (0.17 1.00 0.02 0.02) = 6.298% kept HA VAL 13 - HB3 SER 77 10.000% * 6.2040% (0.17 1.00 0.02 0.02) = 6.204% kept HA THR 38 - HB3 SER 88 10.000% * 5.0428% (0.14 1.00 0.02 0.02) = 5.043% kept HA THR 38 - HB3 SER 77 10.000% * 4.9678% (0.13 1.00 0.02 0.02) = 4.968% kept HB THR 95 - HB3 SER 88 10.000% * 3.8198% (0.10 1.00 0.02 0.02) = 3.820% kept HB THR 95 - HB3 SER 77 10.000% * 3.7629% (0.10 1.00 0.02 0.02) = 3.763% kept Not enough quality. Peak unassigned. Peak 2983 (3.73, 3.72, 64.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2984 (3.52, 0.73, 23.16 ppm): 6 chemical-shift based assignments, quality = 0.74, support = 3.51, residual support = 55.5: * O T HA LYS+ 44 - HG3 LYS+ 44 16.667% * 98.5863% (0.74 10.0 10.00 3.56 56.31) = 98.586% kept T HA LYS+ 44 - QG2 VAL 65 16.667% * 1.1927% (0.89 1.0 10.00 0.02 0.02) = 1.193% kept HA1 GLY 26 - QG2 VAL 65 16.667% * 0.1035% (0.78 1.0 1.00 0.02 0.02) = 0.103% HA1 GLY 26 - HG3 LYS+ 44 16.667% * 0.0855% (0.64 1.0 1.00 0.02 0.02) = 0.086% HB2 SER 69 - QG2 VAL 65 16.667% * 0.0175% (0.13 1.0 1.00 0.02 0.02) = 0.017% HB2 SER 69 - HG3 LYS+ 44 16.667% * 0.0145% (0.11 1.0 1.00 0.02 0.02) = 0.014% Peak 2985 (3.46, 0.95, 23.08 ppm): 6 chemical-shift based assignments, quality = 0.201, support = 0.826, residual support = 0.962: T HA VAL 62 - QG2 VAL 99 16.667% * 92.3244% (0.20 10.00 0.89 1.04) = 92.324% kept T HA VAL 80 - QG2 VAL 99 16.667% * 3.1873% (0.30 10.00 0.02 0.02) = 3.187% kept T HA VAL 40 - QG2 VAL 99 16.667% * 3.1661% (0.30 10.00 0.02 0.02) = 3.166% kept HA ILE 48 - QG2 VAL 99 16.667% * 0.7917% (0.09 1.00 0.16 0.20) = 0.792% HD3 PRO 31 - QG2 VAL 99 16.667% * 0.2865% (0.27 1.00 0.02 0.02) = 0.286% HA1 GLY 71 - QG2 VAL 99 16.667% * 0.2441% (0.23 1.00 0.02 0.02) = 0.244% Peak 2986 (2.96, 0.95, 23.18 ppm): 3 chemical-shift based assignments, quality = 0.0603, support = 0.606, residual support = 4.33: * T HB2 PHE 21 - QG2 VAL 99 33.333% * 97.3918% (0.06 10.00 0.62 4.45) = 97.392% kept T HE3 LYS+ 113 - QG2 VAL 99 33.333% * 1.3837% (0.03 10.00 0.02 0.02) = 1.384% kept T HE2 LYS+ 117 - QG2 VAL 99 33.333% * 1.2245% (0.02 10.00 0.02 0.02) = 1.225% kept Peak 2988 (2.18, 1.01, 23.12 ppm): 9 chemical-shift based assignments, quality = 0.984, support = 2.81, residual support = 21.1: * O HB VAL 99 - QG1 VAL 99 11.111% * 98.0252% (0.99 10.0 2.86 21.52) = 98.025% kept HG2 GLN 102 - QG1 VAL 99 11.111% * 1.5362% (0.86 1.0 0.36 0.02) = 1.536% kept HB3 PRO 104 - QG1 VAL 99 11.111% * 0.0974% (0.98 1.0 0.02 0.02) = 0.097% HG2 PRO 112 - QG1 VAL 99 11.111% * 0.0966% (0.98 1.0 0.02 0.02) = 0.097% HB2 ASP- 82 - QG1 VAL 99 11.111% * 0.0881% (0.89 1.0 0.02 0.02) = 0.088% HG2 MET 126 - QG1 VAL 99 11.111% * 0.0713% (0.72 1.0 0.02 0.02) = 0.071% HG2 PRO 104 - QG1 VAL 99 11.111% * 0.0404% (0.41 1.0 0.02 0.02) = 0.040% HB3 GLU- 75 - QG1 VAL 99 11.111% * 0.0297% (0.30 1.0 0.02 0.02) = 0.030% HG3 MET 126 - QG1 VAL 99 11.111% * 0.0152% (0.15 1.0 0.02 0.02) = 0.015% Peak 2989 (2.19, 0.95, 23.16 ppm): 12 chemical-shift based assignments, quality = 0.139, support = 1.82, residual support = 20.9: * O T HB VAL 99 - QG2 VAL 99 8.333% * 97.2178% (0.14 10.0 10.00 1.87 21.52) = 97.218% kept T HG2 MET 126 - QG2 VAL 99 8.333% * 0.9445% (0.14 1.0 10.00 0.02 0.02) = 0.944% T HG2 GLN 102 - QG2 VAL 99 8.333% * 0.7234% (0.11 1.0 10.00 0.02 0.02) = 0.723% T HG3 MET 126 - QG2 VAL 99 8.333% * 0.2928% (0.04 1.0 10.00 0.02 0.02) = 0.293% T HB3 GLU- 75 - QG2 VAL 99 8.333% * 0.2768% (0.04 1.0 10.00 0.02 0.02) = 0.277% T HG3 MET 97 - QG2 VAL 99 8.333% * 0.2084% (0.03 1.0 10.00 0.02 1.69) = 0.208% HG2 PRO 112 - QG2 VAL 99 8.333% * 0.1040% (0.15 1.0 1.00 0.02 0.02) = 0.104% HB3 PRO 104 - QG2 VAL 99 8.333% * 0.0944% (0.14 1.0 1.00 0.02 0.02) = 0.094% HB2 ASP- 82 - QG2 VAL 99 8.333% * 0.0765% (0.11 1.0 1.00 0.02 0.02) = 0.076% HG2 PRO 104 - QG2 VAL 99 8.333% * 0.0263% (0.04 1.0 1.00 0.02 0.02) = 0.026% HA1 GLY 58 - QG2 VAL 99 8.333% * 0.0208% (0.03 1.0 1.00 0.02 0.02) = 0.021% HB2 GLU- 50 - QG2 VAL 99 8.333% * 0.0143% (0.02 1.0 1.00 0.02 0.02) = 0.014% Peak 2991 (2.01, 0.73, 23.16 ppm): 30 chemical-shift based assignments, quality = 0.638, support = 2.34, residual support = 18.4: T HB3 GLU- 64 - QG2 VAL 65 3.333% * 60.2098% (0.76 10.00 2.98 26.48) = 60.210% kept T HB3 GLU- 75 - HG3 LYS+ 44 3.333% * 20.4368% (0.33 10.00 1.59 3.27) = 20.437% kept T HB3 GLU- 64 - HG3 LYS+ 44 3.333% * 7.9658% (0.69 10.00 0.29 0.02) = 7.966% kept HG3 GLU- 64 - QG2 VAL 65 3.333% * 6.5252% (0.61 1.00 2.73 26.48) = 6.525% kept HB3 PRO 31 - HG3 LYS+ 44 3.333% * 2.2298% (0.75 1.00 0.75 0.98) = 2.230% kept HG2 PRO 112 - QG2 VAL 65 3.333% * 0.7325% (0.58 1.00 0.32 0.02) = 0.733% T HB3 GLU- 75 - QG2 VAL 65 3.333% * 0.2850% (0.36 10.00 0.02 0.02) = 0.285% HB3 GLU- 54 - QG2 VAL 65 3.333% * 0.2288% (0.65 1.00 0.09 0.02) = 0.229% HB3 GLU- 54 - HG3 LYS+ 44 3.333% * 0.1851% (0.58 1.00 0.08 0.02) = 0.185% HB2 GLU- 18 - QG2 VAL 65 3.333% * 0.0772% (0.98 1.00 0.02 0.02) = 0.077% HG2 PRO 116 - QG2 VAL 65 3.333% * 0.0772% (0.98 1.00 0.02 0.02) = 0.077% HB3 GLU- 107 - QG2 VAL 65 3.333% * 0.0760% (0.96 1.00 0.02 0.02) = 0.076% HG3 PRO 112 - QG2 VAL 65 3.333% * 0.0760% (0.96 1.00 0.02 0.02) = 0.076% HB2 HIS+ 14 - QG2 VAL 65 3.333% * 0.0727% (0.92 1.00 0.02 0.02) = 0.073% HB3 MET 118 - QG2 VAL 65 3.333% * 0.0727% (0.92 1.00 0.02 0.02) = 0.073% HB2 GLU- 18 - HG3 LYS+ 44 3.333% * 0.0698% (0.89 1.00 0.02 0.02) = 0.070% HG2 PRO 116 - HG3 LYS+ 44 3.333% * 0.0698% (0.89 1.00 0.02 0.02) = 0.070% HG3 PRO 112 - HG3 LYS+ 44 3.333% * 0.0687% (0.87 1.00 0.02 0.27) = 0.069% HB3 GLU- 107 - HG3 LYS+ 44 3.333% * 0.0687% (0.87 1.00 0.02 0.02) = 0.069% HB3 PRO 31 - QG2 VAL 65 3.333% * 0.0658% (0.83 1.00 0.02 0.02) = 0.066% HB2 HIS+ 14 - HG3 LYS+ 44 3.333% * 0.0657% (0.83 1.00 0.02 0.02) = 0.066% HB3 MET 118 - HG3 LYS+ 44 3.333% * 0.0657% (0.83 1.00 0.02 0.02) = 0.066% HB3 GLU- 10 - QG2 VAL 65 3.333% * 0.0602% (0.76 1.00 0.02 0.02) = 0.060% HB3 GLU- 10 - HG3 LYS+ 44 3.333% * 0.0544% (0.69 1.00 0.02 0.02) = 0.054% HG3 GLU- 64 - HG3 LYS+ 44 3.333% * 0.0432% (0.55 1.00 0.02 0.02) = 0.043% HG2 PRO 112 - HG3 LYS+ 44 3.333% * 0.0412% (0.52 1.00 0.02 0.27) = 0.041% HB3 LYS+ 110 - QG2 VAL 65 3.333% * 0.0243% (0.31 1.00 0.02 0.02) = 0.024% HB3 LYS+ 110 - HG3 LYS+ 44 3.333% * 0.0220% (0.28 1.00 0.02 0.02) = 0.022% HB2 LYS+ 108 - QG2 VAL 65 3.333% * 0.0156% (0.20 1.00 0.02 0.02) = 0.016% HB2 LYS+ 108 - HG3 LYS+ 44 3.333% * 0.0141% (0.18 1.00 0.02 0.02) = 0.014% Reference assignment not found: HB VAL 65 - QG2 VAL 65 Peak 2996 (1.67, 0.95, 23.18 ppm): 10 chemical-shift based assignments, quality = 0.106, support = 1.67, residual support = 10.6: HB ILE 100 - QG2 VAL 99 10.000% * 67.5226% (0.12 2.17 13.75) = 67.523% kept HB3 MET 97 - QG2 VAL 99 10.000% * 12.8550% (0.12 0.40 1.69) = 12.855% kept HG2 ARG+ 22 - QG2 VAL 99 10.000% * 11.8694% (0.04 1.21 9.22) = 11.869% kept HG3 ARG+ 84 - QG2 VAL 99 10.000% * 5.0845% (0.10 0.19 0.02) = 5.084% kept HB3 MET 126 - QG2 VAL 99 10.000% * 0.6294% (0.12 0.02 0.02) = 0.629% HB3 LYS+ 66 - QG2 VAL 99 10.000% * 0.6128% (0.12 0.02 0.02) = 0.613% HB3 LYS+ 81 - QG2 VAL 99 10.000% * 0.5862% (0.11 0.02 0.36) = 0.586% HD3 LYS+ 55 - QG2 VAL 99 10.000% * 0.3595% (0.07 0.02 0.02) = 0.360% HG13 ILE 19 - QG2 VAL 99 10.000% * 0.2847% (0.05 0.02 0.02) = 0.285% HG2 PRO 52 - QG2 VAL 99 10.000% * 0.1960% (0.04 0.02 1.02) = 0.196% Reference assignment not found: HB3 ARG+ 22 - QG2 VAL 99 Peak 2997 (1.59, 1.02, 23.13 ppm): 9 chemical-shift based assignments, quality = 0.648, support = 0.841, residual support = 0.508: HB3 PRO 52 - QG1 VAL 99 11.111% * 47.6739% (0.66 1.27 1.02) = 47.674% kept HB3 LYS+ 32 - QG1 VAL 99 11.111% * 21.8562% (0.79 0.48 0.02) = 21.856% kept HD3 LYS+ 32 - QG1 VAL 99 11.111% * 17.6832% (0.77 0.40 0.02) = 17.683% kept HB ILE 19 - QG1 VAL 99 11.111% * 7.9842% (0.24 0.59 0.02) = 7.984% kept HG LEU 17 - QG1 VAL 99 11.111% * 3.5903% (0.21 0.29 0.32) = 3.590% kept HG2 LYS+ 110 - QG1 VAL 99 11.111% * 0.5945% (0.52 0.02 0.02) = 0.595% HG3 LYS+ 78 - QG1 VAL 99 11.111% * 0.2725% (0.24 0.02 0.02) = 0.273% HD3 LYS+ 60 - QG1 VAL 99 11.111% * 0.1940% (0.17 0.02 0.02) = 0.194% HD3 LYS+ 81 - QG1 VAL 99 11.111% * 0.1512% (0.13 0.02 0.36) = 0.151% Peak 2999 (1.55, 1.54, 23.11 ppm): 1 diagonal assignment: * QG2 THR 24 - QG2 THR 24 (0.93) kept Peak 3002 (1.58, 1.02, 23.15 ppm): 11 chemical-shift based assignments, quality = 0.475, support = 0.663, residual support = 0.309: HB3 PRO 52 - QG1 VAL 99 9.091% * 26.0197% (0.29 1.27 1.02) = 26.020% kept HB3 LYS+ 32 - QG1 VAL 99 9.091% * 25.3940% (0.76 0.48 0.02) = 25.394% kept HB ILE 19 - QG1 VAL 99 9.091% * 20.6453% (0.51 0.59 0.02) = 20.645% kept HD3 LYS+ 32 - QG1 VAL 99 9.091% * 11.5290% (0.41 0.40 0.02) = 11.529% kept HG LEU 17 - QG1 VAL 99 9.091% * 9.7056% (0.47 0.29 0.32) = 9.706% kept HG12 ILE 29 - QG1 VAL 99 9.091% * 3.5527% (0.17 0.29 0.02) = 3.553% kept HB3 LEU 90 - QG1 VAL 99 9.091% * 1.5780% (0.14 0.17 0.02) = 1.578% kept HD3 LYS+ 60 - QG1 VAL 99 9.091% * 0.5731% (0.41 0.02 0.02) = 0.573% HD3 LYS+ 81 - QG1 VAL 99 9.091% * 0.4884% (0.35 0.02 0.36) = 0.488% HG2 LYS+ 110 - QG1 VAL 99 9.091% * 0.2716% (0.20 0.02 0.02) = 0.272% QB ALA 42 - QG1 VAL 99 9.091% * 0.2425% (0.17 0.02 0.02) = 0.243% Peak 3004 (1.46, 0.73, 23.14 ppm): 22 chemical-shift based assignments, quality = 0.529, support = 2.12, residual support = 30.8: * O T HB3 LYS+ 44 - HG3 LYS+ 44 4.545% * 54.4105% (0.32 10.0 10.00 3.30 56.31) = 54.410% kept HB3 LEU 67 - HG3 LYS+ 44 4.545% * 8.4123% (0.80 1.0 1.00 1.22 0.80) = 8.412% kept HB3 LEU 67 - QG2 VAL 65 4.545% * 7.6224% (0.86 1.0 1.00 1.03 0.72) = 7.622% kept T HB3 LYS+ 44 - QG2 VAL 65 4.545% * 6.6860% (0.34 1.0 10.00 0.23 0.02) = 6.686% kept HG2 PRO 59 - QG2 VAL 65 4.545% * 5.5728% (0.94 1.0 1.00 0.69 0.02) = 5.573% kept HG13 ILE 48 - HG3 LYS+ 44 4.545% * 5.1659% (0.92 1.0 1.00 0.65 0.51) = 5.166% kept HG13 ILE 48 - QG2 VAL 65 4.545% * 4.4252% (0.99 1.0 1.00 0.52 1.27) = 4.425% kept HG3 LYS+ 60 - QG2 VAL 65 4.545% * 4.2938% (0.94 1.0 1.00 0.53 0.02) = 4.294% kept HG2 PRO 59 - HG3 LYS+ 44 4.545% * 2.0608% (0.87 1.0 1.00 0.27 0.02) = 2.061% kept HG3 LYS+ 60 - HG3 LYS+ 44 4.545% * 0.6517% (0.87 1.0 1.00 0.09 0.02) = 0.652% HG3 PRO 52 - QG2 VAL 65 4.545% * 0.1579% (0.92 1.0 1.00 0.02 0.02) = 0.158% HG3 PRO 52 - HG3 LYS+ 44 4.545% * 0.1472% (0.85 1.0 1.00 0.02 0.02) = 0.147% HG LEU 90 - QG2 VAL 65 4.545% * 0.0642% (0.37 1.0 1.00 0.02 0.02) = 0.064% HG LEU 90 - HG3 LYS+ 44 4.545% * 0.0599% (0.35 1.0 1.00 0.02 0.02) = 0.060% QB ALA 70 - QG2 VAL 65 4.545% * 0.0528% (0.31 1.0 1.00 0.02 0.02) = 0.053% QB ALA 70 - HG3 LYS+ 44 4.545% * 0.0492% (0.29 1.0 1.00 0.02 0.02) = 0.049% HG3 LYS+ 113 - QG2 VAL 65 4.545% * 0.0339% (0.20 1.0 1.00 0.02 0.02) = 0.034% HG3 LYS+ 113 - HG3 LYS+ 44 4.545% * 0.0316% (0.18 1.0 1.00 0.02 0.02) = 0.032% HG3 LYS+ 55 - QG2 VAL 65 4.545% * 0.0264% (0.15 1.0 1.00 0.02 0.02) = 0.026% HG3 ARG+ 22 - QG2 VAL 65 4.545% * 0.0264% (0.15 1.0 1.00 0.02 0.02) = 0.026% HG3 LYS+ 55 - HG3 LYS+ 44 4.545% * 0.0246% (0.14 1.0 1.00 0.02 0.02) = 0.025% HG3 ARG+ 22 - HG3 LYS+ 44 4.545% * 0.0246% (0.14 1.0 1.00 0.02 0.02) = 0.025% Peak 3015 (1.00, 1.01, 23.12 ppm): 1 diagonal assignment: * QG1 VAL 99 - QG1 VAL 99 (0.88) kept Peak 3016 (0.95, 0.95, 23.15 ppm): 1 diagonal assignment: * QG2 VAL 99 - QG2 VAL 99 (0.11) kept Peak 3020 (0.74, 1.01, 23.14 ppm): 8 chemical-shift based assignments, quality = 0.716, support = 0.748, residual support = 0.677: QG2 ILE 101 - QG1 VAL 99 12.500% * 22.8694% (0.36 1.57 2.72) = 22.869% kept QG2 ILE 48 - QG1 VAL 99 12.500% * 21.8953% (0.57 0.95 0.20) = 21.895% kept HG3 LYS+ 66 - QG1 VAL 99 12.500% * 15.2769% (0.97 0.39 0.02) = 15.277% kept QG2 VAL 65 - QG1 VAL 99 12.500% * 14.7596% (0.93 0.40 0.02) = 14.760% kept QD1 ILE 68 - QG1 VAL 99 12.500% * 11.4477% (0.88 0.32 0.02) = 11.448% kept HG3 LYS+ 44 - QG1 VAL 99 12.500% * 7.5941% (0.97 0.19 0.02) = 7.594% kept QG1 VAL 40 - QG1 VAL 99 12.500% * 5.8035% (0.85 0.17 0.02) = 5.804% kept HG LEU 74 - QG1 VAL 99 12.500% * 0.3534% (0.44 0.02 0.02) = 0.353% Peak 3021 (0.74, 0.73, 23.16 ppm): 2 diagonal assignments: * QG2 VAL 65 - QG2 VAL 65 (0.97) kept HG3 LYS+ 44 - HG3 LYS+ 44 (0.88) kept Peak 3023 (0.59, 0.58, 23.10 ppm): 1 diagonal assignment: * QD1 LEU 23 - QD1 LEU 23 (0.27) kept Peak 3024 (0.58, 1.01, 23.13 ppm): 3 chemical-shift based assignments, quality = 0.516, support = 1.24, residual support = 5.55: T QD1 ILE 101 - QG1 VAL 99 33.333% * 74.1839% (0.44 10.00 0.99 2.72) = 74.184% kept * QD1 LEU 23 - QG1 VAL 99 33.333% * 25.5163% (0.75 1.00 2.00 13.83) = 25.516% kept QG2 VAL 122 - QG1 VAL 99 33.333% * 0.2998% (0.88 1.00 0.02 0.02) = 0.300% Peak 3025 (0.57, 0.73, 23.12 ppm): 6 chemical-shift based assignments, quality = 0.463, support = 2.13, residual support = 5.51: T QD1 ILE 101 - QG2 VAL 65 16.667% * 98.3745% (0.47 10.00 2.16 5.60) = 98.375% kept T QD1 ILE 101 - HG3 LYS+ 44 16.667% * 0.9819% (0.47 10.00 0.02 0.02) = 0.982% QG2 VAL 122 - QG2 VAL 65 16.667% * 0.1753% (0.84 1.00 0.02 0.02) = 0.175% QG2 VAL 122 - HG3 LYS+ 44 16.667% * 0.1750% (0.84 1.00 0.02 0.02) = 0.175% QD1 LEU 23 - QG2 VAL 65 16.667% * 0.1468% (0.70 1.00 0.02 0.02) = 0.147% QD1 LEU 23 - HG3 LYS+ 44 16.667% * 0.1465% (0.70 1.00 0.02 0.02) = 0.146% Peak 3026 (0.12, 1.01, 23.14 ppm): 1 chemical-shift based assignment, quality = 0.989, support = 0.264, residual support = 0.264: QG2 VAL 47 - QG1 VAL 99 100.000% *100.0000% (0.99 0.26 0.26) = 100.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 3027 (0.11, 0.95, 23.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3028 (0.11, 0.73, 23.12 ppm): 2 chemical-shift based assignments, quality = 0.838, support = 2.2, residual support = 20.2: * T QG2 VAL 47 - HG3 LYS+ 44 50.000% * 96.0929% (0.84 10.00 2.28 20.97) = 96.093% kept T QG2 VAL 47 - QG2 VAL 65 50.000% * 3.9071% (0.84 10.00 0.08 0.02) = 3.907% kept Peak 3040 (2.49, 5.29, 23.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3045 (7.01, 5.32, 62.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3049 (0.92, 5.26, 62.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3050 (4.16, 5.35, 62.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3051 (4.15, 5.44, 62.52 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3052 (4.13, 5.42, 62.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3053 (4.03, 5.31, 62.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3054 (2.69, 5.30, 62.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3055 (4.17, 5.26, 62.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3056 (0.93, 5.78, 62.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3057 (0.93, 5.67, 62.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3058 (0.93, 5.64, 62.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3059 (0.92, 5.50, 62.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3060 (0.92, 5.26, 62.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3061 (4.32, 5.51, 61.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3062 (4.33, 5.34, 61.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3063 (4.32, 5.37, 61.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3064 (4.32, 5.26, 61.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3065 (2.06, 5.30, 61.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3066 (3.63, 5.31, 61.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3067 (1.34, 5.35, 61.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3068 (5.37, 5.36, 60.03 ppm): 1 diagonal assignment: * HA THR 79 - HA THR 79 (0.93) kept Peak 3069 (4.73, 5.37, 60.01 ppm): 6 chemical-shift based assignments, quality = 0.607, support = 1.89, residual support = 9.88: HA THR 39 - HA THR 79 16.667% * 59.1976% (0.52 2.81 16.04) = 59.198% kept HA LYS+ 20 - HA THR 79 16.667% * 24.0266% (0.89 0.67 1.30) = 24.027% kept HA2 GLY 30 - HA THR 79 16.667% * 10.3325% (0.60 0.43 0.20) = 10.333% kept HA THR 61 - HA THR 79 16.667% * 6.1200% (0.37 0.41 0.80) = 6.120% kept HA VAL 99 - HA THR 79 16.667% * 0.1998% (0.25 0.02 0.02) = 0.200% HA GLN 16 - HA THR 79 16.667% * 0.1236% (0.15 0.02 0.02) = 0.124% Peak 3070 (4.49, 5.37, 60.01 ppm): 9 chemical-shift based assignments, quality = 0.82, support = 3.13, residual support = 27.3: * O HB THR 79 - HA THR 79 11.111% * 98.1788% (0.82 10.0 3.18 27.82) = 98.179% kept HA SER 77 - HA THR 79 11.111% * 1.3939% (0.98 1.0 0.24 0.02) = 1.394% kept HA CYS 123 - HA THR 79 11.111% * 0.1175% (0.98 1.0 0.02 0.02) = 0.118% HA LYS+ 32 - HA THR 79 11.111% * 0.0807% (0.68 1.0 0.02 0.02) = 0.081% HA LYS+ 55 - HA THR 79 11.111% * 0.0665% (0.56 1.0 0.02 0.02) = 0.067% HA MET 126 - HA THR 79 11.111% * 0.0572% (0.48 1.0 0.02 0.02) = 0.057% HA GLN 102 - HA THR 79 11.111% * 0.0363% (0.30 1.0 0.02 0.02) = 0.036% HA ILE 100 - HA THR 79 11.111% * 0.0363% (0.30 1.0 0.02 0.02) = 0.036% HB THR 46 - HA THR 79 11.111% * 0.0327% (0.27 1.0 0.02 0.02) = 0.033% Peak 3071 (1.37, 5.29, 60.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3072 (1.10, 5.36, 60.06 ppm): 4 chemical-shift based assignments, quality = 0.884, support = 3.39, residual support = 27.4: * O QG2 THR 79 - HA THR 79 25.000% * 98.5198% (0.89 10.0 3.43 27.82) = 98.520% kept QG2 THR 95 - HA THR 79 25.000% * 1.4169% (0.37 1.0 0.70 0.02) = 1.417% kept QG2 THR 61 - HA THR 79 25.000% * 0.0481% (0.44 1.0 0.02 0.80) = 0.048% HD3 LYS+ 111 - HA THR 79 25.000% * 0.0152% (0.14 1.0 0.02 0.02) = 0.015% Peak 3073 (8.58, 5.35, 59.83 ppm): 4 chemical-shift based assignments, quality = 0.516, support = 3.38, residual support = 15.8: * O HN VAL 80 - HA THR 79 25.000% * 86.2258% (0.52 10.0 3.51 16.15) = 86.226% kept HN THR 39 - HA THR 79 25.000% * 11.7833% (0.51 1.0 2.80 16.04) = 11.783% kept HN LYS+ 20 - HA THR 79 25.000% * 1.8999% (0.19 1.0 1.22 1.30) = 1.900% kept HN VAL 73 - HA THR 79 25.000% * 0.0909% (0.55 1.0 0.02 0.02) = 0.091% Peak 3074 (5.78, 5.26, 59.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3075 (6.70, 5.31, 59.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3110 (8.97, 5.27, 55.99 ppm): 6 chemical-shift based assignments, quality = 0.319, support = 2.99, residual support = 26.6: * O HN ARG+ 22 - HA PHE 21 16.667% * 54.2390% (0.27 10.0 3.40 20.17) = 54.239% kept O HN PHE 21 - HA PHE 21 16.667% * 30.0996% (0.15 10.0 3.49 49.74) = 30.100% kept HN MET 97 - HA PHE 21 16.667% * 6.4035% (0.85 1.0 0.76 1.80) = 6.404% kept HN ILE 19 - HA PHE 21 16.667% * 5.0715% (0.97 1.0 0.52 10.00) = 5.071% kept HN LEU 17 - HA PHE 21 16.667% * 2.9737% (0.67 1.0 0.44 0.84) = 2.974% kept HN THR 96 - HA PHE 21 16.667% * 1.2128% (0.22 1.0 0.56 0.02) = 1.213% kept Peak 3111 (5.28, 5.27, 56.01 ppm): 1 diagonal assignment: * HA PHE 21 - HA PHE 21 (0.89) kept Peak 3121 (0.93, 5.27, 55.83 ppm): 11 chemical-shift based assignments, quality = 0.526, support = 1.13, residual support = 5.83: QG2 VAL 105 - HA PHE 21 9.091% * 28.4362% (0.62 1.77 1.18) = 28.436% kept QG2 ILE 29 - HA PHE 21 9.091% * 16.2500% (0.40 1.56 30.76) = 16.250% kept QG2 VAL 62 - HA PHE 21 9.091% * 12.8886% (0.50 1.00 0.42) = 12.889% kept HG12 ILE 68 - HA PHE 21 9.091% * 11.4772% (0.54 0.82 0.94) = 11.477% kept QG1 VAL 105 - HA PHE 21 9.091% * 10.7084% (0.62 0.67 1.18) = 10.708% kept QD1 LEU 17 - HA PHE 21 9.091% * 7.2214% (0.62 0.45 0.84) = 7.221% kept QG2 VAL 73 - HA PHE 21 9.091% * 3.7120% (0.42 0.34 0.02) = 3.712% kept HG3 LYS+ 110 - HA PHE 21 9.091% * 3.3493% (0.50 0.26 0.02) = 3.349% kept * QG2 VAL 99 - HA PHE 21 9.091% * 3.1608% (0.17 0.71 4.45) = 3.161% kept QG2 VAL 80 - HA PHE 21 9.091% * 2.7465% (0.42 0.25 0.02) = 2.746% kept HG3 LYS+ 117 - HA PHE 21 9.091% * 0.0497% (0.10 0.02 0.02) = 0.050% Peak 3146 (9.55, 5.29, 55.83 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3147 (9.31, 5.98, 53.57 ppm): 2 chemical-shift based assignments, quality = 0.629, support = 4.91, residual support = 25.2: * O HN ILE 29 - HA ASP- 28 50.000% * 92.4597% (0.66 10.0 5.02 26.71) = 92.460% kept HN LEU 23 - HA ASP- 28 50.000% * 7.5403% (0.29 1.0 3.65 6.17) = 7.540% kept Peak 3148 (5.98, 5.98, 53.57 ppm): 1 diagonal assignment: * HA ASP- 28 - HA ASP- 28 (0.85) kept Peak 3149 (5.20, 5.97, 53.58 ppm): 1 chemical-shift based assignment, quality = 0.677, support = 2.0, residual support = 4.21: * T HA ARG+ 22 - HA ASP- 28 100.000% *100.0000% (0.68 10.00 2.00 4.21) = 100.000% kept Peak 3165 (2.38, 5.97, 53.61 ppm): 6 chemical-shift based assignments, quality = 0.679, support = 3.28, residual support = 35.7: * O T HB3 ASP- 28 - HA ASP- 28 16.667% * 94.1967% (0.68 10.0 10.00 3.45 37.87) = 94.197% kept HG2 PRO 112 - HA ASP- 28 16.667% * 3.1054% (0.53 1.0 1.00 0.85 0.02) = 3.105% kept HB2 LYS+ 78 - HA ASP- 28 16.667% * 2.5631% (0.74 1.0 1.00 0.50 0.47) = 2.563% kept HB3 GLU- 50 - HA ASP- 28 16.667% * 0.0885% (0.64 1.0 1.00 0.02 0.02) = 0.089% HG3 GLU- 50 - HA ASP- 28 16.667% * 0.0284% (0.21 1.0 1.00 0.02 0.02) = 0.028% HB2 GLU- 64 - HA ASP- 28 16.667% * 0.0179% (0.13 1.0 1.00 0.02 0.02) = 0.018% Peak 3166 (2.14, 5.98, 53.56 ppm): 11 chemical-shift based assignments, quality = 0.94, support = 2.91, residual support = 36.3: * O T HB2 ASP- 28 - HA ASP- 28 9.091% * 95.7733% (0.95 10.0 10.00 3.00 37.87) = 95.773% kept HG2 PRO 112 - HA ASP- 28 9.091% * 3.7701% (0.88 1.0 1.00 0.85 0.02) = 3.770% kept HB3 LYS+ 78 - HA ASP- 28 9.091% * 0.0774% (0.77 1.0 1.00 0.02 0.47) = 0.077% HG2 GLU- 45 - HA ASP- 28 9.091% * 0.0774% (0.77 1.0 1.00 0.02 0.02) = 0.077% HB3 GLU- 75 - HA ASP- 28 9.091% * 0.0731% (0.72 1.0 1.00 0.02 0.02) = 0.073% HB VAL 47 - HA ASP- 28 9.091% * 0.0625% (0.62 1.0 1.00 0.02 0.02) = 0.063% HB VAL 105 - HA ASP- 28 9.091% * 0.0586% (0.58 1.0 1.00 0.02 0.02) = 0.059% HB2 GLU- 56 - HA ASP- 28 9.091% * 0.0363% (0.36 1.0 1.00 0.02 0.02) = 0.036% HB VAL 87 - HA ASP- 28 9.091% * 0.0330% (0.33 1.0 1.00 0.02 0.02) = 0.033% HG2 PRO 104 - HA ASP- 28 9.091% * 0.0215% (0.21 1.0 1.00 0.02 0.02) = 0.022% HB3 LEU 43 - HA ASP- 28 9.091% * 0.0169% (0.17 1.0 1.00 0.02 0.02) = 0.017% Peak 3167 (8.88, 5.57, 52.75 ppm): 3 chemical-shift based assignments, quality = 0.469, support = 5.29, residual support = 30.9: * O HN ILE 68 - HA LEU 67 33.333% * 88.4642% (0.43 10.0 5.79 34.86) = 88.464% kept HN ASP- 36 - HA LEU 67 33.333% * 11.5010% (0.76 1.0 1.48 0.59) = 11.501% kept HN GLN 102 - HA LEU 67 33.333% * 0.0348% (0.17 1.0 0.02 0.02) = 0.035% Peak 3168 (5.57, 5.57, 52.76 ppm): 1 diagonal assignment: * HA LEU 67 - HA LEU 67 (0.76) kept Peak 3173 (1.21, 5.56, 52.82 ppm): 3 chemical-shift based assignments, quality = 0.833, support = 6.62, residual support = 112.0: * O T HB2 LEU 67 - HA LEU 67 33.333% * 97.2545% (0.84 10.0 10.00 6.78 114.96) = 97.255% kept HG12 ILE 100 - HA LEU 67 33.333% * 2.6565% (0.52 1.0 1.00 0.88 8.63) = 2.657% kept HB3 ARG+ 22 - HA LEU 67 33.333% * 0.0890% (0.77 1.0 1.00 0.02 0.70) = 0.089% Peak 3174 (0.91, 5.57, 52.81 ppm): 13 chemical-shift based assignments, quality = 0.691, support = 6.18, residual support = 86.0: * QD1 LEU 67 - HA LEU 67 7.692% * 65.3674% (0.79 6.95 114.96) = 65.367% kept HG12 ILE 68 - HA LEU 67 7.692% * 31.0627% (0.50 5.23 34.86) = 31.063% kept QG1 VAL 47 - HA LEU 67 7.692% * 2.4611% (0.74 0.28 0.45) = 2.461% kept HG3 LYS+ 117 - HA LEU 67 7.692% * 0.1984% (0.83 0.02 0.02) = 0.198% QG2 VAL 80 - HA LEU 67 7.692% * 0.1603% (0.67 0.02 0.02) = 0.160% QG2 VAL 87 - HA LEU 67 7.692% * 0.1603% (0.67 0.02 0.02) = 0.160% QG2 VAL 40 - HA LEU 67 7.692% * 0.1603% (0.67 0.02 0.02) = 0.160% HG3 LYS+ 110 - HA LEU 67 7.692% * 0.1357% (0.57 0.02 0.02) = 0.136% QG1 VAL 80 - HA LEU 67 7.692% * 0.0862% (0.36 0.02 0.02) = 0.086% QG2 VAL 105 - HA LEU 67 7.692% * 0.0647% (0.27 0.02 0.02) = 0.065% QD1 LEU 17 - HA LEU 67 7.692% * 0.0583% (0.25 0.02 0.02) = 0.058% QG1 VAL 105 - HA LEU 67 7.692% * 0.0523% (0.22 0.02 0.02) = 0.052% QG2 VAL 125 - HA LEU 67 7.692% * 0.0324% (0.14 0.02 0.02) = 0.032% Peak 3178 (-0.10, 5.28, 51.29 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3201 (0.89, 5.29, 43.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3202 (8.72, 5.32, 43.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3203 (9.28, 5.30, 43.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3204 (7.82, 5.29, 42.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3216 (8.27, 5.30, 41.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3220 (6.60, 5.30, 39.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3221 (7.72, 5.34, 39.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3222 (6.25, 5.28, 39.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3229 (1.99, 5.29, 39.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3231 (4.85, 5.28, 39.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3244 (7.02, 5.34, 34.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3249 (8.28, 5.33, 72.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3250 (4.93, 5.30, 71.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3260 (9.49, 5.29, 29.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3273 (4.73, 5.29, 27.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3274 (9.50, 5.33, 26.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3298 (0.82, 0.82, 21.27 ppm): 2 diagonal assignments: * QG1 VAL 94 - QG1 VAL 94 (0.46) kept QG2 VAL 13 - QG2 VAL 13 (0.05) kept Peak 3300 (0.91, 0.91, 20.89 ppm): 2 diagonal assignments: * HG3 LYS+ 110 - HG3 LYS+ 110 (0.32) kept QG2 VAL 87 - QG2 VAL 87 (0.19) kept Peak 3301 (0.84, 0.83, 20.87 ppm): 1 diagonal assignment: * QG2 VAL 13 - QG2 VAL 13 (0.72) kept Peak 3302 (1.38, 1.37, 18.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: QB ALA 91 - QB ALA 91 Peak unassigned. Peak 3303 (0.86, 0.86, 17.88 ppm): 1 diagonal assignment: * QG2 ILE 100 - QG2 ILE 100 (0.34) kept Peak 3304 (2.06, 0.71, 17.86 ppm): 26 chemical-shift based assignments, quality = 0.809, support = 5.45, residual support = 106.8: * O HB ILE 101 - QG2 ILE 101 3.846% * 83.0141% (0.84 10.0 6.33 128.54) = 83.014% kept HB3 GLU- 75 - QG2 ILE 101 3.846% * 7.0819% (0.81 1.0 1.77 1.34) = 7.082% kept HB VAL 62 - QG2 ILE 101 3.846% * 3.1818% (0.90 1.0 0.71 0.77) = 3.182% kept HG3 PRO 86 - QG2 ILE 101 3.846% * 2.9472% (0.45 1.0 1.31 0.11) = 2.947% kept HG2 GLN 16 - QG2 ILE 101 3.846% * 1.2636% (0.53 1.0 0.48 0.02) = 1.264% kept HG2 PRO 112 - QG2 ILE 101 3.846% * 1.1615% (0.68 1.0 0.34 0.02) = 1.162% kept HB2 GLU- 45 - QG2 ILE 101 3.846% * 0.8603% (0.57 1.0 0.31 0.02) = 0.860% HB3 LYS+ 120 - QG2 ILE 101 3.846% * 0.0672% (0.68 1.0 0.02 0.02) = 0.067% HB VAL 62 - QG2 ILE 68 3.846% * 0.0436% (0.44 1.0 0.02 0.02) = 0.044% HB ILE 101 - QG2 ILE 68 3.846% * 0.0405% (0.41 1.0 0.02 0.10) = 0.040% HB3 GLU- 75 - QG2 ILE 68 3.846% * 0.0390% (0.39 1.0 0.02 0.02) = 0.039% HG2 PRO 112 - QG2 ILE 68 3.846% * 0.0331% (0.33 1.0 0.02 0.02) = 0.033% HB3 LYS+ 120 - QG2 ILE 68 3.846% * 0.0328% (0.33 1.0 0.02 0.02) = 0.033% HD3 LYS+ 110 - QG2 ILE 101 3.846% * 0.0316% (0.32 1.0 0.02 0.77) = 0.032% HB2 GLU- 45 - QG2 ILE 68 3.846% * 0.0274% (0.28 1.0 0.02 0.02) = 0.027% HB2 LYS+ 110 - QG2 ILE 101 3.846% * 0.0257% (0.26 1.0 0.02 0.77) = 0.026% HG2 GLN 16 - QG2 ILE 68 3.846% * 0.0256% (0.26 1.0 0.02 0.02) = 0.026% HG3 PRO 86 - QG2 ILE 68 3.846% * 0.0220% (0.22 1.0 0.02 0.02) = 0.022% HB VAL 125 - QG2 ILE 101 3.846% * 0.0206% (0.21 1.0 0.02 0.02) = 0.021% HB3 LYS+ 110 - QG2 ILE 101 3.846% * 0.0162% (0.16 1.0 0.02 0.77) = 0.016% HD3 LYS+ 110 - QG2 ILE 68 3.846% * 0.0154% (0.16 1.0 0.02 0.02) = 0.015% HB2 LYS+ 110 - QG2 ILE 68 3.846% * 0.0125% (0.13 1.0 0.02 0.02) = 0.013% HB2 MET 118 - QG2 ILE 101 3.846% * 0.0125% (0.13 1.0 0.02 0.02) = 0.013% HB VAL 125 - QG2 ILE 68 3.846% * 0.0100% (0.10 1.0 0.02 0.02) = 0.010% HB3 LYS+ 110 - QG2 ILE 68 3.846% * 0.0079% (0.08 1.0 0.02 0.02) = 0.008% HB2 MET 118 - QG2 ILE 68 3.846% * 0.0061% (0.06 1.0 0.02 0.02) = 0.006% Peak 3305 (9.31, 0.95, 17.31 ppm): 2 chemical-shift based assignments, quality = 0.849, support = 5.24, residual support = 53.2: * HN ILE 29 - QG2 ILE 29 50.000% * 82.7091% (0.92 5.89 61.32) = 82.709% kept HN LEU 23 - QG2 ILE 29 50.000% * 17.2909% (0.52 2.16 14.52) = 17.291% kept Peak 3306 (0.91, 3.93, 56.31 ppm): 13 chemical-shift based assignments, quality = 0.627, support = 2.25, residual support = 8.14: QG2 VAL 40 - HA LEU 74 7.692% * 37.0060% (0.55 3.96 11.48) = 37.006% kept * QD1 LEU 67 - HA LEU 74 7.692% * 21.0621% (0.69 1.79 17.09) = 21.062% kept HG3 LYS+ 117 - HA LEU 74 7.692% * 17.0991% (0.75 1.33 1.02) = 17.099% kept QG1 VAL 47 - HA LEU 74 7.692% * 10.4464% (0.62 0.99 0.36) = 10.446% kept HG12 ILE 68 - HA LEU 74 7.692% * 7.9026% (0.65 0.71 1.07) = 7.903% kept QG2 VAL 80 - HA LEU 74 7.692% * 3.8398% (0.81 0.28 0.02) = 3.840% kept QG1 VAL 80 - HA LEU 74 7.692% * 1.7879% (0.25 0.42 0.02) = 1.788% kept HG3 LYS+ 110 - HA LEU 74 7.692% * 0.2468% (0.72 0.02 0.02) = 0.247% QG2 VAL 87 - HA LEU 74 7.692% * 0.1869% (0.55 0.02 0.02) = 0.187% QG2 VAL 105 - HA LEU 74 7.692% * 0.1382% (0.40 0.02 0.02) = 0.138% QD1 LEU 17 - HA LEU 74 7.692% * 0.1267% (0.37 0.02 0.02) = 0.127% QG1 VAL 105 - HA LEU 74 7.692% * 0.1157% (0.34 0.02 0.02) = 0.116% QG2 VAL 62 - HA LEU 74 7.692% * 0.0417% (0.12 0.02 0.02) = 0.042% Peak 3307 (2.37, 3.93, 56.31 ppm): 7 chemical-shift based assignments, quality = 0.724, support = 1.41, residual support = 1.59: HG3 GLU- 50 - HA LEU 74 14.286% * 41.9009% (0.69 1.98 2.02) = 41.901% kept HB3 GLU- 50 - HA LEU 74 14.286% * 32.4159% (0.85 1.24 2.02) = 32.416% kept HG2 PRO 112 - HA LEU 74 14.286% * 17.8919% (0.68 0.86 0.48) = 17.892% kept HB2 GLU- 64 - HA LEU 74 14.286% * 7.0761% (0.55 0.42 0.02) = 7.076% kept HB2 LYS+ 78 - HA LEU 74 14.286% * 0.3810% (0.62 0.02 0.02) = 0.381% HB3 ASP- 28 - HA LEU 74 14.286% * 0.2487% (0.40 0.02 0.02) = 0.249% HG3 GLU- 56 - HA LEU 74 14.286% * 0.0856% (0.14 0.02 0.02) = 0.086% Peak 3308 (4.00, 0.69, 14.32 ppm): 8 chemical-shift based assignments, quality = 0.881, support = 3.0, residual support = 31.6: * T HB THR 95 - QD1 ILE 19 12.500% * 93.5300% (0.89 10.00 3.14 33.75) = 93.530% kept HA1 GLY 92 - QD1 ILE 19 12.500% * 5.1031% (0.83 1.00 1.17 0.71) = 5.103% kept HA THR 38 - QD1 ILE 19 12.500% * 1.3145% (0.72 1.00 0.35 0.02) = 1.314% kept HA VAL 13 - QD1 ILE 19 12.500% * 0.0356% (0.34 1.00 0.02 0.02) = 0.036% HB THR 95 - QD1 ILE 68 12.500% * 0.0054% (0.05 1.00 0.02 0.02) = 0.005% HA1 GLY 92 - QD1 ILE 68 12.500% * 0.0050% (0.05 1.00 0.02 0.02) = 0.005% HA THR 38 - QD1 ILE 68 12.500% * 0.0044% (0.04 1.00 0.02 0.02) = 0.004% HA VAL 13 - QD1 ILE 68 12.500% * 0.0021% (0.02 1.00 0.02 0.02) = 0.002% Peak 3309 (0.69, 0.69, 14.32 ppm): 1 diagonal assignment: * QD1 ILE 19 - QD1 ILE 19 (0.97) kept Peak 3310 (2.94, 0.80, 12.73 ppm): 3 chemical-shift based assignments, quality = 0.276, support = 0.282, residual support = 0.197: HB2 HIS+ 98 - QD1 ILE 100 33.333% * 76.6224% (0.19 0.36 0.25) = 76.622% kept HE3 LYS+ 60 - QD1 ILE 100 33.333% * 12.9694% (0.60 0.02 0.02) = 12.969% kept HB2 CYS 121 - QD1 ILE 100 33.333% * 10.4082% (0.48 0.02 0.02) = 10.408% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3311 (0.83, 3.28, 50.26 ppm): 8 chemical-shift based assignments, quality = 0.928, support = 3.01, residual support = 5.83: T QD1 ILE 29 - HD2 PRO 52 12.500% * 46.0622% (0.97 10.00 2.59 3.61) = 46.062% kept T QG1 VAL 13 - HD2 PRO 52 12.500% * 46.0622% (0.97 10.00 3.71 8.41) = 46.062% kept QD2 LEU 17 - HD2 PRO 52 12.500% * 3.2403% (0.74 1.00 1.82 2.64) = 3.240% kept QG2 VAL 13 - HD2 PRO 52 12.500% * 2.4911% (0.59 1.00 1.77 8.41) = 2.491% kept HG2 LYS+ 117 - HD2 PRO 52 12.500% * 0.8018% (0.85 1.00 0.40 0.02) = 0.802% QG1 VAL 94 - HD2 PRO 52 12.500% * 0.7563% (0.92 1.00 0.34 0.02) = 0.756% QD2 LEU 67 - HD2 PRO 52 12.500% * 0.5561% (0.37 1.00 0.64 0.14) = 0.556% QD2 LEU 90 - HD2 PRO 52 12.500% * 0.0301% (0.63 1.00 0.02 2.38) = 0.030% Peak 3312 (0.84, 1.88, 50.24 ppm): 9 chemical-shift based assignments, quality = 0.812, support = 2.51, residual support = 5.66: QG1 VAL 13 - HD3 PRO 52 11.111% * 37.6153% (0.89 3.52 8.41) = 37.615% kept QD1 ILE 29 - HD3 PRO 52 11.111% * 27.5208% (0.89 2.58 3.61) = 27.521% kept QG2 VAL 13 - HD3 PRO 52 11.111% * 14.4090% (0.77 1.56 8.41) = 14.409% kept QD2 LEU 17 - HD3 PRO 52 11.111% * 11.0765% (0.49 1.90 2.64) = 11.077% kept HG2 LYS+ 117 - HD3 PRO 52 11.111% * 4.2311% (0.92 0.39 0.02) = 4.231% kept QG1 VAL 94 - HD3 PRO 52 11.111% * 3.2395% (0.71 0.38 0.02) = 3.239% kept QD2 LEU 67 - HD3 PRO 52 11.111% * 1.7828% (0.18 0.81 0.14) = 1.783% kept QD2 LEU 90 - HD3 PRO 52 11.111% * 0.0909% (0.38 0.02 2.38) = 0.091% QD1 LEU 90 - HD3 PRO 52 11.111% * 0.0341% (0.14 0.02 2.38) = 0.034% Peak 3313 (1.97, 3.61, 50.61 ppm): 39 chemical-shift based assignments, quality = 0.314, support = 2.59, residual support = 26.1: * O HG3 PRO 104 - HD2 PRO 104 2.564% * 41.8515% (0.37 10.0 1.00 2.32 38.93) = 41.851% kept T HG3 PRO 104 - HD2 PRO 112 2.564% * 34.7651% (0.36 1.0 10.00 1.68 3.72) = 34.765% kept O T HG2 PRO 112 - HD2 PRO 112 2.564% * 18.9406% (0.17 10.0 10.00 5.00 39.48) = 18.941% kept O T HG3 PRO 31 - HD2 PRO 31 2.564% * 2.9529% (0.03 10.0 10.00 2.81 34.96) = 2.953% kept T HG3 PRO 116 - HD2 PRO 104 2.564% * 0.2561% (0.23 1.0 10.00 0.02 0.02) = 0.256% T HG3 PRO 116 - HD2 PRO 112 2.564% * 0.2529% (0.22 1.0 10.00 0.02 0.02) = 0.253% T HG2 PRO 112 - HD2 PRO 104 2.564% * 0.1918% (0.17 1.0 10.00 0.02 3.72) = 0.192% T HG3 PRO 31 - HD2 PRO 104 2.564% * 0.1303% (0.12 1.0 10.00 0.02 0.02) = 0.130% T HG3 PRO 116 - HD2 PRO 31 2.564% * 0.0580% (0.05 1.0 10.00 0.02 0.02) = 0.058% T HG2 PRO 112 - HD2 PRO 31 2.564% * 0.0435% (0.04 1.0 10.00 0.02 0.02) = 0.043% HB VAL 73 - HD2 PRO 104 2.564% * 0.0422% (0.37 1.0 1.00 0.02 0.02) = 0.042% HB VAL 73 - HD2 PRO 112 2.564% * 0.0417% (0.37 1.0 1.00 0.02 0.41) = 0.042% HB3 GLU- 56 - HD2 PRO 104 2.564% * 0.0399% (0.35 1.0 1.00 0.02 0.02) = 0.040% HB3 GLU- 56 - HD2 PRO 112 2.564% * 0.0394% (0.35 1.0 1.00 0.02 0.14) = 0.039% HB2 PRO 86 - HD2 PRO 104 2.564% * 0.0338% (0.30 1.0 1.00 0.02 0.02) = 0.034% HB2 PRO 86 - HD2 PRO 112 2.564% * 0.0334% (0.29 1.0 1.00 0.02 0.02) = 0.033% HB3 GLU- 109 - HD2 PRO 104 2.564% * 0.0323% (0.28 1.0 1.00 0.02 0.02) = 0.032% HB3 GLU- 109 - HD2 PRO 112 2.564% * 0.0319% (0.28 1.0 1.00 0.02 0.02) = 0.032% HB VAL 13 - HD2 PRO 104 2.564% * 0.0273% (0.24 1.0 1.00 0.02 0.02) = 0.027% HB VAL 13 - HD2 PRO 112 2.564% * 0.0270% (0.24 1.0 1.00 0.02 0.02) = 0.027% HB2 LYS+ 108 - HD2 PRO 104 2.564% * 0.0256% (0.23 1.0 1.00 0.02 0.02) = 0.026% HB2 LYS+ 108 - HD2 PRO 112 2.564% * 0.0253% (0.22 1.0 1.00 0.02 0.02) = 0.025% HB2 PRO 35 - HD2 PRO 104 2.564% * 0.0222% (0.20 1.0 1.00 0.02 0.02) = 0.022% HB2 PRO 35 - HD2 PRO 112 2.564% * 0.0219% (0.19 1.0 1.00 0.02 1.64) = 0.022% HG3 PRO 31 - HD2 PRO 112 2.564% * 0.0129% (0.11 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 55 - HD2 PRO 104 2.564% * 0.0117% (0.10 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 55 - HD2 PRO 112 2.564% * 0.0116% (0.10 1.0 1.00 0.02 0.68) = 0.012% HB VAL 73 - HD2 PRO 31 2.564% * 0.0096% (0.08 1.0 1.00 0.02 0.02) = 0.010% HG3 PRO 104 - HD2 PRO 31 2.564% * 0.0095% (0.08 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 56 - HD2 PRO 31 2.564% * 0.0091% (0.08 1.0 1.00 0.02 0.02) = 0.009% HB2 PRO 86 - HD2 PRO 31 2.564% * 0.0077% (0.07 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 109 - HD2 PRO 31 2.564% * 0.0073% (0.06 1.0 1.00 0.02 0.02) = 0.007% HB2 GLU- 75 - HD2 PRO 104 2.564% * 0.0065% (0.06 1.0 1.00 0.02 0.02) = 0.007% HB2 GLU- 75 - HD2 PRO 112 2.564% * 0.0064% (0.06 1.0 1.00 0.02 0.30) = 0.006% HB VAL 13 - HD2 PRO 31 2.564% * 0.0062% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 108 - HD2 PRO 31 2.564% * 0.0058% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB2 PRO 35 - HD2 PRO 31 2.564% * 0.0050% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB3 LYS+ 55 - HD2 PRO 31 2.564% * 0.0027% (0.02 1.0 1.00 0.02 0.02) = 0.003% HB2 GLU- 75 - HD2 PRO 31 2.564% * 0.0015% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 3314 (3.60, 3.59, 50.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3316 (2.23, 1.75, 47.61 ppm): 14 chemical-shift based assignments, quality = 0.488, support = 2.93, residual support = 16.4: * O T HA1 GLY 58 - HD3 PRO 59 7.143% * 91.2587% (0.48 10.0 10.00 3.16 17.89) = 91.259% kept HB2 GLU- 50 - HD3 PRO 59 7.143% * 4.5096% (0.56 1.0 1.00 0.86 0.83) = 4.510% kept HG3 GLU- 109 - HD3 PRO 59 7.143% * 1.8985% (0.66 1.0 1.00 0.30 0.02) = 1.899% kept HG3 GLN 102 - HD3 PRO 59 7.143% * 1.4383% (0.64 1.0 1.00 0.24 0.02) = 1.438% kept HG2 PRO 112 - HD3 PRO 59 7.143% * 0.1256% (0.66 1.0 1.00 0.02 0.02) = 0.126% HB2 PRO 52 - HD3 PRO 59 7.143% * 0.1254% (0.66 1.0 1.00 0.02 0.02) = 0.125% HG3 GLU- 18 - HD3 PRO 59 7.143% * 0.1127% (0.60 1.0 1.00 0.02 0.02) = 0.113% HB3 GLU- 45 - HD3 PRO 59 7.143% * 0.1006% (0.53 1.0 1.00 0.02 0.02) = 0.101% HG3 GLN 16 - HD3 PRO 59 7.143% * 0.0913% (0.48 1.0 1.00 0.02 0.55) = 0.091% HG3 MET 97 - HD3 PRO 59 7.143% * 0.0913% (0.48 1.0 1.00 0.02 0.02) = 0.091% HG3 GLU- 10 - HD3 PRO 59 7.143% * 0.0863% (0.46 1.0 1.00 0.02 0.02) = 0.086% HG3 MET 126 - HD3 PRO 59 7.143% * 0.0762% (0.40 1.0 1.00 0.02 0.02) = 0.076% HB3 ASN 15 - HD3 PRO 59 7.143% * 0.0661% (0.35 1.0 1.00 0.02 0.02) = 0.066% HG3 GLU- 107 - HD3 PRO 59 7.143% * 0.0194% (0.10 1.0 1.00 0.02 0.02) = 0.019% Peak 3317 (2.80, 1.86, 47.63 ppm): 6 chemical-shift based assignments, quality = 0.745, support = 2.42, residual support = 17.8: * O HA2 GLY 58 - HD2 PRO 59 16.667% * 99.6643% (0.75 10.0 2.43 17.89) = 99.664% kept HE3 LYS+ 32 - HD2 PRO 59 16.667% * 0.0986% (0.74 1.0 0.02 0.02) = 0.099% HE3 LYS+ 111 - HD2 PRO 59 16.667% * 0.0872% (0.65 1.0 0.02 0.02) = 0.087% HB3 ASN 89 - HD2 PRO 59 16.667% * 0.0730% (0.55 1.0 0.02 0.02) = 0.073% HB2 ASN 119 - HD2 PRO 59 16.667% * 0.0489% (0.37 1.0 0.02 0.02) = 0.049% HB3 ASN 119 - HD2 PRO 59 16.667% * 0.0280% (0.21 1.0 0.02 0.02) = 0.028% Peak 3323 (0.46, 1.47, 46.84 ppm): 2 chemical-shift based assignments, quality = 0.7, support = 3.5, residual support = 13.7: * T QD2 LEU 74 - HB3 LEU 67 50.000% * 74.0467% (0.83 10.00 4.14 17.09) = 74.047% kept T QD2 LEU 43 - HB3 LEU 67 50.000% * 25.9533% (0.34 10.00 1.69 3.85) = 25.953% kept Peak 3324 (0.46, 1.21, 46.82 ppm): 2 chemical-shift based assignments, quality = 0.729, support = 1.64, residual support = 12.6: * T QD2 LEU 74 - HB2 LEU 67 50.000% * 66.3571% (0.87 10.00 1.66 17.09) = 66.357% kept T QD2 LEU 43 - HB2 LEU 67 50.000% * 33.6429% (0.46 10.00 1.60 3.85) = 33.643% kept Peak 3325 (5.58, 1.21, 46.81 ppm): 1 chemical-shift based assignment, quality = 0.854, support = 6.78, residual support = 115.0: * O T HA LEU 67 - HB2 LEU 67 100.000% *100.0000% (0.85 10.0 10.00 6.78 114.96) = 100.000% kept Peak 3326 (5.58, 1.47, 46.81 ppm): 1 chemical-shift based assignment, quality = 0.792, support = 6.17, residual support = 115.0: * O T HA LEU 67 - HB3 LEU 67 100.000% *100.0000% (0.79 10.0 10.00 6.17 114.96) = 100.000% kept Peak 3327 (1.39, 2.13, 45.41 ppm): 11 chemical-shift based assignments, quality = 0.768, support = 1.6, residual support = 2.62: * HD3 LYS+ 20 - HB2 ASP- 28 9.091% * 45.3785% (0.84 2.48 4.62) = 45.379% kept HG13 ILE 68 - HB2 ASP- 28 9.091% * 18.2020% (0.91 0.92 0.54) = 18.202% kept QG2 THR 39 - HB2 ASP- 28 9.091% * 15.5436% (0.78 0.91 0.43) = 15.544% kept HG2 LYS+ 78 - HB2 ASP- 28 9.091% * 10.9209% (0.61 0.83 0.47) = 10.921% kept HB3 LYS+ 20 - HB2 ASP- 28 9.091% * 6.5050% (0.29 1.03 4.62) = 6.505% kept HG13 ILE 100 - HB2 ASP- 28 9.091% * 1.8148% (0.53 0.16 0.02) = 1.815% kept HG LEU 67 - HB2 ASP- 28 9.091% * 1.0540% (0.49 0.10 0.02) = 1.054% kept QB ALA 93 - HB2 ASP- 28 9.091% * 0.2311% (0.53 0.02 0.02) = 0.231% QB ALA 11 - HB2 ASP- 28 9.091% * 0.1392% (0.32 0.02 0.02) = 0.139% QB ALA 37 - HB2 ASP- 28 9.091% * 0.1392% (0.32 0.02 0.02) = 0.139% HB3 LEU 17 - HB2 ASP- 28 9.091% * 0.0715% (0.16 0.02 0.02) = 0.071% Peak 3328 (1.02, 2.13, 45.41 ppm): 2 chemical-shift based assignments, quality = 0.547, support = 1.42, residual support = 3.17: * HG3 LYS+ 20 - HB2 ASP- 28 50.000% * 65.2602% (0.42 1.89 4.62) = 65.260% kept QG1 VAL 99 - HB2 ASP- 28 50.000% * 34.7398% (0.78 0.54 0.44) = 34.740% kept Peak 3329 (1.39, 2.38, 45.41 ppm): 11 chemical-shift based assignments, quality = 0.766, support = 1.59, residual support = 2.62: * HD3 LYS+ 20 - HB3 ASP- 28 9.091% * 44.9286% (0.84 2.46 4.62) = 44.929% kept HG13 ILE 68 - HB3 ASP- 28 9.091% * 18.3333% (0.90 0.93 0.54) = 18.333% kept QG2 THR 39 - HB3 ASP- 28 9.091% * 15.6409% (0.78 0.92 0.43) = 15.641% kept HG2 LYS+ 78 - HB3 ASP- 28 9.091% * 11.0251% (0.61 0.84 0.47) = 11.025% kept HB3 LYS+ 20 - HB3 ASP- 28 9.091% * 6.8941% (0.29 1.10 4.62) = 6.894% kept HG13 ILE 100 - HB3 ASP- 28 9.091% * 1.5656% (0.53 0.14 0.02) = 1.566% kept HG LEU 67 - HB3 ASP- 28 9.091% * 1.0331% (0.49 0.10 0.02) = 1.033% kept QB ALA 93 - HB3 ASP- 28 9.091% * 0.2304% (0.53 0.02 0.02) = 0.230% QB ALA 11 - HB3 ASP- 28 9.091% * 0.1388% (0.32 0.02 0.02) = 0.139% QB ALA 37 - HB3 ASP- 28 9.091% * 0.1388% (0.32 0.02 0.02) = 0.139% HB3 LEU 17 - HB3 ASP- 28 9.091% * 0.0713% (0.16 0.02 0.02) = 0.071% Peak 3330 (1.02, 2.38, 45.41 ppm): 2 chemical-shift based assignments, quality = 0.627, support = 1.57, residual support = 3.66: * HG3 LYS+ 20 - HB3 ASP- 28 50.000% * 77.0968% (0.64 1.85 4.62) = 77.097% kept QG1 VAL 99 - HB3 ASP- 28 50.000% * 22.9032% (0.57 0.62 0.44) = 22.903% kept Peak 3331 (0.68, 3.46, 45.57 ppm): 9 chemical-shift based assignments, quality = 0.572, support = 1.73, residual support = 2.21: * T QG2 ILE 68 - HA1 GLY 71 11.111% * 55.0847% (0.63 10.00 1.92 2.95) = 55.085% kept T QG2 ILE 101 - HA1 GLY 71 11.111% * 37.3153% (0.50 10.00 1.64 1.48) = 37.315% kept QG2 ILE 48 - HA1 GLY 71 11.111% * 2.9846% (0.64 1.00 1.02 0.78) = 2.985% kept QG1 VAL 62 - HA1 GLY 71 11.111% * 2.1119% (0.49 1.00 0.95 0.24) = 2.112% kept HG12 ILE 19 - HA1 GLY 71 11.111% * 1.1203% (0.64 1.00 0.39 0.51) = 1.120% kept QD1 ILE 19 - HA1 GLY 71 11.111% * 0.8194% (0.61 1.00 0.30 0.51) = 0.819% T QG1 VAL 65 - HA1 GLY 71 11.111% * 0.3072% (0.34 10.00 0.02 0.02) = 0.307% T QG2 THR 96 - HA1 GLY 71 11.111% * 0.1992% (0.22 10.00 0.02 0.02) = 0.199% QG2 VAL 94 - HA1 GLY 71 11.111% * 0.0572% (0.63 1.00 0.02 0.02) = 0.057% Peak 3332 (3.53, 3.53, 45.27 ppm): 1 diagonal assignment: * HA1 GLY 26 - HA1 GLY 26 (0.82) kept Peak 3333 (1.60, 1.16, 41.76 ppm): 22 chemical-shift based assignments, quality = 0.156, support = 4.38, residual support = 157.8: * O T HG LEU 43 - HB2 LEU 43 4.545% * 87.7402% (0.15 10.0 10.00 4.97 179.85) = 87.740% kept T HB3 PRO 52 - HB2 LEU 74 4.545% * 3.1533% (0.55 1.0 10.00 0.02 0.14) = 3.153% kept HG LEU 17 - HB2 LEU 74 4.545% * 1.7736% (0.11 1.0 1.00 0.56 0.02) = 1.774% kept HB VAL 122 - HB2 LEU 74 4.545% * 1.2942% (0.11 1.0 1.00 0.41 0.02) = 1.294% kept HG LEU 17 - HB2 LEU 43 4.545% * 1.0896% (0.15 1.0 1.00 0.25 0.02) = 1.090% kept HB ILE 68 - HB2 LEU 43 4.545% * 0.6730% (0.15 1.0 1.00 0.15 0.61) = 0.673% T HG LEU 43 - HB2 LEU 74 4.545% * 0.6366% (0.11 1.0 10.00 0.02 1.31) = 0.637% HD3 LYS+ 32 - HB2 LEU 43 4.545% * 0.4835% (0.84 1.0 1.00 0.02 0.02) = 0.483% HB3 PRO 52 - HB2 LEU 43 4.545% * 0.4346% (0.76 1.0 1.00 0.02 0.02) = 0.435% HB3 LYS+ 32 - HB2 LEU 43 4.545% * 0.4185% (0.73 1.0 1.00 0.02 0.02) = 0.418% HG2 LYS+ 110 - HB2 LEU 43 4.545% * 0.3638% (0.63 1.0 1.00 0.02 0.11) = 0.364% HD3 LYS+ 32 - HB2 LEU 74 4.545% * 0.3508% (0.61 1.0 1.00 0.02 0.57) = 0.351% HB ILE 68 - HB2 LEU 74 4.545% * 0.3041% (0.11 1.0 1.00 0.10 1.07) = 0.304% HB3 LYS+ 32 - HB2 LEU 74 4.545% * 0.3036% (0.53 1.0 1.00 0.02 0.57) = 0.304% HG2 LYS+ 110 - HB2 LEU 74 4.545% * 0.2640% (0.46 1.0 1.00 0.02 0.02) = 0.264% HG3 LYS+ 78 - HB2 LEU 43 4.545% * 0.1880% (0.33 1.0 1.00 0.02 0.02) = 0.188% HG3 LYS+ 78 - HB2 LEU 74 4.545% * 0.1364% (0.24 1.0 1.00 0.02 0.02) = 0.136% HB ILE 19 - HB2 LEU 43 4.545% * 0.0991% (0.17 1.0 1.00 0.02 0.02) = 0.099% HB VAL 122 - HB2 LEU 43 4.545% * 0.0877% (0.15 1.0 1.00 0.02 0.02) = 0.088% HG12 ILE 101 - HB2 LEU 43 4.545% * 0.0773% (0.13 1.0 1.00 0.02 0.02) = 0.077% HB ILE 19 - HB2 LEU 74 4.545% * 0.0719% (0.13 1.0 1.00 0.02 0.02) = 0.072% HG12 ILE 101 - HB2 LEU 74 4.545% * 0.0561% (0.10 1.0 1.00 0.02 0.02) = 0.056% Peak 3334 (0.46, 1.28, 41.94 ppm): 2 chemical-shift based assignments, quality = 0.82, support = 5.15, residual support = 158.9: * O QD2 LEU 74 - HB3 LEU 74 50.000% * 99.9382% (0.82 10.0 5.15 158.96) = 99.938% kept QD2 LEU 43 - HB3 LEU 74 50.000% * 0.0618% (0.51 1.0 0.02 1.31) = 0.062% Peak 3335 (-0.04, 1.28, 41.94 ppm): 1 chemical-shift based assignment, quality = 0.808, support = 5.48, residual support = 159.0: * O QD1 LEU 74 - HB3 LEU 74 100.000% *100.0000% (0.81 10.0 5.48 158.96) = 100.000% kept Peak 3336 (6.90, 1.92, 41.19 ppm): 6 chemical-shift based assignments, quality = 0.511, support = 3.6, residual support = 22.3: * QD PHE 21 - HB ILE 29 16.667% * 71.0964% (0.51 4.65 30.76) = 71.096% kept HD22 ASN 15 - HB ILE 29 16.667% * 13.3975% (0.85 0.52 0.36) = 13.398% kept QD PHE 21 - HB2 LEU 23 16.667% * 7.7952% (0.12 2.17 3.50) = 7.795% kept HD21 ASN 119 - HB ILE 29 16.667% * 7.5430% (0.34 0.74 1.17) = 7.543% kept HD22 ASN 15 - HB2 LEU 23 16.667% * 0.1201% (0.20 0.02 0.02) = 0.120% HD21 ASN 119 - HB2 LEU 23 16.667% * 0.0477% (0.08 0.02 0.02) = 0.048% Peak 3337 (5.29, 2.74, 39.91 ppm): 1 chemical-shift based assignment, quality = 0.142, support = 4.0, residual support = 49.7: * O HA PHE 21 - HB3 PHE 21 100.000% *100.0000% (0.14 10.0 4.00 49.74) = 100.000% kept Peak 3338 (5.29, 2.97, 39.90 ppm): 1 chemical-shift based assignment, quality = 0.102, support = 3.38, residual support = 49.7: * O HA PHE 21 - HB2 PHE 21 100.000% *100.0000% (0.10 10.0 3.38 49.74) = 100.000% kept Peak 3339 (7.43, 2.28, 37.56 ppm): 2 chemical-shift based assignments, quality = 0.225, support = 3.57, residual support = 33.0: * HN GLU- 64 - HG2 GLU- 64 50.000% * 56.5366% (0.08 5.63 57.09) = 56.537% kept HN THR 61 - HG2 GLU- 64 50.000% * 43.4634% (0.41 0.89 1.68) = 43.463% kept Peak 3340 (7.42, 2.02, 31.82 ppm): 4 chemical-shift based assignments, quality = 0.396, support = 4.79, residual support = 43.2: * O HN GLU- 64 - HB3 GLU- 64 25.000% * 74.9771% (0.25 10.0 5.92 57.09) = 74.977% kept HN THR 61 - HB3 GLU- 64 25.000% * 21.4752% (0.92 1.0 1.55 1.68) = 21.475% kept HN THR 61 - HB3 GLU- 75 25.000% * 3.5172% (0.37 1.0 0.63 0.02) = 3.517% kept HN GLU- 64 - HB3 GLU- 75 25.000% * 0.0304% (0.10 1.0 0.02 0.02) = 0.030% Peak 3341 (8.10, 1.95, 31.75 ppm): 12 chemical-shift based assignments, quality = 0.331, support = 1.91, residual support = 22.8: O HN GLU- 75 - HB2 GLU- 75 8.333% * 94.6119% (0.33 10.0 2.00 24.11) = 94.612% kept HN GLU- 75 - HB VAL 73 8.333% * 1.9589% (0.17 1.0 0.80 0.02) = 1.959% kept HN VAL 122 - HB2 GLU- 75 8.333% * 1.1925% (0.87 1.0 0.10 0.02) = 1.192% kept HN CYS 121 - HB2 GLU- 75 8.333% * 1.0340% (0.40 1.0 0.18 0.02) = 1.034% kept HN VAL 122 - HB VAL 73 8.333% * 0.6132% (0.45 1.0 0.10 0.02) = 0.613% HN SER 88 - HB2 GLU- 75 8.333% * 0.1429% (0.50 1.0 0.02 0.02) = 0.143% HN LYS+ 110 - HB2 GLU- 75 8.333% * 0.1132% (0.40 1.0 0.02 0.02) = 0.113% HN GLY 26 - HB2 GLU- 75 8.333% * 0.0947% (0.33 1.0 0.02 0.02) = 0.095% HN SER 88 - HB VAL 73 8.333% * 0.0735% (0.26 1.0 0.02 0.02) = 0.073% HN LYS+ 110 - HB VAL 73 8.333% * 0.0582% (0.20 1.0 0.02 0.02) = 0.058% HN CYS 121 - HB VAL 73 8.333% * 0.0582% (0.20 1.0 0.02 0.02) = 0.058% HN GLY 26 - HB VAL 73 8.333% * 0.0487% (0.17 1.0 0.02 0.02) = 0.049% Reference assignment not found: HN GLU- 75 - HB3 GLU- 75 Peak 3342 (4.24, 2.02, 30.22 ppm): 64 chemical-shift based assignments, quality = 0.266, support = 2.54, residual support = 7.6: O HA GLU- 10 - HB3 GLU- 10 1.563% * 44.3534% (0.41 10.0 1.00 3.54 9.88) = 44.353% kept T HA LYS+ 108 - HB3 GLU- 107 1.563% * 23.3937% (0.22 1.0 10.00 1.96 5.96) = 23.394% kept O T HA GLU- 107 - HB3 GLU- 107 1.563% * 13.5252% (0.13 10.0 10.00 2.46 6.21) = 13.525% kept O T HA GLU- 75 - HB3 GLU- 75 1.563% * 3.7316% (0.03 10.0 10.00 2.97 24.11) = 3.732% kept HA ALA 11 - HB3 GLU- 10 1.563% * 2.7839% (0.28 1.0 1.00 1.83 2.95) = 2.784% kept T HA GLU- 12 - HB2 HIS+ 14 1.563% * 2.0026% (0.13 1.0 10.00 0.29 0.02) = 2.003% kept T HB3 SER 49 - HB3 GLU- 107 1.563% * 1.8424% (0.09 1.0 10.00 0.38 0.02) = 1.842% kept T HA GLU- 10 - HB3 GLU- 75 1.563% * 1.6503% (0.12 1.0 10.00 0.25 0.02) = 1.650% kept T HB3 SER 49 - HB3 GLU- 75 1.563% * 0.7226% (0.05 1.0 10.00 0.26 0.02) = 0.723% T HA GLU- 56 - HB3 GLU- 75 1.563% * 0.5061% (0.02 1.0 10.00 0.49 0.02) = 0.506% T HA PRO 59 - HB3 GLU- 10 1.563% * 0.3978% (0.37 1.0 10.00 0.02 0.02) = 0.398% T HA SER 49 - HB3 GLU- 10 1.563% * 0.3978% (0.37 1.0 10.00 0.02 0.02) = 0.398% HA ASN 76 - HB3 GLU- 75 1.563% * 0.3891% (0.08 1.0 1.00 0.96 0.02) = 0.389% T HA GLU- 10 - HB2 HIS+ 14 1.563% * 0.3327% (0.31 1.0 10.00 0.02 0.02) = 0.333% T HA LYS+ 108 - HB2 HIS+ 14 1.563% * 0.3327% (0.31 1.0 10.00 0.02 0.02) = 0.333% T HA PRO 59 - HB2 HIS+ 14 1.563% * 0.2984% (0.28 1.0 10.00 0.02 0.02) = 0.298% T HA SER 49 - HB2 HIS+ 14 1.563% * 0.2984% (0.28 1.0 10.00 0.02 0.02) = 0.298% HA ALA 11 - HB3 GLU- 75 1.563% * 0.2483% (0.09 1.0 1.00 0.54 0.02) = 0.248% T HA GLU- 10 - HB3 GLU- 107 1.563% * 0.2389% (0.22 1.0 10.00 0.02 0.02) = 0.239% T HA PRO 59 - HB3 GLU- 107 1.563% * 0.2142% (0.20 1.0 10.00 0.02 0.02) = 0.214% T HA SER 49 - HB3 GLU- 107 1.563% * 0.2142% (0.20 1.0 10.00 0.02 0.02) = 0.214% T HA GLU- 107 - HB2 HIS+ 14 1.563% * 0.1884% (0.17 1.0 10.00 0.02 0.02) = 0.188% T HB3 SER 49 - HB3 GLU- 10 1.563% * 0.1823% (0.17 1.0 10.00 0.02 0.02) = 0.182% T HB3 SER 49 - HB2 HIS+ 14 1.563% * 0.1368% (0.13 1.0 10.00 0.02 0.02) = 0.137% T HA LYS+ 108 - HB3 GLU- 75 1.563% * 0.1342% (0.12 1.0 10.00 0.02 0.02) = 0.134% T HA PRO 59 - HB3 GLU- 75 1.563% * 0.1204% (0.11 1.0 10.00 0.02 0.22) = 0.120% T HA SER 49 - HB3 GLU- 75 1.563% * 0.1204% (0.11 1.0 10.00 0.02 0.02) = 0.120% T HA GLU- 12 - HB3 GLU- 107 1.563% * 0.0982% (0.09 1.0 10.00 0.02 0.02) = 0.098% T HA GLU- 75 - HB2 HIS+ 14 1.563% * 0.0925% (0.09 1.0 10.00 0.02 0.13) = 0.093% T HA GLU- 64 - HB2 HIS+ 14 1.563% * 0.0830% (0.08 1.0 10.00 0.02 0.02) = 0.083% T HA GLU- 107 - HB3 GLU- 75 1.563% * 0.0760% (0.07 1.0 10.00 0.02 0.02) = 0.076% T HA GLU- 75 - HB3 GLU- 107 1.563% * 0.0664% (0.06 1.0 10.00 0.02 0.02) = 0.066% T HA GLU- 64 - HB3 GLU- 107 1.563% * 0.0596% (0.06 1.0 10.00 0.02 0.02) = 0.060% T HA GLU- 12 - HB3 GLU- 75 1.563% * 0.0552% (0.05 1.0 10.00 0.02 0.02) = 0.055% T HA GLU- 56 - HB2 HIS+ 14 1.563% * 0.0513% (0.05 1.0 10.00 0.02 0.02) = 0.051% HA LYS+ 108 - HB3 GLU- 10 1.563% * 0.0444% (0.41 1.0 1.00 0.02 0.02) = 0.044% HA GLU- 54 - HB3 GLU- 10 1.563% * 0.0444% (0.41 1.0 1.00 0.02 0.02) = 0.044% HA ALA 42 - HB3 GLU- 10 1.563% * 0.0420% (0.39 1.0 1.00 0.02 0.02) = 0.042% T HA GLU- 56 - HB3 GLU- 107 1.563% * 0.0369% (0.03 1.0 10.00 0.02 0.02) = 0.037% T HA GLU- 64 - HB3 GLU- 75 1.563% * 0.0335% (0.03 1.0 10.00 0.02 0.02) = 0.033% HA GLU- 54 - HB2 HIS+ 14 1.563% * 0.0333% (0.31 1.0 1.00 0.02 0.02) = 0.033% HA GLU- 109 - HB3 GLU- 10 1.563% * 0.0322% (0.30 1.0 1.00 0.02 0.02) = 0.032% HA ALA 42 - HB2 HIS+ 14 1.563% * 0.0315% (0.29 1.0 1.00 0.02 0.02) = 0.031% HA ASN 76 - HB3 GLU- 10 1.563% * 0.0269% (0.25 1.0 1.00 0.02 0.02) = 0.027% HA GLU- 107 - HB3 GLU- 10 1.563% * 0.0251% (0.23 1.0 1.00 0.02 0.02) = 0.025% HA ASN 119 - HB3 GLU- 10 1.563% * 0.0251% (0.23 1.0 1.00 0.02 0.02) = 0.025% HA GLU- 109 - HB2 HIS+ 14 1.563% * 0.0242% (0.22 1.0 1.00 0.02 0.02) = 0.024% HA GLU- 54 - HB3 GLU- 107 1.563% * 0.0239% (0.22 1.0 1.00 0.02 0.02) = 0.024% HA ALA 11 - HB2 HIS+ 14 1.563% * 0.0229% (0.21 1.0 1.00 0.02 0.02) = 0.023% HA ALA 42 - HB3 GLU- 107 1.563% * 0.0226% (0.21 1.0 1.00 0.02 0.02) = 0.023% HA ASN 76 - HB2 HIS+ 14 1.563% * 0.0202% (0.19 1.0 1.00 0.02 0.02) = 0.020% HA ASN 119 - HB2 HIS+ 14 1.563% * 0.0188% (0.17 1.0 1.00 0.02 0.02) = 0.019% HA GLU- 12 - HB3 GLU- 10 1.563% * 0.0182% (0.17 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 109 - HB3 GLU- 107 1.563% * 0.0173% (0.16 1.0 1.00 0.02 0.02) = 0.017% HA ALA 11 - HB3 GLU- 107 1.563% * 0.0164% (0.15 1.0 1.00 0.02 0.02) = 0.016% HA ASN 76 - HB3 GLU- 107 1.563% * 0.0145% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA ASN 119 - HB3 GLU- 107 1.563% * 0.0135% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA GLU- 54 - HB3 GLU- 75 1.563% * 0.0134% (0.12 1.0 1.00 0.02 0.02) = 0.013% HA ALA 42 - HB3 GLU- 75 1.563% * 0.0127% (0.12 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 75 - HB3 GLU- 10 1.563% * 0.0123% (0.11 1.0 1.00 0.02 0.02) = 0.012% HA GLU- 64 - HB3 GLU- 10 1.563% * 0.0111% (0.10 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 109 - HB3 GLU- 75 1.563% * 0.0097% (0.09 1.0 1.00 0.02 0.02) = 0.010% HA ASN 119 - HB3 GLU- 75 1.563% * 0.0076% (0.07 1.0 1.00 0.02 0.02) = 0.008% HA GLU- 56 - HB3 GLU- 10 1.563% * 0.0068% (0.06 1.0 1.00 0.02 0.02) = 0.007% Peak 3343 (4.37, 4.36, 72.92 ppm): 1 diagonal assignment: * HB THR 61 - HB THR 61 (0.89) kept Peak 3344 (4.72, 4.36, 72.92 ppm): 6 chemical-shift based assignments, quality = 0.859, support = 2.24, residual support = 17.0: * O HA THR 61 - HB THR 61 16.667% * 96.8211% (0.86 10.0 2.31 17.56) = 96.821% kept HA2 GLY 30 - HB THR 61 16.667% * 1.7503% (0.96 1.0 0.32 0.02) = 1.750% kept HA VAL 99 - HB THR 61 16.667% * 1.1605% (0.73 1.0 0.28 0.02) = 1.160% kept HA THR 39 - HB THR 61 16.667% * 0.1058% (0.94 1.0 0.02 0.02) = 0.106% HA LYS+ 20 - HB THR 61 16.667% * 0.0968% (0.86 1.0 0.02 0.12) = 0.097% HA GLN 16 - HB THR 61 16.667% * 0.0655% (0.58 1.0 0.02 0.02) = 0.065% Peak 3345 (8.77, 4.36, 72.92 ppm): 4 chemical-shift based assignments, quality = 0.68, support = 3.97, residual support = 14.7: * HN VAL 62 - HB THR 61 25.000% * 81.3693% (0.66 4.77 18.09) = 81.369% kept HN THR 95 - HB THR 61 25.000% * 9.7919% (0.73 0.52 0.02) = 9.792% kept HN PHE 34 - HB THR 61 25.000% * 8.5578% (0.83 0.40 0.02) = 8.558% kept HN SER 69 - HB THR 61 25.000% * 0.2810% (0.54 0.02 0.02) = 0.281% Peak 3346 (1.46, 0.39, 29.23 ppm): 12 chemical-shift based assignments, quality = 0.944, support = 5.08, residual support = 148.1: * O T HG13 ILE 48 - HG12 ILE 48 8.333% * 99.4630% (0.95 10.0 10.00 5.11 148.88) = 99.463% kept HG2 PRO 59 - HG12 ILE 48 8.333% * 0.0962% (0.92 1.0 1.00 0.02 0.02) = 0.096% HG3 LYS+ 60 - HG12 ILE 48 8.333% * 0.0962% (0.92 1.0 1.00 0.02 1.86) = 0.096% HG3 PRO 52 - HG12 ILE 48 8.333% * 0.0894% (0.85 1.0 1.00 0.02 0.02) = 0.089% HB3 LEU 67 - HG12 ILE 48 8.333% * 0.0833% (0.79 1.0 1.00 0.02 0.17) = 0.083% HG LEU 90 - HG12 ILE 48 8.333% * 0.0410% (0.39 1.0 1.00 0.02 0.02) = 0.041% HB3 LYS+ 44 - HG12 ILE 48 8.333% * 0.0308% (0.29 1.0 1.00 0.02 0.51) = 0.031% QB ALA 70 - HG12 ILE 48 8.333% * 0.0277% (0.26 1.0 1.00 0.02 0.02) = 0.028% HG3 LYS+ 113 - HG12 ILE 48 8.333% * 0.0222% (0.21 1.0 1.00 0.02 0.02) = 0.022% HG3 ARG+ 22 - HG12 ILE 48 8.333% * 0.0175% (0.17 1.0 1.00 0.02 0.71) = 0.017% HG3 LYS+ 55 - HG12 ILE 48 8.333% * 0.0175% (0.17 1.0 1.00 0.02 0.02) = 0.017% HD3 LYS+ 113 - HG12 ILE 48 8.333% * 0.0154% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 3347 (3.04, 3.04, 29.47 ppm): 1 diagonal assignment: * HB3 TRP 51 - HB3 TRP 51 (0.17) kept Peak 3348 (2.15, 3.08, 67.42 ppm): 11 chemical-shift based assignments, quality = 0.836, support = 3.88, residual support = 75.8: * O HB VAL 47 - HA VAL 47 9.091% * 96.0786% (0.85 10.0 4.02 78.85) = 96.079% kept HG2 GLU- 45 - HA VAL 47 9.091% * 1.8216% (0.45 1.0 0.72 0.19) = 1.822% kept HG2 PRO 112 - HA VAL 47 9.091% * 1.0737% (0.86 1.0 0.22 0.02) = 1.074% kept HB3 GLU- 75 - HA VAL 47 9.091% * 0.7126% (0.62 1.0 0.20 0.02) = 0.713% HB3 LYS+ 78 - HA VAL 47 9.091% * 0.1032% (0.91 1.0 0.02 0.02) = 0.103% HB2 ASP- 28 - HA VAL 47 9.091% * 0.0833% (0.74 1.0 0.02 0.02) = 0.083% HG2 PRO 104 - HA VAL 47 9.091% * 0.0507% (0.45 1.0 0.02 0.02) = 0.051% HB VAL 105 - HA VAL 47 9.091% * 0.0321% (0.28 1.0 0.02 0.02) = 0.032% HB2 GLU- 56 - HA VAL 47 9.091% * 0.0161% (0.14 1.0 0.02 0.02) = 0.016% HB VAL 87 - HA VAL 47 9.091% * 0.0141% (0.12 1.0 0.02 0.02) = 0.014% HG2 GLN 102 - HA VAL 47 9.091% * 0.0141% (0.12 1.0 0.02 0.02) = 0.014% Peak 3349 (0.94, 3.44, 66.58 ppm): 20 chemical-shift based assignments, quality = 0.767, support = 2.81, residual support = 30.6: * O QG2 VAL 62 - HA VAL 62 5.000% * 94.0518% (0.79 10.0 2.95 32.46) = 94.052% kept QG2 ILE 29 - HA VAL 62 5.000% * 2.5747% (0.68 1.0 0.63 0.02) = 2.575% kept QG2 VAL 99 - HA VAL 62 5.000% * 1.8714% (0.35 1.0 0.89 1.04) = 1.871% kept QG2 VAL 73 - HA VAL 62 5.000% * 0.4740% (0.71 1.0 0.11 0.02) = 0.474% QG1 VAL 105 - HA VAL 62 5.000% * 0.0999% (0.84 1.0 0.02 0.02) = 0.100% QD1 LEU 17 - HA VAL 62 5.000% * 0.0983% (0.83 1.0 0.02 0.02) = 0.098% QG2 VAL 105 - HA VAL 62 5.000% * 0.0964% (0.81 1.0 0.02 0.02) = 0.096% HG12 ILE 68 - HA VAL 62 5.000% * 0.0740% (0.62 1.0 0.02 0.02) = 0.074% QG1 VAL 105 - HA VAL 40 5.000% * 0.0682% (0.57 1.0 0.02 0.02) = 0.068% QD1 LEU 17 - HA VAL 40 5.000% * 0.0671% (0.56 1.0 0.02 0.02) = 0.067% HG3 LYS+ 110 - HA VAL 62 5.000% * 0.0659% (0.55 1.0 0.02 0.02) = 0.066% QG2 VAL 105 - HA VAL 40 5.000% * 0.0658% (0.55 1.0 0.02 0.02) = 0.066% QG2 VAL 62 - HA VAL 40 5.000% * 0.0642% (0.54 1.0 0.02 0.02) = 0.064% QG2 VAL 73 - HA VAL 40 5.000% * 0.0581% (0.49 1.0 0.02 0.02) = 0.058% QG2 ILE 29 - HA VAL 40 5.000% * 0.0557% (0.47 1.0 0.02 0.02) = 0.056% QG2 VAL 80 - HA VAL 62 5.000% * 0.0536% (0.45 1.0 0.02 0.88) = 0.054% HG12 ILE 68 - HA VAL 40 5.000% * 0.0505% (0.42 1.0 0.02 0.02) = 0.051% HG3 LYS+ 110 - HA VAL 40 5.000% * 0.0450% (0.38 1.0 0.02 0.02) = 0.045% QG2 VAL 80 - HA VAL 40 5.000% * 0.0366% (0.31 1.0 0.02 0.12) = 0.037% QG2 VAL 99 - HA VAL 40 5.000% * 0.0286% (0.24 1.0 0.02 0.02) = 0.029% Peak 3350 (0.90, 0.89, 25.09 ppm): 2 diagonal assignments: * HG3 LYS+ 117 - HG3 LYS+ 117 (0.62) kept QG2 VAL 40 - QG2 VAL 40 (0.17) kept Peak 3351 (0.93, 0.93, 24.69 ppm): 1 diagonal assignment: * QD1 LEU 17 - QD1 LEU 17 (0.21) kept Peak 3352 (4.99, 3.71, 65.41 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 2.67, residual support = 20.1: * O HA SER 69 - HB3 SER 69 25.000% * 89.0271% (0.94 10.0 2.59 21.26) = 89.027% kept HA ILE 68 - HB3 SER 69 25.000% * 10.8473% (0.69 1.0 3.35 10.87) = 10.847% kept HA PRO 31 - HB3 SER 69 25.000% * 0.0714% (0.76 1.0 0.02 0.02) = 0.071% HA MET 97 - HB3 SER 69 25.000% * 0.0541% (0.57 1.0 0.02 0.02) = 0.054% Peak 3353 (8.81, 3.71, 65.41 ppm): 5 chemical-shift based assignments, quality = 0.358, support = 2.79, residual support = 21.0: * O HN SER 69 - HB3 SER 69 20.000% * 98.6176% (0.35 10.0 2.83 21.26) = 98.618% kept HN ASN 57 - HB3 SER 69 20.000% * 1.0257% (0.76 1.0 0.10 0.02) = 1.026% kept HN LYS+ 32 - HB3 SER 69 20.000% * 0.1805% (0.65 1.0 0.02 0.02) = 0.180% HN LYS+ 60 - HB3 SER 69 20.000% * 0.1178% (0.42 1.0 0.02 0.02) = 0.118% HN THR 95 - HB3 SER 69 20.000% * 0.0585% (0.21 1.0 0.02 0.02) = 0.059% Peak 3354 (8.81, 3.54, 65.41 ppm): 4 chemical-shift based assignments, quality = 0.145, support = 2.72, residual support = 20.4: * O HN SER 69 - HB2 SER 69 25.000% * 95.9450% (0.13 10.0 2.83 21.26) = 95.945% kept HN ASN 57 - HB2 SER 69 25.000% * 2.9916% (0.81 1.0 0.10 0.02) = 2.992% kept HN LYS+ 32 - HB2 SER 69 25.000% * 0.5882% (0.77 1.0 0.02 0.02) = 0.588% HN LYS+ 60 - HB2 SER 69 25.000% * 0.4752% (0.62 1.0 0.02 0.02) = 0.475% Peak 3355 (7.32, 3.43, 65.81 ppm): 7 chemical-shift based assignments, quality = 0.487, support = 4.94, residual support = 65.0: HN VAL 47 - HA ILE 48 14.286% * 46.1092% (0.68 1.0 5.73 33.51) = 46.109% kept * O HN ILE 48 - HA ILE 48 14.286% * 33.0017% (0.14 10.0 6.30 148.88) = 33.002% kept QD PHE 34 - HA ILE 48 14.286% * 12.1030% (0.70 1.0 1.46 2.63) = 12.103% kept QE PHE 34 - HA ILE 48 14.286% * 5.1709% (0.57 1.0 0.77 2.63) = 5.171% kept HZ2 TRP 51 - HA ILE 48 14.286% * 2.1016% (0.57 1.0 0.31 0.02) = 2.102% kept HN ARG+ 84 - HA ILE 48 14.286% * 0.9923% (0.67 1.0 0.13 0.02) = 0.992% HZ PHE 34 - HA ILE 48 14.286% * 0.5213% (0.57 1.0 0.08 2.63) = 0.521% Peak 3356 (3.43, 3.43, 65.81 ppm): 1 diagonal assignment: * HA ILE 48 - HA ILE 48 (0.70) kept Peak 3357 (8.75, 3.44, 66.51 ppm): 8 chemical-shift based assignments, quality = 0.831, support = 4.04, residual support = 31.1: * O HN VAL 62 - HA VAL 62 12.500% * 95.7034% (0.86 10.0 4.21 32.46) = 95.703% kept HN GLU- 56 - HA VAL 62 12.500% * 1.3893% (0.62 1.0 0.40 0.02) = 1.389% kept HN ILE 101 - HA VAL 40 12.500% * 1.0837% (0.25 1.0 0.78 0.59) = 1.084% kept HN PHE 34 - HA VAL 62 12.500% * 0.7177% (0.69 1.0 0.19 0.02) = 0.718% HN GLU- 56 - HA VAL 40 12.500% * 0.7085% (0.23 1.0 0.54 0.53) = 0.709% HN ILE 101 - HA VAL 62 12.500% * 0.3318% (0.66 1.0 0.09 0.77) = 0.332% HN VAL 62 - HA VAL 40 12.500% * 0.0362% (0.32 1.0 0.02 0.02) = 0.036% HN PHE 34 - HA VAL 40 12.500% * 0.0293% (0.26 1.0 0.02 0.02) = 0.029% Peak 3358 (0.56, 1.63, 27.60 ppm): 6 chemical-shift based assignments, quality = 0.855, support = 4.5, residual support = 115.3: * O T QD1 ILE 101 - HG12 ILE 101 16.667% * 89.6772% (0.94 10.0 10.00 4.91 128.54) = 89.677% kept T QD1 LEU 23 - HG12 ILE 101 16.667% * 8.4535% (0.17 1.0 10.00 1.07 0.50) = 8.453% kept T QD1 LEU 23 - HG3 ARG+ 84 16.667% * 1.4320% (0.07 1.0 10.00 0.40 0.02) = 1.432% kept T QD1 ILE 101 - HG3 ARG+ 84 16.667% * 0.4009% (0.42 1.0 10.00 0.02 0.02) = 0.401% QG2 VAL 122 - HG12 ILE 101 16.667% * 0.0252% (0.26 1.0 1.00 0.02 0.02) = 0.025% QG2 VAL 122 - HG3 ARG+ 84 16.667% * 0.0112% (0.12 1.0 1.00 0.02 1.53) = 0.011% Peak 3359 (8.01, 3.84, 64.57 ppm): 8 chemical-shift based assignments, quality = 0.0888, support = 0.02, residual support = 0.02: HN LYS+ 111 - HB3 SER 88 12.500% * 17.8052% (0.10 0.02 0.02) = 17.805% kept HN SER 27 - HB3 SER 88 12.500% * 17.8052% (0.10 0.02 0.02) = 17.805% kept HN LYS+ 111 - HB3 SER 77 12.500% * 16.1916% (0.09 0.02 0.02) = 16.192% kept HN SER 27 - HB3 SER 77 12.500% * 16.1916% (0.09 0.02 0.02) = 16.192% kept HN MET 126 - HB3 SER 88 12.500% * 13.6375% (0.08 0.02 0.02) = 13.638% kept HN MET 126 - HB3 SER 77 12.500% * 12.4016% (0.07 0.02 0.02) = 12.402% kept HN LEU 43 - HB3 SER 88 12.500% * 3.1252% (0.02 0.02 0.02) = 3.125% kept HN LEU 43 - HB3 SER 77 12.500% * 2.8420% (0.02 0.02 0.02) = 2.842% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 3360 (8.01, 3.71, 64.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3361 (0.11, 0.11, 22.78 ppm): 1 diagonal assignment: * QG2 VAL 47 - QG2 VAL 47 (0.20) kept Peak 3362 (0.89, 0.11, 22.78 ppm): 9 chemical-shift based assignments, quality = 0.187, support = 3.57, residual support = 75.2: * O QG1 VAL 47 - QG2 VAL 47 11.111% * 95.3280% (0.19 10.0 3.73 78.85) = 95.328% kept QD1 LEU 67 - QG2 VAL 47 11.111% * 2.0160% (0.18 1.0 0.45 0.45) = 2.016% kept QG1 VAL 80 - QG2 VAL 47 11.111% * 2.0031% (0.20 1.0 0.39 0.02) = 2.003% kept QG2 VAL 125 - QG2 VAL 47 11.111% * 0.3332% (0.14 1.0 0.09 0.02) = 0.333% QG2 VAL 87 - QG2 VAL 47 11.111% * 0.1006% (0.20 1.0 0.02 0.02) = 0.101% QG2 VAL 40 - QG2 VAL 47 11.111% * 0.1006% (0.20 1.0 0.02 0.02) = 0.101% HG3 LYS+ 117 - QG2 VAL 47 11.111% * 0.0812% (0.16 1.0 0.02 0.02) = 0.081% QG2 VAL 80 - QG2 VAL 47 11.111% * 0.0210% (0.04 1.0 0.02 0.02) = 0.021% QG2 ILE 100 - QG2 VAL 47 11.111% * 0.0164% (0.03 1.0 0.02 0.02) = 0.016% Peak 3363 (2.14, 0.11, 22.78 ppm): 11 chemical-shift based assignments, quality = 0.152, support = 3.13, residual support = 63.0: * O T HB VAL 47 - QG2 VAL 47 9.091% * 79.8463% (0.15 10.0 10.00 3.78 78.85) = 79.846% kept T HB3 GLU- 75 - QG2 VAL 47 9.091% * 13.3722% (0.15 1.0 10.00 0.33 0.02) = 13.372% kept HG2 GLU- 45 - QG2 VAL 47 9.091% * 4.9858% (0.15 1.0 1.00 1.25 0.19) = 4.986% kept HG2 PRO 112 - QG2 VAL 47 9.091% * 1.1210% (0.19 1.0 1.00 0.22 0.02) = 1.121% kept T HB2 GLU- 56 - QG2 VAL 47 9.091% * 0.3394% (0.06 1.0 10.00 0.02 0.02) = 0.339% HB2 ASP- 28 - QG2 VAL 47 9.091% * 0.1061% (0.20 1.0 1.00 0.02 0.02) = 0.106% HB3 LYS+ 78 - QG2 VAL 47 9.091% * 0.0954% (0.18 1.0 1.00 0.02 0.02) = 0.095% HB VAL 105 - QG2 VAL 47 9.091% * 0.0579% (0.11 1.0 1.00 0.02 0.02) = 0.058% HB VAL 87 - QG2 VAL 47 9.091% * 0.0306% (0.06 1.0 1.00 0.02 0.02) = 0.031% HG2 PRO 104 - QG2 VAL 47 9.091% * 0.0306% (0.06 1.0 1.00 0.02 0.02) = 0.031% HB3 LEU 43 - QG2 VAL 47 9.091% * 0.0149% (0.03 1.0 1.00 0.02 0.53) = 0.015% Peak 3364 (3.08, 0.11, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.119, support = 3.24, residual support = 78.8: * O T HA VAL 47 - QG2 VAL 47 50.000% * 99.9338% (0.12 10.0 10.00 3.24 78.85) = 99.934% kept HB3 TRP 51 - QG2 VAL 47 50.000% * 0.0662% (0.08 1.0 1.00 0.02 4.00) = 0.066% Peak 3365 (3.52, 0.11, 22.78 ppm): 3 chemical-shift based assignments, quality = 0.168, support = 3.59, residual support = 20.5: * T HA LYS+ 44 - QG2 VAL 47 33.333% * 97.5243% (0.17 10.00 3.66 20.97) = 97.524% kept HA1 GLY 26 - QG2 VAL 47 33.333% * 2.4516% (0.14 1.00 0.62 0.02) = 2.452% kept HA1 GLY 30 - QG2 VAL 47 33.333% * 0.0241% (0.04 1.00 0.02 0.02) = 0.024% Peak 3366 (6.87, 0.11, 22.78 ppm): 4 chemical-shift based assignments, quality = 0.152, support = 2.16, residual support = 10.3: * QD PHE 21 - QG2 VAL 47 25.000% * 59.4472% (0.17 2.75 12.42) = 59.447% kept HZ PHE 21 - QG2 VAL 47 25.000% * 23.0305% (0.09 1.90 12.42) = 23.031% kept HD21 ASN 119 - QG2 VAL 47 25.000% * 13.2751% (0.20 0.52 0.21) = 13.275% kept HD22 ASN 15 - QG2 VAL 47 25.000% * 4.2471% (0.08 0.42 0.11) = 4.247% kept Peak 3367 (7.33, 0.11, 22.78 ppm): 6 chemical-shift based assignments, quality = 0.189, support = 3.2, residual support = 35.8: * HN VAL 47 - QG2 VAL 47 16.667% * 42.4325% (0.18 4.94 78.85) = 42.432% kept QD PHE 34 - QG2 VAL 47 16.667% * 21.7634% (0.19 2.38 4.08) = 21.763% kept QE PHE 34 - QG2 VAL 47 16.667% * 19.5401% (0.19 2.14 4.08) = 19.540% kept HZ PHE 34 - QG2 VAL 47 16.667% * 11.5466% (0.19 1.26 4.08) = 11.547% kept HZ2 TRP 51 - QG2 VAL 47 16.667% * 4.5521% (0.19 0.50 4.00) = 4.552% kept HN ARG+ 84 - QG2 VAL 47 16.667% * 0.1653% (0.18 0.02 0.02) = 0.165% Peak 3368 (7.06, 0.11, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.0876, support = 1.68, residual support = 11.6: * T QE PHE 21 - QG2 VAL 47 50.000% * 92.4858% (0.08 10.00 1.77 12.42) = 92.486% kept QD TYR 83 - QG2 VAL 47 50.000% * 7.5142% (0.19 1.00 0.58 0.91) = 7.514% kept Peak 3369 (7.51, 0.11, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.121, support = 0.954, residual support = 2.29: HN ASP- 82 - QG2 VAL 47 50.000% * 62.3402% (0.13 1.08 1.25) = 62.340% kept * HE3 TRP 51 - QG2 VAL 47 50.000% * 37.6598% (0.11 0.75 4.00) = 37.660% kept Not enough quality. Peak unassigned. Peak 3370 (0.59, 0.59, 22.78 ppm): 1 diagonal assignment: * QD1 LEU 23 - QD1 LEU 23 (0.92) kept Peak 3371 (0.94, 0.59, 22.78 ppm): 10 chemical-shift based assignments, quality = 0.801, support = 1.44, residual support = 9.99: QG2 ILE 29 - QD1 LEU 23 10.000% * 39.1767% (0.97 1.66 14.52) = 39.177% kept * QG2 VAL 99 - QD1 LEU 23 10.000% * 30.8890% (0.65 1.95 13.83) = 30.889% kept QG2 VAL 105 - QD1 LEU 23 10.000% * 16.3930% (0.76 0.88 0.12) = 16.393% kept QG1 VAL 105 - QD1 LEU 23 10.000% * 9.4256% (0.84 0.46 0.12) = 9.426% kept QG2 VAL 62 - QD1 LEU 23 10.000% * 1.8989% (1.00 0.08 0.02) = 1.899% kept HG12 ILE 68 - QD1 LEU 23 10.000% * 0.9908% (0.49 0.08 0.02) = 0.991% QG2 VAL 73 - QD1 LEU 23 10.000% * 0.4806% (0.98 0.02 0.02) = 0.481% QD1 LEU 17 - QD1 LEU 23 10.000% * 0.3926% (0.80 0.02 0.13) = 0.393% HG3 LYS+ 110 - QD1 LEU 23 10.000% * 0.2016% (0.41 0.02 0.02) = 0.202% QG2 VAL 80 - QD1 LEU 23 10.000% * 0.1513% (0.31 0.02 0.02) = 0.151% Peak 3372 (1.64, 0.59, 22.78 ppm): 11 chemical-shift based assignments, quality = 0.794, support = 2.87, residual support = 71.9: * O HG LEU 23 - QD1 LEU 23 9.091% * 56.0003% (0.84 10.0 1.00 3.84 120.20) = 56.000% kept T HG12 ILE 101 - QD1 LEU 23 9.091% * 27.3348% (0.76 1.0 10.00 1.07 0.50) = 27.335% kept HG2 ARG+ 22 - QD1 LEU 23 9.091% * 10.9825% (0.90 1.0 1.00 3.65 40.42) = 10.983% kept T HG3 ARG+ 84 - QD1 LEU 23 9.091% * 5.0869% (0.38 1.0 10.00 0.40 0.02) = 5.087% kept HB VAL 122 - QD1 LEU 23 9.091% * 0.4281% (0.73 1.0 1.00 0.18 0.02) = 0.428% HG LEU 43 - QD1 LEU 23 9.091% * 0.0487% (0.73 1.0 1.00 0.02 0.02) = 0.049% HB ILE 68 - QD1 LEU 23 9.091% * 0.0487% (0.73 1.0 1.00 0.02 0.02) = 0.049% HG3 LYS+ 78 - QD1 LEU 23 9.091% * 0.0301% (0.45 1.0 1.00 0.02 0.02) = 0.030% HB3 LYS+ 66 - QD1 LEU 23 9.091% * 0.0149% (0.22 1.0 1.00 0.02 0.02) = 0.015% HB ILE 100 - QD1 LEU 23 9.091% * 0.0133% (0.20 1.0 1.00 0.02 3.44) = 0.013% HG2 LYS+ 110 - QD1 LEU 23 9.091% * 0.0117% (0.18 1.0 1.00 0.02 0.02) = 0.012% Peak 3373 (1.91, 0.59, 22.78 ppm): 12 chemical-shift based assignments, quality = 0.723, support = 3.7, residual support = 74.9: * O T HB2 LEU 23 - QD1 LEU 23 8.333% * 57.3872% (0.80 10.0 10.00 5.12 120.20) = 57.387% kept T HB ILE 29 - QD1 LEU 23 8.333% * 40.4158% (0.61 1.0 10.00 1.86 14.52) = 40.416% kept HB3 GLN 102 - QD1 LEU 23 8.333% * 1.8224% (0.99 1.0 1.00 0.51 0.96) = 1.822% kept HD3 LYS+ 63 - QD1 LEU 23 8.333% * 0.0702% (0.98 1.0 1.00 0.02 0.02) = 0.070% HB2 PRO 112 - QD1 LEU 23 8.333% * 0.0701% (0.98 1.0 1.00 0.02 0.02) = 0.070% HB3 ARG+ 53 - QD1 LEU 23 8.333% * 0.0599% (0.84 1.0 1.00 0.02 0.20) = 0.060% HB3 CYS 123 - QD1 LEU 23 8.333% * 0.0492% (0.69 1.0 1.00 0.02 0.02) = 0.049% HB3 GLN 16 - QD1 LEU 23 8.333% * 0.0321% (0.45 1.0 1.00 0.02 0.02) = 0.032% HG2 GLU- 18 - QD1 LEU 23 8.333% * 0.0321% (0.45 1.0 1.00 0.02 0.02) = 0.032% HG2 PRO 112 - QD1 LEU 23 8.333% * 0.0211% (0.29 1.0 1.00 0.02 0.02) = 0.021% HB2 PRO 116 - QD1 LEU 23 8.333% * 0.0199% (0.28 1.0 1.00 0.02 0.02) = 0.020% HB2 GLU- 10 - QD1 LEU 23 8.333% * 0.0199% (0.28 1.0 1.00 0.02 0.02) = 0.020% Peak 3374 (2.18, 0.59, 22.78 ppm): 9 chemical-shift based assignments, quality = 0.932, support = 2.7, residual support = 8.65: * T HB VAL 99 - QD1 LEU 23 11.111% * 59.3989% (1.00 10.00 3.69 13.83) = 59.399% kept T HG2 GLN 102 - QD1 LEU 23 11.111% * 32.3124% (0.87 10.00 1.25 0.96) = 32.312% kept HB2 ASP- 82 - QD1 LEU 23 11.111% * 5.1877% (0.90 1.00 1.94 2.34) = 5.188% kept T HG3 MET 126 - QD1 LEU 23 11.111% * 1.2936% (0.15 10.00 0.28 0.02) = 1.294% kept HB3 PRO 104 - QD1 LEU 23 11.111% * 1.0812% (0.99 1.00 0.37 0.02) = 1.081% kept T HG2 MET 126 - QD1 LEU 23 11.111% * 0.4323% (0.73 10.00 0.02 0.02) = 0.432% HG2 PRO 104 - QD1 LEU 23 11.111% * 0.2175% (0.41 1.00 0.18 0.02) = 0.217% HG2 PRO 112 - QD1 LEU 23 11.111% * 0.0585% (0.98 1.00 0.02 0.02) = 0.059% HB3 GLU- 75 - QD1 LEU 23 11.111% * 0.0180% (0.30 1.00 0.02 0.02) = 0.018% Peak 3376 (4.79, 0.59, 22.78 ppm): 4 chemical-shift based assignments, quality = 0.792, support = 5.07, residual support = 118.8: * HA LEU 23 - QD1 LEU 23 25.000% * 98.8709% (0.80 5.13 120.20) = 98.871% kept HB THR 39 - QD1 LEU 23 25.000% * 0.6176% (0.34 0.08 0.02) = 0.618% HA ASN 15 - QD1 LEU 23 25.000% * 0.3307% (0.69 0.02 0.02) = 0.331% HA GLU- 18 - QD1 LEU 23 25.000% * 0.1807% (0.38 0.02 0.02) = 0.181% Peak 3377 (6.72, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.388, support = 3.42, residual support = 30.2: * T HZ3 TRP 51 - QD1 LEU 23 50.000% * 96.6202% (0.38 10.00 3.53 31.30) = 96.620% kept QE TYR 83 - QD1 LEU 23 50.000% * 3.3798% (0.76 1.00 0.34 0.02) = 3.380% kept Peak 3378 (7.19, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.855, support = 3.97, residual support = 31.3: * HH2 TRP 51 - QD1 LEU 23 50.000% * 78.3573% (0.95 4.46 31.30) = 78.357% kept HN TRP 51 - QD1 LEU 23 50.000% * 21.6427% (0.53 2.21 31.30) = 21.643% kept Peak 3379 (2.93, 0.59, 22.78 ppm): 5 chemical-shift based assignments, quality = 0.613, support = 1.96, residual support = 2.08: HB2 HIS+ 98 - QD1 LEU 23 20.000% * 66.7820% (0.57 2.71 3.05) = 66.782% kept HE3 LYS+ 81 - QD1 LEU 23 20.000% * 12.2681% (0.34 0.83 0.28) = 12.268% kept HE3 LYS+ 60 - QD1 LEU 23 20.000% * 11.1725% (0.97 0.27 0.02) = 11.172% kept HB2 CYS 121 - QD1 LEU 23 20.000% * 9.5354% (0.90 0.24 0.02) = 9.535% kept HB3 ASN 57 - QD1 LEU 23 20.000% * 0.2420% (0.28 0.02 0.02) = 0.242% Peak 3380 (7.35, 0.59, 22.78 ppm): 5 chemical-shift based assignments, quality = 0.52, support = 1.96, residual support = 18.9: * HZ2 TRP 51 - QD1 LEU 23 20.000% * 59.8171% (0.53 2.88 31.30) = 59.817% kept HZ PHE 34 - QD1 LEU 23 20.000% * 13.2239% (0.53 0.64 0.21) = 13.224% kept QE PHE 34 - QD1 LEU 23 20.000% * 13.0301% (0.53 0.63 0.21) = 13.030% kept HE22 GLN 102 - QD1 LEU 23 20.000% * 10.1803% (0.61 0.43 0.96) = 10.180% kept QD PHE 34 - QD1 LEU 23 20.000% * 3.7487% (0.15 0.62 0.21) = 3.749% kept Peak 3381 (7.51, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.661, support = 1.92, residual support = 23.6: * HE3 TRP 51 - QD1 LEU 23 50.000% * 73.3789% (0.76 2.07 31.30) = 73.379% kept HN ASP- 82 - QD1 LEU 23 50.000% * 26.6211% (0.38 1.53 2.34) = 26.621% kept Peak 3382 (9.31, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.69, support = 4.94, residual support = 67.9: * HN LEU 23 - QD1 LEU 23 50.000% * 50.5126% (0.49 6.44 120.20) = 50.513% kept HN ILE 29 - QD1 LEU 23 50.000% * 49.4874% (0.90 3.42 14.52) = 49.487% kept Peak 3383 (7.56, 0.73, 23.16 ppm): 8 chemical-shift based assignments, quality = 0.888, support = 4.81, residual support = 27.0: * HN VAL 65 - QG2 VAL 65 12.500% * 91.1014% (0.90 5.25 29.62) = 91.101% kept HD22 ASN 119 - QG2 VAL 65 12.500% * 4.7521% (0.90 0.27 0.02) = 4.752% kept HN VAL 65 - HG3 LYS+ 44 12.500% * 3.5351% (0.81 0.23 0.02) = 3.535% kept HD22 ASN 119 - HG3 LYS+ 44 12.500% * 0.3139% (0.81 0.02 0.02) = 0.314% HN LYS+ 78 - QG2 VAL 65 12.500% * 0.0964% (0.25 0.02 0.02) = 0.096% HN LYS+ 78 - HG3 LYS+ 44 12.500% * 0.0873% (0.23 0.02 0.02) = 0.087% HD21 ASN 15 - QG2 VAL 65 12.500% * 0.0597% (0.15 0.02 0.02) = 0.060% HD21 ASN 15 - HG3 LYS+ 44 12.500% * 0.0540% (0.14 0.02 0.02) = 0.054% Peak 3384 (7.33, 0.73, 23.16 ppm): 12 chemical-shift based assignments, quality = 0.768, support = 2.03, residual support = 13.7: QD PHE 34 - HG3 LYS+ 44 8.333% * 28.1553% (0.69 2.86 13.12) = 28.155% kept * HN VAL 47 - HG3 LYS+ 44 8.333% * 22.7480% (0.62 2.57 20.97) = 22.748% kept HZ PHE 34 - HG3 LYS+ 44 8.333% * 20.2328% (0.90 1.57 13.12) = 20.233% kept QE PHE 34 - HG3 LYS+ 44 8.333% * 19.9945% (0.90 1.55 13.12) = 19.995% kept HN VAL 47 - QG2 VAL 65 8.333% * 3.1278% (0.69 0.32 0.02) = 3.128% kept HZ PHE 34 - QG2 VAL 65 8.333% * 1.4201% (1.00 0.10 0.02) = 1.420% kept QE PHE 34 - QG2 VAL 65 8.333% * 1.4201% (1.00 0.10 0.02) = 1.420% kept HZ2 TRP 51 - HG3 LYS+ 44 8.333% * 1.1785% (0.90 0.09 0.02) = 1.179% kept QD PHE 34 - QG2 VAL 65 8.333% * 1.0877% (0.76 0.10 0.02) = 1.088% kept HZ2 TRP 51 - QG2 VAL 65 8.333% * 0.2842% (1.00 0.02 0.02) = 0.284% HN ARG+ 84 - QG2 VAL 65 8.333% * 0.1843% (0.65 0.02 0.02) = 0.184% HN ARG+ 84 - HG3 LYS+ 44 8.333% * 0.1668% (0.59 0.02 0.02) = 0.167% Peak 3385 (7.91, 0.73, 23.16 ppm): 2 chemical-shift based assignments, quality = 0.224, support = 4.7, residual support = 56.0: * HN LYS+ 44 - HG3 LYS+ 44 50.000% * 99.5342% (0.23 4.72 56.31) = 99.534% kept HN LYS+ 44 - QG2 VAL 65 50.000% * 0.4658% (0.25 0.02 0.02) = 0.466% Peak 3386 (8.24, 0.73, 23.16 ppm): 22 chemical-shift based assignments, quality = 0.728, support = 1.9, residual support = 4.35: HN LEU 67 - QG2 VAL 65 4.545% * 37.9743% (0.99 1.62 0.72) = 37.974% kept * HN GLU- 45 - HG3 LYS+ 44 4.545% * 23.4445% (0.20 4.92 16.90) = 23.444% kept HN LEU 67 - HG3 LYS+ 44 4.545% * 12.8882% (0.90 0.61 0.80) = 12.888% kept HN SER 49 - QG2 VAL 65 4.545% * 5.6869% (0.95 0.25 0.10) = 5.687% kept HN LYS+ 81 - HG3 LYS+ 44 4.545% * 5.0427% (0.90 0.24 0.02) = 5.043% kept HN SER 49 - HG3 LYS+ 44 4.545% * 3.8493% (0.86 0.19 0.02) = 3.849% kept HN GLY 58 - HG3 LYS+ 44 4.545% * 3.5556% (0.90 0.17 0.02) = 3.556% kept HN GLY 58 - QG2 VAL 65 4.545% * 2.0740% (1.00 0.09 0.02) = 2.074% kept HN ALA 11 - HG3 LYS+ 44 4.545% * 1.7659% (0.25 0.30 0.02) = 1.766% kept HN VAL 105 - HG3 LYS+ 44 4.545% * 0.6865% (0.37 0.08 0.11) = 0.687% HN LYS+ 81 - QG2 VAL 65 4.545% * 0.4684% (0.99 0.02 0.02) = 0.468% HN GLU- 12 - QG2 VAL 65 4.545% * 0.4471% (0.95 0.02 0.02) = 0.447% HN GLU- 12 - HG3 LYS+ 44 4.545% * 0.4046% (0.86 0.02 0.02) = 0.405% HN THR 106 - QG2 VAL 65 4.545% * 0.2487% (0.53 0.02 0.02) = 0.249% HN THR 106 - HG3 LYS+ 44 4.545% * 0.2250% (0.48 0.02 0.02) = 0.225% HN ASP- 115 - QG2 VAL 65 4.545% * 0.2119% (0.45 0.02 0.02) = 0.212% HN VAL 94 - QG2 VAL 65 4.545% * 0.2119% (0.45 0.02 0.02) = 0.212% HN VAL 105 - QG2 VAL 65 4.545% * 0.1943% (0.41 0.02 0.02) = 0.194% HN ASP- 115 - HG3 LYS+ 44 4.545% * 0.1918% (0.41 0.02 0.02) = 0.192% HN VAL 94 - HG3 LYS+ 44 4.545% * 0.1918% (0.41 0.02 0.02) = 0.192% HN ALA 11 - QG2 VAL 65 4.545% * 0.1314% (0.28 0.02 0.02) = 0.131% HN GLU- 45 - QG2 VAL 65 4.545% * 0.1052% (0.22 0.02 0.02) = 0.105% Peak 3387 (1.64, 0.73, 23.14 ppm): 26 chemical-shift based assignments, quality = 0.447, support = 2.16, residual support = 9.99: T HB3 LYS+ 66 - QG2 VAL 65 3.846% * 59.3859% (0.48 10.00 2.90 12.79) = 59.386% kept T HB3 LYS+ 66 - HG3 LYS+ 44 3.846% * 17.2404% (0.45 10.00 0.62 0.24) = 17.240% kept HG LEU 43 - HG3 LYS+ 44 3.846% * 7.6617% (0.38 1.00 3.28 27.76) = 7.662% kept T HB3 MET 97 - QG2 VAL 65 3.846% * 4.6452% (0.34 10.00 0.22 0.02) = 4.645% kept T HB3 MET 97 - HG3 LYS+ 44 3.846% * 4.1544% (0.32 10.00 0.21 0.02) = 4.154% kept HG12 ILE 101 - QG2 VAL 65 3.846% * 3.9126% (0.44 1.00 1.43 5.60) = 3.913% kept HB ILE 100 - QG2 VAL 65 3.846% * 1.7829% (0.44 1.00 0.65 0.02) = 1.783% kept HG12 ILE 101 - HG3 LYS+ 44 3.846% * 0.2472% (0.41 1.00 0.10 0.02) = 0.247% HG2 ARG+ 22 - QG2 VAL 65 3.846% * 0.1217% (0.99 1.00 0.02 0.02) = 0.122% HG2 ARG+ 22 - HG3 LYS+ 44 3.846% * 0.1135% (0.92 1.00 0.02 0.02) = 0.114% HG3 ARG+ 84 - QG2 VAL 65 3.846% * 0.0838% (0.68 1.00 0.02 0.02) = 0.084% HG3 ARG+ 84 - HG3 LYS+ 44 3.846% * 0.0781% (0.64 1.00 0.02 0.02) = 0.078% HG LEU 23 - QG2 VAL 65 3.846% * 0.0642% (0.52 1.00 0.02 0.02) = 0.064% HG LEU 23 - HG3 LYS+ 44 3.846% * 0.0599% (0.49 1.00 0.02 0.02) = 0.060% HB ILE 100 - HG3 LYS+ 44 3.846% * 0.0510% (0.41 1.00 0.02 0.02) = 0.051% HB ILE 68 - QG2 VAL 65 3.846% * 0.0502% (0.41 1.00 0.02 1.17) = 0.050% HG LEU 43 - QG2 VAL 65 3.846% * 0.0502% (0.41 1.00 0.02 0.02) = 0.050% HB VAL 122 - QG2 VAL 65 3.846% * 0.0502% (0.41 1.00 0.02 0.02) = 0.050% HB VAL 122 - HG3 LYS+ 44 3.846% * 0.0468% (0.38 1.00 0.02 0.02) = 0.047% HB ILE 68 - HG3 LYS+ 44 3.846% * 0.0468% (0.38 1.00 0.02 0.17) = 0.047% HB3 MET 126 - QG2 VAL 65 3.846% * 0.0339% (0.28 1.00 0.02 0.02) = 0.034% HB3 MET 126 - HG3 LYS+ 44 3.846% * 0.0316% (0.26 1.00 0.02 0.02) = 0.032% HG3 LYS+ 78 - QG2 VAL 65 3.846% * 0.0241% (0.20 1.00 0.02 0.02) = 0.024% HG3 LYS+ 78 - HG3 LYS+ 44 3.846% * 0.0225% (0.18 1.00 0.02 0.02) = 0.023% HB3 LYS+ 81 - QG2 VAL 65 3.846% * 0.0214% (0.17 1.00 0.02 0.02) = 0.021% HB3 LYS+ 81 - HG3 LYS+ 44 3.846% * 0.0199% (0.16 1.00 0.02 0.02) = 0.020% Peak 3388 (1.59, 0.85, 23.55 ppm): 9 chemical-shift based assignments, quality = 0.136, support = 0.473, residual support = 1.17: HB3 PRO 52 - QD2 LEU 90 11.111% * 44.9417% (0.14 1.00 0.79 2.38) = 44.942% kept HD3 LYS+ 32 - QD2 LEU 90 11.111% * 15.8646% (0.18 1.00 0.22 0.21) = 15.865% kept HB ILE 19 - QD2 LEU 90 11.111% * 15.7702% (0.11 1.00 0.35 0.29) = 15.770% kept HG2 LYS+ 110 - QD2 LEU 90 11.111% * 8.7461% (0.10 1.00 0.21 0.02) = 8.746% kept T HG LEU 17 - QD2 LEU 90 11.111% * 8.2449% (0.10 10.00 0.02 0.17) = 8.245% kept HG3 LYS+ 78 - QD2 LEU 90 11.111% * 3.1897% (0.04 1.00 0.21 0.02) = 3.190% kept HB3 LYS+ 32 - QD2 LEU 90 11.111% * 2.0011% (0.25 1.00 0.02 0.21) = 2.001% kept HD3 LYS+ 60 - QD2 LEU 90 11.111% * 0.6841% (0.09 1.00 0.02 0.02) = 0.684% HD3 LYS+ 81 - QD2 LEU 90 11.111% * 0.5576% (0.07 1.00 0.02 0.02) = 0.558% Not enough quality. Peak unassigned. Peak 3389 (0.85, 0.85, 23.55 ppm): 8 chemical-shift based assignments, quality = 0.153, support = 0.629, residual support = 10.2: * O QD1 LEU 90 - QD2 LEU 90 12.500% * 52.2557% (0.13 10.0 1.00 1.00 19.40) = 52.256% kept T QG2 VAL 13 - QD2 LEU 90 12.500% * 18.6340% (0.25 1.0 10.00 0.19 0.02) = 18.634% kept T QG1 VAL 13 - QD2 LEU 90 12.500% * 17.1059% (0.14 1.0 10.00 0.30 0.02) = 17.106% kept T QD1 ILE 29 - QD2 LEU 90 12.500% * 7.3041% (0.14 1.0 10.00 0.13 0.02) = 7.304% kept T QD2 LEU 17 - QD2 LEU 90 12.500% * 3.8314% (0.04 1.0 10.00 0.25 0.17) = 3.831% kept T QG1 VAL 94 - QD2 LEU 90 12.500% * 0.6131% (0.08 1.0 10.00 0.02 0.02) = 0.613% HG2 LYS+ 117 - QD2 LEU 90 12.500% * 0.1591% (0.20 1.0 1.00 0.02 0.02) = 0.159% QG2 ILE 100 - QD2 LEU 90 12.500% * 0.0967% (0.12 1.0 1.00 0.02 0.02) = 0.097% Peak 3390 (3.81, 0.85, 23.55 ppm): 6 chemical-shift based assignments, quality = 0.2, support = 0.0525, residual support = 0.151: HA2 GLY 92 - QD2 LEU 90 16.667% * 45.4797% (0.17 0.09 0.31) = 45.480% kept HB3 SER 41 - QD2 LEU 90 16.667% * 13.9712% (0.25 0.02 0.02) = 13.971% kept HD3 PRO 86 - QD2 LEU 90 16.667% * 13.3639% (0.23 0.02 0.02) = 13.364% kept HD3 PRO 116 - QD2 LEU 90 16.667% * 12.5577% (0.22 0.02 0.02) = 12.558% kept HD3 PRO 112 - QD2 LEU 90 16.667% * 12.0921% (0.21 0.02 0.02) = 12.092% kept HA LYS+ 117 - QD2 LEU 90 16.667% * 2.5354% (0.04 0.02 0.02) = 2.535% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 3391 (0.58, 0.29, 23.82 ppm): 8 chemical-shift based assignments, quality = 0.946, support = 3.05, residual support = 73.3: * O T QD1 LEU 23 - QD2 LEU 23 12.500% * 60.6931% (0.92 10.0 10.00 4.46 120.20) = 60.693% kept O QG2 VAL 122 - QG1 VAL 122 12.500% * 32.6669% (0.99 10.0 1.00 1.00 0.94) = 32.667% kept T QD1 LEU 23 - QG1 VAL 122 12.500% * 6.5330% (0.97 1.0 10.00 0.20 0.02) = 6.533% kept QG2 VAL 122 - QD2 LEU 23 12.500% * 0.0618% (0.94 1.0 1.00 0.02 0.02) = 0.062% QD1 ILE 101 - QG1 VAL 122 12.500% * 0.0130% (0.20 1.0 1.00 0.02 0.02) = 0.013% QD1 ILE 101 - QD2 LEU 23 12.500% * 0.0123% (0.19 1.0 1.00 0.02 0.50) = 0.012% QG2 ILE 48 - QG1 VAL 122 12.500% * 0.0103% (0.16 1.0 1.00 0.02 0.02) = 0.010% QG2 ILE 48 - QD2 LEU 23 12.500% * 0.0097% (0.15 1.0 1.00 0.02 0.33) = 0.010% Peak 3392 (2.17, 0.29, 23.82 ppm): 20 chemical-shift based assignments, quality = 0.753, support = 1.33, residual support = 5.26: HB2 ASP- 82 - QD2 LEU 23 5.000% * 34.5112% (0.86 1.50 2.34) = 34.511% kept HB VAL 99 - QD2 LEU 23 5.000% * 30.3624% (0.68 1.67 13.83) = 30.362% kept HG2 GLN 102 - QD2 LEU 23 5.000% * 26.3947% (0.88 1.12 0.96) = 26.395% kept HB3 PRO 104 - QD2 LEU 23 5.000% * 1.9084% (0.71 0.10 0.02) = 1.908% kept HG2 MET 126 - QD2 LEU 23 5.000% * 1.7555% (0.23 0.28 0.02) = 1.756% kept HG2 PRO 112 - QG1 VAL 122 5.000% * 0.5170% (0.96 0.02 0.02) = 0.517% HG2 GLN 102 - QG1 VAL 122 5.000% * 0.5048% (0.94 0.02 0.02) = 0.505% HB2 ASP- 82 - QG1 VAL 122 5.000% * 0.4926% (0.92 0.02 0.02) = 0.493% HG2 PRO 112 - QD2 LEU 23 5.000% * 0.4844% (0.90 0.02 0.02) = 0.484% HG2 PRO 104 - QG1 VAL 122 5.000% * 0.4786% (0.89 0.02 0.02) = 0.479% HG2 PRO 104 - QD2 LEU 23 5.000% * 0.4483% (0.84 0.02 0.02) = 0.448% HB3 PRO 104 - QG1 VAL 122 5.000% * 0.4078% (0.76 0.02 0.02) = 0.408% HB VAL 99 - QG1 VAL 122 5.000% * 0.3875% (0.72 0.02 0.02) = 0.387% HB VAL 47 - QG1 VAL 122 5.000% * 0.2392% (0.45 0.02 0.02) = 0.239% HB VAL 47 - QD2 LEU 23 5.000% * 0.2241% (0.42 0.02 0.02) = 0.224% HB3 GLU- 75 - QG1 VAL 122 5.000% * 0.2228% (0.42 0.02 0.02) = 0.223% HB3 GLU- 75 - QD2 LEU 23 5.000% * 0.2087% (0.39 0.02 0.02) = 0.209% HB3 LYS+ 78 - QG1 VAL 122 5.000% * 0.1647% (0.31 0.02 0.02) = 0.165% HB3 LYS+ 78 - QD2 LEU 23 5.000% * 0.1543% (0.29 0.02 0.02) = 0.154% HG2 MET 126 - QG1 VAL 122 5.000% * 0.1331% (0.25 0.02 0.02) = 0.133% Peak 3394 (2.91, 0.29, 23.82 ppm): 10 chemical-shift based assignments, quality = 0.815, support = 1.08, residual support = 1.61: HB2 HIS+ 98 - QD2 LEU 23 10.000% * 49.5798% (0.86 1.52 3.05) = 49.580% kept HE3 LYS+ 81 - QD2 LEU 23 10.000% * 27.2620% (0.93 0.77 0.28) = 27.262% kept HB2 CYS 121 - QG1 VAL 122 10.000% * 16.3218% (0.60 0.71 0.11) = 16.322% kept HE3 LYS+ 81 - QG1 VAL 122 10.000% * 3.5534% (1.00 0.09 0.02) = 3.553% kept HB3 ASN 57 - QG1 VAL 122 10.000% * 0.7474% (0.99 0.02 0.02) = 0.747% HB3 ASN 57 - QD2 LEU 23 10.000% * 0.7002% (0.92 0.02 0.02) = 0.700% HB2 HIS+ 98 - QG1 VAL 122 10.000% * 0.6961% (0.92 0.02 0.02) = 0.696% HB2 CYS 121 - QD2 LEU 23 10.000% * 0.4285% (0.57 0.02 0.02) = 0.428% HE3 LYS+ 60 - QG1 VAL 122 10.000% * 0.3670% (0.48 0.02 0.02) = 0.367% HE3 LYS+ 60 - QD2 LEU 23 10.000% * 0.3439% (0.45 0.02 0.02) = 0.344% Peak 3395 (3.26, 0.29, 23.82 ppm): 8 chemical-shift based assignments, quality = 0.242, support = 2.05, residual support = 13.1: HD3 ARG+ 22 - QD2 LEU 23 12.500% * 30.9371% (0.16 3.52 40.42) = 30.937% kept HD3 ARG+ 53 - QD2 LEU 23 12.500% * 20.5858% (0.42 0.91 0.20) = 20.586% kept HD2 PRO 52 - QG1 VAL 122 12.500% * 16.2520% (0.13 2.24 1.73) = 16.252% kept * HD2 PRO 52 - QD2 LEU 23 12.500% * 14.7441% (0.13 2.17 1.68) = 14.744% kept HD3 ARG+ 53 - QG1 VAL 122 12.500% * 13.1241% (0.45 0.55 0.02) = 13.124% kept HD3 ARG+ 22 - QG1 VAL 122 12.500% * 3.7799% (0.17 0.40 0.02) = 3.780% kept HE3 LYS+ 63 - QG1 VAL 122 12.500% * 0.2979% (0.28 0.02 0.02) = 0.298% HE3 LYS+ 63 - QD2 LEU 23 12.500% * 0.2791% (0.26 0.02 0.02) = 0.279% Peak 3396 (3.72, 0.29, 23.82 ppm): 10 chemical-shift based assignments, quality = 0.521, support = 1.03, residual support = 17.0: HB2 TRP 51 - QG1 VAL 122 10.000% * 39.2913% (0.52 1.20 12.43) = 39.291% kept * HB2 TRP 51 - QD2 LEU 23 10.000% * 38.6614% (0.49 1.26 31.30) = 38.661% kept HA LYS+ 81 - QD2 LEU 23 10.000% * 15.2553% (0.57 0.43 0.28) = 15.255% kept HA LYS+ 81 - QG1 VAL 122 10.000% * 3.5548% (0.60 0.09 0.02) = 3.555% kept HB3 SER 69 - QG1 VAL 122 10.000% * 1.0788% (0.86 0.02 0.02) = 1.079% kept HB3 SER 69 - QD2 LEU 23 10.000% * 1.0107% (0.81 0.02 0.02) = 1.011% kept HA LEU 43 - QG1 VAL 122 10.000% * 0.4242% (0.34 0.02 0.02) = 0.424% HA LEU 43 - QD2 LEU 23 10.000% * 0.3974% (0.32 0.02 0.02) = 0.397% HD3 PRO 104 - QG1 VAL 122 10.000% * 0.1683% (0.13 0.02 0.02) = 0.168% HD3 PRO 104 - QD2 LEU 23 10.000% * 0.1577% (0.13 0.02 0.02) = 0.158% Peak 3397 (3.85, 0.29, 23.82 ppm): 20 chemical-shift based assignments, quality = 0.551, support = 0.137, residual support = 0.0276: HA2 GLY 114 - QD2 LEU 23 5.000% * 26.3609% (0.57 0.23 0.02) = 26.361% kept HB2 SER 85 - QG1 VAL 122 5.000% * 18.6077% (0.64 0.15 0.02) = 18.608% kept HB2 SER 85 - QD2 LEU 23 5.000% * 15.3467% (0.60 0.13 0.02) = 15.347% kept HD3 PRO 116 - QD2 LEU 23 5.000% * 9.6761% (0.21 0.23 0.02) = 9.676% kept HA LYS+ 117 - QG1 VAL 122 5.000% * 3.6565% (0.92 0.02 0.02) = 3.657% kept HA LYS+ 117 - QD2 LEU 23 5.000% * 3.4255% (0.86 0.02 0.02) = 3.426% kept HB3 SER 88 - QG1 VAL 122 5.000% * 2.7209% (0.68 0.02 0.02) = 2.721% kept HB3 SER 88 - QD2 LEU 23 5.000% * 2.5490% (0.64 0.02 0.14) = 2.549% kept HB3 SER 77 - QG1 VAL 122 5.000% * 2.4025% (0.60 0.02 0.02) = 2.402% kept HA2 GLY 114 - QG1 VAL 122 5.000% * 2.4025% (0.60 0.02 0.02) = 2.402% kept HB3 SER 77 - QD2 LEU 23 5.000% * 2.2507% (0.57 0.02 0.02) = 2.251% kept HB3 SER 27 - QG1 VAL 122 5.000% * 1.4866% (0.37 0.02 0.02) = 1.487% kept HA2 GLY 92 - QG1 VAL 122 5.000% * 1.4866% (0.37 0.02 0.02) = 1.487% kept HB3 SER 27 - QD2 LEU 23 5.000% * 1.3927% (0.35 0.02 0.37) = 1.393% kept HA2 GLY 92 - QD2 LEU 23 5.000% * 1.3927% (0.35 0.02 0.02) = 1.393% kept HA GLU- 45 - QG1 VAL 122 5.000% * 1.3511% (0.34 0.02 0.02) = 1.351% kept HA GLU- 45 - QD2 LEU 23 5.000% * 1.2658% (0.32 0.02 0.02) = 1.266% kept HD3 PRO 116 - QG1 VAL 122 5.000% * 0.8819% (0.22 0.02 0.02) = 0.882% HD3 PRO 86 - QG1 VAL 122 5.000% * 0.6937% (0.17 0.02 0.02) = 0.694% HD3 PRO 86 - QD2 LEU 23 5.000% * 0.6499% (0.16 0.02 0.02) = 0.650% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 3398 (4.35, 0.29, 23.82 ppm): 8 chemical-shift based assignments, quality = 0.216, support = 2.03, residual support = 20.3: HA TRP 51 - QG1 VAL 122 12.500% * 49.0436% (0.22 2.16 12.43) = 49.044% kept * HA TRP 51 - QD2 LEU 23 12.500% * 45.2689% (0.21 2.13 31.30) = 45.269% kept HA LYS+ 60 - QD2 LEU 23 12.500% * 1.5879% (0.18 0.08 0.02) = 1.588% kept HA2 GLY 26 - QG1 VAL 122 12.500% * 1.0714% (0.52 0.02 0.02) = 1.071% kept HA2 GLY 26 - QD2 LEU 23 12.500% * 1.0037% (0.49 0.02 0.02) = 1.004% kept HB THR 61 - QG1 VAL 122 12.500% * 0.8372% (0.41 0.02 0.02) = 0.837% HB THR 61 - QD2 LEU 23 12.500% * 0.7843% (0.38 0.02 0.02) = 0.784% HA LYS+ 60 - QG1 VAL 122 12.500% * 0.4030% (0.20 0.02 0.02) = 0.403% Peak 3399 (7.33, 0.29, 23.82 ppm): 12 chemical-shift based assignments, quality = 0.92, support = 2.76, residual support = 17.6: HZ2 TRP 51 - QG1 VAL 122 8.333% * 40.1762% (0.99 3.21 12.43) = 40.176% kept * HZ2 TRP 51 - QD2 LEU 23 8.333% * 40.1360% (0.93 3.44 31.30) = 40.136% kept HZ PHE 34 - QD2 LEU 23 8.333% * 5.6269% (0.93 0.48 0.21) = 5.627% kept QE PHE 34 - QD2 LEU 23 8.333% * 5.5763% (0.93 0.48 0.21) = 5.576% kept HN ARG+ 84 - QG1 VAL 122 8.333% * 4.2754% (0.60 0.56 1.53) = 4.275% kept HN ARG+ 84 - QD2 LEU 23 8.333% * 3.0446% (0.56 0.43 0.02) = 3.045% kept HZ PHE 34 - QG1 VAL 122 8.333% * 0.2501% (0.99 0.02 0.02) = 0.250% QE PHE 34 - QG1 VAL 122 8.333% * 0.2501% (0.99 0.02 0.02) = 0.250% QD PHE 34 - QG1 VAL 122 8.333% * 0.1816% (0.72 0.02 0.02) = 0.182% QD PHE 34 - QD2 LEU 23 8.333% * 0.1697% (0.67 0.02 0.21) = 0.170% HN VAL 47 - QG1 VAL 122 8.333% * 0.1618% (0.64 0.02 0.02) = 0.162% HN VAL 47 - QD2 LEU 23 8.333% * 0.1512% (0.60 0.02 0.02) = 0.151% Peak 3400 (7.20, 0.29, 23.82 ppm): 4 chemical-shift based assignments, quality = 0.858, support = 3.31, residual support = 22.4: * HH2 TRP 51 - QD2 LEU 23 25.000% * 36.9246% (0.92 3.94 31.30) = 36.925% kept HH2 TRP 51 - QG1 VAL 122 25.000% * 34.7303% (0.99 3.46 12.43) = 34.730% kept HN TRP 51 - QD2 LEU 23 25.000% * 16.1587% (0.60 2.64 31.30) = 16.159% kept HN TRP 51 - QG1 VAL 122 25.000% * 12.1864% (0.64 1.86 12.43) = 12.186% kept Peak 3401 (6.74, 0.29, 23.82 ppm): 4 chemical-shift based assignments, quality = 0.912, support = 3.04, residual support = 18.7: HZ3 TRP 51 - QG1 VAL 122 25.000% * 43.6160% (0.94 3.37 12.43) = 43.616% kept * HZ3 TRP 51 - QD2 LEU 23 25.000% * 42.3015% (0.88 3.50 31.30) = 42.302% kept QE TYR 83 - QG1 VAL 122 25.000% * 9.7479% (0.94 0.75 0.02) = 9.748% kept QE TYR 83 - QD2 LEU 23 25.000% * 4.3346% (0.88 0.36 0.02) = 4.335% kept Peak 3402 (3.72, 3.71, 65.41 ppm): 1 diagonal assignment: * HB3 SER 69 - HB3 SER 69 (0.57) kept Peak 3404 (2.22, 3.71, 65.41 ppm): 14 chemical-shift based assignments, quality = 0.749, support = 0.484, residual support = 0.0193: HA1 GLY 58 - HB3 SER 69 7.143% * 32.6887% (0.79 0.57 0.02) = 32.689% kept HG3 MET 97 - HB3 SER 69 7.143% * 30.7497% (0.79 0.54 0.02) = 30.750% kept HG3 MET 126 - HB3 SER 69 7.143% * 25.2597% (0.69 0.51 0.02) = 25.260% kept HG2 PRO 112 - HB3 SER 69 7.143% * 1.3625% (0.95 0.02 0.02) = 1.363% kept HG3 GLN 102 - HB3 SER 69 7.143% * 1.3598% (0.94 0.02 0.02) = 1.360% kept HG3 GLU- 109 - HB3 SER 69 7.143% * 1.3508% (0.94 0.02 0.02) = 1.351% kept HB2 PRO 52 - HB3 SER 69 7.143% * 1.3508% (0.94 0.02 0.02) = 1.351% kept HG3 GLU- 18 - HB3 SER 69 7.143% * 1.3152% (0.91 0.02 0.02) = 1.315% kept HB2 GLU- 50 - HB3 SER 69 7.143% * 1.2580% (0.87 0.02 0.02) = 1.258% kept HB3 GLU- 45 - HB3 SER 69 7.143% * 0.9361% (0.65 0.02 0.02) = 0.936% HG3 GLN 16 - HB3 SER 69 7.143% * 0.8266% (0.57 0.02 0.02) = 0.827% HG3 GLU- 10 - HB3 SER 69 7.143% * 0.7716% (0.54 0.02 0.02) = 0.772% HB3 ASN 15 - HB3 SER 69 7.143% * 0.5603% (0.39 0.02 0.02) = 0.560% HG2 MET 126 - HB3 SER 69 7.143% * 0.2103% (0.15 0.02 0.02) = 0.210% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3405 (1.67, 3.71, 65.41 ppm): 10 chemical-shift based assignments, quality = 0.725, support = 1.78, residual support = 2.13: T HG3 ARG+ 84 - HB3 SER 69 10.000% * 60.4546% (0.79 10.00 2.30 3.36) = 60.455% kept T HB3 LYS+ 81 - HB3 SER 69 10.000% * 22.9572% (0.87 10.00 0.69 0.43) = 22.957% kept T HG2 PRO 52 - HB3 SER 69 10.000% * 16.2076% (0.29 10.00 1.45 0.02) = 16.208% kept HB3 MET 97 - HB3 SER 69 10.000% * 0.0724% (0.95 1.00 0.02 0.02) = 0.072% HB3 MET 126 - HB3 SER 69 10.000% * 0.0717% (0.94 1.00 0.02 0.02) = 0.072% HB ILE 100 - HB3 SER 69 10.000% * 0.0709% (0.93 1.00 0.02 0.02) = 0.071% HB3 LYS+ 66 - HB3 SER 69 10.000% * 0.0698% (0.91 1.00 0.02 0.02) = 0.070% HD3 LYS+ 55 - HB3 SER 69 10.000% * 0.0410% (0.54 1.00 0.02 0.02) = 0.041% HG13 ILE 19 - HB3 SER 69 10.000% * 0.0324% (0.42 1.00 0.02 0.13) = 0.032% HG2 ARG+ 22 - HB3 SER 69 10.000% * 0.0223% (0.29 1.00 0.02 0.02) = 0.022% Peak 3407 (0.46, 3.71, 65.41 ppm): 2 chemical-shift based assignments, quality = 0.8, support = 3.22, residual support = 33.1: * T QD2 LEU 74 - HB3 SER 69 50.000% * 77.8594% (0.93 10.00 3.72 42.02) = 77.859% kept T QD2 LEU 43 - HB3 SER 69 50.000% * 22.1406% (0.35 10.00 1.49 1.67) = 22.141% kept Peak 3408 (-0.04, 3.71, 65.41 ppm): 1 chemical-shift based assignment, quality = 0.82, support = 3.76, residual support = 42.0: * T QD1 LEU 74 - HB3 SER 69 100.000% *100.0000% (0.82 10.00 3.76 42.02) = 100.000% kept Peak 3409 (2.22, 3.54, 65.47 ppm): 14 chemical-shift based assignments, quality = 0.658, support = 1.05, residual support = 0.0187: HB2 PRO 52 - HB2 SER 69 7.143% * 59.9784% (0.78 1.47 0.02) = 59.978% kept HA1 GLY 58 - HB2 SER 69 7.143% * 19.7628% (0.65 0.58 0.02) = 19.763% kept HB3 GLU- 45 - HB2 SER 69 7.143% * 11.3262% (0.54 0.40 0.02) = 11.326% kept HG2 MET 126 - HB2 SER 69 7.143% * 2.3438% (0.12 0.37 0.02) = 2.344% kept HG2 PRO 112 - HB2 SER 69 7.143% * 0.8212% (0.78 0.02 0.02) = 0.821% HG3 GLN 102 - HB2 SER 69 7.143% * 0.8195% (0.78 0.02 0.02) = 0.820% HG3 GLU- 109 - HB2 SER 69 7.143% * 0.8141% (0.78 0.02 0.02) = 0.814% HG3 GLU- 18 - HB2 SER 69 7.143% * 0.7926% (0.76 0.02 0.02) = 0.793% HB2 GLU- 50 - HB2 SER 69 7.143% * 0.7582% (0.72 0.02 0.02) = 0.758% HG3 MET 97 - HB2 SER 69 7.143% * 0.6860% (0.65 0.02 0.02) = 0.686% HG3 MET 126 - HB2 SER 69 7.143% * 0.5964% (0.57 0.02 0.02) = 0.596% HG3 GLN 16 - HB2 SER 69 7.143% * 0.4982% (0.47 0.02 0.02) = 0.498% HG3 GLU- 10 - HB2 SER 69 7.143% * 0.4650% (0.44 0.02 0.02) = 0.465% HB3 ASN 15 - HB2 SER 69 7.143% * 0.3377% (0.32 0.02 0.02) = 0.338% Peak 3410 (1.67, 3.54, 65.47 ppm): 9 chemical-shift based assignments, quality = 0.642, support = 0.509, residual support = 0.946: HB3 LYS+ 81 - HB2 SER 69 11.111% * 30.5861% (0.78 0.54 0.43) = 30.586% kept HG3 ARG+ 84 - HB2 SER 69 11.111% * 24.0722% (0.44 0.75 3.36) = 24.072% kept HB3 MET 97 - HB2 SER 69 11.111% * 21.3183% (0.70 0.42 0.02) = 21.318% kept HB3 MET 126 - HB2 SER 69 11.111% * 19.8367% (0.74 0.37 0.02) = 19.837% kept HD3 LYS+ 55 - HB2 SER 69 11.111% * 0.9471% (0.65 0.02 0.02) = 0.947% HB ILE 100 - HB2 SER 69 11.111% * 0.9079% (0.63 0.02 0.02) = 0.908% HB3 LYS+ 66 - HB2 SER 69 11.111% * 0.8665% (0.60 0.02 0.02) = 0.867% HG13 ILE 19 - HB2 SER 69 11.111% * 0.8233% (0.57 0.02 0.13) = 0.823% HG2 PRO 52 - HB2 SER 69 11.111% * 0.6419% (0.44 0.02 0.02) = 0.642% Peak 3411 (0.45, 3.54, 65.47 ppm): 2 chemical-shift based assignments, quality = 0.592, support = 3.6, residual support = 39.1: * T QD2 LEU 74 - HB2 SER 69 50.000% * 92.8598% (0.63 10.00 3.82 42.02) = 92.860% kept T QD2 LEU 43 - HB2 SER 69 50.000% * 7.1402% (0.14 10.00 0.70 1.67) = 7.140% kept Peak 3412 (-0.03, 3.54, 65.47 ppm): 1 chemical-shift based assignment, quality = 0.781, support = 3.9, residual support = 42.0: * T QD1 LEU 74 - HB2 SER 69 100.000% *100.0000% (0.78 10.00 3.90 42.02) = 100.000% kept Peak 3413 (0.91, 3.43, 65.93 ppm): 13 chemical-shift based assignments, quality = 0.283, support = 3.45, residual support = 26.8: * QG1 VAL 47 - HA ILE 48 7.692% * 79.8508% (0.29 4.26 33.51) = 79.851% kept QD1 LEU 67 - HA ILE 48 7.692% * 6.2974% (0.31 0.31 0.17) = 6.297% kept HG3 LYS+ 117 - HA ILE 48 7.692% * 6.1705% (0.33 0.29 0.02) = 6.171% kept QG1 VAL 80 - HA ILE 48 7.692% * 3.2992% (0.14 0.36 0.02) = 3.299% kept HG12 ILE 68 - HA ILE 48 7.692% * 1.5476% (0.20 0.12 0.02) = 1.548% kept QG2 VAL 125 - HA ILE 48 7.692% * 1.1386% (0.05 0.33 0.16) = 1.139% kept QG2 VAL 87 - HA ILE 48 7.692% * 0.3433% (0.27 0.02 0.02) = 0.343% QG2 VAL 40 - HA ILE 48 7.692% * 0.3433% (0.27 0.02 0.02) = 0.343% QG2 VAL 80 - HA ILE 48 7.692% * 0.3433% (0.27 0.02 0.02) = 0.343% HG3 LYS+ 110 - HA ILE 48 7.692% * 0.2906% (0.23 0.02 0.02) = 0.291% QG2 VAL 105 - HA ILE 48 7.692% * 0.1386% (0.11 0.02 0.02) = 0.139% QD1 LEU 17 - HA ILE 48 7.692% * 0.1249% (0.10 0.02 0.02) = 0.125% QG1 VAL 105 - HA ILE 48 7.692% * 0.1120% (0.09 0.02 0.02) = 0.112% Peak 3414 (0.39, 3.43, 65.93 ppm): 2 chemical-shift based assignments, quality = 0.344, support = 5.33, residual support = 148.9: * T QD1 ILE 48 - HA ILE 48 50.000% * 50.0000% (0.34 1.0 10.00 5.91 148.88) = 50.000% kept O T HG12 ILE 48 - HA ILE 48 50.000% * 50.0000% (0.34 10.0 10.00 4.74 148.88) = 50.000% kept Peak 3415 (1.73, 3.43, 65.83 ppm): 6 chemical-shift based assignments, quality = 0.414, support = 5.93, residual support = 142.1: * O T HB ILE 48 - HA ILE 48 16.667% * 95.4595% (0.42 10.0 10.00 6.19 148.88) = 95.459% kept HB3 LEU 23 - HA ILE 48 16.667% * 2.7418% (0.32 1.0 1.00 0.75 0.33) = 2.742% kept HB2 GLN 16 - HA ILE 48 16.667% * 1.6750% (0.46 1.0 1.00 0.32 0.02) = 1.675% kept HB2 LYS+ 117 - HA ILE 48 16.667% * 0.0676% (0.29 1.0 1.00 0.02 0.02) = 0.068% HB2 LEU 17 - HA ILE 48 16.667% * 0.0347% (0.15 1.0 1.00 0.02 0.02) = 0.035% HD3 PRO 59 - HA ILE 48 16.667% * 0.0214% (0.09 1.0 1.00 0.02 0.02) = 0.021% Peak 3416 (7.34, 1.13, 24.84 ppm): 6 chemical-shift based assignments, quality = 0.869, support = 3.16, residual support = 18.8: HZ PHE 34 - HG3 LYS+ 32 16.667% * 36.4264% (0.94 3.92 21.84) = 36.426% kept * QE PHE 34 - HG3 LYS+ 32 16.667% * 29.0124% (0.94 3.12 21.84) = 29.012% kept QD PHE 34 - HG3 LYS+ 32 16.667% * 19.8267% (0.62 3.27 21.84) = 19.827% kept HZ2 TRP 51 - HG3 LYS+ 32 16.667% * 12.4291% (0.94 1.34 1.20) = 12.429% kept HN VAL 47 - HG3 LYS+ 32 16.667% * 2.2069% (0.54 0.42 0.02) = 2.207% kept HN ARG+ 84 - HG3 LYS+ 32 16.667% * 0.0986% (0.50 0.02 0.02) = 0.099% Peak 3417 (8.23, 1.13, 24.84 ppm): 11 chemical-shift based assignments, quality = 0.894, support = 0.367, residual support = 0.0193: HN LYS+ 81 - HG3 LYS+ 32 9.091% * 39.8355% (0.92 0.56 0.02) = 39.835% kept HN GLY 58 - HG3 LYS+ 32 9.091% * 23.8946% (0.95 0.32 0.02) = 23.895% kept HN SER 49 - HG3 LYS+ 32 9.091% * 17.3959% (0.93 0.24 0.02) = 17.396% kept HN LEU 67 - HG3 LYS+ 32 9.091% * 13.8958% (0.92 0.19 0.02) = 13.896% kept HN GLU- 12 - HG3 LYS+ 32 9.091% * 1.3317% (0.85 0.02 0.02) = 1.332% kept HN VAL 94 - HG3 LYS+ 32 9.091% * 0.7813% (0.50 0.02 0.02) = 0.781% HN VAL 105 - HG3 LYS+ 32 9.091% * 0.7228% (0.46 0.02 0.02) = 0.723% HN THR 106 - HG3 LYS+ 32 9.091% * 0.6657% (0.43 0.02 0.02) = 0.666% HN ASP- 115 - HG3 LYS+ 32 9.091% * 0.5573% (0.36 0.02 0.02) = 0.557% HN ALA 11 - HG3 LYS+ 32 9.091% * 0.5065% (0.32 0.02 0.02) = 0.507% HN GLU- 45 - HG3 LYS+ 32 9.091% * 0.4129% (0.26 0.02 0.02) = 0.413% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3418 (7.97, 1.48, 24.80 ppm): 4 chemical-shift based assignments, quality = 0.149, support = 4.65, residual support = 25.5: * HN LYS+ 72 - HG3 LYS+ 72 25.000% * 99.0562% (0.15 4.70 25.75) = 99.056% kept HN LEU 43 - HG3 LYS+ 72 25.000% * 0.3476% (0.12 0.02 0.02) = 0.348% HN LYS+ 72 - HG3 LYS+ 60 25.000% * 0.3269% (0.12 0.02 0.02) = 0.327% HN LEU 43 - HG3 LYS+ 60 25.000% * 0.2694% (0.10 0.02 0.02) = 0.269% Peak 3419 (8.14, 0.90, 24.44 ppm): 4 chemical-shift based assignments, quality = 0.136, support = 2.95, residual support = 14.4: * HN SER 41 - QG2 VAL 40 25.000% * 58.4791% (0.07 4.54 24.52) = 58.479% kept HN SER 77 - QG2 VAL 40 25.000% * 33.5537% (0.25 0.80 0.30) = 33.554% kept HN SER 88 - QG2 VAL 40 25.000% * 7.2830% (0.13 0.33 0.02) = 7.283% kept HN GLY 26 - QG2 VAL 40 25.000% * 0.6841% (0.20 0.02 0.02) = 0.684% Peak 3421 (7.07, 0.90, 24.44 ppm): 2 chemical-shift based assignments, quality = 0.259, support = 1.33, residual support = 2.19: * T QD TYR 83 - QG2 VAL 40 50.000% * 99.6186% (0.26 10.00 1.33 2.19) = 99.619% kept T QE PHE 21 - QG2 VAL 40 50.000% * 0.3814% (0.07 10.00 0.02 0.02) = 0.381% Peak 3422 (3.17, 0.82, 25.69 ppm): 3 chemical-shift based assignments, quality = 0.971, support = 1.02, residual support = 1.71: * T HD3 ARG+ 84 - QD2 LEU 17 33.333% * 99.0869% (0.98 10.00 1.03 1.73) = 99.087% kept HB3 HIS+ 98 - QD2 LEU 17 33.333% * 0.7279% (0.18 1.00 0.42 0.83) = 0.728% HB3 PHE 34 - QD2 LEU 17 33.333% * 0.1851% (0.95 1.00 0.02 0.02) = 0.185% Peak 3423 (3.98, 0.82, 25.69 ppm): 3 chemical-shift based assignments, quality = 0.555, support = 0.806, residual support = 0.792: HB THR 95 - QD2 LEU 17 33.333% * 67.2806% (0.38 1.10 1.09) = 67.281% kept HA1 GLY 92 - QD2 LEU 17 33.333% * 31.9928% (0.95 0.21 0.17) = 31.993% kept HA THR 38 - QD2 LEU 17 33.333% * 0.7265% (0.22 0.02 0.02) = 0.727% Peak 3424 (4.29, 0.82, 25.69 ppm): 13 chemical-shift based assignments, quality = 0.657, support = 0.967, residual support = 3.33: HA VAL 94 - QD2 LEU 17 7.692% * 12.6066% (0.41 1.74 7.18) = 12.607% kept HA LEU 90 - QD2 LEU 17 7.692% * 11.8993% (0.69 0.98 0.17) = 11.899% kept HA ILE 29 - QD2 LEU 17 7.692% * 11.7223% (0.61 1.10 17.08) = 11.722% kept HA ASP- 36 - QD2 LEU 17 7.692% * 11.1294% (0.99 0.64 0.02) = 11.129% kept HA PRO 52 - QD2 LEU 17 7.692% * 10.7510% (0.38 1.63 2.64) = 10.751% kept HA CYS 121 - QD2 LEU 17 7.692% * 10.6202% (0.97 0.63 0.02) = 10.620% kept HB3 CYS 121 - QD2 LEU 17 7.692% * 9.6734% (0.87 0.63 0.02) = 9.673% kept * HA ARG+ 84 - QD2 LEU 17 7.692% * 5.9409% (0.38 0.90 1.73) = 5.941% kept HA THR 106 - QD2 LEU 17 7.692% * 5.0080% (0.95 0.30 0.02) = 5.008% kept HA SER 85 - QD2 LEU 17 7.692% * 4.3970% (0.38 0.67 0.02) = 4.397% kept HA ALA 93 - QD2 LEU 17 7.692% * 4.3828% (0.41 0.61 0.23) = 4.383% kept HA VAL 122 - QD2 LEU 17 7.692% * 1.7993% (0.61 0.17 0.02) = 1.799% kept HA GLU- 56 - QD2 LEU 17 7.692% * 0.0696% (0.20 0.02 0.02) = 0.070% Peak 3425 (4.54, 0.82, 25.69 ppm): 4 chemical-shift based assignments, quality = 0.718, support = 3.95, residual support = 87.4: * HA LEU 17 - QD2 LEU 17 25.000% * 98.8343% (0.73 3.99 88.43) = 98.834% kept HA ALA 103 - QD2 LEU 17 25.000% * 0.6819% (1.00 0.02 0.02) = 0.682% HB THR 46 - QD2 LEU 17 25.000% * 0.3319% (0.49 0.02 0.02) = 0.332% HA LYS+ 55 - QD2 LEU 17 25.000% * 0.1518% (0.22 0.02 0.02) = 0.152% Peak 3426 (1.59, 0.82, 25.69 ppm): 9 chemical-shift based assignments, quality = 0.37, support = 3.96, residual support = 70.8: * O T HG LEU 17 - QD2 LEU 17 11.111% * 78.9700% (0.31 10.0 10.00 4.58 88.43) = 78.970% kept HB3 PRO 52 - QD2 LEU 17 11.111% * 16.6494% (0.69 1.0 1.00 1.89 2.64) = 16.649% kept HB ILE 19 - QD2 LEU 17 11.111% * 3.6140% (0.34 1.0 1.00 0.83 13.75) = 3.614% kept HB3 LYS+ 32 - QD2 LEU 17 11.111% * 0.2469% (0.97 1.0 1.00 0.02 0.59) = 0.247% HD3 LYS+ 32 - QD2 LEU 17 11.111% * 0.2137% (0.84 1.0 1.00 0.02 0.59) = 0.214% HG2 LYS+ 110 - QD2 LEU 17 11.111% * 0.1346% (0.53 1.0 1.00 0.02 0.02) = 0.135% HD3 LYS+ 60 - QD2 LEU 17 11.111% * 0.0638% (0.25 1.0 1.00 0.02 0.02) = 0.064% HG3 LYS+ 78 - QD2 LEU 17 11.111% * 0.0570% (0.22 1.0 1.00 0.02 0.02) = 0.057% HD3 LYS+ 81 - QD2 LEU 17 11.111% * 0.0506% (0.20 1.0 1.00 0.02 0.02) = 0.051% Peak 3427 (1.68, 0.82, 25.69 ppm): 9 chemical-shift based assignments, quality = 0.863, support = 1.4, residual support = 4.55: HG2 PRO 52 - QD2 LEU 17 11.111% * 69.2395% (0.95 1.78 2.64) = 69.239% kept HG13 ILE 19 - QD2 LEU 17 11.111% * 18.7879% (1.00 0.46 13.75) = 18.788% kept HG3 ARG+ 84 - QD2 LEU 17 11.111% * 8.1434% (0.20 1.00 1.73) = 8.143% kept HB3 LYS+ 66 - QD2 LEU 17 11.111% * 1.2462% (0.34 0.09 0.02) = 1.246% kept HD3 LYS+ 55 - QD2 LEU 17 11.111% * 0.8139% (0.99 0.02 0.02) = 0.814% HB3 LYS+ 81 - QD2 LEU 17 11.111% * 0.5963% (0.73 0.02 0.02) = 0.596% HB3 MET 126 - QD2 LEU 17 11.111% * 0.4649% (0.57 0.02 0.02) = 0.465% HB3 MET 97 - QD2 LEU 17 11.111% * 0.3997% (0.49 0.02 0.94) = 0.400% HB ILE 100 - QD2 LEU 17 11.111% * 0.3082% (0.38 0.02 0.02) = 0.308% Peak 3428 (1.37, 0.82, 25.69 ppm): 8 chemical-shift based assignments, quality = 0.79, support = 4.87, residual support = 84.4: * O T HB3 LEU 17 - QD2 LEU 17 12.500% * 95.3798% (0.80 10.0 10.00 5.09 88.43) = 95.380% kept HB3 LYS+ 20 - QD2 LEU 17 12.500% * 2.8127% (0.95 1.0 1.00 0.50 1.08) = 2.813% kept T HG13 ILE 68 - QD2 LEU 17 12.500% * 0.7706% (0.65 1.0 10.00 0.02 0.02) = 0.771% QG2 THR 39 - QD2 LEU 17 12.500% * 0.6955% (0.84 1.0 1.00 0.14 0.02) = 0.696% QB ALA 11 - QD2 LEU 17 12.500% * 0.1150% (0.97 1.0 1.00 0.02 0.02) = 0.115% HG2 LYS+ 78 - QD2 LEU 17 12.500% * 0.1150% (0.97 1.0 1.00 0.02 0.02) = 0.115% HG3 LYS+ 81 - QD2 LEU 17 12.500% * 0.0818% (0.69 1.0 1.00 0.02 0.02) = 0.082% HD3 LYS+ 20 - QD2 LEU 17 12.500% * 0.0297% (0.25 1.0 1.00 0.02 1.08) = 0.030% Peak 3429 (0.82, 0.82, 25.69 ppm): 1 diagonal assignment: * QD2 LEU 17 - QD2 LEU 17 (0.99) kept Peak 3430 (3.70, 1.34, 25.00 ppm): 3 chemical-shift based assignments, quality = 0.288, support = 3.15, residual support = 51.0: * O HA LYS+ 81 - HG3 LYS+ 81 33.333% * 98.2784% (0.29 10.0 3.20 51.89) = 98.278% kept HB3 SER 69 - HG3 LYS+ 81 33.333% * 1.6224% (0.24 1.0 0.39 0.43) = 1.622% kept HB2 TRP 51 - HG3 LYS+ 81 33.333% * 0.0992% (0.29 1.0 0.02 0.02) = 0.099% Peak 3431 (3.70, 1.29, 24.93 ppm): 6 chemical-shift based assignments, quality = 0.548, support = 3.56, residual support = 43.7: * O T HA LYS+ 81 - HG2 LYS+ 81 16.667% * 84.1449% (0.54 10.0 10.00 4.17 51.89) = 84.145% kept T HA LYS+ 81 - HG2 LYS+ 32 16.667% * 14.2102% (0.60 1.0 10.00 0.31 0.02) = 14.210% kept HB3 SER 69 - HG2 LYS+ 81 16.667% * 1.3891% (0.46 1.0 1.00 0.39 0.43) = 1.389% kept HB2 TRP 51 - HG2 LYS+ 32 16.667% * 0.0931% (0.60 1.0 1.00 0.02 1.20) = 0.093% HB2 TRP 51 - HG2 LYS+ 81 16.667% * 0.0849% (0.55 1.0 1.00 0.02 0.02) = 0.085% HB3 SER 69 - HG2 LYS+ 32 16.667% * 0.0778% (0.50 1.0 1.00 0.02 0.02) = 0.078% Peak 3432 (4.99, 1.77, 25.40 ppm): 8 chemical-shift based assignments, quality = 0.58, support = 3.18, residual support = 34.7: * O HA PRO 31 - HG2 PRO 31 12.500% * 99.3267% (0.58 10.0 3.20 34.96) = 99.327% kept HA SER 69 - HG3 LYS+ 63 12.500% * 0.1247% (0.73 1.0 0.02 0.02) = 0.125% HA SER 69 - HG2 PRO 31 12.500% * 0.1179% (0.69 1.0 0.02 0.02) = 0.118% HA PRO 31 - HG3 LYS+ 63 12.500% * 0.1051% (0.62 1.0 0.02 0.02) = 0.105% HA ILE 68 - HG3 LYS+ 63 12.500% * 0.0962% (0.57 1.0 0.02 0.02) = 0.096% HA ILE 68 - HG2 PRO 31 12.500% * 0.0909% (0.53 1.0 0.02 0.02) = 0.091% HA MET 97 - HG3 LYS+ 63 12.500% * 0.0712% (0.42 1.0 0.02 0.02) = 0.071% HA MET 97 - HG2 PRO 31 12.500% * 0.0673% (0.40 1.0 0.02 0.02) = 0.067% Peak 3433 (4.99, 1.94, 25.37 ppm): 4 chemical-shift based assignments, quality = 0.803, support = 3.19, residual support = 34.9: * O HA PRO 31 - HG3 PRO 31 25.000% * 99.7228% (0.81 10.0 3.20 34.96) = 99.723% kept HA SER 69 - HG3 PRO 31 25.000% * 0.1183% (0.96 1.0 0.02 0.02) = 0.118% HA ILE 68 - HG3 PRO 31 25.000% * 0.0912% (0.74 1.0 0.02 0.02) = 0.091% HA MET 97 - HG3 PRO 31 25.000% * 0.0676% (0.55 1.0 0.02 0.02) = 0.068% Peak 3434 (1.78, 1.94, 25.25 ppm): 10 chemical-shift based assignments, quality = 0.835, support = 2.95, residual support = 34.3: * O T HG2 PRO 31 - HG3 PRO 31 10.000% * 98.1972% (0.85 10.0 10.00 3.00 34.96) = 98.197% kept T HG3 LYS+ 63 - HG3 PRO 31 10.000% * 0.9885% (0.86 1.0 10.00 0.02 0.02) = 0.989% HB3 GLU- 18 - HG3 PRO 31 10.000% * 0.3676% (0.69 1.0 1.00 0.09 0.02) = 0.368% HG3 ARG+ 53 - HG3 PRO 31 10.000% * 0.0971% (0.84 1.0 1.00 0.02 0.02) = 0.097% HB2 ARG+ 84 - HG3 PRO 31 10.000% * 0.0859% (0.74 1.0 1.00 0.02 0.02) = 0.086% HG2 ARG+ 84 - HG3 PRO 31 10.000% * 0.0828% (0.72 1.0 1.00 0.02 0.02) = 0.083% HB3 LYS+ 108 - HG3 PRO 31 10.000% * 0.0719% (0.62 1.0 1.00 0.02 0.02) = 0.072% HB3 LYS+ 63 - HG3 PRO 31 10.000% * 0.0719% (0.62 1.0 1.00 0.02 0.02) = 0.072% HD3 PRO 59 - HG3 PRO 31 10.000% * 0.0196% (0.17 1.0 1.00 0.02 0.02) = 0.020% HB2 GLU- 109 - HG3 PRO 31 10.000% * 0.0174% (0.15 1.0 1.00 0.02 0.02) = 0.017% Peak 3435 (2.11, 1.62, 25.80 ppm): 13 chemical-shift based assignments, quality = 0.666, support = 4.85, residual support = 169.2: * O T HB3 LEU 43 - HG LEU 43 7.692% * 94.0895% (0.69 10.0 10.00 5.14 179.85) = 94.090% kept HB3 GLU- 75 - HG LEU 43 7.692% * 2.8749% (0.68 1.0 1.00 0.61 0.02) = 2.875% kept T HB VAL 87 - HG LEU 43 7.692% * 0.9924% (0.72 1.0 10.00 0.02 0.02) = 0.992% T HB VAL 105 - HG LEU 43 7.692% * 0.8628% (0.63 1.0 10.00 0.02 0.02) = 0.863% T HB2 MET 118 - HG LEU 43 7.692% * 0.3733% (0.27 1.0 10.00 0.02 0.02) = 0.373% T HB VAL 125 - HG LEU 43 7.692% * 0.2480% (0.18 1.0 10.00 0.02 0.14) = 0.248% T HB2 LYS+ 110 - HG LEU 43 7.692% * 0.1968% (0.14 1.0 10.00 0.02 0.11) = 0.197% HB2 GLU- 56 - HG LEU 43 7.692% * 0.0986% (0.72 1.0 1.00 0.02 0.02) = 0.099% HG2 PRO 112 - HG LEU 43 7.692% * 0.0863% (0.63 1.0 1.00 0.02 0.02) = 0.086% HG2 GLU- 45 - HG LEU 43 7.692% * 0.0683% (0.50 1.0 1.00 0.02 0.02) = 0.068% HB VAL 65 - HG LEU 43 7.692% * 0.0563% (0.41 1.0 1.00 0.02 0.02) = 0.056% HB2 ASP- 28 - HG LEU 43 7.692% * 0.0373% (0.27 1.0 1.00 0.02 0.02) = 0.037% HD3 LYS+ 110 - HG LEU 43 7.692% * 0.0153% (0.11 1.0 1.00 0.02 0.11) = 0.015% Peak 3436 (3.43, 1.62, 25.80 ppm): 5 chemical-shift based assignments, quality = 0.478, support = 2.05, residual support = 3.45: HA VAL 62 - HG LEU 43 20.000% * 32.8836% (0.65 1.84 3.21) = 32.884% kept HA VAL 80 - HG LEU 43 20.000% * 25.2817% (0.30 3.08 4.17) = 25.282% kept * HA VAL 40 - HG LEU 43 20.000% * 19.8325% (0.33 2.22 4.76) = 19.833% kept HA ILE 48 - HG LEU 43 20.000% * 16.2021% (0.72 0.82 1.60) = 16.202% kept HD3 PRO 31 - HG LEU 43 20.000% * 5.8001% (0.13 1.66 2.32) = 5.800% kept Peak 3437 (4.98, 0.45, 25.58 ppm): 10 chemical-shift based assignments, quality = 0.623, support = 2.93, residual support = 24.0: HA SER 69 - QD2 LEU 74 10.000% * 56.2081% (0.71 4.02 42.02) = 56.208% kept HA MET 97 - QD2 LEU 74 10.000% * 19.6174% (0.81 1.24 1.03) = 19.617% kept * HA ILE 68 - QD2 LEU 74 10.000% * 14.4588% (0.29 2.53 1.07) = 14.459% kept HA SER 69 - QD2 LEU 43 10.000% * 3.8160% (0.25 0.78 1.67) = 3.816% kept HA PRO 31 - QD2 LEU 74 10.000% * 3.5874% (0.35 0.52 0.02) = 3.587% kept HA ILE 68 - QD2 LEU 43 10.000% * 1.6666% (0.10 0.84 0.61) = 1.667% kept HA HIS+ 98 - QD2 LEU 74 10.000% * 0.4553% (0.24 0.10 0.02) = 0.455% HA MET 97 - QD2 LEU 43 10.000% * 0.1102% (0.28 0.02 0.02) = 0.110% HA PRO 31 - QD2 LEU 43 10.000% * 0.0479% (0.12 0.02 2.32) = 0.048% HA HIS+ 98 - QD2 LEU 43 10.000% * 0.0324% (0.08 0.02 0.02) = 0.032% Peak 3439 (3.94, 0.45, 25.58 ppm): 6 chemical-shift based assignments, quality = 0.839, support = 5.55, residual support = 158.1: * T HA LEU 74 - QD2 LEU 74 16.667% * 99.4551% (0.84 10.00 5.58 158.96) = 99.455% kept T HA LEU 74 - QD2 LEU 43 16.667% * 0.3458% (0.29 10.00 0.02 1.31) = 0.346% HA1 GLY 114 - QD2 LEU 74 16.667% * 0.0949% (0.81 1.00 0.02 0.02) = 0.095% HB THR 96 - QD2 LEU 74 16.667% * 0.0528% (0.45 1.00 0.02 0.02) = 0.053% HA1 GLY 114 - QD2 LEU 43 16.667% * 0.0330% (0.28 1.00 0.02 0.02) = 0.033% HB THR 96 - QD2 LEU 43 16.667% * 0.0184% (0.16 1.00 0.02 0.02) = 0.018% Peak 3440 (2.28, 0.45, 25.58 ppm): 20 chemical-shift based assignments, quality = 0.64, support = 2.24, residual support = 16.1: HG3 GLU- 75 - QD2 LEU 74 5.000% * 38.7538% (0.68 3.14 27.89) = 38.754% kept HB2 LYS+ 44 - QD2 LEU 43 5.000% * 18.1739% (0.28 3.58 27.76) = 18.174% kept HG2 PRO 112 - QD2 LEU 74 5.000% * 17.1935% (0.81 1.16 0.48) = 17.193% kept HB3 PRO 112 - QD2 LEU 74 5.000% * 12.4801% (0.79 0.87 0.48) = 12.480% kept HB2 LYS+ 44 - QD2 LEU 74 5.000% * 9.3949% (0.81 0.64 0.61) = 9.395% kept HB VAL 80 - QD2 LEU 43 5.000% * 1.7005% (0.21 0.44 4.17) = 1.701% kept HB VAL 80 - QD2 LEU 74 5.000% * 1.1133% (0.62 0.10 0.02) = 1.113% kept HB3 LYS+ 117 - QD2 LEU 74 5.000% * 0.2471% (0.68 0.02 1.02) = 0.247% HG3 GLU- 54 - QD2 LEU 74 5.000% * 0.1158% (0.32 0.02 0.02) = 0.116% HB3 PRO 116 - QD2 LEU 74 5.000% * 0.1158% (0.32 0.02 0.02) = 0.116% HG2 PRO 112 - QD2 LEU 43 5.000% * 0.1027% (0.28 0.02 0.02) = 0.103% HB3 PRO 112 - QD2 LEU 43 5.000% * 0.0995% (0.27 0.02 0.02) = 0.100% HG2 GLU- 64 - QD2 LEU 74 5.000% * 0.0952% (0.26 0.02 0.02) = 0.095% HG3 GLU- 107 - QD2 LEU 74 5.000% * 0.0952% (0.26 0.02 0.72) = 0.095% HB3 LYS+ 117 - QD2 LEU 43 5.000% * 0.0859% (0.24 0.02 0.02) = 0.086% HG3 GLU- 75 - QD2 LEU 43 5.000% * 0.0859% (0.24 0.02 0.02) = 0.086% HB3 PRO 116 - QD2 LEU 43 5.000% * 0.0403% (0.11 0.02 0.02) = 0.040% HG3 GLU- 54 - QD2 LEU 43 5.000% * 0.0403% (0.11 0.02 0.02) = 0.040% HG2 GLU- 64 - QD2 LEU 43 5.000% * 0.0331% (0.09 0.02 0.02) = 0.033% HG3 GLU- 107 - QD2 LEU 43 5.000% * 0.0331% (0.09 0.02 0.02) = 0.033% Peak 3441 (7.97, 3.44, 66.51 ppm): 4 chemical-shift based assignments, quality = 0.43, support = 2.41, residual support = 3.31: HN LEU 43 - HA VAL 62 25.000% * 54.8819% (0.50 2.31 3.21) = 54.882% kept * HN LEU 43 - HA VAL 40 25.000% * 31.2643% (0.19 3.48 4.76) = 31.264% kept HN LYS+ 72 - HA VAL 62 25.000% * 13.6056% (0.69 0.42 0.41) = 13.606% kept HN LYS+ 72 - HA VAL 40 25.000% * 0.2483% (0.26 0.02 0.02) = 0.248% Peak 3442 (7.88, 3.44, 66.51 ppm): 8 chemical-shift based assignments, quality = 0.713, support = 1.51, residual support = 0.85: HN LYS+ 44 - HA VAL 62 12.500% * 68.5402% (0.90 1.76 1.08) = 68.540% kept * HN LYS+ 44 - HA VAL 40 12.500% * 19.4243% (0.34 1.31 0.30) = 19.424% kept HN THR 38 - HA VAL 40 12.500% * 5.5899% (0.20 0.63 0.90) = 5.590% kept HN LEU 90 - HA VAL 40 12.500% * 4.3713% (0.36 0.28 0.02) = 4.371% kept HN LEU 90 - HA VAL 62 12.500% * 0.8254% (0.96 0.02 0.02) = 0.825% HD22 ASN 89 - HA VAL 62 12.500% * 0.5669% (0.66 0.02 0.02) = 0.567% HN THR 38 - HA VAL 62 12.500% * 0.4673% (0.54 0.02 0.02) = 0.467% HD22 ASN 89 - HA VAL 40 12.500% * 0.2147% (0.25 0.02 0.02) = 0.215% Peak 3443 (7.06, 3.45, 67.59 ppm): 2 chemical-shift based assignments, quality = 0.854, support = 1.54, residual support = 3.13: * T QD TYR 83 - HA VAL 80 50.000% * 99.9538% (0.85 10.00 1.54 3.13) = 99.954% kept QE PHE 21 - HA VAL 80 50.000% * 0.0462% (0.30 1.00 0.02 0.02) = 0.046% Peak 3444 (7.66, 3.45, 67.59 ppm): 2 chemical-shift based assignments, quality = 0.977, support = 0.745, residual support = 3.11: * HN TYR 83 - HA VAL 80 50.000% * 99.3380% (0.98 0.75 3.13) = 99.338% kept HD21 ASN 89 - HA VAL 80 50.000% * 0.6620% (0.25 0.02 0.02) = 0.662% Peak 3445 (8.58, 3.45, 67.59 ppm): 4 chemical-shift based assignments, quality = 0.927, support = 3.99, residual support = 25.1: * O HN VAL 80 - HA VAL 80 25.000% * 97.7588% (0.93 10.0 4.08 25.64) = 97.759% kept HN VAL 73 - HA VAL 80 25.000% * 1.6466% (0.98 1.0 0.32 0.57) = 1.647% kept HN THR 39 - HA VAL 80 25.000% * 0.5594% (0.91 1.0 0.12 1.10) = 0.559% HN LYS+ 20 - HA VAL 80 25.000% * 0.0353% (0.34 1.0 0.02 0.02) = 0.035% Peak 3446 (6.88, 3.08, 67.44 ppm): 4 chemical-shift based assignments, quality = 0.715, support = 0.99, residual support = 8.57: * QD PHE 21 - HA VAL 47 25.000% * 55.3858% (0.81 1.33 12.42) = 55.386% kept HD21 ASN 119 - HA VAL 47 25.000% * 19.3778% (0.89 0.42 0.21) = 19.378% kept HZ PHE 21 - HA VAL 47 25.000% * 13.1450% (0.31 0.83 12.42) = 13.145% kept HD22 ASN 15 - HA VAL 47 25.000% * 12.0914% (0.44 0.53 0.11) = 12.091% kept Peak 3447 (8.36, 3.08, 67.44 ppm): 5 chemical-shift based assignments, quality = 0.753, support = 0.43, residual support = 0.18: HN LYS+ 108 - HA VAL 47 20.000% * 32.7483% (0.87 0.46 0.02) = 32.748% kept HN ALA 103 - HA VAL 47 20.000% * 32.7174% (0.69 0.58 0.51) = 32.717% kept HN GLY 71 - HA VAL 47 20.000% * 17.1056% (0.87 0.24 0.02) = 17.106% kept HN GLU- 109 - HA VAL 47 20.000% * 14.1552% (0.62 0.28 0.02) = 14.155% kept HN GLU- 50 - HA VAL 47 20.000% * 3.2735% (0.18 0.23 0.02) = 3.274% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3448 (4.56, 1.65, 26.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3449 (7.60, 1.37, 26.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3450 (7.61, 1.65, 26.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3451 (9.26, 0.91, 26.07 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 2.31, residual support = 8.63: * HN ILE 100 - QD1 LEU 67 100.000% *100.0000% (0.76 2.31 8.63) = 100.000% kept Peak 3452 (4.77, 1.41, 25.08 ppm): 1 chemical-shift based assignment, quality = 0.489, support = 0.502, residual support = 0.967: HA ASN 15 - HG3 LYS+ 113 100.000% *100.0000% (0.49 0.50 0.97) = 100.000% kept Peak 3453 (8.23, 1.27, 24.84 ppm): 22 chemical-shift based assignments, quality = 0.74, support = 2.99, residual support = 28.0: * HN LYS+ 81 - HG2 LYS+ 81 4.545% * 53.5487% (0.79 4.99 51.89) = 53.549% kept HN GLU- 12 - HG2 LYS+ 81 4.545% * 7.4944% (0.73 0.75 0.24) = 7.494% kept HN LYS+ 81 - HG2 LYS+ 32 4.545% * 7.3710% (0.93 0.58 0.02) = 7.371% kept HN THR 106 - HG2 LYS+ 81 4.545% * 6.9345% (0.37 1.39 2.05) = 6.934% kept HN VAL 94 - HG2 LYS+ 81 4.545% * 6.0040% (0.43 1.03 0.28) = 6.004% kept HN LEU 67 - HG2 LYS+ 32 4.545% * 5.5268% (0.93 0.44 0.02) = 5.527% kept HN GLY 58 - HG2 LYS+ 32 4.545% * 4.9096% (0.96 0.37 0.02) = 4.910% kept HN SER 49 - HG2 LYS+ 32 4.545% * 4.2071% (0.95 0.33 0.02) = 4.207% kept HN ASP- 115 - HG2 LYS+ 81 4.545% * 1.4893% (0.31 0.36 0.02) = 1.489% kept HN VAL 105 - HG2 LYS+ 81 4.545% * 0.6305% (0.40 0.12 0.31) = 0.631% HN ALA 11 - HG2 LYS+ 81 4.545% * 0.2862% (0.28 0.08 0.02) = 0.286% HN GLU- 12 - HG2 LYS+ 32 4.545% * 0.2358% (0.87 0.02 0.02) = 0.236% HN GLY 58 - HG2 LYS+ 81 4.545% * 0.2219% (0.81 0.02 0.02) = 0.222% HN SER 49 - HG2 LYS+ 81 4.545% * 0.2180% (0.80 0.02 0.02) = 0.218% HN LEU 67 - HG2 LYS+ 81 4.545% * 0.2147% (0.79 0.02 0.02) = 0.215% HN VAL 94 - HG2 LYS+ 32 4.545% * 0.1383% (0.51 0.02 0.02) = 0.138% HN VAL 105 - HG2 LYS+ 32 4.545% * 0.1280% (0.47 0.02 0.02) = 0.128% HN THR 106 - HG2 LYS+ 32 4.545% * 0.1179% (0.43 0.02 0.02) = 0.118% HN ASP- 115 - HG2 LYS+ 32 4.545% * 0.0987% (0.36 0.02 0.02) = 0.099% HN ALA 11 - HG2 LYS+ 32 4.545% * 0.0897% (0.33 0.02 0.02) = 0.090% HN GLU- 45 - HG2 LYS+ 32 4.545% * 0.0731% (0.27 0.02 0.02) = 0.073% HN GLU- 45 - HG2 LYS+ 81 4.545% * 0.0618% (0.23 0.02 0.23) = 0.062% Peak 3454 (7.34, 1.27, 24.84 ppm): 12 chemical-shift based assignments, quality = 0.868, support = 3.18, residual support = 18.4: * QE PHE 34 - HG2 LYS+ 32 8.333% * 40.8367% (0.96 4.47 21.84) = 40.837% kept HZ PHE 34 - HG2 LYS+ 32 8.333% * 24.6767% (0.96 2.70 21.84) = 24.677% kept QD PHE 34 - HG2 LYS+ 32 8.333% * 16.7961% (0.62 2.82 21.84) = 16.796% kept HZ2 TRP 51 - HG2 LYS+ 32 8.333% * 12.5369% (0.96 1.37 1.20) = 12.537% kept HN ARG+ 84 - HG2 LYS+ 81 8.333% * 3.8848% (0.43 0.95 7.16) = 3.885% kept HN VAL 47 - HG2 LYS+ 32 8.333% * 0.5195% (0.55 0.10 0.02) = 0.519% HZ2 TRP 51 - HG2 LYS+ 81 8.333% * 0.1545% (0.81 0.02 0.02) = 0.154% QE PHE 34 - HG2 LYS+ 81 8.333% * 0.1545% (0.81 0.02 0.02) = 0.154% HZ PHE 34 - HG2 LYS+ 81 8.333% * 0.1545% (0.81 0.02 0.02) = 0.154% QD PHE 34 - HG2 LYS+ 81 8.333% * 0.1008% (0.53 0.02 0.02) = 0.101% HN ARG+ 84 - HG2 LYS+ 32 8.333% * 0.0969% (0.51 0.02 0.02) = 0.097% HN VAL 47 - HG2 LYS+ 81 8.333% * 0.0882% (0.46 0.02 0.02) = 0.088% Peak 3455 (4.48, 1.27, 24.84 ppm): 18 chemical-shift based assignments, quality = 0.913, support = 3.51, residual support = 35.4: * O HA LYS+ 32 - HG2 LYS+ 32 5.556% * 93.0915% (0.96 10.0 3.75 37.97) = 93.091% kept HA LYS+ 32 - HG2 LYS+ 81 5.556% * 1.5324% (0.81 1.0 0.39 0.02) = 1.532% kept HB THR 79 - HG2 LYS+ 81 5.556% * 1.3736% (0.31 1.0 0.93 1.01) = 1.374% kept HA CYS 123 - HG2 LYS+ 81 5.556% * 0.9530% (0.59 1.0 0.33 0.02) = 0.953% HA SER 77 - HG2 LYS+ 81 5.556% * 0.9530% (0.59 1.0 0.33 0.02) = 0.953% HA ILE 100 - HG2 LYS+ 32 5.556% * 0.8837% (0.74 1.0 0.25 0.02) = 0.884% HA LYS+ 55 - HG2 LYS+ 32 5.556% * 0.4426% (0.17 1.0 0.54 1.22) = 0.443% HA CYS 123 - HG2 LYS+ 32 5.556% * 0.2597% (0.70 1.0 0.08 0.02) = 0.260% HA MET 126 - HG2 LYS+ 32 5.556% * 0.0861% (0.89 1.0 0.02 0.02) = 0.086% HA MET 126 - HG2 LYS+ 81 5.556% * 0.0729% (0.75 1.0 0.02 0.02) = 0.073% HA GLN 102 - HG2 LYS+ 32 5.556% * 0.0713% (0.74 1.0 0.02 1.27) = 0.071% HA SER 77 - HG2 LYS+ 32 5.556% * 0.0677% (0.70 1.0 0.02 0.02) = 0.068% HA GLN 102 - HG2 LYS+ 81 5.556% * 0.0603% (0.62 1.0 0.02 0.02) = 0.060% HA ILE 100 - HG2 LYS+ 81 5.556% * 0.0603% (0.62 1.0 0.02 0.02) = 0.060% HB THR 79 - HG2 LYS+ 32 5.556% * 0.0350% (0.36 1.0 0.02 0.02) = 0.035% HA GLU- 50 - HG2 LYS+ 32 5.556% * 0.0233% (0.24 1.0 0.02 0.02) = 0.023% HA GLU- 50 - HG2 LYS+ 81 5.556% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% HA LYS+ 55 - HG2 LYS+ 81 5.556% * 0.0138% (0.14 1.0 0.02 0.02) = 0.014% Peak 3456 (3.49, 1.13, 24.84 ppm): 2 chemical-shift based assignments, quality = 0.947, support = 1.09, residual support = 5.71: HA1 GLY 30 - HG3 LYS+ 32 50.000% * 99.6399% (0.95 1.10 5.73) = 99.640% kept HA1 GLY 71 - HG3 LYS+ 32 50.000% * 0.3601% (0.19 0.02 0.02) = 0.360% Peak 3457 (3.49, 1.27, 24.84 ppm): 4 chemical-shift based assignments, quality = 0.955, support = 1.1, residual support = 5.61: HA1 GLY 30 - HG2 LYS+ 32 25.000% * 97.8862% (0.96 1.12 5.73) = 97.886% kept HA1 GLY 30 - HG2 LYS+ 81 25.000% * 1.4754% (0.81 0.02 0.02) = 1.475% kept HA1 GLY 71 - HG2 LYS+ 32 25.000% * 0.3458% (0.19 0.02 0.02) = 0.346% HA1 GLY 71 - HG2 LYS+ 81 25.000% * 0.2926% (0.16 0.02 0.02) = 0.293% Peak 3458 (3.18, 0.93, 24.69 ppm): 4 chemical-shift based assignments, quality = 0.241, support = 0.82, residual support = 0.872: * T HD3 ARG+ 84 - QD1 LEU 17 25.000% * 49.9287% (0.21 10.00 0.95 1.73) = 49.929% kept T HD3 ARG+ 84 - QG2 VAL 40 25.000% * 48.0677% (0.27 10.00 0.71 0.02) = 48.068% kept T HB3 PHE 34 - QG2 VAL 40 25.000% * 1.1280% (0.23 10.00 0.02 0.02) = 1.128% kept T HB3 PHE 34 - QD1 LEU 17 25.000% * 0.8756% (0.18 10.00 0.02 0.02) = 0.876% Peak 3459 (8.99, 0.93, 24.65 ppm): 4 chemical-shift based assignments, quality = 0.0762, support = 2.44, residual support = 11.8: HN ILE 19 - QD1 LEU 17 25.000% * 84.9896% (0.08 2.71 13.75) = 84.990% kept HN MET 97 - QD1 LEU 17 25.000% * 13.1587% (0.03 1.07 0.94) = 13.159% kept HN ILE 19 - QG2 VAL 40 25.000% * 1.3291% (0.17 0.02 0.02) = 1.329% kept HN MET 97 - QG2 VAL 40 25.000% * 0.5227% (0.07 0.02 0.02) = 0.523% Reference assignment not found: HN LEU 17 - QD1 LEU 17 Peak 3460 (8.61, 1.03, 24.99 ppm): 4 chemical-shift based assignments, quality = 0.679, support = 3.68, residual support = 31.1: * HN LYS+ 20 - HG3 LYS+ 20 25.000% * 91.0089% (0.71 4.00 34.11) = 91.009% kept HN SER 85 - HG3 LYS+ 20 25.000% * 4.6992% (0.44 0.33 0.02) = 4.699% kept HN THR 39 - HG3 LYS+ 20 25.000% * 4.1952% (0.17 0.76 0.50) = 4.195% kept HN VAL 80 - HG3 LYS+ 20 25.000% * 0.0968% (0.15 0.02 0.02) = 0.097% Peak 3461 (7.83, 1.28, 25.06 ppm): 6 chemical-shift based assignments, quality = 0.221, support = 0.602, residual support = 1.01: HN LYS+ 55 - HG2 LYS+ 32 16.667% * 82.5661% (0.22 0.72 1.22) = 82.566% kept HN LYS+ 55 - HG2 LYS+ 81 16.667% * 6.1270% (0.12 0.10 0.02) = 6.127% kept HN LYS+ 63 - HG2 LYS+ 32 16.667% * 4.7432% (0.46 0.02 0.02) = 4.743% kept HN ALA 93 - HG2 LYS+ 81 16.667% * 3.1833% (0.05 0.13 0.11) = 3.183% kept HN LYS+ 63 - HG2 LYS+ 81 16.667% * 2.4417% (0.24 0.02 0.02) = 2.442% kept HN ALA 93 - HG2 LYS+ 32 16.667% * 0.9387% (0.09 0.02 0.02) = 0.939% Peak 3462 (4.78, 1.28, 25.06 ppm): 4 chemical-shift based assignments, quality = 0.246, support = 0.569, residual support = 0.752: HA ASN 15 - HG2 LYS+ 81 25.000% * 91.5724% (0.24 0.62 0.82) = 91.572% kept HA ASN 15 - HG2 LYS+ 32 25.000% * 5.7427% (0.46 0.02 0.02) = 5.743% kept HA LEU 23 - HG2 LYS+ 32 25.000% * 1.7725% (0.14 0.02 0.02) = 1.772% kept HA LEU 23 - HG2 LYS+ 81 25.000% * 0.9124% (0.07 0.02 0.28) = 0.912% Peak 3463 (4.51, 1.40, 25.25 ppm): 6 chemical-shift based assignments, quality = 0.104, support = 0.406, residual support = 0.786: HA LYS+ 55 - HG3 LYS+ 113 16.667% * 88.3993% (0.11 0.46 0.89) = 88.399% kept HB THR 46 - HG3 LYS+ 113 16.667% * 4.0148% (0.11 0.02 0.02) = 4.015% kept HB THR 79 - HG3 LYS+ 113 16.667% * 2.9742% (0.08 0.02 0.02) = 2.974% kept HA CYS 123 - HG3 LYS+ 113 16.667% * 1.5372% (0.04 0.02 0.02) = 1.537% kept HA ALA 103 - HG3 LYS+ 113 16.667% * 1.5372% (0.04 0.02 0.02) = 1.537% kept HA SER 77 - HG3 LYS+ 113 16.667% * 1.5372% (0.04 0.02 0.02) = 1.537% kept Not enough quality. Peak unassigned. Peak 3464 (4.10, 1.40, 25.25 ppm): 6 chemical-shift based assignments, quality = 0.111, support = 0.629, residual support = 1.18: HA LYS+ 63 - HG3 LYS+ 113 16.667% * 90.6783% (0.11 0.69 1.30) = 90.678% kept HA ALA 70 - HG3 LYS+ 113 16.667% * 2.5915% (0.11 0.02 0.02) = 2.591% kept HA THR 24 - HG3 LYS+ 113 16.667% * 2.3711% (0.10 0.02 0.02) = 2.371% kept HB3 SER 49 - HG3 LYS+ 113 16.667% * 2.0314% (0.09 0.02 0.02) = 2.031% kept HA THR 46 - HG3 LYS+ 113 16.667% * 1.9198% (0.08 0.02 0.02) = 1.920% kept HA ARG+ 53 - HG3 LYS+ 113 16.667% * 0.4079% (0.02 0.02 0.02) = 0.408% Not enough quality. Peak unassigned. Peak 3465 (2.23, 1.46, 27.63 ppm): 30 chemical-shift based assignments, quality = 0.863, support = 4.49, residual support = 114.8: O HB2 PRO 52 - HG3 PRO 52 3.333% * 95.3919% (0.89 10.0 4.63 119.95) = 95.392% kept HA1 GLY 58 - HG2 PRO 59 3.333% * 2.2280% (0.14 1.0 2.97 17.89) = 2.228% kept HG2 PRO 112 - HG3 PRO 52 3.333% * 1.2478% (0.94 1.0 0.25 0.02) = 1.248% kept HG3 GLU- 109 - HG3 PRO 52 3.333% * 0.0954% (0.89 1.0 0.02 0.02) = 0.095% HB3 GLU- 45 - HG3 PRO 52 3.333% * 0.0931% (0.87 1.0 0.02 0.02) = 0.093% HG3 GLN 102 - HG3 PRO 52 3.333% * 0.0875% (0.82 1.0 0.02 0.02) = 0.087% HG3 GLN 16 - HG3 PRO 52 3.333% * 0.0875% (0.82 1.0 0.02 0.12) = 0.087% HG3 GLU- 10 - HG3 PRO 52 3.333% * 0.0842% (0.79 1.0 0.02 0.02) = 0.084% HG3 GLU- 18 - HG3 PRO 52 3.333% * 0.0771% (0.72 1.0 0.02 0.02) = 0.077% HB2 GLU- 50 - HG3 PRO 52 3.333% * 0.0693% (0.65 1.0 0.02 0.30) = 0.069% HB3 ASN 15 - HG3 PRO 52 3.333% * 0.0693% (0.65 1.0 0.02 0.02) = 0.069% HA1 GLY 58 - HG3 PRO 52 3.333% * 0.0571% (0.53 1.0 0.02 0.02) = 0.057% HG3 MET 97 - HG3 PRO 52 3.333% * 0.0571% (0.53 1.0 0.02 0.02) = 0.057% HG3 MET 126 - HG3 PRO 52 3.333% * 0.0452% (0.42 1.0 0.02 0.02) = 0.045% HG2 PRO 112 - HG2 PRO 59 3.333% * 0.0265% (0.25 1.0 0.02 0.02) = 0.026% HG3 GLU- 107 - HG3 PRO 52 3.333% * 0.0251% (0.23 1.0 0.02 0.02) = 0.025% HB2 PRO 52 - HG2 PRO 59 3.333% * 0.0251% (0.23 1.0 0.02 0.02) = 0.025% HG3 GLU- 109 - HG2 PRO 59 3.333% * 0.0251% (0.23 1.0 0.02 0.02) = 0.025% HB3 GLU- 45 - HG2 PRO 59 3.333% * 0.0245% (0.23 1.0 0.02 0.02) = 0.024% HG3 GLN 102 - HG2 PRO 59 3.333% * 0.0230% (0.21 1.0 0.02 0.02) = 0.023% HG3 GLN 16 - HG2 PRO 59 3.333% * 0.0230% (0.21 1.0 0.02 0.55) = 0.023% HG3 GLU- 10 - HG2 PRO 59 3.333% * 0.0221% (0.21 1.0 0.02 0.02) = 0.022% HG3 GLU- 18 - HG2 PRO 59 3.333% * 0.0203% (0.19 1.0 0.02 0.02) = 0.020% HG3 GLU- 54 - HG3 PRO 52 3.333% * 0.0200% (0.19 1.0 0.02 8.58) = 0.020% HB2 GLU- 50 - HG2 PRO 59 3.333% * 0.0182% (0.17 1.0 0.02 0.83) = 0.018% HB3 ASN 15 - HG2 PRO 59 3.333% * 0.0182% (0.17 1.0 0.02 0.02) = 0.018% HG3 MET 97 - HG2 PRO 59 3.333% * 0.0150% (0.14 1.0 0.02 0.02) = 0.015% HG3 MET 126 - HG2 PRO 59 3.333% * 0.0119% (0.11 1.0 0.02 0.02) = 0.012% HG3 GLU- 107 - HG2 PRO 59 3.333% * 0.0066% (0.06 1.0 0.02 0.02) = 0.007% HG3 GLU- 54 - HG2 PRO 59 3.333% * 0.0052% (0.05 1.0 0.02 0.02) = 0.005% Peak 3466 (2.23, 1.68, 27.63 ppm): 28 chemical-shift based assignments, quality = 0.725, support = 5.09, residual support = 100.5: O HB2 PRO 52 - HG2 PRO 52 3.571% * 83.7801% (0.78 10.0 1.00 6.02 119.95) = 83.780% kept T HG3 GLN 16 - HG2 PRO 52 3.571% * 6.2358% (0.57 1.0 10.00 0.20 0.12) = 6.236% kept HB2 GLU- 50 - HG2 PRO 52 3.571% * 3.0879% (0.65 1.0 1.00 0.88 0.30) = 3.088% kept HG2 PRO 112 - HG3 ARG+ 84 3.571% * 1.0483% (0.63 1.0 1.00 0.31 0.02) = 1.048% kept HG2 PRO 112 - HG2 PRO 52 3.571% * 1.0399% (0.78 1.0 1.00 0.25 0.02) = 1.040% kept T HG3 GLN 102 - HG2 PRO 52 3.571% * 0.8103% (0.76 1.0 10.00 0.02 0.02) = 0.810% T HG3 GLN 102 - HG3 ARG+ 84 3.571% * 0.6484% (0.60 1.0 10.00 0.02 0.02) = 0.648% T HG3 MET 97 - HG2 PRO 52 3.571% * 0.6097% (0.57 1.0 10.00 0.02 0.02) = 0.610% T HG3 MET 126 - HG2 PRO 52 3.571% * 0.5093% (0.47 1.0 10.00 0.02 0.02) = 0.509% T HG3 GLN 16 - HG3 ARG+ 84 3.571% * 0.4879% (0.45 1.0 10.00 0.02 0.02) = 0.488% T HG3 MET 97 - HG3 ARG+ 84 3.571% * 0.4879% (0.45 1.0 10.00 0.02 0.02) = 0.488% T HG3 MET 126 - HG3 ARG+ 84 3.571% * 0.4075% (0.38 1.0 10.00 0.02 0.02) = 0.407% HG3 GLU- 109 - HG2 PRO 52 3.571% * 0.0838% (0.78 1.0 1.00 0.02 0.02) = 0.084% HG3 GLU- 18 - HG2 PRO 52 3.571% * 0.0753% (0.70 1.0 1.00 0.02 0.02) = 0.075% HB3 GLU- 45 - HG2 PRO 52 3.571% * 0.0672% (0.63 1.0 1.00 0.02 0.02) = 0.067% HG3 GLU- 109 - HG3 ARG+ 84 3.571% * 0.0670% (0.62 1.0 1.00 0.02 0.02) = 0.067% HB2 PRO 52 - HG3 ARG+ 84 3.571% * 0.0670% (0.62 1.0 1.00 0.02 0.02) = 0.067% HA1 GLY 58 - HG2 PRO 52 3.571% * 0.0610% (0.57 1.0 1.00 0.02 0.02) = 0.061% HG3 GLU- 18 - HG3 ARG+ 84 3.571% * 0.0603% (0.56 1.0 1.00 0.02 3.02) = 0.060% HG3 GLU- 10 - HG2 PRO 52 3.571% * 0.0577% (0.54 1.0 1.00 0.02 0.02) = 0.058% HB2 GLU- 50 - HG3 ARG+ 84 3.571% * 0.0561% (0.52 1.0 1.00 0.02 0.02) = 0.056% HB3 GLU- 45 - HG3 ARG+ 84 3.571% * 0.0538% (0.50 1.0 1.00 0.02 0.02) = 0.054% HA1 GLY 58 - HG3 ARG+ 84 3.571% * 0.0488% (0.45 1.0 1.00 0.02 0.02) = 0.049% HG3 GLU- 10 - HG3 ARG+ 84 3.571% * 0.0462% (0.43 1.0 1.00 0.02 0.02) = 0.046% HB3 ASN 15 - HG2 PRO 52 3.571% * 0.0442% (0.41 1.0 1.00 0.02 0.02) = 0.044% HB3 ASN 15 - HG3 ARG+ 84 3.571% * 0.0353% (0.33 1.0 1.00 0.02 0.02) = 0.035% HG3 GLU- 107 - HG2 PRO 52 3.571% * 0.0130% (0.12 1.0 1.00 0.02 0.02) = 0.013% HG3 GLU- 107 - HG3 ARG+ 84 3.571% * 0.0104% (0.10 1.0 1.00 0.02 0.02) = 0.010% Peak 3467 (0.28, 1.63, 27.60 ppm): 4 chemical-shift based assignments, quality = 0.611, support = 0.593, residual support = 0.915: T QD2 LEU 23 - HG12 ILE 101 25.000% * 54.6224% (0.82 10.00 0.45 0.50) = 54.622% kept T QG1 VAL 122 - HG3 ARG+ 84 25.000% * 42.0200% (0.34 10.00 0.83 1.53) = 42.020% kept T QG1 VAL 122 - HG12 ILE 101 25.000% * 2.2621% (0.76 10.00 0.02 0.02) = 2.262% kept T QD2 LEU 23 - HG3 ARG+ 84 25.000% * 1.0955% (0.37 10.00 0.02 0.02) = 1.095% kept Peak 3470 (3.99, 0.68, 28.31 ppm): 4 chemical-shift based assignments, quality = 0.8, support = 2.52, residual support = 31.7: * T HB THR 95 - HG12 ILE 19 25.000% * 93.8061% (0.80 10.00 2.63 33.75) = 93.806% kept HA1 GLY 92 - HG12 ILE 19 25.000% * 5.0039% (0.86 1.00 0.99 0.71) = 5.004% kept HA THR 38 - HG12 ILE 19 25.000% * 1.1588% (0.62 1.00 0.32 0.02) = 1.159% kept HA VAL 13 - HG12 ILE 19 25.000% * 0.0312% (0.27 1.00 0.02 0.02) = 0.031% Peak 3471 (4.87, 0.68, 28.31 ppm): 3 chemical-shift based assignments, quality = 0.811, support = 5.59, residual support = 93.1: * O HA ILE 19 - HG12 ILE 19 33.333% * 96.1970% (0.83 10.0 5.74 96.53) = 96.197% kept HA THR 96 - HG12 ILE 19 33.333% * 3.7357% (0.33 1.0 1.98 5.70) = 3.736% kept HA ASP- 115 - HG12 ILE 19 33.333% * 0.0673% (0.58 1.0 0.02 0.02) = 0.067% Peak 3472 (0.92, 0.73, 28.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3473 (1.39, 0.73, 28.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3475 (4.17, 1.38, 28.44 ppm): 7 chemical-shift based assignments, quality = 0.656, support = 1.32, residual support = 1.42: HB3 SER 49 - HG13 ILE 68 14.286% * 28.9677% (0.71 1.52 1.95) = 28.968% kept * HA VAL 73 - HG13 ILE 68 14.286% * 24.9883% (0.65 1.43 1.95) = 24.988% kept HA VAL 105 - HG13 ILE 68 14.286% * 21.0305% (0.65 1.20 0.60) = 21.031% kept HA VAL 65 - HG13 ILE 68 14.286% * 20.4519% (0.60 1.27 1.17) = 20.452% kept HB THR 106 - HG13 ILE 68 14.286% * 4.2946% (0.65 0.25 0.02) = 4.295% kept HA VAL 87 - HG13 ILE 68 14.286% * 0.1964% (0.37 0.02 0.02) = 0.196% HB2 SER 88 - HG13 ILE 68 14.286% * 0.0707% (0.13 0.02 0.02) = 0.071% Peak 3476 (4.48, 1.39, 28.01 ppm): 18 chemical-shift based assignments, quality = 0.777, support = 5.2, residual support = 66.2: * O HA ILE 100 - HG13 ILE 100 5.556% * 97.2867% (0.78 10.0 5.33 68.06) = 97.287% kept HA GLN 102 - HG13 ILE 100 5.556% * 2.0805% (0.78 1.0 0.43 0.14) = 2.080% kept HA MET 126 - HG13 ILE 100 5.556% * 0.1052% (0.85 1.0 0.02 0.02) = 0.105% HA LYS+ 32 - HG13 ILE 100 5.556% * 0.1017% (0.82 1.0 0.02 0.02) = 0.102% HA SER 77 - HG13 ILE 100 5.556% * 0.0554% (0.45 1.0 0.02 0.02) = 0.055% HA CYS 123 - HG13 ILE 100 5.556% * 0.0554% (0.45 1.0 0.02 0.02) = 0.055% HA GLU- 50 - HG13 ILE 100 5.556% * 0.0433% (0.35 1.0 0.02 1.00) = 0.043% HA MET 126 - HG13 ILE 68 5.556% * 0.0386% (0.31 1.0 0.02 0.02) = 0.039% HA LYS+ 32 - HG13 ILE 68 5.556% * 0.0373% (0.30 1.0 0.02 0.02) = 0.037% HA GLN 102 - HG13 ILE 68 5.556% * 0.0357% (0.29 1.0 0.02 0.02) = 0.036% HA ILE 100 - HG13 ILE 68 5.556% * 0.0357% (0.29 1.0 0.02 0.93) = 0.036% HA MET 118 - HG13 ILE 100 5.556% * 0.0263% (0.21 1.0 0.02 0.02) = 0.026% HB THR 79 - HG13 ILE 100 5.556% * 0.0235% (0.19 1.0 0.02 0.02) = 0.023% HA SER 77 - HG13 ILE 68 5.556% * 0.0203% (0.16 1.0 0.02 0.02) = 0.020% HA CYS 123 - HG13 ILE 68 5.556% * 0.0203% (0.16 1.0 0.02 0.02) = 0.020% HA GLU- 50 - HG13 ILE 68 5.556% * 0.0159% (0.13 1.0 0.02 0.02) = 0.016% HA MET 118 - HG13 ILE 68 5.556% * 0.0096% (0.08 1.0 0.02 0.02) = 0.010% HB THR 79 - HG13 ILE 68 5.556% * 0.0086% (0.07 1.0 0.02 0.02) = 0.009% Peak 3477 (3.29, 1.68, 27.61 ppm): 8 chemical-shift based assignments, quality = 0.706, support = 4.79, residual support = 111.6: O T HD2 PRO 52 - HG2 PRO 52 12.500% * 91.5144% (0.73 10.0 10.00 5.00 119.95) = 91.514% kept HD3 ARG+ 53 - HG2 PRO 52 12.500% * 7.6783% (0.44 1.0 1.00 2.80 23.29) = 7.678% kept HD3 ARG+ 22 - HG3 ARG+ 84 12.500% * 0.4628% (0.58 1.0 1.00 0.13 0.02) = 0.463% HD3 ARG+ 22 - HG2 PRO 52 12.500% * 0.0868% (0.70 1.0 1.00 0.02 0.02) = 0.087% HD2 PRO 52 - HG3 ARG+ 84 12.500% * 0.0764% (0.61 1.0 1.00 0.02 0.02) = 0.076% HE3 LYS+ 63 - HG2 PRO 52 12.500% * 0.0739% (0.59 1.0 1.00 0.02 1.22) = 0.074% HE3 LYS+ 63 - HG3 ARG+ 84 12.500% * 0.0617% (0.50 1.0 1.00 0.02 0.02) = 0.062% HD3 ARG+ 53 - HG3 ARG+ 84 12.500% * 0.0457% (0.37 1.0 1.00 0.02 0.02) = 0.046% Peak 3479 (3.13, 1.56, 27.31 ppm): 5 chemical-shift based assignments, quality = 0.195, support = 0.647, residual support = 0.746: HB3 HIS+ 98 - HG LEU 17 20.000% * 89.8535% (0.19 0.72 0.83) = 89.853% kept HE3 LYS+ 108 - HG LEU 17 20.000% * 3.1600% (0.24 0.02 0.02) = 3.160% kept HE3 LYS+ 117 - HG LEU 17 20.000% * 3.1600% (0.24 0.02 0.02) = 3.160% kept HE3 LYS+ 72 - HG LEU 17 20.000% * 3.0975% (0.24 0.02 0.02) = 3.097% kept HB3 ASP- 25 - HG LEU 17 20.000% * 0.7290% (0.06 0.02 0.02) = 0.729% Not enough quality. Peak unassigned. Peak 3480 (4.55, 1.56, 27.31 ppm): 4 chemical-shift based assignments, quality = 0.248, support = 4.3, residual support = 88.3: * O HA LEU 17 - HG LEU 17 25.000% * 99.8765% (0.25 10.0 4.31 88.43) = 99.877% kept HA ALA 103 - HG LEU 17 25.000% * 0.0807% (0.20 1.0 0.02 0.02) = 0.081% HA LYS+ 78 - HG LEU 17 25.000% * 0.0251% (0.06 1.0 0.02 0.02) = 0.025% HB THR 46 - HG LEU 17 25.000% * 0.0176% (0.04 1.0 0.02 0.02) = 0.018% Peak 3482 (3.50, 0.81, 27.87 ppm): 3 chemical-shift based assignments, quality = 0.296, support = 0.421, residual support = 0.704: HA LYS+ 44 - QD2 LEU 67 33.333% * 87.1774% (0.25 0.48 0.80) = 87.177% kept HA1 GLY 30 - QD2 LEU 67 33.333% * 10.5755% (0.72 0.02 0.02) = 10.576% kept HA1 GLY 26 - QD2 LEU 67 33.333% * 2.2471% (0.15 0.02 0.02) = 2.247% kept Reference assignment not found: HA LYS+ 44 - HD3 LYS+ 44 Peak 3483 (5.57, 0.81, 27.87 ppm): 1 chemical-shift based assignment, quality = 0.959, support = 5.97, residual support = 115.0: * T HA LEU 67 - QD2 LEU 67 100.000% *100.0000% (0.96 10.00 5.97 114.96) = 100.000% kept Peak 3484 (7.05, 0.81, 27.87 ppm): 2 chemical-shift based assignments, quality = 0.677, support = 2.4, residual support = 9.98: * T QE PHE 21 - QD2 LEU 67 50.000% * 90.1599% (0.64 10.00 2.50 11.03) = 90.160% kept QD TYR 83 - QD2 LEU 67 50.000% * 9.8401% (0.99 1.00 1.42 0.36) = 9.840% kept Peak 3485 (7.93, 0.81, 27.87 ppm): 1 chemical-shift based assignment, quality = 0.373, support = 0.21, residual support = 0.21: HN LYS+ 72 - QD2 LEU 67 100.000% *100.0000% (0.37 0.21 0.21) = 100.000% kept Reference assignment not found: HN LYS+ 44 - HD3 LYS+ 44 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 3486 (8.27, 0.81, 27.87 ppm): 7 chemical-shift based assignments, quality = 0.421, support = 2.99, residual support = 67.4: * HN LEU 67 - QD2 LEU 67 14.286% * 58.5772% (0.20 4.90 114.96) = 58.577% kept HN THR 106 - QD2 LEU 67 14.286% * 14.0111% (0.72 0.32 0.02) = 14.011% kept HN ASP- 115 - QD2 LEU 67 14.286% * 13.2183% (0.80 0.27 0.02) = 13.218% kept HN ASN 89 - QD2 LEU 67 14.286% * 13.1643% (0.76 0.28 0.13) = 13.164% kept HN ASP- 28 - QD2 LEU 67 14.286% * 0.4537% (0.37 0.02 0.02) = 0.454% HN GLU- 12 - QD2 LEU 67 14.286% * 0.3361% (0.28 0.02 0.02) = 0.336% HN LYS+ 81 - QD2 LEU 67 14.286% * 0.2393% (0.20 0.02 0.02) = 0.239% Peak 3487 (4.18, 0.93, 28.37 ppm): 7 chemical-shift based assignments, quality = 0.854, support = 1.89, residual support = 1.57: * T HA VAL 73 - HG12 ILE 68 14.286% * 33.2443% (0.93 10.00 2.33 1.95) = 33.244% kept T HA VAL 65 - HG12 ILE 68 14.286% * 29.4398% (0.94 10.00 1.76 1.17) = 29.440% kept T HB3 SER 49 - HG12 ILE 68 14.286% * 26.3884% (0.84 10.00 1.77 1.95) = 26.388% kept T HA VAL 105 - HG12 ILE 68 14.286% * 10.2543% (0.46 10.00 1.26 0.60) = 10.254% kept HB THR 106 - HG12 ILE 68 14.286% * 0.6061% (0.46 1.00 0.74 0.02) = 0.606% T HA VAL 87 - HG12 ILE 68 14.286% * 0.0587% (0.16 10.00 0.02 0.02) = 0.059% HA ASP- 82 - HG12 ILE 68 14.286% * 0.0084% (0.23 1.00 0.02 0.02) = 0.008% Peak 3488 (8.87, 0.93, 28.37 ppm): 2 chemical-shift based assignments, quality = 0.833, support = 6.08, residual support = 81.6: * HN ILE 68 - HG12 ILE 68 50.000% * 88.0627% (0.84 6.77 92.61) = 88.063% kept HN ASP- 36 - HG12 ILE 68 50.000% * 11.9373% (0.75 1.03 0.69) = 11.937% kept Peak 3489 (8.87, 1.38, 28.37 ppm): 2 chemical-shift based assignments, quality = 0.797, support = 5.39, residual support = 81.2: * HN ILE 68 - HG13 ILE 68 50.000% * 87.6298% (0.81 6.02 92.61) = 87.630% kept HN ASP- 36 - HG13 ILE 68 50.000% * 12.3702% (0.72 0.95 0.69) = 12.370% kept Peak 3490 (9.25, 1.40, 27.95 ppm): 2 chemical-shift based assignments, quality = 0.874, support = 4.04, residual support = 65.0: * HN ILE 100 - HG13 ILE 100 50.000% * 95.3714% (0.91 4.18 68.06) = 95.371% kept HN ILE 100 - HG13 ILE 68 50.000% * 4.6286% (0.17 1.05 0.93) = 4.629% kept Peak 3491 (7.89, 1.63, 26.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN LEU 90 - HG LEU 90 Peak unassigned. Peak 3492 (9.09, 1.78, 27.37 ppm): 4 chemical-shift based assignments, quality = 0.596, support = 4.64, residual support = 27.3: * HN GLU- 54 - HG3 ARG+ 53 25.000% * 85.5377% (0.60 5.34 31.86) = 85.538% kept HN LYS+ 66 - HG3 ARG+ 53 25.000% * 7.8484% (0.72 0.41 0.02) = 7.848% kept HN GLU- 54 - HG2 ARG+ 84 25.000% * 6.3690% (0.39 0.62 0.02) = 6.369% kept HN LYS+ 66 - HG2 ARG+ 84 25.000% * 0.2450% (0.46 0.02 0.02) = 0.245% Peak 3495 (7.33, 1.66, 27.63 ppm): 18 chemical-shift based assignments, quality = 0.738, support = 3.13, residual support = 26.8: * HN ARG+ 84 - HG3 ARG+ 84 5.556% * 28.9337% (0.68 5.09 76.79) = 28.934% kept QE PHE 34 - HG3 ARG+ 84 5.556% * 22.8892% (0.92 2.98 5.06) = 22.889% kept HZ PHE 34 - HG3 ARG+ 84 5.556% * 16.0515% (0.92 2.09 5.06) = 16.052% kept QD PHE 34 - HG3 ARG+ 84 5.556% * 11.4428% (0.78 1.75 5.06) = 11.443% kept HZ2 TRP 51 - HG2 PRO 52 5.556% * 8.8053% (0.27 3.86 19.28) = 8.805% kept HZ2 TRP 51 - HG3 ARG+ 84 5.556% * 6.4757% (0.92 0.84 1.28) = 6.476% kept HZ2 TRP 51 - HG12 ILE 101 5.556% * 2.7954% (0.27 1.23 7.19) = 2.795% kept QD PHE 34 - HG12 ILE 101 5.556% * 1.4802% (0.23 0.76 0.49) = 1.480% kept HN VAL 47 - HG3 ARG+ 84 5.556% * 0.5404% (0.71 0.09 0.02) = 0.540% QE PHE 34 - HG12 ILE 101 5.556% * 0.2714% (0.27 0.12 0.49) = 0.271% QE PHE 34 - HG2 PRO 52 5.556% * 0.0456% (0.27 0.02 0.02) = 0.046% HZ PHE 34 - HG2 PRO 52 5.556% * 0.0456% (0.27 0.02 0.02) = 0.046% HZ PHE 34 - HG12 ILE 101 5.556% * 0.0456% (0.27 0.02 0.49) = 0.046% QD PHE 34 - HG2 PRO 52 5.556% * 0.0389% (0.23 0.02 0.02) = 0.039% HN VAL 47 - HG2 PRO 52 5.556% * 0.0356% (0.21 0.02 0.02) = 0.036% HN VAL 47 - HG12 ILE 101 5.556% * 0.0356% (0.21 0.02 0.02) = 0.036% HN ARG+ 84 - HG2 PRO 52 5.556% * 0.0338% (0.20 0.02 0.02) = 0.034% HN ARG+ 84 - HG12 ILE 101 5.556% * 0.0338% (0.20 0.02 0.02) = 0.034% Peak 3496 (9.31, 1.57, 26.98 ppm): 2 chemical-shift based assignments, quality = 0.779, support = 2.16, residual support = 14.8: HN ILE 29 - HG LEU 17 50.000% * 86.6376% (0.84 2.38 17.08) = 86.638% kept HN LEU 23 - HG LEU 17 50.000% * 13.3624% (0.41 0.75 0.13) = 13.362% kept Reference assignment not found: HN ILE 29 - HG12 ILE 29 Peak 3499 (8.50, 1.58, 27.31 ppm): 3 chemical-shift based assignments, quality = 0.103, support = 4.89, residual support = 31.2: * HN GLU- 18 - HG LEU 17 33.333% * 94.3059% (0.10 5.16 33.06) = 94.306% kept HN LYS+ 113 - HG LEU 17 33.333% * 5.1670% (0.08 0.37 0.02) = 5.167% kept HN GLU- 10 - HG LEU 17 33.333% * 0.5272% (0.15 0.02 0.02) = 0.527% Peak 3500 (8.99, 1.58, 27.31 ppm): 2 chemical-shift based assignments, quality = 0.121, support = 2.5, residual support = 12.0: HN ILE 19 - HG LEU 17 50.000% * 86.6504% (0.13 2.72 13.75) = 86.650% kept HN MET 97 - HG LEU 17 50.000% * 13.3496% (0.05 1.07 0.94) = 13.350% kept Reference assignment not found: HN LEU 17 - HG LEU 17 Peak 3501 (9.08, 2.10, 28.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3502 (9.08, 2.01, 28.93 ppm): 4 chemical-shift based assignments, quality = 0.749, support = 2.77, residual support = 18.3: * O HN GLU- 54 - HB3 GLU- 54 25.000% * 98.9423% (0.75 10.0 2.80 18.51) = 98.942% kept HN LYS+ 66 - HB3 GLU- 54 25.000% * 1.0420% (0.81 1.0 0.20 0.02) = 1.042% kept HN LYS+ 66 - HB2 GLU- 45 25.000% * 0.0081% (0.06 1.0 0.02 0.02) = 0.008% HN GLU- 54 - HB2 GLU- 45 25.000% * 0.0075% (0.06 1.0 0.02 0.02) = 0.008% Peak 3503 (4.25, 2.01, 28.93 ppm): 40 chemical-shift based assignments, quality = 0.722, support = 2.24, residual support = 17.8: * O HA GLU- 54 - HB3 GLU- 54 2.500% * 96.3719% (0.75 10.0 2.32 18.51) = 96.372% kept HA GLU- 10 - HB2 GLU- 45 2.500% * 0.6842% (0.06 1.0 1.87 0.85) = 0.684% HA LYS+ 108 - HB2 GLU- 45 2.500% * 0.4718% (0.06 1.0 1.29 0.59) = 0.472% HA ALA 42 - HB2 GLU- 45 2.500% * 0.4498% (0.05 1.0 1.52 3.50) = 0.450% HA SER 49 - HB2 GLU- 45 2.500% * 0.3549% (0.04 1.0 1.34 4.72) = 0.355% HB3 SER 49 - HB2 GLU- 45 2.500% * 0.2417% (0.02 1.0 1.66 4.72) = 0.242% HA ALA 11 - HB2 GLU- 45 2.500% * 0.1628% (0.06 1.0 0.43 0.88) = 0.163% HA PRO 59 - HB3 GLU- 54 2.500% * 0.1075% (0.84 1.0 0.02 0.02) = 0.107% HA ALA 11 - HB3 GLU- 54 2.500% * 0.0992% (0.77 1.0 0.02 0.02) = 0.099% HA LYS+ 108 - HB3 GLU- 54 2.500% * 0.0964% (0.75 1.0 0.02 0.02) = 0.096% HA GLU- 10 - HB3 GLU- 54 2.500% * 0.0964% (0.75 1.0 0.02 0.02) = 0.096% HA ASN 76 - HB3 GLU- 54 2.500% * 0.0932% (0.72 1.0 0.02 0.02) = 0.093% HA GLU- 107 - HB3 GLU- 54 2.500% * 0.0898% (0.70 1.0 0.02 0.02) = 0.090% HA ASN 119 - HB3 GLU- 54 2.500% * 0.0898% (0.70 1.0 0.02 0.02) = 0.090% HA ALA 42 - HB3 GLU- 54 2.500% * 0.0780% (0.61 1.0 0.02 0.02) = 0.078% HA SER 49 - HB3 GLU- 54 2.500% * 0.0695% (0.54 1.0 0.02 0.02) = 0.070% HA GLU- 109 - HB2 GLU- 45 2.500% * 0.0626% (0.03 1.0 0.34 0.02) = 0.063% HA GLU- 75 - HB3 GLU- 54 2.500% * 0.0565% (0.44 1.0 0.02 0.02) = 0.057% HA GLU- 64 - HB3 GLU- 54 2.500% * 0.0523% (0.41 1.0 0.02 0.02) = 0.052% HA GLU- 109 - HB3 GLU- 54 2.500% * 0.0482% (0.37 1.0 0.02 0.02) = 0.048% HB3 SER 49 - HB3 GLU- 54 2.500% * 0.0383% (0.30 1.0 0.02 0.02) = 0.038% HA GLU- 56 - HB3 GLU- 54 2.500% * 0.0367% (0.28 1.0 0.02 0.02) = 0.037% HA GLU- 12 - HB3 GLU- 54 2.500% * 0.0213% (0.17 1.0 0.02 0.02) = 0.021% HA ARG+ 84 - HB3 GLU- 54 2.500% * 0.0188% (0.15 1.0 0.02 0.02) = 0.019% HA SER 85 - HB3 GLU- 54 2.500% * 0.0188% (0.15 1.0 0.02 0.02) = 0.019% HA PRO 52 - HB3 GLU- 54 2.500% * 0.0188% (0.15 1.0 0.02 8.58) = 0.019% HA VAL 94 - HB3 GLU- 54 2.500% * 0.0166% (0.13 1.0 0.02 0.02) = 0.017% HA PRO 59 - HB2 GLU- 45 2.500% * 0.0082% (0.06 1.0 0.02 0.02) = 0.008% HA GLU- 54 - HB2 GLU- 45 2.500% * 0.0073% (0.06 1.0 0.02 0.02) = 0.007% HA ASN 76 - HB2 GLU- 45 2.500% * 0.0071% (0.06 1.0 0.02 0.02) = 0.007% HA GLU- 107 - HB2 GLU- 45 2.500% * 0.0068% (0.05 1.0 0.02 0.02) = 0.007% HA ASN 119 - HB2 GLU- 45 2.500% * 0.0068% (0.05 1.0 0.02 0.02) = 0.007% HA GLU- 75 - HB2 GLU- 45 2.500% * 0.0043% (0.03 1.0 0.02 0.11) = 0.004% HA GLU- 64 - HB2 GLU- 45 2.500% * 0.0040% (0.03 1.0 0.02 0.02) = 0.004% HA GLU- 56 - HB2 GLU- 45 2.500% * 0.0028% (0.02 1.0 0.02 0.02) = 0.003% HA GLU- 12 - HB2 GLU- 45 2.500% * 0.0016% (0.01 1.0 0.02 0.02) = 0.002% HA SER 85 - HB2 GLU- 45 2.500% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% HA ARG+ 84 - HB2 GLU- 45 2.500% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% HA PRO 52 - HB2 GLU- 45 2.500% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% HA VAL 94 - HB2 GLU- 45 2.500% * 0.0013% (0.01 1.0 0.02 0.02) = 0.001% Peak 3504 (4.25, 2.10, 28.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3505 (8.35, 2.39, 29.25 ppm): 6 chemical-shift based assignments, quality = 0.35, support = 4.22, residual support = 22.3: * O HN GLU- 50 - HB3 GLU- 50 16.667% * 99.2407% (0.35 10.0 4.25 22.51) = 99.241% kept HN ALA 103 - HB3 GLU- 50 16.667% * 0.2021% (0.72 1.0 0.02 0.02) = 0.202% HN GLU- 109 - HB3 GLU- 50 16.667% * 0.1968% (0.70 1.0 0.02 0.02) = 0.197% HN LYS+ 108 - HB3 GLU- 50 16.667% * 0.1929% (0.69 1.0 0.02 0.02) = 0.193% HN GLY 71 - HB3 GLU- 50 16.667% * 0.1400% (0.50 1.0 0.02 0.02) = 0.140% HN GLY 114 - HB3 GLU- 50 16.667% * 0.0276% (0.10 1.0 0.02 0.21) = 0.028% Peak 3506 (7.13, 3.20, 30.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3507 (8.46, 3.20, 30.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3508 (1.57, 1.58, 30.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3509 (2.88, 1.58, 30.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3511 (2.25, 1.90, 30.28 ppm): 60 chemical-shift based assignments, quality = 0.357, support = 2.08, residual support = 14.9: * O HG3 GLU- 10 - HB2 GLU- 10 1.667% * 42.9940% (0.18 10.0 1.00 1.93 9.88) = 42.994% kept HB2 PRO 52 - HB3 ARG+ 53 1.667% * 17.3951% (0.30 1.0 1.00 4.58 23.29) = 17.395% kept HG3 GLU- 54 - HB3 ARG+ 53 1.667% * 15.9949% (0.81 1.0 1.00 1.56 31.86) = 15.995% kept O HG3 GLU- 75 - HB2 GLU- 75 1.667% * 6.1061% (0.02 10.0 1.00 2.91 24.11) = 6.106% kept HG2 PRO 112 - HB3 ARG+ 53 1.667% * 5.0591% (0.96 1.0 1.00 0.42 0.02) = 5.059% kept HG2 PRO 112 - HD3 LYS+ 63 1.667% * 2.2722% (0.91 1.0 1.00 0.20 0.02) = 2.272% kept T HG3 GLN 16 - HB3 ARG+ 53 1.667% * 1.9710% (0.78 1.0 10.00 0.02 0.02) = 1.971% kept T HG3 GLN 16 - HD3 LYS+ 63 1.667% * 1.8664% (0.74 1.0 10.00 0.02 0.02) = 1.866% kept HG3 GLU- 54 - HD3 LYS+ 63 1.667% * 0.8434% (0.77 1.0 1.00 0.09 0.02) = 0.843% HB2 PRO 52 - HD3 LYS+ 63 1.667% * 0.6173% (0.28 1.0 1.00 0.17 1.22) = 0.617% T HG3 GLN 102 - HB3 ARG+ 53 1.667% * 0.5480% (0.22 1.0 10.00 0.02 0.02) = 0.548% T HG3 GLN 102 - HD3 LYS+ 63 1.667% * 0.5189% (0.20 1.0 10.00 0.02 0.02) = 0.519% T HG3 GLN 16 - HB2 GLU- 10 1.667% * 0.4264% (0.17 1.0 10.00 0.02 0.02) = 0.426% HB3 ASN 15 - HB3 ARG+ 53 1.667% * 0.2328% (0.92 1.0 1.00 0.02 0.02) = 0.233% HG3 GLU- 107 - HB3 ARG+ 53 1.667% * 0.2207% (0.87 1.0 1.00 0.02 0.02) = 0.221% HB3 ASN 15 - HD3 LYS+ 63 1.667% * 0.2205% (0.87 1.0 1.00 0.02 0.02) = 0.220% HG3 GLU- 107 - HD3 LYS+ 63 1.667% * 0.2090% (0.82 1.0 1.00 0.02 0.02) = 0.209% HG3 GLU- 10 - HB3 ARG+ 53 1.667% * 0.2056% (0.81 1.0 1.00 0.02 0.02) = 0.206% HG3 GLU- 10 - HD3 LYS+ 63 1.667% * 0.1947% (0.77 1.0 1.00 0.02 0.02) = 0.195% HB3 GLU- 45 - HB3 ARG+ 53 1.667% * 0.1787% (0.70 1.0 1.00 0.02 0.02) = 0.179% HB3 GLU- 45 - HD3 LYS+ 63 1.667% * 0.1693% (0.67 1.0 1.00 0.02 0.02) = 0.169% HB VAL 80 - HB3 ARG+ 53 1.667% * 0.1198% (0.47 1.0 1.00 0.02 0.02) = 0.120% T HG3 GLN 102 - HB2 GLU- 10 1.667% * 0.1186% (0.05 1.0 10.00 0.02 0.02) = 0.119% HB VAL 80 - HD3 LYS+ 63 1.667% * 0.1135% (0.45 1.0 1.00 0.02 0.02) = 0.113% HB3 LYS+ 117 - HB3 ARG+ 53 1.667% * 0.1012% (0.40 1.0 1.00 0.02 0.02) = 0.101% HG3 GLU- 75 - HB3 ARG+ 53 1.667% * 0.1012% (0.40 1.0 1.00 0.02 0.02) = 0.101% HG3 GLU- 75 - HD3 LYS+ 63 1.667% * 0.0958% (0.38 1.0 1.00 0.02 0.02) = 0.096% HB3 LYS+ 117 - HD3 LYS+ 63 1.667% * 0.0958% (0.38 1.0 1.00 0.02 0.73) = 0.096% HG3 GLU- 109 - HB3 ARG+ 53 1.667% * 0.0760% (0.30 1.0 1.00 0.02 0.02) = 0.076% HB3 PRO 112 - HB3 ARG+ 53 1.667% * 0.0742% (0.29 1.0 1.00 0.02 0.02) = 0.074% T HB VAL 80 - HB2 GLU- 75 1.667% * 0.0723% (0.03 1.0 10.00 0.02 0.02) = 0.072% HG3 GLU- 109 - HD3 LYS+ 63 1.667% * 0.0719% (0.28 1.0 1.00 0.02 0.02) = 0.072% HB3 PRO 112 - HD3 LYS+ 63 1.667% * 0.0703% (0.28 1.0 1.00 0.02 0.02) = 0.070% T HB3 LYS+ 117 - HB2 GLU- 75 1.667% * 0.0611% (0.02 1.0 10.00 0.02 0.02) = 0.061% HG2 PRO 112 - HB2 GLU- 10 1.667% * 0.0527% (0.21 1.0 1.00 0.02 0.02) = 0.053% HB3 ASN 15 - HB2 GLU- 10 1.667% * 0.0504% (0.20 1.0 1.00 0.02 0.02) = 0.050% HG3 GLU- 107 - HB2 GLU- 10 1.667% * 0.0478% (0.19 1.0 1.00 0.02 0.02) = 0.048% T HB3 PRO 112 - HB2 GLU- 75 1.667% * 0.0448% (0.02 1.0 10.00 0.02 0.30) = 0.045% HG3 GLU- 54 - HB2 GLU- 10 1.667% * 0.0445% (0.18 1.0 1.00 0.02 0.02) = 0.044% HB3 GLU- 45 - HB2 GLU- 10 1.667% * 0.0387% (0.15 1.0 1.00 0.02 0.85) = 0.039% HG3 GLU- 18 - HB3 ARG+ 53 1.667% * 0.0380% (0.15 1.0 1.00 0.02 0.02) = 0.038% HG3 GLU- 18 - HD3 LYS+ 63 1.667% * 0.0360% (0.14 1.0 1.00 0.02 0.02) = 0.036% HB VAL 80 - HB2 GLU- 10 1.667% * 0.0259% (0.10 1.0 1.00 0.02 0.02) = 0.026% HB3 LYS+ 117 - HB2 GLU- 10 1.667% * 0.0219% (0.09 1.0 1.00 0.02 0.02) = 0.022% HG3 GLU- 75 - HB2 GLU- 10 1.667% * 0.0219% (0.09 1.0 1.00 0.02 0.02) = 0.022% HB2 PRO 52 - HB2 GLU- 10 1.667% * 0.0164% (0.06 1.0 1.00 0.02 0.02) = 0.016% HG3 GLU- 109 - HB2 GLU- 10 1.667% * 0.0164% (0.06 1.0 1.00 0.02 0.02) = 0.016% HB3 PRO 112 - HB2 GLU- 10 1.667% * 0.0161% (0.06 1.0 1.00 0.02 0.02) = 0.016% HG2 PRO 112 - HB2 GLU- 75 1.667% * 0.0147% (0.06 1.0 1.00 0.02 0.30) = 0.015% HB3 ASN 15 - HB2 GLU- 75 1.667% * 0.0141% (0.06 1.0 1.00 0.02 0.02) = 0.014% HG3 GLU- 107 - HB2 GLU- 75 1.667% * 0.0133% (0.05 1.0 1.00 0.02 0.02) = 0.013% HG3 GLU- 54 - HB2 GLU- 75 1.667% * 0.0124% (0.05 1.0 1.00 0.02 0.02) = 0.012% HG3 GLU- 10 - HB2 GLU- 75 1.667% * 0.0124% (0.05 1.0 1.00 0.02 0.02) = 0.012% HG3 GLN 16 - HB2 GLU- 75 1.667% * 0.0119% (0.05 1.0 1.00 0.02 0.02) = 0.012% HB3 GLU- 45 - HB2 GLU- 75 1.667% * 0.0108% (0.04 1.0 1.00 0.02 0.11) = 0.011% HG3 GLU- 18 - HB2 GLU- 10 1.667% * 0.0082% (0.03 1.0 1.00 0.02 0.02) = 0.008% HG3 GLU- 109 - HB2 GLU- 75 1.667% * 0.0046% (0.02 1.0 1.00 0.02 0.02) = 0.005% HB2 PRO 52 - HB2 GLU- 75 1.667% * 0.0046% (0.02 1.0 1.00 0.02 0.02) = 0.005% HG3 GLN 102 - HB2 GLU- 75 1.667% * 0.0033% (0.01 1.0 1.00 0.02 0.55) = 0.003% HG3 GLU- 18 - HB2 GLU- 75 1.667% * 0.0023% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 3512 (1.91, 1.90, 30.28 ppm): 3 diagonal assignments: * HD3 LYS+ 63 - HD3 LYS+ 63 (0.90) kept HB3 ARG+ 53 - HB3 ARG+ 53 (0.81) kept HB2 GLU- 10 - HB2 GLU- 10 (0.06) kept Peak 3513 (4.93, 1.90, 30.85 ppm): 12 chemical-shift based assignments, quality = 0.57, support = 2.17, residual support = 21.4: * HA ILE 101 - HB3 GLN 102 8.333% * 82.1075% (0.59 2.58 25.72) = 82.107% kept HA ALA 33 - HB3 GLN 102 8.333% * 10.9895% (0.71 0.29 1.76) = 10.989% kept HA ALA 33 - HB3 GLN 16 8.333% * 4.1633% (0.17 0.44 2.54) = 4.163% kept HA HIS+ 98 - HB3 GLN 102 8.333% * 1.4254% (0.34 0.08 0.02) = 1.425% kept HA ILE 101 - HB2 GLU- 75 8.333% * 0.7126% (0.10 0.13 1.34) = 0.713% HA ILE 101 - HB3 GLN 16 8.333% * 0.1572% (0.14 0.02 0.02) = 0.157% HA ALA 33 - HB2 GLU- 75 8.333% * 0.1376% (0.13 0.02 0.02) = 0.138% HA HIS+ 98 - HB3 GLN 16 8.333% * 0.0922% (0.08 0.02 0.02) = 0.092% HA HIS+ 98 - HB2 GLU- 75 8.333% * 0.0668% (0.06 0.02 0.02) = 0.067% HA ALA 33 - HB2 GLU- 10 8.333% * 0.0639% (0.06 0.02 0.02) = 0.064% HA ILE 101 - HB2 GLU- 10 8.333% * 0.0529% (0.05 0.02 0.02) = 0.053% HA HIS+ 98 - HB2 GLU- 10 8.333% * 0.0310% (0.03 0.02 0.02) = 0.031% Peak 3514 (8.51, 2.02, 31.51 ppm): 3 chemical-shift based assignments, quality = 0.0916, support = 0.0637, residual support = 0.02: HN GLU- 10 - HB3 GLU- 75 33.333% * 75.5701% (0.10 0.08 0.02) = 75.570% kept HN GLU- 10 - HB3 GLU- 64 33.333% * 12.4781% (0.06 0.02 0.02) = 12.478% kept HN GLU- 10 - HB2 GLU- 18 33.333% * 11.9518% (0.06 0.02 0.02) = 11.952% kept Reference assignment not found: HN GLU- 18 - HB2 GLU- 18 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 3516 (8.18, 2.49, 31.14 ppm): 4 chemical-shift based assignments, quality = 0.721, support = 3.08, residual support = 17.8: * HN SER 41 - HB VAL 40 25.000% * 72.2718% (0.72 4.01 24.52) = 72.272% kept HN GLN 16 - HB VAL 40 25.000% * 14.3477% (0.98 0.59 0.22) = 14.348% kept HN ALA 33 - HB VAL 40 25.000% * 8.9467% (0.52 0.69 0.38) = 8.947% kept HN SER 77 - HB VAL 40 25.000% * 4.4337% (0.25 0.72 0.30) = 4.434% kept Peak 3517 (4.80, 2.02, 31.51 ppm): 12 chemical-shift based assignments, quality = 0.162, support = 4.71, residual support = 51.7: * O HA GLU- 18 - HB2 GLU- 18 8.333% * 96.0053% (0.16 10.0 4.90 53.83) = 96.005% kept HA GLU- 18 - HB3 GLU- 75 8.333% * 2.8063% (0.26 1.0 0.36 0.02) = 2.806% kept HA LEU 23 - HB3 GLU- 75 8.333% * 0.2365% (0.40 1.0 0.02 0.02) = 0.237% HA LEU 23 - HB3 GLU- 64 8.333% * 0.1519% (0.25 1.0 0.02 0.02) = 0.152% HB THR 39 - HB3 GLU- 75 8.333% * 0.1464% (0.25 1.0 0.02 0.02) = 0.146% HA LEU 23 - HB2 GLU- 18 8.333% * 0.1455% (0.24 1.0 0.02 0.02) = 0.145% HA GLU- 18 - HB3 GLU- 64 8.333% * 0.1002% (0.17 1.0 0.02 0.02) = 0.100% HA ASN 15 - HB3 GLU- 75 8.333% * 0.0992% (0.17 1.0 0.02 0.02) = 0.099% HB THR 39 - HB3 GLU- 64 8.333% * 0.0940% (0.16 1.0 0.02 0.02) = 0.094% HB THR 39 - HB2 GLU- 18 8.333% * 0.0900% (0.15 1.0 0.02 0.02) = 0.090% HA ASN 15 - HB3 GLU- 64 8.333% * 0.0637% (0.11 1.0 0.02 0.02) = 0.064% HA ASN 15 - HB2 GLU- 18 8.333% * 0.0610% (0.10 1.0 0.02 0.02) = 0.061% Peak 3518 (2.48, 2.48, 31.16 ppm): 1 diagonal assignment: * HB VAL 40 - HB VAL 40 (0.98) kept Peak 3523 (1.64, 1.22, 30.87 ppm): 12 chemical-shift based assignments, quality = 0.907, support = 4.43, residual support = 89.0: O HG2 ARG+ 22 - HB3 ARG+ 22 8.333% * 85.1286% (0.94 10.0 1.00 4.81 99.72) = 85.129% kept HG LEU 23 - HB3 ARG+ 22 8.333% * 9.8590% (0.76 1.0 1.00 2.87 40.42) = 9.859% kept HG12 ILE 101 - HB3 ARG+ 22 8.333% * 4.0668% (0.69 1.0 1.00 1.32 3.44) = 4.067% kept HB ILE 68 - HB3 ARG+ 22 8.333% * 0.2601% (0.65 1.0 1.00 0.09 0.02) = 0.260% HG3 ARG+ 84 - HB3 ARG+ 22 8.333% * 0.2579% (0.45 1.0 1.00 0.13 0.02) = 0.258% T HB ILE 100 - HB3 ARG+ 22 8.333% * 0.2244% (0.25 1.0 10.00 0.02 0.13) = 0.224% HG LEU 43 - HB3 ARG+ 22 8.333% * 0.0582% (0.65 1.0 1.00 0.02 0.14) = 0.058% HB VAL 122 - HB3 ARG+ 22 8.333% * 0.0582% (0.65 1.0 1.00 0.02 0.02) = 0.058% HG3 LYS+ 78 - HB3 ARG+ 22 8.333% * 0.0338% (0.37 1.0 1.00 0.02 0.02) = 0.034% HB3 LYS+ 66 - HB3 ARG+ 22 8.333% * 0.0250% (0.28 1.0 1.00 0.02 0.02) = 0.025% HB3 MET 97 - HB3 ARG+ 22 8.333% * 0.0158% (0.17 1.0 1.00 0.02 0.93) = 0.016% HG2 LYS+ 110 - HB3 ARG+ 22 8.333% * 0.0122% (0.14 1.0 1.00 0.02 0.02) = 0.012% Peak 3524 (1.65, 1.33, 30.88 ppm): 12 chemical-shift based assignments, quality = 0.853, support = 6.44, residual support = 90.8: O HG2 ARG+ 22 - HB2 ARG+ 22 8.333% * 88.4276% (0.92 10.0 6.97 99.72) = 88.428% kept HG LEU 23 - HB2 ARG+ 22 8.333% * 6.1797% (0.34 1.0 3.78 40.42) = 6.180% kept HG12 ILE 101 - HB2 ARG+ 22 8.333% * 1.9949% (0.28 1.0 1.50 3.44) = 1.995% kept HB ILE 100 - HB2 ARG+ 22 8.333% * 1.4297% (0.64 1.0 0.46 0.13) = 1.430% kept HB3 LYS+ 81 - HB2 ARG+ 22 8.333% * 1.2061% (0.31 1.0 0.82 0.02) = 1.206% kept HG3 ARG+ 84 - HB2 ARG+ 22 8.333% * 0.5312% (0.86 1.0 0.13 0.02) = 0.531% HB3 LYS+ 66 - HB2 ARG+ 22 8.333% * 0.0658% (0.68 1.0 0.02 0.02) = 0.066% HB3 MET 97 - HB2 ARG+ 22 8.333% * 0.0504% (0.52 1.0 0.02 0.93) = 0.050% HB3 MET 126 - HB2 ARG+ 22 8.333% * 0.0429% (0.45 1.0 0.02 0.02) = 0.043% HB VAL 122 - HB2 ARG+ 22 8.333% * 0.0239% (0.25 1.0 0.02 0.02) = 0.024% HB ILE 68 - HB2 ARG+ 22 8.333% * 0.0239% (0.25 1.0 0.02 0.02) = 0.024% HG LEU 43 - HB2 ARG+ 22 8.333% * 0.0239% (0.25 1.0 0.02 0.14) = 0.024% Peak 3527 (5.19, 1.33, 30.88 ppm): 1 chemical-shift based assignment, quality = 0.977, support = 6.32, residual support = 99.7: * O HA ARG+ 22 - HB2 ARG+ 22 100.000% *100.0000% (0.98 10.0 6.32 99.72) = 100.000% kept Peak 3528 (5.19, 1.22, 30.87 ppm): 1 chemical-shift based assignment, quality = 0.979, support = 5.18, residual support = 99.7: * O HA ARG+ 22 - HB3 ARG+ 22 100.000% *100.0000% (0.98 10.0 5.18 99.72) = 100.000% kept Peak 3529 (8.97, 1.22, 30.87 ppm): 6 chemical-shift based assignments, quality = 0.463, support = 3.58, residual support = 63.9: * O HN ARG+ 22 - HB3 ARG+ 22 16.667% * 62.3673% (0.28 10.0 4.63 99.72) = 62.367% kept HN MET 97 - HB3 ARG+ 22 16.667% * 16.3774% (0.87 1.0 1.68 0.93) = 16.377% kept HN ILE 19 - HB3 ARG+ 22 16.667% * 13.9312% (0.99 1.0 1.25 1.75) = 13.931% kept HN PHE 21 - HB3 ARG+ 22 16.667% * 6.4481% (0.15 1.0 3.73 20.17) = 6.448% kept HN THR 96 - HB3 ARG+ 22 16.667% * 0.7219% (0.22 1.0 0.29 0.02) = 0.722% HN LEU 17 - HB3 ARG+ 22 16.667% * 0.1541% (0.69 1.0 0.02 0.02) = 0.154% Peak 3530 (8.97, 1.33, 30.88 ppm): 6 chemical-shift based assignments, quality = 0.44, support = 4.14, residual support = 66.9: * O HN ARG+ 22 - HB2 ARG+ 22 16.667% * 65.3593% (0.28 10.0 5.45 99.72) = 65.359% kept HN ILE 19 - HB2 ARG+ 22 16.667% * 16.4255% (0.99 1.0 1.41 1.75) = 16.426% kept HN MET 97 - HB2 ARG+ 22 16.667% * 10.0645% (0.86 1.0 0.99 0.93) = 10.064% kept HN PHE 21 - HB2 ARG+ 22 16.667% * 6.5924% (0.15 1.0 3.64 20.17) = 6.592% kept HN LEU 17 - HB2 ARG+ 22 16.667% * 0.8019% (0.68 1.0 0.10 0.02) = 0.802% HN THR 96 - HB2 ARG+ 22 16.667% * 0.7565% (0.22 1.0 0.29 0.02) = 0.757% Peak 3532 (8.37, 1.92, 30.87 ppm): 16 chemical-shift based assignments, quality = 0.249, support = 2.17, residual support = 6.31: * HN ALA 103 - HB3 GLN 102 6.250% * 76.2382% (0.22 2.81 8.27) = 76.238% kept HN GLY 71 - HB3 GLN 102 6.250% * 10.9258% (0.57 0.15 0.02) = 10.926% kept HN ALA 103 - HB2 GLU- 75 6.250% * 4.3663% (0.14 0.26 0.02) = 4.366% kept HN LYS+ 108 - HB3 GLN 102 6.250% * 4.1213% (0.38 0.09 0.02) = 4.121% kept HN ALA 103 - HB3 GLN 16 6.250% * 1.0269% (0.03 0.24 0.02) = 1.027% kept HN GLY 71 - HB2 GLU- 75 6.250% * 0.8945% (0.36 0.02 0.02) = 0.894% HN LYS+ 108 - HB2 GLU- 75 6.250% * 0.6049% (0.24 0.02 0.02) = 0.605% HN GLU- 109 - HB3 GLN 102 6.250% * 0.4430% (0.18 0.02 0.02) = 0.443% HN GLU- 109 - HB2 GLU- 75 6.250% * 0.2773% (0.11 0.02 0.02) = 0.277% HN GLY 71 - HB2 GLU- 10 6.250% * 0.2745% (0.11 0.02 0.02) = 0.274% HN GLY 71 - HB3 GLN 16 6.250% * 0.2277% (0.09 0.02 0.02) = 0.228% HN LYS+ 108 - HB2 GLU- 10 6.250% * 0.1856% (0.07 0.02 0.02) = 0.186% HN LYS+ 108 - HB3 GLN 16 6.250% * 0.1540% (0.06 0.02 0.02) = 0.154% HN ALA 103 - HB2 GLU- 10 6.250% * 0.1044% (0.04 0.02 0.02) = 0.104% HN GLU- 109 - HB2 GLU- 10 6.250% * 0.0851% (0.03 0.02 0.02) = 0.085% HN GLU- 109 - HB3 GLN 16 6.250% * 0.0706% (0.03 0.02 0.02) = 0.071% Peak 3534 (8.50, 1.76, 31.52 ppm): 4 chemical-shift based assignments, quality = 0.104, support = 5.26, residual support = 53.2: * O HN GLU- 18 - HB3 GLU- 18 25.000% * 98.8156% (0.10 10.0 5.32 53.83) = 98.816% kept HN LYS+ 113 - HB3 GLU- 18 25.000% * 1.0204% (0.08 1.0 0.26 0.02) = 1.020% kept HN GLU- 10 - HB3 GLU- 18 25.000% * 0.1334% (0.14 1.0 0.02 0.02) = 0.133% HN GLY 92 - HB3 GLU- 18 25.000% * 0.0306% (0.03 1.0 0.02 0.02) = 0.031% Peak 3535 (3.86, 2.58, 32.91 ppm): 11 chemical-shift based assignments, quality = 0.232, support = 2.47, residual support = 14.3: * O T HD3 PRO 35 - HB3 PRO 35 9.091% * 95.6055% (0.23 10.0 10.00 2.58 14.98) = 95.606% kept HB2 SER 85 - HB3 PRO 35 9.091% * 1.3505% (0.77 1.0 1.00 0.09 0.02) = 1.351% kept T HD2 PRO 116 - HB3 PRO 35 9.091% * 0.7655% (0.19 1.0 10.00 0.02 0.02) = 0.766% T HD2 PRO 86 - HB3 PRO 35 9.091% * 0.6022% (0.15 1.0 10.00 0.02 0.02) = 0.602% HB3 SER 88 - HB3 PRO 35 9.091% * 0.3253% (0.79 1.0 1.00 0.02 0.02) = 0.325% HA2 GLY 114 - HB3 PRO 35 9.091% * 0.3084% (0.75 1.0 1.00 0.02 0.02) = 0.308% HB3 SER 77 - HB3 PRO 35 9.091% * 0.3084% (0.75 1.0 1.00 0.02 0.02) = 0.308% HB3 SER 27 - HB3 PRO 35 9.091% * 0.2362% (0.57 1.0 1.00 0.02 0.02) = 0.236% HA LYS+ 117 - HB3 PRO 35 9.091% * 0.2224% (0.54 1.0 1.00 0.02 0.02) = 0.222% HA GLU- 45 - HB3 PRO 35 9.091% * 0.2224% (0.54 1.0 1.00 0.02 0.02) = 0.222% HA2 GLY 92 - HB3 PRO 35 9.091% * 0.0531% (0.13 1.0 1.00 0.02 0.02) = 0.053% Peak 3536 (2.90, 2.91, 31.92 ppm): 1 diagonal assignment: * HB2 HIS+ 98 - HB2 HIS+ 98 (0.62) kept Peak 3537 (1.63, 2.91, 31.92 ppm): 10 chemical-shift based assignments, quality = 0.52, support = 3.11, residual support = 8.3: T HG2 ARG+ 22 - HB2 HIS+ 98 10.000% * 76.7807% (0.50 10.00 3.45 8.33) = 76.781% kept HG LEU 23 - HB2 HIS+ 98 10.000% * 11.2722% (0.66 1.00 2.21 3.05) = 11.272% kept * HB ILE 68 - HB2 HIS+ 98 10.000% * 10.0288% (0.62 1.00 2.12 15.60) = 10.029% kept HG12 ILE 101 - HB2 HIS+ 98 10.000% * 0.9635% (0.63 1.00 0.20 0.11) = 0.964% HG LEU 43 - HB2 HIS+ 98 10.000% * 0.4588% (0.62 1.00 0.10 0.02) = 0.459% HG3 ARG+ 84 - HB2 HIS+ 98 10.000% * 0.2792% (0.15 1.00 0.24 0.02) = 0.279% HB VAL 122 - HB2 HIS+ 98 10.000% * 0.0948% (0.62 1.00 0.02 0.02) = 0.095% HG3 LYS+ 78 - HB2 HIS+ 98 10.000% * 0.0684% (0.44 1.00 0.02 0.02) = 0.068% HG2 LYS+ 110 - HB2 HIS+ 98 10.000% * 0.0326% (0.21 1.00 0.02 0.02) = 0.033% HB3 PRO 52 - HB2 HIS+ 98 10.000% * 0.0209% (0.14 1.00 0.02 0.02) = 0.021% Peak 3538 (1.36, 2.91, 31.92 ppm): 7 chemical-shift based assignments, quality = 0.626, support = 1.31, residual support = 1.44: T HG3 LYS+ 81 - HB2 HIS+ 98 14.286% * 59.9804% (0.62 10.00 0.77 0.39) = 59.980% kept HB3 LYS+ 20 - HB2 HIS+ 98 14.286% * 25.3203% (0.69 1.00 2.91 2.61) = 25.320% kept HB3 LEU 17 - HB2 HIS+ 98 14.286% * 7.5085% (0.66 1.00 0.89 0.83) = 7.509% kept QB ALA 11 - HB2 HIS+ 98 14.286% * 3.5250% (0.68 1.00 0.41 0.02) = 3.525% kept * HG13 ILE 68 - HB2 HIS+ 98 14.286% * 3.1175% (0.28 1.00 0.87 15.60) = 3.118% kept QG2 THR 39 - HB2 HIS+ 98 14.286% * 0.4086% (0.42 1.00 0.08 0.02) = 0.409% HG2 LYS+ 78 - HB2 HIS+ 98 14.286% * 0.1397% (0.55 1.00 0.02 0.02) = 0.140% Peak 3539 (0.74, 2.91, 31.92 ppm): 8 chemical-shift based assignments, quality = 0.589, support = 1.03, residual support = 5.55: * QD1 ILE 68 - HB2 HIS+ 98 12.500% * 34.8764% (0.57 1.69 15.60) = 34.876% kept HG3 LYS+ 66 - HB2 HIS+ 98 12.500% * 20.4122% (0.69 0.83 0.23) = 20.412% kept QG2 VAL 65 - HB2 HIS+ 98 12.500% * 18.2023% (0.62 0.82 0.29) = 18.202% kept HG3 LYS+ 44 - HB2 HIS+ 98 12.500% * 10.5644% (0.69 0.43 0.02) = 10.564% kept QG1 VAL 40 - HB2 HIS+ 98 12.500% * 8.0142% (0.55 0.41 0.02) = 8.014% kept QG2 ILE 101 - HB2 HIS+ 98 12.500% * 6.2517% (0.23 0.77 0.11) = 6.252% kept QG2 ILE 48 - HB2 HIS+ 98 12.500% * 1.4933% (0.38 0.11 0.02) = 1.493% kept HG LEU 74 - HB2 HIS+ 98 12.500% * 0.1854% (0.26 0.02 0.02) = 0.185% Peak 3540 (3.16, 3.15, 31.92 ppm): 1 diagonal assignment: * HB3 HIS+ 98 - HB3 HIS+ 98 (0.39) kept Peak 3541 (1.64, 3.15, 31.92 ppm): 13 chemical-shift based assignments, quality = 0.392, support = 1.74, residual support = 7.16: HG2 ARG+ 22 - HB3 HIS+ 98 7.692% * 31.8451% (0.64 1.65 8.33) = 31.845% kept * HB ILE 68 - HB3 HIS+ 98 7.692% * 22.4929% (0.29 2.60 15.60) = 22.493% kept HB3 MET 97 - HB3 HIS+ 98 7.692% * 15.4595% (0.20 2.60 3.95) = 15.459% kept HG LEU 23 - HB3 HIS+ 98 7.692% * 11.6856% (0.36 1.07 3.05) = 11.686% kept HB ILE 100 - HB3 HIS+ 98 7.692% * 6.6841% (0.26 0.84 0.25) = 6.684% kept HB3 LYS+ 66 - HB3 HIS+ 98 7.692% * 5.2058% (0.29 0.60 0.23) = 5.206% kept HG3 ARG+ 84 - HB3 HIS+ 98 7.692% * 4.3792% (0.41 0.35 0.02) = 4.379% kept HB3 LYS+ 81 - HB3 HIS+ 98 7.692% * 0.8611% (0.10 0.29 0.39) = 0.861% HG LEU 43 - HB3 HIS+ 98 7.692% * 0.8442% (0.29 0.10 0.02) = 0.844% HG12 ILE 101 - HB3 HIS+ 98 7.692% * 0.1877% (0.31 0.02 0.11) = 0.188% HB VAL 122 - HB3 HIS+ 98 7.692% * 0.1729% (0.29 0.02 0.02) = 0.173% HB3 MET 126 - HB3 HIS+ 98 7.692% * 0.0961% (0.16 0.02 0.02) = 0.096% HG3 LYS+ 78 - HB3 HIS+ 98 7.692% * 0.0858% (0.14 0.02 0.02) = 0.086% Peak 3542 (1.36, 3.15, 31.92 ppm): 7 chemical-shift based assignments, quality = 0.585, support = 1.3, residual support = 2.69: HB3 LYS+ 20 - HB3 HIS+ 98 14.286% * 41.8797% (0.64 1.90 2.61) = 41.880% kept HB3 LEU 17 - HB3 HIS+ 98 14.286% * 21.5879% (0.62 1.01 0.83) = 21.588% kept HG3 LYS+ 81 - HB3 HIS+ 98 14.286% * 18.0328% (0.57 0.91 0.39) = 18.033% kept * HG13 ILE 68 - HB3 HIS+ 98 14.286% * 8.6472% (0.26 0.95 15.60) = 8.647% kept QB ALA 11 - HB3 HIS+ 98 14.286% * 8.2618% (0.63 0.38 0.02) = 8.262% kept QG2 THR 39 - HB3 HIS+ 98 14.286% * 1.2374% (0.39 0.09 0.02) = 1.237% kept HG2 LYS+ 78 - HB3 HIS+ 98 14.286% * 0.3531% (0.51 0.02 0.02) = 0.353% Peak 3543 (0.74, 3.15, 31.92 ppm): 8 chemical-shift based assignments, quality = 0.562, support = 0.804, residual support = 5.61: * QD1 ILE 68 - HB3 HIS+ 98 12.500% * 35.2539% (0.53 1.31 15.60) = 35.254% kept QG2 VAL 65 - HB3 HIS+ 98 12.500% * 22.0777% (0.57 0.76 0.29) = 22.078% kept HG3 LYS+ 66 - HB3 HIS+ 98 12.500% * 16.1842% (0.64 0.50 0.23) = 16.184% kept HG3 LYS+ 44 - HB3 HIS+ 98 12.500% * 13.6693% (0.64 0.42 0.02) = 13.669% kept QG1 VAL 40 - HB3 HIS+ 98 12.500% * 8.7383% (0.51 0.34 0.02) = 8.738% kept QG2 ILE 48 - HB3 HIS+ 98 12.500% * 1.9504% (0.36 0.11 0.02) = 1.950% kept QG2 ILE 101 - HB3 HIS+ 98 12.500% * 1.8840% (0.21 0.18 0.11) = 1.884% kept HG LEU 74 - HB3 HIS+ 98 12.500% * 0.2422% (0.24 0.02 0.02) = 0.242% Peak 3544 (4.92, 3.15, 31.92 ppm): 3 chemical-shift based assignments, quality = 0.161, support = 2.95, residual support = 20.0: * O HA HIS+ 98 - HB3 HIS+ 98 33.333% * 84.4674% (0.13 10.0 3.37 23.67) = 84.467% kept HA ILE 101 - HB3 HIS+ 98 33.333% * 8.2895% (0.29 1.0 0.87 0.11) = 8.290% kept HA ALA 33 - HB3 HIS+ 98 33.333% * 7.2431% (0.41 1.0 0.52 0.02) = 7.243% kept Peak 3545 (8.31, 3.15, 31.92 ppm): 6 chemical-shift based assignments, quality = 0.569, support = 2.98, residual support = 11.8: * HN VAL 99 - HB3 HIS+ 98 16.667% * 89.5425% (0.57 3.29 13.22) = 89.542% kept HN ALA 91 - HB3 HIS+ 98 16.667% * 9.4750% (0.57 0.35 0.14) = 9.475% kept HN ASN 76 - HB3 HIS+ 98 16.667% * 0.3440% (0.36 0.02 0.02) = 0.344% HN ASP- 28 - HB3 HIS+ 98 16.667% * 0.2724% (0.29 0.02 0.02) = 0.272% HN GLY 114 - HB3 HIS+ 98 16.667% * 0.2724% (0.29 0.02 0.02) = 0.272% HN ASN 89 - HB3 HIS+ 98 16.667% * 0.0937% (0.10 0.02 0.02) = 0.094% Peak 3546 (9.46, 3.15, 31.92 ppm): 1 chemical-shift based assignment, quality = 0.489, support = 2.86, residual support = 23.7: * O HN HIS+ 98 - HB3 HIS+ 98 100.000% *100.0000% (0.49 10.0 2.86 23.67) = 100.000% kept Peak 3547 (4.92, 2.91, 31.92 ppm): 3 chemical-shift based assignments, quality = 0.169, support = 2.77, residual support = 20.0: * O HA HIS+ 98 - HB2 HIS+ 98 33.333% * 84.5662% (0.14 10.0 3.12 23.67) = 84.566% kept HA ILE 101 - HB2 HIS+ 98 33.333% * 10.5349% (0.31 1.0 1.10 0.11) = 10.535% kept HA ALA 33 - HB2 HIS+ 98 33.333% * 4.8989% (0.44 1.0 0.35 0.02) = 4.899% kept Peak 3548 (8.31, 2.91, 31.92 ppm): 6 chemical-shift based assignments, quality = 0.612, support = 3.02, residual support = 9.85: * HN VAL 99 - HB2 HIS+ 98 16.667% * 74.2735% (0.62 3.65 13.22) = 74.274% kept HN ALA 91 - HB2 HIS+ 98 16.667% * 24.9928% (0.62 1.23 0.14) = 24.993% kept HN ASN 76 - HB2 HIS+ 98 16.667% * 0.2569% (0.39 0.02 0.02) = 0.257% HN ASP- 28 - HB2 HIS+ 98 16.667% * 0.2034% (0.31 0.02 0.02) = 0.203% HN GLY 114 - HB2 HIS+ 98 16.667% * 0.2034% (0.31 0.02 0.02) = 0.203% HN ASN 89 - HB2 HIS+ 98 16.667% * 0.0700% (0.11 0.02 0.02) = 0.070% Peak 3549 (9.47, 2.91, 31.92 ppm): 2 chemical-shift based assignments, quality = 0.687, support = 2.67, residual support = 23.7: * O HN HIS+ 98 - HB2 HIS+ 98 50.000% * 99.9777% (0.69 10.0 2.67 23.67) = 99.978% kept HN ALA 70 - HB2 HIS+ 98 50.000% * 0.0223% (0.15 1.0 0.02 0.02) = 0.022% Peak 3550 (6.97, 2.97, 30.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3551 (4.57, 2.97, 30.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3552 (4.36, 3.04, 29.47 ppm): 7 chemical-shift based assignments, quality = 0.213, support = 4.93, residual support = 97.2: * O HA TRP 51 - HB3 TRP 51 14.286% * 99.4312% (0.21 10.0 4.96 97.75) = 99.431% kept HA2 GLY 26 - HB3 TRP 51 14.286% * 0.1639% (0.35 1.0 0.02 0.02) = 0.164% HB THR 61 - HB3 TRP 51 14.286% * 0.1444% (0.31 1.0 0.02 0.02) = 0.144% HA LYS+ 60 - HB3 TRP 51 14.286% * 0.0920% (0.20 1.0 0.02 0.02) = 0.092% HA ALA 37 - HB3 TRP 51 14.286% * 0.0709% (0.15 1.0 0.02 0.02) = 0.071% HA SER 27 - HB3 TRP 51 14.286% * 0.0645% (0.14 1.0 0.02 0.11) = 0.064% HA ALA 91 - HB3 TRP 51 14.286% * 0.0331% (0.07 1.0 0.02 0.02) = 0.033% Peak 3553 (7.50, 3.04, 29.47 ppm): 2 chemical-shift based assignments, quality = 0.365, support = 3.8, residual support = 97.7: * O HE3 TRP 51 - HB3 TRP 51 50.000% * 99.9722% (0.36 10.0 3.80 97.75) = 99.972% kept HN ASP- 82 - HB3 TRP 51 50.000% * 0.0278% (0.10 1.0 0.02 0.02) = 0.028% Peak 3554 (7.51, 3.70, 29.45 ppm): 2 chemical-shift based assignments, quality = 0.331, support = 3.9, residual support = 97.6: * O HE3 TRP 51 - HB2 TRP 51 50.000% * 99.8673% (0.33 10.0 3.90 97.75) = 99.867% kept HN ASP- 82 - HB2 TRP 51 50.000% * 0.1327% (0.44 1.0 0.02 0.02) = 0.133% Peak 3555 (4.37, 3.70, 29.45 ppm): 8 chemical-shift based assignments, quality = 0.619, support = 4.51, residual support = 90.8: * O T HA TRP 51 - HB2 TRP 51 12.500% * 92.9007% (0.63 10.0 10.00 4.81 97.75) = 92.901% kept HA2 GLY 26 - HB2 TRP 51 12.500% * 3.3364% (0.67 1.0 1.00 0.68 0.02) = 3.336% kept HA SER 27 - HB2 TRP 51 12.500% * 2.5848% (0.52 1.0 1.00 0.67 0.11) = 2.585% kept T HA LYS+ 60 - HB2 TRP 51 12.500% * 0.9026% (0.61 1.0 10.00 0.02 0.02) = 0.903% HB THR 61 - HB2 TRP 51 12.500% * 0.1006% (0.68 1.0 1.00 0.02 0.02) = 0.101% HA ALA 37 - HB2 TRP 51 12.500% * 0.0806% (0.54 1.0 1.00 0.02 0.02) = 0.081% HA ALA 91 - HB2 TRP 51 12.500% * 0.0529% (0.36 1.0 1.00 0.02 0.02) = 0.053% HA SER 88 - HB2 TRP 51 12.500% * 0.0414% (0.28 1.0 1.00 0.02 0.02) = 0.041% Peak 3556 (8.23, 2.24, 29.25 ppm): 20 chemical-shift based assignments, quality = 0.623, support = 4.48, residual support = 52.8: * O HN GLU- 45 - HB3 GLU- 45 5.000% * 69.7080% (0.60 10.0 5.89 73.84) = 69.708% kept HN ALA 11 - HB3 GLU- 45 5.000% * 7.4206% (0.68 1.0 1.88 0.88) = 7.421% kept HN SER 49 - HB2 GLU- 50 5.000% * 6.1422% (0.53 1.0 2.00 17.80) = 6.142% kept HN LYS+ 81 - HB3 GLU- 45 5.000% * 3.9681% (0.68 1.0 1.01 0.23) = 3.968% kept HN VAL 105 - HB3 GLU- 45 5.000% * 3.8471% (0.83 1.0 0.80 0.32) = 3.847% kept HN SER 49 - HB3 GLU- 45 5.000% * 3.6423% (0.92 1.0 0.69 4.72) = 3.642% kept HN LEU 67 - HB3 GLU- 45 5.000% * 1.9381% (0.68 1.0 0.49 0.02) = 1.938% kept HN VAL 94 - HB3 GLU- 45 5.000% * 1.5537% (0.86 1.0 0.31 0.02) = 1.554% kept HN GLU- 45 - HB2 GLU- 50 5.000% * 0.8891% (0.35 1.0 0.44 0.02) = 0.889% HN GLY 58 - HB3 GLU- 45 5.000% * 0.4524% (0.80 1.0 0.10 0.02) = 0.452% HN GLU- 12 - HB3 GLU- 45 5.000% * 0.0651% (0.56 1.0 0.02 0.02) = 0.065% HN VAL 94 - HB2 GLU- 50 5.000% * 0.0578% (0.50 1.0 0.02 0.02) = 0.058% HN VAL 105 - HB2 GLU- 50 5.000% * 0.0556% (0.48 1.0 0.02 0.02) = 0.056% HN GLY 58 - HB2 GLU- 50 5.000% * 0.0533% (0.46 1.0 0.02 0.02) = 0.053% HN ALA 11 - HB2 GLU- 50 5.000% * 0.0457% (0.40 1.0 0.02 0.02) = 0.046% HN LYS+ 81 - HB2 GLU- 50 5.000% * 0.0457% (0.40 1.0 0.02 0.02) = 0.046% HN LEU 67 - HB2 GLU- 50 5.000% * 0.0457% (0.40 1.0 0.02 0.02) = 0.046% HN GLU- 12 - HB2 GLU- 50 5.000% * 0.0377% (0.33 1.0 0.02 0.02) = 0.038% HN THR 106 - HB3 GLU- 45 5.000% * 0.0201% (0.17 1.0 0.02 0.02) = 0.020% HN THR 106 - HB2 GLU- 50 5.000% * 0.0117% (0.10 1.0 0.02 0.02) = 0.012% Peak 3558 (7.79, 2.04, 29.25 ppm): 8 chemical-shift based assignments, quality = 0.756, support = 3.54, residual support = 18.2: * HN THR 46 - HB2 GLU- 45 12.500% * 70.8363% (0.81 4.40 24.18) = 70.836% kept HN VAL 87 - HB2 GLU- 45 12.500% * 18.0579% (0.83 1.10 1.57) = 18.058% kept HN LYS+ 55 - HB3 GLU- 54 12.500% * 6.6697% (0.10 3.27 12.25) = 6.670% kept HN ALA 93 - HB2 GLU- 45 12.500% * 3.4296% (0.69 0.25 0.02) = 3.430% kept HN LYS+ 55 - HB2 GLU- 45 12.500% * 0.7598% (0.39 0.10 0.02) = 0.760% HN VAL 87 - HB3 GLU- 54 12.500% * 0.0878% (0.22 0.02 0.02) = 0.088% HN THR 46 - HB3 GLU- 54 12.500% * 0.0860% (0.22 0.02 0.02) = 0.086% HN ALA 93 - HB3 GLU- 54 12.500% * 0.0728% (0.18 0.02 0.02) = 0.073% Peak 3559 (4.23, 2.04, 29.25 ppm): 30 chemical-shift based assignments, quality = 0.48, support = 1.74, residual support = 7.41: T HB3 SER 49 - HB2 GLU- 45 3.333% * 40.1360% (0.40 1.0 10.00 1.66 4.72) = 40.136% kept O HA GLU- 54 - HB3 GLU- 54 3.333% * 25.8293% (0.21 10.0 1.00 2.32 18.51) = 25.829% kept HA GLU- 10 - HB2 GLU- 45 3.333% * 9.0315% (0.79 1.0 1.00 1.87 0.85) = 9.032% kept * HA ALA 42 - HB2 GLU- 45 3.333% * 7.9258% (0.86 1.0 1.00 1.52 3.50) = 7.926% kept HA SER 49 - HB2 GLU- 45 3.333% * 7.0211% (0.86 1.0 1.00 1.34 4.72) = 7.021% kept HA LYS+ 108 - HB2 GLU- 45 3.333% * 6.2279% (0.79 1.0 1.00 1.29 0.59) = 6.228% kept HA GLU- 109 - HB2 GLU- 45 3.333% * 1.6536% (0.79 1.0 1.00 0.34 0.02) = 1.654% kept HA ALA 11 - HB2 GLU- 45 3.333% * 1.0140% (0.39 1.0 1.00 0.43 0.88) = 1.014% kept T HA SER 49 - HB3 GLU- 54 3.333% * 0.2792% (0.23 1.0 10.00 0.02 0.02) = 0.279% T HA PRO 59 - HB3 GLU- 54 3.333% * 0.1922% (0.16 1.0 10.00 0.02 0.02) = 0.192% T HB3 SER 49 - HB3 GLU- 54 3.333% * 0.1290% (0.11 1.0 10.00 0.02 0.02) = 0.129% HA GLU- 54 - HB2 GLU- 45 3.333% * 0.0967% (0.79 1.0 1.00 0.02 0.02) = 0.097% HA PRO 59 - HB2 GLU- 45 3.333% * 0.0719% (0.59 1.0 1.00 0.02 0.02) = 0.072% HA GLU- 12 - HB2 GLU- 45 3.333% * 0.0678% (0.56 1.0 1.00 0.02 0.02) = 0.068% HA ASN 76 - HB2 GLU- 45 3.333% * 0.0393% (0.32 1.0 1.00 0.02 0.02) = 0.039% HA GLU- 107 - HB2 GLU- 45 3.333% * 0.0357% (0.29 1.0 1.00 0.02 0.02) = 0.036% HA ASN 119 - HB2 GLU- 45 3.333% * 0.0357% (0.29 1.0 1.00 0.02 0.02) = 0.036% HA ALA 42 - HB3 GLU- 54 3.333% * 0.0279% (0.23 1.0 1.00 0.02 0.02) = 0.028% HA GLU- 109 - HB3 GLU- 54 3.333% * 0.0258% (0.21 1.0 1.00 0.02 0.02) = 0.026% HA GLU- 10 - HB3 GLU- 54 3.333% * 0.0258% (0.21 1.0 1.00 0.02 0.02) = 0.026% HA LYS+ 108 - HB3 GLU- 54 3.333% * 0.0258% (0.21 1.0 1.00 0.02 0.02) = 0.026% HA ASP- 82 - HB2 GLU- 45 3.333% * 0.0233% (0.19 1.0 1.00 0.02 0.02) = 0.023% HA GLU- 12 - HB3 GLU- 54 3.333% * 0.0181% (0.15 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 75 - HB2 GLU- 45 3.333% * 0.0142% (0.12 1.0 1.00 0.02 0.11) = 0.014% HA ALA 11 - HB3 GLU- 54 3.333% * 0.0125% (0.10 1.0 1.00 0.02 0.02) = 0.013% HA ASN 76 - HB3 GLU- 54 3.333% * 0.0105% (0.09 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 107 - HB3 GLU- 54 3.333% * 0.0095% (0.08 1.0 1.00 0.02 0.02) = 0.010% HA ASN 119 - HB3 GLU- 54 3.333% * 0.0095% (0.08 1.0 1.00 0.02 0.02) = 0.010% HA ASP- 82 - HB3 GLU- 54 3.333% * 0.0062% (0.05 1.0 1.00 0.02 0.62) = 0.006% HA GLU- 75 - HB3 GLU- 54 3.333% * 0.0038% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 3560 (3.85, 2.04, 29.25 ppm): 20 chemical-shift based assignments, quality = 0.462, support = 4.61, residual support = 67.6: O T HA GLU- 45 - HB2 GLU- 45 5.000% * 91.5441% (0.45 10.0 10.00 4.97 73.84) = 91.544% kept HB3 SER 88 - HB2 GLU- 45 5.000% * 6.5148% (0.75 1.0 1.00 0.86 0.21) = 6.515% kept T HD3 PRO 35 - HB2 GLU- 45 5.000% * 0.3443% (0.17 1.0 10.00 0.02 0.02) = 0.344% T HD2 PRO 116 - HB2 GLU- 45 5.000% * 0.2685% (0.13 1.0 10.00 0.02 0.02) = 0.268% T HA GLU- 45 - HB3 GLU- 54 5.000% * 0.2445% (0.12 1.0 10.00 0.02 0.02) = 0.245% HB2 SER 85 - HB2 GLU- 45 5.000% * 0.1453% (0.72 1.0 1.00 0.02 0.02) = 0.145% HA2 GLY 114 - HB2 GLU- 45 5.000% * 0.1393% (0.69 1.0 1.00 0.02 0.02) = 0.139% HB3 SER 77 - HB2 GLU- 45 5.000% * 0.1393% (0.69 1.0 1.00 0.02 0.02) = 0.139% HA LYS+ 117 - HB2 GLU- 45 5.000% * 0.1330% (0.66 1.0 1.00 0.02 0.02) = 0.133% HB3 SER 27 - HB2 GLU- 45 5.000% * 0.0985% (0.49 1.0 1.00 0.02 0.02) = 0.099% T HD3 PRO 35 - HB3 GLU- 54 5.000% * 0.0920% (0.05 1.0 10.00 0.02 0.02) = 0.092% T HD2 PRO 116 - HB3 GLU- 54 5.000% * 0.0717% (0.04 1.0 10.00 0.02 0.02) = 0.072% HB3 SER 88 - HB3 GLU- 54 5.000% * 0.0403% (0.20 1.0 1.00 0.02 0.02) = 0.040% HB2 SER 85 - HB3 GLU- 54 5.000% * 0.0388% (0.19 1.0 1.00 0.02 0.02) = 0.039% HA2 GLY 92 - HB2 GLU- 45 5.000% * 0.0387% (0.19 1.0 1.00 0.02 0.02) = 0.039% HB3 SER 77 - HB3 GLU- 54 5.000% * 0.0372% (0.18 1.0 1.00 0.02 0.02) = 0.037% HA2 GLY 114 - HB3 GLU- 54 5.000% * 0.0372% (0.18 1.0 1.00 0.02 0.02) = 0.037% HA LYS+ 117 - HB3 GLU- 54 5.000% * 0.0355% (0.18 1.0 1.00 0.02 0.02) = 0.036% HB3 SER 27 - HB3 GLU- 54 5.000% * 0.0263% (0.13 1.0 1.00 0.02 0.02) = 0.026% HA2 GLY 92 - HB3 GLU- 54 5.000% * 0.0103% (0.05 1.0 1.00 0.02 0.02) = 0.010% Reference assignment not found: HA GLU- 45 - HB3 GLU- 45 Peak 3563 (8.57, 4.04, 70.02 ppm): 4 chemical-shift based assignments, quality = 0.645, support = 2.23, residual support = 8.71: * HN THR 39 - HB THR 38 25.000% * 56.9318% (0.63 3.12 14.77) = 56.932% kept HN VAL 80 - HB THR 38 25.000% * 24.4205% (0.65 1.29 0.97) = 24.420% kept HN VAL 73 - HB THR 38 25.000% * 16.7857% (0.73 0.80 0.38) = 16.786% kept HN LYS+ 20 - HB THR 38 25.000% * 1.8620% (0.19 0.34 0.11) = 1.862% kept Peak 3564 (0.69, 3.92, 69.47 ppm): 10 chemical-shift based assignments, quality = 0.722, support = 1.77, residual support = 14.3: * O T QG2 THR 96 - HB THR 96 10.000% * 65.3955% (0.70 10.0 10.00 2.31 20.95) = 65.396% kept T QG2 VAL 94 - HB THR 96 10.000% * 25.6078% (0.79 1.0 10.00 0.69 0.56) = 25.608% kept QD1 ILE 19 - HB THR 96 10.000% * 4.6982% (0.84 1.0 1.00 1.19 5.70) = 4.698% kept HG12 ILE 19 - HB THR 96 10.000% * 3.4244% (0.76 1.0 1.00 0.96 5.70) = 3.424% kept QG2 ILE 48 - HB THR 96 10.000% * 0.3494% (0.89 1.0 1.00 0.08 0.02) = 0.349% QG2 ILE 101 - HB THR 96 10.000% * 0.3184% (0.88 1.0 1.00 0.08 0.02) = 0.318% QG1 VAL 65 - HB THR 96 10.000% * 0.0790% (0.84 1.0 1.00 0.02 0.02) = 0.079% QG2 ILE 68 - HB THR 96 10.000% * 0.0742% (0.79 1.0 1.00 0.02 0.02) = 0.074% QG1 VAL 62 - HB THR 96 10.000% * 0.0292% (0.31 1.0 1.00 0.02 0.02) = 0.029% HG LEU 74 - HB THR 96 10.000% * 0.0238% (0.25 1.0 1.00 0.02 0.02) = 0.024% Peak 3565 (2.62, 1.38, 29.95 ppm): 5 chemical-shift based assignments, quality = 0.81, support = 1.12, residual support = 27.7: * O T HE3 LYS+ 20 - HD3 LYS+ 20 20.000% * 79.9312% (0.85 10.0 10.00 1.23 34.11) = 79.931% kept T HB2 PHE 34 - HD3 LYS+ 20 20.000% * 19.9287% (0.65 1.0 10.00 0.65 2.39) = 19.929% kept HB2 ASP- 25 - HD3 LYS+ 20 20.000% * 0.0773% (0.82 1.0 1.00 0.02 0.02) = 0.077% HG2 MET 118 - HD3 LYS+ 20 20.000% * 0.0518% (0.55 1.0 1.00 0.02 0.02) = 0.052% HG2 PRO 112 - HD3 LYS+ 20 20.000% * 0.0110% (0.12 1.0 1.00 0.02 0.02) = 0.011% Peak 3567 (2.62, 1.41, 29.99 ppm): 10 chemical-shift based assignments, quality = 0.76, support = 1.11, residual support = 27.7: * O T HE3 LYS+ 20 - HD3 LYS+ 20 10.000% * 79.7371% (0.80 10.0 10.00 1.23 34.11) = 79.737% kept T HB2 PHE 34 - HD3 LYS+ 20 10.000% * 19.8803% (0.61 1.0 10.00 0.65 2.39) = 19.880% kept T HB2 PHE 34 - HD3 LYS+ 113 10.000% * 0.1786% (0.18 1.0 10.00 0.02 0.02) = 0.179% HB2 ASP- 25 - HD3 LYS+ 20 10.000% * 0.0771% (0.77 1.0 1.00 0.02 0.02) = 0.077% HG2 MET 118 - HD3 LYS+ 20 10.000% * 0.0517% (0.52 1.0 1.00 0.02 0.02) = 0.052% HE3 LYS+ 20 - HD3 LYS+ 113 10.000% * 0.0233% (0.23 1.0 1.00 0.02 0.02) = 0.023% HB2 ASP- 25 - HD3 LYS+ 113 10.000% * 0.0226% (0.23 1.0 1.00 0.02 0.02) = 0.023% HG2 MET 118 - HD3 LYS+ 113 10.000% * 0.0151% (0.15 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 112 - HD3 LYS+ 20 10.000% * 0.0109% (0.11 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HD3 LYS+ 113 10.000% * 0.0032% (0.03 1.0 1.00 0.02 3.89) = 0.003% Peak 3568 (9.53, 1.94, 32.81 ppm): 5 chemical-shift based assignments, quality = 0.206, support = 0.59, residual support = 1.49: HE1 TRP 51 - HB3 LYS+ 55 20.000% * 50.2954% (0.25 0.65 0.42) = 50.295% kept HE1 TRP 51 - HB2 PRO 35 20.000% * 35.2879% (0.19 0.58 0.14) = 35.288% kept HE1 TRP 51 - HB VAL 13 20.000% * 13.7404% (0.10 0.42 8.96) = 13.740% kept HE1 TRP 51 - HB2 PRO 116 20.000% * 0.3743% (0.06 0.02 0.02) = 0.374% HE1 TRP 51 - HB2 GLU- 75 20.000% * 0.3021% (0.05 0.02 0.02) = 0.302% Reference assignment not found: HE1 TRP 51 - HB3 PRO 59 Peak 3569 (9.53, 1.78, 32.81 ppm): 2 chemical-shift based assignments, quality = 0.0863, support = 0.691, residual support = 1.01: HE1 TRP 51 - HB3 LYS+ 63 50.000% * 71.8049% (0.10 0.75 1.40) = 71.805% kept HE1 TRP 51 - HB2 LYS+ 117 50.000% * 28.1951% (0.05 0.54 0.02) = 28.195% kept Reference assignment not found: HE1 TRP 51 - HB2 PRO 59 Not enough quality. Peak unassigned. Peak 3570 (7.41, 1.79, 32.50 ppm): 2 chemical-shift based assignments, quality = 0.507, support = 3.85, residual support = 18.5: * HN GLU- 64 - HB3 LYS+ 63 50.000% * 78.0857% (0.50 4.60 22.83) = 78.086% kept HN THR 61 - HB3 LYS+ 63 50.000% * 21.9143% (0.54 1.20 3.19) = 21.914% kept Peak 3571 (7.92, 2.28, 33.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN LYS+ 44 - HB2 LYS+ 44 Peak unassigned. Peak 3572 (8.24, 1.83, 32.48 ppm): 33 chemical-shift based assignments, quality = 0.461, support = 1.99, residual support = 12.5: HN GLY 58 - HB2 PRO 59 3.030% * 48.3309% (0.89 1.0 1.71 17.89) = 48.331% kept * O HN VAL 105 - HB2 PRO 104 3.030% * 40.3034% (0.06 10.0 2.77 9.44) = 40.303% kept HN VAL 94 - HB3 LYS+ 63 3.030% * 2.8478% (0.11 1.0 0.84 0.45) = 2.848% kept HN THR 106 - HB2 PRO 104 3.030% * 1.7229% (0.08 1.0 0.67 0.02) = 1.723% kept HN GLU- 45 - HB3 LYS+ 63 3.030% * 1.6724% (0.05 1.0 1.00 0.02) = 1.672% kept HN LEU 67 - HB2 PRO 59 3.030% * 0.5622% (0.88 1.0 0.02 0.80) = 0.562% HN LYS+ 81 - HB2 PRO 59 3.030% * 0.5622% (0.88 1.0 0.02 0.02) = 0.562% HN GLU- 12 - HB2 PRO 59 3.030% * 0.5366% (0.84 1.0 0.02 0.02) = 0.537% HN SER 49 - HB2 PRO 59 3.030% * 0.5366% (0.84 1.0 0.02 0.02) = 0.537% HN THR 106 - HB2 PRO 59 3.030% * 0.2984% (0.47 1.0 0.02 0.02) = 0.298% HN VAL 94 - HB2 PRO 59 3.030% * 0.2543% (0.40 1.0 0.02 0.02) = 0.254% HN ASP- 115 - HB2 PRO 59 3.030% * 0.2543% (0.40 1.0 0.02 0.02) = 0.254% HN VAL 105 - HB2 PRO 59 3.030% * 0.2332% (0.37 1.0 0.02 0.02) = 0.233% HN ALA 11 - HB2 PRO 59 3.030% * 0.1577% (0.25 1.0 0.02 0.02) = 0.158% HN GLY 58 - HB3 LYS+ 63 3.030% * 0.1505% (0.24 1.0 0.02 0.02) = 0.151% HN LYS+ 81 - HB3 LYS+ 63 3.030% * 0.1495% (0.24 1.0 0.02 0.02) = 0.150% HN LEU 67 - HB3 LYS+ 63 3.030% * 0.1495% (0.24 1.0 0.02 0.02) = 0.150% HN GLU- 12 - HB3 LYS+ 63 3.030% * 0.1427% (0.22 1.0 0.02 0.02) = 0.143% HN SER 49 - HB3 LYS+ 63 3.030% * 0.1427% (0.22 1.0 0.02 0.02) = 0.143% HN GLU- 45 - HB2 PRO 59 3.030% * 0.1263% (0.20 1.0 0.02 0.02) = 0.126% HN GLY 58 - HB2 PRO 104 3.030% * 0.0978% (0.15 1.0 0.02 0.02) = 0.098% HN LEU 67 - HB2 PRO 104 3.030% * 0.0972% (0.15 1.0 0.02 0.02) = 0.097% HN LYS+ 81 - HB2 PRO 104 3.030% * 0.0972% (0.15 1.0 0.02 0.02) = 0.097% HN GLU- 12 - HB2 PRO 104 3.030% * 0.0927% (0.15 1.0 0.02 0.02) = 0.093% HN SER 49 - HB2 PRO 104 3.030% * 0.0927% (0.15 1.0 0.02 0.02) = 0.093% HN THR 106 - HB3 LYS+ 63 3.030% * 0.0794% (0.12 1.0 0.02 0.02) = 0.079% HN ASP- 115 - HB3 LYS+ 63 3.030% * 0.0676% (0.11 1.0 0.02 0.02) = 0.068% HN VAL 105 - HB3 LYS+ 63 3.030% * 0.0620% (0.10 1.0 0.02 0.02) = 0.062% HN VAL 94 - HB2 PRO 104 3.030% * 0.0440% (0.07 1.0 0.02 0.02) = 0.044% HN ASP- 115 - HB2 PRO 104 3.030% * 0.0440% (0.07 1.0 0.02 0.02) = 0.044% HN ALA 11 - HB3 LYS+ 63 3.030% * 0.0419% (0.07 1.0 0.02 0.02) = 0.042% HN ALA 11 - HB2 PRO 104 3.030% * 0.0273% (0.04 1.0 0.02 0.02) = 0.027% HN GLU- 45 - HB2 PRO 104 3.030% * 0.0218% (0.03 1.0 0.02 0.02) = 0.022% Peak 3573 (8.42, 1.82, 32.48 ppm): 12 chemical-shift based assignments, quality = 0.508, support = 0.357, residual support = 0.379: HN LYS+ 117 - HB3 LYS+ 63 8.333% * 50.7929% (0.53 0.44 0.73) = 50.793% kept HN ARG+ 53 - HB3 LYS+ 63 8.333% * 37.3587% (0.49 0.35 0.02) = 37.359% kept HN LYS+ 117 - HB2 PRO 59 8.333% * 2.6964% (0.62 0.02 0.02) = 2.696% kept HN CYS 123 - HB2 PRO 59 8.333% * 2.5564% (0.59 0.02 0.02) = 2.556% kept HN ARG+ 53 - HB2 PRO 59 8.333% * 2.4726% (0.57 0.02 0.02) = 2.473% kept HN CYS 123 - HB3 LYS+ 63 8.333% * 2.1904% (0.50 0.02 0.02) = 2.190% kept HN LEU 74 - HB2 PRO 59 8.333% * 0.6346% (0.15 0.02 1.53) = 0.635% HN LEU 74 - HB3 LYS+ 63 8.333% * 0.5438% (0.12 0.02 0.02) = 0.544% HN LYS+ 117 - HB2 PRO 104 8.333% * 0.2433% (0.06 0.02 0.02) = 0.243% HN CYS 123 - HB2 PRO 104 8.333% * 0.2306% (0.05 0.02 0.02) = 0.231% HN ARG+ 53 - HB2 PRO 104 8.333% * 0.2231% (0.05 0.02 0.02) = 0.223% HN LEU 74 - HB2 PRO 104 8.333% * 0.0573% (0.01 0.02 0.02) = 0.057% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3574 (4.28, 1.43, 32.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3575 (4.68, 1.95, 32.81 ppm): 30 chemical-shift based assignments, quality = 0.791, support = 2.92, residual support = 14.8: * O HA PRO 35 - HB2 PRO 35 3.333% * 98.8095% (0.80 10.0 2.96 14.98) = 98.810% kept HA ASN 89 - HB2 PRO 35 3.333% * 0.1223% (0.99 1.0 0.02 0.02) = 0.122% HA TYR 83 - HB2 PRO 35 3.333% * 0.1191% (0.97 1.0 0.02 0.02) = 0.119% HA ASN 89 - HB3 LYS+ 55 3.333% * 0.1150% (0.93 1.0 0.02 0.02) = 0.115% HA TYR 83 - HB3 LYS+ 55 3.333% * 0.1120% (0.91 1.0 0.02 0.21) = 0.112% HA PRO 35 - HB3 LYS+ 55 3.333% * 0.0929% (0.75 1.0 0.02 0.02) = 0.093% HA ASN 89 - HB VAL 13 3.333% * 0.0741% (0.60 1.0 0.02 0.10) = 0.074% HA TYR 83 - HB VAL 13 3.333% * 0.0721% (0.58 1.0 0.02 0.02) = 0.072% HA LYS+ 120 - HB2 PRO 35 3.333% * 0.0601% (0.49 1.0 0.02 0.02) = 0.060% HA PRO 35 - HB VAL 13 3.333% * 0.0599% (0.49 1.0 0.02 0.02) = 0.060% HA LYS+ 120 - HB3 LYS+ 55 3.333% * 0.0565% (0.46 1.0 0.02 0.02) = 0.056% HA LYS+ 120 - HB VAL 13 3.333% * 0.0364% (0.29 1.0 0.02 0.02) = 0.036% HA GLN 16 - HB2 PRO 35 3.333% * 0.0343% (0.28 1.0 0.02 0.02) = 0.034% HA GLN 16 - HB3 LYS+ 55 3.333% * 0.0323% (0.26 1.0 0.02 0.02) = 0.032% HA VAL 99 - HB2 PRO 35 3.333% * 0.0216% (0.18 1.0 0.02 0.02) = 0.022% HA GLN 16 - HB VAL 13 3.333% * 0.0208% (0.17 1.0 0.02 0.02) = 0.021% HA VAL 99 - HB3 LYS+ 55 3.333% * 0.0203% (0.16 1.0 0.02 0.02) = 0.020% HA ASN 89 - HB2 GLU- 75 3.333% * 0.0182% (0.15 1.0 0.02 0.02) = 0.018% HA TYR 83 - HB2 GLU- 75 3.333% * 0.0177% (0.14 1.0 0.02 2.23) = 0.018% HA ASN 89 - HB2 PRO 116 3.333% * 0.0160% (0.13 1.0 0.02 0.02) = 0.016% HA TYR 83 - HB2 PRO 116 3.333% * 0.0156% (0.13 1.0 0.02 0.02) = 0.016% HA PRO 35 - HB2 GLU- 75 3.333% * 0.0147% (0.12 1.0 0.02 0.02) = 0.015% HA VAL 99 - HB VAL 13 3.333% * 0.0131% (0.11 1.0 0.02 0.02) = 0.013% HA PRO 35 - HB2 PRO 116 3.333% * 0.0130% (0.11 1.0 0.02 0.02) = 0.013% HA LYS+ 120 - HB2 GLU- 75 3.333% * 0.0089% (0.07 1.0 0.02 0.02) = 0.009% HA LYS+ 120 - HB2 PRO 116 3.333% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HA GLN 16 - HB2 GLU- 75 3.333% * 0.0051% (0.04 1.0 0.02 0.02) = 0.005% HA GLN 16 - HB2 PRO 116 3.333% * 0.0045% (0.04 1.0 0.02 0.02) = 0.005% HA VAL 99 - HB2 GLU- 75 3.333% * 0.0032% (0.03 1.0 0.02 0.02) = 0.003% HA VAL 99 - HB2 PRO 116 3.333% * 0.0028% (0.02 1.0 0.02 0.02) = 0.003% Peak 3577 (8.27, 2.26, 32.16 ppm): 15 chemical-shift based assignments, quality = 0.412, support = 0.443, residual support = 0.146: HN THR 106 - HB VAL 80 6.667% * 40.8725% (0.31 0.71 0.30) = 40.873% kept HN ASN 89 - HB3 PRO 112 6.667% * 36.5344% (0.57 0.34 0.02) = 36.534% kept HN ASP- 115 - HB VAL 80 6.667% * 5.8865% (0.37 0.09 0.02) = 5.886% kept HN ALA 91 - HB VAL 80 6.667% * 4.8361% (0.23 0.11 0.02) = 4.836% kept HN ASN 89 - HB VAL 80 6.667% * 3.0208% (0.81 0.02 0.02) = 3.021% kept HN ASP- 28 - HB VAL 80 6.667% * 2.2132% (0.60 0.02 0.02) = 2.213% kept HN ALA 91 - HB2 PRO 52 6.667% * 2.1207% (0.02 0.65 0.50) = 2.121% kept HN ASP- 28 - HB3 PRO 112 6.667% * 1.5557% (0.42 0.02 0.02) = 1.556% kept HN ASP- 115 - HB3 PRO 112 6.667% * 0.9605% (0.26 0.02 0.02) = 0.961% HN THR 106 - HB3 PRO 112 6.667% * 0.8041% (0.22 0.02 0.02) = 0.804% HN ALA 91 - HB3 PRO 112 6.667% * 0.5957% (0.16 0.02 0.02) = 0.596% HN ASN 89 - HB2 PRO 52 6.667% * 0.2340% (0.06 0.02 0.02) = 0.234% HN ASP- 28 - HB2 PRO 52 6.667% * 0.1714% (0.05 0.02 0.02) = 0.171% HN ASP- 115 - HB2 PRO 52 6.667% * 0.1058% (0.03 0.02 0.02) = 0.106% HN THR 106 - HB2 PRO 52 6.667% * 0.0886% (0.02 0.02 0.02) = 0.089% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3578 (0.72, 2.35, 31.84 ppm): 20 chemical-shift based assignments, quality = 0.635, support = 1.81, residual support = 17.2: QG2 VAL 65 - HB2 GLU- 64 5.000% * 33.9007% (0.68 2.17 26.48) = 33.901% kept QG1 VAL 65 - HB2 GLU- 64 5.000% * 29.7722% (0.45 2.92 26.48) = 29.772% kept QD1 ILE 68 - HB2 GLU- 64 5.000% * 15.1321% (0.76 0.87 0.02) = 15.132% kept QG2 ILE 48 - HB2 GLU- 64 5.000% * 9.5454% (0.78 0.53 3.02) = 9.545% kept QG2 THR 96 - HB2 GLU- 64 5.000% * 5.2788% (0.64 0.36 0.02) = 5.279% kept QG2 ILE 101 - HB2 GLU- 64 5.000% * 3.1521% (0.78 0.18 0.02) = 3.152% kept HG LEU 74 - HB2 GLU- 64 5.000% * 2.2494% (0.99 0.10 0.02) = 2.249% kept QG1 VAL 40 - HB2 GLU- 64 5.000% * 0.3645% (0.80 0.02 0.02) = 0.364% HG3 LYS+ 66 - HB2 GLU- 64 5.000% * 0.1871% (0.41 0.02 0.02) = 0.187% HG3 LYS+ 44 - HB2 GLU- 64 5.000% * 0.1871% (0.41 0.02 0.02) = 0.187% HG LEU 74 - HB3 PRO 86 5.000% * 0.0342% (0.07 0.02 0.02) = 0.034% QG1 VAL 40 - HB3 PRO 86 5.000% * 0.0274% (0.06 0.02 0.02) = 0.027% QG2 ILE 48 - HB3 PRO 86 5.000% * 0.0269% (0.06 0.02 0.49) = 0.027% QG2 ILE 101 - HB3 PRO 86 5.000% * 0.0267% (0.06 0.02 0.11) = 0.027% QD1 ILE 68 - HB3 PRO 86 5.000% * 0.0262% (0.06 0.02 0.02) = 0.026% QG2 VAL 65 - HB3 PRO 86 5.000% * 0.0235% (0.05 0.02 0.02) = 0.024% QG2 THR 96 - HB3 PRO 86 5.000% * 0.0222% (0.05 0.02 0.02) = 0.022% QG1 VAL 65 - HB3 PRO 86 5.000% * 0.0154% (0.03 0.02 0.02) = 0.015% HG3 LYS+ 44 - HB3 PRO 86 5.000% * 0.0141% (0.03 0.02 0.02) = 0.014% HG3 LYS+ 66 - HB3 PRO 86 5.000% * 0.0141% (0.03 0.02 0.02) = 0.014% Peak 3579 (0.91, 2.35, 31.84 ppm): 24 chemical-shift based assignments, quality = 0.543, support = 0.817, residual support = 4.61: QG2 VAL 80 - HB2 GLU- 64 4.167% * 29.2123% (0.83 0.24 0.02) = 29.212% kept QG2 VAL 87 - HB3 PRO 86 4.167% * 22.4666% (0.05 3.04 20.31) = 22.467% kept QD1 LEU 67 - HB2 GLU- 64 4.167% * 16.0665% (0.83 0.13 0.16) = 16.066% kept HG12 ILE 68 - HB2 GLU- 64 4.167% * 10.2948% (0.64 0.11 0.02) = 10.295% kept HG3 LYS+ 117 - HB3 PRO 86 4.167% * 4.9876% (0.07 0.52 0.02) = 4.988% kept HG3 LYS+ 117 - HB2 GLU- 64 4.167% * 2.5611% (0.89 0.02 0.02) = 2.561% kept QG1 VAL 47 - HB2 GLU- 64 4.167% * 2.1824% (0.76 0.02 0.51) = 2.182% kept HG3 LYS+ 110 - HB2 GLU- 64 4.167% * 2.0737% (0.72 0.02 0.02) = 2.074% kept QG2 VAL 40 - HB2 GLU- 64 4.167% * 1.9616% (0.68 0.02 0.02) = 1.962% kept QG2 VAL 87 - HB2 GLU- 64 4.167% * 1.9616% (0.68 0.02 0.02) = 1.962% kept QG2 VAL 105 - HB2 GLU- 64 4.167% * 1.0718% (0.37 0.02 0.02) = 1.072% kept QD1 LEU 17 - HB2 GLU- 64 4.167% * 0.9741% (0.34 0.02 0.02) = 0.974% QG1 VAL 80 - HB2 GLU- 64 4.167% * 0.9741% (0.34 0.02 0.02) = 0.974% QG1 VAL 105 - HB2 GLU- 64 4.167% * 0.8814% (0.31 0.02 0.02) = 0.881% QG1 VAL 47 - HB3 PRO 86 4.167% * 0.7971% (0.06 0.10 0.02) = 0.797% HG3 LYS+ 110 - HB3 PRO 86 4.167% * 0.5944% (0.05 0.08 0.02) = 0.594% QD1 LEU 67 - HB3 PRO 86 4.167% * 0.1794% (0.06 0.02 0.02) = 0.179% QG2 VAL 80 - HB3 PRO 86 4.167% * 0.1794% (0.06 0.02 0.02) = 0.179% QG2 VAL 40 - HB3 PRO 86 4.167% * 0.1476% (0.05 0.02 0.02) = 0.148% HG12 ILE 68 - HB3 PRO 86 4.167% * 0.1390% (0.05 0.02 0.02) = 0.139% QG2 VAL 105 - HB3 PRO 86 4.167% * 0.0806% (0.03 0.02 0.02) = 0.081% QD1 LEU 17 - HB3 PRO 86 4.167% * 0.0733% (0.03 0.02 0.02) = 0.073% QG1 VAL 80 - HB3 PRO 86 4.167% * 0.0733% (0.03 0.02 0.02) = 0.073% QG1 VAL 105 - HB3 PRO 86 4.167% * 0.0663% (0.02 0.02 0.02) = 0.066% Peak 3581 (0.96, 2.06, 32.18 ppm): 21 chemical-shift based assignments, quality = 0.172, support = 1.97, residual support = 29.1: * O QG2 VAL 62 - HB VAL 62 4.762% * 89.5037% (0.16 10.0 2.16 32.46) = 89.504% kept QG2 VAL 99 - HB VAL 62 4.762% * 3.9786% (0.29 1.0 0.51 1.04) = 3.979% kept QG2 ILE 29 - HB VAL 62 4.762% * 2.6938% (0.21 1.0 0.47 0.02) = 2.694% kept QG2 VAL 73 - HB3 GLU- 75 4.762% * 2.4276% (0.35 1.0 0.26 0.02) = 2.428% kept QD1 LEU 17 - HB3 GLU- 75 4.762% * 0.3495% (0.11 1.0 0.11 0.20) = 0.349% QG2 VAL 99 - HB3 GLU- 75 4.762% * 0.2737% (0.50 1.0 0.02 0.02) = 0.274% QG2 ILE 29 - HB3 GLU- 75 4.762% * 0.2005% (0.37 1.0 0.02 0.02) = 0.201% QG2 VAL 62 - HB3 GLU- 75 4.762% * 0.1563% (0.29 1.0 0.02 0.02) = 0.156% QG2 VAL 73 - HB VAL 62 4.762% * 0.1086% (0.20 1.0 0.02 0.02) = 0.109% QG1 VAL 105 - HB3 GLU- 75 4.762% * 0.0689% (0.13 1.0 0.02 0.02) = 0.069% QG2 VAL 105 - HB3 GLU- 75 4.762% * 0.0546% (0.10 1.0 0.02 0.02) = 0.055% QG1 VAL 105 - HB VAL 62 4.762% * 0.0394% (0.07 1.0 0.02 0.02) = 0.039% QD1 LEU 17 - HB VAL 62 4.762% * 0.0352% (0.06 1.0 0.02 0.02) = 0.035% QG2 VAL 105 - HB VAL 62 4.762% * 0.0313% (0.06 1.0 0.02 0.02) = 0.031% QG2 VAL 99 - HB3 GLU- 64 4.762% * 0.0213% (0.04 1.0 0.02 0.02) = 0.021% QG2 ILE 29 - HB3 GLU- 64 4.762% * 0.0156% (0.03 1.0 0.02 0.02) = 0.016% QG2 VAL 73 - HB3 GLU- 64 4.762% * 0.0148% (0.03 1.0 0.02 0.02) = 0.015% QG2 VAL 62 - HB3 GLU- 64 4.762% * 0.0122% (0.02 1.0 0.02 3.42) = 0.012% QG1 VAL 105 - HB3 GLU- 64 4.762% * 0.0054% (0.01 1.0 0.02 0.02) = 0.005% QD1 LEU 17 - HB3 GLU- 64 4.762% * 0.0048% (0.01 1.0 0.02 0.02) = 0.005% QG2 VAL 105 - HB3 GLU- 64 4.762% * 0.0043% (0.01 1.0 0.02 0.02) = 0.004% Peak 3582 (0.75, 2.06, 32.18 ppm): 21 chemical-shift based assignments, quality = 0.275, support = 1.24, residual support = 3.23: HG3 LYS+ 44 - HB3 GLU- 75 4.762% * 43.0379% (0.41 1.59 3.27) = 43.038% kept QG1 VAL 40 - HB3 GLU- 75 4.762% * 13.7613% (0.21 0.99 0.85) = 13.761% kept QG2 ILE 101 - HB3 GLU- 75 4.762% * 10.1893% (0.09 1.77 1.34) = 10.189% kept HG3 LYS+ 66 - HB3 GLU- 75 4.762% * 7.2592% (0.41 0.27 0.02) = 7.259% kept QD1 ILE 68 - HB3 GLU- 75 4.762% * 5.7445% (0.23 0.38 0.02) = 5.745% kept QG2 ILE 48 - HB3 GLU- 75 4.762% * 5.4854% (0.23 0.36 0.02) = 5.485% kept QG2 ILE 48 - HB VAL 62 4.762% * 4.3116% (0.13 0.50 9.49) = 4.312% kept QG2 VAL 65 - HB3 GLU- 64 4.762% * 4.1383% (0.02 2.98 26.48) = 4.138% kept QG2 ILE 101 - HB VAL 62 4.762% * 2.3484% (0.05 0.71 0.77) = 2.348% kept QG2 ILE 48 - HB3 GLU- 64 4.762% * 1.2471% (0.02 1.06 3.02) = 1.247% kept QD1 ILE 68 - HB3 GLU- 64 4.762% * 0.5316% (0.02 0.45 0.02) = 0.532% QG2 VAL 65 - HB3 GLU- 75 4.762% * 0.3563% (0.27 0.02 0.02) = 0.356% QG2 ILE 101 - HB3 GLU- 64 4.762% * 0.3249% (0.01 0.72 0.02) = 0.325% HG3 LYS+ 44 - HB VAL 62 4.762% * 0.3105% (0.23 0.02 1.08) = 0.310% HG3 LYS+ 66 - HB VAL 62 4.762% * 0.3105% (0.23 0.02 0.02) = 0.310% QG2 VAL 65 - HB VAL 62 4.762% * 0.2040% (0.15 0.02 0.02) = 0.204% QD1 ILE 68 - HB VAL 62 4.762% * 0.1738% (0.13 0.02 0.02) = 0.174% QG1 VAL 40 - HB VAL 62 4.762% * 0.1594% (0.12 0.02 0.02) = 0.159% HG3 LYS+ 66 - HB3 GLU- 64 4.762% * 0.0422% (0.03 0.02 0.02) = 0.042% HG3 LYS+ 44 - HB3 GLU- 64 4.762% * 0.0422% (0.03 0.02 0.02) = 0.042% QG1 VAL 40 - HB3 GLU- 64 4.762% * 0.0217% (0.02 0.02 0.02) = 0.022% Peak 3583 (1.19, 1.44, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3584 (0.72, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3585 (0.55, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3586 (0.55, 1.44, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3587 (0.36, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3588 (0.36, 1.44, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3589 (1.19, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3590 (1.63, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3591 (1.63, 1.44, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3592 (1.44, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3593 (4.27, 1.63, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3594 (1.46, 1.61, 31.96 ppm): 11 chemical-shift based assignments, quality = 0.745, support = 5.36, residual support = 113.0: O HG3 PRO 52 - HB3 PRO 52 9.091% * 94.1457% (0.76 10.0 5.65 119.95) = 94.146% kept HB3 LEU 67 - HB3 PRO 52 9.091% * 3.7316% (0.71 1.0 0.84 0.14) = 3.732% kept HG LEU 90 - HB3 PRO 52 9.091% * 1.7099% (0.31 1.0 0.89 2.38) = 1.710% kept HG13 ILE 48 - HB3 PRO 52 9.091% * 0.1020% (0.82 1.0 0.02 0.02) = 0.102% HG3 LYS+ 60 - HB3 PRO 52 9.091% * 0.0965% (0.78 1.0 0.02 0.02) = 0.096% HG2 PRO 59 - HB3 PRO 52 9.091% * 0.0965% (0.78 1.0 0.02 0.02) = 0.096% HB3 LYS+ 44 - HB3 PRO 52 9.091% * 0.0348% (0.28 1.0 0.02 0.02) = 0.035% QB ALA 70 - HB3 PRO 52 9.091% * 0.0315% (0.25 1.0 0.02 0.02) = 0.031% HG3 LYS+ 113 - HB3 PRO 52 9.091% * 0.0202% (0.16 1.0 0.02 0.02) = 0.020% HG3 ARG+ 22 - HB3 PRO 52 9.091% * 0.0157% (0.13 1.0 0.02 0.02) = 0.016% HG3 LYS+ 55 - HB3 PRO 52 9.091% * 0.0157% (0.13 1.0 0.02 2.54) = 0.016% Peak 3595 (4.29, 1.61, 31.95 ppm): 15 chemical-shift based assignments, quality = 0.446, support = 3.85, residual support = 98.7: O HA PRO 52 - HB3 PRO 52 6.667% * 81.9977% (0.41 10.0 4.31 119.95) = 81.998% kept HA LEU 90 - HB3 PRO 52 6.667% * 14.2692% (0.67 1.0 2.12 2.38) = 14.269% kept HA VAL 122 - HB3 PRO 52 6.667% * 2.5904% (0.61 1.0 0.42 1.73) = 2.590% kept HA CYS 121 - HB3 PRO 52 6.667% * 0.1681% (0.84 1.0 0.02 0.02) = 0.168% HA THR 106 - HB3 PRO 52 6.667% * 0.1670% (0.83 1.0 0.02 0.02) = 0.167% HA ASP- 36 - HB3 PRO 52 6.667% * 0.1594% (0.79 1.0 0.02 0.02) = 0.159% HB3 CYS 121 - HB3 PRO 52 6.667% * 0.1594% (0.79 1.0 0.02 0.02) = 0.159% HA VAL 94 - HB3 PRO 52 6.667% * 0.0886% (0.44 1.0 0.02 0.02) = 0.089% HA ILE 29 - HB3 PRO 52 6.667% * 0.0820% (0.41 1.0 0.02 3.61) = 0.082% HA ARG+ 84 - HB3 PRO 52 6.667% * 0.0820% (0.41 1.0 0.02 0.02) = 0.082% HA SER 85 - HB3 PRO 52 6.667% * 0.0820% (0.41 1.0 0.02 0.02) = 0.082% HA ALA 93 - HB3 PRO 52 6.667% * 0.0520% (0.26 1.0 0.02 0.02) = 0.052% HA GLU- 56 - HB3 PRO 52 6.667% * 0.0468% (0.23 1.0 0.02 0.02) = 0.047% HA GLU- 64 - HB3 PRO 52 6.667% * 0.0295% (0.15 1.0 0.02 0.02) = 0.030% HA GLU- 75 - HB3 PRO 52 6.667% * 0.0260% (0.13 1.0 0.02 0.02) = 0.026% Peak 3596 (4.59, 1.71, 32.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3597 (1.45, 1.70, 32.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3598 (3.61, 2.18, 32.19 ppm): 6 chemical-shift based assignments, quality = 0.307, support = 4.08, residual support = 33.5: * O HD2 PRO 104 - HB3 PRO 104 16.667% * 84.7456% (0.27 10.0 1.00 4.53 38.93) = 84.746% kept HD2 PRO 112 - HB3 PRO 104 16.667% * 14.5420% (0.55 1.0 1.00 1.69 3.72) = 14.542% kept T HD2 PRO 112 - HB3 GLU- 75 16.667% * 0.3773% (0.12 1.0 10.00 0.02 0.30) = 0.377% T HD2 PRO 104 - HB3 GLU- 75 16.667% * 0.1853% (0.06 1.0 10.00 0.02 0.02) = 0.185% T HD2 PRO 31 - HB3 GLU- 75 16.667% * 0.1028% (0.03 1.0 10.00 0.02 0.02) = 0.103% HD2 PRO 31 - HB3 PRO 104 16.667% * 0.0470% (0.15 1.0 1.00 0.02 0.02) = 0.047% Peak 3599 (3.76, 1.85, 32.26 ppm): 6 chemical-shift based assignments, quality = 0.501, support = 5.03, residual support = 38.9: * O HD3 PRO 104 - HB2 PRO 104 16.667% * 99.8934% (0.50 10.0 5.04 38.93) = 99.893% kept HA LEU 43 - HB2 PRO 104 16.667% * 0.0491% (0.25 1.0 0.02 0.02) = 0.049% HD3 PRO 104 - HB2 PRO 59 16.667% * 0.0242% (0.12 1.0 0.02 0.02) = 0.024% HD3 PRO 104 - HB3 ARG+ 84 16.667% * 0.0144% (0.07 1.0 0.02 0.02) = 0.014% HA LEU 43 - HB2 PRO 59 16.667% * 0.0119% (0.06 1.0 0.02 0.02) = 0.012% HA LEU 43 - HB3 ARG+ 84 16.667% * 0.0071% (0.04 1.0 0.02 0.02) = 0.007% Peak 3600 (7.34, 7.37, 32.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3601 (7.34, 7.31, 32.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3602 (2.58, 2.58, 32.91 ppm): 1 diagonal assignment: * HB3 PRO 35 - HB3 PRO 35 (0.79) kept Peak 3603 (1.96, 2.58, 32.91 ppm): 14 chemical-shift based assignments, quality = 0.682, support = 2.69, residual support = 11.0: O HB2 PRO 35 - HB3 PRO 35 7.143% * 70.4108% (0.83 10.0 1.00 3.00 14.98) = 70.411% kept T HG2 PRO 112 - HB3 PRO 35 7.143% * 29.0360% (0.34 1.0 10.00 1.98 1.64) = 29.036% kept HG3 PRO 116 - HB3 PRO 35 7.143% * 0.0710% (0.83 1.0 1.00 0.02 0.02) = 0.071% HB VAL 13 - HB3 PRO 35 7.143% * 0.0709% (0.83 1.0 1.00 0.02 0.02) = 0.071% HB3 GLU- 109 - HB3 PRO 35 7.143% * 0.0686% (0.81 1.0 1.00 0.02 0.02) = 0.069% HG3 PRO 31 - HB3 PRO 35 7.143% * 0.0616% (0.72 1.0 1.00 0.02 0.02) = 0.062% HB3 LYS+ 55 - HB3 PRO 35 7.143% * 0.0593% (0.70 1.0 1.00 0.02 0.02) = 0.059% HB2 GLU- 75 - HB3 PRO 35 7.143% * 0.0460% (0.54 1.0 1.00 0.02 0.02) = 0.046% HB VAL 73 - HB3 PRO 35 7.143% * 0.0431% (0.51 1.0 1.00 0.02 0.02) = 0.043% HG3 PRO 104 - HB3 PRO 35 7.143% * 0.0374% (0.44 1.0 1.00 0.02 0.02) = 0.037% HB3 GLU- 56 - HB3 PRO 35 7.143% * 0.0292% (0.34 1.0 1.00 0.02 0.02) = 0.029% HB2 GLU- 10 - HB3 PRO 35 7.143% * 0.0242% (0.28 1.0 1.00 0.02 0.02) = 0.024% HB2 PRO 116 - HB3 PRO 35 7.143% * 0.0242% (0.28 1.0 1.00 0.02 0.02) = 0.024% HB2 PRO 86 - HB3 PRO 35 7.143% * 0.0177% (0.21 1.0 1.00 0.02 0.02) = 0.018% Peak 3605 (2.32, 2.32, 32.16 ppm): 2 diagonal assignments: * HB3 PRO 86 - HB3 PRO 86 (0.99) kept HB3 PRO 116 - HB3 PRO 116 (0.08) kept Peak 3606 (1.94, 1.94, 31.84 ppm): 1 diagonal assignment: HB2 GLU- 75 - HB2 GLU- 75 (0.78) kept Reference assignment not found: HB3 GLU- 75 - HB3 GLU- 75 Peak 3607 (1.96, 2.32, 32.25 ppm): 28 chemical-shift based assignments, quality = 0.248, support = 3.28, residual support = 19.0: O HG3 PRO 116 - HB3 PRO 116 3.571% * 48.0097% (0.32 10.0 2.81 17.74) = 48.010% kept O HB2 PRO 86 - HB3 PRO 86 3.571% * 33.5555% (0.22 10.0 3.97 22.64) = 33.556% kept * O HB2 PRO 116 - HB3 PRO 116 3.571% * 16.3765% (0.11 10.0 3.66 17.74) = 16.377% kept HB3 GLU- 56 - HB3 PRO 86 3.571% * 0.5334% (0.37 1.0 0.19 0.02) = 0.533% HG3 PRO 116 - HB3 PRO 86 3.571% * 0.1346% (0.90 1.0 0.02 0.02) = 0.135% HB VAL 13 - HB3 PRO 86 3.571% * 0.1343% (0.90 1.0 0.02 0.02) = 0.134% HB2 PRO 35 - HB3 PRO 86 3.571% * 0.1334% (0.89 1.0 0.02 0.02) = 0.133% HB3 GLU- 109 - HB3 PRO 86 3.571% * 0.1299% (0.87 1.0 0.02 0.02) = 0.130% HG3 PRO 31 - HB3 PRO 86 3.571% * 0.1167% (0.78 1.0 0.02 0.02) = 0.117% HB3 LYS+ 55 - HB3 PRO 86 3.571% * 0.1124% (0.75 1.0 0.02 0.02) = 0.112% HB2 GLU- 75 - HB3 PRO 86 3.571% * 0.0871% (0.58 1.0 0.02 0.02) = 0.087% HB VAL 73 - HB3 PRO 86 3.571% * 0.0816% (0.55 1.0 0.02 0.02) = 0.082% HG3 PRO 104 - HB3 PRO 86 3.571% * 0.0708% (0.47 1.0 0.02 0.02) = 0.071% HG2 PRO 112 - HB3 PRO 86 3.571% * 0.0554% (0.37 1.0 0.02 0.02) = 0.055% HB VAL 13 - HB3 PRO 116 3.571% * 0.0479% (0.32 1.0 0.02 0.02) = 0.048% HB2 PRO 35 - HB3 PRO 116 3.571% * 0.0476% (0.32 1.0 0.02 0.02) = 0.048% HB3 GLU- 109 - HB3 PRO 116 3.571% * 0.0463% (0.31 1.0 0.02 0.02) = 0.046% HB2 PRO 116 - HB3 PRO 86 3.571% * 0.0459% (0.31 1.0 0.02 0.02) = 0.046% HB2 GLU- 10 - HB3 PRO 86 3.571% * 0.0459% (0.31 1.0 0.02 0.02) = 0.046% HG3 PRO 31 - HB3 PRO 116 3.571% * 0.0416% (0.28 1.0 0.02 0.02) = 0.042% HB3 LYS+ 55 - HB3 PRO 116 3.571% * 0.0401% (0.27 1.0 0.02 0.02) = 0.040% HB2 GLU- 75 - HB3 PRO 116 3.571% * 0.0311% (0.21 1.0 0.02 0.02) = 0.031% HB VAL 73 - HB3 PRO 116 3.571% * 0.0291% (0.19 1.0 0.02 0.02) = 0.029% HG3 PRO 104 - HB3 PRO 116 3.571% * 0.0253% (0.17 1.0 0.02 0.02) = 0.025% HG2 PRO 112 - HB3 PRO 116 3.571% * 0.0198% (0.13 1.0 0.02 0.02) = 0.020% HB3 GLU- 56 - HB3 PRO 116 3.571% * 0.0197% (0.13 1.0 0.02 0.02) = 0.020% HB2 GLU- 10 - HB3 PRO 116 3.571% * 0.0164% (0.11 1.0 0.02 0.02) = 0.016% HB2 PRO 86 - HB3 PRO 116 3.571% * 0.0120% (0.08 1.0 0.02 0.02) = 0.012% Peak 3608 (2.36, 2.36, 34.32 ppm): 1 diagonal assignment: HB2 LYS+ 78 - HB2 LYS+ 78 (0.10) kept Peak 3609 (9.04, 2.40, 34.10 ppm): 2 chemical-shift based assignments, quality = 0.665, support = 4.56, residual support = 20.3: * HN THR 79 - HB2 LYS+ 78 50.000% * 89.8177% (0.67 5.01 22.64) = 89.818% kept HN GLY 30 - HB2 LYS+ 78 50.000% * 10.1823% (0.63 0.60 0.02) = 10.182% kept Peak 3610 (7.59, 2.40, 34.10 ppm): 6 chemical-shift based assignments, quality = 0.633, support = 5.41, residual support = 41.6: * O HN LYS+ 78 - HB2 LYS+ 78 16.667% * 99.7575% (0.63 10.0 5.43 41.73) = 99.757% kept HD21 ASN 15 - HB2 LYS+ 78 16.667% * 0.1090% (0.69 1.0 0.02 0.02) = 0.109% HN ASP- 25 - HB2 LYS+ 78 16.667% * 0.0585% (0.37 1.0 0.02 0.02) = 0.059% HN VAL 65 - HB2 LYS+ 78 16.667% * 0.0277% (0.18 1.0 0.02 0.02) = 0.028% HD22 ASN 119 - HB2 LYS+ 78 16.667% * 0.0277% (0.18 1.0 0.02 0.02) = 0.028% HD21 ASN 57 - HB2 LYS+ 78 16.667% * 0.0195% (0.12 1.0 0.02 0.02) = 0.019% Peak 3611 (6.71, 2.40, 34.10 ppm): 1 chemical-shift based assignment, quality = 0.197, support = 0.75, residual support = 2.49: * T QE TYR 83 - HB2 LYS+ 78 100.000% *100.0000% (0.20 10.00 0.75 2.49) = 100.000% kept Not enough quality. Peak unassigned. Peak 3612 (4.56, 2.40, 34.10 ppm): 4 chemical-shift based assignments, quality = 0.513, support = 4.12, residual support = 41.7: * O HA LYS+ 78 - HB2 LYS+ 78 25.000% * 99.8182% (0.51 10.0 4.12 41.73) = 99.818% kept HA LEU 17 - HB2 LYS+ 78 25.000% * 0.1051% (0.54 1.0 0.02 0.02) = 0.105% HA ALA 103 - HB2 LYS+ 78 25.000% * 0.0424% (0.22 1.0 0.02 0.02) = 0.042% HA LYS+ 72 - HB2 LYS+ 78 25.000% * 0.0343% (0.18 1.0 0.02 0.02) = 0.034% Peak 3613 (2.40, 2.40, 34.10 ppm): 1 diagonal assignment: * HB2 LYS+ 78 - HB2 LYS+ 78 (0.46) kept Peak 3614 (7.36, 2.24, 33.78 ppm): 16 chemical-shift based assignments, quality = 0.664, support = 1.66, residual support = 26.0: * O HE22 GLN 102 - HG3 GLN 102 6.250% * 93.9682% (0.65 10.0 1.72 27.58) = 93.968% kept HE22 GLN 102 - HG3 GLN 16 6.250% * 5.6961% (0.90 1.0 0.75 1.68) = 5.696% kept HE22 GLN 102 - HG3 MET 126 6.250% * 0.0595% (0.35 1.0 0.02 0.02) = 0.060% HZ2 TRP 51 - HG3 GLN 16 6.250% * 0.0366% (0.22 1.0 0.02 0.30) = 0.037% HZ PHE 34 - HG3 GLN 16 6.250% * 0.0366% (0.22 1.0 0.02 0.02) = 0.037% QE PHE 34 - HG3 GLN 16 6.250% * 0.0366% (0.22 1.0 0.02 0.02) = 0.037% QE PHE 34 - HG3 GLN 102 6.250% * 0.0264% (0.16 1.0 0.02 0.02) = 0.026% HZ2 TRP 51 - HG3 GLN 102 6.250% * 0.0264% (0.16 1.0 0.02 0.02) = 0.026% HZ PHE 34 - HG3 GLN 102 6.250% * 0.0264% (0.16 1.0 0.02 0.02) = 0.026% HE22 GLN 102 - HG3 MET 97 6.250% * 0.0255% (0.15 1.0 0.02 0.02) = 0.026% HZ2 TRP 51 - HG3 MET 126 6.250% * 0.0144% (0.09 1.0 0.02 0.02) = 0.014% QE PHE 34 - HG3 MET 126 6.250% * 0.0144% (0.09 1.0 0.02 0.02) = 0.014% HZ PHE 34 - HG3 MET 126 6.250% * 0.0144% (0.09 1.0 0.02 0.02) = 0.014% QE PHE 34 - HG3 MET 97 6.250% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% HZ2 TRP 51 - HG3 MET 97 6.250% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% HZ PHE 34 - HG3 MET 97 6.250% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% Peak 3616 (7.36, 2.11, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.308, support = 0.712, residual support = 1.59: HE22 GLN 102 - HG2 GLN 16 25.000% * 94.3611% (0.32 0.75 1.68) = 94.361% kept HZ PHE 34 - HG2 GLN 16 25.000% * 2.5160% (0.08 0.08 0.02) = 2.516% kept QE PHE 34 - HG2 GLN 16 25.000% * 2.5160% (0.08 0.08 0.02) = 2.516% kept HZ2 TRP 51 - HG2 GLN 16 25.000% * 0.6069% (0.08 0.02 0.30) = 0.607% Peak 3617 (8.19, 2.11, 33.78 ppm): 5 chemical-shift based assignments, quality = 0.249, support = 3.71, residual support = 56.2: HN GLN 16 - HG2 GLN 16 20.000% * 87.8488% (0.25 4.19 63.73) = 87.849% kept HN ALA 33 - HG2 GLN 16 20.000% * 7.0670% (0.30 0.28 2.54) = 7.067% kept HN SER 41 - HG2 GLN 16 20.000% * 3.3357% (0.13 0.31 0.02) = 3.336% kept HN ALA 11 - HG2 GLN 16 20.000% * 1.0885% (0.07 0.19 0.02) = 1.089% kept HN GLU- 45 - HG2 GLN 16 20.000% * 0.6600% (0.09 0.09 0.02) = 0.660% Peak 3618 (8.92, 2.11, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.247, support = 0.46, residual support = 1.6: HN GLN 102 - HG2 GLN 16 25.000% * 95.2354% (0.25 0.48 1.68) = 95.235% kept HN PHE 21 - HG2 GLN 16 25.000% * 2.0414% (0.13 0.02 0.02) = 2.041% kept HN THR 96 - HG2 GLN 16 25.000% * 1.5123% (0.10 0.02 0.02) = 1.512% kept HN ARG+ 22 - HG2 GLN 16 25.000% * 1.2110% (0.08 0.02 0.02) = 1.211% kept Peak 3619 (9.07, 1.85, 34.49 ppm): 6 chemical-shift based assignments, quality = 0.952, support = 3.14, residual support = 30.5: * O HN LYS+ 66 - HB2 LYS+ 66 16.667% * 99.6963% (0.95 10.0 3.15 30.57) = 99.696% kept HN GLU- 54 - HB2 LYS+ 66 16.667% * 0.0977% (0.94 1.0 0.02 0.02) = 0.098% HN LYS+ 66 - HB3 LYS+ 60 16.667% * 0.0878% (0.84 1.0 0.02 0.02) = 0.088% HN GLU- 54 - HB3 LYS+ 60 16.667% * 0.0861% (0.82 1.0 0.02 0.02) = 0.086% HN LYS+ 66 - HB3 LYS+ 72 16.667% * 0.0162% (0.16 1.0 0.02 0.02) = 0.016% HN GLU- 54 - HB3 LYS+ 72 16.667% * 0.0159% (0.15 1.0 0.02 0.02) = 0.016% Peak 3620 (6.65, 2.11, 33.78 ppm): 1 chemical-shift based assignment, quality = 0.33, support = 0.75, residual support = 1.68: HE21 GLN 102 - HG2 GLN 16 100.000% *100.0000% (0.33 0.75 1.68) = 100.000% kept Peak 3621 (6.66, 2.24, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.351, support = 1.67, residual support = 26.1: * O HE21 GLN 102 - HG3 GLN 102 25.000% * 94.2371% (0.34 10.0 1.73 27.58) = 94.237% kept HE21 GLN 102 - HG3 GLN 16 25.000% * 5.6781% (0.48 1.0 0.75 1.68) = 5.678% kept HE21 GLN 102 - HG3 MET 126 25.000% * 0.0593% (0.19 1.0 0.02 0.02) = 0.059% HE21 GLN 102 - HG3 MET 97 25.000% * 0.0255% (0.08 1.0 0.02 0.02) = 0.025% Peak 3622 (-0.03, 1.85, 33.99 ppm): 2 chemical-shift based assignments, quality = 0.845, support = 0.504, residual support = 0.356: * T QD1 LEU 74 - HB3 LYS+ 72 50.000% * 95.7855% (0.84 10.00 0.52 0.37) = 95.785% kept T QD1 LEU 74 - HB VAL 94 50.000% * 4.2145% (0.97 10.00 0.02 0.02) = 4.215% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3623 (0.02, 2.20, 34.10 ppm): 6 chemical-shift based assignments, quality = 0.588, support = 0.899, residual support = 5.22: * QG2 ILE 19 - HG3 MET 97 16.667% * 65.2907% (0.62 1.00 1.24 7.98) = 65.291% kept QG2 ILE 19 - HG2 MET 126 16.667% * 15.8176% (0.62 1.00 0.30 0.02) = 15.818% kept QG2 ILE 19 - HG3 MET 126 16.667% * 13.2741% (0.49 1.00 0.32 0.02) = 13.274% kept T QG2 ILE 19 - HG3 GLN 102 16.667% * 4.0597% (0.24 10.00 0.02 0.02) = 4.060% kept QG2 ILE 19 - HB VAL 99 16.667% * 1.1001% (0.65 1.00 0.02 0.02) = 1.100% kept QG2 ILE 19 - HG2 GLN 102 16.667% * 0.4577% (0.27 1.00 0.02 0.02) = 0.458% Peak 3625 (7.53, 1.67, 33.13 ppm): 1 chemical-shift based assignment, quality = 0.892, support = 3.7, residual support = 17.4: HN ASP- 82 - HB3 LYS+ 81 100.000% *100.0000% (0.89 3.70 17.41) = 100.000% kept Peak 3626 (8.25, 1.67, 33.13 ppm): 8 chemical-shift based assignments, quality = 0.684, support = 4.2, residual support = 44.5: * O HN LYS+ 81 - HB3 LYS+ 81 12.500% * 85.4910% (0.68 10.0 4.73 51.89) = 85.491% kept HN THR 106 - HB3 LYS+ 81 12.500% * 7.9144% (0.86 1.0 1.47 2.05) = 7.914% kept HN GLU- 12 - HB3 LYS+ 81 12.500% * 4.3379% (0.77 1.0 0.89 0.24) = 4.338% kept HN GLY 58 - HB3 LYS+ 81 12.500% * 0.9076% (0.58 1.0 0.25 0.02) = 0.908% HN SER 49 - HB3 LYS+ 81 12.500% * 0.7101% (0.43 1.0 0.26 0.02) = 0.710% HN ASP- 115 - HB3 LYS+ 81 12.500% * 0.4355% (0.82 1.0 0.08 0.02) = 0.435% HN ASN 89 - HB3 LYS+ 81 12.500% * 0.1181% (0.18 1.0 0.11 0.02) = 0.118% HN LEU 67 - HB3 LYS+ 81 12.500% * 0.0855% (0.68 1.0 0.02 0.02) = 0.085% Peak 3627 (3.68, 1.67, 33.13 ppm): 3 chemical-shift based assignments, quality = 0.402, support = 3.49, residual support = 44.1: * O T HA LYS+ 81 - HB3 LYS+ 81 33.333% * 84.9485% (0.43 10.0 10.00 3.99 51.89) = 84.948% kept T HB3 SER 69 - HB3 LYS+ 81 33.333% * 14.9527% (0.22 1.0 10.00 0.69 0.43) = 14.953% kept HB2 TRP 51 - HB3 LYS+ 81 33.333% * 0.0988% (0.50 1.0 1.00 0.02 0.02) = 0.099% Peak 3628 (1.67, 1.67, 33.13 ppm): 1 diagonal assignment: * HB3 LYS+ 81 - HB3 LYS+ 81 (0.89) kept Peak 3629 (7.76, 2.58, 32.91 ppm): 6 chemical-shift based assignments, quality = 0.802, support = 2.01, residual support = 2.62: * HN ALA 37 - HB3 PRO 35 16.667% * 53.3505% (0.81 2.72 4.45) = 53.350% kept HN SER 124 - HB3 PRO 35 16.667% * 27.0103% (0.82 1.36 0.49) = 27.010% kept HN VAL 125 - HB3 PRO 35 16.667% * 19.2785% (0.79 1.00 0.61) = 19.278% kept HN ALA 42 - HB3 PRO 35 16.667% * 0.2093% (0.11 0.08 0.02) = 0.209% HN THR 46 - HB3 PRO 35 16.667% * 0.0803% (0.17 0.02 0.02) = 0.080% HN VAL 87 - HB3 PRO 35 16.667% * 0.0711% (0.15 0.02 0.02) = 0.071% Peak 3630 (8.47, 3.07, 30.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3631 (8.85, 3.07, 30.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3632 (7.79, 2.86, 34.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3633 (8.82, 2.86, 34.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3634 (8.60, 1.37, 36.77 ppm): 5 chemical-shift based assignments, quality = 0.938, support = 4.16, residual support = 33.6: * O HN LYS+ 20 - HB3 LYS+ 20 20.000% * 98.5113% (0.95 10.0 4.23 34.11) = 98.511% kept HN THR 39 - HB3 LYS+ 20 20.000% * 0.8938% (0.41 1.0 0.43 0.50) = 0.894% HN VAL 80 - HB3 LYS+ 20 20.000% * 0.5493% (0.37 1.0 0.29 0.02) = 0.549% HN VAL 73 - HB3 LYS+ 20 20.000% * 0.0255% (0.25 1.0 0.02 0.02) = 0.025% HN SER 85 - HB3 LYS+ 20 20.000% * 0.0202% (0.20 1.0 0.02 0.02) = 0.020% Peak 3635 (4.96, 1.37, 36.77 ppm): 5 chemical-shift based assignments, quality = 0.775, support = 1.33, residual support = 4.8: HA HIS+ 98 - HB3 LYS+ 20 20.000% * 57.0575% (0.74 1.58 2.61) = 57.057% kept HA MET 97 - HB3 LYS+ 20 20.000% * 41.9362% (0.84 1.03 7.88) = 41.936% kept HA ILE 101 - HB3 LYS+ 20 20.000% * 0.4226% (0.43 0.02 0.02) = 0.423% HA SER 69 - HB3 LYS+ 20 20.000% * 0.3216% (0.33 0.02 0.02) = 0.322% HA ALA 33 - HB3 LYS+ 20 20.000% * 0.2621% (0.27 0.02 0.02) = 0.262% Reference assignment not found: HA PRO 31 - HB3 LYS+ 20 Peak 3636 (3.48, 1.37, 36.77 ppm): 5 chemical-shift based assignments, quality = 0.641, support = 1.16, residual support = 3.31: * T HD3 PRO 31 - HB3 LYS+ 20 20.000% * 89.3186% (0.67 10.00 1.17 3.69) = 89.319% kept HA1 GLY 30 - HB3 LYS+ 20 20.000% * 8.1862% (0.51 1.00 1.40 0.16) = 8.186% kept HA VAL 40 - HB3 LYS+ 20 20.000% * 1.2591% (0.33 1.00 0.33 0.02) = 1.259% kept HA1 GLY 71 - HB3 LYS+ 20 20.000% * 0.8857% (0.81 1.00 0.10 0.02) = 0.886% HA VAL 80 - HB3 LYS+ 20 20.000% * 0.3505% (0.36 1.00 0.08 0.02) = 0.350% Peak 3637 (1.95, 1.37, 36.77 ppm): 14 chemical-shift based assignments, quality = 0.711, support = 0.688, residual support = 1.18: T HB2 PRO 116 - HB3 LYS+ 20 7.143% * 36.9499% (0.55 10.00 0.31 0.31) = 36.950% kept * HG3 PRO 31 - HB3 LYS+ 20 7.143% * 27.3211% (0.96 1.00 1.32 3.69) = 27.321% kept HG3 PRO 116 - HB3 LYS+ 20 7.143% * 12.4179% (0.89 1.00 0.65 0.31) = 12.418% kept HB ILE 29 - HB3 LYS+ 20 7.143% * 7.9570% (0.24 1.00 1.53 0.13) = 7.957% kept T HB3 LYS+ 55 - HB3 LYS+ 20 7.143% * 4.0850% (0.95 10.00 0.02 0.02) = 4.085% kept T HB2 PRO 35 - HB3 LYS+ 20 7.143% * 4.0220% (0.94 10.00 0.02 0.02) = 4.022% kept T HB2 GLU- 75 - HB3 LYS+ 20 7.143% * 3.6150% (0.84 10.00 0.02 0.02) = 3.615% kept HG2 PRO 112 - HB3 LYS+ 20 7.143% * 2.3109% (0.38 1.00 0.28 0.02) = 2.311% kept HB VAL 13 - HB3 LYS+ 20 7.143% * 0.3738% (0.87 1.00 0.02 0.02) = 0.374% HB3 GLU- 109 - HB3 LYS+ 20 7.143% * 0.3337% (0.78 1.00 0.02 0.02) = 0.334% HB2 GLU- 10 - HB3 LYS+ 20 7.143% * 0.2359% (0.55 1.00 0.02 0.02) = 0.236% HB VAL 73 - HB3 LYS+ 20 7.143% * 0.1564% (0.36 1.00 0.02 0.02) = 0.156% HG3 PRO 104 - HB3 LYS+ 20 7.143% * 0.1286% (0.30 1.00 0.02 0.02) = 0.129% HB3 GLU- 56 - HB3 LYS+ 20 7.143% * 0.0928% (0.22 1.00 0.02 0.02) = 0.093% Peak 3639 (1.14, 1.89, 37.09 ppm): 5 chemical-shift based assignments, quality = 0.81, support = 2.38, residual support = 5.24: * QB ALA 33 - HG2 GLU- 18 20.000% * 51.8678% (0.77 3.18 8.16) = 51.868% kept HG3 LYS+ 32 - HG2 GLU- 18 20.000% * 36.0781% (0.93 1.84 2.77) = 36.078% kept QG2 THR 61 - HG2 GLU- 18 20.000% * 7.0757% (0.47 0.71 0.02) = 7.076% kept HD3 LYS+ 111 - HG2 GLU- 18 20.000% * 4.8770% (0.86 0.27 0.02) = 4.877% kept HG3 PRO 59 - HG2 GLU- 18 20.000% * 0.1014% (0.24 0.02 0.02) = 0.101% Peak 3640 (0.84, 1.89, 37.09 ppm): 10 chemical-shift based assignments, quality = 0.667, support = 1.66, residual support = 10.7: QD2 LEU 17 - HG2 GLU- 18 10.000% * 29.0935% (0.43 1.00 3.12 33.06) = 29.093% kept * QG1 VAL 94 - HG2 GLU- 18 10.000% * 28.1839% (0.66 1.00 1.98 3.64) = 28.184% kept T QG1 VAL 13 - HG2 GLU- 18 10.000% * 18.5919% (0.89 10.00 0.10 0.02) = 18.592% kept QG2 VAL 13 - HG2 GLU- 18 10.000% * 17.6792% (0.86 1.00 0.95 0.02) = 17.679% kept T QD1 ILE 29 - HG2 GLU- 18 10.000% * 3.8343% (0.89 10.00 0.02 0.02) = 3.834% kept QG2 ILE 100 - HG2 GLU- 18 10.000% * 1.9138% (0.17 1.00 0.53 0.33) = 1.914% kept HG2 LYS+ 117 - HG2 GLU- 18 10.000% * 0.4154% (0.96 1.00 0.02 0.02) = 0.415% QD2 LEU 90 - HG2 GLU- 18 10.000% * 0.1417% (0.33 1.00 0.02 0.02) = 0.142% QD1 LEU 90 - HG2 GLU- 18 10.000% * 0.0822% (0.19 1.00 0.02 0.02) = 0.082% QD2 LEU 67 - HG2 GLU- 18 10.000% * 0.0641% (0.15 1.00 0.02 0.02) = 0.064% Peak 3641 (0.68, 1.89, 37.09 ppm): 9 chemical-shift based assignments, quality = 0.791, support = 3.01, residual support = 18.7: HG12 ILE 19 - HG2 GLU- 18 11.111% * 38.1895% (0.86 3.66 25.23) = 38.189% kept QD1 ILE 19 - HG2 GLU- 18 11.111% * 33.3086% (0.77 3.58 25.23) = 33.309% kept * QG2 VAL 94 - HG2 GLU- 18 11.111% * 18.4368% (0.84 1.83 3.64) = 18.437% kept QG2 ILE 101 - HG2 GLU- 18 11.111% * 7.5941% (0.64 0.98 0.52) = 7.594% kept QG2 THR 96 - HG2 GLU- 18 11.111% * 1.0674% (0.19 0.46 0.02) = 1.067% kept QG1 VAL 62 - HG2 GLU- 18 11.111% * 0.8909% (0.89 0.08 0.02) = 0.891% QG2 ILE 48 - HG2 GLU- 18 11.111% * 0.2315% (0.96 0.02 0.02) = 0.232% QG2 ILE 68 - HG2 GLU- 18 11.111% * 0.2018% (0.84 0.02 0.02) = 0.202% QG1 VAL 65 - HG2 GLU- 18 11.111% * 0.0793% (0.33 0.02 0.02) = 0.079% Peak 3642 (0.39, 2.13, 36.88 ppm): 2 chemical-shift based assignments, quality = 0.974, support = 2.3, residual support = 9.31: QD1 ILE 48 - HG2 GLU- 45 50.000% * 58.2890% (0.97 2.61 9.31) = 58.289% kept * HG12 ILE 48 - HG2 GLU- 45 50.000% * 41.7110% (0.97 1.87 9.31) = 41.711% kept Peak 3643 (4.23, 2.13, 36.90 ppm): 14 chemical-shift based assignments, quality = 0.748, support = 1.71, residual support = 2.22: T HA GLU- 10 - HG2 GLU- 45 7.143% * 35.7800% (0.83 10.00 1.53 0.85) = 35.780% kept T HB3 SER 49 - HG2 GLU- 45 7.143% * 27.3339% (0.48 10.00 2.46 4.72) = 27.334% kept T HA LYS+ 108 - HG2 GLU- 45 7.143% * 23.5583% (0.83 10.00 1.00 0.59) = 23.558% kept HA SER 49 - HG2 GLU- 45 7.143% * 7.2167% (0.99 1.00 2.59 4.72) = 7.217% kept * HA ALA 42 - HG2 GLU- 45 7.143% * 4.1778% (0.96 1.00 1.54 3.50) = 4.178% kept HA GLU- 109 - HG2 GLU- 45 7.143% * 1.0051% (0.98 1.00 0.37 0.02) = 1.005% kept T HA GLU- 107 - HG2 GLU- 45 7.143% * 0.7405% (0.25 10.00 0.11 0.02) = 0.740% HA GLU- 54 - HG2 GLU- 45 7.143% * 0.0469% (0.83 1.00 0.02 0.02) = 0.047% HA GLU- 12 - HG2 GLU- 45 7.143% * 0.0429% (0.76 1.00 0.02 0.02) = 0.043% HA PRO 59 - HG2 GLU- 45 7.143% * 0.0318% (0.56 1.00 0.02 0.02) = 0.032% HA ALA 11 - HG2 GLU- 45 7.143% * 0.0192% (0.34 1.00 0.02 0.88) = 0.019% HA ASP- 82 - HG2 GLU- 45 7.143% * 0.0173% (0.31 1.00 0.02 0.02) = 0.017% HA ASN 76 - HG2 GLU- 45 7.143% * 0.0156% (0.28 1.00 0.02 0.02) = 0.016% HA ASN 119 - HG2 GLU- 45 7.143% * 0.0140% (0.25 1.00 0.02 0.02) = 0.014% Peak 3644 (4.23, 2.46, 36.90 ppm): 14 chemical-shift based assignments, quality = 0.878, support = 1.22, residual support = 1.67: * T HA ALA 42 - HG3 GLU- 45 7.143% * 27.2545% (0.96 10.00 1.20 3.50) = 27.255% kept T HA GLU- 10 - HG3 GLU- 45 7.143% * 26.7973% (0.83 10.00 1.36 0.85) = 26.797% kept T HA LYS+ 108 - HG3 GLU- 45 7.143% * 23.6380% (0.83 10.00 1.20 0.59) = 23.638% kept T HA GLU- 109 - HG3 GLU- 45 7.143% * 14.0706% (0.98 10.00 0.61 0.02) = 14.071% kept HA SER 49 - HG3 GLU- 45 7.143% * 4.6955% (0.99 1.00 2.01 4.72) = 4.695% kept HB3 SER 49 - HG3 GLU- 45 7.143% * 2.6705% (0.48 1.00 2.33 4.72) = 2.670% kept HA ALA 11 - HG3 GLU- 45 7.143% * 0.2918% (0.34 1.00 0.36 0.88) = 0.292% HA GLU- 12 - HG3 GLU- 45 7.143% * 0.1360% (0.76 1.00 0.08 0.02) = 0.136% T HA ASN 76 - HG3 GLU- 45 7.143% * 0.1308% (0.28 10.00 0.02 0.02) = 0.131% T HA GLU- 107 - HG3 GLU- 45 7.143% * 0.1173% (0.25 10.00 0.02 0.02) = 0.117% T HA ASN 119 - HG3 GLU- 45 7.143% * 0.1173% (0.25 10.00 0.02 0.02) = 0.117% HA GLU- 54 - HG3 GLU- 45 7.143% * 0.0393% (0.83 1.00 0.02 0.02) = 0.039% HA PRO 59 - HG3 GLU- 45 7.143% * 0.0266% (0.56 1.00 0.02 0.02) = 0.027% HA ASP- 82 - HG3 GLU- 45 7.143% * 0.0145% (0.31 1.00 0.02 0.02) = 0.015% Peak 3645 (3.87, 2.46, 36.90 ppm): 9 chemical-shift based assignments, quality = 0.97, support = 4.28, residual support = 73.3: * O HA GLU- 45 - HG3 GLU- 45 11.111% * 99.3359% (0.98 10.0 4.31 73.84) = 99.336% kept HB3 SER 27 - HG3 GLU- 45 11.111% * 0.0978% (0.96 1.0 0.02 0.02) = 0.098% HD3 PRO 35 - HG3 GLU- 45 11.111% * 0.0909% (0.89 1.0 0.02 0.02) = 0.091% HD2 PRO 116 - HG3 GLU- 45 11.111% * 0.0846% (0.83 1.0 0.02 0.02) = 0.085% HA2 GLY 114 - HG3 GLU- 45 11.111% * 0.0811% (0.80 1.0 0.02 0.02) = 0.081% HB3 SER 77 - HG3 GLU- 45 11.111% * 0.0811% (0.80 1.0 0.02 0.02) = 0.081% HB2 SER 85 - HG3 GLU- 45 11.111% * 0.0774% (0.76 1.0 0.02 0.02) = 0.077% HD2 PRO 86 - HG3 GLU- 45 11.111% * 0.0774% (0.76 1.0 0.02 0.02) = 0.077% HB3 SER 88 - HG3 GLU- 45 11.111% * 0.0736% (0.72 1.0 0.02 0.21) = 0.074% Peak 3646 (0.96, 2.46, 36.90 ppm): 7 chemical-shift based assignments, quality = 0.592, support = 0.75, residual support = 0.709: QG2 VAL 99 - HG3 GLU- 45 14.286% * 29.1573% (0.94 0.64 0.58) = 29.157% kept QG2 VAL 73 - HG3 GLU- 45 14.286% * 25.2064% (0.56 0.93 1.63) = 25.206% kept QG2 ILE 29 - HG3 GLU- 45 14.286% * 16.1841% (0.60 0.56 0.15) = 16.184% kept * QG2 VAL 62 - HG3 GLU- 45 14.286% * 10.7368% (0.45 0.50 0.50) = 10.737% kept QG1 VAL 105 - HG3 GLU- 45 14.286% * 10.0080% (0.17 1.19 0.32) = 10.008% kept QG2 VAL 105 - HG3 GLU- 45 14.286% * 6.0650% (0.13 0.93 0.32) = 6.065% kept QD1 LEU 17 - HG3 GLU- 45 14.286% * 2.6425% (0.15 0.36 0.02) = 2.642% kept Peak 3647 (2.12, 2.46, 36.90 ppm): 11 chemical-shift based assignments, quality = 0.956, support = 3.33, residual support = 68.5: * O T HG2 GLU- 45 - HG3 GLU- 45 9.091% * 92.7782% (0.96 10.0 10.00 3.55 73.84) = 92.778% kept HB VAL 105 - HG3 GLU- 45 9.091% * 2.9480% (0.99 1.0 1.00 0.61 0.32) = 2.948% kept HB3 GLU- 75 - HG3 GLU- 45 9.091% * 2.5994% (0.88 1.0 1.00 0.61 0.11) = 2.599% kept HG2 PRO 112 - HG3 GLU- 45 9.091% * 1.3053% (0.88 1.0 1.00 0.31 0.28) = 1.305% kept HB2 GLU- 56 - HG3 GLU- 45 9.091% * 0.0862% (0.89 1.0 1.00 0.02 0.02) = 0.086% HB VAL 87 - HG3 GLU- 45 9.091% * 0.0834% (0.86 1.0 1.00 0.02 1.57) = 0.083% HB2 ASP- 28 - HG3 GLU- 45 9.091% * 0.0698% (0.72 1.0 1.00 0.02 0.02) = 0.070% HB3 LEU 43 - HG3 GLU- 45 9.091% * 0.0622% (0.64 1.0 1.00 0.02 0.02) = 0.062% HB3 LYS+ 78 - HG3 GLU- 45 9.091% * 0.0267% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB VAL 65 - HG3 GLU- 45 9.091% * 0.0240% (0.25 1.0 1.00 0.02 0.02) = 0.024% HB VAL 47 - HG3 GLU- 45 9.091% * 0.0168% (0.17 1.0 1.00 0.02 0.19) = 0.017% Peak 3648 (2.46, 2.46, 36.90 ppm): 1 diagonal assignment: * HG3 GLU- 45 - HG3 GLU- 45 (0.99) kept Peak 3649 (2.13, 2.13, 36.97 ppm): 1 diagonal assignment: * HG2 GLU- 45 - HG2 GLU- 45 (0.92) kept Peak 3650 (4.93, 2.21, 36.97 ppm): 6 chemical-shift based assignments, quality = 0.532, support = 1.68, residual support = 6.28: HA ALA 33 - HG3 GLU- 18 16.667% * 75.4341% (0.58 1.95 8.16) = 75.434% kept HA ILE 101 - HG3 GLU- 18 16.667% * 23.7400% (0.41 0.87 0.52) = 23.740% kept HA ALA 33 - HG3 GLU- 109 16.667% * 0.2832% (0.21 0.02 0.02) = 0.283% HA HIS+ 98 - HG3 GLU- 18 16.667% * 0.2503% (0.19 0.02 0.02) = 0.250% HA ILE 101 - HG3 GLU- 109 16.667% * 0.2007% (0.15 0.02 0.02) = 0.201% HA HIS+ 98 - HG3 GLU- 109 16.667% * 0.0918% (0.07 0.02 0.02) = 0.092% Peak 3651 (4.47, 2.21, 36.97 ppm): 16 chemical-shift based assignments, quality = 0.7, support = 1.24, residual support = 1.59: * HA LYS+ 32 - HG3 GLU- 18 6.250% * 47.4431% (0.61 1.87 2.77) = 47.443% kept HA GLN 102 - HG3 GLU- 18 6.250% * 26.6160% (0.83 0.77 0.77) = 26.616% kept HA ILE 100 - HG3 GLU- 18 6.250% * 22.7262% (0.83 0.66 0.33) = 22.726% kept HA MET 126 - HG3 GLU- 18 6.250% * 0.6251% (0.75 0.02 0.02) = 0.625% HA GLU- 50 - HG3 GLU- 18 6.250% * 0.5062% (0.61 0.02 0.02) = 0.506% HA MET 118 - HG3 GLU- 18 6.250% * 0.3667% (0.44 0.02 0.02) = 0.367% HA GLN 102 - HG3 GLU- 109 6.250% * 0.2533% (0.31 0.02 0.02) = 0.253% HA ILE 100 - HG3 GLU- 109 6.250% * 0.2533% (0.31 0.02 0.02) = 0.253% HA MET 126 - HG3 GLU- 109 6.250% * 0.2292% (0.28 0.02 0.02) = 0.229% HA GLU- 50 - HG3 GLU- 109 6.250% * 0.1856% (0.22 0.02 0.02) = 0.186% HA LYS+ 32 - HG3 GLU- 109 6.250% * 0.1856% (0.22 0.02 0.02) = 0.186% HA CYS 123 - HG3 GLU- 18 6.250% * 0.1738% (0.21 0.02 0.02) = 0.174% HA SER 77 - HG3 GLU- 18 6.250% * 0.1738% (0.21 0.02 0.02) = 0.174% HA MET 118 - HG3 GLU- 109 6.250% * 0.1345% (0.16 0.02 0.02) = 0.134% HA SER 77 - HG3 GLU- 109 6.250% * 0.0637% (0.08 0.02 0.02) = 0.064% HA CYS 123 - HG3 GLU- 109 6.250% * 0.0637% (0.08 0.02 0.02) = 0.064% Peak 3652 (4.93, 1.89, 37.06 ppm): 3 chemical-shift based assignments, quality = 0.617, support = 1.73, residual support = 6.21: HA ALA 33 - HG2 GLU- 18 33.333% * 74.6217% (0.67 2.04 8.16) = 74.622% kept HA ILE 101 - HG2 GLU- 18 33.333% * 22.8562% (0.48 0.88 0.52) = 22.856% kept HA HIS+ 98 - HG2 GLU- 18 33.333% * 2.5221% (0.22 0.21 0.02) = 2.522% kept Peak 3653 (4.46, 1.89, 37.06 ppm): 8 chemical-shift based assignments, quality = 0.666, support = 1.2, residual support = 1.3: * HA LYS+ 32 - HG2 GLU- 18 12.500% * 34.9451% (0.44 1.99 2.77) = 34.945% kept HA GLN 102 - HG2 GLU- 18 12.500% * 34.1578% (0.82 1.04 0.77) = 34.158% kept HA ILE 100 - HG2 GLU- 18 12.500% * 21.1103% (0.82 0.64 0.33) = 21.110% kept HA MET 126 - HG2 GLU- 18 12.500% * 6.0911% (0.63 0.24 0.02) = 6.091% kept HA MET 118 - HG2 GLU- 18 12.500% * 2.6961% (0.78 0.09 0.02) = 2.696% kept HA GLU- 50 - HG2 GLU- 18 12.500% * 0.7415% (0.93 0.02 0.02) = 0.741% HB THR 24 - HG2 GLU- 18 12.500% * 0.1373% (0.17 0.02 0.02) = 0.137% HA LYS+ 111 - HG2 GLU- 18 12.500% * 0.1209% (0.15 0.02 0.02) = 0.121% Peak 3654 (1.28, 1.59, 36.44 ppm): 6 chemical-shift based assignments, quality = 0.91, support = 3.29, residual support = 36.4: * O T HG2 LYS+ 32 - HB3 LYS+ 32 16.667% * 95.7394% (0.92 10.0 10.00 3.42 37.97) = 95.739% kept HG13 ILE 101 - HB3 LYS+ 32 16.667% * 2.3989% (0.92 1.0 1.00 0.50 1.04) = 2.399% kept T HG2 LYS+ 81 - HB3 LYS+ 32 16.667% * 1.0009% (0.96 1.0 10.00 0.02 0.02) = 1.001% kept HB2 LYS+ 55 - HB3 LYS+ 32 16.667% * 0.7315% (0.48 1.0 1.00 0.29 1.22) = 0.731% HB3 LEU 74 - HB3 LYS+ 32 16.667% * 0.1035% (0.99 1.0 1.00 0.02 0.57) = 0.103% QB ALA 103 - HB3 LYS+ 32 16.667% * 0.0259% (0.25 1.0 1.00 0.02 0.02) = 0.026% Peak 3655 (1.13, 1.59, 36.44 ppm): 5 chemical-shift based assignments, quality = 0.933, support = 3.15, residual support = 36.0: * O HG3 LYS+ 32 - HB3 LYS+ 32 20.000% * 90.9909% (0.97 10.0 3.11 37.97) = 90.991% kept QB ALA 33 - HB3 LYS+ 32 20.000% * 8.8291% (0.52 1.0 3.62 17.00) = 8.829% kept HD3 LYS+ 111 - HB3 LYS+ 32 20.000% * 0.0928% (0.99 1.0 0.02 0.02) = 0.093% QG2 THR 61 - HB3 LYS+ 32 20.000% * 0.0709% (0.76 1.0 0.02 0.40) = 0.071% QG2 THR 79 - HB3 LYS+ 32 20.000% * 0.0163% (0.17 1.0 0.02 0.02) = 0.016% Peak 3656 (4.71, 2.05, 35.94 ppm): 12 chemical-shift based assignments, quality = 0.341, support = 0.761, residual support = 2.91: HA2 GLY 30 - HB3 PRO 31 8.333% * 38.1683% (0.37 0.98 5.90) = 38.168% kept HA THR 61 - HB3 PRO 31 8.333% * 33.6004% (0.35 0.91 0.30) = 33.600% kept HA LYS+ 20 - HB3 PRO 31 8.333% * 12.2093% (0.31 0.38 3.69) = 12.209% kept HA THR 39 - HB3 PRO 31 8.333% * 9.4585% (0.37 0.24 0.02) = 9.458% kept HA VAL 99 - HB ILE 101 8.333% * 3.7094% (0.15 0.24 2.72) = 3.709% kept HA VAL 99 - HB3 PRO 31 8.333% * 0.6489% (0.31 0.02 0.02) = 0.649% HA GLN 16 - HB3 PRO 31 8.333% * 0.5336% (0.26 0.02 0.02) = 0.534% HA THR 39 - HB ILE 101 8.333% * 0.3737% (0.18 0.02 0.02) = 0.374% HA2 GLY 30 - HB ILE 101 8.333% * 0.3737% (0.18 0.02 0.02) = 0.374% HA THR 61 - HB ILE 101 8.333% * 0.3543% (0.17 0.02 0.02) = 0.354% HA LYS+ 20 - HB ILE 101 8.333% * 0.3128% (0.15 0.02 0.02) = 0.313% HA GLN 16 - HB ILE 101 8.333% * 0.2572% (0.12 0.02 0.02) = 0.257% Peak 3657 (4.47, 2.05, 35.94 ppm): 18 chemical-shift based assignments, quality = 0.215, support = 3.21, residual support = 16.6: HA ILE 100 - HB ILE 101 5.556% * 40.3240% (0.17 4.44 19.24) = 40.324% kept HA GLN 102 - HB ILE 101 5.556% * 30.7246% (0.17 3.38 25.72) = 30.725% kept HA LYS+ 32 - HB3 PRO 31 5.556% * 26.3637% (0.35 1.46 3.55) = 26.364% kept HA MET 126 - HB3 PRO 31 5.556% * 0.3900% (0.37 0.02 0.02) = 0.390% HA ILE 100 - HB3 PRO 31 5.556% * 0.3772% (0.36 0.02 0.02) = 0.377% HA GLN 102 - HB3 PRO 31 5.556% * 0.3772% (0.36 0.02 0.02) = 0.377% HA GLU- 50 - HB3 PRO 31 5.556% * 0.1902% (0.18 0.02 0.02) = 0.190% HA MET 126 - HB ILE 101 5.556% * 0.1880% (0.18 0.02 0.02) = 0.188% HA CYS 123 - HB3 PRO 31 5.556% * 0.1752% (0.17 0.02 0.02) = 0.175% HA SER 77 - HB3 PRO 31 5.556% * 0.1752% (0.17 0.02 0.02) = 0.175% HA LYS+ 32 - HB ILE 101 5.556% * 0.1739% (0.17 0.02 1.04) = 0.174% HA MET 118 - HB3 PRO 31 5.556% * 0.1206% (0.12 0.02 0.02) = 0.121% HA GLU- 50 - HB ILE 101 5.556% * 0.0917% (0.09 0.02 0.02) = 0.092% HA CYS 123 - HB ILE 101 5.556% * 0.0845% (0.08 0.02 0.02) = 0.084% HA SER 77 - HB ILE 101 5.556% * 0.0845% (0.08 0.02 0.02) = 0.084% HB THR 79 - HB3 PRO 31 5.556% * 0.0684% (0.07 0.02 0.02) = 0.068% HA MET 118 - HB ILE 101 5.556% * 0.0581% (0.06 0.02 0.02) = 0.058% HB THR 79 - HB ILE 101 5.556% * 0.0330% (0.03 0.02 0.02) = 0.033% Peak 3658 (3.53, 2.05, 35.94 ppm): 6 chemical-shift based assignments, quality = 0.34, support = 0.37, residual support = 0.866: HA LYS+ 44 - HB3 PRO 31 16.667% * 88.3447% (0.35 0.42 0.98) = 88.345% kept HA1 GLY 26 - HB3 PRO 31 16.667% * 4.4742% (0.37 0.02 0.02) = 4.474% kept HA1 GLY 26 - HB ILE 101 16.667% * 2.1568% (0.18 0.02 0.02) = 2.157% kept HA LYS+ 44 - HB ILE 101 16.667% * 2.0448% (0.17 0.02 0.02) = 2.045% kept HB2 SER 69 - HB3 PRO 31 16.667% * 2.0104% (0.17 0.02 0.02) = 2.010% kept HB2 SER 69 - HB ILE 101 16.667% * 0.9691% (0.08 0.02 0.02) = 0.969% Peak 3659 (4.73, 1.96, 35.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3660 (3.49, 1.96, 35.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3661 (1.78, 1.96, 35.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3662 (1.78, 2.04, 35.72 ppm): 10 chemical-shift based assignments, quality = 0.169, support = 3.54, residual support = 34.4: O HG2 PRO 31 - HB3 PRO 31 10.000% * 98.3620% (0.17 10.0 1.00 3.60 34.96) = 98.362% kept T HB3 GLU- 18 - HB3 PRO 31 10.000% * 1.0375% (0.18 1.0 10.00 0.02 0.02) = 1.038% kept HG3 ARG+ 53 - HB3 PRO 31 10.000% * 0.1087% (0.19 1.0 1.00 0.02 0.02) = 0.109% HB2 ARG+ 84 - HB3 PRO 31 10.000% * 0.1075% (0.19 1.0 1.00 0.02 0.02) = 0.108% HG2 ARG+ 84 - HB3 PRO 31 10.000% * 0.1058% (0.18 1.0 1.00 0.02 0.02) = 0.106% HG3 LYS+ 63 - HB3 PRO 31 10.000% * 0.1012% (0.17 1.0 1.00 0.02 0.02) = 0.101% HB3 LYS+ 108 - HB3 PRO 31 10.000% * 0.0577% (0.10 1.0 1.00 0.02 0.02) = 0.058% HB3 LYS+ 63 - HB3 PRO 31 10.000% * 0.0577% (0.10 1.0 1.00 0.02 0.02) = 0.058% HD3 PRO 59 - HB3 PRO 31 10.000% * 0.0374% (0.06 1.0 1.00 0.02 0.02) = 0.037% HB2 LEU 17 - HB3 PRO 31 10.000% * 0.0244% (0.04 1.0 1.00 0.02 0.11) = 0.024% Peak 3663 (1.36, 2.04, 35.72 ppm): 7 chemical-shift based assignments, quality = 0.178, support = 1.74, residual support = 2.1: HB3 LYS+ 20 - HB3 PRO 31 14.286% * 56.3287% (0.18 2.69 3.69) = 56.329% kept HB3 LEU 17 - HB3 PRO 31 14.286% * 12.6985% (0.19 0.59 0.11) = 12.698% kept QB ALA 11 - HB3 PRO 31 14.286% * 12.0390% (0.18 0.59 0.02) = 12.039% kept HG3 LYS+ 81 - HB3 PRO 31 14.286% * 11.7417% (0.18 0.56 0.02) = 11.742% kept HG2 LYS+ 78 - HB3 PRO 31 14.286% * 3.8810% (0.13 0.26 0.02) = 3.881% kept QG2 THR 39 - HB3 PRO 31 14.286% * 3.1771% (0.09 0.30 0.02) = 3.177% kept HG13 ILE 68 - HB3 PRO 31 14.286% * 0.1341% (0.06 0.02 0.02) = 0.134% Not enough quality. Peak unassigned. Peak 3664 (1.36, 1.96, 35.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3665 (0.69, 1.96, 35.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3666 (0.70, 2.04, 35.72 ppm): 10 chemical-shift based assignments, quality = 0.173, support = 0.77, residual support = 0.265: QG2 ILE 101 - HB3 PRO 31 10.000% * 74.7104% (0.19 1.00 0.35) = 74.710% kept QD1 ILE 19 - HB3 PRO 31 10.000% * 6.3273% (0.15 0.11 0.02) = 6.327% kept HG12 ILE 19 - HB3 PRO 31 10.000% * 5.4278% (0.13 0.11 0.02) = 5.428% kept QG2 ILE 68 - HB3 PRO 31 10.000% * 4.1929% (0.14 0.08 0.02) = 4.193% kept QG1 VAL 62 - HB3 PRO 31 10.000% * 3.3468% (0.04 0.20 0.02) = 3.347% kept QG1 VAL 65 - HB3 PRO 31 10.000% * 1.4912% (0.19 0.02 0.02) = 1.491% kept QG2 ILE 48 - HB3 PRO 31 10.000% * 1.4432% (0.18 0.02 0.02) = 1.443% kept QG2 THR 96 - HB3 PRO 31 10.000% * 1.3493% (0.17 0.02 0.02) = 1.349% kept QG2 VAL 94 - HB3 PRO 31 10.000% * 1.0925% (0.14 0.02 0.02) = 1.093% kept HG LEU 74 - HB3 PRO 31 10.000% * 0.6185% (0.08 0.02 0.02) = 0.619% Not enough quality. Peak unassigned. Peak 3667 (4.25, 2.87, 38.31 ppm): 19 chemical-shift based assignments, quality = 0.277, support = 1.03, residual support = 0.802: * O HA ASN 76 - HB3 ASN 76 5.263% * 88.5638% (0.29 10.0 1.00 0.90) = 88.564% kept HA GLU- 75 - HB3 ASN 76 5.263% * 9.5924% (0.21 1.0 1.52 0.02) = 9.592% kept HA ALA 11 - HB3 ASN 76 5.263% * 0.1819% (0.30 1.0 0.02 0.02) = 0.182% HA PRO 59 - HB3 ASN 76 5.263% * 0.1771% (0.29 1.0 0.02 0.46) = 0.177% HA GLU- 107 - HB3 ASN 76 5.263% * 0.1736% (0.28 1.0 0.02 0.02) = 0.174% HA ASN 119 - HB3 ASN 76 5.263% * 0.1736% (0.28 1.0 0.02 0.02) = 0.174% HA GLU- 10 - HB3 ASN 76 5.263% * 0.1403% (0.23 1.0 0.02 0.02) = 0.140% HA LYS+ 108 - HB3 ASN 76 5.263% * 0.1403% (0.23 1.0 0.02 0.02) = 0.140% HA GLU- 54 - HB3 ASN 76 5.263% * 0.1403% (0.23 1.0 0.02 0.02) = 0.140% HA GLU- 64 - HB3 ASN 76 5.263% * 0.1187% (0.19 1.0 0.02 0.02) = 0.119% HA ALA 42 - HB3 ASN 76 5.263% * 0.1039% (0.17 1.0 0.02 0.02) = 0.104% HA SER 49 - HB3 ASN 76 5.263% * 0.0893% (0.15 1.0 0.02 0.02) = 0.089% HA GLU- 56 - HB3 ASN 76 5.263% * 0.0893% (0.15 1.0 0.02 0.02) = 0.089% HB3 SER 49 - HB3 ASN 76 5.263% * 0.0599% (0.10 1.0 0.02 0.02) = 0.060% HA GLU- 109 - HB3 ASN 76 5.263% * 0.0566% (0.09 1.0 0.02 0.02) = 0.057% HA PRO 52 - HB3 ASN 76 5.263% * 0.0510% (0.08 1.0 0.02 0.02) = 0.051% HA ARG+ 84 - HB3 ASN 76 5.263% * 0.0510% (0.08 1.0 0.02 0.02) = 0.051% HA SER 85 - HB3 ASN 76 5.263% * 0.0510% (0.08 1.0 0.02 0.02) = 0.051% HA VAL 94 - HB3 ASN 76 5.263% * 0.0458% (0.08 1.0 0.02 0.02) = 0.046% Peak 3668 (3.81, 2.87, 38.31 ppm): 6 chemical-shift based assignments, quality = 0.251, support = 0.02, residual support = 0.02: HB3 SER 41 - HB3 ASN 76 16.667% * 22.3742% (0.29 0.02 0.02) = 22.374% kept HD3 PRO 86 - HB3 ASN 76 16.667% * 20.4712% (0.27 0.02 0.02) = 20.471% kept HD3 PRO 112 - HB3 ASN 76 16.667% * 19.8001% (0.26 0.02 0.02) = 19.800% kept HD3 PRO 116 - HB3 ASN 76 16.667% * 19.0661% (0.25 0.02 0.02) = 19.066% kept HA2 GLY 92 - HB3 ASN 76 16.667% * 14.7664% (0.19 0.02 0.02) = 14.766% kept HA LYS+ 117 - HB3 ASN 76 16.667% * 3.5220% (0.05 0.02 0.02) = 3.522% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 3669 (4.75, 2.87, 38.31 ppm): 1 chemical-shift based assignment, quality = 0.0836, support = 0.02, residual support = 0.02: HA LYS+ 20 - HB3 ASN 76 100.000% *100.0000% (0.08 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 3670 (2.87, 2.87, 38.31 ppm): 1 diagonal assignment: * HB3 ASN 76 - HB3 ASN 76 (0.04) kept Peak 3671 (4.65, 2.33, 39.07 ppm): 4 chemical-shift based assignments, quality = 0.178, support = 3.46, residual support = 65.8: * O HA TYR 83 - HB2 TYR 83 25.000% * 99.2893% (0.18 10.0 3.48 66.25) = 99.289% kept HA ASN 89 - HB2 TYR 83 25.000% * 0.3491% (0.10 1.0 0.13 0.02) = 0.349% HA LYS+ 120 - HB2 TYR 83 25.000% * 0.2095% (0.38 1.0 0.02 0.02) = 0.209% HA PRO 35 - HB2 TYR 83 25.000% * 0.1521% (0.27 1.0 0.02 0.02) = 0.152% Peak 3672 (4.65, 3.35, 39.08 ppm): 4 chemical-shift based assignments, quality = 0.177, support = 3.46, residual support = 65.8: * O HA TYR 83 - HB3 TYR 83 25.000% * 99.2893% (0.18 10.0 3.48 66.25) = 99.289% kept HA ASN 89 - HB3 TYR 83 25.000% * 0.3491% (0.10 1.0 0.13 0.02) = 0.349% HA LYS+ 120 - HB3 TYR 83 25.000% * 0.2095% (0.38 1.0 0.02 0.02) = 0.209% HA PRO 35 - HB3 TYR 83 25.000% * 0.1521% (0.27 1.0 0.02 0.02) = 0.152% Peak 3673 (3.87, 1.74, 38.63 ppm): 9 chemical-shift based assignments, quality = 0.582, support = 1.56, residual support = 3.08: * HA GLU- 45 - HB ILE 48 11.111% * 27.1134% (0.66 2.25 9.31) = 27.113% kept HB2 SER 85 - HB ILE 48 11.111% * 21.5523% (0.52 2.30 1.66) = 21.552% kept HA2 GLY 114 - HB ILE 48 11.111% * 14.7261% (0.54 1.50 0.79) = 14.726% kept HB3 SER 27 - HB ILE 48 11.111% * 9.3090% (0.65 0.79 0.25) = 9.309% kept HD3 PRO 35 - HB ILE 48 11.111% * 8.3743% (0.61 0.76 0.32) = 8.374% kept HD2 PRO 86 - HB ILE 48 11.111% * 6.8639% (0.52 0.73 0.49) = 6.864% kept HD2 PRO 116 - HB ILE 48 11.111% * 5.2954% (0.56 0.52 0.02) = 5.295% kept HB3 SER 77 - HB ILE 48 11.111% * 3.6035% (0.54 0.37 0.02) = 3.603% kept HB3 SER 88 - HB ILE 48 11.111% * 3.1620% (0.49 0.35 0.02) = 3.162% kept Peak 3674 (3.43, 1.74, 38.63 ppm): 4 chemical-shift based assignments, quality = 0.64, support = 5.93, residual support = 141.6: * O T HA ILE 48 - HB ILE 48 25.000% * 94.7784% (0.65 10.0 10.00 6.19 148.88) = 94.778% kept HA VAL 62 - HB ILE 48 25.000% * 4.7898% (0.46 1.0 1.00 1.42 9.49) = 4.790% kept HA VAL 40 - HB ILE 48 25.000% * 0.4099% (0.17 1.0 1.00 0.33 0.02) = 0.410% HA VAL 80 - HB ILE 48 25.000% * 0.0219% (0.15 1.0 1.00 0.02 0.02) = 0.022% Peak 3675 (0.39, 1.74, 38.76 ppm): 2 chemical-shift based assignments, quality = 0.773, support = 5.54, residual support = 148.9: O T QD1 ILE 48 - HB ILE 48 50.000% * 50.0000% (0.77 10.0 10.00 5.84 148.88) = 50.000% kept * O HG12 ILE 48 - HB ILE 48 50.000% * 50.0000% (0.77 10.0 1.00 5.25 148.88) = 50.000% kept Peak 3676 (7.07, 3.35, 39.09 ppm): 2 chemical-shift based assignments, quality = 0.304, support = 3.49, residual support = 66.2: * O T QD TYR 83 - HB3 TYR 83 50.000% * 99.9745% (0.30 10.0 10.00 3.49 66.25) = 99.975% kept QE PHE 21 - HB3 TYR 83 50.000% * 0.0255% (0.08 1.0 1.00 0.02 0.02) = 0.025% Peak 3677 (7.68, 3.35, 39.09 ppm): 1 chemical-shift based assignment, quality = 0.304, support = 4.66, residual support = 66.2: * O HN TYR 83 - HB3 TYR 83 100.000% *100.0000% (0.30 10.0 4.66 66.25) = 100.000% kept Peak 3678 (7.68, 2.33, 39.09 ppm): 1 chemical-shift based assignment, quality = 0.304, support = 4.66, residual support = 66.2: * O HN TYR 83 - HB2 TYR 83 100.000% *100.0000% (0.30 10.0 4.66 66.25) = 100.000% kept Peak 3679 (6.89, 2.74, 39.91 ppm): 3 chemical-shift based assignments, quality = 0.246, support = 4.12, residual support = 49.7: * O QD PHE 21 - HB3 PHE 21 33.333% * 99.8233% (0.25 10.0 4.12 49.74) = 99.823% kept HD21 ASN 119 - HB3 PHE 21 33.333% * 0.0883% (0.22 1.0 0.02 0.59) = 0.088% HD22 ASN 15 - HB3 PHE 21 33.333% * 0.0883% (0.22 1.0 0.02 0.02) = 0.088% Peak 3680 (8.97, 2.74, 39.91 ppm): 6 chemical-shift based assignments, quality = 0.103, support = 3.25, residual support = 29.4: * O HN PHE 21 - HB3 PHE 21 16.667% * 49.4049% (0.04 10.0 4.41 49.74) = 49.405% kept HN MET 97 - HB3 PHE 21 16.667% * 20.9262% (0.22 1.0 1.51 1.80) = 20.926% kept HN ARG+ 22 - HB3 PHE 21 16.667% * 17.7099% (0.07 1.0 3.98 20.17) = 17.710% kept HN ILE 19 - HB3 PHE 21 16.667% * 8.3242% (0.25 1.0 0.52 10.00) = 8.324% kept HN LEU 17 - HB3 PHE 21 16.667% * 2.9841% (0.17 1.0 0.27 0.84) = 2.984% kept HN THR 96 - HB3 PHE 21 16.667% * 0.6508% (0.06 1.0 0.18 0.02) = 0.651% Peak 3681 (6.89, 2.97, 39.90 ppm): 3 chemical-shift based assignments, quality = 0.322, support = 3.64, residual support = 48.1: * O QD PHE 21 - HB2 PHE 21 33.333% * 96.7052% (0.32 10.0 3.74 49.74) = 96.705% kept HD21 ASN 119 - HB2 PHE 21 33.333% * 3.2092% (0.29 1.0 0.75 0.59) = 3.209% kept HD22 ASN 15 - HB2 PHE 21 33.333% * 0.0856% (0.29 1.0 0.02 0.02) = 0.086% Peak 3682 (8.98, 2.97, 39.90 ppm): 3 chemical-shift based assignments, quality = 0.171, support = 1.05, residual support = 4.94: HN MET 97 - HB2 PHE 21 33.333% * 55.0748% (0.12 1.51 1.80) = 55.075% kept HN ILE 19 - HB2 PHE 21 33.333% * 39.0419% (0.25 0.52 10.00) = 39.042% kept HN LEU 17 - HB2 PHE 21 33.333% * 5.8833% (0.07 0.27 0.84) = 5.883% kept Reference assignment not found: HN PHE 21 - HB2 PHE 21 Peak 3683 (7.63, 2.62, 40.25 ppm): 3 chemical-shift based assignments, quality = 0.482, support = 3.06, residual support = 21.8: * O HN ASP- 25 - HB2 ASP- 25 33.333% * 91.1794% (0.45 10.0 3.31 23.93) = 91.179% kept HD21 ASN 57 - HB2 ASP- 25 33.333% * 5.5361% (0.87 1.0 0.63 0.02) = 5.536% kept HD21 ASN 89 - HB2 ASP- 25 33.333% * 3.2845% (0.76 1.0 0.42 0.02) = 3.285% kept Peak 3684 (3.11, 2.62, 40.25 ppm): 5 chemical-shift based assignments, quality = 0.921, support = 2.0, residual support = 23.9: * O T HB3 ASP- 25 - HB2 ASP- 25 20.000% * 99.7752% (0.92 10.0 10.00 2.00 23.93) = 99.775% kept HE3 LYS+ 72 - HB2 ASP- 25 20.000% * 0.0656% (0.61 1.0 1.00 0.02 0.02) = 0.066% HE3 LYS+ 117 - HB2 ASP- 25 20.000% * 0.0612% (0.57 1.0 1.00 0.02 0.02) = 0.061% HE3 LYS+ 108 - HB2 ASP- 25 20.000% * 0.0612% (0.57 1.0 1.00 0.02 0.02) = 0.061% HA VAL 47 - HB2 ASP- 25 20.000% * 0.0369% (0.34 1.0 1.00 0.02 0.02) = 0.037% Peak 3685 (2.63, 2.62, 40.25 ppm): 1 diagonal assignment: * HB2 ASP- 25 - HB2 ASP- 25 (0.97) kept Peak 3686 (3.11, 3.10, 40.14 ppm): 1 diagonal assignment: * HB3 ASP- 25 - HB3 ASP- 25 (0.78) kept Peak 3687 (7.64, 3.10, 40.11 ppm): 3 chemical-shift based assignments, quality = 0.558, support = 0.02, residual support = 0.0409: HD21 ASN 89 - HB3 ASP- 25 33.333% * 60.1709% (0.75 0.02 0.02) = 60.171% kept HD21 ASN 57 - HB3 ASP- 25 33.333% * 24.7920% (0.31 0.02 0.02) = 24.792% kept HN TYR 83 - HB3 ASP- 25 33.333% * 15.0371% (0.19 0.02 0.16) = 15.037% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 3688 (8.89, 2.64, 40.90 ppm): 6 chemical-shift based assignments, quality = 0.526, support = 3.72, residual support = 20.1: * O HN ASP- 36 - HB3 ASP- 36 16.667% * 99.8207% (0.53 10.0 3.73 20.13) = 99.821% kept HN GLN 102 - HB3 ASP- 36 16.667% * 0.0944% (0.50 1.0 0.02 0.02) = 0.094% HN ASP- 36 - HB3 ASP- 82 16.667% * 0.0295% (0.16 1.0 0.02 0.02) = 0.029% HN GLN 102 - HB3 ASP- 82 16.667% * 0.0279% (0.15 1.0 0.02 0.02) = 0.028% HN ILE 68 - HB3 ASP- 36 16.667% * 0.0212% (0.11 1.0 0.02 0.69) = 0.021% HN ILE 68 - HB3 ASP- 82 16.667% * 0.0063% (0.03 1.0 0.02 0.02) = 0.006% Peak 3689 (8.89, 2.53, 40.90 ppm): 3 chemical-shift based assignments, quality = 0.64, support = 3.93, residual support = 20.1: * O HN ASP- 36 - HB2 ASP- 36 33.333% * 99.8843% (0.64 10.0 3.93 20.13) = 99.884% kept HN GLN 102 - HB2 ASP- 36 33.333% * 0.0945% (0.61 1.0 0.02 0.02) = 0.094% HN ILE 68 - HB2 ASP- 36 33.333% * 0.0212% (0.14 1.0 0.02 0.69) = 0.021% Peak 3690 (7.75, 2.53, 40.90 ppm): 4 chemical-shift based assignments, quality = 0.706, support = 3.23, residual support = 15.6: * HN ALA 37 - HB2 ASP- 36 25.000% * 72.1976% (0.71 4.17 21.57) = 72.198% kept HN VAL 125 - HB2 ASP- 36 25.000% * 15.1521% (0.74 0.84 0.21) = 15.152% kept HN SER 124 - HB2 ASP- 36 25.000% * 12.4053% (0.67 0.75 0.24) = 12.405% kept HN ALA 42 - HB2 ASP- 36 25.000% * 0.2451% (0.50 0.02 0.02) = 0.245% Peak 3691 (7.75, 2.64, 40.90 ppm): 8 chemical-shift based assignments, quality = 0.577, support = 2.22, residual support = 14.2: * HN ALA 37 - HB3 ASP- 36 12.500% * 65.2893% (0.58 2.99 21.57) = 65.289% kept HN VAL 125 - HB3 ASP- 36 12.500% * 18.6182% (0.61 0.82 0.21) = 18.618% kept HN SER 124 - HB3 ASP- 36 12.500% * 15.3058% (0.55 0.73 0.24) = 15.306% kept HN ALA 42 - HB3 ASP- 36 12.500% * 0.3088% (0.41 0.02 0.02) = 0.309% HN VAL 125 - HB3 ASP- 82 12.500% * 0.1345% (0.18 0.02 0.02) = 0.135% HN ALA 37 - HB3 ASP- 82 12.500% * 0.1290% (0.17 0.02 0.02) = 0.129% HN SER 124 - HB3 ASP- 82 12.500% * 0.1231% (0.16 0.02 0.02) = 0.123% HN ALA 42 - HB3 ASP- 82 12.500% * 0.0912% (0.12 0.02 0.02) = 0.091% Peak 3692 (8.96, 1.92, 41.19 ppm): 12 chemical-shift based assignments, quality = 0.526, support = 3.54, residual support = 25.2: HN ARG+ 22 - HB ILE 29 8.333% * 43.1544% (0.69 3.62 20.80) = 43.154% kept * HN PHE 21 - HB ILE 29 8.333% * 32.1067% (0.51 3.63 30.76) = 32.107% kept HN ARG+ 22 - HB2 LEU 23 8.333% * 13.8864% (0.16 4.95 40.42) = 13.886% kept HN PHE 21 - HB2 LEU 23 8.333% * 4.9673% (0.12 2.39 3.50) = 4.967% kept HN LEU 17 - HB ILE 29 8.333% * 3.0675% (0.90 0.20 17.08) = 3.068% kept HN MET 97 - HB ILE 29 8.333% * 1.1792% (0.85 0.08 0.02) = 1.179% kept HN MET 97 - HB2 LEU 23 8.333% * 0.8232% (0.20 0.24 0.02) = 0.823% HN LEU 17 - HB2 LEU 23 8.333% * 0.3166% (0.21 0.09 0.13) = 0.317% HN THR 96 - HB ILE 29 8.333% * 0.2145% (0.62 0.02 0.02) = 0.214% HN ILE 19 - HB ILE 29 8.333% * 0.1894% (0.55 0.02 0.02) = 0.189% HN THR 96 - HB2 LEU 23 8.333% * 0.0504% (0.15 0.02 0.02) = 0.050% HN ILE 19 - HB2 LEU 23 8.333% * 0.0445% (0.13 0.02 0.02) = 0.045% Peak 3695 (7.97, 1.17, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.63, support = 6.29, residual support = 176.8: * O HN LEU 43 - HB2 LEU 43 25.000% * 98.3107% (0.63 10.0 6.39 179.85) = 98.311% kept HN LEU 43 - HB2 LEU 74 25.000% * 1.5083% (0.61 1.0 0.32 1.31) = 1.508% kept HN LYS+ 72 - HB2 LEU 43 25.000% * 0.0922% (0.59 1.0 0.02 0.02) = 0.092% HN LYS+ 72 - HB2 LEU 74 25.000% * 0.0888% (0.57 1.0 0.02 0.37) = 0.089% Peak 3696 (7.01, 1.17, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.15, support = 2.11, residual support = 22.9: * T QE PHE 21 - HB2 LEU 43 50.000% * 99.9037% (0.15 10.00 2.11 22.91) = 99.904% kept QE PHE 21 - HB2 LEU 74 50.000% * 0.0963% (0.15 1.00 0.02 0.02) = 0.096% Peak 3697 (6.88, 1.17, 41.87 ppm): 8 chemical-shift based assignments, quality = 0.829, support = 2.57, residual support = 15.6: QD PHE 21 - HB2 LEU 43 12.500% * 51.6366% (0.92 3.28 22.91) = 51.637% kept HD21 ASN 119 - HB2 LEU 43 12.500% * 26.5472% (0.98 1.60 2.01) = 26.547% kept * HZ PHE 21 - HB2 LEU 43 12.500% * 14.1054% (0.27 3.05 22.91) = 14.105% kept QD PHE 21 - HB2 LEU 74 12.500% * 4.7821% (0.89 0.32 0.02) = 4.782% kept HD22 ASN 15 - HB2 LEU 43 12.500% * 2.3379% (0.55 0.25 0.02) = 2.338% kept HD21 ASN 119 - HB2 LEU 74 12.500% * 0.3204% (0.94 0.02 0.02) = 0.320% HD22 ASN 15 - HB2 LEU 74 12.500% * 0.1814% (0.53 0.02 0.02) = 0.181% HZ PHE 21 - HB2 LEU 74 12.500% * 0.0891% (0.26 0.02 0.02) = 0.089% Peak 3698 (7.97, 2.11, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.642, support = 6.74, residual support = 176.6: * O HN LEU 43 - HB3 LEU 43 50.000% * 98.1965% (0.64 10.0 6.86 179.85) = 98.197% kept HN LYS+ 72 - HB3 LEU 43 50.000% * 1.8035% (0.60 1.0 0.39 0.02) = 1.803% kept Peak 3699 (7.02, 2.11, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.248, support = 3.68, residual support = 22.9: * QE PHE 21 - HB3 LEU 43 100.000% *100.0000% (0.25 3.68 22.91) = 100.000% kept Peak 3700 (6.88, 2.11, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.895, support = 1.84, residual support = 14.5: QD PHE 21 - HB3 LEU 43 25.000% * 51.9508% (0.99 2.21 22.91) = 51.951% kept HD21 ASN 119 - HB3 LEU 43 25.000% * 33.6167% (0.96 1.48 2.01) = 33.617% kept * HZ PHE 21 - HB3 LEU 43 25.000% * 8.5550% (0.17 2.07 22.91) = 8.555% kept HD22 ASN 15 - HB3 LEU 43 25.000% * 5.8775% (0.72 0.34 0.02) = 5.877% kept Peak 3701 (9.46, 1.62, 41.82 ppm): 1 chemical-shift based assignment, quality = 0.833, support = 3.22, residual support = 15.6: * HN HIS+ 98 - HB ILE 68 100.000% *100.0000% (0.83 3.22 15.60) = 100.000% kept Peak 3703 (9.05, 2.64, 41.23 ppm): 8 chemical-shift based assignments, quality = 0.376, support = 2.35, residual support = 7.17: * HN THR 79 - HB3 ASP- 82 12.500% * 66.5707% (0.35 3.15 10.53) = 66.571% kept HN GLU- 54 - HB3 ASP- 82 12.500% * 25.0773% (0.46 0.92 0.62) = 25.077% kept HN LYS+ 66 - HB3 ASP- 82 12.500% * 7.5959% (0.35 0.36 0.02) = 7.596% kept HN GLY 30 - HB3 ASP- 82 12.500% * 0.3475% (0.29 0.02 0.02) = 0.347% HN GLU- 54 - HB3 ASP- 36 12.500% * 0.1286% (0.11 0.02 0.02) = 0.129% HN LYS+ 66 - HB3 ASP- 36 12.500% * 0.0992% (0.08 0.02 0.02) = 0.099% HN THR 79 - HB3 ASP- 36 12.500% * 0.0992% (0.08 0.02 0.02) = 0.099% HN GLY 30 - HB3 ASP- 36 12.500% * 0.0816% (0.07 0.02 0.02) = 0.082% Peak 3704 (9.05, 2.17, 41.26 ppm): 4 chemical-shift based assignments, quality = 0.376, support = 1.28, residual support = 5.05: * HN THR 79 - HB2 ASP- 82 25.000% * 45.3038% (0.33 1.59 10.53) = 45.304% kept HN GLU- 54 - HB2 ASP- 82 25.000% * 43.8746% (0.43 1.19 0.62) = 43.875% kept HN LYS+ 66 - HB2 ASP- 82 25.000% * 10.3536% (0.33 0.36 0.02) = 10.354% kept HN GLY 30 - HB2 ASP- 82 25.000% * 0.4680% (0.27 0.02 0.02) = 0.468% Peak 3705 (8.26, 2.72, 41.54 ppm): 9 chemical-shift based assignments, quality = 0.465, support = 2.24, residual support = 18.6: * O HN ASP- 115 - HB3 ASP- 115 11.111% * 99.6387% (0.47 10.0 2.24 18.67) = 99.639% kept HN THR 106 - HB3 ASP- 115 11.111% * 0.0970% (0.45 1.0 0.02 0.02) = 0.097% HN GLU- 12 - HB3 ASP- 115 11.111% * 0.0569% (0.27 1.0 0.02 0.02) = 0.057% HN LYS+ 81 - HB3 ASP- 115 11.111% * 0.0451% (0.21 1.0 0.02 0.02) = 0.045% HN ASN 89 - HB3 ASP- 115 11.111% * 0.0451% (0.21 1.0 0.02 0.02) = 0.045% HN LEU 67 - HB3 ASP- 115 11.111% * 0.0451% (0.21 1.0 0.02 0.02) = 0.045% HN GLY 58 - HB3 ASP- 115 11.111% * 0.0343% (0.16 1.0 0.02 0.02) = 0.034% HN SER 49 - HB3 ASP- 115 11.111% * 0.0224% (0.10 1.0 0.02 0.02) = 0.022% HN ASP- 28 - HB3 ASP- 115 11.111% * 0.0155% (0.07 1.0 0.02 0.02) = 0.016% Peak 3706 (8.26, 2.53, 41.54 ppm): 9 chemical-shift based assignments, quality = 0.507, support = 2.22, residual support = 18.4: * O HN ASP- 115 - HB2 ASP- 115 11.111% * 98.4070% (0.51 10.0 2.24 18.67) = 98.407% kept HN GLY 58 - HB2 ASP- 115 11.111% * 1.2700% (0.18 1.0 0.75 0.02) = 1.270% kept HN THR 106 - HB2 ASP- 115 11.111% * 0.0958% (0.50 1.0 0.02 0.02) = 0.096% HN GLU- 12 - HB2 ASP- 115 11.111% * 0.0562% (0.29 1.0 0.02 0.02) = 0.056% HN ASN 89 - HB2 ASP- 115 11.111% * 0.0445% (0.23 1.0 0.02 0.02) = 0.045% HN LYS+ 81 - HB2 ASP- 115 11.111% * 0.0445% (0.23 1.0 0.02 0.02) = 0.045% HN LEU 67 - HB2 ASP- 115 11.111% * 0.0445% (0.23 1.0 0.02 0.02) = 0.045% HN SER 49 - HB2 ASP- 115 11.111% * 0.0221% (0.12 1.0 0.02 0.02) = 0.022% HN ASP- 28 - HB2 ASP- 115 11.111% * 0.0153% (0.08 1.0 0.02 0.02) = 0.015% Peak 3707 (4.86, 2.53, 41.54 ppm): 3 chemical-shift based assignments, quality = 0.516, support = 2.93, residual support = 18.6: * O HA ASP- 115 - HB2 ASP- 115 33.333% * 99.8798% (0.52 10.0 2.93 18.67) = 99.880% kept HA THR 96 - HB2 ASP- 115 33.333% * 0.0924% (0.48 1.0 0.02 0.02) = 0.092% HA ILE 19 - HB2 ASP- 115 33.333% * 0.0278% (0.14 1.0 0.02 0.02) = 0.028% Peak 3708 (4.86, 2.72, 41.54 ppm): 3 chemical-shift based assignments, quality = 0.47, support = 2.93, residual support = 18.6: * O HA ASP- 115 - HB3 ASP- 115 33.333% * 99.8798% (0.47 10.0 2.93 18.67) = 99.880% kept HA THR 96 - HB3 ASP- 115 33.333% * 0.0924% (0.44 1.0 0.02 0.02) = 0.092% HA ILE 19 - HB3 ASP- 115 33.333% * 0.0278% (0.13 1.0 0.02 0.02) = 0.028% Peak 3709 (5.08, 2.60, 42.79 ppm): 1 chemical-shift based assignment, quality = 0.391, support = 2.62, residual support = 41.0: * O HA PHE 34 - HB2 PHE 34 100.000% *100.0000% (0.39 10.0 2.62 41.03) = 100.000% kept Peak 3710 (7.33, 3.17, 42.79 ppm): 12 chemical-shift based assignments, quality = 0.631, support = 3.04, residual support = 39.8: * O QD PHE 34 - HB3 PHE 34 8.333% * 71.8487% (0.58 10.0 3.31 41.03) = 71.849% kept QE PHE 34 - HB3 PHE 34 8.333% * 13.4229% (0.80 1.0 2.71 41.03) = 13.423% kept HZ PHE 34 - HB3 PHE 34 8.333% * 11.4740% (0.80 1.0 2.32 41.03) = 11.474% kept HN VAL 47 - HB3 PHE 34 8.333% * 3.0645% (0.52 1.0 0.96 4.08) = 3.065% kept HZ2 TRP 51 - HB3 PHE 34 8.333% * 0.0989% (0.80 1.0 0.02 0.02) = 0.099% HN ARG+ 84 - HB3 PHE 34 8.333% * 0.0600% (0.48 1.0 0.02 5.06) = 0.060% HZ2 TRP 51 - HE3 LYS+ 108 8.333% * 0.0062% (0.05 1.0 0.02 0.02) = 0.006% QE PHE 34 - HE3 LYS+ 108 8.333% * 0.0062% (0.05 1.0 0.02 0.02) = 0.006% HZ PHE 34 - HE3 LYS+ 108 8.333% * 0.0062% (0.05 1.0 0.02 0.02) = 0.006% QD PHE 34 - HE3 LYS+ 108 8.333% * 0.0045% (0.04 1.0 0.02 0.02) = 0.005% HN VAL 47 - HE3 LYS+ 108 8.333% * 0.0040% (0.03 1.0 0.02 0.02) = 0.004% HN ARG+ 84 - HE3 LYS+ 108 8.333% * 0.0038% (0.03 1.0 0.02 0.02) = 0.004% Peak 3711 (8.77, 3.17, 42.79 ppm): 8 chemical-shift based assignments, quality = 0.636, support = 3.92, residual support = 40.5: * O HN PHE 34 - HB3 PHE 34 12.500% * 98.6430% (0.64 10.0 3.97 41.03) = 98.643% kept HN SER 69 - HB3 PHE 34 12.500% * 1.1571% (0.52 1.0 0.29 0.02) = 1.157% kept HN THR 95 - HB3 PHE 34 12.500% * 0.1029% (0.67 1.0 0.02 0.02) = 0.103% HN VAL 62 - HB3 PHE 34 12.500% * 0.0747% (0.48 1.0 0.02 0.02) = 0.075% HN THR 95 - HE3 LYS+ 108 12.500% * 0.0065% (0.04 1.0 0.02 0.02) = 0.006% HN PHE 34 - HE3 LYS+ 108 12.500% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% HN SER 69 - HE3 LYS+ 108 12.500% * 0.0050% (0.03 1.0 0.02 0.02) = 0.005% HN VAL 62 - HE3 LYS+ 108 12.500% * 0.0047% (0.03 1.0 0.02 0.02) = 0.005% Peak 3712 (8.78, 2.60, 42.79 ppm): 4 chemical-shift based assignments, quality = 0.389, support = 3.94, residual support = 40.8: * O HN PHE 34 - HB2 PHE 34 25.000% * 99.5440% (0.39 10.0 3.96 41.03) = 99.544% kept HN THR 95 - HB2 PHE 34 25.000% * 0.2041% (0.80 1.0 0.02 0.02) = 0.204% HN SER 69 - HB2 PHE 34 25.000% * 0.1888% (0.74 1.0 0.02 0.02) = 0.189% HN VAL 62 - HB2 PHE 34 25.000% * 0.0631% (0.25 1.0 0.02 0.02) = 0.063% Peak 3714 (4.79, 1.73, 41.57 ppm): 4 chemical-shift based assignments, quality = 0.698, support = 5.64, residual support = 120.0: * O HA LEU 23 - HB3 LEU 23 25.000% * 99.8251% (0.70 10.0 5.65 120.20) = 99.825% kept HA ASN 15 - HB3 LEU 23 25.000% * 0.0856% (0.60 1.0 0.02 0.02) = 0.086% HA GLU- 18 - HB3 LEU 23 25.000% * 0.0468% (0.33 1.0 0.02 0.02) = 0.047% HB THR 39 - HB3 LEU 23 25.000% * 0.0425% (0.30 1.0 0.02 0.02) = 0.043% Peak 3715 (4.79, 1.93, 41.57 ppm): 8 chemical-shift based assignments, quality = 0.696, support = 6.17, residual support = 119.7: * O HA LEU 23 - HB2 LEU 23 12.500% * 99.5683% (0.70 10.0 6.19 120.20) = 99.568% kept HA GLU- 18 - HB2 LEU 23 12.500% * 0.2013% (0.33 1.0 0.09 0.02) = 0.201% HA ASN 15 - HB2 LEU 23 12.500% * 0.0854% (0.60 1.0 0.02 0.02) = 0.085% HB THR 39 - HB2 LEU 23 12.500% * 0.0424% (0.30 1.0 0.02 0.02) = 0.042% HA LEU 23 - HB ILE 29 12.500% * 0.0373% (0.26 1.0 0.02 14.52) = 0.037% HA ASN 15 - HB ILE 29 12.500% * 0.0320% (0.22 1.0 0.02 0.36) = 0.032% HA GLU- 18 - HB ILE 29 12.500% * 0.0175% (0.12 1.0 0.02 0.02) = 0.017% HB THR 39 - HB ILE 29 12.500% * 0.0159% (0.11 1.0 0.02 0.02) = 0.016% Peak 3718 (0.28, 1.73, 41.57 ppm): 2 chemical-shift based assignments, quality = 0.756, support = 4.92, residual support = 118.1: * O QD2 LEU 23 - HB3 LEU 23 50.000% * 98.2747% (0.76 10.0 5.00 120.20) = 98.275% kept QG1 VAL 122 - HB3 LEU 23 50.000% * 1.7253% (0.70 1.0 0.38 0.02) = 1.725% kept Peak 3719 (0.28, 1.93, 41.56 ppm): 4 chemical-shift based assignments, quality = 0.65, support = 3.64, residual support = 73.1: * O T QD2 LEU 23 - HB2 LEU 23 25.000% * 58.0547% (0.83 10.0 10.00 5.25 120.20) = 58.055% kept T QD2 LEU 23 - HB ILE 29 25.000% * 22.3779% (0.32 1.0 10.00 2.01 14.52) = 22.378% kept T QG1 VAL 122 - HB ILE 29 25.000% * 10.7280% (0.29 1.0 10.00 1.04 0.45) = 10.728% kept T QG1 VAL 122 - HB2 LEU 23 25.000% * 8.8394% (0.76 1.0 10.00 0.33 0.02) = 8.839% kept Peak 3720 (0.61, 1.93, 41.56 ppm): 6 chemical-shift based assignments, quality = 0.356, support = 4.17, residual support = 89.6: * O T QD1 LEU 23 - HB2 LEU 23 16.667% * 71.4616% (0.43 10.0 10.00 5.12 120.20) = 71.462% kept T QD1 LEU 23 - HB ILE 29 16.667% * 25.6111% (0.16 1.0 10.00 1.86 14.52) = 25.611% kept QG2 ILE 48 - HB2 LEU 23 16.667% * 2.8392% (0.31 1.0 1.00 1.10 0.33) = 2.839% kept QG2 VAL 122 - HB2 LEU 23 16.667% * 0.0492% (0.29 1.0 1.00 0.02 0.02) = 0.049% QG2 ILE 48 - HB ILE 29 16.667% * 0.0199% (0.12 1.0 1.00 0.02 1.84) = 0.020% QG2 VAL 122 - HB ILE 29 16.667% * 0.0190% (0.11 1.0 1.00 0.02 0.45) = 0.019% Peak 3721 (0.62, 1.73, 41.57 ppm): 1 chemical-shift based assignment, quality = 0.4, support = 0.327, residual support = 0.327: T QG2 ILE 48 - HB3 LEU 23 100.000% *100.0000% (0.40 10.00 0.33 0.33) = 100.000% kept Reference assignment not found: QD1 LEU 23 - HB3 LEU 23 Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3722 (4.58, 2.66, 41.22 ppm): 6 chemical-shift based assignments, quality = 0.504, support = 0.944, residual support = 0.857: * HA LYS+ 78 - HB3 ASP- 82 16.667% * 93.3515% (0.51 1.01 0.92) = 93.352% kept HA LYS+ 72 - HB3 ASP- 82 16.667% * 2.8497% (0.78 0.02 0.02) = 2.850% kept HA ASP- 25 - HB3 ASP- 82 16.667% * 1.8476% (0.51 0.02 0.02) = 1.848% kept HA LYS+ 72 - HB3 ASP- 36 16.667% * 0.8496% (0.23 0.02 0.02) = 0.850% HA LYS+ 78 - HB3 ASP- 36 16.667% * 0.5508% (0.15 0.02 0.02) = 0.551% HA ASP- 25 - HB3 ASP- 36 16.667% * 0.5508% (0.15 0.02 0.02) = 0.551% Peak 3723 (-0.07, 2.10, 41.75 ppm): 1 chemical-shift based assignment, quality = 0.117, support = 5.83, residual support = 179.8: * O T QD1 LEU 43 - HB3 LEU 43 100.000% *100.0000% (0.12 10.0 10.00 5.83 179.85) = 100.000% kept Peak 3724 (2.12, 2.10, 41.75 ppm): 1 diagonal assignment: * HB3 LEU 43 - HB3 LEU 43 (0.72) kept Peak 3725 (3.75, 2.10, 41.75 ppm): 2 chemical-shift based assignments, quality = 0.659, support = 5.48, residual support = 179.6: * O HA LEU 43 - HB3 LEU 43 50.000% * 99.8719% (0.66 10.0 5.49 179.85) = 99.872% kept HD3 PRO 104 - HB3 LEU 43 50.000% * 0.1281% (0.85 1.0 0.02 0.02) = 0.128% Peak 3726 (3.48, 2.10, 41.75 ppm): 5 chemical-shift based assignments, quality = 0.456, support = 1.5, residual support = 2.77: * HA VAL 40 - HB3 LEU 43 20.000% * 28.1802% (0.29 2.54 4.76) = 28.180% kept HA VAL 80 - HB3 LEU 43 20.000% * 22.3984% (0.32 1.84 4.17) = 22.398% kept HD3 PRO 31 - HB3 LEU 43 20.000% * 19.9242% (0.59 0.89 2.32) = 19.924% kept HA1 GLY 71 - HB3 LEU 43 20.000% * 17.8407% (0.72 0.66 0.14) = 17.841% kept HA1 GLY 30 - HB3 LEU 43 20.000% * 11.6566% (0.45 0.68 0.10) = 11.657% kept Peak 3727 (3.43, 1.16, 41.79 ppm): 8 chemical-shift based assignments, quality = 0.509, support = 2.06, residual support = 3.29: HA ILE 48 - HB2 LEU 43 12.500% * 32.9022% (0.84 1.30 1.60) = 32.902% kept HA VAL 62 - HB2 LEU 43 12.500% * 32.0833% (0.55 1.94 3.21) = 32.083% kept * HA VAL 40 - HB2 LEU 43 12.500% * 17.4115% (0.18 3.22 4.76) = 17.412% kept HA VAL 80 - HB2 LEU 43 12.500% * 14.2897% (0.16 2.99 4.17) = 14.290% kept HA VAL 40 - HB2 LEU 74 12.500% * 2.6655% (0.12 0.71 11.48) = 2.665% kept HA ILE 48 - HB2 LEU 74 12.500% * 0.3508% (0.58 0.02 0.02) = 0.351% HA VAL 62 - HB2 LEU 74 12.500% * 0.2305% (0.38 0.02 0.02) = 0.230% HA VAL 80 - HB2 LEU 74 12.500% * 0.0665% (0.11 0.02 0.02) = 0.067% Peak 3728 (3.49, 3.48, 42.75 ppm): 1 diagonal assignment: * HA1 GLY 30 - HA1 GLY 30 (0.83) kept Peak 3729 (3.16, 3.16, 43.82 ppm): 1 diagonal assignment: * HD3 ARG+ 84 - HD3 ARG+ 84 (0.57) kept Peak 3730 (3.71, 3.16, 43.82 ppm): 4 chemical-shift based assignments, quality = 0.561, support = 1.5, residual support = 6.28: * T HA LYS+ 81 - HD3 ARG+ 84 25.000% * 79.7831% (0.54 10.00 1.44 7.16) = 79.783% kept HB3 SER 69 - HD3 ARG+ 84 25.000% * 15.0327% (0.72 1.00 2.02 3.36) = 15.033% kept HB2 TRP 51 - HD3 ARG+ 84 25.000% * 5.1393% (0.47 1.00 1.05 1.28) = 5.139% kept HA LEU 43 - HD3 ARG+ 84 25.000% * 0.0449% (0.22 1.00 0.02 0.02) = 0.045% Peak 3731 (2.63, 2.64, 43.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3732 (2.63, 2.46, 43.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3733 (2.46, 2.46, 43.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3734 (2.47, 2.64, 43.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3735 (1.63, 2.65, 41.23 ppm): 20 chemical-shift based assignments, quality = 0.768, support = 1.15, residual support = 1.27: HG LEU 23 - HB3 ASP- 82 5.000% * 28.0581% (0.96 1.34 2.34) = 28.058% kept HG2 ARG+ 22 - HB3 ASP- 82 5.000% * 20.7188% (0.72 1.32 1.65) = 20.719% kept * HG3 LYS+ 78 - HB3 ASP- 82 5.000% * 19.5409% (0.64 1.40 0.92) = 19.541% kept HG12 ILE 101 - HB3 ASP- 82 5.000% * 12.8420% (0.92 0.64 0.52) = 12.842% kept HG3 ARG+ 84 - HB3 ASP- 82 5.000% * 7.5224% (0.22 1.56 0.32) = 7.522% kept HB ILE 68 - HB3 ASP- 82 5.000% * 5.0784% (0.89 0.26 0.02) = 5.078% kept HG LEU 43 - HB3 ASP- 82 5.000% * 4.9156% (0.89 0.25 0.02) = 4.916% kept HB VAL 122 - HB3 ASP- 82 5.000% * 0.3882% (0.89 0.02 0.02) = 0.388% HG2 LYS+ 110 - HB3 ASP- 82 5.000% * 0.1336% (0.31 0.02 0.02) = 0.134% HG LEU 23 - HB3 ASP- 36 5.000% * 0.1035% (0.24 0.02 0.02) = 0.103% HG12 ILE 101 - HB3 ASP- 36 5.000% * 0.0990% (0.23 0.02 0.02) = 0.099% HB VAL 122 - HB3 ASP- 36 5.000% * 0.0962% (0.22 0.02 0.02) = 0.096% HB ILE 68 - HB3 ASP- 36 5.000% * 0.0962% (0.22 0.02 0.69) = 0.096% HG LEU 43 - HB3 ASP- 36 5.000% * 0.0962% (0.22 0.02 0.02) = 0.096% HB3 PRO 52 - HB3 ASP- 82 5.000% * 0.0857% (0.20 0.02 0.02) = 0.086% HG2 ARG+ 22 - HB3 ASP- 36 5.000% * 0.0779% (0.18 0.02 0.02) = 0.078% HG3 LYS+ 78 - HB3 ASP- 36 5.000% * 0.0694% (0.16 0.02 0.02) = 0.069% HG2 LYS+ 110 - HB3 ASP- 36 5.000% * 0.0331% (0.08 0.02 0.02) = 0.033% HG3 ARG+ 84 - HB3 ASP- 36 5.000% * 0.0239% (0.05 0.02 0.02) = 0.024% HB3 PRO 52 - HB3 ASP- 36 5.000% * 0.0212% (0.05 0.02 0.02) = 0.021% Peak 3736 (1.64, 2.17, 41.26 ppm): 12 chemical-shift based assignments, quality = 0.653, support = 1.77, residual support = 1.42: HG2 ARG+ 22 - HB2 ASP- 82 8.333% * 37.3285% (0.86 2.21 1.65) = 37.328% kept HG LEU 23 - HB2 ASP- 82 8.333% * 28.5949% (0.65 2.25 2.34) = 28.595% kept HG3 ARG+ 84 - HB2 ASP- 82 8.333% * 10.7416% (0.43 1.26 0.32) = 10.742% kept HG12 ILE 101 - HB2 ASP- 82 8.333% * 8.7562% (0.58 0.77 0.52) = 8.756% kept * HG3 LYS+ 78 - HB2 ASP- 82 8.333% * 6.3126% (0.30 1.06 0.92) = 6.313% kept HB VAL 122 - HB2 ASP- 82 8.333% * 3.1603% (0.54 0.30 0.02) = 3.160% kept HB3 LYS+ 66 - HB2 ASP- 82 8.333% * 2.8717% (0.27 0.53 0.02) = 2.872% kept HB ILE 68 - HB2 ASP- 82 8.333% * 1.0233% (0.54 0.10 0.02) = 1.023% kept HG LEU 43 - HB2 ASP- 82 8.333% * 0.9905% (0.54 0.09 0.02) = 0.991% HB ILE 100 - HB2 ASP- 82 8.333% * 0.0972% (0.25 0.02 0.02) = 0.097% HB3 MET 97 - HB2 ASP- 82 8.333% * 0.0692% (0.18 0.02 0.02) = 0.069% HB3 MET 126 - HB2 ASP- 82 8.333% * 0.0540% (0.14 0.02 0.02) = 0.054% Peak 3737 (0.28, 2.91, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3738 (0.28, 2.76, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.365, support = 1.43, residual support = 5.27: QD2 LEU 23 - HB3 ASP- 115 50.000% * 94.1165% (0.37 1.51 5.60) = 94.116% kept QG1 VAL 122 - HB3 ASP- 115 50.000% * 5.8835% (0.35 0.10 0.02) = 5.884% kept Peak 3745 (0.93, 1.62, 41.87 ppm): 14 chemical-shift based assignments, quality = 0.938, support = 5.54, residual support = 88.0: * O HG12 ILE 68 - HB ILE 68 7.143% * 92.7492% (0.99 10.0 5.71 92.61) = 92.749% kept QD1 LEU 67 - HB ILE 68 7.143% * 5.9263% (0.31 1.0 4.14 34.86) = 5.926% kept QG2 VAL 80 - HB ILE 68 7.143% * 0.7852% (0.94 1.0 0.18 0.02) = 0.785% HG3 LYS+ 110 - HB ILE 68 7.143% * 0.0919% (0.98 1.0 0.02 0.02) = 0.092% QG2 VAL 105 - HB ILE 68 7.143% * 0.0832% (0.89 1.0 0.02 0.60) = 0.083% QD1 LEU 17 - HB ILE 68 7.143% * 0.0805% (0.86 1.0 0.02 0.02) = 0.080% QG1 VAL 105 - HB ILE 68 7.143% * 0.0775% (0.83 1.0 0.02 0.60) = 0.077% QG2 VAL 62 - HB ILE 68 7.143% * 0.0451% (0.48 1.0 0.02 0.02) = 0.045% QG2 VAL 73 - HB ILE 68 7.143% * 0.0348% (0.37 1.0 0.02 1.95) = 0.035% HG3 LYS+ 117 - HB ILE 68 7.143% * 0.0348% (0.37 1.0 0.02 0.02) = 0.035% QG2 ILE 29 - HB ILE 68 7.143% * 0.0316% (0.34 1.0 0.02 0.02) = 0.032% QG1 VAL 47 - HB ILE 68 7.143% * 0.0231% (0.25 1.0 0.02 0.02) = 0.023% QG2 VAL 87 - HB ILE 68 7.143% * 0.0184% (0.20 1.0 0.02 0.02) = 0.018% QG2 VAL 40 - HB ILE 68 7.143% * 0.0184% (0.20 1.0 0.02 0.02) = 0.018% Peak 3746 (1.63, 1.62, 41.87 ppm): 1 diagonal assignment: * HB ILE 68 - HB ILE 68 (0.89) kept Peak 3747 (8.30, 2.13, 45.43 ppm): 6 chemical-shift based assignments, quality = 0.711, support = 3.38, residual support = 36.9: * O HN ASP- 28 - HB2 ASP- 28 16.667% * 97.3345% (0.71 10.0 3.47 37.87) = 97.335% kept HN ALA 91 - HB2 ASP- 28 16.667% * 1.8677% (0.98 1.0 0.28 0.02) = 1.868% kept HN VAL 99 - HB2 ASP- 28 16.667% * 0.6809% (0.63 1.0 0.16 0.44) = 0.681% HN ASN 89 - HB2 ASP- 28 16.667% * 0.0457% (0.33 1.0 0.02 0.02) = 0.046% HN ASN 76 - HB2 ASP- 28 16.667% * 0.0414% (0.30 1.0 0.02 0.02) = 0.041% HN GLY 114 - HB2 ASP- 28 16.667% * 0.0298% (0.22 1.0 0.02 0.02) = 0.030% Peak 3748 (9.31, 2.13, 45.43 ppm): 2 chemical-shift based assignments, quality = 0.8, support = 4.42, residual support = 22.7: * HN ILE 29 - HB2 ASP- 28 50.000% * 80.4714% (0.88 4.95 26.71) = 80.471% kept HN LEU 23 - HB2 ASP- 28 50.000% * 19.5286% (0.48 2.21 6.17) = 19.529% kept Peak 3749 (9.31, 2.39, 45.43 ppm): 2 chemical-shift based assignments, quality = 0.806, support = 5.37, residual support = 23.0: * HN ILE 29 - HB3 ASP- 28 50.000% * 81.7981% (0.88 6.02 26.71) = 81.798% kept HN LEU 23 - HB3 ASP- 28 50.000% * 18.2019% (0.48 2.47 6.17) = 18.202% kept Peak 3750 (8.51, 1.35, 45.37 ppm): 2 chemical-shift based assignments, quality = 0.147, support = 6.78, residual support = 32.9: * HN GLU- 18 - HB3 LEU 17 50.000% * 99.4740% (0.15 6.82 33.06) = 99.474% kept HN GLU- 10 - HB3 LEU 17 50.000% * 0.5260% (0.27 0.02 0.02) = 0.526% Peak 3751 (8.52, 1.74, 45.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN GLU- 18 - HB2 LEU 17 Peak unassigned. Peak 3752 (3.97, 3.98, 45.56 ppm): 2 diagonal assignments: * HA1 GLY 92 - HA1 GLY 92 (0.34) kept HA1 GLY 114 - HA1 GLY 114 (0.02) kept Peak 3753 (7.83, 3.98, 45.56 ppm): 6 chemical-shift based assignments, quality = 0.153, support = 2.47, residual support = 12.7: * O HN ALA 93 - HA1 GLY 92 16.667% * 99.3342% (0.15 10.0 2.49 12.76) = 99.334% kept HN LYS+ 63 - HA1 GLY 92 16.667% * 0.3502% (0.54 1.0 0.02 0.02) = 0.350% HN LYS+ 55 - HA1 GLY 92 16.667% * 0.2167% (0.34 1.0 0.02 0.02) = 0.217% HN LYS+ 63 - HA1 GLY 114 16.667% * 0.0520% (0.08 1.0 0.02 0.02) = 0.052% HN LYS+ 55 - HA1 GLY 114 16.667% * 0.0322% (0.05 1.0 0.02 0.02) = 0.032% HN ALA 93 - HA1 GLY 114 16.667% * 0.0147% (0.02 1.0 0.02 0.02) = 0.015% Peak 3754 (7.83, 3.82, 45.56 ppm): 3 chemical-shift based assignments, quality = 0.175, support = 1.59, residual support = 12.7: * O HN ALA 93 - HA2 GLY 92 33.333% * 99.2919% (0.18 10.0 1.60 12.76) = 99.292% kept HN LYS+ 63 - HA2 GLY 92 33.333% * 0.4374% (0.62 1.0 0.02 0.02) = 0.437% HN LYS+ 55 - HA2 GLY 92 33.333% * 0.2707% (0.38 1.0 0.02 0.02) = 0.271% Peak 3755 (8.46, 3.82, 45.56 ppm): 7 chemical-shift based assignments, quality = 0.547, support = 2.2, residual support = 7.65: * O HN GLY 92 - HA2 GLY 92 14.286% * 99.6509% (0.55 10.0 2.20 7.67) = 99.651% kept HN GLU- 107 - HA2 GLY 92 14.286% * 0.1139% (0.63 1.0 0.02 0.02) = 0.114% HN LEU 74 - HA2 GLY 92 14.286% * 0.0834% (0.46 1.0 0.02 0.25) = 0.083% HN LYS+ 113 - HA2 GLY 92 14.286% * 0.0604% (0.33 1.0 0.02 0.02) = 0.060% HN GLU- 18 - HA2 GLY 92 14.286% * 0.0472% (0.26 1.0 0.02 0.02) = 0.047% HN GLU- 10 - HA2 GLY 92 14.286% * 0.0286% (0.16 1.0 0.02 0.02) = 0.029% HN ARG+ 53 - HA2 GLY 92 14.286% * 0.0155% (0.09 1.0 0.02 0.02) = 0.016% Peak 3756 (7.97, 3.46, 45.56 ppm): 2 chemical-shift based assignments, quality = 0.374, support = 3.15, residual support = 12.0: * O HN LYS+ 72 - HA1 GLY 71 50.000% * 93.4463% (0.38 10.0 3.27 12.79) = 93.446% kept HN LEU 43 - HA1 GLY 71 50.000% * 6.5537% (0.35 1.0 1.50 0.14) = 6.554% kept Peak 3757 (7.34, 7.34, 45.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3758 (7.15, 7.16, 45.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3759 (9.51, 7.16, 45.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3760 (8.26, 1.21, 46.81 ppm): 8 chemical-shift based assignments, quality = 0.483, support = 4.32, residual support = 100.3: * O HN LEU 67 - HB2 LEU 67 12.500% * 87.2564% (0.45 10.0 4.87 114.96) = 87.256% kept HN THR 106 - HB2 LEU 67 12.500% * 5.0647% (0.85 1.0 0.62 0.02) = 5.065% kept HN ASP- 115 - HB2 LEU 67 12.500% * 4.8974% (0.86 1.0 0.59 0.02) = 4.897% kept HN ASN 89 - HB2 LEU 67 12.500% * 1.7765% (0.32 1.0 0.57 0.13) = 1.777% kept HN GLU- 12 - HB2 LEU 67 12.500% * 0.8034% (0.55 1.0 0.15 0.02) = 0.803% HN LYS+ 81 - HB2 LEU 67 12.500% * 0.0873% (0.45 1.0 0.02 0.02) = 0.087% HN GLY 58 - HB2 LEU 67 12.500% * 0.0682% (0.35 1.0 0.02 0.02) = 0.068% HN SER 49 - HB2 LEU 67 12.500% * 0.0461% (0.24 1.0 0.02 0.02) = 0.046% Peak 3761 (8.87, 1.21, 46.81 ppm): 2 chemical-shift based assignments, quality = 0.739, support = 4.69, residual support = 30.7: * HN ILE 68 - HB2 LEU 67 50.000% * 87.8182% (0.74 5.24 34.86) = 87.818% kept HN ASP- 36 - HB2 LEU 67 50.000% * 12.1818% (0.71 0.75 0.59) = 12.182% kept Peak 3762 (8.26, 1.47, 46.81 ppm): 8 chemical-shift based assignments, quality = 0.509, support = 4.15, residual support = 98.8: * O HN LEU 67 - HB3 LEU 67 12.500% * 85.9583% (0.46 10.0 4.72 114.96) = 85.958% kept HN THR 106 - HB3 LEU 67 12.500% * 5.8791% (0.88 1.0 0.73 0.02) = 5.879% kept HN ASP- 115 - HB3 LEU 67 12.500% * 5.7841% (0.88 1.0 0.71 0.02) = 5.784% kept HN ASN 89 - HB3 LEU 67 12.500% * 2.0743% (0.33 1.0 0.68 0.13) = 2.074% kept HN GLU- 12 - HB3 LEU 67 12.500% * 0.1057% (0.57 1.0 0.02 0.02) = 0.106% HN LYS+ 81 - HB3 LEU 67 12.500% * 0.0860% (0.46 1.0 0.02 0.02) = 0.086% HN GLY 58 - HB3 LEU 67 12.500% * 0.0672% (0.36 1.0 0.02 0.02) = 0.067% HN SER 49 - HB3 LEU 67 12.500% * 0.0454% (0.25 1.0 0.02 0.02) = 0.045% Peak 3763 (7.34, 7.34, 48.66 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3764 (6.89, 6.89, 48.99 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3765 (3.61, 3.61, 50.61 ppm): 1 diagonal assignment: * HD2 PRO 112 - HD2 PRO 112 (0.29) kept Peak 3766 (3.75, 3.75, 50.58 ppm): 1 diagonal assignment: * HD3 PRO 104 - HD3 PRO 104 (0.89) kept Peak 3767 (2.27, 3.61, 50.61 ppm): 36 chemical-shift based assignments, quality = 0.341, support = 4.56, residual support = 38.9: * O T HG2 PRO 112 - HD2 PRO 112 2.778% * 51.1520% (0.36 10.0 10.00 5.00 39.48) = 51.152% kept O HB3 PRO 112 - HD2 PRO 112 2.778% * 47.4435% (0.33 10.0 1.00 4.23 39.48) = 47.444% kept T HG2 PRO 112 - HD2 PRO 104 2.778% * 0.5180% (0.36 1.0 10.00 0.02 3.72) = 0.518% T HG2 PRO 112 - HD2 PRO 31 2.778% * 0.1174% (0.08 1.0 10.00 0.02 0.02) = 0.117% HB VAL 80 - HD2 PRO 104 2.778% * 0.0531% (0.37 1.0 1.00 0.02 0.02) = 0.053% HB VAL 80 - HD2 PRO 112 2.778% * 0.0524% (0.37 1.0 1.00 0.02 0.02) = 0.052% HG3 GLU- 75 - HD2 PRO 104 2.778% * 0.0521% (0.37 1.0 1.00 0.02 0.02) = 0.052% HB3 LYS+ 117 - HD2 PRO 104 2.778% * 0.0521% (0.37 1.0 1.00 0.02 0.02) = 0.052% HG3 GLU- 75 - HD2 PRO 112 2.778% * 0.0515% (0.36 1.0 1.00 0.02 0.30) = 0.051% HB3 LYS+ 117 - HD2 PRO 112 2.778% * 0.0515% (0.36 1.0 1.00 0.02 0.02) = 0.051% HB3 PRO 112 - HD2 PRO 104 2.778% * 0.0480% (0.34 1.0 1.00 0.02 3.72) = 0.048% HG3 GLU- 54 - HD2 PRO 104 2.778% * 0.0461% (0.32 1.0 1.00 0.02 0.02) = 0.046% HG3 GLU- 54 - HD2 PRO 112 2.778% * 0.0456% (0.32 1.0 1.00 0.02 0.12) = 0.046% HG3 GLU- 107 - HD2 PRO 104 2.778% * 0.0426% (0.30 1.0 1.00 0.02 0.02) = 0.043% HG3 GLU- 107 - HD2 PRO 112 2.778% * 0.0421% (0.29 1.0 1.00 0.02 0.02) = 0.042% HB2 LYS+ 44 - HD2 PRO 104 2.778% * 0.0259% (0.18 1.0 1.00 0.02 0.02) = 0.026% HB2 LYS+ 44 - HD2 PRO 112 2.778% * 0.0256% (0.18 1.0 1.00 0.02 0.27) = 0.026% HB3 ASN 15 - HD2 PRO 104 2.778% * 0.0181% (0.13 1.0 1.00 0.02 0.02) = 0.018% HB3 ASN 15 - HD2 PRO 112 2.778% * 0.0179% (0.13 1.0 1.00 0.02 0.02) = 0.018% HB VAL 80 - HD2 PRO 31 2.778% * 0.0120% (0.08 1.0 1.00 0.02 0.02) = 0.012% HG3 GLU- 10 - HD2 PRO 104 2.778% * 0.0118% (0.08 1.0 1.00 0.02 0.02) = 0.012% HG3 GLU- 75 - HD2 PRO 31 2.778% * 0.0118% (0.08 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 117 - HD2 PRO 31 2.778% * 0.0118% (0.08 1.0 1.00 0.02 0.14) = 0.012% HG3 GLU- 10 - HD2 PRO 112 2.778% * 0.0117% (0.08 1.0 1.00 0.02 0.02) = 0.012% HB3 PRO 112 - HD2 PRO 31 2.778% * 0.0109% (0.08 1.0 1.00 0.02 0.02) = 0.011% HG3 GLN 16 - HD2 PRO 104 2.778% * 0.0105% (0.07 1.0 1.00 0.02 0.02) = 0.011% HG3 GLU- 54 - HD2 PRO 31 2.778% * 0.0105% (0.07 1.0 1.00 0.02 0.02) = 0.010% HG3 GLN 16 - HD2 PRO 112 2.778% * 0.0104% (0.07 1.0 1.00 0.02 0.02) = 0.010% HG3 GLU- 107 - HD2 PRO 31 2.778% * 0.0097% (0.07 1.0 1.00 0.02 0.02) = 0.010% HB3 GLU- 45 - HD2 PRO 104 2.778% * 0.0082% (0.06 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 45 - HD2 PRO 112 2.778% * 0.0081% (0.06 1.0 1.00 0.02 0.28) = 0.008% HB2 LYS+ 44 - HD2 PRO 31 2.778% * 0.0059% (0.04 1.0 1.00 0.02 0.98) = 0.006% HB3 ASN 15 - HD2 PRO 31 2.778% * 0.0041% (0.03 1.0 1.00 0.02 0.02) = 0.004% HG3 GLU- 10 - HD2 PRO 31 2.778% * 0.0027% (0.02 1.0 1.00 0.02 0.02) = 0.003% HG3 GLN 16 - HD2 PRO 31 2.778% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 GLU- 45 - HD2 PRO 31 2.778% * 0.0019% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 3768 (1.36, 3.46, 50.99 ppm): 7 chemical-shift based assignments, quality = 0.905, support = 1.11, residual support = 3.46: * T HB3 LYS+ 20 - HD3 PRO 31 14.286% * 93.4724% (0.91 10.00 1.17 3.69) = 93.472% kept HB3 LEU 17 - HD3 PRO 31 14.286% * 2.1557% (0.90 1.00 0.27 0.11) = 2.156% kept QB ALA 11 - HD3 PRO 31 14.286% * 2.1557% (0.90 1.00 0.27 0.02) = 2.156% kept HG3 LYS+ 81 - HD3 PRO 31 14.286% * 1.9409% (0.85 1.00 0.26 0.02) = 1.941% kept HG2 LYS+ 78 - HD3 PRO 31 14.286% * 0.1234% (0.70 1.00 0.02 0.02) = 0.123% QG2 THR 39 - HD3 PRO 31 14.286% * 0.0914% (0.52 1.00 0.02 0.02) = 0.091% HG13 ILE 68 - HD3 PRO 31 14.286% * 0.0606% (0.34 1.00 0.02 0.02) = 0.061% Peak 3769 (1.36, 3.58, 50.95 ppm): 14 chemical-shift based assignments, quality = 0.914, support = 1.0, residual support = 2.13: * HB3 LYS+ 20 - HD2 PRO 31 7.143% * 57.1008% (0.96 1.54 3.69) = 57.101% kept HB3 LEU 17 - HD2 PRO 31 7.143% * 11.5308% (0.95 0.31 0.11) = 11.531% kept QB ALA 11 - HD2 PRO 31 7.143% * 11.5308% (0.95 0.31 0.02) = 11.531% kept HG3 LYS+ 81 - HD2 PRO 31 7.143% * 10.3815% (0.89 0.30 0.02) = 10.381% kept HG2 LYS+ 78 - HD2 PRO 31 7.143% * 7.4593% (0.74 0.26 0.02) = 7.459% kept HG2 LYS+ 78 - HD2 PRO 104 7.143% * 0.5744% (0.15 0.10 0.02) = 0.574% QG2 THR 39 - HD2 PRO 31 7.143% * 0.4248% (0.55 0.02 0.02) = 0.425% HG13 ILE 68 - HD2 PRO 31 7.143% * 0.2816% (0.36 0.02 0.02) = 0.282% HB3 LYS+ 20 - HD2 PRO 104 7.143% * 0.1474% (0.19 0.02 0.02) = 0.147% HB3 LEU 17 - HD2 PRO 104 7.143% * 0.1457% (0.19 0.02 0.02) = 0.146% QB ALA 11 - HD2 PRO 104 7.143% * 0.1457% (0.19 0.02 0.02) = 0.146% HG3 LYS+ 81 - HD2 PRO 104 7.143% * 0.1372% (0.18 0.02 0.02) = 0.137% QG2 THR 39 - HD2 PRO 104 7.143% * 0.0842% (0.11 0.02 0.02) = 0.084% HG13 ILE 68 - HD2 PRO 104 7.143% * 0.0558% (0.07 0.02 0.02) = 0.056% Peak 3770 (2.08, 3.93, 51.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3771 (1.99, 3.59, 50.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3772 (3.77, 3.45, 50.93 ppm): 2 chemical-shift based assignments, quality = 0.161, support = 1.32, residual support = 2.24: HA LEU 43 - HD3 PRO 31 50.000% * 96.7899% (0.15 1.37 2.32) = 96.790% kept HD3 PRO 104 - HD3 PRO 31 50.000% * 3.2101% (0.35 0.02 0.02) = 3.210% kept Not enough quality. Peak unassigned. Peak 3773 (7.08, 7.08, 50.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3774 (7.33, 7.33, 50.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3775 (7.21, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.767, support = 2.63, residual support = 7.19: * HH2 TRP 51 - QD1 ILE 101 50.000% * 51.9096% (0.63 3.18 7.19) = 51.910% kept HN TRP 51 - QD1 ILE 101 50.000% * 48.0904% (0.91 2.03 7.19) = 48.090% kept Peak 3776 (7.55, 0.55, 10.88 ppm): 3 chemical-shift based assignments, quality = 0.441, support = 2.03, residual support = 4.43: HN VAL 65 - QD1 ILE 101 33.333% * 77.0626% (0.48 2.33 5.60) = 77.063% kept HN ASP- 82 - QD1 ILE 101 33.333% * 22.2768% (0.31 1.04 0.52) = 22.277% kept HD22 ASN 119 - QD1 ILE 101 33.333% * 0.6607% (0.48 0.02 0.02) = 0.661% Peak 3777 (8.74, 0.55, 10.88 ppm): 5 chemical-shift based assignments, quality = 0.844, support = 4.62, residual support = 93.2: * HN ILE 101 - QD1 ILE 101 20.000% * 72.3002% (0.91 5.91 128.54) = 72.300% kept HN GLU- 56 - QD1 ILE 101 20.000% * 15.7043% (0.91 1.29 1.11) = 15.704% kept HN VAL 62 - QD1 ILE 101 20.000% * 7.1021% (0.41 1.29 0.77) = 7.102% kept HN PHE 34 - QD1 ILE 101 20.000% * 3.4631% (0.25 1.02 0.49) = 3.463% kept HN VAL 40 - QD1 ILE 101 20.000% * 1.4303% (0.12 0.86 0.59) = 1.430% kept Peak 3778 (8.91, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.912, support = 4.25, residual support = 25.6: * HN GLN 102 - QD1 ILE 101 50.000% * 99.5063% (0.92 4.28 25.72) = 99.506% kept HN ASP- 36 - QD1 ILE 101 50.000% * 0.4937% (0.23 0.09 0.02) = 0.494% Peak 3779 (9.10, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.339, support = 3.68, residual support = 8.85: HN LYS+ 66 - QD1 ILE 101 50.000% * 93.9627% (0.34 3.89 9.41) = 93.963% kept HN GLU- 54 - QD1 ILE 101 50.000% * 6.0373% (0.25 0.34 0.02) = 6.037% kept Peak 3780 (8.82, 4.39, 54.16 ppm): 3 chemical-shift based assignments, quality = 0.758, support = 2.93, residual support = 18.6: * O HN ASN 57 - HA ASN 57 33.333% * 96.2772% (0.75 10.0 3.03 19.31) = 96.277% kept HN LYS+ 60 - HA ASN 57 33.333% * 1.9105% (0.87 1.0 0.35 0.02) = 1.910% kept HN LYS+ 32 - HA ASN 57 33.333% * 1.8123% (0.82 1.0 0.35 0.02) = 1.812% kept Peak 3781 (8.23, 4.39, 54.16 ppm): 11 chemical-shift based assignments, quality = 0.749, support = 2.75, residual support = 13.0: * O HN GLY 58 - HA ASN 57 9.091% * 99.2862% (0.75 10.0 2.77 13.11) = 99.286% kept HN SER 49 - HA ASN 57 9.091% * 0.1105% (0.84 1.0 0.02 0.02) = 0.110% HN VAL 94 - HA ASN 57 9.091% * 0.0917% (0.70 1.0 0.02 0.02) = 0.092% HN LYS+ 81 - HA ASN 57 9.091% * 0.0875% (0.66 1.0 0.02 0.02) = 0.087% HN LEU 67 - HA ASN 57 9.091% * 0.0875% (0.66 1.0 0.02 0.02) = 0.087% HN VAL 105 - HA ASN 57 9.091% * 0.0875% (0.66 1.0 0.02 0.02) = 0.087% HN GLU- 12 - HA ASN 57 9.091% * 0.0740% (0.56 1.0 0.02 0.02) = 0.074% HN ALA 11 - HA ASN 57 9.091% * 0.0694% (0.53 1.0 0.02 0.02) = 0.069% HN GLU- 45 - HA ASN 57 9.091% * 0.0602% (0.46 1.0 0.02 0.02) = 0.060% HN THR 106 - HA ASN 57 9.091% * 0.0255% (0.19 1.0 0.02 0.02) = 0.025% HN ASP- 115 - HA ASN 57 9.091% * 0.0200% (0.15 1.0 0.02 0.02) = 0.020% Peak 3782 (4.39, 4.39, 54.16 ppm): 1 diagonal assignment: * HA ASN 57 - HA ASN 57 (0.82) kept Peak 3783 (4.13, 0.80, 12.73 ppm): 9 chemical-shift based assignments, quality = 0.886, support = 1.66, residual support = 1.3: HB3 SER 49 - QD1 ILE 100 11.111% * 88.7649% (0.94 1.86 1.46) = 88.765% kept HA2 GLY 71 - QD1 ILE 100 11.111% * 6.5091% (0.79 0.16 0.02) = 6.509% kept HA LYS+ 63 - QD1 ILE 100 11.111% * 1.2541% (0.22 0.11 0.02) = 1.254% kept HA ARG+ 53 - QD1 ILE 100 11.111% * 0.9985% (0.98 0.02 0.02) = 0.999% HA LYS+ 110 - QD1 ILE 100 11.111% * 0.8681% (0.85 0.02 0.02) = 0.868% HB2 SER 88 - QD1 ILE 100 11.111% * 0.5666% (0.56 0.02 0.02) = 0.567% HA THR 46 - QD1 ILE 100 11.111% * 0.5666% (0.56 0.02 0.02) = 0.567% HA ALA 70 - QD1 ILE 100 11.111% * 0.2495% (0.25 0.02 0.02) = 0.250% HA VAL 87 - QD1 ILE 100 11.111% * 0.2228% (0.22 0.02 0.35) = 0.223% Peak 3784 (4.79, 0.80, 12.73 ppm): 4 chemical-shift based assignments, quality = 0.774, support = 1.07, residual support = 3.34: HA LEU 23 - QD1 ILE 100 25.000% * 96.9285% (0.79 1.11 3.44) = 96.928% kept HA ASN 15 - QD1 ILE 100 25.000% * 1.5035% (0.68 0.02 0.02) = 1.503% kept HA GLU- 18 - QD1 ILE 100 25.000% * 0.8215% (0.37 0.02 0.33) = 0.821% HB THR 39 - QD1 ILE 100 25.000% * 0.7466% (0.34 0.02 0.02) = 0.747% Peak 3785 (8.34, 0.80, 12.73 ppm): 8 chemical-shift based assignments, quality = 0.698, support = 1.76, residual support = 3.15: HN GLU- 50 - QD1 ILE 100 12.500% * 59.9022% (0.93 1.76 1.00) = 59.902% kept * HN VAL 99 - QD1 ILE 100 12.500% * 18.4995% (0.15 3.33 13.75) = 18.499% kept HN LYS+ 108 - QD1 ILE 100 12.500% * 9.9512% (0.48 0.57 0.02) = 9.951% kept HN ALA 103 - QD1 ILE 100 12.500% * 7.8242% (0.75 0.28 0.02) = 7.824% kept HN GLY 71 - QD1 ILE 100 12.500% * 2.5482% (0.22 0.32 0.02) = 2.548% kept HN GLU- 109 - QD1 ILE 100 12.500% * 0.6006% (0.82 0.02 0.02) = 0.601% HN GLY 114 - QD1 ILE 100 12.500% * 0.3783% (0.52 0.02 0.02) = 0.378% HN ASN 76 - QD1 ILE 100 12.500% * 0.2956% (0.40 0.02 0.02) = 0.296% Peak 3786 (8.74, 0.80, 12.73 ppm): 4 chemical-shift based assignments, quality = 0.795, support = 2.84, residual support = 14.0: * HN ILE 101 - QD1 ILE 100 25.000% * 72.6638% (0.82 3.71 19.24) = 72.664% kept HN GLU- 56 - QD1 ILE 100 25.000% * 10.9356% (0.79 0.58 0.02) = 10.936% kept HN VAL 62 - QD1 ILE 100 25.000% * 10.6121% (0.75 0.59 0.13) = 10.612% kept HN PHE 34 - QD1 ILE 100 25.000% * 5.7884% (0.56 0.44 0.02) = 5.788% kept Peak 3788 (8.87, 0.80, 12.73 ppm): 2 chemical-shift based assignments, quality = 0.945, support = 0.891, residual support = 0.917: HN ILE 68 - QD1 ILE 100 50.000% * 98.4511% (0.95 0.90 0.93) = 98.451% kept HN ASP- 36 - QD1 ILE 100 50.000% * 1.5489% (0.68 0.02 0.02) = 1.549% kept Peak 3789 (9.28, 0.80, 12.73 ppm): 2 chemical-shift based assignments, quality = 0.784, support = 1.8, residual support = 3.42: HN LEU 23 - QD1 ILE 100 50.000% * 99.4849% (0.79 1.81 3.44) = 99.485% kept HN ILE 29 - QD1 ILE 100 50.000% * 0.5151% (0.37 0.02 0.02) = 0.515% Peak 3790 (8.24, 0.40, 14.05 ppm): 11 chemical-shift based assignments, quality = 0.845, support = 2.93, residual support = 17.4: * HN SER 49 - QD1 ILE 48 9.091% * 57.1841% (0.91 4.34 28.94) = 57.184% kept HN GLY 58 - QD1 ILE 48 9.091% * 16.5216% (0.98 1.17 1.16) = 16.522% kept HN LEU 67 - QD1 ILE 48 9.091% * 10.1959% (0.99 0.72 0.17) = 10.196% kept HN GLU- 45 - QD1 ILE 48 9.091% * 6.4074% (0.20 2.27 9.31) = 6.407% kept HN ASP- 115 - QD1 ILE 48 9.091% * 3.9871% (0.48 0.57 0.62) = 3.987% kept HN VAL 94 - QD1 ILE 48 9.091% * 2.0795% (0.41 0.35 0.02) = 2.080% kept HN LYS+ 81 - QD1 ILE 48 9.091% * 1.1248% (0.99 0.08 0.25) = 1.125% kept HN VAL 105 - QD1 ILE 48 9.091% * 1.1095% (0.37 0.21 0.02) = 1.110% kept HN THR 106 - QD1 ILE 48 9.091% * 1.0436% (0.56 0.13 0.02) = 1.044% kept HN GLU- 12 - QD1 ILE 48 9.091% * 0.2753% (0.95 0.02 0.02) = 0.275% HN ALA 11 - QD1 ILE 48 9.091% * 0.0711% (0.25 0.02 0.02) = 0.071% Peak 3791 (3.16, 0.73, 14.31 ppm): 6 chemical-shift based assignments, quality = 0.274, support = 1.25, residual support = 14.4: * T HB3 HIS+ 98 - QD1 ILE 68 16.667% * 91.8000% (0.27 10.00 1.31 15.60) = 91.800% kept HB3 PHE 34 - QD1 ILE 68 16.667% * 4.1338% (0.35 1.00 0.46 0.84) = 4.134% kept HD3 ARG+ 84 - QD1 ILE 68 16.667% * 3.8463% (0.22 1.00 0.67 0.39) = 3.846% kept HE3 LYS+ 72 - QD1 ILE 68 16.667% * 0.1530% (0.06 1.00 0.10 2.90) = 0.153% HE3 LYS+ 117 - QD1 ILE 68 16.667% * 0.0335% (0.07 1.00 0.02 0.02) = 0.033% HE3 LYS+ 108 - QD1 ILE 68 16.667% * 0.0335% (0.07 1.00 0.02 0.02) = 0.033% Peak 3792 (3.18, 0.69, 14.32 ppm): 4 chemical-shift based assignments, quality = 0.789, support = 2.48, residual support = 48.4: * HB3 PHE 34 - QD1 ILE 19 25.000% * 89.3073% (0.79 2.74 54.24) = 89.307% kept HD3 ARG+ 84 - QD1 ILE 19 25.000% * 8.2583% (0.98 0.20 0.02) = 8.258% kept HD3 ARG+ 84 - QD1 ILE 68 25.000% * 1.5737% (0.06 0.67 0.39) = 1.574% kept HB3 PHE 34 - QD1 ILE 68 25.000% * 0.8607% (0.05 0.46 0.84) = 0.861% Peak 3793 (2.62, 0.69, 14.32 ppm): 10 chemical-shift based assignments, quality = 0.938, support = 3.08, residual support = 45.7: T HE3 LYS+ 20 - QD1 ILE 19 10.000% * 87.4383% (0.97 10.00 3.16 45.44) = 87.438% kept * HB2 PHE 34 - QD1 ILE 19 10.000% * 10.9643% (0.83 1.00 2.94 54.24) = 10.964% kept HG2 PRO 112 - QD1 ILE 19 10.000% * 0.8447% (0.14 1.00 1.36 1.03) = 0.845% HG2 MET 118 - QD1 ILE 19 10.000% * 0.6517% (0.72 1.00 0.20 0.02) = 0.652% HB2 ASP- 25 - QD1 ILE 19 10.000% * 0.0823% (0.91 1.00 0.02 0.02) = 0.082% HE3 LYS+ 20 - QD1 ILE 68 10.000% * 0.0051% (0.06 1.00 0.02 0.02) = 0.005% HB2 ASP- 25 - QD1 ILE 68 10.000% * 0.0048% (0.05 1.00 0.02 0.02) = 0.005% HB2 PHE 34 - QD1 ILE 68 10.000% * 0.0043% (0.05 1.00 0.02 0.84) = 0.004% HG2 MET 118 - QD1 ILE 68 10.000% * 0.0038% (0.04 1.00 0.02 0.02) = 0.004% HG2 PRO 112 - QD1 ILE 68 10.000% * 0.0007% (0.01 1.00 0.02 0.02) = 0.001% Peak 3794 (2.26, 0.69, 14.32 ppm): 24 chemical-shift based assignments, quality = 0.819, support = 0.928, residual support = 0.798: HG2 PRO 112 - QD1 ILE 19 4.167% * 42.3330% (0.96 1.00 1.36 1.03) = 42.333% kept HB3 PRO 112 - QD1 ILE 19 4.167% * 20.5672% (0.84 1.00 0.76 1.03) = 20.567% kept HB VAL 80 - QD1 ILE 19 4.167% * 11.4548% (0.97 1.00 0.37 0.02) = 11.455% kept HG3 GLN 16 - QD1 ILE 19 4.167% * 9.6585% (0.25 1.00 1.21 1.50) = 9.659% kept HB3 LYS+ 117 - QD1 ILE 19 4.167% * 9.2570% (0.94 1.00 0.31 0.02) = 9.257% kept HB3 ASN 15 - QD1 ILE 19 4.167% * 3.2284% (0.41 1.00 0.25 0.02) = 3.228% kept HB2 LYS+ 44 - QD1 ILE 19 4.167% * 1.0148% (0.41 1.00 0.08 0.02) = 1.015% kept HG3 GLU- 75 - QD1 ILE 19 4.167% * 0.6044% (0.94 1.00 0.02 0.02) = 0.604% HG3 GLU- 54 - QD1 ILE 19 4.167% * 0.5898% (0.91 1.00 0.02 0.02) = 0.590% HG3 GLU- 107 - QD1 ILE 19 4.167% * 0.5542% (0.86 1.00 0.02 0.02) = 0.554% HG3 GLU- 10 - QD1 ILE 19 4.167% * 0.1776% (0.27 1.00 0.02 0.02) = 0.178% T HB2 LYS+ 44 - QD1 ILE 68 4.167% * 0.1521% (0.02 10.00 0.02 0.17) = 0.152% HB3 GLU- 45 - QD1 ILE 19 4.167% * 0.1264% (0.20 1.00 0.02 0.02) = 0.126% HB VAL 80 - QD1 ILE 68 4.167% * 0.0363% (0.06 1.00 0.02 0.02) = 0.036% HG2 PRO 112 - QD1 ILE 68 4.167% * 0.0361% (0.06 1.00 0.02 0.02) = 0.036% HB3 LYS+ 117 - QD1 ILE 68 4.167% * 0.0350% (0.05 1.00 0.02 0.02) = 0.035% HG3 GLU- 75 - QD1 ILE 68 4.167% * 0.0350% (0.05 1.00 0.02 0.02) = 0.035% HG3 GLU- 54 - QD1 ILE 68 4.167% * 0.0341% (0.05 1.00 0.02 0.02) = 0.034% HG3 GLU- 107 - QD1 ILE 68 4.167% * 0.0321% (0.05 1.00 0.02 0.02) = 0.032% HB3 PRO 112 - QD1 ILE 68 4.167% * 0.0313% (0.05 1.00 0.02 0.02) = 0.031% HB3 ASN 15 - QD1 ILE 68 4.167% * 0.0152% (0.02 1.00 0.02 0.02) = 0.015% HG3 GLU- 10 - QD1 ILE 68 4.167% * 0.0103% (0.02 1.00 0.02 0.02) = 0.010% HG3 GLN 16 - QD1 ILE 68 4.167% * 0.0092% (0.01 1.00 0.02 0.02) = 0.009% HB3 GLU- 45 - QD1 ILE 68 4.167% * 0.0073% (0.01 1.00 0.02 0.02) = 0.007% Peak 3795 (2.77, 0.73, 14.31 ppm): 1 chemical-shift based assignment, quality = 0.306, support = 0.364, residual support = 0.54: HB2 ASN 119 - QD1 ILE 68 100.000% *100.0000% (0.31 0.36 0.54) = 100.000% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3796 (1.38, 0.73, 14.31 ppm): 12 chemical-shift based assignments, quality = 0.41, support = 4.15, residual support = 90.0: * O HG13 ILE 68 - QD1 ILE 68 8.333% * 95.7737% (0.42 10.0 4.23 92.61) = 95.774% kept HG LEU 67 - QD1 ILE 68 8.333% * 3.7248% (0.12 1.0 2.74 34.86) = 3.725% kept QG2 THR 39 - QD1 ILE 68 8.333% * 0.0968% (0.43 1.0 0.02 0.02) = 0.097% HG2 LYS+ 78 - QD1 ILE 68 8.333% * 0.0876% (0.39 1.0 0.02 0.02) = 0.088% HD3 LYS+ 20 - QD1 ILE 68 8.333% * 0.0632% (0.28 1.0 0.02 0.02) = 0.063% QB ALA 11 - QD1 ILE 68 8.333% * 0.0593% (0.26 1.0 0.02 0.02) = 0.059% HB3 LYS+ 20 - QD1 ILE 68 8.333% * 0.0553% (0.24 1.0 0.02 0.02) = 0.055% HB3 LEU 17 - QD1 ILE 68 8.333% * 0.0367% (0.16 1.0 0.02 0.02) = 0.037% QB ALA 93 - QD1 ILE 68 8.333% * 0.0302% (0.13 1.0 0.02 0.02) = 0.030% HG13 ILE 100 - QD1 ILE 68 8.333% * 0.0302% (0.13 1.0 0.02 0.93) = 0.030% HG3 LYS+ 81 - QD1 ILE 68 8.333% * 0.0272% (0.12 1.0 0.02 0.02) = 0.027% QB ALA 37 - QD1 ILE 68 8.333% * 0.0151% (0.07 1.0 0.02 0.02) = 0.015% Peak 3797 (1.63, 0.73, 14.31 ppm): 11 chemical-shift based assignments, quality = 0.404, support = 4.73, residual support = 90.0: * O HB ILE 68 - QD1 ILE 68 9.091% * 97.2112% (0.41 10.0 4.86 92.61) = 97.211% kept HG LEU 43 - QD1 ILE 68 9.091% * 1.6240% (0.41 1.0 0.33 0.61) = 1.624% kept HG2 ARG+ 22 - QD1 ILE 68 9.091% * 0.6939% (0.28 1.0 0.21 0.02) = 0.694% HG LEU 23 - QD1 ILE 68 9.091% * 0.1019% (0.43 1.0 0.02 0.02) = 0.102% HG12 ILE 101 - QD1 ILE 68 9.091% * 0.0992% (0.42 1.0 0.02 0.10) = 0.099% HB VAL 122 - QD1 ILE 68 9.091% * 0.0972% (0.41 1.0 0.02 0.02) = 0.097% HG3 LYS+ 78 - QD1 ILE 68 9.091% * 0.0746% (0.31 1.0 0.02 0.02) = 0.075% HG2 LYS+ 110 - QD1 ILE 68 9.091% * 0.0386% (0.16 1.0 0.02 0.02) = 0.039% HB3 PRO 52 - QD1 ILE 68 9.091% * 0.0256% (0.11 1.0 0.02 0.02) = 0.026% HG3 ARG+ 84 - QD1 ILE 68 9.091% * 0.0180% (0.08 1.0 0.02 0.39) = 0.018% HD3 LYS+ 32 - QD1 ILE 68 9.091% * 0.0159% (0.07 1.0 0.02 0.02) = 0.016% Peak 3798 (2.20, 0.83, 15.60 ppm): 30 chemical-shift based assignments, quality = 0.458, support = 1.23, residual support = 1.74: HG2 PRO 112 - QD1 ILE 29 3.333% * 19.8157% (0.98 0.66 0.85) = 19.816% kept HB2 GLU- 50 - QD1 ILE 29 3.333% * 14.6491% (0.37 1.28 0.13) = 14.649% kept HB2 GLU- 50 - QG1 VAL 13 3.333% * 14.4703% (0.37 1.28 0.13) = 14.470% kept HB2 PRO 52 - QG1 VAL 13 3.333% * 12.8635% (0.15 2.77 8.41) = 12.864% kept HB2 PRO 52 - QD1 ILE 29 3.333% * 12.3879% (0.15 2.64 3.61) = 12.388% kept HG2 PRO 112 - QG1 VAL 13 3.333% * 5.2784% (0.97 0.18 0.02) = 5.278% kept HB2 ASP- 82 - QG1 VAL 13 3.333% * 3.5572% (0.37 0.31 0.02) = 3.557% kept HG3 GLU- 18 - QG1 VAL 13 3.333% * 3.0999% (0.30 0.33 0.02) = 3.100% kept HB2 ASP- 82 - QD1 ILE 29 3.333% * 2.7915% (0.37 0.24 0.02) = 2.792% kept HB VAL 99 - QG1 VAL 13 3.333% * 2.7837% (0.59 0.15 0.02) = 2.784% kept HA1 GLY 58 - QG1 VAL 13 3.333% * 2.0472% (0.47 0.14 0.02) = 2.047% kept HB VAL 99 - QD1 ILE 29 3.333% * 1.4509% (0.60 0.08 0.02) = 1.451% kept HG2 MET 126 - QD1 ILE 29 3.333% * 0.6029% (0.98 0.02 0.02) = 0.603% HG2 MET 126 - QG1 VAL 13 3.333% * 0.5969% (0.97 0.02 0.02) = 0.597% HG3 MET 126 - QD1 ILE 29 3.333% * 0.3689% (0.60 0.02 0.02) = 0.369% HG3 MET 126 - QG1 VAL 13 3.333% * 0.3652% (0.59 0.02 0.02) = 0.365% HB3 PRO 104 - QD1 ILE 29 3.333% * 0.3444% (0.56 0.02 0.02) = 0.344% HB3 PRO 104 - QG1 VAL 13 3.333% * 0.3409% (0.55 0.02 0.02) = 0.341% HG3 MET 97 - QD1 ILE 29 3.333% * 0.2961% (0.48 0.02 0.02) = 0.296% HA1 GLY 58 - QD1 ILE 29 3.333% * 0.2961% (0.48 0.02 0.02) = 0.296% HG3 MET 97 - QG1 VAL 13 3.333% * 0.2931% (0.47 0.02 0.02) = 0.293% HG2 GLN 102 - QD1 ILE 29 3.333% * 0.2075% (0.34 0.02 0.02) = 0.207% HG2 GLN 102 - QG1 VAL 13 3.333% * 0.2054% (0.33 0.02 0.02) = 0.205% HG3 GLU- 18 - QD1 ILE 29 3.333% * 0.1877% (0.30 0.02 0.02) = 0.188% HG3 GLN 102 - QD1 ILE 29 3.333% * 0.1354% (0.22 0.02 0.02) = 0.135% HG3 GLN 102 - QG1 VAL 13 3.333% * 0.1341% (0.22 0.02 0.02) = 0.134% HB3 GLU- 75 - QD1 ILE 29 3.333% * 0.1223% (0.20 0.02 0.02) = 0.122% HB3 GLU- 75 - QG1 VAL 13 3.333% * 0.1210% (0.20 0.02 0.56) = 0.121% HG3 GLU- 109 - QD1 ILE 29 3.333% * 0.0938% (0.15 0.02 0.02) = 0.094% HG3 GLU- 109 - QG1 VAL 13 3.333% * 0.0929% (0.15 0.02 0.02) = 0.093% Peak 3799 (2.39, 0.83, 15.60 ppm): 8 chemical-shift based assignments, quality = 0.835, support = 2.37, residual support = 16.1: * HB3 ASP- 28 - QD1 ILE 29 12.500% * 59.9852% (0.97 3.40 26.71) = 59.985% kept HB3 GLU- 50 - QG1 VAL 13 12.500% * 11.6658% (0.51 1.24 0.13) = 11.666% kept HB3 GLU- 50 - QD1 ILE 29 12.500% * 9.5893% (0.52 1.01 0.13) = 9.589% kept HG2 PRO 112 - QD1 ILE 29 12.500% * 8.1222% (0.68 0.66 0.85) = 8.122% kept HB3 ASP- 28 - QG1 VAL 13 12.500% * 6.6751% (0.96 0.38 0.02) = 6.675% kept HG2 PRO 112 - QG1 VAL 13 12.500% * 2.1635% (0.67 0.18 0.02) = 2.164% kept HB2 LYS+ 78 - QD1 ILE 29 12.500% * 1.5014% (0.82 0.10 0.02) = 1.501% kept HB2 LYS+ 78 - QG1 VAL 13 12.500% * 0.2975% (0.81 0.02 0.02) = 0.298% Peak 3800 (2.76, 0.83, 15.60 ppm): 2 chemical-shift based assignments, quality = 0.478, support = 0.837, residual support = 0.854: HB2 ASN 119 - QD1 ILE 29 50.000% * 63.0171% (0.48 0.99 1.17) = 63.017% kept HB2 ASN 119 - QG1 VAL 13 50.000% * 36.9829% (0.47 0.58 0.32) = 36.983% kept Peak 3801 (7.21, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.872, support = 3.2, residual support = 8.67: HN TRP 51 - QG1 VAL 13 25.000% * 34.3707% (0.88 4.08 8.96) = 34.371% kept HN TRP 51 - QD1 ILE 29 25.000% * 29.3808% (0.94 3.26 8.35) = 29.381% kept * HH2 TRP 51 - QD1 ILE 29 25.000% * 18.5505% (0.84 2.29 8.35) = 18.550% kept HH2 TRP 51 - QG1 VAL 13 25.000% * 17.6981% (0.79 2.34 8.96) = 17.698% kept Peak 3802 (6.88, 0.83, 15.64 ppm): 8 chemical-shift based assignments, quality = 0.84, support = 1.2, residual support = 13.2: * QD PHE 21 - QD1 ILE 29 12.500% * 36.2727% (0.90 1.73 30.76) = 36.273% kept HD21 ASN 119 - QD1 ILE 29 12.500% * 30.1413% (0.97 1.33 1.17) = 30.141% kept HD21 ASN 119 - QG1 VAL 13 12.500% * 11.9315% (0.91 0.56 0.32) = 11.931% kept QD PHE 21 - QG1 VAL 13 12.500% * 7.3665% (0.84 0.38 0.02) = 7.367% kept HD22 ASN 15 - QD1 ILE 29 12.500% * 5.3273% (0.51 0.45 0.36) = 5.327% kept HZ PHE 21 - QD1 ILE 29 12.500% * 5.2881% (0.30 0.75 30.76) = 5.288% kept HZ PHE 21 - QG1 VAL 13 12.500% * 3.4488% (0.28 0.53 0.02) = 3.449% kept HD22 ASN 15 - QG1 VAL 13 12.500% * 0.2237% (0.48 0.02 0.52) = 0.224% Peak 3803 (6.74, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.825, support = 2.17, residual support = 8.04: * HZ3 TRP 51 - QD1 ILE 29 25.000% * 47.5620% (0.84 2.30 8.35) = 47.562% kept HZ3 TRP 51 - QG1 VAL 13 25.000% * 45.3818% (0.79 2.34 8.96) = 45.382% kept QE TYR 83 - QD1 ILE 29 25.000% * 5.3133% (0.96 0.22 0.02) = 5.313% kept QE TYR 83 - QG1 VAL 13 25.000% * 1.7429% (0.90 0.08 0.02) = 1.743% kept Peak 3804 (9.31, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.601, support = 3.99, residual support = 51.3: * HN ILE 29 - QD1 ILE 29 25.000% * 80.3973% (0.67 4.60 61.32) = 80.397% kept HN LEU 23 - QD1 ILE 29 25.000% * 13.9801% (0.27 1.97 14.52) = 13.980% kept HN ILE 29 - QG1 VAL 13 25.000% * 3.5438% (0.62 0.22 0.02) = 3.544% kept HN LEU 23 - QG1 VAL 13 25.000% * 2.0788% (0.25 0.31 0.02) = 2.079% kept Peak 3805 (3.87, 0.72, 16.73 ppm): 10 chemical-shift based assignments, quality = 0.719, support = 1.42, residual support = 2.37: * HA GLU- 45 - QG2 ILE 48 10.000% * 21.1348% (0.81 1.92 9.31) = 21.135% kept HB3 SER 27 - QG2 ILE 48 10.000% * 16.9023% (0.80 1.55 0.25) = 16.902% kept HA2 GLY 114 - QG2 ILE 48 10.000% * 14.3768% (0.68 1.55 0.79) = 14.377% kept HD3 PRO 35 - QG2 ILE 48 10.000% * 13.7139% (0.71 1.42 0.32) = 13.714% kept HB2 SER 85 - QG2 ILE 48 10.000% * 11.9647% (0.65 1.35 1.66) = 11.965% kept HD2 PRO 116 - QG2 ILE 48 10.000% * 8.2717% (0.65 0.93 0.02) = 8.272% kept HB3 SER 77 - QG2 ILE 48 10.000% * 6.8378% (0.68 0.74 0.02) = 6.838% kept HB3 SER 88 - QG2 ILE 48 10.000% * 6.0111% (0.62 0.71 0.02) = 6.011% kept HD2 PRO 86 - QG2 ILE 48 10.000% * 0.7568% (0.59 0.09 0.49) = 0.757% HA LYS+ 117 - QG2 ILE 48 10.000% * 0.0300% (0.11 0.02 0.02) = 0.030% Peak 3806 (4.06, 0.72, 16.73 ppm): 5 chemical-shift based assignments, quality = 0.441, support = 3.28, residual support = 28.2: T HB3 SER 49 - QG2 ILE 48 20.000% * 73.0708% (0.34 10.00 3.53 28.94) = 73.071% kept * HB2 SER 49 - QG2 ILE 48 20.000% * 24.1174% (0.77 1.00 2.87 28.94) = 24.117% kept HB3 SER 85 - QG2 ILE 48 20.000% * 1.7075% (0.53 1.00 0.30 1.66) = 1.707% kept HB THR 38 - QG2 ILE 48 20.000% * 0.9301% (0.82 1.00 0.10 0.02) = 0.930% HA VAL 125 - QG2 ILE 48 20.000% * 0.1742% (0.80 1.00 0.02 0.16) = 0.174% Peak 3807 (7.05, 0.02, 16.81 ppm): 2 chemical-shift based assignments, quality = 0.91, support = 1.61, residual support = 9.99: * T QE PHE 21 - QG2 ILE 19 50.000% * 99.8948% (0.91 10.00 1.61 10.00) = 99.895% kept QD TYR 83 - QG2 ILE 19 50.000% * 0.1052% (0.77 1.00 0.02 0.02) = 0.105% Peak 3808 (6.88, 0.02, 16.81 ppm): 4 chemical-shift based assignments, quality = 0.868, support = 2.37, residual support = 8.34: * QD PHE 21 - QG2 ILE 19 25.000% * 74.4513% (0.96 2.86 10.00) = 74.451% kept HD21 ASN 119 - QG2 ILE 19 25.000% * 9.0303% (0.93 0.36 0.02) = 9.030% kept HZ PHE 21 - QG2 ILE 19 25.000% * 8.8538% (0.17 1.94 10.00) = 8.854% kept HD22 ASN 15 - QG2 ILE 19 25.000% * 7.6646% (0.70 0.40 0.02) = 7.665% kept Peak 3809 (3.99, 0.02, 16.86 ppm): 4 chemical-shift based assignments, quality = 0.746, support = 3.92, residual support = 30.3: * T HB THR 95 - QG2 ILE 19 25.000% * 89.4627% (0.73 10.00 4.21 33.75) = 89.463% kept HA1 GLY 92 - QG2 ILE 19 25.000% * 9.4790% (0.96 1.00 1.59 0.71) = 9.479% kept HA THR 38 - QG2 ILE 19 25.000% * 1.0339% (0.53 1.00 0.32 0.02) = 1.034% kept HA VAL 13 - QG2 ILE 19 25.000% * 0.0244% (0.20 1.00 0.02 0.02) = 0.024% Peak 3810 (4.81, 1.48, 17.39 ppm): 4 chemical-shift based assignments, quality = 0.844, support = 0.02, residual support = 0.02: HA LEU 23 - QB ALA 70 25.000% * 32.9687% (0.94 0.02 0.02) = 32.969% kept HA GLU- 18 - QB ALA 70 25.000% * 30.6375% (0.88 0.02 0.02) = 30.638% kept HB THR 39 - QB ALA 70 25.000% * 29.6331% (0.85 0.02 0.02) = 29.633% kept HA ASN 15 - QB ALA 70 25.000% * 6.7606% (0.19 0.02 0.02) = 6.761% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 3811 (4.99, 1.48, 17.39 ppm): 4 chemical-shift based assignments, quality = 0.924, support = 2.13, residual support = 3.53: * HA SER 69 - QB ALA 70 25.000% * 83.1104% (0.97 2.45 4.25) = 83.110% kept HA ILE 68 - QB ALA 70 25.000% * 15.9287% (0.75 0.61 0.02) = 15.929% kept HA PRO 31 - QB ALA 70 25.000% * 0.5727% (0.82 0.02 0.02) = 0.573% HA MET 97 - QB ALA 70 25.000% * 0.3882% (0.55 0.02 0.02) = 0.388% Peak 3812 (7.97, 1.48, 17.39 ppm): 3 chemical-shift based assignments, quality = 0.481, support = 2.27, residual support = 2.09: * HN LYS+ 72 - QB ALA 70 33.333% * 86.8521% (0.44 2.59 2.40) = 86.852% kept HN LEU 43 - QB ALA 70 33.333% * 12.8516% (0.78 0.21 0.02) = 12.852% kept HN MET 126 - QB ALA 70 33.333% * 0.2963% (0.19 0.02 0.02) = 0.296% Peak 3813 (8.37, 1.48, 17.39 ppm): 4 chemical-shift based assignments, quality = 0.895, support = 3.54, residual support = 13.9: * HN GLY 71 - QB ALA 70 25.000% * 99.1978% (0.90 3.57 14.06) = 99.198% kept HN LYS+ 108 - QB ALA 70 25.000% * 0.3899% (0.63 0.02 0.02) = 0.390% HN ALA 103 - QB ALA 70 25.000% * 0.2262% (0.37 0.02 0.02) = 0.226% HN GLU- 109 - QB ALA 70 25.000% * 0.1860% (0.30 0.02 0.02) = 0.186% Peak 3814 (9.51, 1.48, 17.39 ppm): 2 chemical-shift based assignments, quality = 0.366, support = 2.88, residual support = 13.8: * O HN ALA 70 - QB ALA 70 50.000% * 99.7968% (0.37 10.0 2.89 13.82) = 99.797% kept HE1 TRP 51 - QB ALA 70 50.000% * 0.2032% (0.75 1.0 0.02 0.02) = 0.203% Peak 3815 (7.28, 0.94, 17.30 ppm): 1 chemical-shift based assignment, quality = 0.675, support = 0.917, residual support = 1.84: HN ILE 48 - QG2 ILE 29 100.000% *100.0000% (0.67 0.92 1.84) = 100.000% kept Peak 3816 (4.73, 0.94, 17.30 ppm): 5 chemical-shift based assignments, quality = 0.565, support = 2.42, residual support = 8.76: HA2 GLY 30 - QG2 ILE 29 20.000% * 75.3208% (0.55 3.05 11.57) = 75.321% kept HA LYS+ 20 - QG2 ILE 29 20.000% * 13.1160% (0.85 0.35 0.13) = 13.116% kept HA THR 61 - QG2 ILE 29 20.000% * 10.9436% (0.33 0.73 0.20) = 10.944% kept HA THR 39 - QG2 ILE 29 20.000% * 0.4252% (0.48 0.02 0.02) = 0.425% HA VAL 99 - QG2 ILE 29 20.000% * 0.1945% (0.22 0.02 0.02) = 0.194% Peak 3817 (4.79, 2.06, 16.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3818 (9.24, 0.86, 17.86 ppm): 1 chemical-shift based assignment, quality = 0.398, support = 4.14, residual support = 68.1: * HN ILE 100 - QG2 ILE 100 100.000% *100.0000% (0.40 4.14 68.06) = 100.000% kept Peak 3819 (8.17, 1.56, 18.43 ppm): 4 chemical-shift based assignments, quality = 0.942, support = 2.04, residual support = 10.1: * HN SER 41 - QB ALA 42 25.000% * 98.3409% (0.96 2.07 10.23) = 98.341% kept HN GLN 16 - QB ALA 42 25.000% * 0.8946% (0.90 0.02 0.02) = 0.895% HN SER 77 - QB ALA 42 25.000% * 0.5487% (0.55 0.02 0.02) = 0.549% HN ALA 33 - QB ALA 42 25.000% * 0.2158% (0.22 0.02 0.02) = 0.216% Peak 3820 (4.02, 1.43, 18.95 ppm): 5 chemical-shift based assignments, quality = 0.787, support = 0.938, residual support = 0.883: T HA THR 38 - QB ALA 91 20.000% * 97.9850% (0.79 10.00 0.96 0.90) = 97.985% kept HA VAL 13 - QB ALA 91 20.000% * 1.5694% (0.98 1.00 0.12 0.02) = 1.569% kept HB3 SER 49 - QB ALA 91 20.000% * 0.2395% (0.15 1.00 0.12 0.02) = 0.240% HB THR 95 - QB ALA 91 20.000% * 0.1554% (0.60 1.00 0.02 0.02) = 0.155% HB3 SER 85 - QB ALA 91 20.000% * 0.0507% (0.19 1.00 0.02 0.02) = 0.051% Peak 3821 (7.36, 1.14, 19.89 ppm): 1 chemical-shift based assignment, quality = 0.311, support = 1.36, residual support = 1.76: HE22 GLN 102 - QB ALA 33 100.000% *100.0000% (0.31 1.36 1.76) = 100.000% kept Peak 3822 (4.12, 0.91, 20.89 ppm): 18 chemical-shift based assignments, quality = 0.217, support = 1.84, residual support = 15.1: * O T HA LYS+ 110 - HG3 LYS+ 110 5.556% * 92.3952% (0.22 10.0 10.00 1.93 15.90) = 92.395% kept HB2 SER 88 - QG2 VAL 87 5.556% * 3.1762% (0.09 1.0 1.00 1.77 11.74) = 3.176% kept T HB3 SER 49 - HG3 LYS+ 110 5.556% * 1.4881% (0.36 1.0 10.00 0.02 0.02) = 1.488% kept T HB3 SER 49 - QG2 VAL 87 5.556% * 1.1737% (0.28 1.0 10.00 0.02 0.02) = 1.174% kept T HA LYS+ 110 - QG2 VAL 87 5.556% * 0.7288% (0.18 1.0 10.00 0.02 0.02) = 0.729% HA THR 46 - HG3 LYS+ 110 5.556% * 0.1416% (0.34 1.0 1.00 0.02 0.02) = 0.142% HA ARG+ 53 - HG3 LYS+ 110 5.556% * 0.1363% (0.33 1.0 1.00 0.02 0.02) = 0.136% HA THR 46 - QG2 VAL 87 5.556% * 0.1117% (0.27 1.0 1.00 0.02 0.02) = 0.112% HA ARG+ 53 - QG2 VAL 87 5.556% * 0.1075% (0.26 1.0 1.00 0.02 0.02) = 0.108% HA ALA 70 - HG3 LYS+ 110 5.556% * 0.0859% (0.21 1.0 1.00 0.02 0.02) = 0.086% HA2 GLY 71 - HG3 LYS+ 110 5.556% * 0.0794% (0.19 1.0 1.00 0.02 0.02) = 0.079% HA LYS+ 63 - HG3 LYS+ 110 5.556% * 0.0794% (0.19 1.0 1.00 0.02 0.02) = 0.079% HA ALA 70 - QG2 VAL 87 5.556% * 0.0677% (0.16 1.0 1.00 0.02 0.02) = 0.068% HA LYS+ 63 - QG2 VAL 87 5.556% * 0.0627% (0.15 1.0 1.00 0.02 0.02) = 0.063% HA2 GLY 71 - QG2 VAL 87 5.556% * 0.0627% (0.15 1.0 1.00 0.02 0.02) = 0.063% HB2 SER 88 - HG3 LYS+ 110 5.556% * 0.0454% (0.11 1.0 1.00 0.02 0.02) = 0.045% HA THR 24 - HG3 LYS+ 110 5.556% * 0.0323% (0.08 1.0 1.00 0.02 0.02) = 0.032% HA THR 24 - QG2 VAL 87 5.556% * 0.0255% (0.06 1.0 1.00 0.02 0.02) = 0.025% Peak 3823 (7.39, 0.70, 21.22 ppm): 4 chemical-shift based assignments, quality = 0.642, support = 2.61, residual support = 24.4: HN GLU- 64 - QG1 VAL 65 25.000% * 92.0380% (0.67 2.81 26.48) = 92.038% kept HN GLU- 64 - QG2 THR 96 25.000% * 4.7450% (0.28 0.35 0.02) = 4.745% kept HE22 GLN 102 - QG1 VAL 65 25.000% * 3.0544% (0.40 0.16 0.64) = 3.054% kept HE22 GLN 102 - QG2 THR 96 25.000% * 0.1627% (0.17 0.02 0.02) = 0.163% Peak 3824 (4.21, 0.70, 21.22 ppm): 16 chemical-shift based assignments, quality = 0.492, support = 2.12, residual support = 9.84: T HB3 SER 49 - QG1 VAL 65 6.250% * 55.3016% (0.68 1.0 10.00 1.33 0.10) = 55.302% kept * O T HA VAL 65 - QG1 VAL 65 6.250% * 32.9978% (0.27 10.0 10.00 4.05 29.62) = 32.998% kept T HA SER 49 - QG1 VAL 65 6.250% * 7.6489% (0.22 1.0 10.00 0.58 0.10) = 7.649% kept T HB3 SER 49 - QG2 THR 96 6.250% * 2.8900% (0.28 1.0 10.00 0.17 0.02) = 2.890% kept T HA VAL 73 - QG1 VAL 65 6.250% * 0.2642% (0.22 1.0 10.00 0.02 0.02) = 0.264% T HA GLU- 109 - QG2 THR 96 6.250% * 0.1847% (0.15 1.0 10.00 0.02 0.02) = 0.185% T HA VAL 65 - QG2 THR 96 6.250% * 0.1368% (0.11 1.0 10.00 0.02 0.02) = 0.137% HA ASP- 82 - QG1 VAL 65 6.250% * 0.1184% (0.97 1.0 1.00 0.02 0.02) = 0.118% T HA SER 49 - QG2 THR 96 6.250% * 0.1096% (0.09 1.0 10.00 0.02 0.02) = 0.110% T HA VAL 73 - QG2 THR 96 6.250% * 0.1096% (0.09 1.0 10.00 0.02 0.02) = 0.110% HA GLU- 12 - QG1 VAL 65 6.250% * 0.0815% (0.67 1.0 1.00 0.02 0.02) = 0.082% HA ASP- 82 - QG2 THR 96 6.250% * 0.0491% (0.40 1.0 1.00 0.02 0.02) = 0.049% HA GLU- 109 - QG1 VAL 65 6.250% * 0.0445% (0.37 1.0 1.00 0.02 0.02) = 0.045% HA GLU- 12 - QG2 THR 96 6.250% * 0.0338% (0.28 1.0 1.00 0.02 0.02) = 0.034% HA ALA 42 - QG1 VAL 65 6.250% * 0.0208% (0.17 1.0 1.00 0.02 0.02) = 0.021% HA ALA 42 - QG2 THR 96 6.250% * 0.0086% (0.07 1.0 1.00 0.02 0.02) = 0.009% Peak 3825 (4.38, 1.08, 21.52 ppm): 30 chemical-shift based assignments, quality = 0.585, support = 3.14, residual support = 26.4: * O HA THR 95 - QG2 THR 95 3.333% * 79.8375% (0.68 10.0 1.00 3.23 30.01) = 79.838% kept O T HB THR 61 - QG2 THR 61 3.333% * 11.2520% (0.10 10.0 10.00 3.68 17.56) = 11.252% kept HA LYS+ 60 - QG2 THR 61 3.333% * 3.3451% (0.15 1.0 1.00 3.79 15.13) = 3.345% kept HA LYS+ 60 - QG2 THR 95 3.333% * 1.7454% (0.75 1.0 1.00 0.39 0.02) = 1.745% kept HB THR 61 - QG2 THR 95 3.333% * 1.7081% (0.48 1.0 1.00 0.60 0.02) = 1.708% kept T HA ALA 37 - QG2 THR 95 3.333% * 1.0082% (0.85 1.0 10.00 0.02 0.02) = 1.008% kept T HA ALA 37 - QG2 THR 61 3.333% * 0.2005% (0.17 1.0 10.00 0.02 0.02) = 0.201% HA ALA 91 - QG2 THR 95 3.333% * 0.1160% (0.98 1.0 1.00 0.02 0.02) = 0.116% HA SER 88 - QG2 THR 95 3.333% * 0.1152% (0.98 1.0 1.00 0.02 0.02) = 0.115% HA SER 27 - QG2 THR 95 3.333% * 0.1042% (0.88 1.0 1.00 0.02 0.02) = 0.104% HA ASN 57 - QG2 THR 95 3.333% * 0.0844% (0.71 1.0 1.00 0.02 0.02) = 0.084% HA TRP 51 - QG2 THR 95 3.333% * 0.0844% (0.71 1.0 1.00 0.02 0.02) = 0.084% HA PRO 104 - QG2 THR 95 3.333% * 0.0658% (0.56 1.0 1.00 0.02 0.02) = 0.066% HA2 GLY 26 - QG2 THR 95 3.333% * 0.0436% (0.37 1.0 1.00 0.02 0.02) = 0.044% HA PRO 112 - QG2 THR 95 3.333% * 0.0436% (0.37 1.0 1.00 0.02 0.02) = 0.044% HA PRO 116 - QG2 THR 95 3.333% * 0.0359% (0.30 1.0 1.00 0.02 0.02) = 0.036% HA PRO 86 - QG2 THR 95 3.333% * 0.0290% (0.25 1.0 1.00 0.02 0.02) = 0.029% HA ALA 91 - QG2 THR 61 3.333% * 0.0231% (0.20 1.0 1.00 0.02 0.02) = 0.023% HA SER 88 - QG2 THR 61 3.333% * 0.0229% (0.19 1.0 1.00 0.02 0.02) = 0.023% HA SER 27 - QG2 THR 61 3.333% * 0.0207% (0.18 1.0 1.00 0.02 0.02) = 0.021% HA HIS+ 14 - QG2 THR 95 3.333% * 0.0179% (0.15 1.0 1.00 0.02 0.02) = 0.018% HA ASN 57 - QG2 THR 61 3.333% * 0.0168% (0.14 1.0 1.00 0.02 0.02) = 0.017% HA TRP 51 - QG2 THR 61 3.333% * 0.0168% (0.14 1.0 1.00 0.02 0.02) = 0.017% HA THR 95 - QG2 THR 61 3.333% * 0.0159% (0.13 1.0 1.00 0.02 0.02) = 0.016% HA PRO 104 - QG2 THR 61 3.333% * 0.0131% (0.11 1.0 1.00 0.02 0.02) = 0.013% HA PRO 112 - QG2 THR 61 3.333% * 0.0087% (0.07 1.0 1.00 0.02 0.11) = 0.009% HA2 GLY 26 - QG2 THR 61 3.333% * 0.0087% (0.07 1.0 1.00 0.02 0.02) = 0.009% HA PRO 116 - QG2 THR 61 3.333% * 0.0071% (0.06 1.0 1.00 0.02 0.02) = 0.007% HA PRO 86 - QG2 THR 61 3.333% * 0.0058% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA HIS+ 14 - QG2 THR 61 3.333% * 0.0036% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 3826 (4.87, 1.08, 21.52 ppm): 6 chemical-shift based assignments, quality = 0.591, support = 2.77, residual support = 22.0: HA THR 96 - QG2 THR 95 16.667% * 55.9634% (0.56 3.59 17.52) = 55.963% kept * HA ILE 19 - QG2 THR 95 16.667% * 36.2210% (0.64 2.03 33.75) = 36.221% kept HA ASP- 115 - QG2 THR 95 16.667% * 5.6778% (0.82 0.25 0.02) = 5.678% kept HA ILE 19 - QG2 THR 61 16.667% * 1.9843% (0.13 0.56 0.47) = 1.984% kept HA ASP- 115 - QG2 THR 61 16.667% * 0.0915% (0.16 0.02 0.02) = 0.092% HA THR 96 - QG2 THR 61 16.667% * 0.0620% (0.11 0.02 0.02) = 0.062% Peak 3828 (5.36, 1.38, 22.41 ppm): 1 chemical-shift based assignment, quality = 0.753, support = 4.69, residual support = 16.0: HA THR 79 - QG2 THR 39 100.000% *100.0000% (0.75 4.69 16.04) = 100.000% kept Peak 3829 (4.74, 1.10, 22.26 ppm): 4 chemical-shift based assignments, quality = 0.375, support = 2.14, residual support = 6.58: HA LYS+ 20 - QG2 THR 79 25.000% * 38.8426% (0.56 1.57 1.30) = 38.843% kept HA THR 39 - QG2 THR 79 25.000% * 37.2826% (0.25 3.36 16.04) = 37.283% kept HA2 GLY 30 - QG2 THR 79 25.000% * 16.8365% (0.31 1.25 0.20) = 16.837% kept HA THR 61 - QG2 THR 79 25.000% * 7.0382% (0.16 0.99 0.80) = 7.038% kept Peak 3830 (3.47, -0.11, 21.88 ppm): 6 chemical-shift based assignments, quality = 0.725, support = 2.02, residual support = 3.37: HA VAL 80 - QD1 LEU 43 16.667% * 31.3411% (0.74 2.59 4.17) = 31.341% kept * HA VAL 40 - QD1 LEU 43 16.667% * 28.2846% (0.71 2.46 4.76) = 28.285% kept HD3 PRO 31 - QD1 LEU 43 16.667% * 15.8055% (0.95 1.02 2.32) = 15.805% kept HA1 GLY 71 - QD1 LEU 43 16.667% * 11.1076% (0.97 0.70 0.14) = 11.108% kept HA VAL 62 - QD1 LEU 43 16.667% * 10.4494% (0.27 2.37 3.21) = 10.449% kept HA1 GLY 30 - QD1 LEU 43 16.667% * 3.0117% (0.19 0.96 0.10) = 3.012% kept Peak 3831 (2.59, -0.11, 21.88 ppm): 5 chemical-shift based assignments, quality = 0.517, support = 3.33, residual support = 27.7: * T HB2 PHE 34 - QD1 LEU 43 20.000% * 86.9378% (0.47 10.00 3.65 31.80) = 86.938% kept HB3 PRO 35 - QD1 LEU 43 20.000% * 11.2479% (0.92 1.00 1.33 0.14) = 11.248% kept HE3 LYS+ 20 - QD1 LEU 43 20.000% * 1.1466% (0.13 1.00 0.95 0.02) = 1.147% kept HG2 MET 118 - QD1 LEU 43 20.000% * 0.6354% (0.59 1.00 0.12 0.02) = 0.635% HG2 PRO 112 - QD1 LEU 43 20.000% * 0.0323% (0.18 1.00 0.02 0.02) = 0.032% Peak 3832 (2.44, 0.39, 21.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3833 (8.22, 0.68, 21.70 ppm): 20 chemical-shift based assignments, quality = 0.931, support = 3.57, residual support = 47.8: * HN VAL 94 - QG2 VAL 94 5.000% * 89.6812% (0.97 3.96 53.27) = 89.681% kept HN VAL 105 - QG2 VAL 94 5.000% * 5.6454% (0.97 0.25 0.02) = 5.645% kept HN LEU 67 - QG2 VAL 94 5.000% * 2.0182% (0.36 0.24 0.02) = 2.018% kept HN ALA 11 - QG2 VAL 94 5.000% * 0.4289% (0.92 0.02 0.02) = 0.429% HN GLU- 45 - QG2 VAL 94 5.000% * 0.4067% (0.87 0.02 0.02) = 0.407% HN SER 49 - QG2 VAL 94 5.000% * 0.2933% (0.63 0.02 0.02) = 0.293% HN GLY 58 - QG2 VAL 94 5.000% * 0.2207% (0.47 0.02 0.02) = 0.221% HN LYS+ 81 - QG2 VAL 94 5.000% * 0.1702% (0.36 0.02 0.28) = 0.170% HN VAL 94 - QG2 THR 96 5.000% * 0.1406% (0.30 0.02 0.56) = 0.141% HN VAL 105 - QG2 THR 96 5.000% * 0.1403% (0.30 0.02 0.02) = 0.140% HN ALA 11 - QG2 THR 96 5.000% * 0.1330% (0.28 0.02 0.02) = 0.133% HN GLU- 45 - QG2 THR 96 5.000% * 0.1261% (0.27 0.02 0.02) = 0.126% HN GLU- 12 - QG2 VAL 94 5.000% * 0.1261% (0.27 0.02 0.02) = 0.126% HN ALA 33 - QG2 VAL 94 5.000% * 0.1261% (0.27 0.02 0.02) = 0.126% HN SER 49 - QG2 THR 96 5.000% * 0.0910% (0.19 0.02 0.02) = 0.091% HN GLY 58 - QG2 THR 96 5.000% * 0.0684% (0.15 0.02 0.02) = 0.068% HN LEU 67 - QG2 THR 96 5.000% * 0.0528% (0.11 0.02 0.02) = 0.053% HN LYS+ 81 - QG2 THR 96 5.000% * 0.0528% (0.11 0.02 0.02) = 0.053% HN GLU- 12 - QG2 THR 96 5.000% * 0.0391% (0.08 0.02 0.02) = 0.039% HN ALA 33 - QG2 THR 96 5.000% * 0.0391% (0.08 0.02 0.02) = 0.039% Peak 3834 (4.26, 0.68, 21.72 ppm): 42 chemical-shift based assignments, quality = 0.715, support = 3.65, residual support = 48.5: * O HA VAL 94 - QG2 VAL 94 2.381% * 90.9363% (0.73 10.0 3.95 53.27) = 90.936% kept HA GLU- 56 - QG2 VAL 94 2.381% * 5.9473% (0.92 1.0 1.04 1.53) = 5.947% kept HA GLU- 64 - QG2 THR 96 2.381% * 0.9016% (0.27 1.0 0.53 0.02) = 0.902% HA SER 85 - QG2 VAL 94 2.381% * 0.5699% (0.76 1.0 0.12 0.02) = 0.570% HA GLU- 64 - QG2 VAL 94 2.381% * 0.1190% (0.95 1.0 0.02 0.02) = 0.119% HA GLU- 75 - QG2 VAL 94 2.381% * 0.1187% (0.95 1.0 0.02 0.02) = 0.119% HA ASN 119 - QG2 VAL 94 2.381% * 0.0994% (0.79 1.0 0.02 0.02) = 0.099% HA GLU- 107 - QG2 VAL 94 2.381% * 0.0994% (0.79 1.0 0.02 0.02) = 0.099% HA ARG+ 84 - QG2 VAL 94 2.381% * 0.0953% (0.76 1.0 0.02 0.02) = 0.095% HA ASN 76 - QG2 VAL 94 2.381% * 0.0953% (0.76 1.0 0.02 0.02) = 0.095% HA PRO 52 - QG2 VAL 94 2.381% * 0.0953% (0.76 1.0 0.02 0.02) = 0.095% HA ALA 11 - QG2 VAL 94 2.381% * 0.0864% (0.69 1.0 0.02 0.02) = 0.086% HA VAL 122 - QG2 VAL 94 2.381% * 0.0674% (0.54 1.0 0.02 0.02) = 0.067% HB3 SER 49 - QG2 THR 96 2.381% * 0.0663% (0.06 1.0 0.17 0.02) = 0.066% HA LEU 90 - QG2 VAL 94 2.381% * 0.0579% (0.46 1.0 0.02 0.02) = 0.058% HA PRO 59 - QG2 VAL 94 2.381% * 0.0579% (0.46 1.0 0.02 0.02) = 0.058% HB3 CYS 121 - QG2 VAL 94 2.381% * 0.0367% (0.29 1.0 0.02 0.02) = 0.037% HA GLU- 75 - QG2 THR 96 2.381% * 0.0337% (0.27 1.0 0.02 0.02) = 0.034% HA GLU- 56 - QG2 THR 96 2.381% * 0.0326% (0.26 1.0 0.02 0.02) = 0.033% HA GLU- 54 - QG2 VAL 94 2.381% * 0.0297% (0.24 1.0 0.02 0.02) = 0.030% HA LYS+ 108 - QG2 VAL 94 2.381% * 0.0297% (0.24 1.0 0.02 0.02) = 0.030% HA GLU- 10 - QG2 VAL 94 2.381% * 0.0297% (0.24 1.0 0.02 0.02) = 0.030% HA GLU- 107 - QG2 THR 96 2.381% * 0.0282% (0.23 1.0 0.02 0.02) = 0.028% HA ASN 119 - QG2 THR 96 2.381% * 0.0282% (0.23 1.0 0.02 0.02) = 0.028% HB3 SER 49 - QG2 VAL 94 2.381% * 0.0279% (0.22 1.0 0.02 0.02) = 0.028% HA ARG+ 84 - QG2 THR 96 2.381% * 0.0270% (0.22 1.0 0.02 0.02) = 0.027% HA PRO 52 - QG2 THR 96 2.381% * 0.0270% (0.22 1.0 0.02 0.02) = 0.027% HA SER 85 - QG2 THR 96 2.381% * 0.0270% (0.22 1.0 0.02 0.51) = 0.027% HA ASN 76 - QG2 THR 96 2.381% * 0.0270% (0.22 1.0 0.02 0.02) = 0.027% HA THR 106 - QG2 VAL 94 2.381% * 0.0265% (0.21 1.0 0.02 0.02) = 0.026% HA VAL 94 - QG2 THR 96 2.381% * 0.0258% (0.21 1.0 0.02 0.56) = 0.026% HA ALA 11 - QG2 THR 96 2.381% * 0.0245% (0.20 1.0 0.02 0.02) = 0.025% HA CYS 121 - QG2 VAL 94 2.381% * 0.0235% (0.19 1.0 0.02 0.02) = 0.024% HA VAL 122 - QG2 THR 96 2.381% * 0.0191% (0.15 1.0 0.02 0.02) = 0.019% HA LEU 90 - QG2 THR 96 2.381% * 0.0164% (0.13 1.0 0.02 0.02) = 0.016% HA PRO 59 - QG2 THR 96 2.381% * 0.0164% (0.13 1.0 0.02 0.02) = 0.016% HB3 CYS 121 - QG2 THR 96 2.381% * 0.0104% (0.08 1.0 0.02 0.02) = 0.010% HA GLU- 54 - QG2 THR 96 2.381% * 0.0084% (0.07 1.0 0.02 0.02) = 0.008% HA LYS+ 108 - QG2 THR 96 2.381% * 0.0084% (0.07 1.0 0.02 0.02) = 0.008% HA GLU- 10 - QG2 THR 96 2.381% * 0.0084% (0.07 1.0 0.02 0.02) = 0.008% HA THR 106 - QG2 THR 96 2.381% * 0.0075% (0.06 1.0 0.02 0.02) = 0.008% HA CYS 121 - QG2 THR 96 2.381% * 0.0067% (0.05 1.0 0.02 0.02) = 0.007% Peak 3835 (4.80, 0.92, 21.14 ppm): 12 chemical-shift based assignments, quality = 0.515, support = 0.505, residual support = 0.418: HA LEU 23 - QG2 VAL 87 8.333% * 28.9233% (0.66 0.47 0.45) = 28.923% kept HA GLU- 18 - HG3 LYS+ 110 8.333% * 24.0313% (0.72 0.36 0.02) = 24.031% kept HA ASN 15 - QG2 VAL 87 8.333% * 19.3654% (0.20 1.03 1.41) = 19.365% kept HA GLU- 18 - QG2 VAL 87 8.333% * 15.0841% (0.51 0.32 0.02) = 15.084% kept HA LEU 23 - QG2 VAL 105 8.333% * 5.2852% (0.16 0.36 0.12) = 5.285% kept HA ASN 15 - QG2 VAL 105 8.333% * 2.4600% (0.05 0.55 0.02) = 2.460% kept HA LEU 23 - HG3 LYS+ 110 8.333% * 1.7354% (0.94 0.02 0.02) = 1.735% kept HB THR 39 - HG3 LYS+ 110 8.333% * 1.2602% (0.68 0.02 0.02) = 1.260% kept HB THR 39 - QG2 VAL 87 8.333% * 0.8877% (0.48 0.02 0.02) = 0.888% HA ASN 15 - HG3 LYS+ 110 8.333% * 0.5356% (0.29 0.02 0.02) = 0.536% HA GLU- 18 - QG2 VAL 105 8.333% * 0.2214% (0.12 0.02 0.02) = 0.221% HB THR 39 - QG2 VAL 105 8.333% * 0.2104% (0.11 0.02 0.02) = 0.210% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3836 (7.99, 1.42, 21.50 ppm): 8 chemical-shift based assignments, quality = 0.859, support = 4.26, residual support = 19.9: HN LEU 43 - HD3 LYS+ 44 12.500% * 70.3560% (0.89 5.35 27.76) = 70.356% kept * HN LEU 43 - QG2 THR 38 12.500% * 23.8048% (0.81 1.98 1.45) = 23.805% kept HN MET 126 - HD3 LYS+ 44 12.500% * 5.3037% (0.74 0.49 0.02) = 5.304% kept HN MET 126 - QG2 THR 38 12.500% * 0.1990% (0.67 0.02 0.02) = 0.199% HN LYS+ 111 - HD3 LYS+ 44 12.500% * 0.0879% (0.30 0.02 0.02) = 0.088% HN SER 27 - HD3 LYS+ 44 12.500% * 0.0879% (0.30 0.02 0.02) = 0.088% HN SER 27 - QG2 THR 38 12.500% * 0.0804% (0.27 0.02 0.02) = 0.080% HN LYS+ 111 - QG2 THR 38 12.500% * 0.0804% (0.27 0.02 0.02) = 0.080% Peak 3837 (7.87, 1.42, 21.50 ppm): 8 chemical-shift based assignments, quality = 0.672, support = 3.75, residual support = 32.8: * HN THR 38 - QG2 THR 38 12.500% * 47.6234% (0.85 3.45 20.35) = 47.623% kept HN LYS+ 44 - HD3 LYS+ 44 12.500% * 40.9771% (0.51 4.98 56.31) = 40.977% kept HN LYS+ 44 - QG2 THR 38 12.500% * 6.4854% (0.46 0.86 0.02) = 6.485% kept HN LEU 90 - QG2 THR 38 12.500% * 2.9030% (0.64 0.28 0.02) = 2.903% kept HN THR 38 - HD3 LYS+ 44 12.500% * 1.1866% (0.93 0.08 0.02) = 1.187% kept HD22 ASN 89 - HD3 LYS+ 44 12.500% * 0.3121% (0.96 0.02 0.02) = 0.312% HD22 ASN 89 - QG2 THR 38 12.500% * 0.2852% (0.88 0.02 0.02) = 0.285% HN LEU 90 - HD3 LYS+ 44 12.500% * 0.2271% (0.70 0.02 0.02) = 0.227% Peak 3838 (7.73, 1.42, 21.50 ppm): 10 chemical-shift based assignments, quality = 0.843, support = 2.76, residual support = 4.19: * HN ALA 42 - QG2 THR 38 10.000% * 51.7318% (0.88 3.31 5.56) = 51.732% kept HN ALA 42 - HD3 LYS+ 44 10.000% * 38.3365% (0.96 2.24 2.23) = 38.336% kept HN ALA 37 - QG2 THR 38 10.000% * 8.6996% (0.22 2.23 5.32) = 8.700% kept HN VAL 125 - HD3 LYS+ 44 10.000% * 0.4245% (0.27 0.09 0.02) = 0.425% HN SER 124 - HD3 LYS+ 44 10.000% * 0.3412% (0.21 0.09 0.02) = 0.341% HN VAL 13 - HD3 LYS+ 44 10.000% * 0.1170% (0.33 0.02 0.02) = 0.117% HN VAL 13 - QG2 THR 38 10.000% * 0.1069% (0.30 0.02 0.02) = 0.107% HN VAL 125 - QG2 THR 38 10.000% * 0.0871% (0.24 0.02 0.02) = 0.087% HN ALA 37 - HD3 LYS+ 44 10.000% * 0.0855% (0.24 0.02 0.02) = 0.086% HN SER 124 - QG2 THR 38 10.000% * 0.0698% (0.20 0.02 0.02) = 0.070% Peak 3839 (8.36, 1.32, 21.76 ppm): 5 chemical-shift based assignments, quality = 0.815, support = 0.478, residual support = 0.156: HN ALA 103 - QG2 THR 46 20.000% * 46.3033% (0.83 0.72 0.31) = 46.303% kept HN LYS+ 108 - QG2 THR 46 20.000% * 21.4273% (0.99 0.28 0.02) = 21.427% kept HN GLU- 109 - QG2 THR 46 20.000% * 14.3230% (0.76 0.24 0.02) = 14.323% kept HN GLY 71 - QG2 THR 46 20.000% * 9.4195% (0.92 0.13 0.02) = 9.420% kept * HN GLU- 50 - QG2 THR 46 20.000% * 8.5269% (0.25 0.44 0.02) = 8.527% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3840 (8.24, 1.32, 21.76 ppm): 11 chemical-shift based assignments, quality = 0.828, support = 2.12, residual support = 3.57: HN LYS+ 81 - QG2 THR 46 9.091% * 39.5869% (1.00 3.15 3.54) = 39.587% kept * HN SER 49 - QG2 THR 46 9.091% * 15.6455% (0.89 1.39 0.02) = 15.646% kept HN GLU- 12 - QG2 THR 46 9.091% * 9.7420% (0.98 0.79 0.27) = 9.742% kept HN GLU- 45 - QG2 THR 46 9.091% * 8.5411% (0.17 3.88 24.18) = 8.541% kept HN VAL 105 - QG2 THR 46 9.091% * 8.1394% (0.34 1.90 0.88) = 8.139% kept HN LEU 67 - QG2 THR 46 9.091% * 7.9922% (1.00 0.64 0.02) = 7.992% kept HN GLY 58 - QG2 THR 46 9.091% * 5.2829% (0.98 0.43 0.02) = 5.283% kept HN THR 106 - QG2 THR 46 9.091% * 3.2855% (0.61 0.43 0.02) = 3.285% kept HN ALA 11 - QG2 THR 46 9.091% * 1.5580% (0.22 0.56 0.16) = 1.558% kept HN ASP- 115 - QG2 THR 46 9.091% * 0.1322% (0.53 0.02 0.02) = 0.132% HN VAL 94 - QG2 THR 46 9.091% * 0.0943% (0.37 0.02 0.02) = 0.094% Peak 3841 (8.23, 1.11, 21.74 ppm): 33 chemical-shift based assignments, quality = 0.131, support = 1.56, residual support = 7.88: HN VAL 94 - QG2 THR 95 3.030% * 34.0296% (0.12 2.66 22.32) = 34.030% kept * HN LYS+ 81 - QG2 THR 79 3.030% * 26.0663% (0.12 2.08 1.01) = 26.066% kept HN LYS+ 81 - QG2 THR 95 3.030% * 10.1993% (0.16 0.63 0.02) = 10.199% kept HN LEU 67 - QG2 THR 95 3.030% * 4.5708% (0.16 0.28 0.28) = 4.571% kept HN VAL 94 - QG2 THR 79 3.030% * 3.0482% (0.10 0.31 0.02) = 3.048% kept HN GLY 58 - QG2 THR 61 3.030% * 2.9842% (0.36 0.08 0.02) = 2.984% kept HN LEU 67 - QG2 THR 79 3.030% * 2.7302% (0.12 0.22 0.02) = 2.730% kept HN LYS+ 81 - QG2 THR 61 3.030% * 2.6368% (0.33 0.08 0.02) = 2.637% kept HN VAL 94 - QG2 THR 61 3.030% * 2.1826% (0.26 0.08 0.02) = 2.183% kept HN VAL 105 - QG2 THR 95 3.030% * 1.9216% (0.12 0.16 0.02) = 1.922% kept HN THR 106 - QG2 THR 79 3.030% * 1.8748% (0.04 0.42 0.02) = 1.875% kept HN ASP- 115 - QG2 THR 95 3.030% * 1.2216% (0.04 0.26 0.02) = 1.222% kept HN SER 49 - QG2 THR 61 3.030% * 0.7961% (0.38 0.02 0.02) = 0.796% HN LEU 67 - QG2 THR 61 3.030% * 0.6921% (0.33 0.02 0.02) = 0.692% HN GLU- 12 - QG2 THR 61 3.030% * 0.6097% (0.29 0.02 0.02) = 0.610% HN VAL 105 - QG2 THR 61 3.030% * 0.5161% (0.25 0.02 0.02) = 0.516% HN ALA 11 - QG2 THR 61 3.030% * 0.3883% (0.19 0.02 0.02) = 0.388% HN SER 49 - QG2 THR 95 3.030% * 0.3723% (0.18 0.02 0.02) = 0.372% HN GLY 58 - QG2 THR 95 3.030% * 0.3530% (0.17 0.02 0.02) = 0.353% HN GLU- 45 - QG2 THR 61 3.030% * 0.3280% (0.16 0.02 0.02) = 0.328% HN SER 49 - QG2 THR 79 3.030% * 0.2877% (0.14 0.02 0.02) = 0.288% HN GLU- 12 - QG2 THR 95 3.030% * 0.2851% (0.14 0.02 0.02) = 0.285% HN GLY 58 - QG2 THR 79 3.030% * 0.2727% (0.13 0.02 0.02) = 0.273% HN THR 106 - QG2 THR 61 3.030% * 0.2462% (0.12 0.02 0.02) = 0.246% HN GLU- 12 - QG2 THR 79 3.030% * 0.2203% (0.11 0.02 0.02) = 0.220% HN ASP- 115 - QG2 THR 61 3.030% * 0.1989% (0.10 0.02 0.02) = 0.199% HN VAL 105 - QG2 THR 79 3.030% * 0.1865% (0.09 0.02 0.02) = 0.187% HN ALA 11 - QG2 THR 95 3.030% * 0.1816% (0.09 0.02 0.02) = 0.182% HN GLU- 45 - QG2 THR 95 3.030% * 0.1534% (0.07 0.02 0.02) = 0.153% HN ALA 11 - QG2 THR 79 3.030% * 0.1403% (0.07 0.02 0.02) = 0.140% HN GLU- 45 - QG2 THR 79 3.030% * 0.1185% (0.06 0.02 0.02) = 0.119% HN THR 106 - QG2 THR 95 3.030% * 0.1152% (0.06 0.02 0.02) = 0.115% HN ASP- 115 - QG2 THR 79 3.030% * 0.0719% (0.03 0.02 0.02) = 0.072% Peak 3842 (7.83, 1.11, 21.74 ppm): 9 chemical-shift based assignments, quality = 0.352, support = 2.26, residual support = 2.82: * HN LYS+ 63 - QG2 THR 61 11.111% * 88.3439% (0.38 2.48 3.19) = 88.344% kept HN LYS+ 63 - QG2 THR 79 11.111% * 9.3281% (0.14 0.72 0.02) = 9.328% kept HN ALA 93 - QG2 THR 95 11.111% * 1.0919% (0.04 0.29 0.02) = 1.092% kept HN LYS+ 55 - QG2 THR 61 11.111% * 0.3755% (0.20 0.02 0.02) = 0.375% HN LYS+ 63 - QG2 THR 95 11.111% * 0.3330% (0.18 0.02 0.02) = 0.333% HN LYS+ 55 - QG2 THR 95 11.111% * 0.1756% (0.09 0.02 0.02) = 0.176% HN ALA 93 - QG2 THR 61 11.111% * 0.1589% (0.09 0.02 0.02) = 0.159% HN LYS+ 55 - QG2 THR 79 11.111% * 0.1357% (0.07 0.02 0.02) = 0.136% HN ALA 93 - QG2 THR 79 11.111% * 0.0574% (0.03 0.02 0.02) = 0.057% Peak 3843 (8.33, 0.59, 22.44 ppm): 7 chemical-shift based assignments, quality = 0.175, support = 2.53, residual support = 6.77: HN GLU- 50 - QD1 LEU 23 14.286% * 48.2485% (0.20 2.44 1.50) = 48.248% kept * HN VAL 99 - QD1 LEU 23 14.286% * 43.7413% (0.15 3.05 13.83) = 43.741% kept HN GLY 114 - QD1 LEU 23 14.286% * 6.0468% (0.23 0.26 0.02) = 6.047% kept HN ALA 103 - QD1 LEU 23 14.286% * 1.3084% (0.06 0.22 0.02) = 1.308% kept HN ASN 76 - QD1 LEU 23 14.286% * 0.4362% (0.22 0.02 0.02) = 0.436% HN GLU- 109 - QD1 LEU 23 14.286% * 0.1458% (0.07 0.02 0.02) = 0.146% HN ALA 91 - QD1 LEU 23 14.286% * 0.0729% (0.04 0.02 0.02) = 0.073% Peak 3844 (-0.04, -0.04, 22.27 ppm): 1 diagonal assignment: * QD1 LEU 74 - QD1 LEU 74 (0.90) kept Peak 3845 (-0.11, 1.42, 21.48 ppm): 2 chemical-shift based assignments, quality = 0.883, support = 3.06, residual support = 17.2: T QD1 LEU 43 - HD3 LYS+ 44 50.000% * 59.8156% (0.92 10.00 4.13 27.76) = 59.816% kept * T QD1 LEU 43 - QG2 THR 38 50.000% * 40.1844% (0.83 10.00 1.48 1.45) = 40.184% kept Peak 3846 (2.23, 1.32, 21.79 ppm): 14 chemical-shift based assignments, quality = 0.804, support = 2.0, residual support = 14.5: HB3 GLU- 45 - QG2 THR 46 7.143% * 59.8008% (0.75 3.10 24.18) = 59.801% kept HG2 PRO 112 - QG2 THR 46 7.143% * 13.2542% (0.99 0.52 0.02) = 13.254% kept HG3 GLU- 109 - QG2 THR 46 7.143% * 11.6207% (0.99 0.46 0.02) = 11.621% kept * HB2 GLU- 50 - QG2 THR 46 7.143% * 6.5550% (0.86 0.30 0.02) = 6.555% kept HG3 GLN 102 - QG2 THR 46 7.143% * 3.8812% (0.97 0.16 0.02) = 3.881% kept HG3 GLU- 10 - QG2 THR 46 7.143% * 2.1554% (0.64 0.13 0.02) = 2.155% kept HB2 PRO 52 - QG2 THR 46 7.143% * 0.5054% (0.99 0.02 0.02) = 0.505% HG3 GLU- 18 - QG2 THR 46 7.143% * 0.4665% (0.91 0.02 0.02) = 0.467% HA1 GLY 58 - QG2 THR 46 7.143% * 0.3862% (0.75 0.02 0.02) = 0.386% HG3 MET 97 - QG2 THR 46 7.143% * 0.3862% (0.75 0.02 0.02) = 0.386% HG3 GLN 16 - QG2 THR 46 7.143% * 0.3471% (0.68 0.02 0.02) = 0.347% HG3 MET 126 - QG2 THR 46 7.143% * 0.3269% (0.64 0.02 0.02) = 0.327% HB3 ASN 15 - QG2 THR 46 7.143% * 0.2460% (0.48 0.02 0.02) = 0.246% HG3 GLU- 107 - QG2 THR 46 7.143% * 0.0684% (0.13 0.02 0.02) = 0.068% Peak 3847 (1.67, 1.08, 21.47 ppm): 20 chemical-shift based assignments, quality = 0.804, support = 1.41, residual support = 6.38: HB3 LYS+ 66 - QG2 THR 95 5.000% * 34.7533% (0.97 1.57 0.90) = 34.753% kept HB3 MET 97 - QG2 THR 95 5.000% * 32.9071% (0.99 1.46 0.60) = 32.907% kept HG13 ILE 19 - QG2 THR 95 5.000% * 17.2353% (0.41 1.86 33.75) = 17.235% kept HG2 ARG+ 22 - QG2 THR 95 5.000% * 5.9685% (0.34 0.77 0.84) = 5.969% kept HB3 LYS+ 81 - QG2 THR 95 5.000% * 5.5731% (0.89 0.28 0.02) = 5.573% kept HG13 ILE 19 - QG2 THR 61 5.000% * 0.8546% (0.08 0.46 0.47) = 0.855% HB ILE 100 - QG2 THR 61 5.000% * 0.5361% (0.20 0.12 0.02) = 0.536% HB ILE 100 - QG2 THR 95 5.000% * 0.4476% (0.98 0.02 0.02) = 0.448% HB3 MET 126 - QG2 THR 95 5.000% * 0.4426% (0.97 0.02 0.02) = 0.443% HG3 ARG+ 84 - QG2 THR 95 5.000% * 0.3917% (0.86 0.02 0.02) = 0.392% HD3 LYS+ 55 - QG2 THR 95 5.000% * 0.2376% (0.52 0.02 0.02) = 0.238% HG2 PRO 52 - QG2 THR 95 5.000% * 0.1256% (0.28 0.02 0.02) = 0.126% HB3 MET 97 - QG2 THR 61 5.000% * 0.0896% (0.20 0.02 0.02) = 0.090% HB3 MET 126 - QG2 THR 61 5.000% * 0.0880% (0.19 0.02 0.02) = 0.088% HB3 LYS+ 66 - QG2 THR 61 5.000% * 0.0880% (0.19 0.02 0.02) = 0.088% HB3 LYS+ 81 - QG2 THR 61 5.000% * 0.0805% (0.18 0.02 0.02) = 0.081% HG3 ARG+ 84 - QG2 THR 61 5.000% * 0.0779% (0.17 0.02 0.02) = 0.078% HD3 LYS+ 55 - QG2 THR 61 5.000% * 0.0473% (0.10 0.02 0.02) = 0.047% HG2 ARG+ 22 - QG2 THR 61 5.000% * 0.0306% (0.07 0.02 0.02) = 0.031% HG2 PRO 52 - QG2 THR 61 5.000% * 0.0250% (0.05 0.02 0.02) = 0.025% Peak 3848 (1.83, 0.82, 21.38 ppm): 12 chemical-shift based assignments, quality = 0.241, support = 3.32, residual support = 40.9: * O T HB VAL 94 - QG1 VAL 94 8.333% * 76.8638% (0.17 10.0 10.00 4.17 53.27) = 76.864% kept HB2 LYS+ 66 - QG1 VAL 94 8.333% * 10.4757% (0.63 1.0 1.00 0.73 0.02) = 10.476% kept HB3 LYS+ 60 - QG1 VAL 94 8.333% * 4.1087% (0.37 1.0 1.00 0.49 0.02) = 4.109% kept HG3 LYS+ 108 - QG1 VAL 94 8.333% * 3.0825% (0.52 1.0 1.00 0.26 0.02) = 3.083% kept HB2 PRO 104 - QG1 VAL 94 8.333% * 1.7710% (0.31 1.0 1.00 0.25 0.02) = 1.771% kept T HB3 LYS+ 72 - QG1 VAL 94 8.333% * 1.5478% (0.34 1.0 10.00 0.02 0.02) = 1.548% kept HB2 GLU- 109 - QG1 VAL 94 8.333% * 1.2533% (0.31 1.0 1.00 0.18 0.02) = 1.253% kept HB2 PRO 59 - QG1 VAL 94 8.333% * 0.3452% (0.76 1.0 1.00 0.02 0.02) = 0.345% HD3 LYS+ 117 - QG1 VAL 94 8.333% * 0.2507% (0.55 1.0 1.00 0.02 0.02) = 0.251% HD3 LYS+ 72 - QG1 VAL 94 8.333% * 0.1816% (0.40 1.0 1.00 0.02 0.02) = 0.182% HD2 PRO 59 - QG1 VAL 94 8.333% * 0.0683% (0.15 1.0 1.00 0.02 0.02) = 0.068% HG2 PRO 112 - QG1 VAL 94 8.333% * 0.0511% (0.11 1.0 1.00 0.02 0.02) = 0.051% Peak 3849 (1.99, 0.82, 21.38 ppm): 13 chemical-shift based assignments, quality = 0.557, support = 0.975, residual support = 1.02: T HB2 LYS+ 108 - QG1 VAL 94 7.692% * 50.8641% (0.72 10.00 0.30 0.02) = 50.864% kept HB2 GLU- 18 - QG1 VAL 94 7.692% * 20.3318% (0.34 1.00 2.53 3.64) = 20.332% kept HB3 GLU- 56 - QG1 VAL 94 7.692% * 17.4563% (0.46 1.00 1.60 1.53) = 17.456% kept HB2 PRO 86 - QG1 VAL 94 7.692% * 5.4392% (0.61 1.00 0.38 0.02) = 5.439% kept T HB3 MET 118 - QG1 VAL 94 7.692% * 2.0332% (0.43 10.00 0.02 0.02) = 2.033% kept HB3 GLU- 75 - QG1 VAL 94 7.692% * 1.7077% (0.15 1.00 0.49 0.02) = 1.708% kept HB2 HIS+ 14 - QG1 VAL 94 7.692% * 0.8017% (0.43 1.00 0.08 0.02) = 0.802% HG3 PRO 104 - QG1 VAL 94 7.692% * 0.6897% (0.37 1.00 0.08 0.02) = 0.690% HG2 PRO 112 - QG1 VAL 94 7.692% * 0.1842% (0.39 1.00 0.02 0.02) = 0.184% HG3 PRO 112 - QG1 VAL 94 7.692% * 0.1748% (0.37 1.00 0.02 0.02) = 0.175% HB VAL 73 - QG1 VAL 94 7.692% * 0.1476% (0.31 1.00 0.02 0.02) = 0.148% HG2 PRO 116 - QG1 VAL 94 7.692% * 0.0895% (0.19 1.00 0.02 0.02) = 0.090% HB3 GLU- 107 - QG1 VAL 94 7.692% * 0.0800% (0.17 1.00 0.02 0.02) = 0.080% Peak 3850 (4.01, 0.82, 21.38 ppm): 4 chemical-shift based assignments, quality = 0.671, support = 2.76, residual support = 20.8: * HB THR 95 - QG1 VAL 94 25.000% * 93.0329% (0.68 1.00 2.97 22.32) = 93.033% kept T HA VAL 13 - QG1 VAL 94 25.000% * 6.0592% (0.66 10.00 0.02 0.02) = 6.059% kept HA THR 38 - QG1 VAL 94 25.000% * 0.6923% (0.75 1.00 0.02 0.02) = 0.692% HA1 GLY 92 - QG1 VAL 94 25.000% * 0.2156% (0.23 1.00 0.02 0.02) = 0.216% Peak 3851 (3.89, 0.92, 21.03 ppm): 20 chemical-shift based assignments, quality = 0.321, support = 0.889, residual support = 8.0: * HD2 PRO 86 - QG2 VAL 87 5.000% * 33.9536% (0.43 1.00 1.52 20.31) = 33.954% kept T HB2 SER 85 - QG2 VAL 87 5.000% * 24.6791% (0.09 10.00 0.53 0.12) = 24.679% kept HD2 PRO 116 - HG3 LYS+ 110 5.000% * 9.6674% (0.75 1.00 0.25 0.02) = 9.667% kept HB3 SER 88 - QG2 VAL 87 5.000% * 8.7711% (0.08 1.00 2.12 11.74) = 8.771% kept HA GLU- 45 - HG3 LYS+ 110 5.000% * 6.9293% (0.37 1.00 0.36 0.11) = 6.929% kept T HB3 SER 27 - HG3 LYS+ 110 5.000% * 3.5419% (0.34 10.00 0.02 0.02) = 3.542% kept HD2 PRO 86 - HG3 LYS+ 110 5.000% * 3.1053% (0.79 1.00 0.08 0.02) = 3.105% kept HA GLU- 45 - QG2 VAL 87 5.000% * 2.0089% (0.20 1.00 0.19 1.57) = 2.009% kept T HB3 SER 27 - QG2 VAL 87 5.000% * 1.9427% (0.19 10.00 0.02 0.02) = 1.943% kept T HB2 SER 85 - HG3 LYS+ 110 5.000% * 1.7050% (0.16 10.00 0.02 0.02) = 1.705% kept HB2 SER 77 - QG2 VAL 87 5.000% * 0.7550% (0.19 1.00 0.08 0.02) = 0.755% HD3 PRO 35 - HG3 LYS+ 110 5.000% * 0.7196% (0.69 1.00 0.02 0.02) = 0.720% HD2 PRO 116 - QG2 VAL 87 5.000% * 0.4238% (0.41 1.00 0.02 0.02) = 0.424% HB3 SER 77 - QG2 VAL 87 5.000% * 0.4089% (0.10 1.00 0.08 0.02) = 0.409% HD3 PRO 35 - QG2 VAL 87 5.000% * 0.3947% (0.38 1.00 0.02 0.02) = 0.395% HB2 SER 77 - HG3 LYS+ 110 5.000% * 0.3542% (0.34 1.00 0.02 0.02) = 0.354% HA2 GLY 114 - HG3 LYS+ 110 5.000% * 0.1918% (0.18 1.00 0.02 0.02) = 0.192% HB3 SER 77 - HG3 LYS+ 110 5.000% * 0.1918% (0.18 1.00 0.02 0.02) = 0.192% HB3 SER 88 - HG3 LYS+ 110 5.000% * 0.1509% (0.15 1.00 0.02 0.02) = 0.151% HA2 GLY 114 - QG2 VAL 87 5.000% * 0.1052% (0.10 1.00 0.02 0.02) = 0.105% Peak 3852 (1.86, 0.68, 21.81 ppm): 22 chemical-shift based assignments, quality = 0.7, support = 3.57, residual support = 51.4: * O HB VAL 94 - QG2 VAL 94 4.545% * 96.4690% (0.71 10.0 3.69 53.27) = 96.469% kept HB3 LYS+ 60 - QG2 VAL 94 4.545% * 1.8337% (0.63 1.0 0.42 0.02) = 1.834% kept HB2 PRO 104 - QG2 VAL 94 4.545% * 1.1613% (0.67 1.0 0.25 0.02) = 1.161% kept HD2 PRO 59 - QG2 VAL 94 4.545% * 0.0958% (0.70 1.0 0.02 0.02) = 0.096% HB3 LYS+ 72 - QG2 VAL 94 4.545% * 0.0893% (0.65 1.0 0.02 0.02) = 0.089% HB3 ARG+ 84 - QG2 VAL 94 4.545% * 0.0586% (0.43 1.0 0.02 0.02) = 0.059% HB2 LYS+ 66 - QG2 VAL 94 4.545% * 0.0547% (0.40 1.0 0.02 0.02) = 0.055% HD3 PRO 52 - QG2 VAL 94 4.545% * 0.0547% (0.40 1.0 0.02 0.02) = 0.055% HG3 LYS+ 120 - QG2 VAL 94 4.545% * 0.0330% (0.24 1.0 0.02 0.02) = 0.033% HB2 PRO 59 - QG2 VAL 94 4.545% * 0.0241% (0.18 1.0 0.02 0.02) = 0.024% HG2 PRO 112 - QG2 VAL 94 4.545% * 0.0181% (0.13 1.0 0.02 0.02) = 0.018% HB VAL 94 - QG2 THR 96 4.545% * 0.0148% (0.11 1.0 0.02 0.56) = 0.015% HD2 PRO 59 - QG2 THR 96 4.545% * 0.0147% (0.11 1.0 0.02 0.02) = 0.015% HB2 PRO 104 - QG2 THR 96 4.545% * 0.0140% (0.10 1.0 0.02 0.02) = 0.014% HB3 LYS+ 72 - QG2 THR 96 4.545% * 0.0137% (0.10 1.0 0.02 0.02) = 0.014% HB3 LYS+ 60 - QG2 THR 96 4.545% * 0.0133% (0.10 1.0 0.02 0.02) = 0.013% HB3 ARG+ 84 - QG2 THR 96 4.545% * 0.0090% (0.07 1.0 0.02 0.02) = 0.009% HB2 LYS+ 66 - QG2 THR 96 4.545% * 0.0084% (0.06 1.0 0.02 0.02) = 0.008% HD3 PRO 52 - QG2 THR 96 4.545% * 0.0084% (0.06 1.0 0.02 0.02) = 0.008% HG3 LYS+ 120 - QG2 THR 96 4.545% * 0.0050% (0.04 1.0 0.02 0.02) = 0.005% HB2 PRO 59 - QG2 THR 96 4.545% * 0.0037% (0.03 1.0 0.02 0.02) = 0.004% HG2 PRO 112 - QG2 THR 96 4.545% * 0.0028% (0.02 1.0 0.02 0.02) = 0.003% Peak 3853 (1.37, 0.70, 21.81 ppm): 21 chemical-shift based assignments, quality = 0.434, support = 1.76, residual support = 4.65: T HB3 LEU 17 - QG2 VAL 94 4.762% * 41.5527% (0.48 10.00 2.33 7.18) = 41.553% kept T HB3 LYS+ 20 - QG2 VAL 94 4.762% * 34.5904% (0.51 10.00 1.57 4.01) = 34.590% kept * T HB3 LYS+ 20 - QG2 THR 96 4.762% * 13.0073% (0.27 10.00 1.13 1.81) = 13.007% kept T HB3 LEU 17 - QG2 THR 96 4.762% * 8.2319% (0.25 10.00 0.75 0.22) = 8.232% kept QG2 THR 39 - QG1 VAL 40 4.762% * 1.0781% (0.08 1.00 3.12 2.95) = 1.078% kept QG2 THR 39 - QG2 VAL 94 4.762% * 0.7414% (0.33 1.00 0.52 0.02) = 0.741% QG2 THR 39 - QG2 THR 96 4.762% * 0.4664% (0.17 1.00 0.62 0.02) = 0.466% HG13 ILE 68 - QG2 VAL 94 4.762% * 0.0860% (0.23 1.00 0.09 0.02) = 0.086% QB ALA 11 - QG2 VAL 94 4.762% * 0.0438% (0.51 1.00 0.02 0.02) = 0.044% HG3 LYS+ 81 - QG2 VAL 94 4.762% * 0.0381% (0.44 1.00 0.02 0.28) = 0.038% HG2 LYS+ 78 - QG2 VAL 94 4.762% * 0.0367% (0.43 1.00 0.02 0.02) = 0.037% QB ALA 11 - QG2 THR 96 4.762% * 0.0231% (0.27 1.00 0.02 0.02) = 0.023% HG3 LYS+ 81 - QG2 THR 96 4.762% * 0.0201% (0.23 1.00 0.02 0.02) = 0.020% HG2 LYS+ 78 - QG2 THR 96 4.762% * 0.0193% (0.22 1.00 0.02 0.02) = 0.019% HB3 LYS+ 20 - QG1 VAL 40 4.762% * 0.0107% (0.12 1.00 0.02 0.02) = 0.011% QB ALA 11 - QG1 VAL 40 4.762% * 0.0107% (0.12 1.00 0.02 0.02) = 0.011% HG13 ILE 68 - QG2 THR 96 4.762% * 0.0104% (0.12 1.00 0.02 0.02) = 0.010% HB3 LEU 17 - QG1 VAL 40 4.762% * 0.0101% (0.12 1.00 0.02 0.02) = 0.010% HG3 LYS+ 81 - QG1 VAL 40 4.762% * 0.0093% (0.11 1.00 0.02 0.02) = 0.009% HG2 LYS+ 78 - QG1 VAL 40 4.762% * 0.0089% (0.10 1.00 0.02 0.43) = 0.009% HG13 ILE 68 - QG1 VAL 40 4.762% * 0.0048% (0.06 1.00 0.02 0.02) = 0.005% Peak 3854 (1.98, 0.68, 21.81 ppm): 28 chemical-shift based assignments, quality = 0.408, support = 1.1, residual support = 1.22: HB3 GLU- 56 - QG2 VAL 94 3.571% * 39.9300% (0.59 1.00 1.51 1.53) = 39.930% kept T HB3 GLU- 75 - QG2 VAL 94 3.571% * 23.1854% (0.11 10.00 0.46 0.02) = 23.185% kept HB2 GLU- 18 - QG2 VAL 94 3.571% * 16.5342% (0.18 1.00 2.10 3.64) = 16.534% kept HB2 LYS+ 108 - QG2 VAL 94 3.571% * 8.2027% (0.71 1.00 0.26 0.02) = 8.203% kept HB2 PRO 86 - QG2 VAL 94 3.571% * 7.2388% (0.68 1.00 0.24 0.02) = 7.239% kept HG3 PRO 104 - QG2 VAL 94 3.571% * 1.8441% (0.51 1.00 0.08 0.02) = 1.844% kept HB3 GLU- 109 - QG2 VAL 94 3.571% * 0.7467% (0.18 1.00 0.09 0.02) = 0.747% HB VAL 73 - QG2 VAL 94 3.571% * 0.4091% (0.46 1.00 0.02 0.02) = 0.409% HG2 PRO 112 - QG2 VAL 94 3.571% * 0.3131% (0.35 1.00 0.02 0.02) = 0.313% HB3 MET 118 - QG2 VAL 94 3.571% * 0.2157% (0.24 1.00 0.02 0.02) = 0.216% HB2 HIS+ 14 - QG2 VAL 94 3.571% * 0.2157% (0.24 1.00 0.02 0.02) = 0.216% HG3 PRO 112 - QG2 VAL 94 3.571% * 0.1759% (0.20 1.00 0.02 0.02) = 0.176% T HB3 GLU- 75 - QG2 THR 96 3.571% * 0.1553% (0.02 10.00 0.02 0.02) = 0.155% HB VAL 13 - QG2 VAL 94 3.571% * 0.1108% (0.12 1.00 0.02 0.02) = 0.111% HG3 PRO 116 - QG2 VAL 94 3.571% * 0.0976% (0.11 1.00 0.02 0.02) = 0.098% HB2 LYS+ 108 - QG2 THR 96 3.571% * 0.0966% (0.11 1.00 0.02 0.02) = 0.097% HB2 PRO 86 - QG2 THR 96 3.571% * 0.0934% (0.10 1.00 0.02 0.02) = 0.093% HB3 GLU- 56 - QG2 THR 96 3.571% * 0.0809% (0.09 1.00 0.02 0.02) = 0.081% HG3 PRO 104 - QG2 THR 96 3.571% * 0.0703% (0.08 1.00 0.02 0.02) = 0.070% HB VAL 73 - QG2 THR 96 3.571% * 0.0626% (0.07 1.00 0.02 0.02) = 0.063% HG2 PRO 112 - QG2 THR 96 3.571% * 0.0479% (0.05 1.00 0.02 0.02) = 0.048% HB2 HIS+ 14 - QG2 THR 96 3.571% * 0.0330% (0.04 1.00 0.02 0.02) = 0.033% HB3 MET 118 - QG2 THR 96 3.571% * 0.0330% (0.04 1.00 0.02 0.02) = 0.033% HG3 PRO 112 - QG2 THR 96 3.571% * 0.0269% (0.03 1.00 0.02 0.02) = 0.027% HB3 GLU- 109 - QG2 THR 96 3.571% * 0.0241% (0.03 1.00 0.02 0.02) = 0.024% HB2 GLU- 18 - QG2 THR 96 3.571% * 0.0241% (0.03 1.00 0.02 0.02) = 0.024% HB VAL 13 - QG2 THR 96 3.571% * 0.0170% (0.02 1.00 0.02 0.02) = 0.017% HG3 PRO 116 - QG2 THR 96 3.571% * 0.0149% (0.02 1.00 0.02 0.02) = 0.015% Peak 3855 (1.45, 0.70, 21.32 ppm): 39 chemical-shift based assignments, quality = 0.55, support = 0.432, residual support = 0.485: HG13 ILE 48 - QG1 VAL 65 2.564% * 36.0792% (0.66 0.81 1.27) = 36.079% kept HG13 ILE 48 - QG2 THR 96 2.564% * 13.8826% (0.54 0.38 0.02) = 13.883% kept HG3 LYS+ 60 - QG2 THR 96 2.564% * 12.4157% (0.64 0.29 0.02) = 12.416% kept HG2 PRO 59 - QG2 THR 96 2.564% * 11.0084% (0.64 0.26 0.02) = 11.008% kept HG2 PRO 59 - QG1 VAL 65 2.564% * 5.4551% (0.78 0.10 0.02) = 5.455% kept HG3 ARG+ 22 - QG1 VAL 65 2.564% * 4.0861% (0.37 0.16 0.02) = 4.086% kept HG3 ARG+ 22 - QG2 THR 96 2.564% * 3.7868% (0.30 0.19 0.02) = 3.787% kept HB3 LEU 67 - QG1 VAL 65 2.564% * 2.3017% (0.40 0.09 0.72) = 2.302% kept HG3 LYS+ 60 - QG1 VAL 65 2.564% * 1.0478% (0.78 0.02 0.02) = 1.048% kept HG3 ARG+ 22 - QG2 VAL 94 2.564% * 0.8896% (0.08 0.16 0.02) = 0.890% HG LEU 90 - QG1 VAL 65 2.564% * 0.8465% (0.63 0.02 0.02) = 0.846% HG LEU 90 - QG2 THR 96 2.564% * 0.6958% (0.52 0.02 0.02) = 0.696% HG3 PRO 52 - QG1 VAL 65 2.564% * 0.6271% (0.47 0.02 0.02) = 0.627% HG3 LYS+ 113 - QG1 VAL 65 2.564% * 0.5828% (0.43 0.02 0.02) = 0.583% HG3 PRO 52 - QG2 THR 96 2.564% * 0.5155% (0.38 0.02 0.02) = 0.515% HG3 LYS+ 55 - QG1 VAL 65 2.564% * 0.4966% (0.37 0.02 0.02) = 0.497% HG3 LYS+ 113 - QG2 THR 96 2.564% * 0.4790% (0.36 0.02 0.02) = 0.479% HD3 LYS+ 113 - QG1 VAL 65 2.564% * 0.4554% (0.34 0.02 0.02) = 0.455% HB3 LEU 67 - QG2 THR 96 2.564% * 0.4432% (0.33 0.02 0.02) = 0.443% HG3 LYS+ 55 - QG2 THR 96 2.564% * 0.4082% (0.30 0.02 0.02) = 0.408% HD3 LYS+ 113 - QG2 THR 96 2.564% * 0.3743% (0.28 0.02 0.02) = 0.374% QG2 THR 38 - QG1 VAL 65 2.564% * 0.3419% (0.25 0.02 0.02) = 0.342% QG2 THR 38 - QG2 THR 96 2.564% * 0.2810% (0.21 0.02 0.02) = 0.281% QB ALA 91 - QG1 VAL 65 2.564% * 0.2762% (0.21 0.02 0.02) = 0.276% HG2 PRO 59 - QG2 VAL 94 2.564% * 0.2345% (0.17 0.02 0.02) = 0.234% HG3 LYS+ 60 - QG2 VAL 94 2.564% * 0.2345% (0.17 0.02 0.02) = 0.234% QB ALA 91 - QG2 THR 96 2.564% * 0.2270% (0.17 0.02 0.02) = 0.227% HG13 ILE 48 - QG2 VAL 94 2.564% * 0.1985% (0.15 0.02 0.02) = 0.198% HD3 LYS+ 44 - QG1 VAL 65 2.564% * 0.1940% (0.14 0.02 0.02) = 0.194% HG LEU 90 - QG2 VAL 94 2.564% * 0.1894% (0.14 0.02 0.02) = 0.189% HD3 LYS+ 44 - QG2 THR 96 2.564% * 0.1595% (0.12 0.02 0.02) = 0.159% HG3 PRO 52 - QG2 VAL 94 2.564% * 0.1403% (0.10 0.02 0.02) = 0.140% HG3 LYS+ 113 - QG2 VAL 94 2.564% * 0.1304% (0.10 0.02 0.02) = 0.130% HB3 LEU 67 - QG2 VAL 94 2.564% * 0.1207% (0.09 0.02 0.02) = 0.121% HG3 LYS+ 55 - QG2 VAL 94 2.564% * 0.1111% (0.08 0.02 0.02) = 0.111% HD3 LYS+ 113 - QG2 VAL 94 2.564% * 0.1019% (0.08 0.02 0.02) = 0.102% QG2 THR 38 - QG2 VAL 94 2.564% * 0.0765% (0.06 0.02 0.02) = 0.077% QB ALA 91 - QG2 VAL 94 2.564% * 0.0618% (0.05 0.02 0.02) = 0.062% HD3 LYS+ 44 - QG2 VAL 94 2.564% * 0.0434% (0.03 0.02 0.02) = 0.043% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3856 (8.18, 0.73, 22.10 ppm): 5 chemical-shift based assignments, quality = 0.581, support = 2.49, residual support = 15.3: * HN SER 41 - QG1 VAL 40 20.000% * 61.8730% (0.47 3.60 24.52) = 61.873% kept HN ALA 33 - QG1 VAL 40 20.000% * 20.7899% (0.74 0.77 0.38) = 20.790% kept HN GLN 16 - QG1 VAL 40 20.000% * 17.1181% (0.80 0.58 0.22) = 17.118% kept HN GLU- 45 - QG1 VAL 40 20.000% * 0.1235% (0.17 0.02 0.02) = 0.124% HN ALA 11 - QG1 VAL 40 20.000% * 0.0954% (0.13 0.02 0.02) = 0.095% Peak 3857 (8.73, 0.73, 22.10 ppm): 4 chemical-shift based assignments, quality = 0.53, support = 3.34, residual support = 31.7: * HN VAL 40 - QG1 VAL 40 25.000% * 73.1225% (0.43 4.35 43.10) = 73.123% kept HN GLU- 56 - QG1 VAL 40 25.000% * 22.1283% (0.80 0.71 0.53) = 22.128% kept HN ILE 101 - QG1 VAL 40 25.000% * 4.6476% (0.77 0.15 0.59) = 4.648% kept HN VAL 62 - QG1 VAL 40 25.000% * 0.1015% (0.13 0.02 0.02) = 0.102% Peak 3859 (2.75, 0.58, 22.45 ppm): 2 chemical-shift based assignments, quality = 0.133, support = 1.8, residual support = 5.29: HB3 ASP- 115 - QD1 LEU 23 50.000% * 85.0008% (0.14 2.01 5.60) = 85.001% kept HB3 PHE 21 - QD1 LEU 23 50.000% * 14.9992% (0.08 0.65 3.50) = 14.999% kept Peak 3860 (2.95, 0.58, 22.45 ppm): 2 chemical-shift based assignments, quality = 0.0764, support = 0.416, residual support = 2.84: HB2 PHE 21 - QD1 LEU 23 50.000% * 81.0504% (0.09 0.45 3.50) = 81.050% kept HE3 LYS+ 60 - QD1 LEU 23 50.000% * 18.9496% (0.03 0.27 0.02) = 18.950% kept Not enough quality. Peak unassigned. Peak 3861 (9.37, 1.54, 22.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN THR 24 - QG2 THR 24 Peak unassigned. Peak 3862 (8.18, 1.38, 22.40 ppm): 5 chemical-shift based assignments, quality = 0.474, support = 2.48, residual support = 2.24: * HN SER 41 - QG2 THR 39 20.000% * 81.5948% (0.41 3.01 2.74) = 81.595% kept HN GLN 16 - QG2 THR 39 20.000% * 10.4065% (0.76 0.21 0.02) = 10.406% kept HN ALA 33 - QG2 THR 39 20.000% * 7.4735% (0.83 0.14 0.02) = 7.474% kept HN GLU- 45 - QG2 THR 39 20.000% * 0.2939% (0.22 0.02 0.02) = 0.294% HN ALA 11 - QG2 THR 39 20.000% * 0.2312% (0.17 0.02 0.02) = 0.231% Peak 3863 (8.08, -0.03, 22.30 ppm): 6 chemical-shift based assignments, quality = 0.929, support = 3.83, residual support = 24.2: * HN GLU- 75 - QD1 LEU 74 16.667% * 86.7472% (0.96 4.36 27.89) = 86.747% kept HN CYS 121 - QD1 LEU 74 16.667% * 6.5128% (0.97 0.32 0.02) = 6.513% kept HN VAL 122 - QD1 LEU 74 16.667% * 6.0403% (0.59 0.49 0.02) = 6.040% kept HN LYS+ 110 - QD1 LEU 74 16.667% * 0.4050% (0.97 0.02 0.02) = 0.405% HN MET 118 - QD1 LEU 74 16.667% * 0.1820% (0.44 0.02 0.02) = 0.182% HN ASN 15 - QD1 LEU 74 16.667% * 0.1129% (0.27 0.02 0.02) = 0.113% Peak 3864 (6.74, -0.03, 22.30 ppm): 2 chemical-shift based assignments, quality = 0.956, support = 4.27, residual support = 21.7: * T QE TYR 83 - QD1 LEU 74 50.000% * 98.8861% (0.96 10.00 4.32 21.96) = 98.886% kept HZ3 TRP 51 - QD1 LEU 74 50.000% * 1.1139% (0.88 1.00 0.25 0.02) = 1.114% kept Peak 3865 (4.97, -0.03, 22.30 ppm): 6 chemical-shift based assignments, quality = 0.659, support = 3.3, residual support = 25.2: * HA SER 69 - QD1 LEU 74 16.667% * 59.1871% (0.51 4.67 42.02) = 59.187% kept HA MET 97 - QD1 LEU 74 16.667% * 34.9568% (0.96 1.48 1.03) = 34.957% kept HA HIS+ 98 - QD1 LEU 74 16.667% * 3.2231% (0.55 0.24 0.02) = 3.223% kept HA PRO 31 - QD1 LEU 74 16.667% * 1.5237% (0.17 0.36 0.02) = 1.524% kept HA ALA 33 - QD1 LEU 74 16.667% * 0.9754% (0.15 0.26 0.02) = 0.975% HA ILE 101 - QD1 LEU 74 16.667% * 0.1339% (0.27 0.02 0.02) = 0.134% Peak 3866 (1.16, 0.11, 22.14 ppm): 6 chemical-shift based assignments, quality = 0.264, support = 0.898, residual support = 0.416: HB2 LEU 43 - QG2 VAL 47 16.667% * 49.7799% (0.32 0.82 0.53) = 49.780% kept QB ALA 33 - QG2 VAL 47 16.667% * 43.6942% (0.21 1.09 0.35) = 43.694% kept HG3 LYS+ 32 - QG2 VAL 47 16.667% * 3.4184% (0.05 0.34 0.02) = 3.418% kept HG3 PRO 59 - QG2 VAL 47 16.667% * 1.3159% (0.35 0.02 0.02) = 1.316% kept QG2 THR 106 - QG2 VAL 47 16.667% * 1.0992% (0.29 0.02 0.02) = 1.099% kept HB2 LEU 74 - QG2 VAL 47 16.667% * 0.6924% (0.18 0.02 0.36) = 0.692% Peak 3867 (2.65, 0.73, 22.13 ppm): 3 chemical-shift based assignments, quality = 0.765, support = 0.109, residual support = 0.02: HE2 LYS+ 120 - QG1 VAL 40 33.333% * 71.8924% (0.69 0.14 0.02) = 71.892% kept HB3 ASP- 36 - QG1 VAL 40 33.333% * 14.3817% (0.99 0.02 0.02) = 14.382% kept HB3 ASP- 82 - QG1 VAL 40 33.333% * 13.7260% (0.94 0.02 0.02) = 13.726% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 3868 (3.92, 0.73, 22.13 ppm): 4 chemical-shift based assignments, quality = 0.286, support = 2.1, residual support = 11.2: T HA LEU 74 - QG1 VAL 40 25.000% * 97.6461% (0.28 10.00 2.15 11.48) = 97.646% kept HB2 SER 77 - QG1 VAL 40 25.000% * 1.9522% (0.76 1.00 0.15 0.30) = 1.952% kept HB THR 96 - QG1 VAL 40 25.000% * 0.3322% (0.94 1.00 0.02 0.02) = 0.332% HA1 GLY 114 - QG1 VAL 40 25.000% * 0.0695% (0.20 1.00 0.02 0.02) = 0.070% Peak 3869 (1.15, 0.73, 22.13 ppm): 7 chemical-shift based assignments, quality = 0.639, support = 1.22, residual support = 4.01: HG3 PRO 59 - QG1 VAL 40 14.286% * 41.6045% (0.87 0.92 0.92) = 41.604% kept HB2 LEU 74 - QG1 VAL 40 14.286% * 30.9736% (0.25 2.38 11.48) = 30.974% kept QB ALA 33 - QG1 VAL 40 14.286% * 20.0401% (0.90 0.43 0.38) = 20.040% kept HG3 LYS+ 32 - QG1 VAL 40 14.286% * 5.8688% (0.37 0.30 0.02) = 5.869% kept * HB2 LEU 43 - QG1 VAL 40 14.286% * 0.6745% (0.65 0.02 4.76) = 0.675% QG2 THR 106 - QG1 VAL 40 14.286% * 0.5486% (0.53 0.02 0.02) = 0.549% HD3 LYS+ 111 - QG1 VAL 40 14.286% * 0.2899% (0.28 0.02 0.02) = 0.290% Reference assignment eliminated. Peak 3870 (0.72, 0.73, 22.13 ppm): 1 diagonal assignment: * QG1 VAL 40 - QG1 VAL 40 (0.90) kept Peak 3871 (2.15, 0.89, 22.12 ppm): 11 chemical-shift based assignments, quality = 0.792, support = 2.96, residual support = 52.2: * O T HB VAL 47 - QG1 VAL 47 9.091% * 66.1287% (0.85 10.0 10.00 4.09 78.85) = 66.129% kept T HB3 GLU- 75 - QG1 VAL 47 9.091% * 22.6122% (0.62 1.0 10.00 0.94 0.02) = 22.612% kept T HG2 PRO 112 - QG1 VAL 47 9.091% * 7.3897% (0.86 1.0 10.00 0.22 0.02) = 7.390% kept HB3 LYS+ 78 - QG1 VAL 47 9.091% * 1.8743% (0.91 1.0 1.00 0.53 0.02) = 1.874% kept HG2 GLU- 45 - QG1 VAL 47 9.091% * 1.6636% (0.45 1.0 1.00 0.95 0.19) = 1.664% kept T HB2 GLU- 56 - QG1 VAL 47 9.091% * 0.1105% (0.14 1.0 10.00 0.02 0.02) = 0.111% T HB VAL 87 - QG1 VAL 47 9.091% * 0.0969% (0.12 1.0 10.00 0.02 0.02) = 0.097% HB2 ASP- 28 - QG1 VAL 47 9.091% * 0.0574% (0.74 1.0 1.00 0.02 0.02) = 0.057% HG2 PRO 104 - QG1 VAL 47 9.091% * 0.0349% (0.45 1.0 1.00 0.02 0.02) = 0.035% HB VAL 105 - QG1 VAL 47 9.091% * 0.0221% (0.28 1.0 1.00 0.02 0.02) = 0.022% HG2 GLN 102 - QG1 VAL 47 9.091% * 0.0097% (0.12 1.0 1.00 0.02 0.02) = 0.010% Peak 3872 (0.89, 0.90, 22.11 ppm): 1 diagonal assignment: * QG1 VAL 47 - QG1 VAL 47 (0.90) kept Peak 3873 (0.94, 0.95, 22.08 ppm): 2 diagonal assignments: * QG2 VAL 73 - QG2 VAL 73 (0.24) kept QG2 VAL 62 - QG2 VAL 62 (0.23) kept Peak 3874 (1.95, 0.93, 22.15 ppm): 45 chemical-shift based assignments, quality = 0.139, support = 1.3, residual support = 11.4: * O T HB VAL 73 - QG2 VAL 73 2.222% * 45.5889% (0.13 10.0 10.00 2.28 24.82) = 45.589% kept T HB VAL 73 - QG2 VAL 62 2.222% * 14.1048% (0.15 1.0 10.00 0.55 0.02) = 14.105% kept T HG2 PRO 112 - QG2 VAL 73 2.222% * 12.2539% (0.11 1.0 10.00 0.65 0.41) = 12.254% kept T HG2 PRO 112 - QG2 VAL 62 2.222% * 10.4298% (0.13 1.0 10.00 0.49 0.10) = 10.430% kept T HG2 PRO 112 - QG1 VAL 47 2.222% * 5.5735% (0.15 1.0 10.00 0.22 0.02) = 5.574% kept HB2 GLU- 75 - QG1 VAL 47 2.222% * 3.4677% (0.28 1.0 1.00 0.73 0.02) = 3.468% kept HB2 PRO 35 - QG1 VAL 47 2.222% * 2.9971% (0.37 1.0 1.00 0.48 0.02) = 2.997% kept HB VAL 73 - QG1 VAL 47 2.222% * 0.8145% (0.18 1.0 1.00 0.27 0.02) = 0.815% T HB2 GLU- 75 - QG2 VAL 62 2.222% * 0.8101% (0.24 1.0 10.00 0.02 0.02) = 0.810% T HB2 GLU- 75 - QG2 VAL 73 2.222% * 0.7158% (0.21 1.0 10.00 0.02 0.02) = 0.716% HB2 PRO 116 - QG2 VAL 62 2.222% * 0.2973% (0.14 1.0 1.00 0.13 0.02) = 0.297% T HB2 PRO 86 - QG2 VAL 62 2.222% * 0.1856% (0.05 1.0 10.00 0.02 0.02) = 0.186% T HB ILE 29 - QG2 VAL 62 2.222% * 0.1856% (0.05 1.0 10.00 0.02 0.02) = 0.186% T HB2 PRO 86 - QG2 VAL 73 2.222% * 0.1640% (0.05 1.0 10.00 0.02 0.02) = 0.164% T HB ILE 29 - QG2 VAL 73 2.222% * 0.1640% (0.05 1.0 10.00 0.02 0.02) = 0.164% HG3 PRO 116 - QG1 VAL 47 2.222% * 0.1222% (0.36 1.0 1.00 0.02 0.02) = 0.122% HB VAL 13 - QG1 VAL 47 2.222% * 0.1203% (0.36 1.0 1.00 0.02 0.02) = 0.120% HG3 PRO 31 - QG1 VAL 47 2.222% * 0.1179% (0.35 1.0 1.00 0.02 0.02) = 0.118% HB3 LYS+ 55 - QG1 VAL 47 2.222% * 0.1150% (0.34 1.0 1.00 0.02 0.02) = 0.115% HB3 GLU- 109 - QG1 VAL 47 2.222% * 0.1118% (0.33 1.0 1.00 0.02 0.02) = 0.112% HB2 PRO 35 - QG2 VAL 62 2.222% * 0.1058% (0.31 1.0 1.00 0.02 0.02) = 0.106% HG3 PRO 116 - QG2 VAL 62 2.222% * 0.1039% (0.31 1.0 1.00 0.02 0.02) = 0.104% HB VAL 13 - QG2 VAL 62 2.222% * 0.1023% (0.30 1.0 1.00 0.02 0.02) = 0.102% HG3 PRO 31 - QG2 VAL 62 2.222% * 0.1003% (0.30 1.0 1.00 0.02 0.02) = 0.100% HB3 LYS+ 55 - QG2 VAL 62 2.222% * 0.0978% (0.29 1.0 1.00 0.02 0.02) = 0.098% HB3 GLU- 109 - QG2 VAL 62 2.222% * 0.0951% (0.28 1.0 1.00 0.02 0.02) = 0.095% HB2 PRO 35 - QG2 VAL 73 2.222% * 0.0935% (0.28 1.0 1.00 0.02 0.02) = 0.093% HG3 PRO 116 - QG2 VAL 73 2.222% * 0.0918% (0.27 1.0 1.00 0.02 0.02) = 0.092% HB VAL 13 - QG2 VAL 73 2.222% * 0.0904% (0.27 1.0 1.00 0.02 0.02) = 0.090% HG3 PRO 31 - QG2 VAL 73 2.222% * 0.0886% (0.26 1.0 1.00 0.02 0.02) = 0.089% HB3 LYS+ 55 - QG2 VAL 73 2.222% * 0.0865% (0.26 1.0 1.00 0.02 0.02) = 0.086% HB3 GLU- 109 - QG2 VAL 73 2.222% * 0.0840% (0.25 1.0 1.00 0.02 0.02) = 0.084% HB2 PRO 116 - QG1 VAL 47 2.222% * 0.0559% (0.17 1.0 1.00 0.02 0.02) = 0.056% HB2 GLU- 10 - QG1 VAL 47 2.222% * 0.0559% (0.17 1.0 1.00 0.02 0.02) = 0.056% HG3 PRO 104 - QG1 VAL 47 2.222% * 0.0512% (0.15 1.0 1.00 0.02 0.02) = 0.051% HB2 GLU- 10 - QG2 VAL 62 2.222% * 0.0475% (0.14 1.0 1.00 0.02 0.02) = 0.048% HG3 PRO 104 - QG2 VAL 62 2.222% * 0.0436% (0.13 1.0 1.00 0.02 0.02) = 0.044% HB2 PRO 116 - QG2 VAL 73 2.222% * 0.0420% (0.12 1.0 1.00 0.02 0.02) = 0.042% HB2 GLU- 10 - QG2 VAL 73 2.222% * 0.0420% (0.12 1.0 1.00 0.02 0.02) = 0.042% HG3 PRO 104 - QG2 VAL 73 2.222% * 0.0385% (0.11 1.0 1.00 0.02 0.02) = 0.039% HB3 GLU- 56 - QG1 VAL 47 2.222% * 0.0385% (0.11 1.0 1.00 0.02 0.02) = 0.038% HB3 GLU- 56 - QG2 VAL 62 2.222% * 0.0327% (0.10 1.0 1.00 0.02 0.02) = 0.033% HB3 GLU- 56 - QG2 VAL 73 2.222% * 0.0289% (0.09 1.0 1.00 0.02 0.02) = 0.029% HB2 PRO 86 - QG1 VAL 47 2.222% * 0.0218% (0.06 1.0 1.00 0.02 0.02) = 0.022% HB ILE 29 - QG1 VAL 47 2.222% * 0.0218% (0.06 1.0 1.00 0.02 0.02) = 0.022% Peak 3875 (0.93, 0.93, 22.15 ppm): 3 diagonal assignments: * QG2 VAL 62 - QG2 VAL 62 (0.18) kept QG2 VAL 73 - QG2 VAL 73 (0.12) kept QG1 VAL 47 - QG1 VAL 47 (0.07) kept Peak 3876 (4.35, 0.96, 22.04 ppm): 12 chemical-shift based assignments, quality = 0.0772, support = 2.57, residual support = 16.8: * T HB THR 61 - QG2 VAL 62 8.333% * 92.9411% (0.08 10.00 2.72 18.09) = 92.941% kept HA LYS+ 60 - QG2 VAL 62 8.333% * 3.1244% (0.04 1.00 1.27 0.45) = 3.124% kept HA2 GLY 26 - QG2 VAL 62 8.333% * 1.2346% (0.10 1.00 0.22 0.02) = 1.235% kept T HB THR 61 - QG2 VAL 73 8.333% * 1.0056% (0.09 10.00 0.02 0.02) = 1.006% kept HA TRP 51 - QG2 VAL 62 8.333% * 0.6822% (0.05 1.00 0.25 0.02) = 0.682% HA TRP 51 - QG2 VAL 73 8.333% * 0.3871% (0.05 1.00 0.13 0.02) = 0.387% HA ALA 37 - QG2 VAL 62 8.333% * 0.3460% (0.03 1.00 0.20 0.02) = 0.346% HA2 GLY 26 - QG2 VAL 73 8.333% * 0.1236% (0.11 1.00 0.02 0.02) = 0.124% HA LYS+ 60 - QG2 VAL 73 8.333% * 0.0531% (0.05 1.00 0.02 0.02) = 0.053% HA ALA 37 - QG2 VAL 73 8.333% * 0.0378% (0.03 1.00 0.02 0.02) = 0.038% HA SER 27 - QG2 VAL 73 8.333% * 0.0335% (0.03 1.00 0.02 0.02) = 0.033% HA SER 27 - QG2 VAL 62 8.333% * 0.0309% (0.03 1.00 0.02 0.02) = 0.031% Peak 3877 (7.07, 0.95, 22.14 ppm): 2 chemical-shift based assignments, quality = 0.187, support = 0.53, residual support = 0.296: QD TYR 83 - QG2 VAL 73 50.000% * 66.9430% (0.19 0.64 0.38) = 66.943% kept QD TYR 83 - QG2 VAL 62 50.000% * 33.0570% (0.19 0.32 0.13) = 33.057% kept Not enough quality. Peak unassigned. Peak 3878 (6.87, 1.32, 21.79 ppm): 4 chemical-shift based assignments, quality = 0.699, support = 1.45, residual support = 3.87: * QD PHE 21 - QG2 THR 46 25.000% * 61.4133% (0.79 1.74 4.41) = 61.413% kept HZ PHE 21 - QG2 THR 46 25.000% * 26.3091% (0.44 1.33 4.41) = 26.309% kept HD21 ASN 119 - QG2 THR 46 25.000% * 8.7558% (0.94 0.21 0.02) = 8.756% kept HD22 ASN 15 - QG2 THR 46 25.000% * 3.5218% (0.37 0.21 0.02) = 3.522% kept Peak 3879 (3.18, 1.42, 21.49 ppm): 6 chemical-shift based assignments, quality = 0.851, support = 2.55, residual support = 8.46: T HB3 PHE 34 - HD3 LYS+ 44 16.667% * 61.4541% (0.88 10.00 3.30 13.12) = 61.454% kept * T HB3 PHE 34 - QG2 THR 38 16.667% * 38.3966% (0.81 10.00 1.35 1.04) = 38.397% kept HD3 ARG+ 84 - HD3 LYS+ 44 16.667% * 0.0684% (0.98 1.00 0.02 0.02) = 0.068% HD3 ARG+ 84 - QG2 THR 38 16.667% * 0.0631% (0.90 1.00 0.02 0.02) = 0.063% HB3 HIS+ 98 - HD3 LYS+ 44 16.667% * 0.0093% (0.13 1.00 0.02 0.02) = 0.009% HB3 HIS+ 98 - QG2 THR 38 16.667% * 0.0086% (0.12 1.00 0.02 0.02) = 0.009% Peak 3880 (2.87, 3.82, 62.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3881 (1.58, 3.82, 62.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3882 (4.49, 4.18, 62.74 ppm): 40 chemical-shift based assignments, quality = 0.389, support = 0.606, residual support = 0.429: HA ILE 100 - HB3 SER 49 2.500% * 12.5314% (0.36 0.99 1.46) = 12.531% kept HA GLN 102 - HB3 SER 49 2.500% * 11.7927% (0.36 0.93 0.68) = 11.793% kept HA MET 126 - HA VAL 73 2.500% * 11.5674% (0.56 0.58 0.02) = 11.567% kept HA GLN 102 - HA VAL 65 2.500% * 11.5177% (0.50 0.64 0.64) = 11.518% kept HA SER 77 - HB3 SER 49 2.500% * 9.0268% (0.62 0.40 0.31) = 9.027% kept HA MET 126 - HA VAL 65 2.500% * 6.8420% (0.70 0.28 0.02) = 6.842% kept HA LYS+ 32 - HA VAL 87 2.500% * 6.2910% (0.25 0.71 0.21) = 6.291% kept HA MET 126 - HA VAL 87 2.500% * 5.5242% (0.20 0.78 0.28) = 5.524% kept HA MET 126 - HB3 SER 49 2.500% * 4.6233% (0.49 0.26 0.02) = 4.623% kept HA GLN 102 - HA VAL 87 2.500% * 4.3336% (0.14 0.84 0.35) = 4.334% kept HA ILE 100 - HA VAL 87 2.500% * 4.3336% (0.14 0.84 0.35) = 4.334% kept HA ILE 100 - HA VAL 65 2.500% * 2.7075% (0.50 0.15 0.02) = 2.707% kept HA CYS 123 - HA VAL 65 2.500% * 0.6322% (0.89 0.02 0.02) = 0.632% HA SER 77 - HA VAL 65 2.500% * 0.6322% (0.89 0.02 0.02) = 0.632% HA LYS+ 32 - HA VAL 65 2.500% * 0.6142% (0.86 0.02 0.02) = 0.614% HA CYS 123 - HA VAL 73 2.500% * 0.5081% (0.71 0.02 0.02) = 0.508% HA SER 77 - HA VAL 73 2.500% * 0.5081% (0.71 0.02 0.02) = 0.508% HA LYS+ 32 - HA VAL 73 2.500% * 0.4936% (0.69 0.02 0.02) = 0.494% HA CYS 123 - HB3 SER 49 2.500% * 0.4462% (0.62 0.02 0.02) = 0.446% HA LYS+ 32 - HB3 SER 49 2.500% * 0.4335% (0.61 0.02 0.02) = 0.433% HB THR 79 - HA VAL 65 2.500% * 0.4154% (0.58 0.02 0.02) = 0.415% HB THR 79 - HA VAL 73 2.500% * 0.3339% (0.47 0.02 0.02) = 0.334% HA SER 77 - HA VAL 105 2.500% * 0.3181% (0.45 0.02 0.02) = 0.318% HA CYS 123 - HA VAL 105 2.500% * 0.3181% (0.45 0.02 0.02) = 0.318% HA LYS+ 32 - HA VAL 105 2.500% * 0.3090% (0.43 0.02 0.02) = 0.309% HB THR 79 - HB3 SER 49 2.500% * 0.2932% (0.41 0.02 0.02) = 0.293% HA GLN 102 - HA VAL 73 2.500% * 0.2896% (0.41 0.02 0.02) = 0.290% HA ILE 100 - HA VAL 73 2.500% * 0.2896% (0.41 0.02 0.02) = 0.290% HA MET 126 - HA VAL 105 2.500% * 0.2502% (0.35 0.02 0.02) = 0.250% HA LYS+ 55 - HA VAL 65 2.500% * 0.2336% (0.33 0.02 0.02) = 0.234% HB THR 79 - HA VAL 105 2.500% * 0.2090% (0.29 0.02 0.02) = 0.209% HA LYS+ 55 - HA VAL 73 2.500% * 0.1878% (0.26 0.02 0.02) = 0.188% HA GLN 102 - HA VAL 105 2.500% * 0.1813% (0.25 0.02 0.02) = 0.181% HA ILE 100 - HA VAL 105 2.500% * 0.1813% (0.25 0.02 0.02) = 0.181% HA SER 77 - HA VAL 87 2.500% * 0.1811% (0.25 0.02 0.02) = 0.181% HA CYS 123 - HA VAL 87 2.500% * 0.1811% (0.25 0.02 0.02) = 0.181% HA LYS+ 55 - HB3 SER 49 2.500% * 0.1649% (0.23 0.02 0.02) = 0.165% HB THR 79 - HA VAL 87 2.500% * 0.1190% (0.17 0.02 0.02) = 0.119% HA LYS+ 55 - HA VAL 105 2.500% * 0.1175% (0.16 0.02 0.02) = 0.118% HA LYS+ 55 - HA VAL 87 2.500% * 0.0669% (0.09 0.02 0.02) = 0.067% Peak 3883 (4.18, 4.18, 62.74 ppm): 5 diagonal assignments: HA VAL 65 - HA VAL 65 (0.95) kept * HA VAL 73 - HA VAL 73 (0.77) kept HB3 SER 49 - HB3 SER 49 (0.61) kept HA VAL 105 - HA VAL 105 (0.27) kept HA VAL 87 - HA VAL 87 (0.06) kept Peak 3884 (1.98, 4.38, 63.05 ppm): 42 chemical-shift based assignments, quality = 0.248, support = 4.2, residual support = 36.2: * O HG3 PRO 104 - HA PRO 104 2.381% * 49.5167% (0.33 10.0 1.00 5.27 38.93) = 49.517% kept O HG2 PRO 112 - HA PRO 112 2.381% * 27.2443% (0.18 10.0 1.00 3.80 39.48) = 27.244% kept O HG3 PRO 112 - HA PRO 112 2.381% * 15.3032% (0.10 10.0 1.00 3.30 39.48) = 15.303% kept T HB3 GLU- 75 - HA THR 95 2.381% * 3.4867% (0.09 1.0 10.00 0.53 0.02) = 3.487% kept HB3 GLU- 56 - HA THR 95 2.381% * 3.0829% (0.47 1.0 1.00 0.89 2.82) = 3.083% kept T HB3 GLU- 75 - HA PRO 104 2.381% * 0.1094% (0.07 1.0 10.00 0.02 0.02) = 0.109% T HB3 GLU- 75 - HA PRO 112 2.381% * 0.0883% (0.06 1.0 10.00 0.02 0.30) = 0.088% HB2 LYS+ 108 - HA THR 95 2.381% * 0.0826% (0.56 1.0 1.00 0.02 0.02) = 0.083% HB2 PRO 86 - HA THR 95 2.381% * 0.0799% (0.54 1.0 1.00 0.02 0.02) = 0.080% HB2 LYS+ 108 - HA PRO 104 2.381% * 0.0680% (0.46 1.0 1.00 0.02 0.02) = 0.068% HB2 PRO 86 - HA PRO 104 2.381% * 0.0658% (0.44 1.0 1.00 0.02 0.02) = 0.066% HG3 PRO 104 - HA THR 95 2.381% * 0.0601% (0.40 1.0 1.00 0.02 0.02) = 0.060% HB3 GLU- 56 - HA PRO 104 2.381% * 0.0570% (0.38 1.0 1.00 0.02 0.02) = 0.057% HB2 LYS+ 108 - HA PRO 112 2.381% * 0.0549% (0.37 1.0 1.00 0.02 0.02) = 0.055% HB VAL 73 - HA THR 95 2.381% * 0.0535% (0.36 1.0 1.00 0.02 0.02) = 0.054% HB2 PRO 86 - HA PRO 112 2.381% * 0.0531% (0.36 1.0 1.00 0.02 0.02) = 0.053% HB3 GLU- 56 - HA PRO 112 2.381% * 0.0460% (0.31 1.0 1.00 0.02 0.14) = 0.046% HB VAL 73 - HA PRO 104 2.381% * 0.0441% (0.30 1.0 1.00 0.02 0.02) = 0.044% HG2 PRO 112 - HA THR 95 2.381% * 0.0410% (0.28 1.0 1.00 0.02 0.02) = 0.041% HG3 PRO 104 - HA PRO 112 2.381% * 0.0400% (0.27 1.0 1.00 0.02 3.72) = 0.040% HB VAL 73 - HA PRO 112 2.381% * 0.0356% (0.24 1.0 1.00 0.02 0.41) = 0.036% HG2 PRO 112 - HA PRO 104 2.381% * 0.0338% (0.23 1.0 1.00 0.02 3.72) = 0.034% HB2 HIS+ 14 - HA THR 95 2.381% * 0.0282% (0.19 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 118 - HA THR 95 2.381% * 0.0282% (0.19 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 118 - HA PRO 104 2.381% * 0.0233% (0.16 1.0 1.00 0.02 0.02) = 0.023% HB2 HIS+ 14 - HA PRO 104 2.381% * 0.0233% (0.16 1.0 1.00 0.02 0.02) = 0.023% HG3 PRO 112 - HA THR 95 2.381% * 0.0230% (0.15 1.0 1.00 0.02 0.02) = 0.023% HB2 GLU- 18 - HA THR 95 2.381% * 0.0206% (0.14 1.0 1.00 0.02 0.02) = 0.021% HB3 GLU- 109 - HA THR 95 2.381% * 0.0206% (0.14 1.0 1.00 0.02 0.02) = 0.021% HG3 PRO 112 - HA PRO 104 2.381% * 0.0190% (0.13 1.0 1.00 0.02 3.72) = 0.019% HB3 MET 118 - HA PRO 112 2.381% * 0.0188% (0.13 1.0 1.00 0.02 0.02) = 0.019% HB2 HIS+ 14 - HA PRO 112 2.381% * 0.0188% (0.13 1.0 1.00 0.02 0.02) = 0.019% HB3 GLU- 109 - HA PRO 104 2.381% * 0.0170% (0.11 1.0 1.00 0.02 0.02) = 0.017% HB2 GLU- 18 - HA PRO 104 2.381% * 0.0170% (0.11 1.0 1.00 0.02 0.02) = 0.017% HB VAL 13 - HA THR 95 2.381% * 0.0145% (0.10 1.0 1.00 0.02 0.02) = 0.014% HB2 GLU- 18 - HA PRO 112 2.381% * 0.0137% (0.09 1.0 1.00 0.02 0.12) = 0.014% HB3 GLU- 109 - HA PRO 112 2.381% * 0.0137% (0.09 1.0 1.00 0.02 0.02) = 0.014% HG3 PRO 116 - HA THR 95 2.381% * 0.0128% (0.09 1.0 1.00 0.02 0.02) = 0.013% HB VAL 13 - HA PRO 104 2.381% * 0.0119% (0.08 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 116 - HA PRO 104 2.381% * 0.0105% (0.07 1.0 1.00 0.02 0.02) = 0.011% HB VAL 13 - HA PRO 112 2.381% * 0.0096% (0.06 1.0 1.00 0.02 0.02) = 0.010% HG3 PRO 116 - HA PRO 112 2.381% * 0.0085% (0.06 1.0 1.00 0.02 0.02) = 0.008% Peak 3885 (1.84, 4.38, 63.05 ppm): 36 chemical-shift based assignments, quality = 0.247, support = 2.96, residual support = 27.9: * O T HB2 PRO 104 - HA PRO 104 2.778% * 55.1395% (0.28 10.0 10.00 3.97 38.93) = 55.139% kept T HB2 PRO 104 - HA PRO 112 2.778% * 16.6226% (0.22 1.0 10.00 0.75 3.72) = 16.623% kept O HG2 PRO 112 - HA PRO 112 2.778% * 11.4026% (0.06 10.0 1.00 3.80 39.48) = 11.403% kept HB VAL 94 - HA THR 95 2.778% * 5.8384% (0.21 1.0 1.00 2.82 22.32) = 5.838% kept HB2 LYS+ 66 - HA THR 95 2.778% * 4.1396% (0.54 1.0 1.00 0.78 0.90) = 4.140% kept HB3 LYS+ 60 - HA THR 95 2.778% * 2.5142% (0.38 1.0 1.00 0.66 0.02) = 2.514% kept T HB2 PRO 59 - HA THR 95 2.778% * 1.0437% (0.53 1.0 10.00 0.02 0.02) = 1.044% kept T HB2 PRO 59 - HA PRO 104 2.778% * 0.8600% (0.43 1.0 10.00 0.02 0.02) = 0.860% T HB2 PRO 59 - HA PRO 112 2.778% * 0.6941% (0.35 1.0 10.00 0.02 0.02) = 0.694% T HB2 PRO 104 - HA THR 95 2.778% * 0.6692% (0.34 1.0 10.00 0.02 0.02) = 0.669% HB2 LYS+ 66 - HA PRO 104 2.778% * 0.0877% (0.44 1.0 1.00 0.02 0.02) = 0.088% HB3 LYS+ 72 - HA THR 95 2.778% * 0.0714% (0.36 1.0 1.00 0.02 0.02) = 0.071% HB2 LYS+ 66 - HA PRO 112 2.778% * 0.0708% (0.36 1.0 1.00 0.02 0.02) = 0.071% HB3 LYS+ 60 - HA PRO 104 2.778% * 0.0624% (0.32 1.0 1.00 0.02 0.02) = 0.062% HB3 LYS+ 72 - HA PRO 104 2.778% * 0.0588% (0.30 1.0 1.00 0.02 0.02) = 0.059% HD3 LYS+ 117 - HA THR 95 2.778% * 0.0581% (0.29 1.0 1.00 0.02 0.02) = 0.058% HG3 LYS+ 108 - HA THR 95 2.778% * 0.0537% (0.27 1.0 1.00 0.02 0.02) = 0.054% HB3 LYS+ 60 - HA PRO 112 2.778% * 0.0504% (0.25 1.0 1.00 0.02 0.02) = 0.050% HD3 LYS+ 117 - HA PRO 104 2.778% * 0.0478% (0.24 1.0 1.00 0.02 0.02) = 0.048% HB3 LYS+ 72 - HA PRO 112 2.778% * 0.0475% (0.24 1.0 1.00 0.02 0.46) = 0.047% HG3 LYS+ 108 - HA PRO 104 2.778% * 0.0443% (0.22 1.0 1.00 0.02 0.02) = 0.044% HD3 LYS+ 117 - HA PRO 112 2.778% * 0.0386% (0.19 1.0 1.00 0.02 0.02) = 0.039% HD2 PRO 59 - HA THR 95 2.778% * 0.0376% (0.19 1.0 1.00 0.02 0.02) = 0.038% HD3 LYS+ 72 - HA THR 95 2.778% * 0.0376% (0.19 1.0 1.00 0.02 0.02) = 0.038% HG3 LYS+ 108 - HA PRO 112 2.778% * 0.0357% (0.18 1.0 1.00 0.02 0.02) = 0.036% HB VAL 94 - HA PRO 104 2.778% * 0.0341% (0.17 1.0 1.00 0.02 0.02) = 0.034% HD2 PRO 59 - HA PRO 104 2.778% * 0.0310% (0.16 1.0 1.00 0.02 0.02) = 0.031% HD3 LYS+ 72 - HA PRO 104 2.778% * 0.0310% (0.16 1.0 1.00 0.02 0.02) = 0.031% HB VAL 94 - HA PRO 112 2.778% * 0.0275% (0.14 1.0 1.00 0.02 0.02) = 0.028% HB2 GLU- 109 - HA THR 95 2.778% * 0.0275% (0.14 1.0 1.00 0.02 0.02) = 0.028% HD3 LYS+ 72 - HA PRO 112 2.778% * 0.0250% (0.13 1.0 1.00 0.02 0.46) = 0.025% HD2 PRO 59 - HA PRO 112 2.778% * 0.0250% (0.13 1.0 1.00 0.02 0.02) = 0.025% HB2 GLU- 109 - HA PRO 104 2.778% * 0.0227% (0.11 1.0 1.00 0.02 0.02) = 0.023% HB2 GLU- 109 - HA PRO 112 2.778% * 0.0183% (0.09 1.0 1.00 0.02 0.02) = 0.018% HG2 PRO 112 - HA THR 95 2.778% * 0.0171% (0.09 1.0 1.00 0.02 0.02) = 0.017% HG2 PRO 112 - HA PRO 104 2.778% * 0.0141% (0.07 1.0 1.00 0.02 3.72) = 0.014% Peak 3886 (0.10, 1.31, 22.14 ppm): 1 chemical-shift based assignment, quality = 0.128, support = 3.32, residual support = 15.0: * QG2 VAL 47 - QG2 THR 46 100.000% *100.0000% (0.13 3.32 15.02) = 100.000% kept Peak 3887 (2.80, 2.79, 42.91 ppm): 1 diagonal assignment: * HA2 GLY 58 - HA2 GLY 58 (0.71) kept Peak 3888 (2.30, 2.28, 37.66 ppm): 1 diagonal assignment: * HG2 GLU- 64 - HG2 GLU- 64 (0.52) kept Peak 3889 (3.54, 2.15, 31.04 ppm): 9 chemical-shift based assignments, quality = 0.69, support = 2.95, residual support = 14.1: * T HA LYS+ 44 - HB VAL 47 11.111% * 61.4450% (0.82 10.00 3.44 20.97) = 61.445% kept T HA LYS+ 44 - HB3 GLU- 75 11.111% * 35.5746% (0.48 10.00 2.30 3.27) = 35.575% kept HB2 SER 69 - HB3 GLU- 75 11.111% * 1.3815% (0.35 1.00 1.07 0.43) = 1.382% kept HA1 GLY 26 - HB VAL 47 11.111% * 1.1159% (0.93 1.00 0.32 0.02) = 1.116% kept HA1 GLY 26 - HB3 GLU- 75 11.111% * 0.1575% (0.54 1.00 0.08 0.02) = 0.158% HB2 SER 69 - HB2 GLU- 56 11.111% * 0.1498% (0.11 1.00 0.35 0.92) = 0.150% T HA LYS+ 44 - HB2 GLU- 56 11.111% * 0.1177% (0.16 10.00 0.02 0.02) = 0.118% HB2 SER 69 - HB VAL 47 11.111% * 0.0446% (0.60 1.00 0.02 0.02) = 0.045% HA1 GLY 26 - HB2 GLU- 56 11.111% * 0.0133% (0.18 1.00 0.02 0.02) = 0.013% Peak 3890 (2.15, 2.15, 31.04 ppm): 2 diagonal assignments: * HB VAL 47 - HB VAL 47 (0.99) kept HB3 GLU- 75 - HB3 GLU- 75 (0.35) kept Peak 3891 (4.21, 2.01, 30.52 ppm): 45 chemical-shift based assignments, quality = 0.39, support = 1.78, residual support = 4.84: T HA LYS+ 108 - HB3 GLU- 107 2.222% * 31.6543% (0.27 1.0 10.00 1.96 5.96) = 31.654% kept O HA GLU- 10 - HB3 GLU- 10 2.222% * 29.8325% (0.25 10.0 1.00 3.54 9.88) = 29.832% kept T HA GLU- 12 - HB2 HIS+ 14 2.222% * 15.5734% (0.88 1.0 10.00 0.29 0.02) = 15.573% kept T HB3 SER 49 - HB3 GLU- 107 2.222% * 13.5226% (0.60 1.0 10.00 0.38 0.02) = 13.523% kept T HB3 SER 49 - HB3 GLU- 75 2.222% * 1.8270% (0.12 1.0 10.00 0.26 0.02) = 1.827% kept T HA GLU- 12 - HB3 GLU- 107 2.222% * 1.1220% (0.93 1.0 10.00 0.02 0.02) = 1.122% kept T HA GLU- 10 - HB3 GLU- 75 2.222% * 0.7692% (0.05 1.0 10.00 0.25 0.02) = 0.769% T HB3 SER 49 - HB2 HIS+ 14 2.222% * 0.6834% (0.57 1.0 10.00 0.02 0.02) = 0.683% T HB3 SER 49 - HB3 GLU- 10 2.222% * 0.6652% (0.55 1.0 10.00 0.02 0.02) = 0.665% T HA SER 49 - HB3 GLU- 107 2.222% * 0.6117% (0.51 1.0 10.00 0.02 0.02) = 0.612% T HA SER 49 - HB2 HIS+ 14 2.222% * 0.5799% (0.48 1.0 10.00 0.02 0.02) = 0.580% T HA SER 49 - HB3 GLU- 10 2.222% * 0.5645% (0.47 1.0 10.00 0.02 0.02) = 0.565% T HA GLU- 10 - HB3 GLU- 107 2.222% * 0.3233% (0.27 1.0 10.00 0.02 0.02) = 0.323% T HA LYS+ 108 - HB2 HIS+ 14 2.222% * 0.3064% (0.25 1.0 10.00 0.02 0.02) = 0.306% T HA GLU- 10 - HB2 HIS+ 14 2.222% * 0.3064% (0.25 1.0 10.00 0.02 0.02) = 0.306% T HA GLU- 12 - HB3 GLU- 75 2.222% * 0.2171% (0.18 1.0 10.00 0.02 0.02) = 0.217% T HA ASP- 82 - HB3 GLU- 75 2.222% * 0.1952% (0.16 1.0 10.00 0.02 0.02) = 0.195% T HA SER 49 - HB3 GLU- 75 2.222% * 0.1184% (0.10 1.0 10.00 0.02 0.02) = 0.118% HA GLU- 12 - HB3 GLU- 10 2.222% * 0.1035% (0.86 1.0 1.00 0.02 0.02) = 0.104% HA ASP- 82 - HB3 GLU- 107 2.222% * 0.1008% (0.84 1.0 1.00 0.02 0.02) = 0.101% HA ASP- 82 - HB2 HIS+ 14 2.222% * 0.0956% (0.79 1.0 1.00 0.02 0.02) = 0.096% HA ASP- 82 - HB3 GLU- 10 2.222% * 0.0931% (0.77 1.0 1.00 0.02 0.02) = 0.093% HA GLU- 109 - HB3 GLU- 107 2.222% * 0.0844% (0.70 1.0 1.00 0.02 0.02) = 0.084% HA GLU- 109 - HB2 HIS+ 14 2.222% * 0.0800% (0.67 1.0 1.00 0.02 0.02) = 0.080% HA GLU- 109 - HB3 GLU- 10 2.222% * 0.0779% (0.65 1.0 1.00 0.02 0.02) = 0.078% T HA LYS+ 108 - HB3 GLU- 75 2.222% * 0.0626% (0.05 1.0 10.00 0.02 0.02) = 0.063% HA ALA 42 - HB3 GLU- 107 2.222% * 0.0521% (0.43 1.0 1.00 0.02 0.02) = 0.052% HA ALA 42 - HB2 HIS+ 14 2.222% * 0.0494% (0.41 1.0 1.00 0.02 0.02) = 0.049% HA ALA 42 - HB3 GLU- 10 2.222% * 0.0481% (0.40 1.0 1.00 0.02 0.02) = 0.048% T HA GLU- 12 - HB3 GLU- 56 2.222% * 0.0375% (0.03 1.0 10.00 0.02 0.02) = 0.037% T HA ASP- 82 - HB3 GLU- 56 2.222% * 0.0337% (0.03 1.0 10.00 0.02 0.02) = 0.034% HA GLU- 54 - HB3 GLU- 107 2.222% * 0.0323% (0.27 1.0 1.00 0.02 0.02) = 0.032% HA GLU- 54 - HB2 HIS+ 14 2.222% * 0.0306% (0.25 1.0 1.00 0.02 0.02) = 0.031% HA GLU- 54 - HB3 GLU- 10 2.222% * 0.0298% (0.25 1.0 1.00 0.02 0.02) = 0.030% HA LYS+ 108 - HB3 GLU- 10 2.222% * 0.0298% (0.25 1.0 1.00 0.02 0.02) = 0.030% T HB3 SER 49 - HB3 GLU- 56 2.222% * 0.0241% (0.02 1.0 10.00 0.02 0.02) = 0.024% HA GLU- 109 - HB3 GLU- 75 2.222% * 0.0163% (0.14 1.0 1.00 0.02 0.02) = 0.016% T HA LYS+ 108 - HB3 GLU- 56 2.222% * 0.0108% (0.01 1.0 10.00 0.02 0.02) = 0.011% T HA GLU- 10 - HB3 GLU- 56 2.222% * 0.0108% (0.01 1.0 10.00 0.02 0.02) = 0.011% HA ALA 42 - HB3 GLU- 75 2.222% * 0.0101% (0.08 1.0 1.00 0.02 0.02) = 0.010% HA GLU- 54 - HB3 GLU- 75 2.222% * 0.0063% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA GLU- 109 - HB3 GLU- 56 2.222% * 0.0028% (0.02 1.0 1.00 0.02 0.02) = 0.003% HA SER 49 - HB3 GLU- 56 2.222% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% HA ALA 42 - HB3 GLU- 56 2.222% * 0.0017% (0.01 1.0 1.00 0.02 0.02) = 0.002% HA GLU- 54 - HB3 GLU- 56 2.222% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% Reference assignment not found: HA GLU- 75 - HB3 GLU- 75 Peak 3892 (2.74, 2.74, 39.84 ppm): 1 diagonal assignment: * HB3 PHE 21 - HB3 PHE 21 (0.25) kept Peak 3893 (9.31, 1.93, 41.57 ppm): 4 chemical-shift based assignments, quality = 0.31, support = 5.55, residual support = 79.5: * O HN LEU 23 - HB2 LEU 23 25.000% * 44.2235% (0.27 10.0 6.84 120.20) = 44.223% kept O HN ILE 29 - HB ILE 29 25.000% * 38.9391% (0.24 10.0 5.25 61.32) = 38.939% kept HN ILE 29 - HB2 LEU 23 25.000% * 15.3514% (0.63 1.0 2.95 14.52) = 15.351% kept HN LEU 23 - HB ILE 29 25.000% * 1.4860% (0.10 1.0 1.80 14.52) = 1.486% kept Peak 3894 (1.93, 2.74, 39.91 ppm): 14 chemical-shift based assignments, quality = 0.237, support = 2.16, residual support = 18.9: * T HB ILE 29 - HB3 PHE 21 7.143% * 56.5180% (0.25 10.00 2.56 30.76) = 56.518% kept T HB2 LEU 23 - HB3 PHE 21 7.143% * 42.6841% (0.23 10.00 1.67 3.50) = 42.684% kept HB2 PRO 116 - HB3 PHE 21 7.143% * 0.5220% (0.23 1.00 0.20 0.02) = 0.522% HB2 GLU- 10 - HB3 PHE 21 7.143% * 0.0511% (0.23 1.00 0.02 0.02) = 0.051% HD3 LYS+ 63 - HB3 PHE 21 7.143% * 0.0369% (0.16 1.00 0.02 0.02) = 0.037% HB2 GLU- 75 - HB3 PHE 21 7.143% * 0.0346% (0.15 1.00 0.02 0.02) = 0.035% HB2 PRO 112 - HB3 PHE 21 7.143% * 0.0310% (0.14 1.00 0.02 0.02) = 0.031% HB3 GLN 102 - HB3 PHE 21 7.143% * 0.0256% (0.11 1.00 0.02 0.02) = 0.026% HB3 LYS+ 55 - HB3 PHE 21 7.143% * 0.0234% (0.10 1.00 0.02 0.02) = 0.023% HG3 PRO 31 - HB3 PHE 21 7.143% * 0.0214% (0.09 1.00 0.02 0.02) = 0.021% HG2 PRO 112 - HB3 PHE 21 7.143% * 0.0191% (0.08 1.00 0.02 0.02) = 0.019% HB3 ARG+ 53 - HB3 PHE 21 7.143% * 0.0127% (0.06 1.00 0.02 0.02) = 0.013% HB2 PRO 35 - HB3 PHE 21 7.143% * 0.0113% (0.05 1.00 0.02 0.02) = 0.011% HG3 PRO 116 - HB3 PHE 21 7.143% * 0.0088% (0.04 1.00 0.02 0.02) = 0.009% Peak 3895 (1.93, 2.97, 39.90 ppm): 14 chemical-shift based assignments, quality = 0.312, support = 3.31, residual support = 20.2: * T HB ILE 29 - HB2 PHE 21 7.143% * 61.4899% (0.33 10.00 4.56 30.76) = 61.490% kept T HB2 LEU 23 - HB2 PHE 21 7.143% * 37.4781% (0.30 10.00 1.35 3.50) = 37.478% kept HB2 PRO 116 - HB2 PHE 21 7.143% * 0.5679% (0.30 1.00 0.20 0.02) = 0.568% HD3 LYS+ 63 - HB2 PHE 21 7.143% * 0.1657% (0.21 1.00 0.08 0.02) = 0.166% HB2 GLU- 10 - HB2 PHE 21 7.143% * 0.0556% (0.30 1.00 0.02 0.02) = 0.056% HB2 PRO 35 - HB2 PHE 21 7.143% * 0.0507% (0.07 1.00 0.08 0.02) = 0.051% HB2 GLU- 75 - HB2 PHE 21 7.143% * 0.0376% (0.20 1.00 0.02 0.02) = 0.038% HB2 PRO 112 - HB2 PHE 21 7.143% * 0.0337% (0.18 1.00 0.02 0.02) = 0.034% HB3 GLN 102 - HB2 PHE 21 7.143% * 0.0278% (0.15 1.00 0.02 0.02) = 0.028% HB3 LYS+ 55 - HB2 PHE 21 7.143% * 0.0255% (0.14 1.00 0.02 0.02) = 0.026% HG3 PRO 31 - HB2 PHE 21 7.143% * 0.0233% (0.12 1.00 0.02 0.02) = 0.023% HG2 PRO 112 - HB2 PHE 21 7.143% * 0.0208% (0.11 1.00 0.02 0.02) = 0.021% HB3 ARG+ 53 - HB2 PHE 21 7.143% * 0.0138% (0.07 1.00 0.02 0.02) = 0.014% HG3 PRO 116 - HB2 PHE 21 7.143% * 0.0096% (0.05 1.00 0.02 0.02) = 0.010% Peak 3896 (2.73, 1.92, 41.31 ppm): 6 chemical-shift based assignments, quality = 0.779, support = 2.19, residual support = 20.5: * HB3 PHE 21 - HB ILE 29 16.667% * 60.9713% (0.98 2.56 30.76) = 60.971% kept HB3 PHE 21 - HB2 LEU 23 16.667% * 19.9120% (0.49 1.67 3.50) = 19.912% kept HB3 ASP- 115 - HB2 LEU 23 16.667% * 18.5012% (0.47 1.63 5.60) = 18.501% kept HB3 ASP- 115 - HB ILE 29 16.667% * 0.4548% (0.93 0.02 0.02) = 0.455% HE3 LYS+ 120 - HB ILE 29 16.667% * 0.1070% (0.22 0.02 0.02) = 0.107% HE3 LYS+ 120 - HB2 LEU 23 16.667% * 0.0536% (0.11 0.02 0.02) = 0.054% Peak 3897 (7.81, 4.11, 67.75 ppm): 5 chemical-shift based assignments, quality = 0.294, support = 3.59, residual support = 22.3: * O HN THR 46 - HA THR 46 20.000% * 89.0133% (0.23 10.0 3.99 25.02) = 89.013% kept HN LYS+ 55 - HA THR 46 20.000% * 7.7326% (0.94 1.0 0.43 0.02) = 7.733% kept HN VAL 87 - HA THR 46 20.000% * 1.9294% (0.26 1.0 0.39 0.02) = 1.929% kept HN ALA 93 - HA THR 46 20.000% * 1.1370% (0.75 1.0 0.08 0.02) = 1.137% kept HN LYS+ 63 - HA THR 46 20.000% * 0.1878% (0.49 1.0 0.02 0.02) = 0.188% Peak 3898 (8.25, 4.11, 67.75 ppm): 8 chemical-shift based assignments, quality = 0.751, support = 0.667, residual support = 1.56: HN LYS+ 81 - HA THR 46 12.500% * 41.8561% (0.72 1.03 3.54) = 41.856% kept HN GLU- 12 - HA THR 46 12.500% * 25.9476% (0.81 0.56 0.27) = 25.948% kept HN THR 106 - HA THR 46 12.500% * 18.6642% (0.91 0.36 0.02) = 18.664% kept HN LEU 67 - HA THR 46 12.500% * 6.7413% (0.72 0.17 0.02) = 6.741% kept HN SER 49 - HA THR 46 12.500% * 4.9145% (0.46 0.19 0.02) = 4.915% kept HN ASP- 115 - HA THR 46 12.500% * 0.9797% (0.87 0.02 0.02) = 0.980% HN GLY 58 - HA THR 46 12.500% * 0.6865% (0.61 0.02 0.02) = 0.687% HN ASN 89 - HA THR 46 12.500% * 0.2100% (0.19 0.02 0.02) = 0.210% Peak 3899 (2.75, 0.95, 23.18 ppm): 2 chemical-shift based assignments, quality = 0.0268, support = 0.617, residual support = 4.42: * T HB3 PHE 21 - QG2 VAL 99 50.000% * 99.3358% (0.03 10.00 0.62 4.45) = 99.336% kept HB3 ASP- 115 - QG2 VAL 99 50.000% * 0.6642% (0.06 1.00 0.02 0.02) = 0.664% Peak 3901 (7.34, 1.57, 42.17 ppm): 14 chemical-shift based assignments, quality = 0.831, support = 4.21, residual support = 52.0: QE PHE 34 - HB ILE 19 7.143% * 42.3877% (0.94 4.82 54.24) = 42.388% kept HZ PHE 34 - HB ILE 19 7.143% * 27.6472% (0.94 3.14 54.24) = 27.647% kept * QD PHE 34 - HB ILE 19 7.143% * 25.7663% (0.55 4.99 54.24) = 25.766% kept HZ2 TRP 51 - HB ILE 19 7.143% * 2.3643% (0.94 0.27 0.02) = 2.364% kept HN VAL 47 - HB ILE 19 7.143% * 1.4759% (0.47 0.33 0.02) = 1.476% kept HN ARG+ 84 - HB ILE 19 7.143% * 0.0818% (0.44 0.02 0.02) = 0.082% HZ2 TRP 51 - HB3 LEU 90 7.143% * 0.0517% (0.28 0.02 0.02) = 0.052% QE PHE 34 - HB3 LEU 90 7.143% * 0.0517% (0.28 0.02 0.02) = 0.052% HZ PHE 34 - HB3 LEU 90 7.143% * 0.0517% (0.28 0.02 0.02) = 0.052% HE22 GLN 102 - HB ILE 19 7.143% * 0.0319% (0.17 0.02 0.02) = 0.032% QD PHE 34 - HB3 LEU 90 7.143% * 0.0303% (0.16 0.02 0.02) = 0.030% HN VAL 47 - HB3 LEU 90 7.143% * 0.0261% (0.14 0.02 0.02) = 0.026% HN ARG+ 84 - HB3 LEU 90 7.143% * 0.0240% (0.13 0.02 0.02) = 0.024% HE22 GLN 102 - HB3 LEU 90 7.143% * 0.0094% (0.05 0.02 0.02) = 0.009% Peak 3902 (3.74, 0.48, 25.58 ppm): 6 chemical-shift based assignments, quality = 0.357, support = 3.75, residual support = 94.6: * HA LEU 43 - QD2 LEU 43 16.667% * 46.5756% (0.56 1.00 5.26 179.85) = 46.576% kept T HB3 SER 69 - QD2 LEU 74 16.667% * 24.7003% (0.08 10.00 3.72 42.02) = 24.700% kept T HB3 SER 69 - QD2 LEU 43 16.667% * 17.8087% (0.08 10.00 1.49 1.67) = 17.809% kept HA LEU 43 - QD2 LEU 74 16.667% * 10.6035% (0.58 1.00 1.16 1.31) = 10.603% kept HD3 PRO 104 - QD2 LEU 74 16.667% * 0.1583% (0.50 1.00 0.02 0.02) = 0.158% HD3 PRO 104 - QD2 LEU 43 16.667% * 0.1537% (0.49 1.00 0.02 0.02) = 0.154% Peak 3903 (7.34, 3.52, 61.26 ppm): 7 chemical-shift based assignments, quality = 0.746, support = 1.92, residual support = 13.9: HZ PHE 34 - HA LYS+ 44 14.286% * 34.6888% (0.92 2.12 13.12) = 34.689% kept * HN VAL 47 - HA LYS+ 44 14.286% * 22.4130% (0.47 2.71 20.97) = 22.413% kept QD PHE 34 - HA LYS+ 44 14.286% * 18.9029% (0.54 1.97 13.12) = 18.903% kept QE PHE 34 - HA LYS+ 44 14.286% * 16.6571% (0.92 1.02 13.12) = 16.657% kept HZ2 TRP 51 - HA LYS+ 44 14.286% * 7.1266% (0.92 0.44 0.02) = 7.127% kept HN ARG+ 84 - HA LYS+ 44 14.286% * 0.1521% (0.43 0.02 0.02) = 0.152% HE22 GLN 102 - HA LYS+ 44 14.286% * 0.0594% (0.17 0.02 0.02) = 0.059% Peak 3904 (7.89, 3.52, 61.26 ppm): 4 chemical-shift based assignments, quality = 0.954, support = 4.94, residual support = 56.2: * O HN LYS+ 44 - HA LYS+ 44 25.000% * 99.8195% (0.96 10.0 4.95 56.31) = 99.820% kept HN LEU 90 - HA LYS+ 44 25.000% * 0.0944% (0.90 1.0 0.02 0.02) = 0.094% HD22 ASN 89 - HA LYS+ 44 25.000% * 0.0486% (0.47 1.0 0.02 0.02) = 0.049% HN THR 38 - HA LYS+ 44 25.000% * 0.0375% (0.36 1.0 0.02 0.02) = 0.037% Peak 3905 (8.22, 3.52, 61.26 ppm): 10 chemical-shift based assignments, quality = 0.621, support = 3.96, residual support = 14.8: * O HN GLU- 45 - HA LYS+ 44 10.000% * 86.9962% (0.62 10.0 4.36 16.90) = 86.996% kept HN LEU 67 - HA LYS+ 44 10.000% * 8.1716% (0.62 1.0 1.88 0.80) = 8.172% kept HN VAL 105 - HA LYS+ 44 10.000% * 1.9118% (0.83 1.0 0.33 0.11) = 1.912% kept HN ALA 11 - HA LYS+ 44 10.000% * 1.4501% (0.69 1.0 0.30 0.02) = 1.450% kept HN LYS+ 81 - HA LYS+ 44 10.000% * 1.0348% (0.62 1.0 0.24 0.02) = 1.035% kept HN SER 49 - HA LYS+ 44 10.000% * 0.1206% (0.86 1.0 0.02 0.02) = 0.121% HN VAL 94 - HA LYS+ 44 10.000% * 0.1206% (0.86 1.0 0.02 0.02) = 0.121% HN GLY 58 - HA LYS+ 44 10.000% * 0.1028% (0.73 1.0 0.02 0.02) = 0.103% HN GLU- 12 - HA LYS+ 44 10.000% * 0.0708% (0.50 1.0 0.02 0.02) = 0.071% HN THR 106 - HA LYS+ 44 10.000% * 0.0207% (0.15 1.0 0.02 0.02) = 0.021% Peak 3906 (1.79, 3.52, 61.29 ppm): 11 chemical-shift based assignments, quality = 0.854, support = 1.15, residual support = 1.02: HG2 PRO 31 - HA LYS+ 44 9.091% * 31.9568% (0.90 1.35 0.98) = 31.957% kept HG3 LYS+ 63 - HA LYS+ 44 9.091% * 29.5721% (0.88 1.27 1.25) = 29.572% kept HB3 LYS+ 63 - HA LYS+ 44 9.091% * 26.5464% (0.86 1.17 1.25) = 26.546% kept HB3 LYS+ 108 - HA LYS+ 44 9.091% * 8.8638% (0.86 0.39 0.02) = 8.864% kept HG3 LYS+ 108 - HA LYS+ 44 9.091% * 0.9633% (0.14 0.25 0.02) = 0.963% HB2 GLU- 109 - HA LYS+ 44 9.091% * 0.6735% (0.32 0.08 0.02) = 0.673% HG3 ARG+ 53 - HA LYS+ 44 9.091% * 0.4096% (0.78 0.02 0.02) = 0.410% HB2 ARG+ 84 - HA LYS+ 44 9.091% * 0.3172% (0.60 0.02 0.02) = 0.317% HG2 ARG+ 84 - HA LYS+ 44 9.091% * 0.2974% (0.57 0.02 0.02) = 0.297% HB3 GLU- 18 - HA LYS+ 44 9.091% * 0.2776% (0.53 0.02 0.02) = 0.278% HD3 LYS+ 72 - HA LYS+ 44 9.091% * 0.1223% (0.23 0.02 0.02) = 0.122% Peak 3907 (1.46, 3.52, 61.29 ppm): 8 chemical-shift based assignments, quality = 0.568, support = 3.47, residual support = 44.8: * O T HB3 LYS+ 44 - HA LYS+ 44 12.500% * 79.3268% (0.49 10.0 10.00 4.05 56.31) = 79.327% kept HB3 LEU 67 - HA LYS+ 44 12.500% * 10.4462% (0.92 1.0 1.00 1.41 0.80) = 10.446% kept HG13 ILE 48 - HA LYS+ 44 12.500% * 8.7766% (0.88 1.0 1.00 1.23 0.51) = 8.777% kept QB ALA 70 - HA LYS+ 44 12.500% * 1.0250% (0.45 1.0 1.00 0.28 0.02) = 1.025% kept HG3 PRO 52 - HA LYS+ 44 12.500% * 0.1504% (0.93 1.0 1.00 0.02 0.02) = 0.150% HG2 PRO 59 - HA LYS+ 44 12.500% * 0.1207% (0.75 1.0 1.00 0.02 0.02) = 0.121% HG3 LYS+ 60 - HA LYS+ 44 12.500% * 0.1207% (0.75 1.0 1.00 0.02 0.02) = 0.121% HG LEU 90 - HA LYS+ 44 12.500% * 0.0336% (0.21 1.0 1.00 0.02 0.02) = 0.034% Peak 3908 (0.93, 3.52, 61.29 ppm): 14 chemical-shift based assignments, quality = 0.656, support = 1.28, residual support = 3.0: HG12 ILE 68 - HA LYS+ 44 7.143% * 19.0101% (0.93 1.17 0.17) = 19.010% kept HG3 LYS+ 110 - HA LYS+ 44 7.143% * 13.6615% (0.93 0.85 0.02) = 13.661% kept * QG1 VAL 47 - HA LYS+ 44 7.143% * 13.3685% (0.23 3.31 20.97) = 13.368% kept QG2 VAL 105 - HA LYS+ 44 7.143% * 12.9878% (0.84 0.89 0.11) = 12.988% kept QD1 LEU 67 - HA LYS+ 44 7.143% * 10.1692% (0.29 2.03 0.80) = 10.169% kept QG1 VAL 105 - HA LYS+ 44 7.143% * 9.1629% (0.78 0.68 0.11) = 9.163% kept QG2 VAL 73 - HA LYS+ 44 7.143% * 6.2027% (0.35 1.02 0.02) = 6.203% kept QG2 VAL 62 - HA LYS+ 44 7.143% * 4.9611% (0.45 0.63 1.08) = 4.961% kept QD1 LEU 17 - HA LYS+ 44 7.143% * 4.0689% (0.81 0.29 0.02) = 4.069% kept QG2 VAL 80 - HA LYS+ 44 7.143% * 3.3886% (0.88 0.22 0.12) = 3.389% kept QG2 ILE 29 - HA LYS+ 44 7.143% * 1.3565% (0.32 0.25 0.02) = 1.357% kept HG3 LYS+ 117 - HA LYS+ 44 7.143% * 0.9795% (0.35 0.16 0.02) = 0.979% QG2 VAL 40 - HA LYS+ 44 7.143% * 0.6187% (0.18 0.19 0.30) = 0.619% QG2 VAL 87 - HA LYS+ 44 7.143% * 0.0641% (0.18 0.02 0.02) = 0.064% Peak 3909 (0.09, 3.52, 61.29 ppm): 1 chemical-shift based assignment, quality = 0.208, support = 3.66, residual support = 21.0: * T QG2 VAL 47 - HA LYS+ 44 100.000% *100.0000% (0.21 10.00 3.66 20.97) = 100.000% kept Peak 3910 (3.65, 3.52, 61.26 ppm): 1 chemical-shift based assignment, quality = 0.238, support = 0.02, residual support = 0.267: HD2 PRO 112 - HA LYS+ 44 100.000% *100.0000% (0.24 0.02 0.27) = 100.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 3911 (4.26, 0.90, 24.48 ppm): 21 chemical-shift based assignments, quality = 0.422, support = 1.28, residual support = 1.05: HA GLU- 75 - QG2 VAL 40 4.762% * 32.1928% (0.49 1.73 0.85) = 32.193% kept HA ASN 76 - QG2 VAL 40 4.762% * 25.3225% (0.39 1.69 2.07) = 25.322% kept HA ASN 119 - QG2 VAL 40 4.762% * 17.2081% (0.41 1.10 1.30) = 17.208% kept HA ARG+ 84 - QG2 VAL 40 4.762% * 10.0882% (0.39 0.67 0.02) = 10.088% kept HA PRO 52 - QG2 VAL 40 4.762% * 5.7484% (0.39 0.38 0.02) = 5.748% kept HA GLU- 56 - QG2 VAL 40 4.762% * 5.2948% (0.47 0.29 0.53) = 5.295% kept HA VAL 94 - QG2 VAL 40 4.762% * 1.6753% (0.38 0.12 0.02) = 1.675% kept HA GLU- 64 - QG2 VAL 40 4.762% * 0.3735% (0.49 0.02 0.02) = 0.373% HA GLU- 107 - QG2 VAL 40 4.762% * 0.3120% (0.41 0.02 0.02) = 0.312% HA SER 85 - QG2 VAL 40 4.762% * 0.2991% (0.39 0.02 0.02) = 0.299% HA ALA 11 - QG2 VAL 40 4.762% * 0.2712% (0.36 0.02 0.02) = 0.271% HA VAL 122 - QG2 VAL 40 4.762% * 0.2114% (0.28 0.02 0.02) = 0.211% HA LEU 90 - QG2 VAL 40 4.762% * 0.1818% (0.24 0.02 0.02) = 0.182% HA PRO 59 - QG2 VAL 40 4.762% * 0.1818% (0.24 0.02 0.92) = 0.182% HB3 CYS 121 - QG2 VAL 40 4.762% * 0.1153% (0.15 0.02 0.02) = 0.115% HA GLU- 10 - QG2 VAL 40 4.762% * 0.0931% (0.12 0.02 0.02) = 0.093% HA GLU- 54 - QG2 VAL 40 4.762% * 0.0931% (0.12 0.02 0.02) = 0.093% HA LYS+ 108 - QG2 VAL 40 4.762% * 0.0931% (0.12 0.02 0.02) = 0.093% HB3 SER 49 - QG2 VAL 40 4.762% * 0.0875% (0.12 0.02 0.02) = 0.087% HA THR 106 - QG2 VAL 40 4.762% * 0.0832% (0.11 0.02 0.02) = 0.083% HA CYS 121 - QG2 VAL 40 4.762% * 0.0739% (0.10 0.02 0.02) = 0.074% Peak 3912 (3.45, 3.44, 66.58 ppm): 2 diagonal assignments: HA VAL 62 - HA VAL 62 (0.68) kept * HA VAL 40 - HA VAL 40 (0.58) kept Peak 3913 (4.24, 4.23, 55.11 ppm): 1 diagonal assignment: * HA ALA 42 - HA ALA 42 (0.21) kept Peak 3914 (1.56, 4.23, 55.11 ppm): 10 chemical-shift based assignments, quality = 0.194, support = 2.96, residual support = 18.7: * O T QB ALA 42 - HA ALA 42 10.000% * 99.1953% (0.20 10.0 10.00 2.98 18.89) = 99.195% kept HD3 LYS+ 81 - HA ALA 42 10.000% * 0.1106% (0.22 1.0 1.00 0.02 0.02) = 0.111% HD3 LYS+ 60 - HA ALA 42 10.000% * 0.1096% (0.22 1.0 1.00 0.02 0.02) = 0.110% HG LEU 17 - HA ALA 42 10.000% * 0.1067% (0.21 1.0 1.00 0.02 0.02) = 0.107% HB ILE 19 - HA ALA 42 10.000% * 0.1046% (0.21 1.0 1.00 0.02 0.02) = 0.105% HG12 ILE 29 - HA ALA 42 10.000% * 0.0992% (0.20 1.0 1.00 0.02 0.02) = 0.099% HB3 LEU 90 - HA ALA 42 10.000% * 0.0924% (0.18 1.0 1.00 0.02 0.02) = 0.092% HG13 ILE 29 - HA ALA 42 10.000% * 0.0803% (0.16 1.0 1.00 0.02 0.02) = 0.080% QG2 THR 24 - HA ALA 42 10.000% * 0.0671% (0.13 1.0 1.00 0.02 0.02) = 0.067% HB3 LYS+ 32 - HA ALA 42 10.000% * 0.0341% (0.07 1.0 1.00 0.02 0.02) = 0.034% Peak 3915 (7.97, 3.73, 58.36 ppm): 3 chemical-shift based assignments, quality = 0.78, support = 6.76, residual support = 177.4: * O HN LEU 43 - HA LEU 43 33.333% * 98.6451% (0.79 10.0 6.84 179.85) = 98.645% kept HN MET 126 - HA LEU 43 33.333% * 1.3064% (0.21 1.0 0.99 0.28) = 1.306% kept HN LYS+ 72 - HA LEU 43 33.333% * 0.0486% (0.39 1.0 0.02 0.02) = 0.049% Peak 3916 (7.35, 3.73, 58.36 ppm): 5 chemical-shift based assignments, quality = 0.458, support = 1.9, residual support = 31.0: HZ PHE 34 - HA LEU 43 20.000% * 50.0779% (0.53 2.09 31.80) = 50.078% kept QE PHE 34 - HA LEU 43 20.000% * 27.6430% (0.53 1.16 31.80) = 27.643% kept * QD PHE 34 - HA LEU 43 20.000% * 19.8931% (0.17 2.69 31.80) = 19.893% kept HZ2 TRP 51 - HA LEU 43 20.000% * 1.9077% (0.53 0.08 0.02) = 1.908% kept HE22 GLN 102 - HA LEU 43 20.000% * 0.4783% (0.53 0.02 0.02) = 0.478% Peak 3917 (7.35, 0.48, 25.65 ppm): 10 chemical-shift based assignments, quality = 0.182, support = 1.26, residual support = 27.4: * QE PHE 34 - QD2 LEU 43 10.000% * 43.9869% (0.20 1.63 31.80) = 43.987% kept HZ PHE 34 - QD2 LEU 43 10.000% * 30.0912% (0.20 1.11 31.80) = 30.091% kept QD PHE 34 - QD2 LEU 43 10.000% * 12.1336% (0.06 1.45 31.80) = 12.134% kept HZ2 TRP 51 - QD2 LEU 43 10.000% * 8.6614% (0.20 0.32 0.02) = 8.661% kept HE22 GLN 102 - QD2 LEU 74 10.000% * 2.5395% (0.23 0.08 0.02) = 2.539% kept HZ2 TRP 51 - QD2 LEU 74 10.000% * 0.6183% (0.23 0.02 0.02) = 0.618% QE PHE 34 - QD2 LEU 74 10.000% * 0.6183% (0.23 0.02 0.02) = 0.618% HZ PHE 34 - QD2 LEU 74 10.000% * 0.6183% (0.23 0.02 0.02) = 0.618% HE22 GLN 102 - QD2 LEU 43 10.000% * 0.5413% (0.20 0.02 0.02) = 0.541% QD PHE 34 - QD2 LEU 74 10.000% * 0.1913% (0.07 0.02 0.02) = 0.191% Peak 3918 (7.80, 2.24, 29.25 ppm): 10 chemical-shift based assignments, quality = 0.704, support = 3.71, residual support = 17.7: * HN THR 46 - HB3 GLU- 45 10.000% * 72.0351% (0.72 4.84 24.18) = 72.035% kept HN VAL 87 - HB3 GLU- 45 10.000% * 16.7519% (0.76 1.07 1.57) = 16.752% kept HN THR 46 - HB2 GLU- 50 10.000% * 5.3119% (0.42 0.62 0.02) = 5.312% kept HN LYS+ 55 - HB3 GLU- 45 10.000% * 3.2191% (0.72 0.22 0.02) = 3.219% kept HN ALA 93 - HB2 GLU- 50 10.000% * 1.8395% (0.56 0.16 0.02) = 1.839% kept HN ALA 93 - HB3 GLU- 45 10.000% * 0.4014% (0.98 0.02 0.02) = 0.401% HN VAL 87 - HB2 GLU- 50 10.000% * 0.1813% (0.44 0.02 0.02) = 0.181% HN LYS+ 55 - HB2 GLU- 50 10.000% * 0.1723% (0.42 0.02 0.02) = 0.172% HN LYS+ 63 - HB3 GLU- 45 10.000% * 0.0554% (0.13 0.02 0.02) = 0.055% HN LYS+ 63 - HB2 GLU- 50 10.000% * 0.0321% (0.08 0.02 0.02) = 0.032% Peak 3919 (4.24, 2.24, 29.25 ppm): 32 chemical-shift based assignments, quality = 0.78, support = 1.02, residual support = 3.97: T HA LYS+ 108 - HB3 GLU- 45 3.125% * 27.8802% (0.99 10.00 1.07 0.59) = 27.880% kept * T HA ALA 42 - HB3 GLU- 45 3.125% * 20.4391% (0.94 10.00 0.83 3.50) = 20.439% kept T HA GLU- 10 - HB3 GLU- 45 3.125% * 19.0361% (0.99 10.00 0.73 0.85) = 19.036% kept T HB3 SER 49 - HB3 GLU- 45 3.125% * 14.1606% (0.41 10.00 1.32 4.72) = 14.161% kept T HB3 SER 49 - HB2 GLU- 50 3.125% * 10.2569% (0.24 10.00 1.65 17.80) = 10.257% kept HA SER 49 - HB3 GLU- 45 3.125% * 2.3944% (0.89 1.00 1.02 4.72) = 2.394% kept HA SER 49 - HB2 GLU- 50 3.125% * 1.8143% (0.52 1.00 1.34 17.80) = 1.814% kept HA GLU- 109 - HB3 GLU- 45 3.125% * 1.1375% (0.72 1.00 0.60 0.02) = 1.138% kept HA ALA 11 - HB2 GLU- 50 3.125% * 0.8139% (0.40 1.00 0.78 0.02) = 0.814% T HA GLU- 10 - HB2 GLU- 50 3.125% * 0.3029% (0.58 10.00 0.02 0.02) = 0.303% T HA LYS+ 108 - HB2 GLU- 50 3.125% * 0.3029% (0.58 10.00 0.02 0.02) = 0.303% T HA GLU- 107 - HB3 GLU- 45 3.125% * 0.2960% (0.56 10.00 0.02 0.02) = 0.296% T HA ALA 42 - HB2 GLU- 50 3.125% * 0.2865% (0.55 10.00 0.02 0.02) = 0.286% T HA GLU- 12 - HB3 GLU- 45 3.125% * 0.2149% (0.41 10.00 0.02 0.02) = 0.215% T HA GLU- 107 - HB2 GLU- 50 3.125% * 0.1715% (0.33 10.00 0.02 0.02) = 0.171% T HA GLU- 12 - HB2 GLU- 50 3.125% * 0.1245% (0.24 10.00 0.02 0.02) = 0.125% HA GLU- 54 - HB3 GLU- 45 3.125% * 0.0523% (0.99 1.00 0.02 0.02) = 0.052% HA PRO 59 - HB3 GLU- 45 3.125% * 0.0469% (0.89 1.00 0.02 0.02) = 0.047% HA ALA 11 - HB3 GLU- 45 3.125% * 0.0359% (0.68 1.00 0.02 0.88) = 0.036% HA ASN 76 - HB3 GLU- 45 3.125% * 0.0317% (0.60 1.00 0.02 0.02) = 0.032% HA GLU- 54 - HB2 GLU- 50 3.125% * 0.0303% (0.58 1.00 0.02 0.02) = 0.030% HA ASN 119 - HB3 GLU- 45 3.125% * 0.0296% (0.56 1.00 0.02 0.02) = 0.030% HA PRO 59 - HB2 GLU- 50 3.125% * 0.0272% (0.52 1.00 0.02 0.83) = 0.027% HA GLU- 109 - HB2 GLU- 50 3.125% * 0.0220% (0.42 1.00 0.02 0.02) = 0.022% HA ASN 76 - HB2 GLU- 50 3.125% * 0.0184% (0.35 1.00 0.02 0.02) = 0.018% HA ASN 119 - HB2 GLU- 50 3.125% * 0.0171% (0.33 1.00 0.02 0.02) = 0.017% HA GLU- 75 - HB3 GLU- 45 3.125% * 0.0145% (0.28 1.00 0.02 0.11) = 0.015% HA GLU- 64 - HB3 GLU- 45 3.125% * 0.0130% (0.25 1.00 0.02 0.02) = 0.013% HA GLU- 75 - HB2 GLU- 50 3.125% * 0.0084% (0.16 1.00 0.02 0.43) = 0.008% HA GLU- 56 - HB3 GLU- 45 3.125% * 0.0081% (0.15 1.00 0.02 0.02) = 0.008% HA GLU- 64 - HB2 GLU- 50 3.125% * 0.0076% (0.14 1.00 0.02 0.02) = 0.008% HA GLU- 56 - HB2 GLU- 50 3.125% * 0.0047% (0.09 1.00 0.02 0.46) = 0.005% Peak 3920 (3.86, 2.24, 29.25 ppm): 20 chemical-shift based assignments, quality = 0.907, support = 5.14, residual support = 73.0: * O HA GLU- 45 - HB3 GLU- 45 5.000% * 98.8071% (0.92 10.0 5.20 73.84) = 98.807% kept HB3 SER 77 - HB3 GLU- 45 5.000% * 0.1068% (0.99 1.0 0.02 0.02) = 0.107% HA2 GLY 114 - HB3 GLU- 45 5.000% * 0.1068% (0.99 1.0 0.02 0.02) = 0.107% HB2 SER 85 - HB3 GLU- 45 5.000% * 0.1061% (0.99 1.0 0.02 0.02) = 0.106% HB3 SER 88 - HB3 GLU- 45 5.000% * 0.1049% (0.98 1.0 0.02 0.21) = 0.105% HB3 SER 27 - HB3 GLU- 45 5.000% * 0.1013% (0.94 1.0 0.02 0.02) = 0.101% HA2 GLY 114 - HB2 GLU- 50 5.000% * 0.0619% (0.57 1.0 0.02 0.21) = 0.062% HB3 SER 77 - HB2 GLU- 50 5.000% * 0.0619% (0.57 1.0 0.02 0.02) = 0.062% HB2 SER 85 - HB2 GLU- 50 5.000% * 0.0615% (0.57 1.0 0.02 0.02) = 0.061% HB3 SER 88 - HB2 GLU- 50 5.000% * 0.0608% (0.56 1.0 0.02 0.02) = 0.061% HD3 PRO 35 - HB3 GLU- 45 5.000% * 0.0606% (0.56 1.0 0.02 0.02) = 0.061% HB3 SER 27 - HB2 GLU- 50 5.000% * 0.0587% (0.55 1.0 0.02 0.02) = 0.059% HA GLU- 45 - HB2 GLU- 50 5.000% * 0.0572% (0.53 1.0 0.02 0.02) = 0.057% HD2 PRO 116 - HB3 GLU- 45 5.000% * 0.0521% (0.48 1.0 0.02 0.02) = 0.052% HD2 PRO 86 - HB3 GLU- 45 5.000% * 0.0440% (0.41 1.0 0.02 0.02) = 0.044% HA LYS+ 117 - HB3 GLU- 45 5.000% * 0.0365% (0.34 1.0 0.02 0.02) = 0.037% HD3 PRO 35 - HB2 GLU- 50 5.000% * 0.0351% (0.33 1.0 0.02 0.02) = 0.035% HD2 PRO 116 - HB2 GLU- 50 5.000% * 0.0302% (0.28 1.0 0.02 0.02) = 0.030% HD2 PRO 86 - HB2 GLU- 50 5.000% * 0.0255% (0.24 1.0 0.02 0.02) = 0.025% HA LYS+ 117 - HB2 GLU- 50 5.000% * 0.0212% (0.20 1.0 0.02 0.02) = 0.021% Peak 3921 (2.24, 2.24, 29.25 ppm): 2 diagonal assignments: * HB3 GLU- 45 - HB3 GLU- 45 (0.99) kept HB2 GLU- 50 - HB2 GLU- 50 (0.24) kept Peak 3922 (2.04, 2.04, 29.30 ppm): 2 diagonal assignments: * HB2 GLU- 45 - HB2 GLU- 45 (0.66) kept HB3 GLU- 54 - HB3 GLU- 54 (0.12) kept Peak 3923 (3.44, 1.74, 38.80 ppm): 6 chemical-shift based assignments, quality = 0.893, support = 5.79, residual support = 137.6: * O T HA ILE 48 - HB ILE 48 16.667% * 91.9545% (0.89 10.0 10.00 6.19 148.88) = 91.954% kept HA VAL 62 - HB ILE 48 16.667% * 6.9327% (0.95 1.0 1.00 1.42 9.49) = 6.933% kept HA VAL 40 - HB ILE 48 16.667% * 1.0113% (0.59 1.0 1.00 0.33 0.02) = 1.011% kept HA VAL 80 - HB ILE 48 16.667% * 0.0564% (0.55 1.0 1.00 0.02 0.02) = 0.056% HD3 PRO 31 - HB ILE 48 16.667% * 0.0277% (0.27 1.0 1.00 0.02 0.02) = 0.028% HA1 GLY 71 - HB ILE 48 16.667% * 0.0174% (0.17 1.0 1.00 0.02 0.78) = 0.017% Peak 3924 (3.86, 1.74, 38.80 ppm): 10 chemical-shift based assignments, quality = 0.876, support = 1.64, residual support = 2.97: HB2 SER 85 - HB ILE 48 10.000% * 27.2527% (0.96 2.30 1.66) = 27.253% kept * HA GLU- 45 - HB ILE 48 10.000% * 24.8957% (0.89 2.25 9.31) = 24.896% kept HA2 GLY 114 - HB ILE 48 10.000% * 17.8908% (0.97 1.50 0.79) = 17.891% kept HB3 SER 27 - HB ILE 48 10.000% * 8.8965% (0.92 0.79 0.25) = 8.896% kept HD3 PRO 35 - HB ILE 48 10.000% * 5.1543% (0.55 0.76 0.32) = 5.154% kept HB3 SER 77 - HB ILE 48 10.000% * 4.3779% (0.97 0.37 0.02) = 4.378% kept HB3 SER 88 - HB ILE 48 10.000% * 4.1615% (0.95 0.35 0.02) = 4.161% kept HD2 PRO 86 - HB ILE 48 10.000% * 3.6000% (0.40 0.73 0.49) = 3.600% kept HD2 PRO 116 - HB ILE 48 10.000% * 3.0087% (0.47 0.52 0.02) = 3.009% kept HA LYS+ 117 - HB ILE 48 10.000% * 0.7619% (0.33 0.19 0.02) = 0.762% Peak 3925 (1.74, 1.74, 38.80 ppm): 1 diagonal assignment: * HB ILE 48 - HB ILE 48 (0.97) kept Peak 3926 (1.49, 1.74, 38.80 ppm): 7 chemical-shift based assignments, quality = 0.625, support = 0.286, residual support = 0.264: HB3 LYS+ 44 - HB ILE 48 14.286% * 39.4600% (0.84 0.32 0.51) = 39.460% kept HG3 LYS+ 72 - HB ILE 48 14.286% * 21.8026% (0.43 0.34 0.13) = 21.803% kept HD3 LYS+ 108 - HB ILE 48 14.286% * 16.8725% (0.66 0.17 0.02) = 16.873% kept HB3 LEU 67 - HB ILE 48 14.286% * 16.8607% (0.33 0.34 0.17) = 16.861% kept QB ALA 70 - HB ILE 48 14.286% * 2.5777% (0.87 0.02 0.02) = 2.578% kept HB2 LYS+ 72 - HB ILE 48 14.286% * 1.6273% (0.55 0.02 0.13) = 1.627% kept HG3 PRO 52 - HB ILE 48 14.286% * 0.7991% (0.27 0.02 0.02) = 0.799% Reference assignment not found: HG13 ILE 48 - HB ILE 48 Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 3927 (0.73, 1.74, 38.80 ppm): 10 chemical-shift based assignments, quality = 0.681, support = 6.06, residual support = 128.6: * O QG2 ILE 48 - HB ILE 48 10.000% * 86.3567% (0.69 10.0 6.91 148.88) = 86.357% kept HG3 LYS+ 44 - HB ILE 48 10.000% * 5.2374% (0.66 1.0 1.25 0.51) = 5.237% kept QD1 ILE 68 - HB ILE 48 10.000% * 2.3917% (0.93 1.0 0.41 0.02) = 2.392% kept HG3 LYS+ 66 - HB ILE 48 10.000% * 1.8295% (0.66 1.0 0.44 0.02) = 1.830% kept QG2 THR 96 - HB ILE 48 10.000% * 1.6508% (0.36 1.0 0.72 0.02) = 1.651% kept HG LEU 74 - HB ILE 48 10.000% * 1.4992% (0.84 1.0 0.28 0.02) = 1.499% kept QG2 VAL 65 - HB ILE 48 10.000% * 0.4946% (0.89 1.0 0.09 1.27) = 0.495% QG2 ILE 101 - HB ILE 48 10.000% * 0.3939% (0.60 1.0 0.10 0.14) = 0.394% QG1 VAL 40 - HB ILE 48 10.000% * 0.1192% (0.95 1.0 0.02 0.02) = 0.119% QG1 VAL 65 - HB ILE 48 10.000% * 0.0271% (0.22 1.0 0.02 1.27) = 0.027% Peak 3928 (3.44, 0.39, 29.23 ppm): 6 chemical-shift based assignments, quality = 0.89, support = 3.17, residual support = 79.8: * O T HA ILE 48 - HG12 ILE 48 16.667% * 50.7117% (0.88 10.0 10.00 4.74 148.88) = 50.712% kept T HA VAL 62 - HG12 ILE 48 16.667% * 45.2419% (0.93 1.0 10.00 1.68 9.49) = 45.242% kept T HA VAL 40 - HG12 ILE 48 16.667% * 3.9904% (0.58 1.0 10.00 0.24 0.02) = 3.990% kept HA VAL 80 - HG12 ILE 48 16.667% * 0.0311% (0.54 1.0 1.00 0.02 0.02) = 0.031% HD3 PRO 31 - HG12 ILE 48 16.667% * 0.0153% (0.26 1.0 1.00 0.02 0.02) = 0.015% HA1 GLY 71 - HG12 ILE 48 16.667% * 0.0096% (0.17 1.0 1.00 0.02 0.78) = 0.010% Peak 3929 (3.44, 1.46, 29.22 ppm): 6 chemical-shift based assignments, quality = 0.9, support = 5.08, residual support = 137.8: * O T HA ILE 48 - HG13 ILE 48 16.667% * 92.0888% (0.90 10.0 10.00 5.41 148.88) = 92.089% kept HA VAL 62 - HG13 ILE 48 16.667% * 6.9654% (0.96 1.0 1.00 1.42 9.49) = 6.965% kept HA VAL 40 - HG13 ILE 48 16.667% * 0.8441% (0.59 1.0 1.00 0.28 0.02) = 0.844% HA VAL 80 - HG13 ILE 48 16.667% * 0.0565% (0.55 1.0 1.00 0.02 0.02) = 0.056% HD3 PRO 31 - HG13 ILE 48 16.667% * 0.0277% (0.27 1.0 1.00 0.02 0.02) = 0.028% HA1 GLY 71 - HG13 ILE 48 16.667% * 0.0175% (0.17 1.0 1.00 0.02 0.78) = 0.017% Peak 3930 (4.24, 4.23, 61.72 ppm): 2 diagonal assignments: * HA SER 49 - HA SER 49 (0.50) kept HA PRO 59 - HA PRO 59 (0.23) kept Peak 3931 (4.25, 4.06, 63.54 ppm): 1 diagonal assignment: HB3 SER 49 - HB3 SER 49 (0.06) kept Reference assignment not found: HA SER 49 - HB3 SER 49 Peak 3932 (4.11, 4.06, 63.54 ppm): 1 diagonal assignment: HB3 SER 49 - HB3 SER 49 (0.15) kept Reference assignment not found: HA THR 46 - HB3 SER 49 Peak 3933 (0.91, 4.06, 63.54 ppm): 52 chemical-shift based assignments, quality = 0.184, support = 0.68, residual support = 0.639: HG12 ILE 68 - HB3 SER 49 1.923% * 18.2017% (0.13 1.77 1.95) = 18.202% kept QG1 VAL 47 - HB2 SER 49 1.923% * 15.9782% (0.28 0.72 0.02) = 15.978% kept HG3 LYS+ 117 - HB2 SER 49 1.923% * 15.0873% (0.34 0.56 0.55) = 15.087% kept HG12 ILE 68 - HB2 SER 49 1.923% * 9.0208% (0.29 0.38 1.95) = 9.021% kept QG1 VAL 47 - HB3 SER 49 1.923% * 6.1214% (0.12 0.63 0.02) = 6.121% kept QD1 LEU 67 - HB3 SER 49 1.923% * 5.7188% (0.13 0.53 0.02) = 5.719% kept QG1 VAL 47 - HB3 SER 85 1.923% * 3.6803% (0.15 0.31 0.02) = 3.680% kept HG3 LYS+ 110 - HB3 SER 85 1.923% * 3.3671% (0.17 0.24 0.02) = 3.367% kept HG3 LYS+ 117 - HB3 SER 49 1.923% * 3.0910% (0.15 0.26 0.55) = 3.091% kept QG2 VAL 105 - HB3 SER 49 1.923% * 2.9216% (0.08 0.46 0.02) = 2.922% kept QG1 VAL 105 - HB3 SER 49 1.923% * 2.3485% (0.07 0.44 0.02) = 2.349% kept HG12 ILE 68 - HB3 SER 85 1.923% * 1.3469% (0.16 0.11 0.02) = 1.347% kept QG2 VAL 40 - HB3 SER 85 1.923% * 1.3086% (0.13 0.12 0.02) = 1.309% kept QG1 VAL 80 - HB2 SER 49 1.923% * 0.6738% (0.11 0.08 0.02) = 0.674% QG2 VAL 80 - HB2 SER 49 1.923% * 0.5789% (0.36 0.02 0.02) = 0.579% QG2 VAL 62 - HB2 SER 49 1.923% * 0.5698% (0.05 0.13 0.02) = 0.570% QG2 VAL 80 - HA VAL 125 1.923% * 0.5545% (0.35 0.02 0.02) = 0.554% HG3 LYS+ 110 - HB2 SER 49 1.923% * 0.5169% (0.32 0.02 0.02) = 0.517% HG3 LYS+ 117 - HA VAL 125 1.923% * 0.5164% (0.32 0.02 0.02) = 0.516% HG3 LYS+ 110 - HA VAL 125 1.923% * 0.4951% (0.31 0.02 0.02) = 0.495% QD1 LEU 67 - HB2 SER 49 1.923% * 0.4933% (0.31 0.02 0.02) = 0.493% QD1 LEU 67 - HA VAL 125 1.923% * 0.4725% (0.29 0.02 0.02) = 0.472% HG12 ILE 68 - HA VAL 125 1.923% * 0.4489% (0.28 0.02 0.02) = 0.449% QG1 VAL 47 - HA VAL 125 1.923% * 0.4247% (0.27 0.02 0.02) = 0.425% QG2 VAL 87 - HB2 SER 49 1.923% * 0.3915% (0.24 0.02 0.02) = 0.392% QG2 VAL 40 - HB2 SER 49 1.923% * 0.3915% (0.24 0.02 0.02) = 0.392% QG2 VAL 40 - HA VAL 125 1.923% * 0.3750% (0.23 0.02 0.02) = 0.375% QG2 VAL 87 - HA VAL 125 1.923% * 0.3750% (0.23 0.02 0.02) = 0.375% QG2 VAL 80 - HB3 SER 85 1.923% * 0.3130% (0.20 0.02 0.02) = 0.313% HG3 LYS+ 117 - HB3 SER 85 1.923% * 0.2915% (0.18 0.02 0.02) = 0.291% QG2 VAL 105 - HB2 SER 49 1.923% * 0.2894% (0.18 0.02 0.02) = 0.289% QG2 VAL 105 - HA VAL 125 1.923% * 0.2772% (0.17 0.02 0.02) = 0.277% QD1 LEU 67 - HB3 SER 85 1.923% * 0.2667% (0.17 0.02 0.02) = 0.267% QD1 LEU 17 - HB2 SER 49 1.923% * 0.2654% (0.17 0.02 0.02) = 0.265% QD1 LEU 17 - HA VAL 125 1.923% * 0.2542% (0.16 0.02 0.02) = 0.254% QG2 VAL 80 - HB3 SER 49 1.923% * 0.2535% (0.16 0.02 0.02) = 0.254% QG1 VAL 105 - HB2 SER 49 1.923% * 0.2423% (0.15 0.02 0.02) = 0.242% QG1 VAL 105 - HA VAL 125 1.923% * 0.2320% (0.14 0.02 0.02) = 0.232% HG3 LYS+ 110 - HB3 SER 49 1.923% * 0.2264% (0.14 0.02 0.02) = 0.226% QG2 VAL 87 - HB3 SER 85 1.923% * 0.2117% (0.13 0.02 0.12) = 0.212% QG1 VAL 80 - HA VAL 125 1.923% * 0.1719% (0.11 0.02 0.02) = 0.172% QG2 VAL 87 - HB3 SER 49 1.923% * 0.1715% (0.11 0.02 0.02) = 0.171% QG2 VAL 40 - HB3 SER 49 1.923% * 0.1715% (0.11 0.02 0.02) = 0.171% QG2 VAL 105 - HB3 SER 85 1.923% * 0.1565% (0.10 0.02 0.02) = 0.156% QD1 LEU 17 - HB3 SER 85 1.923% * 0.1435% (0.09 0.02 0.02) = 0.143% QG1 VAL 105 - HB3 SER 85 1.923% * 0.1310% (0.08 0.02 0.02) = 0.131% QD1 LEU 17 - HB3 SER 49 1.923% * 0.1162% (0.07 0.02 0.02) = 0.116% QG1 VAL 80 - HB3 SER 85 1.923% * 0.0970% (0.06 0.02 0.02) = 0.097% QG2 VAL 62 - HA VAL 125 1.923% * 0.0837% (0.05 0.02 0.02) = 0.084% QG1 VAL 80 - HB3 SER 49 1.923% * 0.0786% (0.05 0.02 0.02) = 0.079% QG2 VAL 62 - HB3 SER 85 1.923% * 0.0472% (0.03 0.02 0.02) = 0.047% QG2 VAL 62 - HB3 SER 49 1.923% * 0.0383% (0.02 0.02 0.02) = 0.038% Not enough quality. Peak unassigned. Peak 3934 (8.77, 2.34, 36.71 ppm): 8 chemical-shift based assignments, quality = 0.75, support = 1.03, residual support = 1.63: HN THR 95 - HG3 GLU- 56 12.500% * 41.4590% (0.88 1.26 2.82) = 41.459% kept HN SER 69 - HG3 GLU- 56 12.500% * 26.8189% (0.73 0.98 0.92) = 26.819% kept HN PHE 34 - HG3 GLU- 56 12.500% * 22.0574% (0.66 0.90 0.96) = 22.057% kept HN VAL 62 - HG3 GLU- 56 12.500% * 9.3419% (0.47 0.54 0.02) = 9.342% kept HN THR 95 - HG3 GLU- 50 12.500% * 0.1041% (0.14 0.02 0.02) = 0.104% HN SER 69 - HG3 GLU- 50 12.500% * 0.0862% (0.12 0.02 0.02) = 0.086% HN PHE 34 - HG3 GLU- 50 12.500% * 0.0775% (0.10 0.02 0.02) = 0.077% HN VAL 62 - HG3 GLU- 50 12.500% * 0.0549% (0.07 0.02 0.02) = 0.055% Reference assignment not found: HN GLU- 56 - HG3 GLU- 56 Peak 3935 (3.83, 0.95, 22.15 ppm): 12 chemical-shift based assignments, quality = 0.176, support = 0.636, residual support = 0.238: HD3 PRO 112 - QG2 VAL 73 8.333% * 51.2337% (0.11 1.07 0.41) = 51.234% kept HD3 PRO 112 - QG2 VAL 62 8.333% * 19.8175% (0.11 0.42 0.10) = 19.818% kept HA2 GLY 92 - QG2 VAL 73 8.333% * 3.7689% (0.42 0.02 0.02) = 3.769% kept HA2 GLY 92 - QG2 VAL 62 8.333% * 3.7267% (0.42 0.02 0.02) = 3.727% kept HD3 PRO 116 - QG2 VAL 73 8.333% * 3.3353% (0.37 0.02 0.02) = 3.335% kept HD3 PRO 116 - QG2 VAL 62 8.333% * 3.2980% (0.37 0.02 0.02) = 3.298% kept HD3 PRO 86 - QG2 VAL 73 8.333% * 3.0788% (0.34 0.02 0.02) = 3.079% kept HD3 PRO 86 - QG2 VAL 62 8.333% * 3.0444% (0.34 0.02 0.02) = 3.044% kept HA LYS+ 117 - QG2 VAL 73 8.333% * 2.7921% (0.31 0.02 0.13) = 2.792% kept HA LYS+ 117 - QG2 VAL 62 8.333% * 2.7608% (0.31 0.02 0.02) = 2.761% kept HB3 SER 41 - QG2 VAL 73 8.333% * 1.5807% (0.18 0.02 0.02) = 1.581% kept HB3 SER 41 - QG2 VAL 62 8.333% * 1.5630% (0.17 0.02 0.02) = 1.563% kept Not enough quality. Peak unassigned. Peak 3936 (1.97, 1.97, 31.80 ppm): 3 diagonal assignments: * HB VAL 73 - HB VAL 73 (0.97) kept HB2 PRO 86 - HB2 PRO 86 (0.12) kept HB2 GLU- 75 - HB2 GLU- 75 (0.07) kept Peak 3937 (3.83, 1.97, 31.80 ppm): 27 chemical-shift based assignments, quality = 0.0894, support = 3.23, residual support = 20.1: O HD3 PRO 86 - HB2 PRO 86 3.704% * 88.4580% (0.09 10.0 3.57 22.64) = 88.458% kept HB2 SER 85 - HB2 PRO 86 3.704% * 3.0295% (0.03 1.0 2.10 2.67) = 3.030% kept HA2 GLY 92 - HB2 GLU- 75 3.704% * 1.6088% (0.35 1.0 0.10 0.02) = 1.609% kept HB3 SER 88 - HB2 PRO 86 3.704% * 1.4605% (0.03 1.0 0.90 0.02) = 1.461% kept HA LYS+ 117 - HB VAL 73 3.704% * 0.8306% (0.87 1.0 0.02 0.13) = 0.831% HA2 GLY 92 - HB VAL 73 3.704% * 0.8034% (0.85 1.0 0.02 0.02) = 0.803% HD3 PRO 116 - HB VAL 73 3.704% * 0.6362% (0.67 1.0 0.02 0.02) = 0.636% HD3 PRO 86 - HB VAL 73 3.704% * 0.5617% (0.59 1.0 0.02 0.02) = 0.562% HA LYS+ 117 - HB2 GLU- 75 3.704% * 0.3412% (0.36 1.0 0.02 0.02) = 0.341% HD3 PRO 116 - HB2 GLU- 75 3.704% * 0.2614% (0.28 1.0 0.02 0.02) = 0.261% HB3 SER 41 - HB VAL 73 3.704% * 0.2309% (0.24 1.0 0.02 0.02) = 0.231% HD3 PRO 86 - HB2 GLU- 75 3.704% * 0.2308% (0.24 1.0 0.02 0.02) = 0.231% HB3 SER 88 - HB VAL 73 3.704% * 0.2062% (0.22 1.0 0.02 0.02) = 0.206% HB2 SER 85 - HB VAL 73 3.704% * 0.1833% (0.19 1.0 0.02 0.02) = 0.183% HA2 GLY 114 - HB VAL 73 3.704% * 0.1622% (0.17 1.0 0.02 0.02) = 0.162% HB3 SER 77 - HB VAL 73 3.704% * 0.1622% (0.17 1.0 0.02 0.02) = 0.162% HA LYS+ 117 - HB2 PRO 86 3.704% * 0.1308% (0.14 1.0 0.02 0.02) = 0.131% HA2 GLY 92 - HB2 PRO 86 3.704% * 0.1265% (0.13 1.0 0.02 0.02) = 0.127% HD3 PRO 116 - HB2 PRO 86 3.704% * 0.1002% (0.11 1.0 0.02 0.02) = 0.100% HB3 SER 41 - HB2 GLU- 75 3.704% * 0.0949% (0.10 1.0 0.02 0.02) = 0.095% HB3 SER 88 - HB2 GLU- 75 3.704% * 0.0847% (0.09 1.0 0.02 0.02) = 0.085% HB2 SER 85 - HB2 GLU- 75 3.704% * 0.0753% (0.08 1.0 0.02 0.02) = 0.075% HB3 SER 77 - HB2 GLU- 75 3.704% * 0.0666% (0.07 1.0 0.02 0.02) = 0.067% HA2 GLY 114 - HB2 GLU- 75 3.704% * 0.0666% (0.07 1.0 0.02 0.02) = 0.067% HB3 SER 41 - HB2 PRO 86 3.704% * 0.0364% (0.04 1.0 0.02 0.02) = 0.036% HA2 GLY 114 - HB2 PRO 86 3.704% * 0.0255% (0.03 1.0 0.02 0.02) = 0.026% HB3 SER 77 - HB2 PRO 86 3.704% * 0.0255% (0.03 1.0 0.02 0.02) = 0.026% Peak 3938 (4.19, 1.97, 31.80 ppm): 18 chemical-shift based assignments, quality = 0.823, support = 2.56, residual support = 23.9: * O T HA VAL 73 - HB VAL 73 5.556% * 96.2571% (0.85 10.0 10.00 2.66 24.82) = 96.257% kept T HA VAL 65 - HB VAL 73 5.556% * 1.0244% (0.90 1.0 10.00 0.02 0.02) = 1.024% kept T HB3 SER 49 - HB VAL 73 5.556% * 0.9391% (0.82 1.0 10.00 0.02 0.02) = 0.939% T HA ASP- 82 - HB VAL 73 5.556% * 0.4975% (0.44 1.0 10.00 0.02 0.02) = 0.498% T HA VAL 105 - HB VAL 73 5.556% * 0.3085% (0.27 1.0 10.00 0.02 0.02) = 0.309% T HA ASP- 82 - HB2 GLU- 75 5.556% * 0.2044% (0.18 1.0 10.00 0.02 0.02) = 0.204% T HA VAL 65 - HB2 PRO 86 5.556% * 0.1613% (0.14 1.0 10.00 0.02 0.02) = 0.161% T HA VAL 73 - HB2 PRO 86 5.556% * 0.1516% (0.13 1.0 10.00 0.02 0.02) = 0.152% T HB3 SER 49 - HB2 PRO 86 5.556% * 0.1479% (0.13 1.0 10.00 0.02 0.02) = 0.148% T HA ASP- 82 - HB2 PRO 86 5.556% * 0.0783% (0.07 1.0 10.00 0.02 0.02) = 0.078% T HA VAL 105 - HB2 PRO 86 5.556% * 0.0486% (0.04 1.0 10.00 0.02 0.02) = 0.049% HA VAL 65 - HB2 GLU- 75 5.556% * 0.0421% (0.37 1.0 1.00 0.02 0.02) = 0.042% HA VAL 73 - HB2 GLU- 75 5.556% * 0.0395% (0.35 1.0 1.00 0.02 0.02) = 0.040% HB3 SER 49 - HB2 GLU- 75 5.556% * 0.0386% (0.34 1.0 1.00 0.02 0.02) = 0.039% HB THR 106 - HB VAL 73 5.556% * 0.0309% (0.27 1.0 1.00 0.02 0.11) = 0.031% HB THR 106 - HB2 GLU- 75 5.556% * 0.0127% (0.11 1.0 1.00 0.02 0.02) = 0.013% HA VAL 105 - HB2 GLU- 75 5.556% * 0.0127% (0.11 1.0 1.00 0.02 0.02) = 0.013% HB THR 106 - HB2 PRO 86 5.556% * 0.0049% (0.04 1.0 1.00 0.02 0.02) = 0.005% Peak 3939 (4.45, 1.97, 31.80 ppm): 24 chemical-shift based assignments, quality = 0.185, support = 0.884, residual support = 0.666: HA ILE 100 - HB2 PRO 86 4.167% * 19.5143% (0.07 1.29 1.16) = 19.514% kept HA GLN 102 - HB2 PRO 86 4.167% * 19.5143% (0.07 1.29 1.16) = 19.514% kept HA LYS+ 32 - HB VAL 73 4.167% * 13.2628% (0.15 0.40 0.02) = 13.263% kept HA MET 126 - HB2 PRO 86 4.167% * 10.9515% (0.04 1.17 0.68) = 10.951% kept HA LYS+ 32 - HB2 PRO 86 4.167% * 10.0587% (0.02 1.93 1.25) = 10.059% kept HA MET 118 - HB VAL 73 4.167% * 4.2792% (0.97 0.02 0.02) = 4.279% kept HA GLU- 50 - HB VAL 73 4.167% * 4.0479% (0.92 0.02 0.02) = 4.048% kept HB THR 24 - HB VAL 73 4.167% * 2.0829% (0.47 0.02 0.02) = 2.083% kept HA LYS+ 111 - HB VAL 73 4.167% * 1.9185% (0.44 0.02 0.02) = 1.918% kept HA GLN 102 - HB VAL 73 4.167% * 1.9185% (0.44 0.02 0.02) = 1.918% kept HA ILE 100 - HB VAL 73 4.167% * 1.9185% (0.44 0.02 0.02) = 1.918% kept HA MET 118 - HB2 GLU- 75 4.167% * 1.7581% (0.40 0.02 0.02) = 1.758% kept HA GLU- 50 - HB2 GLU- 75 4.167% * 1.6631% (0.38 0.02 0.43) = 1.663% kept HA MET 126 - HB VAL 73 4.167% * 1.1898% (0.27 0.02 0.02) = 1.190% kept HB THR 24 - HB2 GLU- 75 4.167% * 0.8558% (0.19 0.02 0.02) = 0.856% HA LYS+ 111 - HB2 GLU- 75 4.167% * 0.7882% (0.18 0.02 0.02) = 0.788% HA GLN 102 - HB2 GLU- 75 4.167% * 0.7882% (0.18 0.02 0.55) = 0.788% HA ILE 100 - HB2 GLU- 75 4.167% * 0.7882% (0.18 0.02 0.02) = 0.788% HA MET 118 - HB2 PRO 86 4.167% * 0.6739% (0.15 0.02 0.02) = 0.674% HA GLU- 50 - HB2 PRO 86 4.167% * 0.6374% (0.15 0.02 0.02) = 0.637% HA MET 126 - HB2 GLU- 75 4.167% * 0.4888% (0.11 0.02 0.02) = 0.489% HB THR 24 - HB2 PRO 86 4.167% * 0.3280% (0.07 0.02 0.02) = 0.328% HA LYS+ 111 - HB2 PRO 86 4.167% * 0.3021% (0.07 0.02 0.02) = 0.302% HA LYS+ 32 - HB2 GLU- 75 4.167% * 0.2713% (0.06 0.02 0.02) = 0.271% Not enough quality. Peak unassigned. Peak 3940 (0.48, 0.48, 25.61 ppm): 2 diagonal assignments: * QD2 LEU 43 - QD2 LEU 43 (0.46) kept QD2 LEU 74 - QD2 LEU 74 (0.25) kept Peak 3941 (1.63, 1.62, 25.80 ppm): 1 diagonal assignment: * HG LEU 43 - HG LEU 43 (0.72) kept Peak 3943 (7.05, 0.48, 25.65 ppm): 4 chemical-shift based assignments, quality = 0.38, support = 1.89, residual support = 19.1: T QD TYR 83 - QD2 LEU 74 25.000% * 77.7713% (0.40 10.00 2.00 21.96) = 77.771% kept T QD TYR 83 - QD2 LEU 43 25.000% * 12.4195% (0.35 10.00 0.36 0.02) = 12.419% kept * QE PHE 21 - QD2 LEU 43 25.000% * 8.7680% (0.28 1.00 3.25 22.91) = 8.768% kept QE PHE 21 - QD2 LEU 74 25.000% * 1.0412% (0.31 1.00 0.34 0.02) = 1.041% kept Peak 3944 (6.87, 0.48, 25.65 ppm): 8 chemical-shift based assignments, quality = 0.275, support = 1.9, residual support = 14.7: QD PHE 21 - QD2 LEU 43 12.500% * 43.1373% (0.29 2.46 22.91) = 43.137% kept HD21 ASN 119 - QD2 LEU 43 12.500% * 31.6486% (0.34 1.53 2.01) = 31.649% kept * HZ PHE 21 - QD2 LEU 43 12.500% * 18.2504% (0.16 1.86 22.91) = 18.250% kept HZ PHE 21 - QD2 LEU 74 12.500% * 2.6905% (0.18 0.24 0.02) = 2.691% kept HD22 ASN 15 - QD2 LEU 43 12.500% * 2.0934% (0.14 0.25 0.02) = 2.093% kept QD PHE 21 - QD2 LEU 74 12.500% * 1.5185% (0.33 0.08 0.02) = 1.518% kept HD21 ASN 119 - QD2 LEU 74 12.500% * 0.4735% (0.39 0.02 0.02) = 0.473% HD22 ASN 15 - QD2 LEU 74 12.500% * 0.1879% (0.15 0.02 0.02) = 0.188% Peak 3945 (-0.10, 0.48, 25.61 ppm): 2 chemical-shift based assignments, quality = 0.45, support = 4.05, residual support = 108.4: * O T QD1 LEU 43 - QD2 LEU 43 50.000% * 59.9558% (0.43 10.0 10.00 5.96 179.85) = 59.956% kept T QD1 LEU 43 - QD2 LEU 74 50.000% * 40.0442% (0.48 1.0 10.00 1.18 1.31) = 40.044% kept Peak 3946 (4.53, 1.10, 22.36 ppm): 5 chemical-shift based assignments, quality = 0.162, support = 3.24, residual support = 27.3: * O HB THR 79 - QG2 THR 79 20.000% * 98.2519% (0.16 10.0 3.30 27.82) = 98.252% kept HA ALA 103 - QG2 THR 79 20.000% * 1.1832% (0.42 1.0 0.09 0.02) = 1.183% kept HB THR 46 - QG2 THR 79 20.000% * 0.2761% (0.45 1.0 0.02 0.02) = 0.276% HA LYS+ 55 - QG2 THR 79 20.000% * 0.1802% (0.29 1.0 0.02 0.02) = 0.180% HA LEU 17 - QG2 THR 79 20.000% * 0.1086% (0.18 1.0 0.02 0.02) = 0.109% Peak 3947 (5.36, 1.10, 22.36 ppm): 1 chemical-shift based assignment, quality = 0.479, support = 3.43, residual support = 27.8: * O T HA THR 79 - QG2 THR 79 100.000% *100.0000% (0.48 10.0 10.00 3.43 27.82) = 100.000% kept Peak 3948 (1.10, 1.10, 22.36 ppm): 1 diagonal assignment: * QG2 THR 79 - QG2 THR 79 (0.52) kept Peak 3949 (9.31, 1.73, 41.57 ppm): 2 chemical-shift based assignments, quality = 0.381, support = 5.53, residual support = 87.9: * O HN LEU 23 - HB3 LEU 23 50.000% * 69.4591% (0.27 10.0 6.32 120.20) = 69.459% kept HN ILE 29 - HB3 LEU 23 50.000% * 30.5409% (0.63 1.0 3.74 14.52) = 30.541% kept Peak 3950 (1.93, 1.93, 41.56 ppm): 2 diagonal assignments: * HB2 LEU 23 - HB2 LEU 23 (0.85) kept HB ILE 29 - HB ILE 29 (0.36) kept Peak 3951 (2.65, 2.65, 41.23 ppm): 2 diagonal assignments: * HB3 ASP- 82 - HB3 ASP- 82 (0.98) kept HB3 ASP- 36 - HB3 ASP- 36 (0.25) kept Peak 3952 (3.70, 3.54, 65.47 ppm): 3 chemical-shift based assignments, quality = 0.704, support = 1.95, residual support = 20.4: * O T HB3 SER 69 - HB2 SER 69 33.333% * 95.8847% (0.70 10.0 10.00 2.00 21.26) = 95.885% kept HA LYS+ 81 - HB2 SER 69 33.333% * 4.0093% (0.78 1.0 1.00 0.75 0.43) = 4.009% kept HB2 TRP 51 - HB2 SER 69 33.333% * 0.1060% (0.78 1.0 1.00 0.02 0.02) = 0.106% Peak 3953 (0.46, -0.04, 22.27 ppm): 2 chemical-shift based assignments, quality = 0.875, support = 5.46, residual support = 157.0: * O QD2 LEU 74 - QD1 LEU 74 50.000% * 98.7534% (0.88 10.0 5.53 158.96) = 98.753% kept QD2 LEU 43 - QD1 LEU 74 50.000% * 1.2466% (0.64 1.0 0.35 1.31) = 1.247% kept Peak 3954 (0.73, -0.04, 22.27 ppm): 10 chemical-shift based assignments, quality = 0.801, support = 4.5, residual support = 115.3: * O HG LEU 74 - QD1 LEU 74 10.000% * 71.6953% (0.81 10.0 5.44 158.96) = 71.695% kept QG1 VAL 40 - QD1 LEU 74 10.000% * 10.7860% (0.91 1.0 2.66 11.48) = 10.786% kept QD1 ILE 68 - QD1 LEU 74 10.000% * 10.1792% (0.90 1.0 2.55 1.07) = 10.179% kept HG3 LYS+ 66 - QD1 LEU 74 10.000% * 2.9525% (0.64 1.0 1.04 0.11) = 2.952% kept HG3 LYS+ 44 - QD1 LEU 74 10.000% * 2.4095% (0.64 1.0 0.85 0.61) = 2.410% kept QG2 ILE 101 - QD1 LEU 74 10.000% * 0.8574% (0.57 1.0 0.34 0.02) = 0.857% QG2 VAL 65 - QD1 LEU 74 10.000% * 0.8114% (0.86 1.0 0.21 0.02) = 0.811% QG2 ILE 48 - QD1 LEU 74 10.000% * 0.2592% (0.66 1.0 0.09 0.02) = 0.259% QG2 THR 96 - QD1 LEU 74 10.000% * 0.0310% (0.35 1.0 0.02 0.02) = 0.031% QG1 VAL 65 - QD1 LEU 74 10.000% * 0.0184% (0.21 1.0 0.02 0.02) = 0.018% Peak 3955 (1.28, 1.28, 41.97 ppm): 1 diagonal assignment: * HB3 LEU 74 - HB3 LEU 74 (0.64) kept Peak 3956 (0.91, 1.28, 41.97 ppm): 13 chemical-shift based assignments, quality = 0.662, support = 1.89, residual support = 9.43: QD1 LEU 67 - HB3 LEU 74 7.692% * 36.8043% (0.73 2.71 17.09) = 36.804% kept QG2 VAL 40 - HB3 LEU 74 7.692% * 24.7916% (0.63 2.11 11.48) = 24.792% kept HG3 LYS+ 117 - HB3 LEU 74 7.692% * 17.1379% (0.76 1.21 1.02) = 17.138% kept QG1 VAL 47 - HB3 LEU 74 7.692% * 9.1713% (0.68 0.72 0.36) = 9.171% kept HG12 ILE 68 - HB3 LEU 74 7.692% * 7.8357% (0.42 1.01 1.07) = 7.836% kept QG1 VAL 80 - HB3 LEU 74 7.692% * 3.2027% (0.35 0.49 0.02) = 3.203% kept QG2 VAL 87 - HB3 LEU 74 7.692% * 0.2353% (0.63 0.02 0.02) = 0.235% QG2 VAL 80 - HB3 LEU 74 7.692% * 0.2134% (0.57 0.02 0.02) = 0.213% QG2 VAL 125 - HB3 LEU 74 7.692% * 0.2091% (0.14 0.08 0.02) = 0.209% HG3 LYS+ 110 - HB3 LEU 74 7.692% * 0.1782% (0.48 0.02 0.02) = 0.178% QG2 VAL 105 - HB3 LEU 74 7.692% * 0.0817% (0.22 0.02 0.02) = 0.082% QD1 LEU 17 - HB3 LEU 74 7.692% * 0.0733% (0.20 0.02 0.02) = 0.073% QG1 VAL 105 - HB3 LEU 74 7.692% * 0.0654% (0.18 0.02 0.02) = 0.065% Peak 3957 (3.94, 1.28, 41.97 ppm): 3 chemical-shift based assignments, quality = 0.761, support = 5.41, residual support = 158.7: * O HA LEU 74 - HB3 LEU 74 33.333% * 99.8445% (0.76 10.0 5.42 158.96) = 99.844% kept HA1 GLY 114 - HB3 LEU 74 33.333% * 0.0928% (0.71 1.0 0.02 0.02) = 0.093% HB THR 96 - HB3 LEU 74 33.333% * 0.0628% (0.48 1.0 0.02 0.02) = 0.063% Peak 3958 (3.95, 1.17, 41.87 ppm): 6 chemical-shift based assignments, quality = 0.935, support = 5.92, residual support = 156.9: * O T HA LEU 74 - HB2 LEU 74 16.667% * 98.7275% (0.95 10.0 10.00 6.00 158.96) = 98.728% kept T HA LEU 74 - HB2 LEU 43 16.667% * 0.9975% (0.96 1.0 10.00 0.02 1.31) = 0.998% HA1 GLY 114 - HB2 LEU 43 16.667% * 0.1004% (0.96 1.0 1.00 0.02 0.02) = 0.100% HA1 GLY 114 - HB2 LEU 74 16.667% * 0.0994% (0.95 1.0 1.00 0.02 0.02) = 0.099% HB THR 96 - HB2 LEU 43 16.667% * 0.0378% (0.36 1.0 1.00 0.02 0.02) = 0.038% HB THR 96 - HB2 LEU 74 16.667% * 0.0374% (0.36 1.0 1.00 0.02 0.02) = 0.037% Peak 3959 (8.46, 1.28, 41.97 ppm): 7 chemical-shift based assignments, quality = 0.59, support = 4.74, residual support = 138.9: * O HN LEU 74 - HB3 LEU 74 14.286% * 87.3649% (0.57 10.0 5.29 158.96) = 87.365% kept HN GLU- 107 - HB3 LEU 74 14.286% * 6.8194% (0.78 1.0 1.14 0.72) = 6.819% kept HN GLY 92 - HB3 LEU 74 14.286% * 4.5306% (0.68 1.0 0.87 0.25) = 4.531% kept HN LYS+ 113 - HB3 LEU 74 14.286% * 1.1893% (0.42 1.0 0.38 0.02) = 1.189% kept HN GLU- 18 - HB3 LEU 74 14.286% * 0.0495% (0.32 1.0 0.02 0.02) = 0.049% HN GLU- 10 - HB3 LEU 74 14.286% * 0.0300% (0.20 1.0 0.02 0.02) = 0.030% HN ARG+ 53 - HB3 LEU 74 14.286% * 0.0163% (0.11 1.0 0.02 0.02) = 0.016% Peak 3960 (8.46, 1.17, 41.87 ppm): 14 chemical-shift based assignments, quality = 0.711, support = 5.04, residual support = 138.3: * O HN LEU 74 - HB2 LEU 74 7.143% * 86.9519% (0.69 10.0 5.66 158.96) = 86.952% kept HN GLU- 107 - HB2 LEU 74 7.143% * 6.7872% (0.95 1.0 1.14 0.72) = 6.787% kept HN GLY 92 - HB2 LEU 74 7.143% * 4.5092% (0.83 1.0 0.87 0.25) = 4.509% kept HN LYS+ 113 - HB2 LEU 74 7.143% * 1.1837% (0.50 1.0 0.38 0.02) = 1.184% kept HN GLU- 107 - HB2 LEU 43 7.143% * 0.1199% (0.96 1.0 0.02 0.02) = 0.120% HN GLY 92 - HB2 LEU 43 7.143% * 0.1049% (0.84 1.0 0.02 0.02) = 0.105% HN LEU 74 - HB2 LEU 43 7.143% * 0.0879% (0.70 1.0 0.02 1.31) = 0.088% HN LYS+ 113 - HB2 LEU 43 7.143% * 0.0637% (0.51 1.0 0.02 0.02) = 0.064% HN GLU- 18 - HB2 LEU 43 7.143% * 0.0497% (0.40 1.0 0.02 0.02) = 0.050% HN GLU- 18 - HB2 LEU 74 7.143% * 0.0492% (0.39 1.0 0.02 0.02) = 0.049% HN GLU- 10 - HB2 LEU 43 7.143% * 0.0302% (0.24 1.0 0.02 0.02) = 0.030% HN GLU- 10 - HB2 LEU 74 7.143% * 0.0299% (0.24 1.0 0.02 0.02) = 0.030% HN ARG+ 53 - HB2 LEU 43 7.143% * 0.0164% (0.13 1.0 0.02 0.02) = 0.016% HN ARG+ 53 - HB2 LEU 74 7.143% * 0.0162% (0.13 1.0 0.02 0.02) = 0.016% Peak 3961 (1.45, 1.28, 41.97 ppm): 14 chemical-shift based assignments, quality = 0.569, support = 1.23, residual support = 9.93: HB3 LEU 67 - HB3 LEU 74 7.143% * 56.4728% (0.51 1.98 17.09) = 56.473% kept HG3 LYS+ 60 - HB3 LEU 74 7.143% * 15.0421% (0.79 0.34 1.30) = 15.042% kept HG13 ILE 48 - HB3 LEU 74 7.143% * 11.3778% (0.73 0.28 0.02) = 11.378% kept HG3 PRO 52 - HB3 LEU 74 7.143% * 7.7890% (0.57 0.24 0.14) = 7.789% kept HG2 PRO 59 - HB3 LEU 74 7.143% * 3.8353% (0.79 0.09 1.53) = 3.835% kept QB ALA 70 - HB3 LEU 74 7.143% * 2.4446% (0.12 0.36 0.34) = 2.445% kept HB3 LYS+ 44 - HB3 LEU 74 7.143% * 1.0688% (0.14 0.14 0.61) = 1.069% kept HG LEU 90 - HB3 LEU 74 7.143% * 0.5358% (0.48 0.02 0.11) = 0.536% HG3 LYS+ 113 - HB3 LEU 74 7.143% * 0.3316% (0.30 0.02 0.02) = 0.332% HG3 LYS+ 55 - HB3 LEU 74 7.143% * 0.2727% (0.24 0.02 0.02) = 0.273% HG3 ARG+ 22 - HB3 LEU 74 7.143% * 0.2727% (0.24 0.02 0.02) = 0.273% HD3 LYS+ 113 - HB3 LEU 74 7.143% * 0.2456% (0.22 0.02 0.02) = 0.246% QG2 THR 38 - HB3 LEU 74 7.143% * 0.1748% (0.16 0.02 0.02) = 0.175% QB ALA 91 - HB3 LEU 74 7.143% * 0.1363% (0.12 0.02 0.02) = 0.136% Peak 3962 (0.91, 0.91, 25.91 ppm): 1 diagonal assignment: * QD1 LEU 67 - QD1 LEU 67 (0.83) kept Peak 3963 (0.91, 1.47, 46.84 ppm): 13 chemical-shift based assignments, quality = 0.763, support = 5.35, residual support = 104.9: * O QD1 LEU 67 - HB3 LEU 67 7.692% * 88.6643% (0.80 10.0 5.64 114.96) = 88.664% kept HG12 ILE 68 - HB3 LEU 67 7.692% * 8.3511% (0.37 1.0 4.05 34.86) = 8.351% kept QG1 VAL 47 - HB3 LEU 67 7.692% * 2.5030% (0.77 1.0 0.59 0.45) = 2.503% kept HG3 LYS+ 117 - HB3 LEU 67 7.692% * 0.0911% (0.83 1.0 0.02 0.02) = 0.091% QG2 VAL 87 - HB3 LEU 67 7.692% * 0.0797% (0.72 1.0 0.02 0.02) = 0.080% QG2 VAL 40 - HB3 LEU 67 7.692% * 0.0797% (0.72 1.0 0.02 0.02) = 0.080% QG2 VAL 80 - HB3 LEU 67 7.692% * 0.0594% (0.54 1.0 0.02 0.02) = 0.059% HG3 LYS+ 110 - HB3 LEU 67 7.692% * 0.0483% (0.44 1.0 0.02 0.02) = 0.048% QG1 VAL 80 - HB3 LEU 67 7.692% * 0.0483% (0.44 1.0 0.02 0.02) = 0.048% QG2 VAL 125 - HB3 LEU 67 7.692% * 0.0205% (0.19 1.0 0.02 0.02) = 0.020% QG2 VAL 105 - HB3 LEU 67 7.692% * 0.0205% (0.19 1.0 0.02 0.02) = 0.020% QD1 LEU 17 - HB3 LEU 67 7.692% * 0.0182% (0.16 1.0 0.02 0.02) = 0.018% QG1 VAL 105 - HB3 LEU 67 7.692% * 0.0161% (0.15 1.0 0.02 0.02) = 0.016% Peak 3964 (1.87, 1.87, 34.09 ppm): 2 diagonal assignments: HB VAL 94 - HB VAL 94 (0.57) kept * HB3 LYS+ 72 - HB3 LYS+ 72 (0.29) kept Peak 3966 (7.20, 1.28, 27.59 ppm): 2 chemical-shift based assignments, quality = 0.915, support = 1.37, residual support = 7.19: HH2 TRP 51 - HG13 ILE 101 50.000% * 70.2353% (0.98 1.58 7.19) = 70.235% kept HN TRP 51 - HG13 ILE 101 50.000% * 29.7647% (0.75 0.88 7.19) = 29.765% kept Peak 3967 (8.75, 1.28, 27.59 ppm): 4 chemical-shift based assignments, quality = 0.703, support = 4.04, residual support = 79.1: * HN ILE 101 - HG13 ILE 101 25.000% * 61.3144% (0.68 5.87 128.54) = 61.314% kept HN PHE 34 - HG13 ILE 101 25.000% * 14.2676% (0.72 1.29 0.49) = 14.268% kept HN GLU- 56 - HG13 ILE 101 25.000% * 12.2638% (0.64 1.25 1.11) = 12.264% kept HN VAL 62 - HG13 ILE 101 25.000% * 12.1542% (0.88 0.89 0.77) = 12.154% kept Peak 3968 (8.75, 1.63, 27.60 ppm): 8 chemical-shift based assignments, quality = 0.659, support = 4.1, residual support = 82.8: * HN ILE 101 - HG12 ILE 101 12.500% * 64.1240% (0.65 5.87 128.54) = 64.124% kept HN GLU- 56 - HG12 ILE 101 12.500% * 13.1222% (0.61 1.28 1.11) = 13.122% kept HN VAL 62 - HG12 ILE 101 12.500% * 11.6891% (0.85 0.82 0.77) = 11.689% kept HN PHE 34 - HG12 ILE 101 12.500% * 8.0080% (0.69 0.69 0.49) = 8.008% kept HN PHE 34 - HG3 ARG+ 84 12.500% * 2.7396% (0.31 0.53 5.06) = 2.740% kept HN VAL 62 - HG3 ARG+ 84 12.500% * 0.1275% (0.38 0.02 0.02) = 0.128% HN ILE 101 - HG3 ARG+ 84 12.500% * 0.0977% (0.29 0.02 0.02) = 0.098% HN GLU- 56 - HG3 ARG+ 84 12.500% * 0.0920% (0.27 0.02 0.02) = 0.092% Peak 3969 (1.63, 1.63, 27.60 ppm): 1 diagonal assignment: * HG12 ILE 101 - HG12 ILE 101 (0.94) kept Peak 3970 (1.28, 1.28, 27.62 ppm): 1 diagonal assignment: * HG13 ILE 101 - HG13 ILE 101 (0.94) kept Peak 3972 (2.04, 1.63, 27.60 ppm): 26 chemical-shift based assignments, quality = 0.831, support = 0.704, residual support = 0.714: T HB3 LYS+ 110 - HG12 ILE 101 3.846% * 77.2706% (0.91 10.00 0.73 0.77) = 77.271% kept HB3 GLU- 75 - HG12 ILE 101 3.846% * 7.8803% (0.60 1.00 1.13 1.34) = 7.880% kept HG3 PRO 86 - HG12 ILE 101 3.846% * 5.7016% (0.87 1.00 0.56 0.11) = 5.702% kept HG3 GLU- 64 - HG12 ILE 101 3.846% * 2.1738% (0.69 1.00 0.27 0.02) = 2.174% kept HB3 GLU- 64 - HG12 ILE 101 3.846% * 1.7995% (0.53 1.00 0.29 0.02) = 1.800% kept HB VAL 62 - HG12 ILE 101 3.846% * 1.2430% (0.17 1.00 0.64 0.77) = 1.243% kept HG2 PRO 112 - HG3 ARG+ 84 3.846% * 1.0184% (0.28 1.00 0.31 0.02) = 1.018% kept T HB3 LYS+ 110 - HG3 ARG+ 84 3.846% * 0.9519% (0.41 10.00 0.02 0.02) = 0.952% HG2 PRO 112 - HG12 ILE 101 3.846% * 0.6530% (0.62 1.00 0.09 0.02) = 0.653% HB2 GLU- 45 - HG12 ILE 101 3.846% * 0.1843% (0.79 1.00 0.02 0.02) = 0.184% HB3 GLU- 54 - HG12 ILE 101 3.846% * 0.1516% (0.65 1.00 0.02 0.02) = 0.152% HB3 GLU- 10 - HG12 ILE 101 3.846% * 0.1249% (0.53 1.00 0.02 0.02) = 0.125% HB3 PRO 31 - HG12 ILE 101 3.846% * 0.1074% (0.46 1.00 0.02 0.35) = 0.107% HG3 PRO 86 - HG3 ARG+ 84 3.846% * 0.0911% (0.39 1.00 0.02 0.02) = 0.091% HB2 GLU- 45 - HG3 ARG+ 84 3.846% * 0.0824% (0.35 1.00 0.02 0.02) = 0.082% HG3 GLU- 64 - HG3 ARG+ 84 3.846% * 0.0716% (0.31 1.00 0.02 0.02) = 0.072% HB3 GLU- 107 - HG12 ILE 101 3.846% * 0.0681% (0.29 1.00 0.02 0.02) = 0.068% HB3 GLU- 54 - HG3 ARG+ 84 3.846% * 0.0678% (0.29 1.00 0.02 0.02) = 0.068% HB3 GLU- 75 - HG3 ARG+ 84 3.846% * 0.0624% (0.27 1.00 0.02 0.02) = 0.062% HG2 PRO 116 - HG12 ILE 101 3.846% * 0.0613% (0.26 1.00 0.02 0.02) = 0.061% HB3 GLU- 64 - HG3 ARG+ 84 3.846% * 0.0558% (0.24 1.00 0.02 0.02) = 0.056% HB3 GLU- 10 - HG3 ARG+ 84 3.846% * 0.0558% (0.24 1.00 0.02 0.02) = 0.056% HB3 PRO 31 - HG3 ARG+ 84 3.846% * 0.0480% (0.21 1.00 0.02 0.02) = 0.048% HB3 GLU- 107 - HG3 ARG+ 84 3.846% * 0.0304% (0.13 1.00 0.02 0.02) = 0.030% HG2 PRO 116 - HG3 ARG+ 84 3.846% * 0.0274% (0.12 1.00 0.02 0.02) = 0.027% HB VAL 62 - HG3 ARG+ 84 3.846% * 0.0173% (0.07 1.00 0.02 0.02) = 0.017% Reference assignment not found: HB ILE 101 - HG12 ILE 101 Peak 3973 (0.71, 0.71, 17.86 ppm): 2 diagonal assignments: * QG2 ILE 101 - QG2 ILE 101 (0.82) kept QG2 ILE 68 - QG2 ILE 68 (0.08) kept Peak 3974 (2.04, 1.28, 27.62 ppm): 13 chemical-shift based assignments, quality = 0.754, support = 0.737, residual support = 0.602: HB3 GLU- 75 - HG13 ILE 101 7.692% * 29.2141% (0.63 1.32 1.34) = 29.214% kept HG3 PRO 86 - HG13 ILE 101 7.692% * 21.8124% (0.92 0.67 0.11) = 21.812% kept HB3 LYS+ 110 - HG13 ILE 101 7.692% * 19.6469% (0.96 0.58 0.77) = 19.647% kept HB2 GLU- 45 - HG13 ILE 101 7.692% * 8.9678% (0.83 0.31 0.02) = 8.968% kept HG3 GLU- 64 - HG13 ILE 101 7.692% * 7.3290% (0.73 0.29 0.02) = 7.329% kept HB3 GLU- 64 - HG13 ILE 101 7.692% * 5.3820% (0.57 0.27 0.02) = 5.382% kept HB VAL 62 - HG13 ILE 101 7.692% * 3.9440% (0.17 0.64 0.77) = 3.944% kept HG2 PRO 112 - HG13 ILE 101 7.692% * 2.0737% (0.66 0.09 0.02) = 2.074% kept HB3 GLU- 54 - HG13 ILE 101 7.692% * 0.4813% (0.69 0.02 0.02) = 0.481% HB3 GLU- 10 - HG13 ILE 101 7.692% * 0.3967% (0.57 0.02 0.02) = 0.397% HB3 PRO 31 - HG13 ILE 101 7.692% * 0.3410% (0.49 0.02 0.35) = 0.341% HB3 GLU- 107 - HG13 ILE 101 7.692% * 0.2163% (0.31 0.02 0.02) = 0.216% HG2 PRO 116 - HG13 ILE 101 7.692% * 0.1948% (0.28 0.02 0.02) = 0.195% Reference assignment not found: HB ILE 101 - HG13 ILE 101 Peak 3975 (8.75, 0.71, 17.81 ppm): 8 chemical-shift based assignments, quality = 0.614, support = 4.73, residual support = 77.4: * HN ILE 101 - QG2 ILE 101 12.500% * 59.9621% (0.60 7.02 128.54) = 59.962% kept HN VAL 62 - QG2 ILE 101 12.500% * 15.1378% (0.78 1.36 0.77) = 15.138% kept HN GLU- 56 - QG2 ILE 101 12.500% * 12.5190% (0.56 1.56 1.11) = 12.519% kept HN PHE 34 - QG2 ILE 101 12.500% * 9.4309% (0.63 1.04 0.49) = 9.431% kept HN PHE 34 - QG2 ILE 68 12.500% * 2.7077% (0.28 0.69 0.84) = 2.708% kept HN VAL 62 - QG2 ILE 68 12.500% * 0.0975% (0.34 0.02 0.02) = 0.098% HN ILE 101 - QG2 ILE 68 12.500% * 0.0747% (0.26 0.02 0.10) = 0.075% HN GLU- 56 - QG2 ILE 68 12.500% * 0.0703% (0.25 0.02 0.02) = 0.070% Peak 3977 (3.58, 3.58, 50.95 ppm): 2 diagonal assignments: * HD2 PRO 31 - HD2 PRO 31 (0.93) kept HD2 PRO 104 - HD2 PRO 104 (0.19) kept Peak 3978 (3.47, 1.77, 25.40 ppm): 10 chemical-shift based assignments, quality = 0.522, support = 3.27, residual support = 31.3: * O T HD3 PRO 31 - HG2 PRO 31 10.000% * 87.5111% (0.56 10.0 10.00 3.11 34.96) = 87.511% kept HA1 GLY 30 - HG2 PRO 31 10.000% * 11.0974% (0.29 1.0 1.00 4.94 5.90) = 11.097% kept T HD3 PRO 31 - HG3 LYS+ 63 10.000% * 0.9260% (0.59 1.0 10.00 0.02 0.02) = 0.926% HA1 GLY 71 - HG3 LYS+ 63 10.000% * 0.1068% (0.68 1.0 1.00 0.02 0.02) = 0.107% HA1 GLY 71 - HG2 PRO 31 10.000% * 0.1009% (0.65 1.0 1.00 0.02 0.02) = 0.101% HA VAL 80 - HG3 LYS+ 63 10.000% * 0.0563% (0.36 1.0 1.00 0.02 0.02) = 0.056% HA VAL 80 - HG2 PRO 31 10.000% * 0.0532% (0.34 1.0 1.00 0.02 0.02) = 0.053% HA VAL 40 - HG3 LYS+ 63 10.000% * 0.0518% (0.33 1.0 1.00 0.02 0.02) = 0.052% HA VAL 40 - HG2 PRO 31 10.000% * 0.0490% (0.31 1.0 1.00 0.02 0.02) = 0.049% HA1 GLY 30 - HG3 LYS+ 63 10.000% * 0.0475% (0.30 1.0 1.00 0.02 0.02) = 0.048% Peak 3979 (3.58, 1.77, 25.40 ppm): 4 chemical-shift based assignments, quality = 0.629, support = 2.72, residual support = 33.8: * O T HD2 PRO 31 - HG2 PRO 31 25.000% * 96.7746% (0.63 10.0 10.00 2.81 34.96) = 96.775% kept T HD2 PRO 104 - HG3 LYS+ 63 25.000% * 1.1318% (0.73 1.0 10.00 0.02 0.02) = 1.132% kept T HD2 PRO 104 - HG2 PRO 31 25.000% * 1.0695% (0.69 1.0 10.00 0.02 0.02) = 1.070% kept T HD2 PRO 31 - HG3 LYS+ 63 25.000% * 1.0241% (0.66 1.0 10.00 0.02 0.02) = 1.024% kept Peak 3980 (3.48, 1.94, 25.37 ppm): 5 chemical-shift based assignments, quality = 0.562, support = 3.51, residual support = 28.5: * O T HD3 PRO 31 - HG3 PRO 31 20.000% * 77.8551% (0.55 10.0 10.00 3.11 34.96) = 77.855% kept HA1 GLY 30 - HG3 PRO 31 20.000% * 21.9725% (0.62 1.0 1.00 4.94 5.90) = 21.973% kept HA1 GLY 71 - HG3 PRO 31 20.000% * 0.0999% (0.70 1.0 1.00 0.02 0.02) = 0.100% HA VAL 80 - HG3 PRO 31 20.000% * 0.0382% (0.27 1.0 1.00 0.02 0.02) = 0.038% HA VAL 40 - HG3 PRO 31 20.000% * 0.0343% (0.24 1.0 1.00 0.02 0.02) = 0.034% Peak 3981 (3.58, 1.94, 25.37 ppm): 2 chemical-shift based assignments, quality = 0.865, support = 2.78, residual support = 34.6: * O T HD2 PRO 31 - HG3 PRO 31 50.000% * 98.9069% (0.86 10.0 10.00 2.81 34.96) = 98.907% kept T HD2 PRO 104 - HG3 PRO 31 50.000% * 1.0931% (0.96 1.0 10.00 0.02 0.02) = 1.093% kept Peak 3982 (3.61, 3.61, 50.61 ppm): 2 diagonal assignments: HD2 PRO 112 - HD2 PRO 112 (0.24) kept * HD2 PRO 104 - HD2 PRO 104 (0.08) kept Peak 3983 (8.46, 3.94, 56.35 ppm): 7 chemical-shift based assignments, quality = 0.712, support = 5.24, residual support = 133.8: * O HN LEU 74 - HA LEU 74 14.286% * 84.1307% (0.69 10.0 6.01 158.96) = 84.131% kept HN GLU- 107 - HA LEU 74 14.286% * 8.0385% (0.94 1.0 1.40 0.72) = 8.039% kept HN GLY 92 - HA LEU 74 14.286% * 5.5187% (0.82 1.0 1.10 0.25) = 5.519% kept HN LYS+ 113 - HA LEU 74 14.286% * 2.2198% (0.50 1.0 0.73 0.02) = 2.220% kept HN GLU- 18 - HA LEU 74 14.286% * 0.0476% (0.39 1.0 0.02 0.02) = 0.048% HN GLU- 10 - HA LEU 74 14.286% * 0.0289% (0.24 1.0 0.02 0.02) = 0.029% HN ARG+ 53 - HA LEU 74 14.286% * 0.0157% (0.13 1.0 0.02 0.02) = 0.016% Peak 3985 (0.45, 3.93, 56.31 ppm): 2 chemical-shift based assignments, quality = 0.779, support = 5.56, residual support = 158.6: * T QD2 LEU 74 - HA LEU 74 50.000% * 99.7440% (0.78 10.00 5.58 158.96) = 99.744% kept T QD2 LEU 43 - HA LEU 74 50.000% * 0.2560% (0.20 10.00 0.02 1.31) = 0.256% Peak 3986 (-0.04, 3.93, 56.31 ppm): 1 chemical-shift based assignment, quality = 0.831, support = 6.19, residual support = 159.0: * T QD1 LEU 74 - HA LEU 74 100.000% *100.0000% (0.83 10.00 6.19 158.96) = 100.000% kept Peak 3988 (9.01, 1.57, 26.98 ppm): 2 chemical-shift based assignments, quality = 0.406, support = 2.49, residual support = 2.31: HN GLY 30 - HG LEU 17 50.000% * 92.2530% (0.41 2.67 2.50) = 92.253% kept HN THR 79 - HG LEU 17 50.000% * 7.7470% (0.34 0.27 0.02) = 7.747% kept Reference assignment not found: HN GLY 30 - HG12 ILE 29 Peak 3989 (1.93, 0.99, 26.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HB ILE 29 - HG13 ILE 29 Peak unassigned. Peak 3990 (1.56, 0.99, 26.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HG12 ILE 29 - HG13 ILE 29 Peak unassigned. Peak 3991 (1.93, 1.57, 27.07 ppm): 14 chemical-shift based assignments, quality = 0.655, support = 1.17, residual support = 5.28: T HB2 GLU- 75 - HG LEU 17 7.143% * 58.1508% (0.55 10.00 0.75 0.20) = 58.151% kept HB ILE 29 - HG LEU 17 7.143% * 30.1830% (0.90 1.00 2.38 17.08) = 30.183% kept HB2 LEU 23 - HG LEU 17 7.143% * 4.1036% (0.81 1.00 0.36 0.13) = 4.104% kept T HB2 PRO 116 - HG LEU 17 7.143% * 2.2929% (0.81 10.00 0.02 0.02) = 2.293% kept T HB2 PRO 35 - HG LEU 17 7.143% * 1.9277% (0.18 10.00 0.08 0.02) = 1.928% kept HG3 PRO 31 - HG LEU 17 7.143% * 1.0559% (0.34 1.00 0.22 0.11) = 1.056% kept T HB3 LYS+ 55 - HG LEU 17 7.143% * 1.0511% (0.37 10.00 0.02 0.02) = 1.051% kept HG2 PRO 112 - HG LEU 17 7.143% * 0.4905% (0.31 1.00 0.11 0.02) = 0.491% HB2 GLU- 10 - HG LEU 17 7.143% * 0.2293% (0.81 1.00 0.02 0.02) = 0.229% HD3 LYS+ 63 - HG LEU 17 7.143% * 0.1654% (0.59 1.00 0.02 0.02) = 0.165% HB2 PRO 112 - HG LEU 17 7.143% * 0.1388% (0.49 1.00 0.02 0.02) = 0.139% HB3 GLN 102 - HG LEU 17 7.143% * 0.1146% (0.41 1.00 0.02 0.02) = 0.115% HB3 ARG+ 53 - HG LEU 17 7.143% * 0.0569% (0.20 1.00 0.02 0.02) = 0.057% HG3 PRO 116 - HG LEU 17 7.143% * 0.0394% (0.14 1.00 0.02 0.02) = 0.039% Peak 3992 (1.58, 1.57, 27.07 ppm): 1 diagonal assignment: HG LEU 17 - HG LEU 17 (0.79) kept Reference assignment not found: HG12 ILE 29 - HG12 ILE 29 Peak 3993 (0.96, 1.57, 27.07 ppm): 6 chemical-shift based assignments, quality = 0.344, support = 3.81, residual support = 49.9: O QD1 LEU 17 - HG LEU 17 16.667% * 47.6809% (0.12 10.0 3.65 88.43) = 47.681% kept QG2 ILE 29 - HG LEU 17 16.667% * 45.1776% (0.51 1.0 4.53 17.08) = 45.178% kept QG2 VAL 99 - HG LEU 17 16.667% * 6.3035% (0.84 1.0 0.39 0.32) = 6.303% kept QG2 VAL 62 - HG LEU 17 16.667% * 0.5982% (0.37 1.0 0.08 0.02) = 0.598% QG2 VAL 73 - HG LEU 17 16.667% * 0.1854% (0.48 1.0 0.02 0.02) = 0.185% QG1 VAL 105 - HG LEU 17 16.667% * 0.0544% (0.14 1.0 0.02 0.02) = 0.054% Reference assignment not found: HG13 ILE 29 - HG12 ILE 29 Peak 3994 (0.99, 0.99, 26.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HG13 ILE 29 - HG13 ILE 29 Peak unassigned. Peak 3995 (0.84, 0.99, 26.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: QD1 ILE 29 - HG13 ILE 29 Peak unassigned. Peak 3996 (0.98, 0.83, 15.61 ppm): 6 chemical-shift based assignments, quality = 0.197, support = 4.56, residual support = 49.4: QG2 ILE 29 - QD1 ILE 29 16.667% * 80.5544% (0.17 5.56 61.32) = 80.554% kept QG2 ILE 29 - QG1 VAL 13 16.667% * 9.8163% (0.17 0.70 0.02) = 9.816% kept QG2 VAL 99 - QG1 VAL 13 16.667% * 5.9580% (0.46 0.15 0.02) = 5.958% kept QG2 VAL 99 - QD1 ILE 29 16.667% * 3.1681% (0.48 0.08 0.02) = 3.168% kept QG2 VAL 73 - QD1 ILE 29 16.667% * 0.2553% (0.15 0.02 0.02) = 0.255% QG2 VAL 73 - QG1 VAL 13 16.667% * 0.2478% (0.15 0.02 0.02) = 0.248% Reference assignment not found: HG13 ILE 29 - QD1 ILE 29 Peak 3997 (0.84, 1.57, 27.07 ppm): 9 chemical-shift based assignments, quality = 0.652, support = 2.65, residual support = 36.7: T QD1 ILE 29 - HG LEU 17 11.111% * 66.0859% (0.79 1.0 10.00 2.01 17.08) = 66.086% kept O T QD2 LEU 17 - HG LEU 17 11.111% * 28.5935% (0.34 10.0 10.00 4.58 88.43) = 28.593% kept T QG1 VAL 13 - HG LEU 17 11.111% * 3.4854% (0.79 1.0 10.00 0.11 0.02) = 3.485% kept QG1 VAL 94 - HG LEU 17 11.111% * 1.1910% (0.55 1.0 1.00 0.52 7.18) = 1.191% kept HG2 LYS+ 117 - HG LEU 17 11.111% * 0.3244% (0.90 1.0 1.00 0.09 0.02) = 0.324% T QD2 LEU 90 - HG LEU 17 11.111% * 0.2118% (0.25 1.0 10.00 0.02 0.17) = 0.212% QG2 VAL 13 - HG LEU 17 11.111% * 0.0721% (0.86 1.0 1.00 0.02 0.02) = 0.072% QD1 LEU 90 - HG LEU 17 11.111% * 0.0190% (0.23 1.0 1.00 0.02 0.17) = 0.019% QG2 ILE 100 - HG LEU 17 11.111% * 0.0170% (0.20 1.0 1.00 0.02 0.02) = 0.017% Reference assignment not found: QD1 ILE 29 - HG12 ILE 29 Peak 3998 (2.64, 2.64, 40.90 ppm): 2 diagonal assignments: * HB3 ASP- 36 - HB3 ASP- 36 (0.50) kept HB3 ASP- 82 - HB3 ASP- 82 (0.17) kept Peak 3999 (2.54, 2.53, 40.90 ppm): 1 diagonal assignment: * HB2 ASP- 36 - HB2 ASP- 36 (0.57) kept Peak 4000 (0.69, 0.68, 21.81 ppm): 2 diagonal assignments: * QG2 VAL 94 - QG2 VAL 94 (0.69) kept QG2 THR 96 - QG2 THR 96 (0.06) kept Peak 4001 (1.79, 1.77, 25.39 ppm): 2 diagonal assignments: HG3 LYS+ 63 - HG3 LYS+ 63 (0.73) kept * HG2 PRO 31 - HG2 PRO 31 (0.71) kept Peak 4002 (1.68, 0.02, 16.87 ppm): 9 chemical-shift based assignments, quality = 0.813, support = 3.47, residual support = 58.4: O HG13 ILE 19 - QG2 ILE 19 11.111% * 57.1432% (0.83 10.0 1.00 5.02 96.53) = 57.143% kept * T HB3 MET 97 - QG2 ILE 19 11.111% * 40.3156% (0.80 1.0 10.00 1.47 7.98) = 40.316% kept HB3 MET 126 - QG2 ILE 19 11.111% * 1.8448% (0.86 1.0 1.00 0.62 0.02) = 1.845% kept T HB3 LYS+ 66 - QG2 ILE 19 11.111% * 0.4426% (0.64 1.0 10.00 0.02 0.02) = 0.443% HB3 LYS+ 81 - QG2 ILE 19 11.111% * 0.0660% (0.96 1.0 1.00 0.02 0.02) = 0.066% HD3 LYS+ 55 - QG2 ILE 19 11.111% * 0.0632% (0.92 1.0 1.00 0.02 0.02) = 0.063% HB ILE 100 - QG2 ILE 19 11.111% * 0.0470% (0.68 1.0 1.00 0.02 0.02) = 0.047% HG2 PRO 52 - QG2 ILE 19 11.111% * 0.0470% (0.68 1.0 1.00 0.02 0.02) = 0.047% HG3 ARG+ 84 - QG2 ILE 19 11.111% * 0.0307% (0.45 1.0 1.00 0.02 0.02) = 0.031% Peak 4003 (1.10, 1.08, 21.52 ppm): 2 diagonal assignments: * QG2 THR 95 - QG2 THR 95 (0.37) kept QG2 THR 61 - QG2 THR 61 (0.10) kept Peak 4004 (8.96, 2.20, 34.06 ppm): 36 chemical-shift based assignments, quality = 0.493, support = 1.84, residual support = 6.79: * HN MET 97 - HG3 MET 97 2.778% * 32.4746% (0.68 2.91 12.63) = 32.475% kept HN ARG+ 22 - HB VAL 99 2.778% * 12.4028% (0.37 2.02 9.22) = 12.403% kept HN MET 97 - HB VAL 99 2.778% * 11.5315% (0.71 0.99 1.69) = 11.532% kept HN THR 96 - HG3 MET 97 2.778% * 10.8890% (0.30 2.17 4.71) = 10.889% kept HN PHE 21 - HB VAL 99 2.778% * 9.0285% (0.24 2.27 4.45) = 9.028% kept HN ILE 19 - HG3 MET 97 2.778% * 5.1894% (0.57 0.56 7.98) = 5.189% kept HN ILE 19 - HG2 MET 126 2.778% * 3.5678% (0.68 0.32 0.02) = 3.568% kept HN ILE 19 - HG3 MET 126 2.778% * 2.6638% (0.54 0.30 0.02) = 2.664% kept HN ARG+ 22 - HG2 GLN 102 2.778% * 2.5220% (0.20 0.78 0.11) = 2.522% kept HN ARG+ 22 - HG3 MET 97 2.778% * 1.9594% (0.36 0.33 0.93) = 1.959% kept HN ARG+ 22 - HG3 GLN 102 2.778% * 1.5822% (0.17 0.55 0.11) = 1.582% kept HN MET 97 - HG2 GLN 102 2.778% * 1.1821% (0.37 0.19 0.02) = 1.182% kept HN MET 97 - HG3 GLN 102 2.778% * 1.0485% (0.33 0.19 0.02) = 1.048% kept HN ARG+ 22 - HG2 MET 126 2.778% * 0.6291% (0.43 0.09 0.02) = 0.629% HN THR 96 - HB VAL 99 2.778% * 0.4826% (0.32 0.09 0.02) = 0.483% HN MET 97 - HG2 MET 126 2.778% * 0.2679% (0.81 0.02 0.02) = 0.268% HN LEU 17 - HG2 MET 126 2.778% * 0.2478% (0.75 0.02 0.02) = 0.248% HN LEU 17 - HB VAL 99 2.778% * 0.2151% (0.65 0.02 0.32) = 0.215% HN MET 97 - HG3 MET 126 2.778% * 0.2120% (0.64 0.02 0.02) = 0.212% HN LEU 17 - HG3 MET 97 2.778% * 0.2064% (0.63 0.02 0.94) = 0.206% HN LEU 17 - HG3 MET 126 2.778% * 0.1962% (0.60 0.02 0.02) = 0.196% HN ILE 19 - HB VAL 99 2.778% * 0.1946% (0.59 0.02 0.02) = 0.195% HN PHE 21 - HG2 GLN 102 2.778% * 0.1925% (0.13 0.09 0.02) = 0.192% HN THR 96 - HG2 MET 126 2.778% * 0.1204% (0.37 0.02 0.02) = 0.120% HN LEU 17 - HG2 GLN 102 2.778% * 0.1129% (0.34 0.02 0.02) = 0.113% HN ARG+ 22 - HG3 MET 126 2.778% * 0.1118% (0.34 0.02 0.02) = 0.112% HN ILE 19 - HG2 GLN 102 2.778% * 0.1022% (0.31 0.02 0.02) = 0.102% HN LEU 17 - HG3 GLN 102 2.778% * 0.1002% (0.30 0.02 0.02) = 0.100% HN THR 96 - HG3 MET 126 2.778% * 0.0953% (0.29 0.02 0.02) = 0.095% HN PHE 21 - HG2 MET 126 2.778% * 0.0916% (0.28 0.02 0.41) = 0.092% HN ILE 19 - HG3 GLN 102 2.778% * 0.0906% (0.28 0.02 0.02) = 0.091% HN PHE 21 - HG3 MET 97 2.778% * 0.0763% (0.23 0.02 1.80) = 0.076% HN PHE 21 - HG3 MET 126 2.778% * 0.0725% (0.22 0.02 0.41) = 0.072% HN THR 96 - HG2 GLN 102 2.778% * 0.0549% (0.17 0.02 0.02) = 0.055% HN THR 96 - HG3 GLN 102 2.778% * 0.0487% (0.15 0.02 0.02) = 0.049% HN PHE 21 - HG3 GLN 102 2.778% * 0.0370% (0.11 0.02 0.02) = 0.037% Peak 4005 (8.96, 1.67, 34.43 ppm): 12 chemical-shift based assignments, quality = 0.904, support = 2.77, residual support = 11.9: * O HN MET 97 - HB3 MET 97 8.333% * 90.2239% (0.95 10.0 2.87 12.63) = 90.224% kept HN THR 96 - HB3 MET 97 8.333% * 5.6784% (0.43 1.0 2.80 4.71) = 5.678% kept HN ILE 19 - HB3 MET 97 8.333% * 2.8323% (0.80 1.0 0.75 7.98) = 2.832% kept HN ARG+ 22 - HB3 MET 97 8.333% * 0.7926% (0.50 1.0 0.33 0.93) = 0.793% HN MET 97 - HB3 LYS+ 66 8.333% * 0.0879% (0.93 1.0 0.02 0.02) = 0.088% HN LEU 17 - HB3 MET 97 8.333% * 0.0835% (0.88 1.0 0.02 0.94) = 0.083% HN LEU 17 - HB3 LYS+ 66 8.333% * 0.0813% (0.86 1.0 0.02 0.02) = 0.081% HN ILE 19 - HB3 LYS+ 66 8.333% * 0.0736% (0.77 1.0 0.02 0.02) = 0.074% HN ARG+ 22 - HB3 LYS+ 66 8.333% * 0.0463% (0.49 1.0 0.02 0.02) = 0.046% HN THR 96 - HB3 LYS+ 66 8.333% * 0.0395% (0.42 1.0 0.02 0.02) = 0.039% HN PHE 21 - HB3 MET 97 8.333% * 0.0308% (0.32 1.0 0.02 1.80) = 0.031% HN PHE 21 - HB3 LYS+ 66 8.333% * 0.0300% (0.32 1.0 0.02 0.02) = 0.030% Peak 4006 (4.96, 1.67, 34.43 ppm): 10 chemical-shift based assignments, quality = 0.828, support = 2.68, residual support = 11.7: * O HA MET 97 - HB3 MET 97 10.000% * 88.1185% (0.85 10.0 2.70 12.63) = 88.118% kept HA HIS+ 98 - HB3 MET 97 10.000% * 10.0895% (0.69 1.0 2.83 3.95) = 10.090% kept HA ILE 101 - HB3 LYS+ 66 10.000% * 1.4752% (0.38 1.0 0.75 9.41) = 1.475% kept HA MET 97 - HB3 LYS+ 66 10.000% * 0.0858% (0.83 1.0 0.02 0.02) = 0.086% HA HIS+ 98 - HB3 LYS+ 66 10.000% * 0.0695% (0.67 1.0 0.02 0.23) = 0.069% HA ILE 101 - HB3 MET 97 10.000% * 0.0404% (0.39 1.0 0.02 0.02) = 0.040% HA SER 69 - HB3 MET 97 10.000% * 0.0369% (0.36 1.0 0.02 0.02) = 0.037% HA SER 69 - HB3 LYS+ 66 10.000% * 0.0359% (0.35 1.0 0.02 0.02) = 0.036% HA ALA 33 - HB3 MET 97 10.000% * 0.0245% (0.24 1.0 0.02 0.02) = 0.025% HA ALA 33 - HB3 LYS+ 66 10.000% * 0.0239% (0.23 1.0 0.02 0.02) = 0.024% Peak 4007 (9.09, 1.66, 34.55 ppm): 4 chemical-shift based assignments, quality = 0.683, support = 4.35, residual support = 30.5: * O HN LYS+ 66 - HB3 LYS+ 66 25.000% * 99.7406% (0.69 10.0 4.37 30.57) = 99.741% kept HN LYS+ 66 - HB3 MET 97 25.000% * 0.0947% (0.65 1.0 0.02 0.02) = 0.095% HN GLU- 54 - HB3 LYS+ 66 25.000% * 0.0844% (0.58 1.0 0.02 0.02) = 0.084% HN GLU- 54 - HB3 MET 97 25.000% * 0.0802% (0.55 1.0 0.02 0.02) = 0.080% Peak 4008 (1.85, 1.85, 34.49 ppm): 3 diagonal assignments: HB3 LYS+ 60 - HB3 LYS+ 60 (0.83) kept * HB2 LYS+ 66 - HB2 LYS+ 66 (0.73) kept HB3 LYS+ 72 - HB3 LYS+ 72 (0.15) kept Peak 4009 (1.85, 1.66, 34.55 ppm): 22 chemical-shift based assignments, quality = 0.679, support = 3.29, residual support = 28.9: * O HB2 LYS+ 66 - HB3 LYS+ 66 4.545% * 94.5280% (0.69 10.0 3.46 30.57) = 94.528% kept HD2 PRO 59 - HB3 LYS+ 66 4.545% * 3.8564% (0.80 1.0 0.70 0.28) = 3.856% kept HB2 PRO 104 - HB3 LYS+ 66 4.545% * 0.1237% (0.90 1.0 0.02 0.02) = 0.124% HB3 LYS+ 72 - HB3 LYS+ 66 4.545% * 0.1234% (0.89 1.0 0.02 0.02) = 0.123% HB3 LYS+ 60 - HB3 LYS+ 66 4.545% * 0.1226% (0.89 1.0 0.02 0.02) = 0.123% HG2 PRO 112 - HB3 LYS+ 66 4.545% * 0.1194% (0.16 1.0 0.11 0.02) = 0.119% HB2 PRO 104 - HB3 MET 97 4.545% * 0.1175% (0.85 1.0 0.02 0.02) = 0.117% HB3 LYS+ 72 - HB3 MET 97 4.545% * 0.1172% (0.85 1.0 0.02 0.02) = 0.117% HB3 LYS+ 60 - HB3 MET 97 4.545% * 0.1164% (0.84 1.0 0.02 0.02) = 0.116% HB VAL 94 - HB3 LYS+ 66 4.545% * 0.1142% (0.83 1.0 0.02 0.02) = 0.114% HB VAL 94 - HB3 MET 97 4.545% * 0.1084% (0.79 1.0 0.02 0.02) = 0.108% HD2 PRO 59 - HB3 MET 97 4.545% * 0.1054% (0.76 1.0 0.02 0.02) = 0.105% HB2 LYS+ 66 - HB3 MET 97 4.545% * 0.0898% (0.65 1.0 0.02 0.02) = 0.090% HB2 PRO 59 - HB3 LYS+ 66 4.545% * 0.0509% (0.37 1.0 0.02 0.28) = 0.051% HB3 ARG+ 84 - HB3 LYS+ 66 4.545% * 0.0509% (0.37 1.0 0.02 0.02) = 0.051% HB3 ARG+ 84 - HB3 MET 97 4.545% * 0.0483% (0.35 1.0 0.02 0.02) = 0.048% HB2 PRO 59 - HB3 MET 97 4.545% * 0.0483% (0.35 1.0 0.02 0.02) = 0.048% HD3 PRO 52 - HB3 LYS+ 66 4.545% * 0.0464% (0.34 1.0 0.02 0.12) = 0.046% HD3 PRO 52 - HB3 MET 97 4.545% * 0.0441% (0.32 1.0 0.02 0.02) = 0.044% HG3 LYS+ 120 - HB3 LYS+ 66 4.545% * 0.0245% (0.18 1.0 0.02 0.02) = 0.024% HG3 LYS+ 120 - HB3 MET 97 4.545% * 0.0232% (0.17 1.0 0.02 0.02) = 0.023% HG2 PRO 112 - HB3 MET 97 4.545% * 0.0211% (0.15 1.0 0.02 0.02) = 0.021% Peak 4011 (1.09, 1.85, 34.49 ppm): 9 chemical-shift based assignments, quality = 0.633, support = 1.16, residual support = 3.05: QG2 THR 95 - HB2 LYS+ 66 11.111% * 54.9507% (0.80 1.23 0.90) = 54.951% kept QG2 THR 61 - HB3 LYS+ 60 11.111% * 16.8984% (0.13 2.32 15.13) = 16.898% kept QG2 THR 79 - HB3 LYS+ 60 11.111% * 13.8704% (0.61 0.40 0.02) = 13.870% kept QG2 THR 95 - HB3 LYS+ 60 11.111% * 12.6382% (0.70 0.32 0.02) = 12.638% kept QG2 THR 79 - HB2 LYS+ 66 11.111% * 0.7782% (0.69 0.02 0.02) = 0.778% QG2 THR 79 - HB3 LYS+ 72 11.111% * 0.5264% (0.11 0.08 0.02) = 0.526% QG2 THR 61 - HB2 LYS+ 66 11.111% * 0.1653% (0.15 0.02 0.02) = 0.165% QG2 THR 95 - HB3 LYS+ 72 11.111% * 0.1455% (0.13 0.02 0.02) = 0.146% QG2 THR 61 - HB3 LYS+ 72 11.111% * 0.0269% (0.02 0.02 0.02) = 0.027% Peak 4012 (2.15, 2.40, 34.10 ppm): 10 chemical-shift based assignments, quality = 0.643, support = 4.11, residual support = 36.3: * O HB3 LYS+ 78 - HB2 LYS+ 78 10.000% * 86.8235% (0.68 10.0 1.00 4.66 41.73) = 86.824% kept T HB2 ASP- 28 - HB2 LYS+ 78 10.000% * 12.4917% (0.40 1.0 10.00 0.49 0.47) = 12.492% kept HG2 PRO 112 - HB2 LYS+ 78 10.000% * 0.3881% (0.67 1.0 1.00 0.09 0.02) = 0.388% HB VAL 47 - HB2 LYS+ 78 10.000% * 0.0900% (0.71 1.0 1.00 0.02 0.02) = 0.090% HG2 PRO 104 - HB2 LYS+ 78 10.000% * 0.0653% (0.51 1.0 1.00 0.02 0.02) = 0.065% HB3 GLU- 75 - HB2 LYS+ 78 10.000% * 0.0550% (0.43 1.0 1.00 0.02 0.02) = 0.055% HG2 GLN 102 - HB2 LYS+ 78 10.000% * 0.0250% (0.20 1.0 1.00 0.02 0.02) = 0.025% HG2 GLU- 45 - HB2 LYS+ 78 10.000% * 0.0250% (0.20 1.0 1.00 0.02 0.02) = 0.025% HB2 ASP- 82 - HB2 LYS+ 78 10.000% * 0.0224% (0.18 1.0 1.00 0.02 0.92) = 0.022% HB VAL 105 - HB2 LYS+ 78 10.000% * 0.0139% (0.11 1.0 1.00 0.02 0.02) = 0.014% Peak 4013 (1.64, 2.40, 34.10 ppm): 12 chemical-shift based assignments, quality = 0.243, support = 3.96, residual support = 40.0: * O HG3 LYS+ 78 - HB2 LYS+ 78 8.333% * 95.8054% (0.24 10.0 4.12 41.73) = 95.805% kept HB ILE 68 - HB2 LYS+ 78 8.333% * 2.7968% (0.43 1.0 0.33 0.02) = 2.797% kept HG2 ARG+ 22 - HB2 LYS+ 78 8.333% * 0.2711% (0.68 1.0 0.02 0.02) = 0.271% HG LEU 23 - HB2 LYS+ 78 8.333% * 0.2040% (0.51 1.0 0.02 0.02) = 0.204% HG12 ILE 101 - HB2 LYS+ 78 8.333% * 0.1817% (0.46 1.0 0.02 0.02) = 0.182% HG LEU 43 - HB2 LYS+ 78 8.333% * 0.1704% (0.43 1.0 0.02 0.02) = 0.170% HB VAL 122 - HB2 LYS+ 78 8.333% * 0.1704% (0.43 1.0 0.02 0.02) = 0.170% HG3 ARG+ 84 - HB2 LYS+ 78 8.333% * 0.1367% (0.34 1.0 0.02 0.02) = 0.137% HB3 LYS+ 66 - HB2 LYS+ 78 8.333% * 0.0867% (0.22 1.0 0.02 0.02) = 0.087% HB ILE 100 - HB2 LYS+ 78 8.333% * 0.0781% (0.20 1.0 0.02 0.02) = 0.078% HB3 MET 97 - HB2 LYS+ 78 8.333% * 0.0556% (0.14 1.0 0.02 0.02) = 0.056% HB3 MET 126 - HB2 LYS+ 78 8.333% * 0.0433% (0.11 1.0 0.02 0.02) = 0.043% Peak 4014 (0.94, 3.45, 67.62 ppm): 10 chemical-shift based assignments, quality = 0.576, support = 2.14, residual support = 18.9: * O QG2 VAL 80 - HA VAL 80 10.000% * 73.0483% (0.47 10.0 2.54 25.64) = 73.048% kept QG2 VAL 62 - HA VAL 80 10.000% * 9.9388% (0.92 1.0 1.40 0.88) = 9.939% kept QG2 VAL 73 - HA VAL 80 10.000% * 8.6478% (0.84 1.0 1.33 0.57) = 8.648% kept QG1 VAL 105 - HA VAL 80 10.000% * 2.7921% (0.94 1.0 0.39 0.02) = 2.792% kept QG2 VAL 105 - HA VAL 80 10.000% * 2.6306% (0.89 1.0 0.38 0.02) = 2.631% kept QD1 LEU 17 - HA VAL 80 10.000% * 2.0091% (0.92 1.0 0.28 0.02) = 2.009% kept QG2 ILE 29 - HA VAL 80 10.000% * 0.6719% (0.81 1.0 0.11 0.02) = 0.672% HG12 ILE 68 - HA VAL 80 10.000% * 0.1031% (0.67 1.0 0.02 0.02) = 0.103% HG3 LYS+ 110 - HA VAL 80 10.000% * 0.0910% (0.59 1.0 0.02 0.02) = 0.091% QG2 VAL 99 - HA VAL 80 10.000% * 0.0673% (0.43 1.0 0.02 0.02) = 0.067% Peak 4015 (0.94, 1.10, 22.36 ppm): 10 chemical-shift based assignments, quality = 0.372, support = 1.25, residual support = 5.74: QG2 VAL 80 - QG2 THR 79 10.000% * 34.4996% (0.34 1.90 16.15) = 34.500% kept QG2 VAL 62 - QG2 THR 79 10.000% * 30.2571% (0.43 1.29 0.44) = 30.257% kept QG2 ILE 29 - QG2 THR 79 10.000% * 16.6429% (0.36 0.86 0.18) = 16.643% kept QG2 VAL 73 - QG2 THR 79 10.000% * 8.6895% (0.38 0.43 0.02) = 8.689% kept HG12 ILE 68 - QG2 THR 79 10.000% * 7.6351% (0.43 0.33 0.02) = 7.635% kept QG1 VAL 105 - QG2 THR 79 10.000% * 0.5603% (0.52 0.02 0.02) = 0.560% QD1 LEU 17 - QG2 THR 79 10.000% * 0.5590% (0.52 0.02 0.02) = 0.559% QG2 VAL 105 - QG2 THR 79 10.000% * 0.5553% (0.51 0.02 0.02) = 0.555% HG3 LYS+ 110 - QG2 THR 79 10.000% * 0.4282% (0.40 0.02 0.02) = 0.428% QG2 VAL 99 - QG2 THR 79 10.000% * 0.1729% (0.16 0.02 0.02) = 0.173% Peak 4016 (0.94, 0.94, 22.36 ppm): 2 diagonal assignments: QG2 VAL 62 - QG2 VAL 62 (0.73) kept QG2 VAL 73 - QG2 VAL 73 (0.59) kept Reference assignment not found: QG2 VAL 80 - QG2 VAL 80 Peak 4017 (8.60, 0.94, 22.36 ppm): 15 chemical-shift based assignments, quality = 0.526, support = 1.88, residual support = 8.01: HN LYS+ 20 - QG2 VAL 62 6.667% * 30.7402% (0.92 1.13 0.76) = 30.740% kept HN VAL 73 - QG2 VAL 73 6.667% * 30.4519% (0.27 3.79 24.82) = 30.452% kept HN VAL 80 - QG2 VAL 62 6.667% * 15.3640% (0.42 1.24 0.88) = 15.364% kept HN VAL 80 - QG2 VAL 73 6.667% * 13.8819% (0.39 1.19 0.57) = 13.882% kept HN VAL 73 - QG2 VAL 62 6.667% * 4.1519% (0.29 0.49 0.02) = 4.152% kept HN THR 39 - QG2 VAL 62 6.667% * 2.9190% (0.45 0.22 0.02) = 2.919% kept HN LYS+ 20 - QG2 VAL 73 6.667% * 1.9568% (0.87 0.08 0.02) = 1.957% kept HN THR 39 - QG2 VAL 73 6.667% * 0.2536% (0.43 0.02 0.18) = 0.254% HN SER 85 - QG2 VAL 62 6.667% * 0.0851% (0.14 0.02 0.02) = 0.085% HN SER 85 - QG2 VAL 73 6.667% * 0.0804% (0.14 0.02 0.02) = 0.080% HN LYS+ 20 - QG1 VAL 47 6.667% * 0.0478% (0.08 0.02 0.02) = 0.048% HN THR 39 - QG1 VAL 47 6.667% * 0.0235% (0.04 0.02 0.02) = 0.023% HN VAL 80 - QG1 VAL 47 6.667% * 0.0216% (0.04 0.02 0.02) = 0.022% HN VAL 73 - QG1 VAL 47 6.667% * 0.0149% (0.03 0.02 0.02) = 0.015% HN SER 85 - QG1 VAL 47 6.667% * 0.0074% (0.01 0.02 0.02) = 0.007% Reference assignment not found: HN VAL 80 - QG2 VAL 80 Peak 4018 (7.60, 0.90, 24.44 ppm): 4 chemical-shift based assignments, quality = 0.227, support = 0.289, residual support = 0.327: * HN LYS+ 78 - QG2 VAL 40 25.000% * 74.3022% (0.23 0.36 0.43) = 74.302% kept HD21 ASN 57 - QG2 VAL 40 25.000% * 14.9483% (0.16 0.11 0.02) = 14.948% kept HN ASP- 25 - QG2 VAL 40 25.000% * 5.6135% (0.32 0.02 0.02) = 5.613% kept HD21 ASN 15 - QG2 VAL 40 25.000% * 5.1360% (0.29 0.02 0.02) = 5.136% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 4019 (5.39, 0.90, 24.46 ppm): 1 chemical-shift based assignment, quality = 0.188, support = 2.31, residual support = 8.54: * T HA THR 79 - QG2 VAL 40 100.000% *100.0000% (0.19 10.00 2.31 8.54) = 100.000% kept Peak 4020 (1.64, 0.91, 25.91 ppm): 12 chemical-shift based assignments, quality = 0.507, support = 2.86, residual support = 18.8: T HB ILE 68 - QD1 LEU 67 8.333% * 48.1634% (0.52 10.00 4.14 34.86) = 48.163% kept * T HG LEU 43 - QD1 LEU 67 8.333% * 34.0345% (0.52 10.00 1.41 3.85) = 34.034% kept HG2 ARG+ 22 - QD1 LEU 67 8.333% * 6.5978% (0.83 1.00 1.72 0.70) = 6.598% kept HB3 LYS+ 66 - QD1 LEU 67 8.333% * 5.0362% (0.26 1.00 4.11 9.06) = 5.036% kept HB ILE 100 - QD1 LEU 67 8.333% * 2.2082% (0.24 1.00 2.00 8.63) = 2.208% kept HG3 ARG+ 84 - QD1 LEU 67 8.333% * 1.8854% (0.42 1.00 0.98 0.78) = 1.885% kept HG12 ILE 101 - QD1 LEU 67 8.333% * 0.9414% (0.55 1.00 0.37 0.02) = 0.941% HG3 LYS+ 78 - QD1 LEU 67 8.333% * 0.7571% (0.29 1.00 0.56 0.02) = 0.757% HG LEU 23 - QD1 LEU 67 8.333% * 0.2998% (0.62 1.00 0.10 0.02) = 0.300% HB VAL 122 - QD1 LEU 67 8.333% * 0.0482% (0.52 1.00 0.02 0.02) = 0.048% HB3 MET 97 - QD1 LEU 67 8.333% * 0.0157% (0.17 1.00 0.02 0.02) = 0.016% HB3 MET 126 - QD1 LEU 67 8.333% * 0.0123% (0.13 1.00 0.02 0.02) = 0.012% Peak 4021 (1.46, 5.56, 52.82 ppm): 8 chemical-shift based assignments, quality = 0.84, support = 5.97, residual support = 111.1: * O T HB3 LEU 67 - HA LEU 67 12.500% * 96.6007% (0.84 10.0 10.00 6.17 114.96) = 96.601% kept HG3 PRO 52 - HA LEU 67 12.500% * 3.0265% (0.86 1.0 1.00 0.62 0.14) = 3.026% kept HG13 ILE 48 - HA LEU 67 12.500% * 0.0932% (0.81 1.0 1.00 0.02 0.17) = 0.093% HG3 LYS+ 60 - HA LEU 67 12.500% * 0.0789% (0.69 1.0 1.00 0.02 0.02) = 0.079% HG2 PRO 59 - HA LEU 67 12.500% * 0.0789% (0.69 1.0 1.00 0.02 0.80) = 0.079% HB3 LYS+ 44 - HA LEU 67 12.500% * 0.0519% (0.45 1.0 1.00 0.02 0.80) = 0.052% QB ALA 70 - HA LEU 67 12.500% * 0.0480% (0.42 1.0 1.00 0.02 0.02) = 0.048% HG LEU 90 - HA LEU 67 12.500% * 0.0219% (0.19 1.0 1.00 0.02 0.02) = 0.022% Peak 4022 (1.65, 5.56, 52.82 ppm): 12 chemical-shift based assignments, quality = 0.579, support = 3.43, residual support = 11.5: HB3 LYS+ 66 - HA LEU 67 8.333% * 49.6828% (0.66 4.46 9.06) = 49.683% kept HB ILE 100 - HA LEU 67 8.333% * 16.0133% (0.62 1.51 8.63) = 16.013% kept HB ILE 68 - HA LEU 67 8.333% * 15.7112% (0.17 5.45 34.86) = 15.711% kept HG2 ARG+ 22 - HA LEU 67 8.333% * 10.6215% (0.75 0.84 0.70) = 10.621% kept HG3 ARG+ 84 - HA LEU 67 8.333% * 5.5905% (0.79 0.42 0.78) = 5.590% kept HG12 ILE 101 - HA LEU 67 8.333% * 1.4326% (0.19 0.44 0.02) = 1.433% kept HG LEU 43 - HA LEU 67 8.333% * 0.3695% (0.17 0.13 3.85) = 0.370% HB3 MET 97 - HA LEU 67 8.333% * 0.1769% (0.52 0.02 0.02) = 0.177% HB3 MET 126 - HA LEU 67 8.333% * 0.1534% (0.45 0.02 0.02) = 0.153% HB3 LYS+ 81 - HA LEU 67 8.333% * 0.1094% (0.32 0.02 0.02) = 0.109% HG LEU 23 - HA LEU 67 8.333% * 0.0811% (0.24 0.02 0.02) = 0.081% HB VAL 122 - HA LEU 67 8.333% * 0.0577% (0.17 0.02 0.02) = 0.058% Peak 4023 (1.41, 5.56, 52.82 ppm): 14 chemical-shift based assignments, quality = 0.799, support = 5.04, residual support = 103.0: * O HG LEU 67 - HA LEU 67 7.143% * 87.1897% (0.84 10.0 5.31 114.96) = 87.190% kept HG13 ILE 68 - HA LEU 67 7.143% * 6.3544% (0.24 1.0 5.14 34.86) = 6.354% kept HG13 ILE 100 - HA LEU 67 7.143% * 5.9334% (0.83 1.0 1.38 8.63) = 5.933% kept QB ALA 37 - HA LEU 67 7.143% * 0.0882% (0.85 1.0 0.02 0.02) = 0.088% QB ALA 93 - HA LEU 67 7.143% * 0.0858% (0.83 1.0 0.02 0.02) = 0.086% HD3 LYS+ 20 - HA LEU 67 7.143% * 0.0611% (0.59 1.0 0.02 0.02) = 0.061% HD3 LYS+ 44 - HA LEU 67 7.143% * 0.0611% (0.59 1.0 0.02 0.80) = 0.061% QB ALA 91 - HA LEU 67 7.143% * 0.0504% (0.49 1.0 0.02 0.02) = 0.050% QG2 THR 38 - HA LEU 67 7.143% * 0.0433% (0.42 1.0 0.02 0.10) = 0.043% HD3 LYS+ 113 - HA LEU 67 7.143% * 0.0334% (0.32 1.0 0.02 0.02) = 0.033% HG3 ARG+ 22 - HA LEU 67 7.143% * 0.0303% (0.29 1.0 0.02 0.70) = 0.030% HG3 LYS+ 55 - HA LEU 67 7.143% * 0.0303% (0.29 1.0 0.02 0.02) = 0.030% HG3 LYS+ 113 - HA LEU 67 7.143% * 0.0247% (0.24 1.0 0.02 0.02) = 0.025% QG2 THR 39 - HA LEU 67 7.143% * 0.0137% (0.13 1.0 0.02 0.02) = 0.014% Peak 4024 (0.81, 5.57, 52.81 ppm): 8 chemical-shift based assignments, quality = 0.898, support = 5.67, residual support = 107.9: * T QD2 LEU 67 - HA LEU 67 12.500% * 93.4599% (0.93 10.00 5.97 114.96) = 93.460% kept QD1 ILE 100 - HA LEU 67 12.500% * 5.3298% (0.60 1.00 1.76 8.63) = 5.330% kept QG1 VAL 13 - HA LEU 67 12.500% * 0.9554% (0.29 1.00 0.66 0.02) = 0.955% QD2 LEU 90 - HA LEU 67 12.500% * 0.0838% (0.83 1.00 0.02 0.02) = 0.084% QD2 LEU 17 - HA LEU 67 12.500% * 0.0748% (0.74 1.00 0.02 0.02) = 0.075% QG1 VAL 94 - HA LEU 67 12.500% * 0.0529% (0.52 1.00 0.02 0.02) = 0.053% QD1 ILE 29 - HA LEU 67 12.500% * 0.0288% (0.29 1.00 0.02 0.02) = 0.029% HG2 LYS+ 117 - HA LEU 67 12.500% * 0.0144% (0.14 1.00 0.02 0.02) = 0.014% Peak 4025 (0.73, 5.57, 52.81 ppm): 9 chemical-shift based assignments, quality = 0.855, support = 3.42, residual support = 17.8: QD1 ILE 68 - HA LEU 67 11.111% * 43.2093% (0.89 4.92 34.86) = 43.209% kept HG3 LYS+ 66 - HA LEU 67 11.111% * 28.6061% (0.88 3.32 9.06) = 28.606% kept QG2 VAL 65 - HA LEU 67 11.111% * 13.7468% (0.92 1.52 0.72) = 13.747% kept HG3 LYS+ 44 - HA LEU 67 11.111% * 6.6945% (0.88 0.78 0.80) = 6.694% kept QG2 ILE 101 - HA LEU 67 11.111% * 5.3755% (0.40 1.37 0.02) = 5.376% kept QG2 ILE 48 - HA LEU 67 11.111% * 2.0645% (0.57 0.37 0.17) = 2.065% kept QG1 VAL 40 - HA LEU 67 11.111% * 0.1721% (0.88 0.02 0.02) = 0.172% HG LEU 74 - HA LEU 67 11.111% * 0.1030% (0.52 0.02 17.09) = 0.103% QG2 THR 96 - HA LEU 67 11.111% * 0.0281% (0.14 0.02 0.02) = 0.028% Peak 4026 (6.88, 0.81, 27.87 ppm): 4 chemical-shift based assignments, quality = 0.901, support = 2.23, residual support = 9.46: * QD PHE 21 - QD2 LEU 67 25.000% * 77.4961% (0.99 2.65 11.03) = 77.496% kept HZ PHE 21 - QD2 LEU 67 25.000% * 8.2226% (0.17 1.60 11.03) = 8.223% kept HD22 ASN 15 - QD2 LEU 67 25.000% * 7.5842% (0.72 0.36 0.02) = 7.584% kept HD21 ASN 119 - QD2 LEU 67 25.000% * 6.6971% (0.96 0.24 0.02) = 6.697% kept Peak 4027 (0.03, 4.00, 70.67 ppm): 1 chemical-shift based assignment, quality = 0.904, support = 4.21, residual support = 33.7: * T QG2 ILE 19 - HB THR 95 100.000% *100.0000% (0.90 10.00 4.21 33.75) = 100.000% kept Peak 4028 (8.51, 1.89, 37.10 ppm): 1 chemical-shift based assignment, quality = 0.244, support = 0.02, residual support = 0.02: HN GLU- 10 - HG2 GLU- 18 100.000% *100.0000% (0.24 0.02 0.02) = 100.000% kept Reference assignment not found: HN GLU- 18 - HG2 GLU- 18 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 4030 (8.99, 1.72, 31.20 ppm): 2 chemical-shift based assignments, quality = 0.414, support = 0.573, residual support = 1.27: HN ILE 19 - HB2 GLN 16 50.000% * 58.1805% (0.55 0.43 1.50) = 58.180% kept HN MET 97 - HB2 GLN 16 50.000% * 41.8195% (0.22 0.78 0.96) = 41.820% kept Reference assignment not found: HN LEU 17 - HB2 GLN 16 Peak 4031 (1.15, 1.72, 31.21 ppm): 7 chemical-shift based assignments, quality = 0.716, support = 0.717, residual support = 1.36: QB ALA 33 - HB2 GLN 16 14.286% * 46.4650% (0.94 0.89 2.54) = 46.465% kept HG3 PRO 59 - HB2 GLN 16 14.286% * 24.7651% (0.65 0.69 0.55) = 24.765% kept HB2 LEU 43 - HB2 GLN 16 14.286% * 11.1065% (0.43 0.47 0.13) = 11.107% kept QG2 THR 106 - HB2 GLN 16 14.286% * 10.7959% (0.32 0.60 0.23) = 10.796% kept HG3 LYS+ 32 - HB2 GLN 16 14.286% * 6.2559% (0.54 0.21 0.02) = 6.256% kept HD3 LYS+ 111 - HB2 GLN 16 14.286% * 0.4698% (0.43 0.02 0.02) = 0.470% QG2 THR 61 - HB2 GLN 16 14.286% * 0.1418% (0.13 0.02 0.02) = 0.142% Peak 4032 (0.84, 1.36, 45.37 ppm): 9 chemical-shift based assignments, quality = 0.35, support = 4.44, residual support = 71.0: * O T QD2 LEU 17 - HB3 LEU 17 11.111% * 78.9287% (0.30 10.0 10.00 5.09 88.43) = 78.929% kept QG1 VAL 94 - HB3 LEU 17 11.111% * 16.7418% (0.51 1.0 1.00 2.49 7.18) = 16.742% kept QG2 VAL 13 - HB3 LEU 17 11.111% * 1.1299% (0.95 1.0 1.00 0.09 0.02) = 1.130% kept QG1 VAL 13 - HB3 LEU 17 11.111% * 1.0800% (0.77 1.0 1.00 0.11 0.02) = 1.080% kept HG2 LYS+ 117 - HB3 LEU 17 11.111% * 1.0601% (0.93 1.0 1.00 0.09 0.02) = 1.060% kept QD2 LEU 90 - HB3 LEU 17 11.111% * 0.7047% (0.22 1.0 1.00 0.25 0.17) = 0.705% QD1 ILE 29 - HB3 LEU 17 11.111% * 0.2048% (0.77 1.0 1.00 0.02 17.08) = 0.205% QD1 LEU 90 - HB3 LEU 17 11.111% * 0.0789% (0.30 1.0 1.00 0.02 0.17) = 0.079% QG2 ILE 100 - HB3 LEU 17 11.111% * 0.0711% (0.27 1.0 1.00 0.02 0.02) = 0.071% Peak 4033 (0.70, 1.36, 45.37 ppm): 10 chemical-shift based assignments, quality = 0.733, support = 1.85, residual support = 5.98: T QG2 VAL 94 - HB3 LEU 17 10.000% * 57.5444% (0.66 10.00 2.33 7.18) = 57.544% kept T QG2 THR 96 - HB3 LEU 17 10.000% * 29.1126% (0.89 10.00 0.75 0.22) = 29.113% kept QD1 ILE 19 - HB3 LEU 17 10.000% * 7.6666% (0.74 1.00 2.40 13.75) = 7.667% kept HG12 ILE 19 - HB3 LEU 17 10.000% * 5.3177% (0.63 1.00 1.96 13.75) = 5.318% kept QG1 VAL 65 - HB3 LEU 17 10.000% * 0.0836% (0.97 1.00 0.02 0.02) = 0.084% QG2 ILE 101 - HB3 LEU 17 10.000% * 0.0835% (0.96 1.00 0.02 0.02) = 0.084% QG2 ILE 48 - HB3 LEU 17 10.000% * 0.0799% (0.92 1.00 0.02 0.02) = 0.080% QG2 ILE 68 - HB3 LEU 17 10.000% * 0.0575% (0.66 1.00 0.02 0.02) = 0.058% HG LEU 74 - HB3 LEU 17 10.000% * 0.0376% (0.43 1.00 0.02 0.02) = 0.038% QG1 VAL 62 - HB3 LEU 17 10.000% * 0.0166% (0.19 1.00 0.02 0.02) = 0.017% Peak 4034 (0.69, 1.75, 45.37 ppm): 9 chemical-shift based assignments, quality = 0.951, support = 1.96, residual support = 11.0: QD1 ILE 19 - HB2 LEU 17 11.111% * 37.5658% (1.00 1.00 2.50 13.75) = 37.566% kept HG12 ILE 19 - HB2 LEU 17 11.111% * 32.3535% (0.99 1.00 2.17 13.75) = 32.354% kept QG2 VAL 94 - HB2 LEU 17 11.111% * 19.5997% (1.00 1.00 1.31 7.18) = 19.600% kept QG2 THR 96 - HB2 LEU 17 11.111% * 6.5360% (0.49 1.00 0.89 0.22) = 6.536% kept T QG2 ILE 48 - HB2 LEU 17 11.111% * 2.9975% (1.00 10.00 0.02 0.02) = 2.998% kept QG2 ILE 68 - HB2 LEU 17 11.111% * 0.3000% (1.00 1.00 0.02 0.02) = 0.300% QG2 ILE 101 - HB2 LEU 17 11.111% * 0.2586% (0.86 1.00 0.02 0.02) = 0.259% QG1 VAL 65 - HB2 LEU 17 11.111% * 0.2065% (0.69 1.00 0.02 0.02) = 0.207% QG1 VAL 62 - HB2 LEU 17 11.111% * 0.1823% (0.61 1.00 0.02 0.02) = 0.182% Peak 4035 (0.02, 1.08, 21.52 ppm): 2 chemical-shift based assignments, quality = 0.94, support = 3.35, residual support = 32.0: * T QG2 ILE 19 - QG2 THR 95 50.000% * 94.7441% (0.98 10.00 3.51 33.75) = 94.744% kept T QG2 ILE 19 - QG2 THR 61 50.000% * 5.2559% (0.20 10.00 0.56 0.47) = 5.256% kept Peak 4036 (4.96, 2.28, 34.06 ppm): 5 chemical-shift based assignments, quality = 0.0274, support = 0.502, residual support = 2.1: HA ALA 33 - HG3 GLN 16 20.000% * 79.8408% (0.02 0.62 2.54) = 79.841% kept HA MET 97 - HG3 GLN 16 20.000% * 6.9254% (0.06 0.02 0.96) = 6.925% kept HA HIS+ 98 - HG3 GLN 16 20.000% * 6.6391% (0.06 0.02 0.02) = 6.639% kept HA ILE 101 - HG3 GLN 16 20.000% * 4.0358% (0.03 0.02 0.02) = 4.036% kept HA SER 69 - HG3 GLN 16 20.000% * 2.5591% (0.02 0.02 0.02) = 2.559% kept Not enough quality. Peak unassigned. Peak 4037 (2.28, 2.28, 34.06 ppm): 10 chemical-shift based assignments, quality = 0.0456, support = 0.02, residual support = 0.0515: T HG3 GLU- 75 - HG3 GLN 16 10.000% * 30.5167% (0.05 10.00 0.02 0.02) = 30.517% kept T HB VAL 80 - HG3 GLN 16 10.000% * 27.4292% (0.05 10.00 0.02 0.02) = 27.429% kept T HG3 GLU- 54 - HG3 GLN 16 10.000% * 13.6209% (0.02 10.00 0.02 0.02) = 13.621% kept T HG3 GLU- 107 - HG3 GLN 16 10.000% * 11.1024% (0.02 10.00 0.02 0.30) = 11.102% kept HB2 LYS+ 44 - HG3 GLN 16 10.000% * 3.8537% (0.07 1.00 0.02 0.02) = 3.854% kept HG2 PRO 112 - HG3 GLN 16 10.000% * 3.8157% (0.07 1.00 0.02 0.02) = 3.816% kept HB3 PRO 112 - HG3 GLN 16 10.000% * 3.6060% (0.06 1.00 0.02 0.02) = 3.606% kept HB3 LYS+ 117 - HG3 GLN 16 10.000% * 3.0517% (0.05 1.00 0.02 0.02) = 3.052% kept HB3 PRO 116 - HG3 GLN 16 10.000% * 1.6416% (0.03 1.00 0.02 0.02) = 1.642% kept HG2 GLU- 64 - HG3 GLN 16 10.000% * 1.3621% (0.02 1.00 0.02 0.02) = 1.362% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 4038 (0.02, 2.28, 34.06 ppm): 1 chemical-shift based assignment, quality = 0.0638, support = 0.234, residual support = 1.5: T QG2 ILE 19 - HG3 GLN 16 100.000% *100.0000% (0.06 10.00 0.23 1.50) = 100.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 4039 (2.19, 2.20, 34.06 ppm): 6 diagonal assignments: HG2 MET 126 - HG2 MET 126 (0.81) kept HB VAL 99 - HB VAL 99 (0.54) kept HG3 MET 126 - HG3 MET 126 (0.29) kept * HG3 MET 97 - HG3 MET 97 (0.23) kept HG2 GLN 102 - HG2 GLN 102 (0.18) kept HG3 GLN 102 - HG3 GLN 102 (0.04) kept Peak 4040 (1.68, 2.28, 34.06 ppm): 9 chemical-shift based assignments, quality = 0.0579, support = 0.328, residual support = 0.511: T HG2 PRO 52 - HG3 GLN 16 11.111% * 61.3469% (0.06 10.00 0.20 0.12) = 61.347% kept HG13 ILE 19 - HG3 GLN 16 11.111% * 26.0614% (0.07 1.00 0.77 1.50) = 26.061% kept T HB3 MET 97 - HG3 GLN 16 11.111% * 4.6456% (0.05 10.00 0.02 0.96) = 4.646% kept T HB3 LYS+ 66 - HG3 GLN 16 11.111% * 3.4955% (0.03 10.00 0.02 0.02) = 3.496% kept T HG3 ARG+ 84 - HG3 GLN 16 11.111% * 2.2165% (0.02 10.00 0.02 0.02) = 2.216% kept HD3 LYS+ 55 - HG3 GLN 16 11.111% * 0.7118% (0.07 1.00 0.02 0.02) = 0.712% HB3 LYS+ 81 - HG3 GLN 16 11.111% * 0.6229% (0.06 1.00 0.02 0.02) = 0.623% HB3 MET 126 - HG3 GLN 16 11.111% * 0.5215% (0.05 1.00 0.02 0.02) = 0.521% HB ILE 100 - HG3 GLN 16 11.111% * 0.3778% (0.04 1.00 0.02 0.02) = 0.378% Not enough quality. Peak unassigned. Peak 4041 (1.68, 2.20, 34.06 ppm): 54 chemical-shift based assignments, quality = 0.469, support = 1.57, residual support = 6.13: * O T HB3 MET 97 - HG3 MET 97 1.852% * 39.1465% (0.44 10.0 10.00 2.36 12.63) = 39.146% kept O HB3 MET 126 - HG2 MET 126 1.852% * 26.3859% (0.59 10.0 1.00 1.00 0.67) = 26.386% kept O HB3 MET 126 - HG3 MET 126 1.852% * 20.8860% (0.47 10.0 1.00 1.00 0.67) = 20.886% kept HB ILE 100 - HB VAL 99 1.852% * 4.9111% (0.37 1.0 1.00 2.96 13.75) = 4.911% kept HG13 ILE 19 - HG3 MET 97 1.852% * 2.4241% (0.64 1.0 1.00 0.85 7.98) = 2.424% kept HG13 ILE 19 - HG2 MET 126 1.852% * 1.0998% (0.77 1.0 1.00 0.32 0.02) = 1.100% kept HG13 ILE 19 - HG3 MET 126 1.852% * 0.8211% (0.61 1.0 1.00 0.30 0.02) = 0.821% T HG2 PRO 52 - HG3 MET 97 1.852% * 0.5055% (0.57 1.0 10.00 0.02 0.02) = 0.505% T HG2 PRO 52 - HG3 MET 126 1.852% * 0.4805% (0.54 1.0 10.00 0.02 0.02) = 0.480% T HB3 MET 97 - HG3 MET 126 1.852% * 0.3721% (0.42 1.0 10.00 0.02 0.02) = 0.372% T HB3 LYS+ 66 - HG3 MET 97 1.852% * 0.2946% (0.33 1.0 10.00 0.02 0.02) = 0.295% T HB3 LYS+ 66 - HG3 MET 126 1.852% * 0.2800% (0.31 1.0 10.00 0.02 0.02) = 0.280% T HG2 PRO 52 - HG3 GLN 102 1.852% * 0.2454% (0.28 1.0 10.00 0.02 0.02) = 0.245% T HB3 MET 97 - HG3 GLN 102 1.852% * 0.1900% (0.21 1.0 10.00 0.02 0.02) = 0.190% T HG3 ARG+ 84 - HG3 MET 97 1.852% * 0.1868% (0.21 1.0 10.00 0.02 0.02) = 0.187% T HG3 ARG+ 84 - HG3 MET 126 1.852% * 0.1776% (0.20 1.0 10.00 0.02 0.02) = 0.178% T HB3 LYS+ 66 - HG3 GLN 102 1.852% * 0.1430% (0.16 1.0 10.00 0.02 0.02) = 0.143% T HG3 ARG+ 84 - HG3 GLN 102 1.852% * 0.0907% (0.10 1.0 10.00 0.02 0.02) = 0.091% HD3 LYS+ 55 - HG2 MET 126 1.852% * 0.0720% (0.81 1.0 1.00 0.02 0.02) = 0.072% HB3 LYS+ 81 - HG2 MET 126 1.852% * 0.0630% (0.71 1.0 1.00 0.02 0.02) = 0.063% HD3 LYS+ 55 - HB VAL 99 1.852% * 0.0625% (0.70 1.0 1.00 0.02 0.02) = 0.063% HG2 PRO 52 - HG2 MET 126 1.852% * 0.0607% (0.68 1.0 1.00 0.02 0.02) = 0.061% HD3 LYS+ 55 - HG3 MET 97 1.852% * 0.0600% (0.67 1.0 1.00 0.02 0.02) = 0.060% HG13 ILE 19 - HB VAL 99 1.852% * 0.0597% (0.67 1.0 1.00 0.02 0.02) = 0.060% HD3 LYS+ 55 - HG3 MET 126 1.852% * 0.0570% (0.64 1.0 1.00 0.02 0.02) = 0.057% HB3 LYS+ 81 - HB VAL 99 1.852% * 0.0547% (0.61 1.0 1.00 0.02 0.36) = 0.055% HG2 PRO 52 - HB VAL 99 1.852% * 0.0527% (0.59 1.0 1.00 0.02 1.02) = 0.053% HB3 LYS+ 81 - HG3 MET 97 1.852% * 0.0525% (0.59 1.0 1.00 0.02 0.02) = 0.052% HB3 LYS+ 81 - HG3 MET 126 1.852% * 0.0499% (0.56 1.0 1.00 0.02 0.02) = 0.050% HB3 MET 97 - HG2 MET 126 1.852% * 0.0470% (0.53 1.0 1.00 0.02 0.02) = 0.047% HB3 MET 126 - HB VAL 99 1.852% * 0.0458% (0.51 1.0 1.00 0.02 0.02) = 0.046% HB3 MET 126 - HG3 MET 97 1.852% * 0.0439% (0.49 1.0 1.00 0.02 0.02) = 0.044% HB3 MET 97 - HB VAL 99 1.852% * 0.0408% (0.46 1.0 1.00 0.02 1.69) = 0.041% HB ILE 100 - HG2 MET 126 1.852% * 0.0382% (0.43 1.0 1.00 0.02 0.02) = 0.038% HB3 LYS+ 66 - HG2 MET 126 1.852% * 0.0354% (0.40 1.0 1.00 0.02 0.02) = 0.035% HD3 LYS+ 55 - HG2 GLN 102 1.852% * 0.0328% (0.37 1.0 1.00 0.02 0.02) = 0.033% HB ILE 100 - HG3 MET 97 1.852% * 0.0318% (0.36 1.0 1.00 0.02 0.02) = 0.032% HG13 ILE 19 - HG2 GLN 102 1.852% * 0.0313% (0.35 1.0 1.00 0.02 0.02) = 0.031% HB3 LYS+ 66 - HB VAL 99 1.852% * 0.0307% (0.34 1.0 1.00 0.02 0.02) = 0.031% HB ILE 100 - HG3 MET 126 1.852% * 0.0303% (0.34 1.0 1.00 0.02 0.02) = 0.030% HD3 LYS+ 55 - HG3 GLN 102 1.852% * 0.0291% (0.33 1.0 1.00 0.02 0.02) = 0.029% HB3 LYS+ 81 - HG2 GLN 102 1.852% * 0.0287% (0.32 1.0 1.00 0.02 0.02) = 0.029% HG13 ILE 19 - HG3 GLN 102 1.852% * 0.0278% (0.31 1.0 1.00 0.02 0.02) = 0.028% HG2 PRO 52 - HG2 GLN 102 1.852% * 0.0277% (0.31 1.0 1.00 0.02 0.02) = 0.028% HB3 LYS+ 81 - HG3 GLN 102 1.852% * 0.0255% (0.29 1.0 1.00 0.02 0.02) = 0.025% HB3 MET 126 - HG2 GLN 102 1.852% * 0.0240% (0.27 1.0 1.00 0.02 0.02) = 0.024% HG3 ARG+ 84 - HG2 MET 126 1.852% * 0.0224% (0.25 1.0 1.00 0.02 0.02) = 0.022% HB3 MET 97 - HG2 GLN 102 1.852% * 0.0214% (0.24 1.0 1.00 0.02 0.02) = 0.021% HB3 MET 126 - HG3 GLN 102 1.852% * 0.0213% (0.24 1.0 1.00 0.02 0.02) = 0.021% HG3 ARG+ 84 - HB VAL 99 1.852% * 0.0195% (0.22 1.0 1.00 0.02 0.02) = 0.019% HB ILE 100 - HG2 GLN 102 1.852% * 0.0174% (0.20 1.0 1.00 0.02 0.14) = 0.017% HB3 LYS+ 66 - HG2 GLN 102 1.852% * 0.0161% (0.18 1.0 1.00 0.02 0.02) = 0.016% HB ILE 100 - HG3 GLN 102 1.852% * 0.0155% (0.17 1.0 1.00 0.02 0.14) = 0.015% HG3 ARG+ 84 - HG2 GLN 102 1.852% * 0.0102% (0.11 1.0 1.00 0.02 0.02) = 0.010% Peak 4042 (8.96, 2.28, 34.06 ppm): 6 chemical-shift based assignments, quality = 0.0649, support = 2.93, residual support = 10.9: HN LEU 17 - HG3 GLN 16 16.667% * 55.0948% (0.07 3.96 18.76) = 55.095% kept HN ILE 19 - HG3 GLN 16 16.667% * 25.3554% (0.06 2.01 1.50) = 25.355% kept HN MET 97 - HG3 GLN 16 16.667% * 19.1528% (0.07 1.27 0.96) = 19.153% kept HN ARG+ 22 - HG3 GLN 16 16.667% * 0.1588% (0.04 0.02 0.02) = 0.159% HN THR 96 - HG3 GLN 16 16.667% * 0.1353% (0.03 0.02 0.02) = 0.135% HN PHE 21 - HG3 GLN 16 16.667% * 0.1029% (0.02 0.02 0.02) = 0.103% Peak 4043 (0.03, 1.66, 34.47 ppm): 2 chemical-shift based assignments, quality = 0.812, support = 1.45, residual support = 7.87: * T QG2 ILE 19 - HB3 MET 97 50.000% * 98.5310% (0.81 10.00 1.47 7.98) = 98.531% kept T QG2 ILE 19 - HB3 LYS+ 66 50.000% * 1.4690% (0.89 10.00 0.02 0.02) = 1.469% kept Peak 4044 (2.29, 0.02, 16.85 ppm): 9 chemical-shift based assignments, quality = 0.723, support = 0.903, residual support = 0.84: HG2 PRO 112 - QG2 ILE 19 11.111% * 43.0800% (0.94 0.91 1.03) = 43.080% kept HB3 PRO 112 - QG2 ILE 19 11.111% * 38.0449% (0.63 1.22 1.03) = 38.045% kept HB VAL 80 - QG2 ILE 19 11.111% * 6.9530% (0.37 0.37 0.02) = 6.953% kept HB3 LYS+ 117 - QG2 ILE 19 11.111% * 6.2133% (0.45 0.28 0.02) = 6.213% kept HB3 PRO 116 - QG2 ILE 19 11.111% * 3.5147% (0.73 0.10 0.02) = 3.515% kept HB2 LYS+ 44 - QG2 ILE 19 11.111% * 0.9644% (0.96 0.02 0.02) = 0.964% HG2 GLU- 64 - QG2 ILE 19 11.111% * 0.6464% (0.65 0.02 0.02) = 0.646% HG3 GLU- 75 - QG2 ILE 19 11.111% * 0.4480% (0.45 0.02 0.02) = 0.448% HG3 GLU- 54 - QG2 ILE 19 11.111% * 0.1352% (0.14 0.02 0.02) = 0.135% Peak 4045 (1.69, 1.66, 34.55 ppm): 2 diagonal assignments: HB3 MET 97 - HB3 MET 97 (0.26) kept * HB3 LYS+ 66 - HB3 LYS+ 66 (0.18) kept Peak 4046 (0.74, 1.66, 34.55 ppm): 16 chemical-shift based assignments, quality = 0.865, support = 3.23, residual support = 26.0: * O HG3 LYS+ 66 - HB3 LYS+ 66 6.250% * 80.6874% (0.90 10.0 3.56 30.57) = 80.687% kept QG2 VAL 65 - HB3 LYS+ 66 6.250% * 10.4763% (0.80 1.0 2.90 12.79) = 10.476% kept QD1 ILE 68 - HB3 LYS+ 66 6.250% * 3.6188% (0.75 1.0 1.07 0.02) = 3.619% kept HG3 LYS+ 44 - HB3 LYS+ 66 6.250% * 2.5121% (0.90 1.0 0.62 0.24) = 2.512% kept QD1 ILE 68 - HB3 MET 97 6.250% * 1.1612% (0.71 1.0 0.36 0.46) = 1.161% kept HG3 LYS+ 66 - HB3 MET 97 6.250% * 0.8569% (0.85 1.0 0.22 0.02) = 0.857% QG2 ILE 48 - HB3 LYS+ 66 6.250% * 0.2623% (0.50 1.0 0.12 0.02) = 0.262% HG3 LYS+ 44 - HB3 MET 97 6.250% * 0.0766% (0.85 1.0 0.02 0.02) = 0.077% QG2 VAL 65 - HB3 MET 97 6.250% * 0.0687% (0.76 1.0 0.02 0.02) = 0.069% QG1 VAL 40 - HB3 LYS+ 66 6.250% * 0.0646% (0.72 1.0 0.02 0.02) = 0.065% QG1 VAL 40 - HB3 MET 97 6.250% * 0.0614% (0.68 1.0 0.02 0.02) = 0.061% QG2 ILE 48 - HB3 MET 97 6.250% * 0.0429% (0.48 1.0 0.02 0.02) = 0.043% HG LEU 74 - HB3 LYS+ 66 6.250% * 0.0303% (0.34 1.0 0.02 0.11) = 0.030% HG LEU 74 - HB3 MET 97 6.250% * 0.0288% (0.32 1.0 0.02 1.03) = 0.029% QG2 ILE 101 - HB3 LYS+ 66 6.250% * 0.0266% (0.30 1.0 0.02 9.41) = 0.027% QG2 ILE 101 - HB3 MET 97 6.250% * 0.0252% (0.28 1.0 0.02 0.02) = 0.025% Peak 4047 (8.99, 1.89, 37.10 ppm): 2 chemical-shift based assignments, quality = 0.492, support = 4.4, residual support = 23.5: * HN ILE 19 - HG2 GLU- 18 50.000% * 93.1111% (0.51 4.66 25.23) = 93.111% kept HN MET 97 - HG2 GLU- 18 50.000% * 6.8889% (0.19 0.92 0.02) = 6.889% kept Peak 4048 (1.14, 2.21, 36.97 ppm): 12 chemical-shift based assignments, quality = 0.723, support = 2.16, residual support = 5.35: * QB ALA 33 - HG3 GLU- 18 8.333% * 54.3884% (0.73 2.89 8.16) = 54.388% kept HG3 LYS+ 32 - HG3 GLU- 18 8.333% * 32.8088% (0.78 1.64 2.77) = 32.809% kept HD3 LYS+ 111 - HG3 GLU- 18 8.333% * 8.6557% (0.70 0.48 0.02) = 8.656% kept QG2 THR 61 - HG3 GLU- 18 8.333% * 3.3884% (0.35 0.38 0.02) = 3.388% kept HG3 LYS+ 32 - HG3 GLU- 109 8.333% * 0.1471% (0.28 0.02 0.02) = 0.147% QB ALA 33 - HG3 GLU- 109 8.333% * 0.1382% (0.27 0.02 0.02) = 0.138% HG3 PRO 59 - HG3 GLU- 18 8.333% * 0.1341% (0.26 0.02 0.02) = 0.134% HD3 LYS+ 111 - HG3 GLU- 109 8.333% * 0.1331% (0.26 0.02 0.02) = 0.133% HB2 LEU 43 - HG3 GLU- 18 8.333% * 0.0670% (0.13 0.02 0.02) = 0.067% QG2 THR 61 - HG3 GLU- 109 8.333% * 0.0655% (0.13 0.02 0.02) = 0.065% HG3 PRO 59 - HG3 GLU- 109 8.333% * 0.0492% (0.10 0.02 0.02) = 0.049% HB2 LEU 43 - HG3 GLU- 109 8.333% * 0.0246% (0.05 0.02 0.02) = 0.025% Peak 4049 (8.19, 1.72, 31.20 ppm): 6 chemical-shift based assignments, quality = 0.47, support = 4.1, residual support = 50.6: * O HN GLN 16 - HB2 GLN 16 16.667% * 78.7344% (0.37 10.0 4.81 63.73) = 78.734% kept HN ALA 33 - HB2 GLN 16 16.667% * 17.9292% (0.98 1.0 1.71 2.54) = 17.929% kept HN VAL 94 - HB2 GLN 16 16.667% * 1.7489% (0.30 1.0 0.54 0.02) = 1.749% kept HN ALA 11 - HB2 GLN 16 16.667% * 0.9719% (0.48 1.0 0.19 0.02) = 0.972% HN GLU- 45 - HB2 GLN 16 16.667% * 0.5440% (0.55 1.0 0.09 0.02) = 0.544% HN VAL 105 - HB2 GLN 16 16.667% * 0.0716% (0.33 1.0 0.02 0.02) = 0.072% Peak 4050 (8.20, 1.89, 31.14 ppm): 6 chemical-shift based assignments, quality = 0.403, support = 3.87, residual support = 50.0: * O HN GLN 16 - HB3 GLN 16 16.667% * 77.7974% (0.29 10.0 4.67 63.73) = 77.797% kept HN ALA 33 - HB3 GLN 16 16.667% * 16.1634% (0.93 1.0 1.31 2.54) = 16.163% kept HN ALA 11 - HB3 GLN 16 16.667% * 2.6336% (0.54 1.0 0.37 0.02) = 2.634% kept HN VAL 94 - HB3 GLN 16 16.667% * 2.5552% (0.36 1.0 0.54 0.02) = 2.555% kept HN GLU- 45 - HB3 GLN 16 16.667% * 0.7468% (0.62 1.0 0.09 0.02) = 0.747% HN VAL 105 - HB3 GLN 16 16.667% * 0.1036% (0.39 1.0 0.02 0.02) = 0.104% Peak 4051 (1.76, 1.76, 31.42 ppm): 1 diagonal assignment: * HB3 GLU- 18 - HB3 GLU- 18 (0.19) kept Peak 4052 (2.02, 2.02, 31.43 ppm): 2 diagonal assignments: * HB2 GLU- 18 - HB2 GLU- 18 (0.38) kept HB3 GLU- 75 - HB3 GLU- 75 (0.17) kept Peak 4053 (8.74, 3.44, 66.51 ppm): 10 chemical-shift based assignments, quality = 0.403, support = 3.86, residual support = 30.4: O HN VAL 62 - HA VAL 62 10.000% * 81.2264% (0.43 10.0 4.21 32.46) = 81.226% kept * O HN VAL 40 - HA VAL 40 10.000% * 9.2850% (0.05 10.0 4.28 43.10) = 9.285% kept HN GLU- 56 - HA VAL 62 10.000% * 3.6139% (0.95 1.0 0.40 0.02) = 3.614% kept HN ILE 101 - HA VAL 40 10.000% * 2.6726% (0.36 1.0 0.78 0.59) = 2.673% kept HN GLU- 56 - HA VAL 40 10.000% * 1.8431% (0.36 1.0 0.54 0.53) = 1.843% kept HN ILE 101 - HA VAL 62 10.000% * 0.8181% (0.95 1.0 0.09 0.77) = 0.818% HN PHE 34 - HA VAL 62 10.000% * 0.4665% (0.27 1.0 0.19 0.02) = 0.467% HN VAL 62 - HA VAL 40 10.000% * 0.0308% (0.16 1.0 0.02 0.02) = 0.031% HN VAL 40 - HA VAL 62 10.000% * 0.0245% (0.13 1.0 0.02 0.02) = 0.025% HN PHE 34 - HA VAL 40 10.000% * 0.0191% (0.10 1.0 0.02 0.02) = 0.019% Peak 4054 (0.89, 0.90, 24.48 ppm): 1 diagonal assignment: * QG2 VAL 40 - QG2 VAL 40 (0.39) kept Peak 4055 (-0.04, 0.90, 24.48 ppm): 1 chemical-shift based assignment, quality = 0.473, support = 3.41, residual support = 11.5: * T QD1 LEU 74 - QG2 VAL 40 100.000% *100.0000% (0.47 10.00 3.41 11.48) = 100.000% kept Peak 4056 (0.90, 5.36, 60.06 ppm): 10 chemical-shift based assignments, quality = 0.747, support = 2.24, residual support = 10.2: QG1 VAL 80 - HA THR 79 10.000% * 31.1809% (0.69 3.03 16.15) = 31.181% kept * QG2 VAL 40 - HA THR 79 10.000% * 30.8389% (0.90 2.31 8.54) = 30.839% kept QG2 VAL 80 - HA THR 79 10.000% * 15.8255% (0.37 2.86 16.15) = 15.825% kept HG3 LYS+ 117 - HA THR 79 10.000% * 10.5215% (0.88 0.81 0.02) = 10.522% kept QG1 VAL 47 - HA THR 79 10.000% * 5.3431% (0.91 0.40 0.02) = 5.343% kept QD1 LEU 67 - HA THR 79 10.000% * 4.9916% (0.90 0.37 0.02) = 4.992% kept QG2 VAL 87 - HA THR 79 10.000% * 1.0375% (0.90 0.08 0.02) = 1.038% kept QG2 VAL 125 - HA THR 79 10.000% * 0.1107% (0.37 0.02 0.02) = 0.111% HG3 LYS+ 110 - HA THR 79 10.000% * 0.0831% (0.28 0.02 0.02) = 0.083% HG12 ILE 68 - HA THR 79 10.000% * 0.0672% (0.23 0.02 0.02) = 0.067% Peak 4057 (4.95, 2.05, 35.94 ppm): 8 chemical-shift based assignments, quality = 0.172, support = 5.05, residual support = 114.6: * O HA ILE 101 - HB ILE 101 12.500% * 89.1599% (0.16 10.0 5.62 128.54) = 89.160% kept HA ALA 33 - HB3 PRO 31 12.500% * 4.0807% (0.27 1.0 0.54 0.02) = 4.081% kept HA ILE 101 - HB3 PRO 31 12.500% * 3.4652% (0.34 1.0 0.37 0.35) = 3.465% kept HA HIS+ 98 - HB ILE 101 12.500% * 1.6296% (0.18 1.0 0.33 0.11) = 1.630% kept HA MET 97 - HB3 PRO 31 12.500% * 1.3457% (0.15 1.0 0.32 0.02) = 1.346% kept HA HIS+ 98 - HB3 PRO 31 12.500% * 0.2058% (0.37 1.0 0.02 0.02) = 0.206% HA ALA 33 - HB ILE 101 12.500% * 0.0722% (0.13 1.0 0.02 0.23) = 0.072% HA MET 97 - HB ILE 101 12.500% * 0.0409% (0.07 1.0 0.02 0.02) = 0.041% Peak 4058 (2.02, 2.01, 33.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HB VAL 65 - HB VAL 65 Peak unassigned. Peak 4059 (4.48, 0.71, 17.82 ppm): 20 chemical-shift based assignments, quality = 0.668, support = 3.58, residual support = 18.4: * HA ILE 100 - QG2 ILE 101 5.000% * 47.2480% (0.66 4.59 19.24) = 47.248% kept HA GLN 102 - QG2 ILE 101 5.000% * 35.7210% (0.66 3.47 25.72) = 35.721% kept HA LYS+ 32 - QG2 ILE 101 5.000% * 14.4124% (0.82 1.12 1.04) = 14.412% kept HA GLU- 50 - QG2 ILE 101 5.000% * 1.3082% (0.23 0.37 0.02) = 1.308% kept HA MET 126 - QG2 ILE 101 5.000% * 0.2430% (0.78 0.02 0.02) = 0.243% HA SER 77 - QG2 ILE 101 5.000% * 0.1765% (0.56 0.02 0.02) = 0.176% HA CYS 123 - QG2 ILE 101 5.000% * 0.1765% (0.56 0.02 0.02) = 0.176% HA LYS+ 32 - QG2 ILE 68 5.000% * 0.0936% (0.30 0.02 0.02) = 0.094% HA MET 126 - QG2 ILE 68 5.000% * 0.0886% (0.28 0.02 0.02) = 0.089% HB THR 79 - QG2 ILE 101 5.000% * 0.0876% (0.28 0.02 0.02) = 0.088% HA GLN 102 - QG2 ILE 68 5.000% * 0.0750% (0.24 0.02 0.02) = 0.075% HA ILE 100 - QG2 ILE 68 5.000% * 0.0750% (0.24 0.02 0.93) = 0.075% HA CYS 123 - QG2 ILE 68 5.000% * 0.0643% (0.21 0.02 0.02) = 0.064% HA SER 77 - QG2 ILE 68 5.000% * 0.0643% (0.21 0.02 0.02) = 0.064% HA LYS+ 55 - QG2 ILE 101 5.000% * 0.0396% (0.13 0.02 0.02) = 0.040% HA MET 118 - QG2 ILE 101 5.000% * 0.0396% (0.13 0.02 0.02) = 0.040% HB THR 79 - QG2 ILE 68 5.000% * 0.0319% (0.10 0.02 0.02) = 0.032% HA GLU- 50 - QG2 ILE 68 5.000% * 0.0260% (0.08 0.02 0.02) = 0.026% HA LYS+ 55 - QG2 ILE 68 5.000% * 0.0144% (0.05 0.02 0.02) = 0.014% HA MET 118 - QG2 ILE 68 5.000% * 0.0144% (0.05 0.02 0.02) = 0.014% Peak 4060 (6.74, 1.01, 23.11 ppm): 2 chemical-shift based assignments, quality = 0.884, support = 1.13, residual support = 5.73: * T HZ3 TRP 51 - QG1 VAL 99 50.000% * 97.3805% (0.88 10.00 1.15 5.88) = 97.380% kept QE TYR 83 - QG1 VAL 99 50.000% * 2.6195% (0.96 1.00 0.28 0.02) = 2.620% kept Peak 4061 (7.21, 1.01, 23.11 ppm): 2 chemical-shift based assignments, quality = 0.852, support = 1.29, residual support = 5.88: HN TRP 51 - QG1 VAL 99 50.000% * 63.9179% (0.97 1.36 5.88) = 63.918% kept HH2 TRP 51 - QG1 VAL 99 50.000% * 36.0821% (0.64 1.18 5.88) = 36.082% kept Peak 4062 (0.84, 0.29, 23.82 ppm): 18 chemical-shift based assignments, quality = 0.806, support = 0.88, residual support = 8.79: * T QD1 ILE 29 - QD2 LEU 23 5.556% * 59.8601% (0.81 10.00 1.25 14.52) = 59.860% kept T QD1 ILE 29 - QG1 VAL 122 5.556% * 21.5797% (0.86 10.00 0.42 0.45) = 21.580% kept T QG1 VAL 13 - QD2 LEU 23 5.556% * 13.2877% (0.81 10.00 0.28 0.02) = 13.288% kept QG2 VAL 13 - QD2 LEU 23 5.556% * 1.7837% (0.89 1.00 0.34 0.02) = 1.784% kept T QG1 VAL 13 - QG1 VAL 122 5.556% * 1.0162% (0.86 10.00 0.02 0.02) = 1.016% kept QG2 VAL 13 - QG1 VAL 122 5.556% * 0.6907% (0.94 1.00 0.12 0.02) = 0.691% QD2 LEU 90 - QD2 LEU 23 5.556% * 0.6164% (0.26 1.00 0.40 0.15) = 0.616% QD2 LEU 17 - QG1 VAL 122 5.556% * 0.3707% (0.37 1.00 0.17 0.02) = 0.371% QG2 ILE 100 - QD2 LEU 23 5.556% * 0.2737% (0.21 1.00 0.22 3.44) = 0.274% HG2 LYS+ 117 - QG1 VAL 122 5.556% * 0.1161% (0.98 1.00 0.02 0.02) = 0.116% HG2 LYS+ 117 - QD2 LEU 23 5.556% * 0.1098% (0.93 1.00 0.02 0.02) = 0.110% QG1 VAL 94 - QG1 VAL 122 5.556% * 0.0711% (0.60 1.00 0.02 0.02) = 0.071% QG1 VAL 94 - QD2 LEU 23 5.556% * 0.0672% (0.57 1.00 0.02 0.02) = 0.067% QD2 LEU 17 - QD2 LEU 23 5.556% * 0.0416% (0.35 1.00 0.02 0.13) = 0.042% QD2 LEU 90 - QG1 VAL 122 5.556% * 0.0326% (0.28 1.00 0.02 0.02) = 0.033% QD1 LEU 90 - QG1 VAL 122 5.556% * 0.0292% (0.25 1.00 0.02 0.02) = 0.029% QD1 LEU 90 - QD2 LEU 23 5.556% * 0.0276% (0.23 1.00 0.02 0.15) = 0.028% QG2 ILE 100 - QG1 VAL 122 5.556% * 0.0261% (0.22 1.00 0.02 0.02) = 0.026% Peak 4063 (4.20, 2.01, 33.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA VAL 65 - HB VAL 65 Peak unassigned. Peak 4064 (8.30, 5.98, 53.57 ppm): 6 chemical-shift based assignments, quality = 0.625, support = 3.59, residual support = 37.0: * O HN ASP- 28 - HA ASP- 28 16.667% * 97.7949% (0.62 10.0 3.67 37.87) = 97.795% kept HN ALA 91 - HA ASP- 28 16.667% * 1.9793% (0.90 1.0 0.28 0.02) = 1.979% kept HN VAL 99 - HA ASP- 28 16.667% * 0.0978% (0.62 1.0 0.02 0.44) = 0.098% HN ASN 76 - HA ASP- 28 16.667% * 0.0486% (0.31 1.0 0.02 0.02) = 0.049% HN ASN 89 - HA ASP- 28 16.667% * 0.0439% (0.28 1.0 0.02 0.02) = 0.044% HN GLY 114 - HA ASP- 28 16.667% * 0.0355% (0.23 1.0 0.02 0.02) = 0.036% Peak 4065 (8.33, 1.45, 27.27 ppm): 21 chemical-shift based assignments, quality = 0.726, support = 1.26, residual support = 2.12: HN GLY 114 - HG2 PRO 59 4.762% * 34.1910% (0.92 1.34 0.99) = 34.191% kept HN ASN 76 - HG2 PRO 59 4.762% * 24.0029% (0.88 0.99 0.46) = 24.003% kept HN GLU- 50 - HG2 PRO 59 4.762% * 22.8060% (0.75 1.11 0.83) = 22.806% kept HN ALA 91 - HG LEU 90 4.762% * 9.7621% (0.14 2.58 15.11) = 9.762% kept HN GLU- 50 - HG3 PRO 52 4.762% * 3.4749% (0.10 1.20 0.30) = 3.475% kept HN ASN 76 - HG3 PRO 52 4.762% * 2.2938% (0.12 0.67 0.02) = 2.294% kept HN VAL 99 - HG2 PRO 59 4.762% * 1.2733% (0.60 0.08 0.02) = 1.273% kept HN GLY 114 - HG LEU 90 4.762% * 0.4288% (0.78 0.02 0.02) = 0.429% HN ASN 76 - HG LEU 90 4.762% * 0.4092% (0.74 0.02 0.02) = 0.409% HN GLU- 50 - HG LEU 90 4.762% * 0.3464% (0.63 0.02 0.02) = 0.346% HN VAL 99 - HG LEU 90 4.762% * 0.2798% (0.51 0.02 0.02) = 0.280% HN GLU- 109 - HG2 PRO 59 4.762% * 0.1432% (0.26 0.02 0.02) = 0.143% HN GLU- 109 - HG LEU 90 4.762% * 0.1203% (0.22 0.02 0.02) = 0.120% HN ALA 103 - HG2 PRO 59 4.762% * 0.1147% (0.21 0.02 0.02) = 0.115% HN ALA 103 - HG LEU 90 4.762% * 0.0963% (0.17 0.02 0.02) = 0.096% HN ALA 91 - HG2 PRO 59 4.762% * 0.0902% (0.16 0.02 0.02) = 0.090% HN GLY 114 - HG3 PRO 52 4.762% * 0.0716% (0.13 0.02 0.02) = 0.072% HN VAL 99 - HG3 PRO 52 4.762% * 0.0467% (0.08 0.02 1.02) = 0.047% HN GLU- 109 - HG3 PRO 52 4.762% * 0.0201% (0.04 0.02 0.02) = 0.020% HN ALA 103 - HG3 PRO 52 4.762% * 0.0161% (0.03 0.02 0.02) = 0.016% HN ALA 91 - HG3 PRO 52 4.762% * 0.0127% (0.02 0.02 0.50) = 0.013% Peak 4068 (7.89, 1.56, 42.51 ppm): 8 chemical-shift based assignments, quality = 0.749, support = 3.42, residual support = 18.4: * O HN LEU 90 - HB3 LEU 90 12.500% * 94.4238% (0.78 10.0 3.55 19.40) = 94.424% kept HD22 ASN 89 - HB3 LEU 90 12.500% * 2.5909% (0.32 1.0 1.34 4.40) = 2.591% kept HN LEU 90 - HB ILE 19 12.500% * 1.9715% (0.21 1.0 1.57 0.29) = 1.971% kept HN THR 38 - HB3 LEU 90 12.500% * 0.8579% (0.23 1.0 0.61 0.02) = 0.858% HN LYS+ 44 - HB3 LEU 90 12.500% * 0.1091% (0.90 1.0 0.02 0.02) = 0.109% HN LYS+ 44 - HB ILE 19 12.500% * 0.0290% (0.24 1.0 0.02 0.02) = 0.029% HD22 ASN 89 - HB ILE 19 12.500% * 0.0103% (0.08 1.0 0.02 0.02) = 0.010% HN THR 38 - HB ILE 19 12.500% * 0.0075% (0.06 1.0 0.02 0.02) = 0.007% Peak 4069 (1.61, 1.62, 42.50 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4070 (7.84, 1.38, 19.93 ppm): 9 chemical-shift based assignments, quality = 0.191, support = 0.868, residual support = 1.92: HN THR 38 - QB ALA 37 11.111% * 35.7873% (0.03 2.16 5.32) = 35.787% kept HN LYS+ 63 - QB ALA 93 11.111% * 24.8927% (0.51 0.08 0.02) = 24.893% kept HN LYS+ 63 - QB ALA 37 11.111% * 24.0574% (0.15 0.26 0.02) = 24.057% kept HN LYS+ 55 - QB ALA 93 11.111% * 10.3681% (0.13 0.13 0.02) = 10.368% kept HN LYS+ 63 - QB ALA 11 11.111% * 2.3075% (0.19 0.02 0.02) = 2.307% kept HN THR 38 - QB ALA 93 11.111% * 1.1055% (0.09 0.02 0.02) = 1.105% kept HN LYS+ 55 - QB ALA 11 11.111% * 0.5922% (0.05 0.02 0.02) = 0.592% HN LYS+ 55 - QB ALA 37 11.111% * 0.4787% (0.04 0.02 0.02) = 0.479% HN THR 38 - QB ALA 11 11.111% * 0.4104% (0.03 0.02 0.02) = 0.410% Reference assignment not found: HN ALA 93 - QB ALA 93 Not enough quality. Peak unassigned. Peak 4071 (8.22, 1.38, 19.93 ppm): 30 chemical-shift based assignments, quality = 0.297, support = 2.26, residual support = 7.3: O HN ALA 11 - QB ALA 11 3.333% * 52.8357% (0.16 10.0 1.61 5.61) = 52.836% kept * HN VAL 94 - QB ALA 93 3.333% * 38.2842% (0.52 1.0 3.50 11.08) = 38.284% kept HN GLU- 12 - QB ALA 11 3.333% * 4.1828% (0.11 1.0 1.76 2.35) = 4.183% kept HN VAL 105 - QB ALA 93 3.333% * 1.6846% (0.51 1.0 0.16 0.02) = 1.685% kept HN ALA 11 - QB ALA 93 3.333% * 0.9722% (0.42 1.0 0.11 0.02) = 0.972% HN SER 49 - QB ALA 93 3.333% * 0.2188% (0.52 1.0 0.02 0.28) = 0.219% HN GLY 58 - QB ALA 93 3.333% * 0.1864% (0.45 1.0 0.02 0.02) = 0.186% HN LYS+ 81 - QB ALA 93 3.333% * 0.1578% (0.38 1.0 0.02 0.11) = 0.158% HN GLU- 45 - QB ALA 93 3.333% * 0.1578% (0.38 1.0 0.02 0.02) = 0.158% HN LEU 67 - QB ALA 93 3.333% * 0.1578% (0.38 1.0 0.02 0.02) = 0.158% HN GLU- 12 - QB ALA 93 3.333% * 0.1283% (0.31 1.0 0.02 0.13) = 0.128% HN VAL 94 - QB ALA 11 3.333% * 0.0812% (0.19 1.0 0.02 0.02) = 0.081% HN SER 49 - QB ALA 11 3.333% * 0.0812% (0.19 1.0 0.02 0.24) = 0.081% HN VAL 105 - QB ALA 11 3.333% * 0.0786% (0.19 1.0 0.02 0.02) = 0.079% HN GLY 58 - QB ALA 11 3.333% * 0.0692% (0.17 1.0 0.02 0.02) = 0.069% HN SER 49 - QB ALA 37 3.333% * 0.0657% (0.16 1.0 0.02 0.02) = 0.066% HN VAL 94 - QB ALA 37 3.333% * 0.0657% (0.16 1.0 0.02 0.02) = 0.066% HN VAL 105 - QB ALA 37 3.333% * 0.0635% (0.15 1.0 0.02 0.02) = 0.064% HN LYS+ 81 - QB ALA 11 3.333% * 0.0586% (0.14 1.0 0.02 0.02) = 0.059% HN LEU 67 - QB ALA 11 3.333% * 0.0586% (0.14 1.0 0.02 0.02) = 0.059% HN GLU- 45 - QB ALA 11 3.333% * 0.0586% (0.14 1.0 0.02 0.88) = 0.059% HN GLY 58 - QB ALA 37 3.333% * 0.0560% (0.13 1.0 0.02 0.02) = 0.056% HN ALA 11 - QB ALA 37 3.333% * 0.0532% (0.13 1.0 0.02 0.02) = 0.053% HN GLU- 45 - QB ALA 37 3.333% * 0.0474% (0.11 1.0 0.02 0.02) = 0.047% HN LYS+ 81 - QB ALA 37 3.333% * 0.0474% (0.11 1.0 0.02 0.02) = 0.047% HN LEU 67 - QB ALA 37 3.333% * 0.0474% (0.11 1.0 0.02 0.02) = 0.047% HN GLU- 12 - QB ALA 37 3.333% * 0.0385% (0.09 1.0 0.02 0.02) = 0.039% HN THR 106 - QB ALA 93 3.333% * 0.0376% (0.09 1.0 0.02 0.02) = 0.038% HN THR 106 - QB ALA 11 3.333% * 0.0140% (0.03 1.0 0.02 0.02) = 0.014% HN THR 106 - QB ALA 37 3.333% * 0.0113% (0.03 1.0 0.02 0.02) = 0.011% Peak 4072 (1.39, 1.38, 19.93 ppm): 3 diagonal assignments: * QB ALA 93 - QB ALA 93 (0.35) kept QB ALA 11 - QB ALA 11 (0.07) kept QB ALA 37 - QB ALA 37 (0.07) kept Peak 4073 (8.22, 4.31, 52.81 ppm): 10 chemical-shift based assignments, quality = 0.792, support = 2.9, residual support = 10.9: * O HN VAL 94 - HA ALA 93 10.000% * 98.6890% (0.80 10.0 2.94 11.08) = 98.689% kept HN VAL 105 - HA ALA 93 10.000% * 0.7599% (0.78 1.0 0.16 0.02) = 0.760% HN SER 49 - HA ALA 93 10.000% * 0.0987% (0.80 1.0 0.02 0.28) = 0.099% HN GLY 58 - HA ALA 93 10.000% * 0.0841% (0.68 1.0 0.02 0.02) = 0.084% HN ALA 11 - HA ALA 93 10.000% * 0.0799% (0.65 1.0 0.02 0.02) = 0.080% HN LYS+ 81 - HA ALA 93 10.000% * 0.0712% (0.58 1.0 0.02 0.11) = 0.071% HN GLU- 45 - HA ALA 93 10.000% * 0.0712% (0.58 1.0 0.02 0.02) = 0.071% HN LEU 67 - HA ALA 93 10.000% * 0.0712% (0.58 1.0 0.02 0.02) = 0.071% HN GLU- 12 - HA ALA 93 10.000% * 0.0579% (0.47 1.0 0.02 0.13) = 0.058% HN THR 106 - HA ALA 93 10.000% * 0.0170% (0.14 1.0 0.02 0.02) = 0.017% Peak 4075 (1.78, 3.16, 43.82 ppm): 10 chemical-shift based assignments, quality = 0.766, support = 2.84, residual support = 54.2: O HB2 ARG+ 84 - HD3 ARG+ 84 10.000% * 34.8204% (0.78 10.0 1.00 4.01 76.79) = 34.820% kept * O HG2 ARG+ 84 - HD3 ARG+ 84 10.000% * 34.5890% (0.77 10.0 1.00 2.68 76.79) = 34.589% kept T HB3 GLU- 18 - HD3 ARG+ 84 10.000% * 29.6371% (0.77 1.0 10.00 1.73 3.02) = 29.637% kept HB2 LEU 17 - HD3 ARG+ 84 10.000% * 0.8147% (0.22 1.0 1.00 1.68 1.73) = 0.815% HG3 ARG+ 53 - HD3 ARG+ 84 10.000% * 0.0337% (0.75 1.0 1.00 0.02 0.02) = 0.034% HG3 LYS+ 63 - HD3 ARG+ 84 10.000% * 0.0303% (0.68 1.0 1.00 0.02 0.02) = 0.030% HG2 PRO 31 - HD3 ARG+ 84 10.000% * 0.0291% (0.65 1.0 1.00 0.02 0.02) = 0.029% HB3 LYS+ 108 - HD3 ARG+ 84 10.000% * 0.0156% (0.35 1.0 1.00 0.02 0.02) = 0.016% HB3 LYS+ 63 - HD3 ARG+ 84 10.000% * 0.0156% (0.35 1.0 1.00 0.02 0.02) = 0.016% HD3 PRO 59 - HD3 ARG+ 84 10.000% * 0.0143% (0.32 1.0 1.00 0.02 0.02) = 0.014% Peak 4076 (1.66, 3.16, 43.82 ppm): 9 chemical-shift based assignments, quality = 0.766, support = 3.72, residual support = 72.3: * O T HG3 ARG+ 84 - HD3 ARG+ 84 11.111% * 93.8021% (0.78 10.0 10.00 3.91 76.79) = 93.802% kept HB3 LYS+ 81 - HD3 ARG+ 84 11.111% * 3.7074% (0.47 1.0 1.00 1.30 7.16) = 3.707% kept HB3 LYS+ 66 - HD3 ARG+ 84 11.111% * 2.1534% (0.74 1.0 1.00 0.49 0.02) = 2.153% kept HB ILE 100 - HD3 ARG+ 84 11.111% * 0.0866% (0.72 1.0 1.00 0.02 0.02) = 0.087% HB3 MET 97 - HD3 ARG+ 84 11.111% * 0.0784% (0.65 1.0 1.00 0.02 0.02) = 0.078% HB3 MET 126 - HD3 ARG+ 84 11.111% * 0.0717% (0.60 1.0 1.00 0.02 0.02) = 0.072% HG2 ARG+ 22 - HD3 ARG+ 84 11.111% * 0.0607% (0.51 1.0 1.00 0.02 0.02) = 0.061% HD3 LYS+ 55 - HD3 ARG+ 84 11.111% * 0.0234% (0.19 1.0 1.00 0.02 0.02) = 0.023% HG13 ILE 19 - HD3 ARG+ 84 11.111% * 0.0164% (0.14 1.0 1.00 0.02 0.02) = 0.016% Peak 4077 (4.28, 4.28, 56.51 ppm): 4 diagonal assignments: * HA ARG+ 84 - HA ARG+ 84 (0.44) kept HA ASN 119 - HA ASN 119 (0.13) kept HA ASN 76 - HA ASN 76 (0.10) kept HA GLU- 107 - HA GLU- 107 (0.05) kept Peak 4078 (7.33, 4.28, 56.51 ppm): 36 chemical-shift based assignments, quality = 0.351, support = 4.06, residual support = 57.9: * O HN ARG+ 84 - HA ARG+ 84 2.778% * 73.8690% (0.33 10.0 4.95 76.79) = 73.869% kept QD PHE 34 - HA ARG+ 84 2.778% * 9.3187% (0.38 1.0 2.19 5.06) = 9.319% kept HZ PHE 34 - HA ARG+ 84 2.778% * 7.8803% (0.45 1.0 1.58 5.06) = 7.880% kept QE PHE 34 - HA ARG+ 84 2.778% * 5.9897% (0.45 1.0 1.20 5.06) = 5.990% kept HZ2 TRP 51 - HA ARG+ 84 2.778% * 1.2552% (0.45 1.0 0.25 1.28) = 1.255% kept HN VAL 47 - HA ARG+ 84 2.778% * 0.3511% (0.35 1.0 0.09 0.02) = 0.351% HZ2 TRP 51 - HA ASN 119 2.778% * 0.1036% (0.47 1.0 0.02 0.02) = 0.104% QE PHE 34 - HA ASN 119 2.778% * 0.1036% (0.47 1.0 0.02 0.02) = 0.104% HZ PHE 34 - HA ASN 119 2.778% * 0.1036% (0.47 1.0 0.02 0.02) = 0.104% QE PHE 34 - HA ASN 76 2.778% * 0.0904% (0.41 1.0 0.02 0.02) = 0.090% HZ PHE 34 - HA ASN 76 2.778% * 0.0904% (0.41 1.0 0.02 0.02) = 0.090% HZ2 TRP 51 - HA ASN 76 2.778% * 0.0904% (0.41 1.0 0.02 0.02) = 0.090% QD PHE 34 - HA ASN 119 2.778% * 0.0883% (0.40 1.0 0.02 0.02) = 0.088% HN VAL 47 - HA ASN 119 2.778% * 0.0808% (0.37 1.0 0.02 0.21) = 0.081% QD PHE 34 - HA ASN 76 2.778% * 0.0770% (0.35 1.0 0.02 0.02) = 0.077% HN ARG+ 84 - HA ASN 119 2.778% * 0.0768% (0.35 1.0 0.02 0.02) = 0.077% HN VAL 47 - HA ASN 76 2.778% * 0.0705% (0.32 1.0 0.02 0.02) = 0.070% HN ARG+ 84 - HA ASN 76 2.778% * 0.0670% (0.30 1.0 0.02 0.02) = 0.067% HZ2 TRP 51 - HA GLU- 107 2.778% * 0.0371% (0.17 1.0 0.02 0.02) = 0.037% HZ PHE 34 - HA GLU- 107 2.778% * 0.0371% (0.17 1.0 0.02 0.02) = 0.037% QE PHE 34 - HA GLU- 107 2.778% * 0.0371% (0.17 1.0 0.02 0.02) = 0.037% QD PHE 34 - HA GLU- 107 2.778% * 0.0316% (0.14 1.0 0.02 0.02) = 0.032% HN VAL 47 - HA GLU- 107 2.778% * 0.0289% (0.13 1.0 0.02 0.02) = 0.029% HN ARG+ 84 - HA GLU- 107 2.778% * 0.0275% (0.12 1.0 0.02 0.02) = 0.027% HZ2 TRP 51 - HA GLU- 10 2.778% * 0.0090% (0.04 1.0 0.02 0.02) = 0.009% QE PHE 34 - HA GLU- 10 2.778% * 0.0090% (0.04 1.0 0.02 0.02) = 0.009% HZ PHE 34 - HA GLU- 10 2.778% * 0.0090% (0.04 1.0 0.02 0.02) = 0.009% HZ PHE 34 - HA LYS+ 108 2.778% * 0.0086% (0.04 1.0 0.02 0.02) = 0.009% HZ2 TRP 51 - HA LYS+ 108 2.778% * 0.0086% (0.04 1.0 0.02 0.02) = 0.009% QE PHE 34 - HA LYS+ 108 2.778% * 0.0086% (0.04 1.0 0.02 0.02) = 0.009% QD PHE 34 - HA GLU- 10 2.778% * 0.0076% (0.03 1.0 0.02 0.02) = 0.008% QD PHE 34 - HA LYS+ 108 2.778% * 0.0073% (0.03 1.0 0.02 0.02) = 0.007% HN VAL 47 - HA GLU- 10 2.778% * 0.0070% (0.03 1.0 0.02 0.02) = 0.007% HN VAL 47 - HA LYS+ 108 2.778% * 0.0067% (0.03 1.0 0.02 0.02) = 0.007% HN ARG+ 84 - HA GLU- 10 2.778% * 0.0066% (0.03 1.0 0.02 0.02) = 0.007% HN ARG+ 84 - HA LYS+ 108 2.778% * 0.0064% (0.03 1.0 0.02 0.02) = 0.006% Peak 4079 (7.66, 3.16, 43.82 ppm): 2 chemical-shift based assignments, quality = 0.773, support = 3.7, residual support = 15.7: * HN TYR 83 - HD3 ARG+ 84 50.000% * 99.8488% (0.77 3.70 15.69) = 99.849% kept HD21 ASN 89 - HD3 ARG+ 84 50.000% * 0.1512% (0.22 0.02 0.02) = 0.151% Peak 4080 (4.80, 3.16, 43.82 ppm): 4 chemical-shift based assignments, quality = 0.496, support = 1.31, residual support = 2.13: HA GLU- 18 - HD3 ARG+ 84 25.000% * 67.2027% (0.51 1.59 3.02) = 67.203% kept HB THR 39 - HD3 ARG+ 84 25.000% * 30.9762% (0.47 0.78 0.33) = 30.976% kept HA LEU 23 - HD3 ARG+ 84 25.000% * 1.2830% (0.77 0.02 0.02) = 1.283% kept HA ASN 15 - HD3 ARG+ 84 25.000% * 0.5381% (0.32 0.02 0.02) = 0.538% Peak 4081 (8.25, 1.29, 24.93 ppm): 16 chemical-shift based assignments, quality = 0.441, support = 2.93, residual support = 26.6: * HN LYS+ 81 - HG2 LYS+ 81 6.250% * 50.4870% (0.42 4.99 51.89) = 50.487% kept HN THR 106 - HG2 LYS+ 81 6.250% * 17.7721% (0.53 1.39 2.05) = 17.772% kept HN GLU- 12 - HG2 LYS+ 81 6.250% * 8.6304% (0.48 0.75 0.24) = 8.630% kept HN LYS+ 81 - HG2 LYS+ 32 6.250% * 6.4488% (0.46 0.58 0.02) = 6.449% kept HN LEU 67 - HG2 LYS+ 32 6.250% * 4.8354% (0.46 0.44 0.02) = 4.835% kept HN ASP- 115 - HG2 LYS+ 81 6.250% * 4.3614% (0.51 0.36 0.02) = 4.361% kept HN GLY 58 - HG2 LYS+ 32 6.250% * 3.5168% (0.39 0.37 0.02) = 3.517% kept HN SER 49 - HG2 LYS+ 32 6.250% * 2.3082% (0.29 0.33 0.02) = 2.308% kept HN THR 106 - HG2 LYS+ 32 6.250% * 0.2803% (0.58 0.02 0.02) = 0.280% HN ASN 89 - HG2 LYS+ 81 6.250% * 0.2796% (0.11 0.11 0.02) = 0.280% HN ASP- 115 - HG2 LYS+ 32 6.250% * 0.2681% (0.55 0.02 0.02) = 0.268% HN GLU- 12 - HG2 LYS+ 32 6.250% * 0.2519% (0.52 0.02 0.02) = 0.252% HN LEU 67 - HG2 LYS+ 81 6.250% * 0.2024% (0.42 0.02 0.02) = 0.202% HN GLY 58 - HG2 LYS+ 81 6.250% * 0.1713% (0.35 0.02 0.02) = 0.171% HN SER 49 - HG2 LYS+ 81 6.250% * 0.1289% (0.27 0.02 0.02) = 0.129% HN ASN 89 - HG2 LYS+ 32 6.250% * 0.0575% (0.12 0.02 0.02) = 0.057% Peak 4082 (1.28, 3.69, 59.61 ppm): 6 chemical-shift based assignments, quality = 0.9, support = 3.58, residual support = 43.9: * O T HG2 LYS+ 81 - HA LYS+ 81 16.667% * 84.5890% (0.92 10.0 10.00 4.17 51.89) = 84.589% kept T HG2 LYS+ 32 - HA LYS+ 81 16.667% * 11.9180% (0.84 1.0 10.00 0.31 0.02) = 11.918% kept HB3 LEU 74 - HA LYS+ 81 16.667% * 2.7185% (0.93 1.0 1.00 0.64 0.32) = 2.719% kept HB2 LYS+ 55 - HA LYS+ 81 16.667% * 0.6689% (0.49 1.0 1.00 0.29 0.02) = 0.669% HG13 ILE 101 - HA LYS+ 81 16.667% * 0.0816% (0.88 1.0 1.00 0.02 0.02) = 0.082% QB ALA 103 - HA LYS+ 81 16.667% * 0.0240% (0.26 1.0 1.00 0.02 0.02) = 0.024% Peak 4083 (1.35, 1.34, 25.00 ppm): 1 diagonal assignment: * HG3 LYS+ 81 - HG3 LYS+ 81 (0.22) kept Peak 4084 (1.29, 1.29, 24.93 ppm): 2 diagonal assignments: * HG2 LYS+ 81 - HG2 LYS+ 81 (0.48) kept HG2 LYS+ 32 - HG2 LYS+ 32 (0.29) kept Peak 4085 (4.80, 0.91, 20.50 ppm): 4 chemical-shift based assignments, quality = 0.113, support = 0.02, residual support = 0.02: HA LEU 23 - QG2 VAL 125 25.000% * 37.0621% (0.15 0.02 0.02) = 37.062% kept HA GLU- 18 - QG2 VAL 125 25.000% * 24.4600% (0.10 0.02 0.02) = 24.460% kept HB THR 39 - QG2 VAL 125 25.000% * 22.9334% (0.09 0.02 0.02) = 22.933% kept HA ASN 15 - QG2 VAL 125 25.000% * 15.5445% (0.06 0.02 0.02) = 15.544% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 4086 (4.18, 0.91, 20.50 ppm): 6 chemical-shift based assignments, quality = 0.143, support = 0.187, residual support = 0.02: HB3 SER 49 - QG2 VAL 125 16.667% * 36.9162% (0.14 0.23 0.02) = 36.916% kept HA VAL 73 - QG2 VAL 125 16.667% * 30.3578% (0.15 0.18 0.02) = 30.358% kept HA VAL 65 - QG2 VAL 125 16.667% * 26.5617% (0.14 0.17 0.02) = 26.562% kept HA VAL 105 - QG2 VAL 125 16.667% * 2.4959% (0.11 0.02 0.02) = 2.496% kept HB THR 106 - QG2 VAL 125 16.667% * 2.4959% (0.11 0.02 0.02) = 2.496% kept HA VAL 87 - QG2 VAL 125 16.667% * 1.1725% (0.05 0.02 0.02) = 1.172% kept Reference assignment not found: HA VAL 87 - QG2 VAL 87 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 4087 (2.11, 0.91, 20.50 ppm): 13 chemical-shift based assignments, quality = 0.0998, support = 0.632, residual support = 0.324: O HB VAL 125 - QG2 VAL 125 7.692% * 41.4245% (0.04 10.0 1.00 1.00 0.72) = 41.424% kept T HB3 GLU- 75 - QG2 VAL 125 7.692% * 40.1947% (0.15 1.0 10.00 0.26 0.02) = 40.195% kept HB3 LEU 43 - QG2 VAL 125 7.692% * 13.3968% (0.15 1.0 1.00 0.85 0.14) = 13.397% kept T HB2 GLU- 56 - QG2 VAL 125 7.692% * 3.2932% (0.15 1.0 10.00 0.02 0.02) = 3.293% kept HB VAL 87 - QG2 VAL 125 7.692% * 0.3315% (0.16 1.0 1.00 0.02 0.02) = 0.332% HG2 PRO 112 - QG2 VAL 125 7.692% * 0.2883% (0.14 1.0 1.00 0.02 0.02) = 0.288% HB VAL 105 - QG2 VAL 125 7.692% * 0.2882% (0.14 1.0 1.00 0.02 0.02) = 0.288% HG2 GLU- 45 - QG2 VAL 125 7.692% * 0.2282% (0.11 1.0 1.00 0.02 0.02) = 0.228% HB VAL 65 - QG2 VAL 125 7.692% * 0.1881% (0.09 1.0 1.00 0.02 0.02) = 0.188% HB2 MET 118 - QG2 VAL 125 7.692% * 0.1247% (0.06 1.0 1.00 0.02 0.02) = 0.125% HB2 ASP- 28 - QG2 VAL 125 7.692% * 0.1247% (0.06 1.0 1.00 0.02 0.02) = 0.125% HB2 LYS+ 110 - QG2 VAL 125 7.692% * 0.0658% (0.03 1.0 1.00 0.02 0.02) = 0.066% HD3 LYS+ 110 - QG2 VAL 125 7.692% * 0.0513% (0.02 1.0 1.00 0.02 0.02) = 0.051% Reference assignment not found: HB VAL 87 - QG2 VAL 87 Not enough quality. Peak unassigned. Peak 4088 (4.18, 4.16, 62.61 ppm): 5 diagonal assignments: HA VAL 105 - HA VAL 105 (0.70) kept HB3 SER 49 - HB3 SER 49 (0.51) kept HA VAL 65 - HA VAL 65 (0.47) kept HA VAL 73 - HA VAL 73 (0.23) kept * HA VAL 87 - HA VAL 87 (0.11) kept Peak 4089 (2.11, 4.16, 62.61 ppm): 78 chemical-shift based assignments, quality = 0.474, support = 1.94, residual support = 11.4: O HB VAL 105 - HA VAL 105 1.282% * 32.1765% (0.84 10.0 1.00 1.50 5.92) = 32.176% kept T HG2 GLU- 45 - HB3 SER 49 1.282% * 19.2710% (0.38 1.0 10.00 2.46 4.72) = 19.271% kept * O T HB VAL 87 - HA VAL 87 1.282% * 16.9994% (0.33 10.0 10.00 2.21 20.87) = 16.999% kept O HB VAL 65 - HA VAL 65 1.282% * 14.7216% (0.29 10.0 1.00 3.19 29.62) = 14.722% kept O HB2 LYS+ 110 - HA LYS+ 110 1.282% * 4.3018% (0.08 10.0 1.00 2.25 15.90) = 4.302% kept T HB3 GLU- 75 - HA VAL 73 1.282% * 4.2601% (0.22 1.0 10.00 0.75 0.02) = 4.260% kept T HB3 GLU- 75 - HB3 SER 49 1.282% * 3.4584% (0.52 1.0 10.00 0.26 0.02) = 3.458% kept T HB3 GLU- 75 - HA VAL 65 1.282% * 0.9520% (0.48 1.0 10.00 0.08 0.02) = 0.952% T HB VAL 87 - HA VAL 105 1.282% * 0.4935% (0.97 1.0 10.00 0.02 0.02) = 0.493% T HB3 GLU- 75 - HA VAL 105 1.282% * 0.4656% (0.91 1.0 10.00 0.02 0.02) = 0.466% T HB VAL 87 - HB3 SER 49 1.282% * 0.2799% (0.55 1.0 10.00 0.02 0.02) = 0.280% T HB2 GLU- 56 - HB3 SER 49 1.282% * 0.2781% (0.55 1.0 10.00 0.02 0.02) = 0.278% T HB VAL 87 - HA VAL 65 1.282% * 0.2595% (0.51 1.0 10.00 0.02 0.02) = 0.259% T HB VAL 87 - HA LYS+ 110 1.282% * 0.2169% (0.43 1.0 10.00 0.02 0.02) = 0.217% T HB3 GLU- 75 - HA LYS+ 110 1.282% * 0.2046% (0.40 1.0 10.00 0.02 0.02) = 0.205% T HB2 MET 118 - HA VAL 105 1.282% * 0.1856% (0.36 1.0 10.00 0.02 0.02) = 0.186% T HB3 GLU- 75 - HA VAL 87 1.282% * 0.1604% (0.31 1.0 10.00 0.02 0.02) = 0.160% T HB VAL 87 - HA VAL 73 1.282% * 0.1199% (0.24 1.0 10.00 0.02 0.02) = 0.120% T HB2 MET 118 - HB3 SER 49 1.282% * 0.1053% (0.21 1.0 10.00 0.02 0.02) = 0.105% T HB2 MET 118 - HA VAL 65 1.282% * 0.0976% (0.19 1.0 10.00 0.02 0.02) = 0.098% T HB2 MET 118 - HA LYS+ 110 1.282% * 0.0816% (0.16 1.0 10.00 0.02 0.02) = 0.082% T HB2 MET 118 - HA VAL 87 1.282% * 0.0639% (0.13 1.0 10.00 0.02 0.02) = 0.064% HB2 GLU- 56 - HA VAL 105 1.282% * 0.0490% (0.96 1.0 1.00 0.02 0.02) = 0.049% HB3 LEU 43 - HA VAL 105 1.282% * 0.0468% (0.92 1.0 1.00 0.02 0.02) = 0.047% T HB2 MET 118 - HA VAL 73 1.282% * 0.0451% (0.09 1.0 10.00 0.02 0.02) = 0.045% HG2 PRO 112 - HA VAL 105 1.282% * 0.0429% (0.84 1.0 1.00 0.02 0.02) = 0.043% HG2 GLU- 45 - HA VAL 105 1.282% * 0.0340% (0.67 1.0 1.00 0.02 0.32) = 0.034% HB VAL 65 - HA VAL 105 1.282% * 0.0280% (0.55 1.0 1.00 0.02 0.02) = 0.028% HB3 LEU 43 - HB3 SER 49 1.282% * 0.0265% (0.52 1.0 1.00 0.02 0.02) = 0.027% HB2 GLU- 56 - HA VAL 65 1.282% * 0.0258% (0.51 1.0 1.00 0.02 0.02) = 0.026% HB3 LEU 43 - HA VAL 65 1.282% * 0.0246% (0.48 1.0 1.00 0.02 0.02) = 0.025% HG2 PRO 112 - HB3 SER 49 1.282% * 0.0243% (0.48 1.0 1.00 0.02 0.02) = 0.024% HB VAL 105 - HB3 SER 49 1.282% * 0.0243% (0.48 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 112 - HA VAL 65 1.282% * 0.0226% (0.44 1.0 1.00 0.02 0.02) = 0.023% HB VAL 105 - HA VAL 65 1.282% * 0.0226% (0.44 1.0 1.00 0.02 0.02) = 0.023% HB2 GLU- 56 - HA LYS+ 110 1.282% * 0.0215% (0.42 1.0 1.00 0.02 0.02) = 0.022% HB3 LEU 43 - HA LYS+ 110 1.282% * 0.0206% (0.40 1.0 1.00 0.02 0.11) = 0.021% HG2 PRO 112 - HA LYS+ 110 1.282% * 0.0189% (0.37 1.0 1.00 0.02 0.02) = 0.019% HB VAL 105 - HA LYS+ 110 1.282% * 0.0189% (0.37 1.0 1.00 0.02 0.02) = 0.019% HB2 ASP- 28 - HA VAL 105 1.282% * 0.0186% (0.36 1.0 1.00 0.02 0.02) = 0.019% HG2 GLU- 45 - HA VAL 65 1.282% * 0.0179% (0.35 1.0 1.00 0.02 0.02) = 0.018% HB2 GLU- 56 - HA VAL 87 1.282% * 0.0169% (0.33 1.0 1.00 0.02 0.02) = 0.017% HB3 LEU 43 - HA VAL 87 1.282% * 0.0161% (0.32 1.0 1.00 0.02 0.02) = 0.016% HB VAL 65 - HB3 SER 49 1.282% * 0.0159% (0.31 1.0 1.00 0.02 0.10) = 0.016% HG2 GLU- 45 - HA LYS+ 110 1.282% * 0.0149% (0.29 1.0 1.00 0.02 0.11) = 0.015% HG2 PRO 112 - HA VAL 87 1.282% * 0.0148% (0.29 1.0 1.00 0.02 0.02) = 0.015% HB VAL 105 - HA VAL 87 1.282% * 0.0148% (0.29 1.0 1.00 0.02 0.02) = 0.015% HB VAL 125 - HA VAL 105 1.282% * 0.0123% (0.24 1.0 1.00 0.02 0.02) = 0.012% HB VAL 65 - HA LYS+ 110 1.282% * 0.0123% (0.24 1.0 1.00 0.02 0.02) = 0.012% HB2 GLU- 56 - HA VAL 73 1.282% * 0.0119% (0.23 1.0 1.00 0.02 0.02) = 0.012% HG2 GLU- 45 - HA VAL 87 1.282% * 0.0117% (0.23 1.0 1.00 0.02 1.57) = 0.012% HB3 LEU 43 - HA VAL 73 1.282% * 0.0114% (0.22 1.0 1.00 0.02 0.02) = 0.011% HB2 ASP- 28 - HB3 SER 49 1.282% * 0.0105% (0.21 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HA VAL 73 1.282% * 0.0104% (0.20 1.0 1.00 0.02 0.41) = 0.010% HB VAL 105 - HA VAL 73 1.282% * 0.0104% (0.20 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 110 - HA VAL 105 1.282% * 0.0098% (0.19 1.0 1.00 0.02 0.02) = 0.010% HB2 ASP- 28 - HA VAL 65 1.282% * 0.0098% (0.19 1.0 1.00 0.02 0.02) = 0.010% HB VAL 65 - HA VAL 87 1.282% * 0.0096% (0.19 1.0 1.00 0.02 0.02) = 0.010% HG2 GLU- 45 - HA VAL 73 1.282% * 0.0083% (0.16 1.0 1.00 0.02 1.63) = 0.008% HB2 ASP- 28 - HA LYS+ 110 1.282% * 0.0082% (0.16 1.0 1.00 0.02 0.02) = 0.008% HD3 LYS+ 110 - HA VAL 105 1.282% * 0.0076% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB VAL 125 - HB3 SER 49 1.282% * 0.0070% (0.14 1.0 1.00 0.02 0.02) = 0.007% HB VAL 65 - HA VAL 73 1.282% * 0.0068% (0.13 1.0 1.00 0.02 0.02) = 0.007% HB VAL 125 - HA VAL 65 1.282% * 0.0065% (0.13 1.0 1.00 0.02 0.02) = 0.006% HB2 ASP- 28 - HA VAL 87 1.282% * 0.0064% (0.13 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 110 - HB3 SER 49 1.282% * 0.0056% (0.11 1.0 1.00 0.02 0.02) = 0.006% HB VAL 125 - HA LYS+ 110 1.282% * 0.0054% (0.11 1.0 1.00 0.02 0.02) = 0.005% HB2 LYS+ 110 - HA VAL 65 1.282% * 0.0051% (0.10 1.0 1.00 0.02 0.02) = 0.005% HB2 ASP- 28 - HA VAL 73 1.282% * 0.0045% (0.09 1.0 1.00 0.02 0.02) = 0.005% HD3 LYS+ 110 - HB3 SER 49 1.282% * 0.0043% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB VAL 125 - HA VAL 87 1.282% * 0.0042% (0.08 1.0 1.00 0.02 0.02) = 0.004% HD3 LYS+ 110 - HA VAL 65 1.282% * 0.0040% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB2 LYS+ 110 - HA VAL 87 1.282% * 0.0034% (0.07 1.0 1.00 0.02 0.02) = 0.003% HD3 LYS+ 110 - HA LYS+ 110 1.282% * 0.0034% (0.07 1.0 1.00 0.02 15.90) = 0.003% HB VAL 125 - HA VAL 73 1.282% * 0.0030% (0.06 1.0 1.00 0.02 0.02) = 0.003% HD3 LYS+ 110 - HA VAL 87 1.282% * 0.0026% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB2 LYS+ 110 - HA VAL 73 1.282% * 0.0024% (0.05 1.0 1.00 0.02 0.02) = 0.002% HD3 LYS+ 110 - HA VAL 73 1.282% * 0.0019% (0.04 1.0 1.00 0.02 0.02) = 0.002% Peak 4090 (2.14, 2.13, 32.58 ppm): 2 diagonal assignments: HB3 GLU- 75 - HB3 GLU- 75 (0.18) kept * HB VAL 87 - HB VAL 87 (0.07) kept Peak 4091 (0.93, 4.16, 62.61 ppm): 84 chemical-shift based assignments, quality = 0.679, support = 2.25, residual support = 8.03: O QG2 VAL 105 - HA VAL 105 1.190% * 34.4796% (0.87 10.0 2.47 5.92) = 34.480% kept O QG1 VAL 105 - HA VAL 105 1.190% * 32.1128% (0.81 10.0 2.42 5.92) = 32.113% kept O HG3 LYS+ 110 - HA LYS+ 110 1.190% * 16.1868% (0.42 10.0 1.93 15.90) = 16.187% kept O QG2 VAL 73 - HA VAL 73 1.190% * 3.5059% (0.09 10.0 2.95 24.82) = 3.506% kept * O QG2 VAL 87 - HA VAL 87 1.190% * 2.6209% (0.07 10.0 3.15 20.87) = 2.621% kept HG12 ILE 68 - HA VAL 105 1.190% * 2.4148% (0.97 1.0 1.26 0.60) = 2.415% kept HG12 ILE 68 - HB3 SER 49 1.190% * 1.9335% (0.55 1.0 1.77 1.95) = 1.934% kept HG12 ILE 68 - HA VAL 65 1.190% * 1.7741% (0.51 1.0 1.76 1.17) = 1.774% kept HG12 ILE 68 - HA VAL 73 1.190% * 1.0893% (0.24 1.0 2.33 1.95) = 1.089% kept QD1 LEU 67 - HA VAL 105 1.190% * 0.5313% (0.30 1.0 0.90 0.02) = 0.531% QG2 VAL 105 - HB3 SER 49 1.190% * 0.4508% (0.49 1.0 0.46 0.02) = 0.451% QG1 VAL 105 - HB3 SER 49 1.190% * 0.4032% (0.46 1.0 0.44 0.02) = 0.403% QD1 LEU 67 - HA VAL 65 1.190% * 0.3271% (0.16 1.0 1.05 0.72) = 0.327% HG3 LYS+ 117 - HA VAL 73 1.190% * 0.2882% (0.09 1.0 1.64 0.13) = 0.288% QD1 LEU 67 - HA VAL 73 1.190% * 0.2799% (0.07 1.0 1.94 0.02) = 0.280% QG2 ILE 29 - HB3 SER 49 1.190% * 0.1929% (0.19 1.0 0.52 0.02) = 0.193% QD1 LEU 67 - HB3 SER 49 1.190% * 0.1782% (0.17 1.0 0.53 0.02) = 0.178% QG1 VAL 47 - HB3 SER 49 1.190% * 0.1714% (0.14 1.0 0.63 0.02) = 0.171% HG3 LYS+ 117 - HB3 SER 49 1.190% * 0.1071% (0.21 1.0 0.26 0.55) = 0.107% QG2 VAL 62 - HA VAL 73 1.190% * 0.1002% (0.11 1.0 0.44 0.02) = 0.100% QG1 VAL 47 - HA VAL 73 1.190% * 0.0616% (0.06 1.0 0.53 0.02) = 0.062% QG2 VAL 73 - HB3 SER 49 1.190% * 0.0537% (0.21 1.0 0.13 0.02) = 0.054% QG2 VAL 80 - HA VAL 73 1.190% * 0.0388% (0.22 1.0 0.09 0.57) = 0.039% HG3 LYS+ 110 - HA VAL 105 1.190% * 0.0381% (0.96 1.0 0.02 0.02) = 0.038% QG2 VAL 80 - HA VAL 105 1.190% * 0.0364% (0.92 1.0 0.02 0.02) = 0.036% QD1 LEU 17 - HA VAL 105 1.190% * 0.0333% (0.84 1.0 0.02 0.02) = 0.033% QG2 VAL 105 - HA VAL 73 1.190% * 0.0316% (0.21 1.0 0.08 0.02) = 0.032% HG3 LYS+ 110 - HB3 SER 49 1.190% * 0.0216% (0.55 1.0 0.02 0.02) = 0.022% QG2 VAL 80 - HB3 SER 49 1.190% * 0.0206% (0.52 1.0 0.02 0.02) = 0.021% HG3 LYS+ 110 - HA VAL 65 1.190% * 0.0200% (0.51 1.0 0.02 0.02) = 0.020% QG2 VAL 80 - HA VAL 65 1.190% * 0.0191% (0.48 1.0 0.02 0.02) = 0.019% QD1 LEU 17 - HB3 SER 49 1.190% * 0.0189% (0.48 1.0 0.02 0.02) = 0.019% QG2 VAL 62 - HA VAL 105 1.190% * 0.0187% (0.47 1.0 0.02 0.02) = 0.019% QG2 VAL 105 - HA VAL 65 1.190% * 0.0181% (0.46 1.0 0.02 0.02) = 0.018% QD1 LEU 17 - HA VAL 65 1.190% * 0.0175% (0.44 1.0 0.02 0.02) = 0.018% HG12 ILE 68 - HA LYS+ 110 1.190% * 0.0169% (0.43 1.0 0.02 0.02) = 0.017% QG1 VAL 105 - HA VAL 65 1.190% * 0.0169% (0.43 1.0 0.02 0.02) = 0.017% QG2 VAL 80 - HA LYS+ 110 1.190% * 0.0160% (0.40 1.0 0.02 0.02) = 0.016% QG2 VAL 105 - HA LYS+ 110 1.190% * 0.0152% (0.38 1.0 0.02 0.02) = 0.015% QD1 LEU 17 - HA LYS+ 110 1.190% * 0.0147% (0.37 1.0 0.02 0.02) = 0.015% QG2 VAL 73 - HA VAL 105 1.190% * 0.0144% (0.36 1.0 0.02 0.02) = 0.014% HG3 LYS+ 117 - HA VAL 105 1.190% * 0.0144% (0.36 1.0 0.02 0.02) = 0.014% QG1 VAL 105 - HA LYS+ 110 1.190% * 0.0141% (0.36 1.0 0.02 0.02) = 0.014% HG12 ILE 68 - HA VAL 87 1.190% * 0.0132% (0.33 1.0 0.02 0.02) = 0.013% HG3 LYS+ 110 - HA VAL 87 1.190% * 0.0131% (0.33 1.0 0.02 0.02) = 0.013% QG2 ILE 29 - HA VAL 105 1.190% * 0.0131% (0.33 1.0 0.02 0.38) = 0.013% QG2 VAL 80 - HA VAL 87 1.190% * 0.0125% (0.32 1.0 0.02 0.02) = 0.013% QG2 VAL 105 - HA VAL 87 1.190% * 0.0119% (0.30 1.0 0.02 0.02) = 0.012% QD1 LEU 17 - HA VAL 87 1.190% * 0.0115% (0.29 1.0 0.02 0.02) = 0.011% QG1 VAL 105 - HA VAL 87 1.190% * 0.0111% (0.28 1.0 0.02 0.02) = 0.011% QG2 VAL 62 - HB3 SER 49 1.190% * 0.0106% (0.27 1.0 0.02 0.02) = 0.011% QG2 VAL 62 - HA VAL 65 1.190% * 0.0098% (0.25 1.0 0.02 0.02) = 0.010% QG1 VAL 47 - HA VAL 105 1.190% * 0.0096% (0.24 1.0 0.02 0.02) = 0.010% HG3 LYS+ 110 - HA VAL 73 1.190% * 0.0093% (0.23 1.0 0.02 0.02) = 0.009% QG2 VAL 62 - HA LYS+ 110 1.190% * 0.0082% (0.21 1.0 0.02 0.02) = 0.008% QD1 LEU 17 - HA VAL 73 1.190% * 0.0081% (0.20 1.0 0.02 0.02) = 0.008% QG1 VAL 105 - HA VAL 73 1.190% * 0.0078% (0.20 1.0 0.02 0.02) = 0.008% QG2 VAL 87 - HA VAL 105 1.190% * 0.0076% (0.19 1.0 0.02 0.02) = 0.008% QG2 VAL 40 - HA VAL 105 1.190% * 0.0076% (0.19 1.0 0.02 0.02) = 0.008% QG2 VAL 73 - HA VAL 65 1.190% * 0.0076% (0.19 1.0 0.02 0.02) = 0.008% HG3 LYS+ 117 - HA VAL 65 1.190% * 0.0076% (0.19 1.0 0.02 0.02) = 0.008% QG2 ILE 29 - HA VAL 65 1.190% * 0.0069% (0.17 1.0 0.02 0.02) = 0.007% QG2 VAL 62 - HA VAL 87 1.190% * 0.0064% (0.16 1.0 0.02 0.02) = 0.006% QG2 VAL 73 - HA LYS+ 110 1.190% * 0.0063% (0.16 1.0 0.02 0.02) = 0.006% HG3 LYS+ 117 - HA LYS+ 110 1.190% * 0.0063% (0.16 1.0 0.02 0.02) = 0.006% QG2 ILE 29 - HA LYS+ 110 1.190% * 0.0058% (0.15 1.0 0.02 0.02) = 0.006% QD1 LEU 67 - HA LYS+ 110 1.190% * 0.0052% (0.13 1.0 0.02 0.02) = 0.005% QG1 VAL 47 - HA VAL 65 1.190% * 0.0050% (0.13 1.0 0.02 0.02) = 0.005% QG2 VAL 73 - HA VAL 87 1.190% * 0.0050% (0.13 1.0 0.02 0.02) = 0.005% HG3 LYS+ 117 - HA VAL 87 1.190% * 0.0050% (0.13 1.0 0.02 0.02) = 0.005% QG2 ILE 29 - HA VAL 87 1.190% * 0.0045% (0.11 1.0 0.02 0.02) = 0.005% QG2 VAL 87 - HB3 SER 49 1.190% * 0.0043% (0.11 1.0 0.02 0.02) = 0.004% QG2 VAL 40 - HB3 SER 49 1.190% * 0.0043% (0.11 1.0 0.02 0.02) = 0.004% QG1 VAL 47 - HA LYS+ 110 1.190% * 0.0042% (0.11 1.0 0.02 0.02) = 0.004% QD1 LEU 67 - HA VAL 87 1.190% * 0.0041% (0.10 1.0 0.02 0.02) = 0.004% QG2 VAL 40 - HA VAL 65 1.190% * 0.0040% (0.10 1.0 0.02 0.02) = 0.004% QG2 VAL 87 - HA VAL 65 1.190% * 0.0040% (0.10 1.0 0.02 0.02) = 0.004% QG2 VAL 87 - HA LYS+ 110 1.190% * 0.0033% (0.08 1.0 0.02 0.02) = 0.003% QG2 VAL 40 - HA LYS+ 110 1.190% * 0.0033% (0.08 1.0 0.02 0.02) = 0.003% QG1 VAL 47 - HA VAL 87 1.190% * 0.0033% (0.08 1.0 0.02 0.02) = 0.003% QG2 ILE 29 - HA VAL 73 1.190% * 0.0032% (0.08 1.0 0.02 0.02) = 0.003% QG2 VAL 40 - HA VAL 87 1.190% * 0.0026% (0.07 1.0 0.02 0.02) = 0.003% QG2 VAL 40 - HA VAL 73 1.190% * 0.0018% (0.05 1.0 0.02 0.02) = 0.002% QG2 VAL 87 - HA VAL 73 1.190% * 0.0018% (0.05 1.0 0.02 0.02) = 0.002% Peak 4092 (0.91, 0.91, 20.50 ppm): 13 chemical-shift based assignments, quality = 0.105, support = 0.103, residual support = 0.02: QG1 VAL 47 - QG2 VAL 125 7.692% * 48.7777% (0.11 0.19 0.02) = 48.778% kept QG2 VAL 80 - QG2 VAL 125 7.692% * 6.6727% (0.14 0.02 0.02) = 6.673% kept HG3 LYS+ 117 - QG2 VAL 125 7.692% * 6.2147% (0.13 0.02 0.02) = 6.215% kept HG3 LYS+ 110 - QG2 VAL 125 7.692% * 5.9578% (0.12 0.02 0.02) = 5.958% kept QD1 LEU 67 - QG2 VAL 125 7.692% * 5.6861% (0.12 0.02 0.02) = 5.686% kept HG12 ILE 68 - QG2 VAL 125 7.692% * 5.4028% (0.11 0.02 0.02) = 5.403% kept QG2 VAL 87 - QG2 VAL 125 7.692% * 4.5128% (0.09 0.02 0.02) = 4.513% kept QG2 VAL 40 - QG2 VAL 125 7.692% * 4.5128% (0.09 0.02 0.02) = 4.513% kept QG2 VAL 105 - QG2 VAL 125 7.692% * 3.3357% (0.07 0.02 0.02) = 3.336% kept QD1 LEU 17 - QG2 VAL 125 7.692% * 3.0588% (0.06 0.02 0.02) = 3.059% kept QG1 VAL 105 - QG2 VAL 125 7.692% * 2.7924% (0.06 0.02 0.02) = 2.792% kept QG1 VAL 80 - QG2 VAL 125 7.692% * 2.0687% (0.04 0.02 0.02) = 2.069% kept QG2 VAL 62 - QG2 VAL 125 7.692% * 1.0069% (0.02 0.02 0.02) = 1.007% kept Reference assignment not found: QG2 VAL 87 - QG2 VAL 87 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 4093 (3.53, 0.45, 25.58 ppm): 6 chemical-shift based assignments, quality = 0.378, support = 3.27, residual support = 32.1: * T HB2 SER 69 - QD2 LEU 74 16.667% * 68.9565% (0.35 10.00 3.82 42.02) = 68.956% kept HA LYS+ 44 - QD2 LEU 74 16.667% * 11.7094% (0.82 1.00 1.45 0.61) = 11.709% kept HA LYS+ 44 - QD2 LEU 43 16.667% * 10.6792% (0.29 1.00 3.80 27.76) = 10.679% kept T HB2 SER 69 - QD2 LEU 43 16.667% * 8.4288% (0.12 10.00 0.70 1.67) = 8.429% kept HA1 GLY 26 - QD2 LEU 74 16.667% * 0.1677% (0.85 1.00 0.02 0.02) = 0.168% HA1 GLY 26 - QD2 LEU 43 16.667% * 0.0583% (0.30 1.00 0.02 0.02) = 0.058% Peak 4094 (3.72, -0.03, 22.30 ppm): 5 chemical-shift based assignments, quality = 0.831, support = 3.59, residual support = 39.6: * T HB3 SER 69 - QD1 LEU 74 20.000% * 94.2838% (0.85 10.00 3.76 42.02) = 94.284% kept HA LYS+ 81 - QD1 LEU 74 20.000% * 3.4666% (0.60 1.00 1.05 0.32) = 3.467% kept HA LEU 43 - QD1 LEU 74 20.000% * 1.4148% (0.34 1.00 0.76 1.31) = 1.415% kept HB2 TRP 51 - QD1 LEU 74 20.000% * 0.8202% (0.52 1.00 0.29 0.02) = 0.820% HD3 PRO 104 - QD1 LEU 74 20.000% * 0.0147% (0.13 1.00 0.02 0.02) = 0.015% Peak 4095 (4.20, -0.03, 22.35 ppm): 5 chemical-shift based assignments, quality = 0.603, support = 3.46, residual support = 7.78: * HA VAL 73 - QD1 LEU 74 20.000% * 76.9314% (0.57 4.24 10.05) = 76.931% kept HA ASP- 82 - QD1 LEU 74 20.000% * 21.9527% (0.76 0.90 0.23) = 21.953% kept HB3 SER 49 - QD1 LEU 74 20.000% * 0.5032% (0.78 0.02 0.71) = 0.503% HA VAL 65 - QD1 LEU 74 20.000% * 0.4148% (0.65 0.02 0.02) = 0.415% HA GLU- 12 - QD1 LEU 74 20.000% * 0.1979% (0.31 0.02 0.02) = 0.198% Peak 4096 (0.92, 4.19, 62.90 ppm): 70 chemical-shift based assignments, quality = 0.34, support = 2.21, residual support = 9.41: O QG2 VAL 73 - HA VAL 73 1.429% * 22.4344% (0.21 10.0 2.95 24.82) = 22.434% kept O QG2 VAL 105 - HA VAL 105 1.429% * 11.7473% (0.11 10.0 2.47 5.92) = 11.747% kept * HG12 ILE 68 - HA VAL 73 1.429% * 11.1155% (0.90 1.0 2.33 1.95) = 11.116% kept O QG1 VAL 105 - HA VAL 105 1.429% * 10.4653% (0.10 10.0 2.42 5.92) = 10.465% kept O QG2 VAL 87 - HA VAL 87 1.429% * 10.0249% (0.09 10.0 3.15 20.87) = 10.025% kept HG12 ILE 68 - HB3 SER 49 1.429% * 7.2392% (0.77 1.0 1.77 1.95) = 7.239% kept HG12 ILE 68 - HA VAL 65 1.429% * 4.8012% (0.52 1.0 1.76 1.17) = 4.801% kept QD1 LEU 67 - HA VAL 73 1.429% * 4.7615% (0.46 1.0 1.94 0.02) = 4.761% kept HG3 LYS+ 117 - HA VAL 73 1.429% * 4.6901% (0.54 1.0 1.64 0.13) = 4.690% kept QD1 LEU 67 - HA VAL 65 1.429% * 1.4758% (0.27 1.0 1.05 0.72) = 1.476% kept QG2 VAL 105 - HB3 SER 49 1.429% * 1.4447% (0.59 1.0 0.46 0.02) = 1.445% kept QG1 VAL 105 - HB3 SER 49 1.429% * 1.2359% (0.53 1.0 0.44 0.02) = 1.236% kept QG1 VAL 47 - HB3 SER 49 1.429% * 1.1185% (0.34 1.0 0.63 0.02) = 1.119% kept QD1 LEU 67 - HB3 SER 49 1.429% * 1.1120% (0.40 1.0 0.53 0.02) = 1.112% kept QG1 VAL 47 - HA VAL 73 1.429% * 1.0948% (0.39 1.0 0.53 0.02) = 1.095% kept HG12 ILE 68 - HA VAL 105 1.429% * 0.9612% (0.14 1.0 1.26 0.60) = 0.961% QG2 VAL 62 - HA VAL 73 1.429% * 0.6856% (0.29 1.0 0.44 0.02) = 0.686% HG3 LYS+ 117 - HB3 SER 49 1.429% * 0.6396% (0.46 1.0 0.26 0.55) = 0.640% QG2 ILE 29 - HB3 SER 49 1.429% * 0.4428% (0.16 1.0 0.52 0.02) = 0.443% QG2 VAL 80 - HA VAL 73 1.429% * 0.4427% (0.95 1.0 0.09 0.57) = 0.443% QD1 LEU 67 - HA VAL 105 1.429% * 0.3526% (0.07 1.0 0.90 0.02) = 0.353% QG2 VAL 105 - HA VAL 73 1.429% * 0.2761% (0.69 1.0 0.08 0.02) = 0.276% QG2 VAL 73 - HB3 SER 49 1.429% * 0.1261% (0.18 1.0 0.13 0.02) = 0.126% HG3 LYS+ 110 - HA VAL 73 1.429% * 0.0988% (0.93 1.0 0.02 0.02) = 0.099% QG2 VAL 80 - HB3 SER 49 1.429% * 0.0863% (0.82 1.0 0.02 0.02) = 0.086% HG3 LYS+ 110 - HB3 SER 49 1.429% * 0.0846% (0.80 1.0 0.02 0.02) = 0.085% QD1 LEU 17 - HA VAL 73 1.429% * 0.0692% (0.65 1.0 0.02 0.02) = 0.069% QG1 VAL 105 - HA VAL 73 1.429% * 0.0652% (0.62 1.0 0.02 0.02) = 0.065% QD1 LEU 17 - HB3 SER 49 1.429% * 0.0593% (0.56 1.0 0.02 0.02) = 0.059% QG2 VAL 80 - HA VAL 65 1.429% * 0.0578% (0.55 1.0 0.02 0.02) = 0.058% HG3 LYS+ 110 - HA VAL 65 1.429% * 0.0567% (0.54 1.0 0.02 0.02) = 0.057% QG2 VAL 105 - HA VAL 65 1.429% * 0.0420% (0.40 1.0 0.02 0.02) = 0.042% QD1 LEU 17 - HA VAL 65 1.429% * 0.0397% (0.38 1.0 0.02 0.02) = 0.040% QG1 VAL 105 - HA VAL 65 1.429% * 0.0374% (0.35 1.0 0.02 0.02) = 0.037% QG2 VAL 40 - HA VAL 73 1.429% * 0.0344% (0.33 1.0 0.02 0.02) = 0.034% QG2 VAL 87 - HA VAL 73 1.429% * 0.0344% (0.33 1.0 0.02 0.02) = 0.034% HG3 LYS+ 117 - HA VAL 65 1.429% * 0.0327% (0.31 1.0 0.02 0.02) = 0.033% QG2 VAL 87 - HB3 SER 49 1.429% * 0.0294% (0.28 1.0 0.02 0.02) = 0.029% QG2 VAL 40 - HB3 SER 49 1.429% * 0.0294% (0.28 1.0 0.02 0.02) = 0.029% QG2 VAL 80 - HA VAL 87 1.429% * 0.0294% (0.28 1.0 0.02 0.02) = 0.029% HG3 LYS+ 110 - HA VAL 87 1.429% * 0.0288% (0.27 1.0 0.02 0.02) = 0.029% HG12 ILE 68 - HA VAL 87 1.429% * 0.0278% (0.26 1.0 0.02 0.02) = 0.028% QG2 VAL 62 - HB3 SER 49 1.429% * 0.0266% (0.25 1.0 0.02 0.02) = 0.027% QG1 VAL 47 - HA VAL 65 1.429% * 0.0238% (0.22 1.0 0.02 0.02) = 0.024% QG2 VAL 105 - HA VAL 87 1.429% * 0.0213% (0.20 1.0 0.02 0.02) = 0.021% QD1 LEU 17 - HA VAL 87 1.429% * 0.0202% (0.19 1.0 0.02 0.02) = 0.020% QG2 ILE 29 - HA VAL 73 1.429% * 0.0199% (0.19 1.0 0.02 0.02) = 0.020% QG2 VAL 40 - HA VAL 65 1.429% * 0.0197% (0.19 1.0 0.02 0.02) = 0.020% QG2 VAL 87 - HA VAL 65 1.429% * 0.0197% (0.19 1.0 0.02 0.02) = 0.020% QG1 VAL 105 - HA VAL 87 1.429% * 0.0190% (0.18 1.0 0.02 0.02) = 0.019% QG2 VAL 62 - HA VAL 65 1.429% * 0.0178% (0.17 1.0 0.02 0.02) = 0.018% HG3 LYS+ 117 - HA VAL 87 1.429% * 0.0166% (0.16 1.0 0.02 0.02) = 0.017% QG2 VAL 80 - HA VAL 105 1.429% * 0.0162% (0.15 1.0 0.02 0.02) = 0.016% HG3 LYS+ 110 - HA VAL 105 1.429% * 0.0159% (0.15 1.0 0.02 0.02) = 0.016% QD1 LEU 67 - HA VAL 87 1.429% * 0.0143% (0.14 1.0 0.02 0.02) = 0.014% QG2 VAL 73 - HA VAL 65 1.429% * 0.0129% (0.12 1.0 0.02 0.02) = 0.013% QG1 VAL 47 - HA VAL 87 1.429% * 0.0121% (0.11 1.0 0.02 0.02) = 0.012% QG2 ILE 29 - HA VAL 65 1.429% * 0.0114% (0.11 1.0 0.02 0.02) = 0.011% QD1 LEU 17 - HA VAL 105 1.429% * 0.0111% (0.11 1.0 0.02 0.02) = 0.011% QG2 VAL 40 - HA VAL 87 1.429% * 0.0100% (0.09 1.0 0.02 0.02) = 0.010% HG3 LYS+ 117 - HA VAL 105 1.429% * 0.0092% (0.09 1.0 0.02 0.02) = 0.009% QG2 VAL 62 - HA VAL 87 1.429% * 0.0091% (0.09 1.0 0.02 0.02) = 0.009% QG1 VAL 47 - HA VAL 105 1.429% * 0.0067% (0.06 1.0 0.02 0.02) = 0.007% QG2 VAL 73 - HA VAL 87 1.429% * 0.0065% (0.06 1.0 0.02 0.02) = 0.007% QG2 ILE 29 - HA VAL 87 1.429% * 0.0058% (0.06 1.0 0.02 0.02) = 0.006% QG2 VAL 40 - HA VAL 105 1.429% * 0.0055% (0.05 1.0 0.02 0.02) = 0.006% QG2 VAL 87 - HA VAL 105 1.429% * 0.0055% (0.05 1.0 0.02 0.02) = 0.006% QG2 VAL 62 - HA VAL 105 1.429% * 0.0050% (0.05 1.0 0.02 0.02) = 0.005% QG2 VAL 73 - HA VAL 105 1.429% * 0.0036% (0.03 1.0 0.02 0.02) = 0.004% QG2 ILE 29 - HA VAL 105 1.429% * 0.0032% (0.03 1.0 0.02 0.38) = 0.003% Peak 4097 (0.94, 4.18, 62.90 ppm): 50 chemical-shift based assignments, quality = 0.714, support = 2.59, residual support = 17.5: * O QG2 VAL 73 - HA VAL 73 2.000% * 65.4229% (0.93 10.0 2.95 24.82) = 65.423% kept O QG1 VAL 105 - HA VAL 105 2.000% * 9.8257% (0.14 10.0 2.42 5.92) = 9.826% kept O QG2 VAL 105 - HA VAL 105 2.000% * 9.0703% (0.13 10.0 2.47 5.92) = 9.070% kept HG12 ILE 68 - HA VAL 73 2.000% * 4.1590% (0.51 1.0 2.33 1.95) = 4.159% kept HG12 ILE 68 - HB3 SER 49 2.000% * 2.6931% (0.43 1.0 1.77 1.95) = 2.693% kept HG12 ILE 68 - HA VAL 65 2.000% * 1.7875% (0.29 1.0 1.76 1.17) = 1.787% kept QG2 VAL 62 - HA VAL 73 2.000% * 1.4910% (0.96 1.0 0.44 0.02) = 1.491% kept QG2 ILE 29 - HB3 SER 49 2.000% * 1.4159% (0.78 1.0 0.52 0.02) = 1.416% kept QG1 VAL 105 - HB3 SER 49 2.000% * 1.1085% (0.71 1.0 0.44 0.02) = 1.108% kept QG2 VAL 105 - HB3 SER 49 2.000% * 1.0656% (0.66 1.0 0.46 0.02) = 1.066% kept HG12 ILE 68 - HA VAL 105 2.000% * 0.3743% (0.08 1.0 1.26 0.60) = 0.374% QG2 VAL 73 - HB3 SER 49 2.000% * 0.3656% (0.79 1.0 0.13 0.02) = 0.366% QG2 VAL 105 - HA VAL 73 2.000% * 0.2048% (0.77 1.0 0.08 0.02) = 0.205% QG2 VAL 80 - HA VAL 73 2.000% * 0.1016% (0.33 1.0 0.09 0.57) = 0.102% QG2 ILE 29 - HA VAL 73 2.000% * 0.0641% (0.91 1.0 0.02 0.02) = 0.064% QG1 VAL 105 - HA VAL 73 2.000% * 0.0588% (0.84 1.0 0.02 0.02) = 0.059% QG2 VAL 62 - HB3 SER 49 2.000% * 0.0576% (0.82 1.0 0.02 0.02) = 0.058% QD1 LEU 17 - HA VAL 73 2.000% * 0.0566% (0.81 1.0 0.02 0.02) = 0.057% QD1 LEU 17 - HB3 SER 49 2.000% * 0.0482% (0.69 1.0 0.02 0.02) = 0.048% QG2 VAL 99 - HA VAL 73 2.000% * 0.0411% (0.59 1.0 0.02 0.02) = 0.041% QG2 VAL 62 - HA VAL 65 2.000% * 0.0386% (0.55 1.0 0.02 0.02) = 0.039% QG2 VAL 73 - HA VAL 65 2.000% * 0.0374% (0.53 1.0 0.02 0.02) = 0.037% QG2 ILE 29 - HA VAL 65 2.000% * 0.0366% (0.52 1.0 0.02 0.02) = 0.037% QG2 VAL 99 - HB3 SER 49 2.000% * 0.0350% (0.50 1.0 0.02 0.02) = 0.035% QG1 VAL 105 - HA VAL 65 2.000% * 0.0336% (0.48 1.0 0.02 0.02) = 0.034% QD1 LEU 17 - HA VAL 65 2.000% * 0.0323% (0.46 1.0 0.02 0.02) = 0.032% QG2 VAL 105 - HA VAL 65 2.000% * 0.0310% (0.44 1.0 0.02 0.02) = 0.031% HG3 LYS+ 110 - HA VAL 73 2.000% * 0.0304% (0.43 1.0 0.02 0.02) = 0.030% HG3 LYS+ 110 - HB3 SER 49 2.000% * 0.0259% (0.37 1.0 0.02 0.02) = 0.026% QG2 VAL 99 - HA VAL 65 2.000% * 0.0235% (0.33 1.0 0.02 0.02) = 0.023% QG2 VAL 62 - HA VAL 87 2.000% * 0.0211% (0.30 1.0 0.02 0.02) = 0.021% QG2 VAL 73 - HA VAL 87 2.000% * 0.0204% (0.29 1.0 0.02 0.02) = 0.020% QG2 ILE 29 - HA VAL 87 2.000% * 0.0200% (0.28 1.0 0.02 0.02) = 0.020% QG2 VAL 80 - HB3 SER 49 2.000% * 0.0197% (0.28 1.0 0.02 0.02) = 0.020% QG1 VAL 105 - HA VAL 87 2.000% * 0.0183% (0.26 1.0 0.02 0.02) = 0.018% QD1 LEU 17 - HA VAL 87 2.000% * 0.0176% (0.25 1.0 0.02 0.02) = 0.018% HG3 LYS+ 110 - HA VAL 65 2.000% * 0.0174% (0.25 1.0 0.02 0.02) = 0.017% QG2 VAL 105 - HA VAL 87 2.000% * 0.0169% (0.24 1.0 0.02 0.02) = 0.017% QG2 VAL 80 - HA VAL 65 2.000% * 0.0132% (0.19 1.0 0.02 0.02) = 0.013% QG2 VAL 99 - HA VAL 87 2.000% * 0.0128% (0.18 1.0 0.02 0.02) = 0.013% QG2 VAL 62 - HA VAL 105 2.000% * 0.0113% (0.16 1.0 0.02 0.02) = 0.011% HG12 ILE 68 - HA VAL 87 2.000% * 0.0111% (0.16 1.0 0.02 0.02) = 0.011% QG2 VAL 73 - HA VAL 105 2.000% * 0.0109% (0.16 1.0 0.02 0.02) = 0.011% QG2 ILE 29 - HA VAL 105 2.000% * 0.0107% (0.15 1.0 0.02 0.38) = 0.011% QD1 LEU 17 - HA VAL 105 2.000% * 0.0095% (0.13 1.0 0.02 0.02) = 0.009% HG3 LYS+ 110 - HA VAL 87 2.000% * 0.0095% (0.13 1.0 0.02 0.02) = 0.009% QG2 VAL 80 - HA VAL 87 2.000% * 0.0072% (0.10 1.0 0.02 0.02) = 0.007% QG2 VAL 99 - HA VAL 105 2.000% * 0.0069% (0.10 1.0 0.02 0.02) = 0.007% HG3 LYS+ 110 - HA VAL 105 2.000% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% QG2 VAL 80 - HA VAL 105 2.000% * 0.0039% (0.06 1.0 0.02 0.02) = 0.004% Peak 4098 (8.81, 0.68, 17.95 ppm): 10 chemical-shift based assignments, quality = 0.319, support = 2.12, residual support = 5.99: * HN SER 69 - QG2 ILE 68 10.000% * 53.0729% (0.24 3.55 10.87) = 53.073% kept HN LYS+ 32 - QG2 ILE 101 10.000% * 20.4141% (0.44 0.73 1.04) = 20.414% kept HN LYS+ 60 - QG2 ILE 68 10.000% * 13.7274% (0.48 0.45 0.02) = 13.727% kept HN LYS+ 60 - QG2 ILE 101 10.000% * 6.9892% (0.31 0.35 0.02) = 6.989% kept HN ASN 57 - QG2 ILE 101 10.000% * 2.8193% (0.50 0.09 0.02) = 2.819% kept HN ASN 57 - QG2 ILE 68 10.000% * 0.9641% (0.77 0.02 0.02) = 0.964% HN SER 69 - QG2 ILE 101 10.000% * 0.8785% (0.15 0.09 0.02) = 0.878% HN LYS+ 32 - QG2 ILE 68 10.000% * 0.8608% (0.68 0.02 0.02) = 0.861% HN THR 95 - QG2 ILE 68 10.000% * 0.1659% (0.13 0.02 0.02) = 0.166% HN THR 95 - QG2 ILE 101 10.000% * 0.1077% (0.09 0.02 0.02) = 0.108% Peak 4099 (2.23, 1.15, 19.91 ppm): 14 chemical-shift based assignments, quality = 0.327, support = 2.66, residual support = 7.24: * T HG3 GLU- 18 - QB ALA 33 7.143% * 85.6860% (0.34 10.00 2.89 8.16) = 85.686% kept HG3 GLN 16 - QB ALA 33 7.143% * 6.0338% (0.25 1.00 1.89 2.54) = 6.034% kept HG3 GLN 102 - QB ALA 33 7.143% * 5.3851% (0.36 1.00 1.18 1.76) = 5.385% kept HB3 ASN 15 - QB ALA 33 7.143% * 1.0341% (0.18 1.00 0.46 0.02) = 1.034% kept T HG3 GLU- 109 - QB ALA 33 7.143% * 0.9282% (0.37 10.00 0.02 0.02) = 0.928% HG2 PRO 112 - QB ALA 33 7.143% * 0.4139% (0.37 1.00 0.09 0.02) = 0.414% HB2 PRO 52 - QB ALA 33 7.143% * 0.0928% (0.37 1.00 0.02 0.02) = 0.093% HB2 GLU- 50 - QB ALA 33 7.143% * 0.0805% (0.32 1.00 0.02 0.02) = 0.081% HB3 GLU- 45 - QB ALA 33 7.143% * 0.0709% (0.28 1.00 0.02 0.02) = 0.071% HA1 GLY 58 - QB ALA 33 7.143% * 0.0709% (0.28 1.00 0.02 0.02) = 0.071% HG3 MET 97 - QB ALA 33 7.143% * 0.0709% (0.28 1.00 0.02 0.02) = 0.071% HG3 MET 126 - QB ALA 33 7.143% * 0.0600% (0.24 1.00 0.02 0.02) = 0.060% HG3 GLU- 10 - QB ALA 33 7.143% * 0.0600% (0.24 1.00 0.02 0.02) = 0.060% HG3 GLU- 107 - QB ALA 33 7.143% * 0.0126% (0.05 1.00 0.02 0.02) = 0.013% Peak 4100 (1.73, 1.72, 31.21 ppm): 1 diagonal assignment: * HB2 GLN 16 - HB2 GLN 16 (0.76) kept Peak 4102 (5.08, 3.17, 42.79 ppm): 2 chemical-shift based assignments, quality = 0.388, support = 2.64, residual support = 41.0: * O HA PHE 34 - HB3 PHE 34 50.000% * 99.9937% (0.39 10.0 2.64 41.03) = 99.994% kept HA PHE 34 - HE3 LYS+ 108 50.000% * 0.0063% (0.02 1.0 0.02 0.02) = 0.006% Peak 4103 (3.18, 3.17, 42.79 ppm): 1 diagonal assignment: * HB3 PHE 34 - HB3 PHE 34 (0.69) kept Peak 4104 (2.60, 2.60, 42.79 ppm): 1 diagonal assignment: * HB2 PHE 34 - HB2 PHE 34 (0.76) kept Peak 4105 (0.90, 2.60, 42.79 ppm): 10 chemical-shift based assignments, quality = 0.717, support = 0.784, residual support = 1.94: QG1 VAL 47 - HB2 PHE 34 10.000% * 46.3007% (0.80 1.03 4.08) = 46.301% kept QD1 LEU 67 - HB2 PHE 34 10.000% * 32.4637% (0.80 0.73 0.02) = 32.464% kept QG1 VAL 80 - HB2 PHE 34 10.000% * 12.4925% (0.61 0.36 0.02) = 12.492% kept HG12 ILE 68 - HB2 PHE 34 10.000% * 5.0841% (0.20 0.45 0.84) = 5.084% kept QG2 VAL 87 - HB2 PHE 34 10.000% * 0.8893% (0.80 0.02 0.02) = 0.889% QG2 VAL 40 - HB2 PHE 34 10.000% * 0.8893% (0.80 0.02 0.02) = 0.889% HG3 LYS+ 117 - HB2 PHE 34 10.000% * 0.8659% (0.77 0.02 0.02) = 0.866% QG2 VAL 125 - HB2 PHE 34 10.000% * 0.3689% (0.33 0.02 0.02) = 0.369% QG2 VAL 80 - HB2 PHE 34 10.000% * 0.3689% (0.33 0.02 0.02) = 0.369% HG3 LYS+ 110 - HB2 PHE 34 10.000% * 0.2769% (0.25 0.02 0.02) = 0.277% Peak 4106 (-0.11, 2.60, 42.79 ppm): 1 chemical-shift based assignment, quality = 0.696, support = 3.65, residual support = 31.8: * T QD1 LEU 43 - HB2 PHE 34 100.000% *100.0000% (0.70 10.00 3.65 31.80) = 100.000% kept Peak 4107 (0.91, 3.17, 42.79 ppm): 26 chemical-shift based assignments, quality = 0.578, support = 0.672, residual support = 1.86: QG1 VAL 47 - HB3 PHE 34 3.846% * 42.1980% (0.55 1.16 4.08) = 42.198% kept QG2 VAL 80 - HB3 PHE 34 3.846% * 17.2613% (0.72 0.36 0.02) = 17.261% kept HG12 ILE 68 - HB3 PHE 34 3.846% * 15.7512% (0.58 0.41 0.84) = 15.751% kept HG3 LYS+ 117 - HB3 PHE 34 3.846% * 13.6862% (0.67 0.31 0.02) = 13.686% kept QD1 LEU 67 - HB3 PHE 34 3.846% * 6.7325% (0.61 0.17 0.02) = 6.732% kept HG3 LYS+ 110 - HB3 PHE 34 3.846% * 0.8459% (0.64 0.02 0.02) = 0.846% QG2 VAL 87 - HB3 PHE 34 3.846% * 0.6407% (0.48 0.02 0.02) = 0.641% QG2 VAL 40 - HB3 PHE 34 3.846% * 0.6407% (0.48 0.02 0.02) = 0.641% QG2 VAL 105 - HB3 PHE 34 3.846% * 0.4736% (0.36 0.02 0.02) = 0.474% QD1 LEU 17 - HB3 PHE 34 3.846% * 0.4343% (0.33 0.02 0.02) = 0.434% QG1 VAL 105 - HB3 PHE 34 3.846% * 0.3965% (0.30 0.02 0.02) = 0.396% QG1 VAL 80 - HB3 PHE 34 3.846% * 0.2937% (0.22 0.02 0.02) = 0.294% QG2 VAL 62 - HB3 PHE 34 3.846% * 0.1430% (0.11 0.02 0.02) = 0.143% QG2 VAL 80 - HE3 LYS+ 108 3.846% * 0.0595% (0.04 0.02 0.02) = 0.060% HG3 LYS+ 117 - HE3 LYS+ 108 3.846% * 0.0554% (0.04 0.02 0.02) = 0.055% HG3 LYS+ 110 - HE3 LYS+ 108 3.846% * 0.0531% (0.04 0.02 0.39) = 0.053% QD1 LEU 67 - HE3 LYS+ 108 3.846% * 0.0507% (0.04 0.02 0.02) = 0.051% HG12 ILE 68 - HE3 LYS+ 108 3.846% * 0.0482% (0.04 0.02 0.02) = 0.048% QG1 VAL 47 - HE3 LYS+ 108 3.846% * 0.0456% (0.03 0.02 0.02) = 0.046% QG2 VAL 40 - HE3 LYS+ 108 3.846% * 0.0402% (0.03 0.02 0.02) = 0.040% QG2 VAL 87 - HE3 LYS+ 108 3.846% * 0.0402% (0.03 0.02 0.02) = 0.040% QG2 VAL 105 - HE3 LYS+ 108 3.846% * 0.0298% (0.02 0.02 0.02) = 0.030% QD1 LEU 17 - HE3 LYS+ 108 3.846% * 0.0273% (0.02 0.02 0.02) = 0.027% QG1 VAL 105 - HE3 LYS+ 108 3.846% * 0.0249% (0.02 0.02 0.02) = 0.025% QG1 VAL 80 - HE3 LYS+ 108 3.846% * 0.0185% (0.01 0.02 0.02) = 0.018% QG2 VAL 62 - HE3 LYS+ 108 3.846% * 0.0090% (0.01 0.02 0.02) = 0.009% Peak 4108 (-0.11, 3.17, 42.79 ppm): 2 chemical-shift based assignments, quality = 0.692, support = 4.04, residual support = 31.8: * T QD1 LEU 43 - HB3 PHE 34 50.000% * 99.9937% (0.69 10.00 4.04 31.80) = 99.994% kept QD1 LEU 43 - HE3 LYS+ 108 50.000% * 0.0063% (0.04 1.00 0.02 0.02) = 0.006% Peak 4109 (1.42, 1.42, 21.49 ppm): 2 diagonal assignments: HD3 LYS+ 44 - HD3 LYS+ 44 (0.98) kept * QG2 THR 38 - QG2 THR 38 (0.85) kept Peak 4110 (1.43, 1.56, 18.48 ppm): 14 chemical-shift based assignments, quality = 0.938, support = 3.47, residual support = 3.91: * QG2 THR 38 - QB ALA 42 7.143% * 56.6740% (0.99 4.41 5.56) = 56.674% kept HD3 LYS+ 44 - QB ALA 42 7.143% * 33.7287% (0.94 2.78 2.23) = 33.729% kept HG3 ARG+ 22 - QB ALA 42 7.143% * 4.0008% (0.96 0.32 0.02) = 4.001% kept QB ALA 37 - QB ALA 42 7.143% * 3.4797% (0.56 0.48 0.02) = 3.480% kept HG LEU 90 - QB ALA 42 7.143% * 0.7639% (0.72 0.08 0.02) = 0.764% QB ALA 91 - QB ALA 42 7.143% * 0.2546% (0.99 0.02 0.02) = 0.255% HD3 LYS+ 113 - QB ALA 42 7.143% * 0.2518% (0.97 0.02 0.02) = 0.252% HG3 LYS+ 55 - QB ALA 42 7.143% * 0.2479% (0.96 0.02 0.02) = 0.248% HG3 LYS+ 113 - QB ALA 42 7.143% * 0.2371% (0.92 0.02 0.02) = 0.237% HG LEU 67 - QB ALA 42 7.143% * 0.0964% (0.37 0.02 0.02) = 0.096% HG13 ILE 100 - QB ALA 42 7.143% * 0.0876% (0.34 0.02 0.02) = 0.088% QB ALA 93 - QB ALA 42 7.143% * 0.0876% (0.34 0.02 0.02) = 0.088% HG2 PRO 59 - QB ALA 42 7.143% * 0.0450% (0.17 0.02 0.02) = 0.045% HG3 LYS+ 60 - QB ALA 42 7.143% * 0.0450% (0.17 0.02 0.02) = 0.045% Peak 4111 (1.56, 1.42, 21.49 ppm): 20 chemical-shift based assignments, quality = 0.825, support = 3.37, residual support = 3.62: T QB ALA 42 - HD3 LYS+ 44 5.000% * 49.2033% (0.88 10.00 2.78 2.23) = 49.203% kept * T QB ALA 42 - QG2 THR 38 5.000% * 45.4198% (0.81 10.00 4.41 5.56) = 45.420% kept T HD3 LYS+ 60 - QG2 THR 38 5.000% * 2.7654% (0.90 10.00 0.11 0.02) = 2.765% kept T HD3 LYS+ 60 - HD3 LYS+ 44 5.000% * 0.5438% (0.97 10.00 0.02 0.02) = 0.544% HB3 LEU 90 - QG2 THR 38 5.000% * 0.4874% (0.75 1.00 0.23 0.02) = 0.487% HB ILE 19 - QG2 THR 38 5.000% * 0.4361% (0.85 1.00 0.18 0.02) = 0.436% QG2 THR 24 - QG2 THR 38 5.000% * 0.4176% (0.55 1.00 0.27 0.02) = 0.418% HD3 LYS+ 81 - QG2 THR 38 5.000% * 0.2351% (0.90 1.00 0.09 0.02) = 0.235% HD3 LYS+ 81 - HD3 LYS+ 44 5.000% * 0.0549% (0.98 1.00 0.02 0.02) = 0.055% HG LEU 17 - HD3 LYS+ 44 5.000% * 0.0529% (0.94 1.00 0.02 0.02) = 0.053% HB ILE 19 - HD3 LYS+ 44 5.000% * 0.0519% (0.93 1.00 0.02 0.02) = 0.052% HG12 ILE 29 - HD3 LYS+ 44 5.000% * 0.0492% (0.88 1.00 0.02 0.02) = 0.049% HG LEU 17 - QG2 THR 38 5.000% * 0.0489% (0.87 1.00 0.02 0.02) = 0.049% HB3 LEU 90 - HD3 LYS+ 44 5.000% * 0.0458% (0.82 1.00 0.02 0.02) = 0.046% HG12 ILE 29 - QG2 THR 38 5.000% * 0.0454% (0.81 1.00 0.02 0.02) = 0.045% HG13 ILE 29 - HD3 LYS+ 44 5.000% * 0.0398% (0.71 1.00 0.02 0.02) = 0.040% HG13 ILE 29 - QG2 THR 38 5.000% * 0.0368% (0.66 1.00 0.02 0.02) = 0.037% QG2 THR 24 - HD3 LYS+ 44 5.000% * 0.0333% (0.59 1.00 0.02 0.02) = 0.033% HB3 LYS+ 32 - HD3 LYS+ 44 5.000% * 0.0169% (0.30 1.00 0.02 0.02) = 0.017% HB3 LYS+ 32 - QG2 THR 38 5.000% * 0.0156% (0.28 1.00 0.02 0.02) = 0.016% Peak 4112 (-0.10, 1.56, 18.48 ppm): 1 chemical-shift based assignment, quality = 0.94, support = 4.59, residual support = 21.6: * QD1 LEU 43 - QB ALA 42 100.000% *100.0000% (0.94 4.59 21.63) = 100.000% kept Peak 4113 (1.41, 2.60, 42.79 ppm): 13 chemical-shift based assignments, quality = 0.676, support = 2.48, residual support = 7.55: HD3 LYS+ 44 - HB2 PHE 34 7.692% * 54.7399% (0.72 3.54 13.12) = 54.740% kept QB ALA 37 - HB2 PHE 34 7.692% * 21.2128% (0.77 1.28 0.32) = 21.213% kept * QG2 THR 38 - HB2 PHE 34 7.692% * 17.0441% (0.58 1.36 1.04) = 17.044% kept HD3 LYS+ 20 - HB2 PHE 34 7.692% * 5.0261% (0.36 0.65 2.39) = 5.026% kept HG LEU 67 - HB2 PHE 34 7.692% * 0.2877% (0.67 0.02 0.02) = 0.288% QB ALA 91 - HB2 PHE 34 7.692% * 0.2758% (0.64 0.02 0.02) = 0.276% QB ALA 93 - HB2 PHE 34 7.692% * 0.2758% (0.64 0.02 0.02) = 0.276% HG13 ILE 100 - HB2 PHE 34 7.692% * 0.2758% (0.64 0.02 0.02) = 0.276% HD3 LYS+ 113 - HB2 PHE 34 7.692% * 0.2089% (0.49 0.02 0.02) = 0.209% HG3 LYS+ 55 - HB2 PHE 34 7.692% * 0.1950% (0.45 0.02 0.02) = 0.195% HG3 ARG+ 22 - HB2 PHE 34 7.692% * 0.1950% (0.45 0.02 1.95) = 0.195% HG3 LYS+ 113 - HB2 PHE 34 7.692% * 0.1676% (0.39 0.02 0.02) = 0.168% HG LEU 90 - HB2 PHE 34 7.692% * 0.0958% (0.22 0.02 0.02) = 0.096% Peak 4114 (3.46, 2.27, 32.00 ppm): 12 chemical-shift based assignments, quality = 0.789, support = 3.27, residual support = 25.4: * O T HA VAL 80 - HB VAL 80 8.333% * 99.2280% (0.80 10.0 10.00 3.30 25.64) = 99.228% kept T HA VAL 80 - HB3 PRO 112 8.333% * 0.2752% (0.22 1.0 10.00 0.02 0.02) = 0.275% HD3 PRO 31 - HB VAL 80 8.333% * 0.1185% (0.95 1.0 1.00 0.02 0.02) = 0.119% HA1 GLY 71 - HB VAL 80 8.333% * 0.1164% (0.93 1.0 1.00 0.02 0.02) = 0.116% HA VAL 40 - HB VAL 80 8.333% * 0.0951% (0.76 1.0 1.00 0.02 0.12) = 0.095% HA VAL 62 - HB VAL 80 8.333% * 0.0405% (0.32 1.0 1.00 0.02 0.88) = 0.041% HD3 PRO 31 - HB3 PRO 112 8.333% * 0.0329% (0.26 1.0 1.00 0.02 0.02) = 0.033% HA1 GLY 71 - HB3 PRO 112 8.333% * 0.0323% (0.26 1.0 1.00 0.02 0.02) = 0.032% HA VAL 40 - HB3 PRO 112 8.333% * 0.0264% (0.21 1.0 1.00 0.02 0.02) = 0.026% HA1 GLY 30 - HB VAL 80 8.333% * 0.0183% (0.15 1.0 1.00 0.02 0.02) = 0.018% HA VAL 62 - HB3 PRO 112 8.333% * 0.0112% (0.09 1.0 1.00 0.02 0.10) = 0.011% HA1 GLY 30 - HB3 PRO 112 8.333% * 0.0051% (0.04 1.0 1.00 0.02 0.02) = 0.005% Peak 4115 (3.44, 0.94, 22.36 ppm): 18 chemical-shift based assignments, quality = 0.798, support = 2.08, residual support = 15.8: O T HA VAL 62 - QG2 VAL 62 5.556% * 47.7024% (0.92 10.0 10.00 2.95 32.46) = 47.702% kept T HA VAL 80 - QG2 VAL 62 5.556% * 25.7503% (0.71 1.0 10.00 1.40 0.88) = 25.750% kept T HA VAL 80 - QG2 VAL 73 5.556% * 23.0974% (0.67 1.0 10.00 1.33 0.57) = 23.097% kept T HA VAL 62 - QG2 VAL 73 5.556% * 2.5116% (0.87 1.0 10.00 0.11 0.02) = 2.512% kept T HA VAL 40 - QG2 VAL 62 5.556% * 0.3854% (0.74 1.0 10.00 0.02 0.02) = 0.385% T HA VAL 40 - QG2 VAL 73 5.556% * 0.3643% (0.70 1.0 10.00 0.02 0.02) = 0.364% HA ILE 48 - QG2 VAL 62 5.556% * 0.0368% (0.71 1.0 1.00 0.02 9.49) = 0.037% HA ILE 48 - QG2 VAL 73 5.556% * 0.0348% (0.67 1.0 1.00 0.02 0.02) = 0.035% T HA ILE 48 - QG1 VAL 47 5.556% * 0.0322% (0.06 1.0 10.00 0.02 33.51) = 0.032% HD3 PRO 31 - QG2 VAL 62 5.556% * 0.0216% (0.42 1.0 1.00 0.02 0.02) = 0.022% HD3 PRO 31 - QG2 VAL 73 5.556% * 0.0204% (0.39 1.0 1.00 0.02 0.02) = 0.020% HA1 GLY 71 - QG2 VAL 62 5.556% * 0.0149% (0.29 1.0 1.00 0.02 0.24) = 0.015% HA1 GLY 71 - QG2 VAL 73 5.556% * 0.0140% (0.27 1.0 1.00 0.02 0.02) = 0.014% HA VAL 62 - QG1 VAL 47 5.556% * 0.0042% (0.08 1.0 1.00 0.02 0.02) = 0.004% HA VAL 40 - QG1 VAL 47 5.556% * 0.0034% (0.06 1.0 1.00 0.02 0.02) = 0.003% HA VAL 80 - QG1 VAL 47 5.556% * 0.0032% (0.06 1.0 1.00 0.02 0.02) = 0.003% HD3 PRO 31 - QG1 VAL 47 5.556% * 0.0019% (0.04 1.0 1.00 0.02 0.02) = 0.002% HA1 GLY 71 - QG1 VAL 47 5.556% * 0.0013% (0.03 1.0 1.00 0.02 0.02) = 0.001% Reference assignment not found: HA VAL 80 - QG2 VAL 80 Peak 4116 (1.42, 3.17, 42.79 ppm): 26 chemical-shift based assignments, quality = 0.675, support = 2.24, residual support = 7.47: HD3 LYS+ 44 - HB3 PHE 34 3.846% * 54.3046% (0.75 3.30 13.12) = 54.305% kept QG2 THR 38 - HB3 PHE 34 3.846% * 18.8646% (0.64 1.35 1.04) = 18.865% kept HG LEU 67 - HB3 PHE 34 3.846% * 12.5092% (0.61 0.94 0.02) = 12.509% kept QB ALA 37 - HB3 PHE 34 3.846% * 7.2668% (0.74 0.45 0.32) = 7.267% kept HD3 LYS+ 20 - HB3 PHE 34 3.846% * 5.0450% (0.30 0.77 2.39) = 5.045% kept QB ALA 91 - HB3 PHE 34 3.846% * 0.3019% (0.69 0.02 0.02) = 0.302% QB ALA 93 - HB3 PHE 34 3.846% * 0.2528% (0.58 0.02 0.02) = 0.253% HG13 ILE 100 - HB3 PHE 34 3.846% * 0.2528% (0.58 0.02 0.02) = 0.253% HD3 LYS+ 113 - HB3 PHE 34 3.846% * 0.2391% (0.55 0.02 0.02) = 0.239% HG3 LYS+ 55 - HB3 PHE 34 3.846% * 0.2252% (0.52 0.02 0.02) = 0.225% HG3 ARG+ 22 - HB3 PHE 34 3.846% * 0.2252% (0.52 0.02 1.95) = 0.225% HG3 LYS+ 113 - HB3 PHE 34 3.846% * 0.1971% (0.45 0.02 0.02) = 0.197% HG LEU 90 - HB3 PHE 34 3.846% * 0.1187% (0.27 0.02 0.02) = 0.119% HD3 LYS+ 44 - HE3 LYS+ 108 3.846% * 0.0207% (0.05 0.02 0.02) = 0.021% QB ALA 37 - HE3 LYS+ 108 3.846% * 0.0202% (0.05 0.02 0.02) = 0.020% QB ALA 91 - HE3 LYS+ 108 3.846% * 0.0190% (0.04 0.02 0.02) = 0.019% QG2 THR 38 - HE3 LYS+ 108 3.846% * 0.0175% (0.04 0.02 0.02) = 0.018% HG LEU 67 - HE3 LYS+ 108 3.846% * 0.0167% (0.04 0.02 0.02) = 0.017% HG13 ILE 100 - HE3 LYS+ 108 3.846% * 0.0159% (0.04 0.02 0.02) = 0.016% QB ALA 93 - HE3 LYS+ 108 3.846% * 0.0159% (0.04 0.02 0.02) = 0.016% HD3 LYS+ 113 - HE3 LYS+ 108 3.846% * 0.0150% (0.03 0.02 0.02) = 0.015% HG3 ARG+ 22 - HE3 LYS+ 108 3.846% * 0.0141% (0.03 0.02 0.02) = 0.014% HG3 LYS+ 55 - HE3 LYS+ 108 3.846% * 0.0141% (0.03 0.02 0.02) = 0.014% HG3 LYS+ 113 - HE3 LYS+ 108 3.846% * 0.0124% (0.03 0.02 0.02) = 0.012% HD3 LYS+ 20 - HE3 LYS+ 108 3.846% * 0.0082% (0.02 0.02 0.02) = 0.008% HG LEU 90 - HE3 LYS+ 108 3.846% * 0.0075% (0.02 0.02 0.02) = 0.007% Peak 4117 (3.17, -0.11, 21.88 ppm): 3 chemical-shift based assignments, quality = 0.897, support = 4.03, residual support = 31.8: * T HB3 PHE 34 - QD1 LEU 43 33.333% * 99.8761% (0.90 10.00 4.04 31.80) = 99.876% kept HD3 ARG+ 84 - QD1 LEU 43 33.333% * 0.1072% (0.96 1.00 0.02 0.02) = 0.107% HB3 HIS+ 98 - QD1 LEU 43 33.333% * 0.0167% (0.15 1.00 0.02 0.02) = 0.017% Peak 4118 (1.39, 5.98, 53.56 ppm): 11 chemical-shift based assignments, quality = 0.808, support = 0.976, residual support = 2.02: HD3 LYS+ 20 - HA ASP- 28 9.091% * 34.0310% (0.88 1.33 4.62) = 34.031% kept HG13 ILE 68 - HA ASP- 28 9.091% * 23.6318% (0.95 0.86 0.54) = 23.632% kept QG2 THR 39 - HA ASP- 28 9.091% * 20.3246% (0.82 0.85 0.43) = 20.325% kept HG2 LYS+ 78 - HA ASP- 28 9.091% * 15.7583% (0.63 0.85 0.47) = 15.758% kept HB3 LYS+ 20 - HA ASP- 28 9.091% * 3.2599% (0.30 0.37 4.62) = 3.260% kept HG LEU 67 - HA ASP- 28 9.091% * 1.8566% (0.52 0.12 0.02) = 1.857% kept QB ALA 93 - HA ASP- 28 9.091% * 0.3238% (0.55 0.02 0.02) = 0.324% HG13 ILE 100 - HA ASP- 28 9.091% * 0.3238% (0.55 0.02 0.02) = 0.324% QB ALA 11 - HA ASP- 28 9.091% * 0.1951% (0.33 0.02 0.02) = 0.195% QB ALA 37 - HA ASP- 28 9.091% * 0.1951% (0.33 0.02 0.02) = 0.195% HB3 LEU 17 - HA ASP- 28 9.091% * 0.1001% (0.17 0.02 0.02) = 0.100% Peak 4119 (8.26, 0.90, 26.07 ppm): 8 chemical-shift based assignments, quality = 0.455, support = 3.3, residual support = 64.3: * HN LEU 67 - QD1 LEU 67 12.500% * 55.8795% (0.27 5.43 114.96) = 55.880% kept HN ASN 89 - QD1 LEU 67 12.500% * 21.9066% (0.62 0.91 0.13) = 21.907% kept HN ASP- 115 - QD1 LEU 67 12.500% * 10.5427% (0.86 0.32 0.02) = 10.543% kept HN THR 106 - QD1 LEU 67 12.500% * 9.1858% (0.80 0.30 0.02) = 9.186% kept HN LYS+ 81 - QD1 LEU 67 12.500% * 1.8551% (0.27 0.18 0.02) = 1.855% kept HN GLU- 12 - QD1 LEU 67 12.500% * 0.2779% (0.36 0.02 0.02) = 0.278% HN ASP- 28 - QD1 LEU 67 12.500% * 0.2059% (0.27 0.02 0.02) = 0.206% HN GLY 58 - QD1 LEU 67 12.500% * 0.1465% (0.19 0.02 0.02) = 0.147% Peak 4120 (9.50, 2.79, 42.86 ppm): 2 chemical-shift based assignments, quality = 0.763, support = 1.83, residual support = 4.07: HE1 TRP 51 - HA2 GLY 58 50.000% * 62.3350% (0.79 2.10 5.32) = 62.335% kept HN ALA 70 - HA2 GLY 58 50.000% * 37.6650% (0.72 1.39 2.01) = 37.665% kept Reference assignment not found: HE1 TRP 51 - HA1 GLY 58 Peak 4121 (9.50, 2.22, 42.86 ppm): 2 chemical-shift based assignments, quality = 0.907, support = 2.14, residual support = 3.87: * HE1 TRP 51 - HA1 GLY 58 50.000% * 56.3509% (0.94 2.29 5.32) = 56.351% kept HN ALA 70 - HA1 GLY 58 50.000% * 43.6491% (0.86 1.94 2.01) = 43.649% kept Peak 4122 (7.15, 1.78, 32.81 ppm): 2 chemical-shift based assignments, quality = 0.352, support = 0.466, residual support = 1.37: T HD1 TRP 51 - HB3 LYS+ 63 50.000% * 97.7733% (0.36 10.00 0.47 1.40) = 97.773% kept HD1 TRP 51 - HB2 LYS+ 117 50.000% * 2.2267% (0.19 1.00 0.20 0.02) = 2.227% kept Reference assignment not found: HD1 TRP 51 - HB2 PRO 59 Peak 4123 (7.16, 1.94, 32.81 ppm): 5 chemical-shift based assignments, quality = 0.516, support = 0.0359, residual support = 1.29: HD1 TRP 51 - HB3 LYS+ 55 20.000% * 29.9505% (0.83 0.02 0.42) = 29.951% kept HD1 TRP 51 - HB2 PRO 116 20.000% * 27.9333% (0.20 0.08 0.02) = 27.933% kept HD1 TRP 51 - HB2 PRO 35 20.000% * 23.6484% (0.66 0.02 0.14) = 23.648% kept HD1 TRP 51 - HB VAL 13 20.000% * 12.6101% (0.35 0.02 8.96) = 12.610% kept HD1 TRP 51 - HB2 GLU- 75 20.000% * 5.8577% (0.16 0.02 0.02) = 5.858% kept Reference assignment not found: HD1 TRP 51 - HB3 PRO 59 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 4124 (8.74, 1.78, 32.81 ppm): 8 chemical-shift based assignments, quality = 0.239, support = 2.61, residual support = 12.7: HN VAL 62 - HB3 LYS+ 63 12.500% * 62.7691% (0.19 3.55 20.03) = 62.769% kept HN GLU- 56 - HB3 LYS+ 63 12.500% * 35.3156% (0.34 1.09 0.36) = 35.316% kept HN ILE 101 - HB3 LYS+ 63 12.500% * 0.6589% (0.35 0.02 0.02) = 0.659% HN ILE 101 - HB2 LYS+ 117 12.500% * 0.3580% (0.19 0.02 0.02) = 0.358% HN GLU- 56 - HB2 LYS+ 117 12.500% * 0.3524% (0.19 0.02 0.02) = 0.352% HN PHE 34 - HB3 LYS+ 63 12.500% * 0.2293% (0.12 0.02 0.02) = 0.229% HN VAL 62 - HB2 LYS+ 117 12.500% * 0.1921% (0.10 0.02 0.02) = 0.192% HN PHE 34 - HB2 LYS+ 117 12.500% * 0.1246% (0.07 0.02 0.02) = 0.125% Peak 4125 (8.74, 1.94, 32.81 ppm): 20 chemical-shift based assignments, quality = 0.734, support = 3.25, residual support = 12.3: HN GLU- 56 - HB3 LYS+ 55 5.000% * 73.4725% (0.85 3.95 16.54) = 73.472% kept HN PHE 34 - HB2 PRO 35 5.000% * 12.5531% (0.24 2.42 1.38) = 12.553% kept HN ILE 101 - HB3 LYS+ 55 5.000% * 5.4069% (0.87 0.29 0.02) = 5.407% kept HN VAL 62 - HB3 LYS+ 55 5.000% * 3.0520% (0.46 0.30 0.02) = 3.052% kept HN PHE 34 - HB3 LYS+ 55 5.000% * 2.9118% (0.30 0.44 0.02) = 2.912% kept HN ILE 101 - HB2 PRO 35 5.000% * 1.2202% (0.68 0.08 0.02) = 1.220% kept HN GLU- 56 - HB2 PRO 35 5.000% * 0.2934% (0.67 0.02 0.02) = 0.293% HN VAL 62 - HB2 PRO 35 5.000% * 0.1600% (0.37 0.02 0.02) = 0.160% HN ILE 101 - HB VAL 13 5.000% * 0.1589% (0.36 0.02 0.02) = 0.159% HN GLU- 56 - HB VAL 13 5.000% * 0.1565% (0.36 0.02 0.02) = 0.156% HN ILE 101 - HB2 PRO 116 5.000% * 0.0915% (0.21 0.02 0.02) = 0.091% HN GLU- 56 - HB2 PRO 116 5.000% * 0.0900% (0.21 0.02 0.02) = 0.090% HN VAL 62 - HB VAL 13 5.000% * 0.0853% (0.20 0.02 0.02) = 0.085% HN ILE 101 - HB2 GLU- 75 5.000% * 0.0738% (0.17 0.02 1.34) = 0.074% HN GLU- 56 - HB2 GLU- 75 5.000% * 0.0727% (0.17 0.02 0.02) = 0.073% HN PHE 34 - HB VAL 13 5.000% * 0.0553% (0.13 0.02 0.02) = 0.055% HN VAL 62 - HB2 PRO 116 5.000% * 0.0491% (0.11 0.02 0.02) = 0.049% HN VAL 62 - HB2 GLU- 75 5.000% * 0.0396% (0.09 0.02 0.02) = 0.040% HN PHE 34 - HB2 PRO 116 5.000% * 0.0318% (0.07 0.02 0.02) = 0.032% HN PHE 34 - HB2 GLU- 75 5.000% * 0.0257% (0.06 0.02 0.02) = 0.026% Peak 4126 (1.79, 1.78, 32.81 ppm): 1 diagonal assignment: HB3 LYS+ 63 - HB3 LYS+ 63 (0.33) kept Reference assignment not found: HB2 PRO 59 - HB2 PRO 59 Peak 4127 (1.94, 1.94, 32.81 ppm): 5 diagonal assignments: HB3 LYS+ 55 - HB3 LYS+ 55 (0.79) kept HB2 PRO 35 - HB2 PRO 35 (0.45) kept HB2 PRO 116 - HB2 PRO 116 (0.20) kept HB VAL 13 - HB VAL 13 (0.20) kept HB2 GLU- 75 - HB2 GLU- 75 (0.17) kept Reference assignment not found: HB3 PRO 59 - HB3 PRO 59 Peak 4128 (8.32, 1.16, 27.45 ppm): 7 chemical-shift based assignments, quality = 0.668, support = 0.863, residual support = 0.708: HN GLY 114 - HG3 PRO 59 14.286% * 39.6662% (0.75 1.08 0.99) = 39.666% kept HN GLU- 50 - HG3 PRO 59 14.286% * 25.6371% (0.55 0.96 0.83) = 25.637% kept HN ASN 76 - HG3 PRO 59 14.286% * 22.1484% (0.74 0.61 0.46) = 22.148% kept HN VAL 99 - HG3 PRO 59 14.286% * 12.0912% (0.55 0.45 0.02) = 12.091% kept HN ALA 91 - HG3 PRO 59 14.286% * 0.1640% (0.17 0.02 0.02) = 0.164% HN GLU- 109 - HG3 PRO 59 14.286% * 0.1640% (0.17 0.02 0.02) = 0.164% HN ALA 103 - HG3 PRO 59 14.286% * 0.1290% (0.13 0.02 0.02) = 0.129% Peak 4129 (1.85, 1.85, 34.50 ppm): 2 diagonal assignments: * HB3 LYS+ 60 - HB3 LYS+ 60 (0.86) kept HB2 LYS+ 66 - HB2 LYS+ 66 (0.73) kept Peak 4130 (1.45, 1.45, 25.03 ppm): 2 diagonal assignments: * HG3 LYS+ 60 - HG3 LYS+ 60 (0.95) kept HG3 LYS+ 113 - HG3 LYS+ 113 (0.31) kept Peak 4131 (1.56, 4.36, 56.28 ppm): 20 chemical-shift based assignments, quality = 0.606, support = 3.47, residual support = 43.7: T HD3 LYS+ 60 - HA LYS+ 60 5.000% * 96.5972% (0.62 10.00 3.59 45.24) = 96.597% kept HB ILE 19 - HA LYS+ 60 5.000% * 1.6092% (0.59 1.00 0.35 0.42) = 1.609% kept T HD3 LYS+ 60 - HA TRP 51 5.000% * 0.6876% (0.44 10.00 0.02 0.02) = 0.688% HD3 LYS+ 81 - HA LYS+ 60 5.000% * 0.0975% (0.62 1.00 0.02 0.13) = 0.097% HG LEU 17 - HA LYS+ 60 5.000% * 0.0941% (0.60 1.00 0.02 0.02) = 0.094% QB ALA 42 - HA LYS+ 60 5.000% * 0.0874% (0.56 1.00 0.02 0.02) = 0.087% HG12 ILE 29 - HA LYS+ 60 5.000% * 0.0874% (0.56 1.00 0.02 0.02) = 0.087% HB3 LEU 90 - HA LYS+ 60 5.000% * 0.0814% (0.52 1.00 0.02 0.02) = 0.081% HG13 ILE 29 - HA LYS+ 60 5.000% * 0.0708% (0.45 1.00 0.02 0.02) = 0.071% HD3 LYS+ 81 - HA TRP 51 5.000% * 0.0694% (0.44 1.00 0.02 0.02) = 0.069% HG LEU 17 - HA TRP 51 5.000% * 0.0670% (0.43 1.00 0.02 0.16) = 0.067% HB ILE 19 - HA TRP 51 5.000% * 0.0656% (0.42 1.00 0.02 0.02) = 0.066% HG12 ILE 29 - HA TRP 51 5.000% * 0.0622% (0.40 1.00 0.02 8.35) = 0.062% QB ALA 42 - HA TRP 51 5.000% * 0.0622% (0.40 1.00 0.02 0.02) = 0.062% QG2 THR 24 - HA LYS+ 60 5.000% * 0.0591% (0.38 1.00 0.02 0.02) = 0.059% HB3 LEU 90 - HA TRP 51 5.000% * 0.0579% (0.37 1.00 0.02 0.02) = 0.058% HG13 ILE 29 - HA TRP 51 5.000% * 0.0504% (0.32 1.00 0.02 8.35) = 0.050% QG2 THR 24 - HA TRP 51 5.000% * 0.0421% (0.27 1.00 0.02 0.02) = 0.042% HB3 LYS+ 32 - HA LYS+ 60 5.000% * 0.0301% (0.19 1.00 0.02 0.16) = 0.030% HB3 LYS+ 32 - HA TRP 51 5.000% * 0.0214% (0.14 1.00 0.02 1.20) = 0.021% Peak 4132 (8.84, 1.57, 28.87 ppm): 8 chemical-shift based assignments, quality = 0.578, support = 4.48, residual support = 41.3: * HN LYS+ 60 - HD3 LYS+ 60 12.500% * 85.6983% (0.63 4.98 45.24) = 85.698% kept HN LYS+ 32 - HD3 LYS+ 60 12.500% * 7.3518% (0.43 0.62 0.16) = 7.352% kept HN LYS+ 32 - HD3 LYS+ 32 12.500% * 6.5503% (0.10 2.48 37.97) = 6.550% kept HN ASN 57 - HD3 LYS+ 60 12.500% * 0.1851% (0.34 0.02 0.02) = 0.185% HN ILE 68 - HD3 LYS+ 60 12.500% * 0.0788% (0.14 0.02 0.02) = 0.079% HN LYS+ 60 - HD3 LYS+ 32 12.500% * 0.0768% (0.14 0.02 0.16) = 0.077% HN ASN 57 - HD3 LYS+ 32 12.500% * 0.0413% (0.08 0.02 0.02) = 0.041% HN ILE 68 - HD3 LYS+ 32 12.500% * 0.0176% (0.03 0.02 0.02) = 0.018% Peak 4133 (4.36, 1.57, 28.87 ppm): 16 chemical-shift based assignments, quality = 0.67, support = 3.3, residual support = 39.5: * T HA LYS+ 60 - HD3 LYS+ 60 6.250% * 83.0584% (0.66 10.00 3.59 45.24) = 83.058% kept HB THR 61 - HD3 LYS+ 60 6.250% * 12.5995% (0.81 1.00 2.48 15.13) = 12.600% kept HA ALA 37 - HD3 LYS+ 60 6.250% * 1.5200% (0.57 1.00 0.43 0.02) = 1.520% kept HA2 GLY 26 - HD3 LYS+ 60 6.250% * 1.4526% (0.82 1.00 0.28 0.02) = 1.453% kept T HA TRP 51 - HD3 LYS+ 60 6.250% * 0.8664% (0.69 10.00 0.02 0.02) = 0.866% HA SER 27 - HD3 LYS+ 60 6.250% * 0.2972% (0.53 1.00 0.09 0.02) = 0.297% HA ALA 91 - HD3 LYS+ 60 6.250% * 0.0426% (0.34 1.00 0.02 0.02) = 0.043% HA SER 88 - HD3 LYS+ 60 6.250% * 0.0320% (0.25 1.00 0.02 0.02) = 0.032% HA2 GLY 26 - HD3 LYS+ 32 6.250% * 0.0231% (0.18 1.00 0.02 0.02) = 0.023% HB THR 61 - HD3 LYS+ 32 6.250% * 0.0227% (0.18 1.00 0.02 0.40) = 0.023% HA TRP 51 - HD3 LYS+ 32 6.250% * 0.0193% (0.15 1.00 0.02 1.20) = 0.019% HA LYS+ 60 - HD3 LYS+ 32 6.250% * 0.0185% (0.15 1.00 0.02 0.16) = 0.019% HA ALA 37 - HD3 LYS+ 32 6.250% * 0.0159% (0.13 1.00 0.02 0.02) = 0.016% HA SER 27 - HD3 LYS+ 32 6.250% * 0.0150% (0.12 1.00 0.02 0.02) = 0.015% HA ALA 91 - HD3 LYS+ 32 6.250% * 0.0095% (0.08 1.00 0.02 0.02) = 0.010% HA SER 88 - HD3 LYS+ 32 6.250% * 0.0071% (0.06 1.00 0.02 0.02) = 0.007% Peak 4134 (2.36, 2.36, 31.85 ppm): 1 diagonal assignment: * HB2 GLU- 64 - HB2 GLU- 64 (0.99) kept Peak 4135 (7.42, 2.36, 31.85 ppm): 4 chemical-shift based assignments, quality = 0.404, support = 4.28, residual support = 49.9: O HN GLU- 64 - HB2 GLU- 64 25.000% * 87.0643% (0.34 10.0 4.74 57.09) = 87.064% kept HN THR 61 - HB2 GLU- 64 25.000% * 12.9147% (0.83 1.0 1.21 1.68) = 12.915% kept HN THR 61 - HB3 PRO 86 25.000% * 0.0149% (0.06 1.0 0.02 0.02) = 0.015% HN GLU- 64 - HB3 PRO 86 25.000% * 0.0061% (0.02 1.0 0.02 0.02) = 0.006% Reference assignment not found: HN GLU- 64 - HB3 GLU- 64 Peak 4136 (4.25, 2.03, 31.82 ppm): 42 chemical-shift based assignments, quality = 0.583, support = 4.24, residual support = 43.6: * O HA GLU- 64 - HB3 GLU- 64 2.381% * 64.2360% (0.72 10.0 5.23 57.09) = 64.236% kept O HA GLU- 75 - HB3 GLU- 75 2.381% * 28.7297% (0.32 10.0 2.97 24.11) = 28.730% kept HA PRO 59 - HB3 GLU- 64 2.381% * 1.8725% (0.91 1.0 0.46 0.02) = 1.873% kept HA ASN 76 - HB3 GLU- 75 2.381% * 1.7808% (0.42 1.0 0.96 0.02) = 1.781% kept HA ALA 11 - HB3 GLU- 75 2.381% * 1.0123% (0.42 1.0 0.54 0.02) = 1.012% kept HA GLU- 56 - HB3 GLU- 75 2.381% * 0.5201% (0.24 1.0 0.49 0.02) = 0.520% HA GLU- 10 - HB3 GLU- 75 2.381% * 0.3175% (0.29 1.0 0.25 0.02) = 0.318% HA LEU 90 - HB3 GLU- 75 2.381% * 0.1662% (0.06 1.0 0.65 0.39) = 0.166% HB3 SER 49 - HB3 GLU- 75 2.381% * 0.1537% (0.13 1.0 0.26 0.02) = 0.154% HA ALA 11 - HB3 GLU- 64 2.381% * 0.0885% (0.99 1.0 0.02 0.02) = 0.088% HA ASN 76 - HB3 GLU- 64 2.381% * 0.0877% (0.98 1.0 0.02 0.02) = 0.088% HA GLU- 107 - HB3 GLU- 64 2.381% * 0.0867% (0.97 1.0 0.02 0.02) = 0.087% HA ASN 119 - HB3 GLU- 64 2.381% * 0.0867% (0.97 1.0 0.02 0.02) = 0.087% HA GLU- 75 - HB3 GLU- 64 2.381% * 0.0676% (0.76 1.0 0.02 0.02) = 0.068% HA GLU- 54 - HB3 GLU- 64 2.381% * 0.0608% (0.68 1.0 0.02 0.02) = 0.061% HA GLU- 10 - HB3 GLU- 64 2.381% * 0.0608% (0.68 1.0 0.02 0.02) = 0.061% HA LYS+ 108 - HB3 GLU- 64 2.381% * 0.0608% (0.68 1.0 0.02 0.02) = 0.061% HA GLU- 56 - HB3 GLU- 64 2.381% * 0.0501% (0.56 1.0 0.02 0.02) = 0.050% HA ALA 42 - HB3 GLU- 64 2.381% * 0.0431% (0.48 1.0 0.02 0.02) = 0.043% HA ASN 119 - HB3 GLU- 75 2.381% * 0.0368% (0.41 1.0 0.02 0.02) = 0.037% HA GLU- 107 - HB3 GLU- 75 2.381% * 0.0368% (0.41 1.0 0.02 0.02) = 0.037% HA SER 49 - HB3 GLU- 64 2.381% * 0.0364% (0.41 1.0 0.02 0.82) = 0.036% HA PRO 59 - HB3 GLU- 75 2.381% * 0.0347% (0.39 1.0 0.02 0.22) = 0.035% HA SER 85 - HB3 GLU- 64 2.381% * 0.0302% (0.34 1.0 0.02 0.02) = 0.030% HA ARG+ 84 - HB3 GLU- 64 2.381% * 0.0302% (0.34 1.0 0.02 0.02) = 0.030% HA PRO 52 - HB3 GLU- 64 2.381% * 0.0302% (0.34 1.0 0.02 0.02) = 0.030% HB3 SER 49 - HB3 GLU- 64 2.381% * 0.0276% (0.31 1.0 0.02 0.82) = 0.028% HA VAL 94 - HB3 GLU- 64 2.381% * 0.0273% (0.31 1.0 0.02 0.02) = 0.027% HA GLU- 64 - HB3 GLU- 75 2.381% * 0.0273% (0.31 1.0 0.02 0.02) = 0.027% HA GLU- 54 - HB3 GLU- 75 2.381% * 0.0258% (0.29 1.0 0.02 0.02) = 0.026% HA LYS+ 108 - HB3 GLU- 75 2.381% * 0.0258% (0.29 1.0 0.02 0.02) = 0.026% HA GLU- 109 - HB3 GLU- 64 2.381% * 0.0221% (0.25 1.0 0.02 0.02) = 0.022% HA ALA 42 - HB3 GLU- 75 2.381% * 0.0183% (0.20 1.0 0.02 0.02) = 0.018% HA VAL 122 - HB3 GLU- 64 2.381% * 0.0155% (0.17 1.0 0.02 0.02) = 0.015% HA SER 49 - HB3 GLU- 75 2.381% * 0.0155% (0.17 1.0 0.02 0.02) = 0.015% HA SER 85 - HB3 GLU- 75 2.381% * 0.0128% (0.14 1.0 0.02 0.02) = 0.013% HA ARG+ 84 - HB3 GLU- 75 2.381% * 0.0128% (0.14 1.0 0.02 0.02) = 0.013% HA PRO 52 - HB3 GLU- 75 2.381% * 0.0128% (0.14 1.0 0.02 0.02) = 0.013% HA LEU 90 - HB3 GLU- 64 2.381% * 0.0120% (0.13 1.0 0.02 0.02) = 0.012% HA VAL 94 - HB3 GLU- 75 2.381% * 0.0116% (0.13 1.0 0.02 0.02) = 0.012% HA GLU- 109 - HB3 GLU- 75 2.381% * 0.0094% (0.10 1.0 0.02 0.02) = 0.009% HA VAL 122 - HB3 GLU- 75 2.381% * 0.0066% (0.07 1.0 0.02 0.02) = 0.007% Peak 4137 (2.02, 2.02, 31.82 ppm): 2 diagonal assignments: * HB3 GLU- 64 - HB3 GLU- 64 (0.99) kept HB3 GLU- 75 - HB3 GLU- 75 (0.19) kept Peak 4138 (0.70, 0.70, 21.19 ppm): 2 diagonal assignments: * QG1 VAL 65 - QG1 VAL 65 (1.00) kept QG2 THR 96 - QG2 THR 96 (0.31) kept Peak 4139 (2.28, 3.52, 61.26 ppm): 10 chemical-shift based assignments, quality = 0.829, support = 3.34, residual support = 52.7: * O HB2 LYS+ 44 - HA LYS+ 44 10.000% * 93.3009% (0.83 10.0 3.53 56.31) = 93.301% kept HG3 GLU- 75 - HA LYS+ 44 10.000% * 4.3193% (0.86 1.0 0.90 3.27) = 4.319% kept HG2 PRO 112 - HA LYS+ 44 10.000% * 1.9375% (0.92 1.0 0.37 0.27) = 1.937% kept HB3 PRO 112 - HA LYS+ 44 10.000% * 0.1056% (0.94 1.0 0.02 0.27) = 0.106% HB3 LYS+ 117 - HA LYS+ 44 10.000% * 0.0965% (0.86 1.0 0.02 0.02) = 0.096% HB VAL 80 - HA LYS+ 44 10.000% * 0.0898% (0.80 1.0 0.02 0.12) = 0.090% HG3 GLU- 54 - HA LYS+ 44 10.000% * 0.0524% (0.47 1.0 0.02 0.02) = 0.052% HG3 GLU- 107 - HA LYS+ 44 10.000% * 0.0442% (0.39 1.0 0.02 0.02) = 0.044% HB3 PRO 116 - HA LYS+ 44 10.000% * 0.0299% (0.27 1.0 0.02 0.02) = 0.030% HG2 GLU- 64 - HA LYS+ 44 10.000% * 0.0239% (0.21 1.0 0.02 0.02) = 0.024% Peak 4140 (3.48, 2.28, 33.13 ppm): 4 chemical-shift based assignments, quality = 0.431, support = 0.652, residual support = 0.17: T HA VAL 80 - HB2 LYS+ 44 25.000% * 45.6735% (0.12 10.00 0.61 0.12) = 45.673% kept HA1 GLY 30 - HB2 LYS+ 44 25.000% * 39.6155% (0.80 1.00 0.82 0.11) = 39.615% kept HA1 GLY 71 - HB2 LYS+ 44 25.000% * 7.4735% (0.45 1.00 0.28 0.02) = 7.473% kept HD3 PRO 31 - HB2 LYS+ 44 25.000% * 7.2376% (0.31 1.00 0.38 0.98) = 7.238% kept Reference assignment not found: HA LYS+ 44 - HB2 LYS+ 44 Peak 4141 (2.28, 2.28, 33.13 ppm): 1 diagonal assignment: * HB2 LYS+ 44 - HB2 LYS+ 44 (0.77) kept Peak 4142 (7.92, 1.49, 33.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN LYS+ 44 - HB3 LYS+ 44 Peak unassigned. Peak 4143 (0.74, 1.49, 33.13 ppm): 8 chemical-shift based assignments, quality = 0.861, support = 3.2, residual support = 54.1: * O HG3 LYS+ 44 - HB3 LYS+ 44 12.500% * 96.0618% (0.88 10.0 3.30 56.31) = 96.062% kept QG2 ILE 48 - HB3 LYS+ 44 12.500% * 2.6302% (0.49 1.0 0.98 0.51) = 2.630% kept QG2 VAL 65 - HB3 LYS+ 44 12.500% * 0.9871% (0.79 1.0 0.23 0.02) = 0.987% HG3 LYS+ 66 - HB3 LYS+ 44 12.500% * 0.0961% (0.88 1.0 0.02 0.24) = 0.096% QD1 ILE 68 - HB3 LYS+ 44 12.500% * 0.0802% (0.74 1.0 0.02 0.17) = 0.080% QG1 VAL 40 - HB3 LYS+ 44 12.500% * 0.0769% (0.71 1.0 0.02 0.30) = 0.077% HG LEU 74 - HB3 LYS+ 44 12.500% * 0.0361% (0.33 1.0 0.02 0.61) = 0.036% QG2 ILE 101 - HB3 LYS+ 44 12.500% * 0.0316% (0.29 1.0 0.02 0.02) = 0.032% Peak 4144 (3.50, 1.49, 33.13 ppm): 3 chemical-shift based assignments, quality = 0.225, support = 3.83, residual support = 53.0: * O T HA LYS+ 44 - HB3 LYS+ 44 33.333% * 94.0518% (0.20 10.0 10.00 4.05 56.31) = 94.052% kept HA1 GLY 30 - HB3 LYS+ 44 33.333% * 5.8911% (0.67 1.0 1.00 0.36 0.11) = 5.891% kept HA1 GLY 26 - HB3 LYS+ 44 33.333% * 0.0572% (0.12 1.0 1.00 0.02 0.02) = 0.057% Peak 4145 (1.47, 2.28, 33.13 ppm): 7 chemical-shift based assignments, quality = 0.767, support = 3.37, residual support = 55.3: * O HB3 LYS+ 44 - HB2 LYS+ 44 14.286% * 98.1642% (0.77 10.0 3.42 56.31) = 98.164% kept QB ALA 70 - HB2 LYS+ 44 14.286% * 1.4241% (0.74 1.0 0.30 0.02) = 1.424% kept HB3 LEU 67 - HB2 LYS+ 44 14.286% * 0.1112% (0.87 1.0 0.02 0.80) = 0.111% HG3 PRO 52 - HB2 LYS+ 44 14.286% * 0.1054% (0.83 1.0 0.02 0.02) = 0.105% HG13 ILE 48 - HB2 LYS+ 44 14.286% * 0.0807% (0.63 1.0 0.02 0.51) = 0.081% HG2 PRO 59 - HB2 LYS+ 44 14.286% * 0.0572% (0.45 1.0 0.02 0.02) = 0.057% HG3 LYS+ 60 - HB2 LYS+ 44 14.286% * 0.0572% (0.45 1.0 0.02 0.02) = 0.057% Peak 4146 (0.74, 2.28, 33.13 ppm): 8 chemical-shift based assignments, quality = 0.915, support = 3.18, residual support = 55.8: * O HG3 LYS+ 44 - HB2 LYS+ 44 12.500% * 99.0777% (0.92 10.0 3.21 56.31) = 99.078% kept QG2 ILE 48 - HB2 LYS+ 44 12.500% * 0.5025% (0.52 1.0 0.18 0.51) = 0.502% HG3 LYS+ 66 - HB2 LYS+ 44 12.500% * 0.0991% (0.92 1.0 0.02 0.24) = 0.099% QG2 VAL 65 - HB2 LYS+ 44 12.500% * 0.0889% (0.83 1.0 0.02 0.02) = 0.089% QD1 ILE 68 - HB2 LYS+ 44 12.500% * 0.0828% (0.77 1.0 0.02 0.17) = 0.083% QG1 VAL 40 - HB2 LYS+ 44 12.500% * 0.0793% (0.74 1.0 0.02 0.30) = 0.079% HG LEU 74 - HB2 LYS+ 44 12.500% * 0.0372% (0.35 1.0 0.02 0.61) = 0.037% QG2 ILE 101 - HB2 LYS+ 44 12.500% * 0.0326% (0.30 1.0 0.02 0.02) = 0.033% Peak 4147 (1.47, 2.15, 31.04 ppm): 21 chemical-shift based assignments, quality = 0.612, support = 2.5, residual support = 18.6: HG13 ILE 48 - HB VAL 47 4.762% * 43.0027% (0.65 4.21 33.51) = 43.003% kept * HB3 LYS+ 44 - HB VAL 47 4.762% * 17.7712% (0.79 1.43 20.97) = 17.771% kept HB3 LYS+ 44 - HB3 GLU- 75 4.762% * 12.5415% (0.50 1.61 3.27) = 12.542% kept HB3 LEU 67 - HB3 GLU- 75 4.762% * 12.4008% (0.57 1.41 0.26) = 12.401% kept HG3 LYS+ 60 - HB3 GLU- 75 4.762% * 3.4424% (0.29 0.76 0.18) = 3.442% kept QB ALA 70 - HB3 GLU- 75 4.762% * 2.8145% (0.48 0.38 0.02) = 2.814% kept HG2 PRO 59 - HB3 GLU- 75 4.762% * 2.2744% (0.29 0.50 0.22) = 2.274% kept HG13 ILE 48 - HB3 GLU- 75 4.762% * 1.7885% (0.41 0.28 0.02) = 1.788% kept HG3 PRO 52 - HB VAL 47 4.762% * 1.3875% (0.85 0.10 0.02) = 1.388% kept HG3 PRO 52 - HB3 GLU- 75 4.762% * 1.3844% (0.54 0.17 0.02) = 1.384% kept HB3 LEU 67 - HB VAL 47 4.762% * 0.2810% (0.90 0.02 0.45) = 0.281% QB ALA 70 - HB VAL 47 4.762% * 0.2379% (0.76 0.02 0.02) = 0.238% HG3 LYS+ 60 - HB VAL 47 4.762% * 0.1446% (0.46 0.02 0.02) = 0.145% HG2 PRO 59 - HB VAL 47 4.762% * 0.1446% (0.46 0.02 0.02) = 0.145% HB3 LEU 67 - HB2 GLU- 56 4.762% * 0.0707% (0.23 0.02 0.02) = 0.071% HG3 PRO 52 - HB2 GLU- 56 4.762% * 0.0670% (0.21 0.02 0.02) = 0.067% HB3 LYS+ 44 - HB2 GLU- 56 4.762% * 0.0624% (0.20 0.02 0.02) = 0.062% QB ALA 70 - HB2 GLU- 56 4.762% * 0.0598% (0.19 0.02 0.02) = 0.060% HG13 ILE 48 - HB2 GLU- 56 4.762% * 0.0513% (0.16 0.02 0.02) = 0.051% HG2 PRO 59 - HB2 GLU- 56 4.762% * 0.0364% (0.12 0.02 0.02) = 0.036% HG3 LYS+ 60 - HB2 GLU- 56 4.762% * 0.0364% (0.12 0.02 0.02) = 0.036% Peak 4148 (0.74, 0.73, 23.14 ppm): 2 diagonal assignments: * HG3 LYS+ 44 - HG3 LYS+ 44 (0.92) kept QG2 VAL 65 - QG2 VAL 65 (0.89) kept Peak 4149 (0.81, 0.81, 27.87 ppm): 1 diagonal assignment: QD2 LEU 67 - QD2 LEU 67 (0.92) kept Reference assignment not found: HD3 LYS+ 44 - HD3 LYS+ 44 Peak 4150 (1.48, 0.81, 27.87 ppm): 9 chemical-shift based assignments, quality = 0.823, support = 3.47, residual support = 94.7: O T HB3 LEU 67 - QD2 LEU 67 11.111% * 82.3502% (0.83 10.0 10.00 4.11 114.96) = 82.350% kept T HG3 PRO 52 - QD2 LEU 67 11.111% * 13.3487% (0.76 1.0 10.00 0.35 0.14) = 13.349% kept HB3 LYS+ 44 - QD2 LEU 67 11.111% * 4.0537% (0.94 1.0 1.00 0.87 0.80) = 4.054% kept QB ALA 70 - QD2 LEU 67 11.111% * 0.0910% (0.92 1.0 1.00 0.02 0.02) = 0.091% HG13 ILE 48 - QD2 LEU 67 11.111% * 0.0519% (0.52 1.0 1.00 0.02 0.17) = 0.052% HG2 PRO 59 - QD2 LEU 67 11.111% * 0.0336% (0.34 1.0 1.00 0.02 0.80) = 0.034% HG3 LYS+ 60 - QD2 LEU 67 11.111% * 0.0336% (0.34 1.0 1.00 0.02 0.02) = 0.034% HD3 LYS+ 108 - QD2 LEU 67 11.111% * 0.0219% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB2 LYS+ 72 - QD2 LEU 67 11.111% * 0.0152% (0.15 1.0 1.00 0.02 0.21) = 0.015% Reference assignment not found: HB3 LYS+ 44 - HD3 LYS+ 44 Peak 4151 (0.93, 4.23, 55.11 ppm): 14 chemical-shift based assignments, quality = 0.162, support = 0.492, residual support = 0.115: QG2 VAL 80 - HA ALA 42 7.143% * 31.3542% (0.21 0.57 0.02) = 31.354% kept HG3 LYS+ 110 - HA ALA 42 7.143% * 30.2879% (0.22 0.53 0.34) = 30.288% kept QG2 VAL 40 - HA ALA 42 7.143% * 9.0534% (0.04 0.79 0.02) = 9.053% kept QD1 LEU 67 - HA ALA 42 7.143% * 8.6051% (0.07 0.48 0.02) = 8.605% kept HG3 LYS+ 117 - HA ALA 42 7.143% * 7.4779% (0.08 0.34 0.02) = 7.478% kept HG12 ILE 68 - HA ALA 42 7.143% * 4.8090% (0.22 0.08 0.02) = 4.809% kept QG1 VAL 47 - HA ALA 42 7.143% * 3.7790% (0.05 0.26 0.02) = 3.779% kept QG2 VAL 105 - HA ALA 42 7.143% * 1.0387% (0.20 0.02 0.02) = 1.039% kept QD1 LEU 17 - HA ALA 42 7.143% * 1.0046% (0.19 0.02 0.02) = 1.005% kept QG1 VAL 105 - HA ALA 42 7.143% * 0.9674% (0.18 0.02 0.02) = 0.967% QG2 VAL 62 - HA ALA 42 7.143% * 0.5637% (0.11 0.02 0.02) = 0.564% QG2 VAL 73 - HA ALA 42 7.143% * 0.4347% (0.08 0.02 0.02) = 0.435% QG2 ILE 29 - HA ALA 42 7.143% * 0.3951% (0.07 0.02 0.02) = 0.395% QG2 VAL 87 - HA ALA 42 7.143% * 0.2292% (0.04 0.02 0.02) = 0.229% Not enough quality. Peak unassigned. Peak 4152 (2.22, 4.23, 55.13 ppm): 14 chemical-shift based assignments, quality = 0.18, support = 0.744, residual support = 3.14: * T HB3 GLU- 45 - HA ALA 42 7.143% * 89.7771% (0.18 10.00 0.83 3.50) = 89.777% kept T HG3 GLU- 109 - HA ALA 42 7.143% * 3.1344% (0.26 10.00 0.02 0.02) = 3.134% kept T HB2 GLU- 50 - HA ALA 42 7.143% * 2.9192% (0.24 10.00 0.02 0.02) = 2.919% kept T HG3 GLU- 10 - HA ALA 42 7.143% * 1.7904% (0.15 10.00 0.02 0.02) = 1.790% kept HG2 PRO 112 - HA ALA 42 7.143% * 0.3162% (0.26 1.00 0.02 0.02) = 0.316% HG3 GLN 102 - HA ALA 42 7.143% * 0.3155% (0.26 1.00 0.02 0.02) = 0.316% HB2 PRO 52 - HA ALA 42 7.143% * 0.3134% (0.26 1.00 0.02 0.02) = 0.313% HG3 GLU- 18 - HA ALA 42 7.143% * 0.3052% (0.25 1.00 0.02 0.02) = 0.305% HG3 MET 97 - HA ALA 42 7.143% * 0.2641% (0.22 1.00 0.02 0.02) = 0.264% HA1 GLY 58 - HA ALA 42 7.143% * 0.2641% (0.22 1.00 0.02 0.02) = 0.264% HG3 MET 126 - HA ALA 42 7.143% * 0.2296% (0.19 1.00 0.02 0.02) = 0.230% HG3 GLN 16 - HA ALA 42 7.143% * 0.1918% (0.16 1.00 0.02 0.02) = 0.192% HB3 ASN 15 - HA ALA 42 7.143% * 0.1300% (0.11 1.00 0.02 0.02) = 0.130% HG2 MET 126 - HA ALA 42 7.143% * 0.0488% (0.04 1.00 0.02 0.02) = 0.049% Not enough quality. Peak unassigned. Peak 4153 (1.17, 1.16, 41.76 ppm): 2 diagonal assignments: * HB2 LEU 43 - HB2 LEU 43 (0.87) kept HB2 LEU 74 - HB2 LEU 74 (0.46) kept Peak 4154 (1.16, 1.62, 25.80 ppm): 5 chemical-shift based assignments, quality = 0.694, support = 4.93, residual support = 178.3: * O T HB2 LEU 43 - HG LEU 43 20.000% * 99.1290% (0.70 10.0 10.00 4.97 179.85) = 99.129% kept T HB2 LEU 74 - HG LEU 43 20.000% * 0.6230% (0.44 1.0 10.00 0.02 1.31) = 0.623% HG3 PRO 59 - HG LEU 43 20.000% * 0.1018% (0.72 1.0 1.00 0.02 0.02) = 0.102% QG2 THR 106 - HG LEU 43 20.000% * 0.0921% (0.65 1.0 1.00 0.02 0.02) = 0.092% QB ALA 33 - HG LEU 43 20.000% * 0.0540% (0.38 1.0 1.00 0.02 0.02) = 0.054% Peak 4155 (8.99, 1.76, 31.52 ppm): 2 chemical-shift based assignments, quality = 0.1, support = 4.34, residual support = 23.4: * HN ILE 19 - HB3 GLU- 18 50.000% * 92.8917% (0.10 4.60 25.23) = 92.892% kept HN MET 97 - HB3 GLU- 18 50.000% * 7.1083% (0.04 0.90 0.02) = 7.108% kept Peak 4156 (1.40, 1.40, 25.25 ppm): 14 chemical-shift based assignments, quality = 0.0183, support = 0.957, residual support = 1.64: O HD3 LYS+ 113 - HG3 LYS+ 113 7.143% * 84.1435% (0.02 10.0 1.00 1.85) = 84.144% kept HG3 LYS+ 55 - HG3 LYS+ 113 7.143% * 9.2526% (0.02 1.0 1.25 0.89) = 9.253% kept QB ALA 93 - HG3 LYS+ 113 7.143% * 0.9419% (0.11 1.0 0.02 0.02) = 0.942% HG13 ILE 100 - HG3 LYS+ 113 7.143% * 0.9419% (0.11 1.0 0.02 0.02) = 0.942% HG LEU 67 - HG3 LYS+ 113 7.143% * 0.9274% (0.11 1.0 0.02 0.02) = 0.927% HD3 LYS+ 20 - HG3 LYS+ 113 7.143% * 0.8870% (0.10 1.0 0.02 0.02) = 0.887% QB ALA 37 - HG3 LYS+ 113 7.143% * 0.8026% (0.09 1.0 0.02 0.02) = 0.803% HG13 ILE 68 - HG3 LYS+ 113 7.143% * 0.5056% (0.06 1.0 0.02 0.02) = 0.506% HD3 LYS+ 44 - HG3 LYS+ 113 7.143% * 0.3950% (0.05 1.0 0.02 0.02) = 0.395% QG2 THR 39 - HG3 LYS+ 113 7.143% * 0.3278% (0.04 1.0 0.02 0.02) = 0.328% QB ALA 91 - HG3 LYS+ 113 7.143% * 0.2966% (0.03 1.0 0.02 0.02) = 0.297% QG2 THR 38 - HG3 LYS+ 113 7.143% * 0.2396% (0.03 1.0 0.02 0.02) = 0.240% HG2 LYS+ 78 - HG3 LYS+ 113 7.143% * 0.1902% (0.02 1.0 0.02 0.02) = 0.190% HG3 ARG+ 22 - HG3 LYS+ 113 7.143% * 0.1483% (0.02 1.0 0.02 0.02) = 0.148% Reference assignment not found: HG3 LYS+ 55 - HG3 LYS+ 55 Not enough quality. Peak unassigned. Peak 4159 (4.25, 1.98, 30.81 ppm): 105 chemical-shift based assignments, quality = 0.517, support = 3.25, residual support = 25.3: * O HA GLU- 56 - HB3 GLU- 56 0.952% * 72.2390% (0.66 10.0 3.65 28.94) = 72.239% kept O HA GLU- 75 - HB2 GLU- 75 0.952% * 16.2691% (0.15 10.0 2.81 24.11) = 16.269% kept O HA GLU- 109 - HB3 GLU- 109 0.952% * 4.5156% (0.05 10.0 1.55 6.66) = 4.516% kept HA VAL 94 - HB3 GLU- 56 0.952% * 2.9784% (0.39 1.0 1.38 1.53) = 2.978% kept HA LYS+ 108 - HB3 GLU- 109 0.952% * 2.0588% (0.17 1.0 2.18 4.61) = 2.059% kept HA ASN 119 - HB3 GLU- 56 0.952% * 0.1052% (0.96 1.0 0.02 0.02) = 0.105% HA GLU- 107 - HB3 GLU- 56 0.952% * 0.1052% (0.96 1.0 0.02 0.02) = 0.105% HA ASN 76 - HB3 GLU- 56 0.952% * 0.1049% (0.96 1.0 0.02 0.02) = 0.105% HA ALA 11 - HB3 GLU- 56 0.952% * 0.1031% (0.94 1.0 0.02 0.02) = 0.103% HA GLU- 75 - HB3 GLU- 56 0.952% * 0.0912% (0.83 1.0 0.02 0.02) = 0.091% HA PRO 59 - HB3 GLU- 56 0.952% * 0.0878% (0.80 1.0 0.02 0.02) = 0.088% HA GLU- 64 - HB3 GLU- 56 0.952% * 0.0878% (0.80 1.0 0.02 0.02) = 0.088% HA GLU- 10 - HB3 GLU- 56 0.952% * 0.0595% (0.54 1.0 0.02 0.02) = 0.060% HA LYS+ 108 - HB3 GLU- 56 0.952% * 0.0595% (0.54 1.0 0.02 0.02) = 0.060% HA GLU- 54 - HB3 GLU- 56 0.952% * 0.0595% (0.54 1.0 0.02 0.02) = 0.060% HA SER 85 - HB3 GLU- 56 0.952% * 0.0471% (0.43 1.0 0.02 0.02) = 0.047% HA ARG+ 84 - HB3 GLU- 56 0.952% * 0.0471% (0.43 1.0 0.02 0.02) = 0.047% HA PRO 52 - HB3 GLU- 56 0.952% * 0.0471% (0.43 1.0 0.02 0.02) = 0.047% HA ALA 42 - HB3 GLU- 56 0.952% * 0.0395% (0.36 1.0 0.02 0.02) = 0.039% HA GLU- 107 - HB3 GLU- 109 0.952% * 0.0334% (0.30 1.0 0.02 0.02) = 0.033% HA ASN 119 - HB3 GLU- 109 0.952% * 0.0334% (0.30 1.0 0.02 0.02) = 0.033% HA ASN 76 - HB3 GLU- 109 0.952% * 0.0333% (0.30 1.0 0.02 0.02) = 0.033% HA ALA 11 - HB3 GLU- 109 0.952% * 0.0327% (0.30 1.0 0.02 0.02) = 0.033% HA SER 49 - HB3 GLU- 56 0.952% * 0.0325% (0.30 1.0 0.02 0.02) = 0.032% HB3 SER 49 - HB3 GLU- 56 0.952% * 0.0306% (0.28 1.0 0.02 0.02) = 0.031% HA GLU- 75 - HB3 GLU- 109 0.952% * 0.0290% (0.26 1.0 0.02 0.02) = 0.029% HA PRO 59 - HB3 GLU- 109 0.952% * 0.0279% (0.25 1.0 0.02 0.02) = 0.028% HA GLU- 64 - HB3 GLU- 109 0.952% * 0.0279% (0.25 1.0 0.02 0.02) = 0.028% HA VAL 122 - HB3 GLU- 56 0.952% * 0.0262% (0.24 1.0 0.02 0.02) = 0.026% HA GLU- 56 - HB3 GLU- 109 0.952% * 0.0229% (0.21 1.0 0.02 0.02) = 0.023% HA LEU 90 - HB3 GLU- 56 0.952% * 0.0208% (0.19 1.0 0.02 0.02) = 0.021% HA GLU- 54 - HB3 GLU- 109 0.952% * 0.0189% (0.17 1.0 0.02 0.02) = 0.019% HA GLU- 10 - HB3 GLU- 109 0.952% * 0.0189% (0.17 1.0 0.02 0.02) = 0.019% HA ASN 119 - HB2 GLU- 75 0.952% * 0.0188% (0.17 1.0 0.02 0.02) = 0.019% HA GLU- 107 - HB2 GLU- 75 0.952% * 0.0188% (0.17 1.0 0.02 0.02) = 0.019% HA ASN 76 - HB2 GLU- 75 0.952% * 0.0187% (0.17 1.0 0.02 0.02) = 0.019% HA GLU- 109 - HB3 GLU- 56 0.952% * 0.0184% (0.17 1.0 0.02 0.02) = 0.018% HA ALA 11 - HB2 GLU- 75 0.952% * 0.0184% (0.17 1.0 0.02 0.02) = 0.018% HA PRO 59 - HB2 GLU- 75 0.952% * 0.0157% (0.14 1.0 0.02 0.22) = 0.016% HA GLU- 64 - HB2 GLU- 75 0.952% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% HA SER 85 - HB3 GLU- 109 0.952% * 0.0150% (0.14 1.0 0.02 0.02) = 0.015% HA ARG+ 84 - HB3 GLU- 109 0.952% * 0.0150% (0.14 1.0 0.02 0.02) = 0.015% HA PRO 52 - HB3 GLU- 109 0.952% * 0.0150% (0.14 1.0 0.02 0.02) = 0.015% HA VAL 94 - HB3 GLU- 109 0.952% * 0.0137% (0.12 1.0 0.02 0.02) = 0.014% HA GLU- 56 - HB2 GLU- 75 0.952% * 0.0129% (0.12 1.0 0.02 0.02) = 0.013% HA ALA 42 - HB3 GLU- 109 0.952% * 0.0125% (0.11 1.0 0.02 0.02) = 0.013% HA GLU- 10 - HB2 GLU- 75 0.952% * 0.0106% (0.10 1.0 0.02 0.02) = 0.011% HA LYS+ 108 - HB2 GLU- 75 0.952% * 0.0106% (0.10 1.0 0.02 0.02) = 0.011% HA GLU- 54 - HB2 GLU- 75 0.952% * 0.0106% (0.10 1.0 0.02 0.02) = 0.011% HA SER 49 - HB3 GLU- 109 0.952% * 0.0103% (0.09 1.0 0.02 0.02) = 0.010% HB3 SER 49 - HB3 GLU- 109 0.952% * 0.0097% (0.09 1.0 0.02 0.02) = 0.010% HA ASN 119 - HB2 HIS+ 14 0.952% * 0.0096% (0.09 1.0 0.02 0.02) = 0.010% HA GLU- 107 - HB2 HIS+ 14 0.952% * 0.0096% (0.09 1.0 0.02 0.02) = 0.010% HA ASN 76 - HB2 HIS+ 14 0.952% * 0.0095% (0.09 1.0 0.02 0.02) = 0.010% HA ALA 11 - HB2 HIS+ 14 0.952% * 0.0094% (0.09 1.0 0.02 0.02) = 0.009% HA ARG+ 84 - HB2 GLU- 75 0.952% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% HA PRO 52 - HB2 GLU- 75 0.952% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% HA SER 85 - HB2 GLU- 75 0.952% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% HA VAL 122 - HB3 GLU- 109 0.952% * 0.0083% (0.08 1.0 0.02 0.02) = 0.008% HA GLU- 75 - HB2 HIS+ 14 0.952% * 0.0083% (0.08 1.0 0.02 0.13) = 0.008% HA PRO 59 - HB2 HIS+ 14 0.952% * 0.0080% (0.07 1.0 0.02 0.02) = 0.008% HA GLU- 64 - HB2 HIS+ 14 0.952% * 0.0080% (0.07 1.0 0.02 0.02) = 0.008% HA VAL 94 - HB2 GLU- 75 0.952% * 0.0077% (0.07 1.0 0.02 0.02) = 0.008% HA ALA 42 - HB2 GLU- 75 0.952% * 0.0070% (0.06 1.0 0.02 0.02) = 0.007% HA LEU 90 - HB3 GLU- 109 0.952% * 0.0066% (0.06 1.0 0.02 0.02) = 0.007% HA GLU- 56 - HB2 HIS+ 14 0.952% * 0.0066% (0.06 1.0 0.02 0.02) = 0.007% HA SER 49 - HB2 GLU- 75 0.952% * 0.0058% (0.05 1.0 0.02 0.02) = 0.006% HB3 SER 49 - HB2 GLU- 75 0.952% * 0.0055% (0.05 1.0 0.02 0.02) = 0.005% HA LYS+ 108 - HB2 HIS+ 14 0.952% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% HA GLU- 54 - HB2 HIS+ 14 0.952% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% HA GLU- 10 - HB2 HIS+ 14 0.952% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% HA VAL 122 - HB2 GLU- 75 0.952% * 0.0047% (0.04 1.0 0.02 0.02) = 0.005% HA SER 85 - HB2 HIS+ 14 0.952% * 0.0043% (0.04 1.0 0.02 0.02) = 0.004% HA PRO 52 - HB2 HIS+ 14 0.952% * 0.0043% (0.04 1.0 0.02 0.02) = 0.004% HA ARG+ 84 - HB2 HIS+ 14 0.952% * 0.0043% (0.04 1.0 0.02 0.02) = 0.004% HA GLU- 107 - HB2 GLU- 18 0.952% * 0.0041% (0.04 1.0 0.02 0.02) = 0.004% HA ASN 119 - HB2 GLU- 18 0.952% * 0.0041% (0.04 1.0 0.02 0.02) = 0.004% HA ASN 76 - HB2 GLU- 18 0.952% * 0.0041% (0.04 1.0 0.02 0.02) = 0.004% HA ALA 11 - HB2 GLU- 18 0.952% * 0.0041% (0.04 1.0 0.02 0.02) = 0.004% HA VAL 94 - HB2 HIS+ 14 0.952% * 0.0039% (0.04 1.0 0.02 0.02) = 0.004% HA LEU 90 - HB2 GLU- 75 0.952% * 0.0037% (0.03 1.0 0.02 0.39) = 0.004% HA GLU- 75 - HB2 GLU- 18 0.952% * 0.0036% (0.03 1.0 0.02 0.02) = 0.004% HA ALA 42 - HB2 HIS+ 14 0.952% * 0.0036% (0.03 1.0 0.02 0.02) = 0.004% HA PRO 59 - HB2 GLU- 18 0.952% * 0.0035% (0.03 1.0 0.02 0.02) = 0.003% HA GLU- 64 - HB2 GLU- 18 0.952% * 0.0035% (0.03 1.0 0.02 0.02) = 0.003% HA GLU- 109 - HB2 GLU- 75 0.952% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% HA SER 49 - HB2 HIS+ 14 0.952% * 0.0030% (0.03 1.0 0.02 0.02) = 0.003% HA GLU- 56 - HB2 GLU- 18 0.952% * 0.0028% (0.03 1.0 0.02 0.02) = 0.003% HB3 SER 49 - HB2 HIS+ 14 0.952% * 0.0028% (0.03 1.0 0.02 0.02) = 0.003% HA VAL 122 - HB2 HIS+ 14 0.952% * 0.0024% (0.02 1.0 0.02 0.02) = 0.002% HA GLU- 54 - HB2 GLU- 18 0.952% * 0.0023% (0.02 1.0 0.02 0.02) = 0.002% HA GLU- 10 - HB2 GLU- 18 0.952% * 0.0023% (0.02 1.0 0.02 0.02) = 0.002% HA LYS+ 108 - HB2 GLU- 18 0.952% * 0.0023% (0.02 1.0 0.02 0.02) = 0.002% HA LEU 90 - HB2 HIS+ 14 0.952% * 0.0019% (0.02 1.0 0.02 0.02) = 0.002% HA SER 85 - HB2 GLU- 18 0.952% * 0.0019% (0.02 1.0 0.02 2.22) = 0.002% HA ARG+ 84 - HB2 GLU- 18 0.952% * 0.0019% (0.02 1.0 0.02 3.02) = 0.002% HA PRO 52 - HB2 GLU- 18 0.952% * 0.0019% (0.02 1.0 0.02 0.02) = 0.002% HA VAL 94 - HB2 GLU- 18 0.952% * 0.0017% (0.02 1.0 0.02 3.64) = 0.002% HA GLU- 109 - HB2 HIS+ 14 0.952% * 0.0017% (0.02 1.0 0.02 0.02) = 0.002% HA ALA 42 - HB2 GLU- 18 0.952% * 0.0016% (0.01 1.0 0.02 0.02) = 0.002% HA SER 49 - HB2 GLU- 18 0.952% * 0.0013% (0.01 1.0 0.02 0.02) = 0.001% HB3 SER 49 - HB2 GLU- 18 0.952% * 0.0012% (0.01 1.0 0.02 0.02) = 0.001% HA VAL 122 - HB2 GLU- 18 0.952% * 0.0010% (0.01 1.0 0.02 0.02) = 0.001% HA LEU 90 - HB2 GLU- 18 0.952% * 0.0008% (0.01 1.0 0.02 0.02) = 0.001% HA GLU- 109 - HB2 GLU- 18 0.952% * 0.0007% (0.01 1.0 0.02 0.02) = 0.001% Peak 4160 (2.12, 2.11, 30.73 ppm): 2 diagonal assignments: * HB2 GLU- 56 - HB2 GLU- 56 (0.78) kept HB3 GLU- 75 - HB3 GLU- 75 (0.58) kept Peak 4161 (1.97, 1.98, 30.81 ppm): 2 diagonal assignments: * HB3 GLU- 56 - HB3 GLU- 56 (0.95) kept HB3 GLU- 109 - HB3 GLU- 109 (0.20) kept Peak 4162 (8.78, 4.27, 57.06 ppm): 36 chemical-shift based assignments, quality = 0.761, support = 1.15, residual support = 1.53: HN THR 95 - HA GLU- 56 2.778% * 32.7979% (1.00 1.49 2.82) = 32.798% kept HN SER 69 - HA GLU- 56 2.778% * 23.5541% (0.94 1.13 0.92) = 23.554% kept HN SER 69 - HA GLU- 75 2.778% * 14.3813% (0.87 0.75 0.43) = 14.381% kept HN PHE 34 - HA GLU- 56 2.778% * 12.1491% (0.45 1.23 0.96) = 12.149% kept HN VAL 62 - HA GLU- 56 2.778% * 6.2556% (0.28 1.02 0.02) = 6.256% kept HN VAL 62 - HA GLU- 64 2.778% * 6.0377% (0.24 1.13 3.42) = 6.038% kept HN PHE 34 - HA ARG+ 84 2.778% * 0.9306% (0.14 0.31 5.06) = 0.931% HN THR 95 - HA GLU- 75 2.778% * 0.4056% (0.92 0.02 0.02) = 0.406% HN THR 95 - HA SER 85 2.778% * 0.3908% (0.89 0.02 0.02) = 0.391% HN THR 95 - HA GLU- 64 2.778% * 0.3844% (0.87 0.02 0.02) = 0.384% HN SER 69 - HA SER 85 2.778% * 0.3697% (0.84 0.02 0.02) = 0.370% HN SER 69 - HA GLU- 64 2.778% * 0.3637% (0.82 0.02 0.02) = 0.364% HN PHE 34 - HA GLU- 75 2.778% * 0.1818% (0.41 0.02 0.02) = 0.182% HN PHE 34 - HA SER 85 2.778% * 0.1752% (0.40 0.02 0.02) = 0.175% HN PHE 34 - HA GLU- 64 2.778% * 0.1724% (0.39 0.02 0.02) = 0.172% HN THR 95 - HA GLU- 107 2.778% * 0.1564% (0.35 0.02 0.02) = 0.156% HN SER 69 - HA GLU- 107 2.778% * 0.1480% (0.34 0.02 0.02) = 0.148% HN THR 95 - HA ARG+ 84 2.778% * 0.1349% (0.31 0.02 0.02) = 0.135% HN SER 69 - HA ARG+ 84 2.778% * 0.1276% (0.29 0.02 3.36) = 0.128% HN VAL 62 - HA GLU- 75 2.778% * 0.1128% (0.26 0.02 0.02) = 0.113% HN VAL 62 - HA SER 85 2.778% * 0.1087% (0.25 0.02 0.02) = 0.109% HN THR 95 - HA LYS+ 108 2.778% * 0.0782% (0.18 0.02 0.02) = 0.078% HN THR 95 - HA GLU- 10 2.778% * 0.0759% (0.17 0.02 0.02) = 0.076% HN SER 69 - HA LYS+ 108 2.778% * 0.0740% (0.17 0.02 0.02) = 0.074% HN SER 69 - HA GLU- 10 2.778% * 0.0718% (0.16 0.02 0.02) = 0.072% HN PHE 34 - HA GLU- 107 2.778% * 0.0701% (0.16 0.02 0.02) = 0.070% HN VAL 62 - HA GLU- 107 2.778% * 0.0435% (0.10 0.02 0.02) = 0.043% HN VAL 62 - HA ARG+ 84 2.778% * 0.0375% (0.09 0.02 0.02) = 0.037% HN THR 95 - HA ASP- 36 2.778% * 0.0370% (0.08 0.02 0.02) = 0.037% HN PHE 34 - HA LYS+ 108 2.778% * 0.0351% (0.08 0.02 0.02) = 0.035% HN SER 69 - HA ASP- 36 2.778% * 0.0350% (0.08 0.02 0.02) = 0.035% HN PHE 34 - HA GLU- 10 2.778% * 0.0341% (0.08 0.02 0.02) = 0.034% HN VAL 62 - HA LYS+ 108 2.778% * 0.0217% (0.05 0.02 0.02) = 0.022% HN VAL 62 - HA GLU- 10 2.778% * 0.0211% (0.05 0.02 0.02) = 0.021% HN PHE 34 - HA ASP- 36 2.778% * 0.0166% (0.04 0.02 0.02) = 0.017% HN VAL 62 - HA ASP- 36 2.778% * 0.0103% (0.02 0.02 0.02) = 0.010% Reference assignment not found: HN GLU- 56 - HA GLU- 56 Peak 4163 (4.27, 4.27, 57.06 ppm): 9 diagonal assignments: * HA GLU- 56 - HA GLU- 56 (0.99) kept HA GLU- 75 - HA GLU- 75 (0.85) kept HA SER 85 - HA SER 85 (0.84) kept HA GLU- 64 - HA GLU- 64 (0.82) kept HA ARG+ 84 - HA ARG+ 84 (0.29) kept HA GLU- 107 - HA GLU- 107 (0.23) kept HA LYS+ 108 - HA LYS+ 108 (0.02) kept HA GLU- 10 - HA GLU- 10 (0.02) kept HA ASP- 36 - HA ASP- 36 (0.01) kept Peak 4164 (2.13, 4.27, 57.06 ppm): 99 chemical-shift based assignments, quality = 0.72, support = 2.77, residual support = 20.8: O T HB3 GLU- 75 - HA GLU- 75 1.010% * 39.6287% (0.78 10.0 10.00 2.97 24.11) = 39.629% kept * O T HB2 GLU- 56 - HA GLU- 56 1.010% * 38.7295% (0.76 10.0 10.00 3.87 28.94) = 38.730% kept T HB3 GLU- 75 - HA GLU- 56 1.010% * 10.5043% (0.85 1.0 10.00 0.49 0.02) = 10.504% kept HG2 PRO 112 - HA GLU- 56 1.010% * 3.0459% (0.89 1.0 1.00 1.34 0.14) = 3.046% kept HB VAL 65 - HA GLU- 64 1.010% * 0.9801% (0.13 1.0 1.00 2.87 26.48) = 0.980% T HB3 GLU- 75 - HA GLU- 10 1.010% * 0.9125% (0.15 1.0 10.00 0.25 0.02) = 0.912% HG2 PRO 112 - HA GLU- 64 1.010% * 0.8524% (0.78 1.0 1.00 0.43 0.02) = 0.852% T HB3 GLU- 75 - HA SER 85 1.010% * 0.3819% (0.75 1.0 10.00 0.02 0.02) = 0.382% T HB3 GLU- 75 - HA GLU- 64 1.010% * 0.3756% (0.74 1.0 10.00 0.02 0.02) = 0.376% T HB2 GLU- 56 - HA GLU- 75 1.010% * 0.3571% (0.70 1.0 10.00 0.02 0.02) = 0.357% T HB2 GLU- 56 - HA SER 85 1.010% * 0.3441% (0.68 1.0 10.00 0.02 0.02) = 0.344% T HB2 GLU- 56 - HA GLU- 64 1.010% * 0.3385% (0.67 1.0 10.00 0.02 0.02) = 0.338% HG2 PRO 112 - HA ARG+ 84 1.010% * 0.2175% (0.27 1.0 1.00 0.31 0.02) = 0.217% HG2 PRO 112 - HA ASP- 36 1.010% * 0.2089% (0.08 1.0 1.00 1.09 1.41) = 0.209% T HG2 GLU- 45 - HA GLU- 107 1.010% * 0.1802% (0.35 1.0 10.00 0.02 0.02) = 0.180% T HB3 GLU- 75 - HA GLU- 107 1.010% * 0.1528% (0.30 1.0 10.00 0.02 0.02) = 0.153% T HB VAL 47 - HA GLU- 56 1.010% * 0.1409% (0.28 1.0 10.00 0.02 0.02) = 0.141% T HB2 GLU- 56 - HA GLU- 107 1.010% * 0.1377% (0.27 1.0 10.00 0.02 0.02) = 0.138% T HB3 GLU- 75 - HA ARG+ 84 1.010% * 0.1318% (0.26 1.0 10.00 0.02 0.02) = 0.132% T HB VAL 47 - HA GLU- 75 1.010% * 0.1299% (0.26 1.0 10.00 0.02 0.02) = 0.130% T HB VAL 47 - HA SER 85 1.010% * 0.1252% (0.25 1.0 10.00 0.02 0.02) = 0.125% T HB VAL 47 - HA GLU- 64 1.010% * 0.1231% (0.24 1.0 10.00 0.02 0.51) = 0.123% T HB2 GLU- 56 - HA ARG+ 84 1.010% * 0.1187% (0.23 1.0 10.00 0.02 0.02) = 0.119% HG2 PRO 112 - HA GLU- 10 1.010% * 0.0933% (0.15 1.0 1.00 0.24 0.02) = 0.093% T HG2 GLU- 45 - HA LYS+ 108 1.010% * 0.0901% (0.18 1.0 10.00 0.02 0.59) = 0.090% T HG2 GLU- 45 - HA GLU- 10 1.010% * 0.0875% (0.17 1.0 10.00 0.02 0.85) = 0.087% T HB3 GLU- 75 - HA LYS+ 108 1.010% * 0.0764% (0.15 1.0 10.00 0.02 0.02) = 0.076% T HB2 GLU- 56 - HA LYS+ 108 1.010% * 0.0689% (0.14 1.0 10.00 0.02 0.02) = 0.069% T HB2 GLU- 56 - HA GLU- 10 1.010% * 0.0669% (0.13 1.0 10.00 0.02 0.02) = 0.067% HG2 GLU- 45 - HA GLU- 56 1.010% * 0.0507% (1.00 1.0 1.00 0.02 0.02) = 0.051% T HB VAL 47 - HA GLU- 107 1.010% * 0.0501% (0.10 1.0 10.00 0.02 0.02) = 0.050% HB VAL 105 - HA GLU- 56 1.010% * 0.0479% (0.94 1.0 1.00 0.02 0.02) = 0.048% HG2 GLU- 45 - HA GLU- 75 1.010% * 0.0467% (0.92 1.0 1.00 0.02 0.11) = 0.047% HG2 GLU- 45 - HA SER 85 1.010% * 0.0450% (0.89 1.0 1.00 0.02 0.02) = 0.045% HG2 GLU- 45 - HA GLU- 64 1.010% * 0.0443% (0.87 1.0 1.00 0.02 0.02) = 0.044% HB VAL 105 - HA GLU- 75 1.010% * 0.0442% (0.87 1.0 1.00 0.02 0.02) = 0.044% HB2 ASP- 28 - HA GLU- 56 1.010% * 0.0440% (0.86 1.0 1.00 0.02 0.02) = 0.044% T HB VAL 47 - HA ARG+ 84 1.010% * 0.0432% (0.09 1.0 10.00 0.02 0.02) = 0.043% HB VAL 105 - HA SER 85 1.010% * 0.0426% (0.84 1.0 1.00 0.02 0.02) = 0.043% HB VAL 105 - HA GLU- 64 1.010% * 0.0419% (0.82 1.0 1.00 0.02 0.02) = 0.042% HG2 PRO 112 - HA GLU- 75 1.010% * 0.0419% (0.82 1.0 1.00 0.02 0.30) = 0.042% HB2 ASP- 28 - HA GLU- 75 1.010% * 0.0405% (0.80 1.0 1.00 0.02 0.02) = 0.041% HG2 PRO 112 - HA SER 85 1.010% * 0.0404% (0.79 1.0 1.00 0.02 0.02) = 0.040% HB2 ASP- 28 - HA SER 85 1.010% * 0.0391% (0.77 1.0 1.00 0.02 0.02) = 0.039% HB2 ASP- 28 - HA GLU- 64 1.010% * 0.0384% (0.76 1.0 1.00 0.02 0.02) = 0.038% HB VAL 87 - HA GLU- 56 1.010% * 0.0368% (0.72 1.0 1.00 0.02 0.02) = 0.037% T HB3 GLU- 75 - HA ASP- 36 1.010% * 0.0361% (0.07 1.0 10.00 0.02 0.02) = 0.036% HB VAL 87 - HA GLU- 75 1.010% * 0.0339% (0.67 1.0 1.00 0.02 0.02) = 0.034% HB VAL 87 - HA SER 85 1.010% * 0.0327% (0.64 1.0 1.00 0.02 0.12) = 0.033% T HB2 GLU- 56 - HA ASP- 36 1.010% * 0.0325% (0.06 1.0 10.00 0.02 0.02) = 0.033% HB VAL 87 - HA GLU- 64 1.010% * 0.0322% (0.63 1.0 1.00 0.02 0.02) = 0.032% T HB VAL 47 - HA LYS+ 108 1.010% * 0.0251% (0.05 1.0 10.00 0.02 0.02) = 0.025% HB3 LEU 43 - HA GLU- 56 1.010% * 0.0247% (0.49 1.0 1.00 0.02 0.02) = 0.025% T HB VAL 47 - HA GLU- 10 1.010% * 0.0243% (0.05 1.0 10.00 0.02 0.02) = 0.024% HB3 LEU 43 - HA GLU- 75 1.010% * 0.0227% (0.45 1.0 1.00 0.02 0.02) = 0.023% HB3 LEU 43 - HA SER 85 1.010% * 0.0219% (0.43 1.0 1.00 0.02 0.02) = 0.022% HB3 LEU 43 - HA GLU- 64 1.010% * 0.0216% (0.42 1.0 1.00 0.02 0.02) = 0.022% HB3 LYS+ 78 - HA GLU- 56 1.010% * 0.0208% (0.41 1.0 1.00 0.02 0.02) = 0.021% HB3 LYS+ 78 - HA GLU- 75 1.010% * 0.0192% (0.38 1.0 1.00 0.02 0.02) = 0.019% HB3 LYS+ 78 - HA SER 85 1.010% * 0.0185% (0.36 1.0 1.00 0.02 0.02) = 0.019% HB3 LYS+ 78 - HA GLU- 64 1.010% * 0.0182% (0.36 1.0 1.00 0.02 0.02) = 0.018% HB VAL 105 - HA GLU- 107 1.010% * 0.0170% (0.34 1.0 1.00 0.02 0.11) = 0.017% HG2 PRO 112 - HA GLU- 107 1.010% * 0.0162% (0.32 1.0 1.00 0.02 0.02) = 0.016% HB2 ASP- 28 - HA GLU- 107 1.010% * 0.0156% (0.31 1.0 1.00 0.02 0.02) = 0.016% HG2 GLU- 45 - HA ARG+ 84 1.010% * 0.0155% (0.31 1.0 1.00 0.02 0.02) = 0.016% HB VAL 105 - HA ARG+ 84 1.010% * 0.0147% (0.29 1.0 1.00 0.02 0.02) = 0.015% HB2 ASP- 28 - HA ARG+ 84 1.010% * 0.0135% (0.27 1.0 1.00 0.02 0.02) = 0.013% HB VAL 87 - HA GLU- 107 1.010% * 0.0131% (0.26 1.0 1.00 0.02 0.02) = 0.013% T HB VAL 47 - HA ASP- 36 1.010% * 0.0118% (0.02 1.0 10.00 0.02 0.02) = 0.012% HB VAL 87 - HA ARG+ 84 1.010% * 0.0113% (0.22 1.0 1.00 0.02 0.02) = 0.011% HB3 LEU 43 - HA GLU- 107 1.010% * 0.0088% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB VAL 105 - HA LYS+ 108 1.010% * 0.0085% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB VAL 105 - HA GLU- 10 1.010% * 0.0083% (0.16 1.0 1.00 0.02 0.02) = 0.008% HG2 PRO 112 - HA LYS+ 108 1.010% * 0.0081% (0.16 1.0 1.00 0.02 0.02) = 0.008% HB VAL 65 - HA GLU- 56 1.010% * 0.0078% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB2 ASP- 28 - HA LYS+ 108 1.010% * 0.0078% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB2 ASP- 28 - HA GLU- 10 1.010% * 0.0076% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB3 LEU 43 - HA ARG+ 84 1.010% * 0.0076% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 78 - HA GLU- 107 1.010% * 0.0074% (0.15 1.0 1.00 0.02 0.02) = 0.007% HB VAL 65 - HA GLU- 75 1.010% * 0.0072% (0.14 1.0 1.00 0.02 0.02) = 0.007% HB VAL 65 - HA SER 85 1.010% * 0.0069% (0.14 1.0 1.00 0.02 0.02) = 0.007% HB VAL 87 - HA LYS+ 108 1.010% * 0.0065% (0.13 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 78 - HA ARG+ 84 1.010% * 0.0064% (0.13 1.0 1.00 0.02 0.02) = 0.006% HB VAL 87 - HA GLU- 10 1.010% * 0.0064% (0.13 1.0 1.00 0.02 0.02) = 0.006% HB3 LEU 43 - HA LYS+ 108 1.010% * 0.0044% (0.09 1.0 1.00 0.02 0.02) = 0.004% HB3 LEU 43 - HA GLU- 10 1.010% * 0.0043% (0.08 1.0 1.00 0.02 0.02) = 0.004% HG2 GLU- 45 - HA ASP- 36 1.010% * 0.0043% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB VAL 105 - HA ASP- 36 1.010% * 0.0040% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB3 LYS+ 78 - HA LYS+ 108 1.010% * 0.0037% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB2 ASP- 28 - HA ASP- 36 1.010% * 0.0037% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB3 LYS+ 78 - HA GLU- 10 1.010% * 0.0036% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB VAL 87 - HA ASP- 36 1.010% * 0.0031% (0.06 1.0 1.00 0.02 0.02) = 0.003% HB VAL 65 - HA GLU- 107 1.010% * 0.0028% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB VAL 65 - HA ARG+ 84 1.010% * 0.0024% (0.05 1.0 1.00 0.02 0.02) = 0.002% HB3 LEU 43 - HA ASP- 36 1.010% * 0.0021% (0.04 1.0 1.00 0.02 0.02) = 0.002% HB3 LYS+ 78 - HA ASP- 36 1.010% * 0.0018% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB VAL 65 - HA LYS+ 108 1.010% * 0.0014% (0.03 1.0 1.00 0.02 0.02) = 0.001% HB VAL 65 - HA GLU- 10 1.010% * 0.0014% (0.03 1.0 1.00 0.02 0.02) = 0.001% HB VAL 65 - HA ASP- 36 1.010% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 4165 (1.98, 4.27, 57.06 ppm): 126 chemical-shift based assignments, quality = 0.532, support = 2.7, residual support = 17.7: * O T HB3 GLU- 56 - HA GLU- 56 0.794% * 45.1433% (0.83 10.0 10.00 3.65 28.94) = 45.143% kept T HB2 LYS+ 108 - HA GLU- 107 0.794% * 18.6204% (0.35 1.0 10.00 1.94 5.96) = 18.620% kept O T HB2 LYS+ 108 - HA LYS+ 108 0.794% * 9.5886% (0.18 10.0 10.00 2.39 13.53) = 9.589% kept O T HB3 GLU- 75 - HA GLU- 75 0.794% * 7.9943% (0.15 10.0 10.00 2.97 24.11) = 7.994% kept HB2 PRO 86 - HA SER 85 0.794% * 5.5663% (0.86 1.0 1.00 2.40 2.67) = 5.566% kept T HB3 GLU- 109 - HA LYS+ 108 0.794% * 2.3962% (0.04 1.0 10.00 2.18 4.61) = 2.396% kept T HB3 GLU- 75 - HA GLU- 56 0.794% * 2.1190% (0.16 1.0 10.00 0.49 0.02) = 2.119% kept HG2 PRO 112 - HA GLU- 56 0.794% * 1.7934% (0.49 1.0 1.00 1.34 0.14) = 1.793% kept T HB3 GLU- 109 - HA GLU- 107 0.794% * 0.5682% (0.09 1.0 10.00 0.24 0.02) = 0.568% HG2 PRO 112 - HA GLU- 64 0.794% * 0.5019% (0.43 1.0 1.00 0.43 0.02) = 0.502% T HB3 GLU- 56 - HA GLU- 75 0.794% * 0.4162% (0.77 1.0 10.00 0.02 0.02) = 0.416% T HB3 GLU- 56 - HA SER 85 0.794% * 0.4011% (0.74 1.0 10.00 0.02 0.02) = 0.401% T HB3 GLU- 56 - HA GLU- 64 0.794% * 0.3945% (0.73 1.0 10.00 0.02 0.02) = 0.395% T HB2 HIS+ 14 - HA GLU- 56 0.794% * 0.1844% (0.34 1.0 10.00 0.02 0.02) = 0.184% T HB3 GLU- 75 - HA GLU- 10 0.794% * 0.1841% (0.03 1.0 10.00 0.25 0.02) = 0.184% T HB2 HIS+ 14 - HA GLU- 75 0.794% * 0.1700% (0.31 1.0 10.00 0.02 0.13) = 0.170% T HB2 HIS+ 14 - HA SER 85 0.794% * 0.1638% (0.30 1.0 10.00 0.02 0.02) = 0.164% T HB2 HIS+ 14 - HA GLU- 64 0.794% * 0.1611% (0.30 1.0 10.00 0.02 0.02) = 0.161% T HB3 GLU- 56 - HA GLU- 107 0.794% * 0.1605% (0.30 1.0 10.00 0.02 0.02) = 0.161% T HB3 GLU- 56 - HA ARG+ 84 0.794% * 0.1384% (0.26 1.0 10.00 0.02 0.02) = 0.138% T HB3 GLU- 109 - HA GLU- 56 0.794% * 0.1348% (0.25 1.0 10.00 0.02 0.02) = 0.135% T HB2 GLU- 18 - HA GLU- 56 0.794% * 0.1348% (0.25 1.0 10.00 0.02 0.02) = 0.135% HG2 PRO 112 - HA ARG+ 84 0.794% * 0.1281% (0.15 1.0 1.00 0.31 0.02) = 0.128% T HB3 GLU- 109 - HA GLU- 75 0.794% * 0.1242% (0.23 1.0 10.00 0.02 0.02) = 0.124% T HB2 GLU- 18 - HA GLU- 75 0.794% * 0.1242% (0.23 1.0 10.00 0.02 0.02) = 0.124% HG2 PRO 112 - HA ASP- 36 0.794% * 0.1230% (0.04 1.0 1.00 1.09 1.41) = 0.123% T HB3 GLU- 109 - HA SER 85 0.794% * 0.1197% (0.22 1.0 10.00 0.02 0.02) = 0.120% T HB2 GLU- 18 - HA SER 85 0.794% * 0.1197% (0.22 1.0 10.00 0.02 2.22) = 0.120% T HB2 GLU- 18 - HA GLU- 64 0.794% * 0.1178% (0.22 1.0 10.00 0.02 0.02) = 0.118% T HB3 GLU- 109 - HA GLU- 64 0.794% * 0.1178% (0.22 1.0 10.00 0.02 0.02) = 0.118% T HB2 LYS+ 108 - HA GLU- 10 0.794% * 0.0931% (0.17 1.0 10.00 0.02 0.02) = 0.093% T HB3 GLU- 56 - HA LYS+ 108 0.794% * 0.0803% (0.15 1.0 10.00 0.02 0.02) = 0.080% T HB3 GLU- 56 - HA GLU- 10 0.794% * 0.0779% (0.14 1.0 10.00 0.02 0.02) = 0.078% T HB3 GLU- 75 - HA SER 85 0.794% * 0.0770% (0.14 1.0 10.00 0.02 0.02) = 0.077% T HB3 GLU- 75 - HA GLU- 64 0.794% * 0.0758% (0.14 1.0 10.00 0.02 0.02) = 0.076% T HB2 HIS+ 14 - HA GLU- 107 0.794% * 0.0656% (0.12 1.0 10.00 0.02 0.02) = 0.066% T HB2 HIS+ 14 - HA ARG+ 84 0.794% * 0.0565% (0.10 1.0 10.00 0.02 0.02) = 0.057% HG2 PRO 112 - HA GLU- 10 0.794% * 0.0550% (0.09 1.0 1.00 0.24 0.02) = 0.055% HB2 LYS+ 108 - HA GLU- 56 0.794% * 0.0539% (0.99 1.0 1.00 0.02 0.02) = 0.054% HB2 PRO 86 - HA GLU- 56 0.794% * 0.0522% (0.96 1.0 1.00 0.02 0.02) = 0.052% HB2 LYS+ 108 - HA GLU- 75 0.794% * 0.0497% (0.92 1.0 1.00 0.02 0.02) = 0.050% HB2 PRO 86 - HA GLU- 75 0.794% * 0.0481% (0.89 1.0 1.00 0.02 0.02) = 0.048% T HB2 GLU- 18 - HA GLU- 107 0.794% * 0.0479% (0.09 1.0 10.00 0.02 0.02) = 0.048% HB2 LYS+ 108 - HA SER 85 0.794% * 0.0479% (0.88 1.0 1.00 0.02 0.02) = 0.048% HB2 LYS+ 108 - HA GLU- 64 0.794% * 0.0471% (0.87 1.0 1.00 0.02 0.02) = 0.047% HB2 PRO 86 - HA GLU- 64 0.794% * 0.0456% (0.84 1.0 1.00 0.02 0.02) = 0.046% T HB3 GLU- 109 - HA ARG+ 84 0.794% * 0.0413% (0.08 1.0 10.00 0.02 0.02) = 0.041% T HB2 GLU- 18 - HA ARG+ 84 0.794% * 0.0413% (0.08 1.0 10.00 0.02 3.02) = 0.041% HG3 PRO 104 - HA GLU- 56 0.794% * 0.0392% (0.72 1.0 1.00 0.02 0.02) = 0.039% HG3 PRO 104 - HA GLU- 75 0.794% * 0.0362% (0.67 1.0 1.00 0.02 0.02) = 0.036% HB VAL 73 - HA GLU- 56 0.794% * 0.0350% (0.65 1.0 1.00 0.02 0.02) = 0.035% HG3 PRO 104 - HA SER 85 0.794% * 0.0349% (0.64 1.0 1.00 0.02 0.02) = 0.035% HG3 PRO 104 - HA GLU- 64 0.794% * 0.0343% (0.63 1.0 1.00 0.02 0.02) = 0.034% T HB VAL 13 - HA GLU- 107 0.794% * 0.0337% (0.06 1.0 10.00 0.02 0.02) = 0.034% T HB2 HIS+ 14 - HA LYS+ 108 0.794% * 0.0328% (0.06 1.0 10.00 0.02 0.02) = 0.033% HB VAL 73 - HA GLU- 75 0.794% * 0.0322% (0.59 1.0 1.00 0.02 0.02) = 0.032% T HB2 HIS+ 14 - HA GLU- 10 0.794% * 0.0318% (0.06 1.0 10.00 0.02 0.02) = 0.032% HB VAL 73 - HA SER 85 0.794% * 0.0311% (0.57 1.0 1.00 0.02 0.02) = 0.031% T HB3 GLU- 75 - HA GLU- 107 0.794% * 0.0308% (0.06 1.0 10.00 0.02 0.02) = 0.031% HB VAL 73 - HA GLU- 64 0.794% * 0.0306% (0.56 1.0 1.00 0.02 0.02) = 0.031% T HB3 GLU- 75 - HA ARG+ 84 0.794% * 0.0266% (0.05 1.0 10.00 0.02 0.02) = 0.027% HG2 PRO 112 - HA GLU- 75 0.794% * 0.0247% (0.46 1.0 1.00 0.02 0.30) = 0.025% T HB2 GLU- 18 - HA LYS+ 108 0.794% * 0.0240% (0.04 1.0 10.00 0.02 0.02) = 0.024% HG2 PRO 112 - HA SER 85 0.794% * 0.0238% (0.44 1.0 1.00 0.02 0.02) = 0.024% T HB3 GLU- 109 - HA GLU- 10 0.794% * 0.0233% (0.04 1.0 10.00 0.02 0.02) = 0.023% T HB2 GLU- 18 - HA GLU- 10 0.794% * 0.0233% (0.04 1.0 10.00 0.02 0.02) = 0.023% HB2 PRO 86 - HA GLU- 107 0.794% * 0.0185% (0.34 1.0 1.00 0.02 0.02) = 0.019% HB3 MET 118 - HA GLU- 56 0.794% * 0.0184% (0.34 1.0 1.00 0.02 0.02) = 0.018% HB3 MET 118 - HA GLU- 75 0.794% * 0.0170% (0.31 1.0 1.00 0.02 0.02) = 0.017% T HB VAL 13 - HA LYS+ 108 0.794% * 0.0168% (0.03 1.0 10.00 0.02 0.02) = 0.017% HB2 LYS+ 108 - HA ARG+ 84 0.794% * 0.0165% (0.31 1.0 1.00 0.02 0.02) = 0.017% HB3 MET 118 - HA SER 85 0.794% * 0.0164% (0.30 1.0 1.00 0.02 0.02) = 0.016% T HB VAL 13 - HA GLU- 10 0.794% * 0.0163% (0.03 1.0 10.00 0.02 0.02) = 0.016% HB3 MET 118 - HA GLU- 64 0.794% * 0.0161% (0.30 1.0 1.00 0.02 0.02) = 0.016% HB2 PRO 86 - HA ARG+ 84 0.794% * 0.0160% (0.30 1.0 1.00 0.02 0.02) = 0.016% T HB3 GLU- 75 - HA LYS+ 108 0.794% * 0.0154% (0.03 1.0 10.00 0.02 0.02) = 0.015% HG3 PRO 112 - HA GLU- 56 0.794% * 0.0150% (0.28 1.0 1.00 0.02 0.14) = 0.015% HG3 PRO 104 - HA GLU- 107 0.794% * 0.0140% (0.26 1.0 1.00 0.02 0.02) = 0.014% HG3 PRO 112 - HA GLU- 75 0.794% * 0.0139% (0.26 1.0 1.00 0.02 0.30) = 0.014% HG3 PRO 112 - HA SER 85 0.794% * 0.0134% (0.25 1.0 1.00 0.02 0.02) = 0.013% HG3 PRO 112 - HA GLU- 64 0.794% * 0.0131% (0.24 1.0 1.00 0.02 0.02) = 0.013% HB VAL 73 - HA GLU- 107 0.794% * 0.0124% (0.23 1.0 1.00 0.02 0.11) = 0.012% HG3 PRO 104 - HA ARG+ 84 0.794% * 0.0120% (0.22 1.0 1.00 0.02 0.02) = 0.012% T HB2 GLU- 18 - HA ASP- 36 0.794% * 0.0113% (0.02 1.0 10.00 0.02 0.02) = 0.011% HB VAL 73 - HA ARG+ 84 0.794% * 0.0107% (0.20 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HA GLU- 107 0.794% * 0.0095% (0.18 1.0 1.00 0.02 0.02) = 0.010% HB VAL 13 - HA GLU- 56 0.794% * 0.0095% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB2 PRO 86 - HA LYS+ 108 0.794% * 0.0093% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB2 PRO 86 - HA GLU- 10 0.794% * 0.0090% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB VAL 13 - HA GLU- 75 0.794% * 0.0087% (0.16 1.0 1.00 0.02 0.56) = 0.009% HB VAL 13 - HA SER 85 0.794% * 0.0084% (0.16 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 116 - HA GLU- 56 0.794% * 0.0083% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB VAL 13 - HA GLU- 64 0.794% * 0.0083% (0.15 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 116 - HA GLU- 75 0.794% * 0.0077% (0.14 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 116 - HA SER 85 0.794% * 0.0074% (0.14 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 116 - HA GLU- 64 0.794% * 0.0073% (0.13 1.0 1.00 0.02 0.02) = 0.007% T HB3 GLU- 75 - HA ASP- 36 0.794% * 0.0073% (0.01 1.0 10.00 0.02 0.02) = 0.007% HG3 PRO 104 - HA LYS+ 108 0.794% * 0.0070% (0.13 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 104 - HA GLU- 10 0.794% * 0.0068% (0.13 1.0 1.00 0.02 0.02) = 0.007% HB3 MET 118 - HA GLU- 107 0.794% * 0.0066% (0.12 1.0 1.00 0.02 0.02) = 0.007% HB VAL 73 - HA LYS+ 108 0.794% * 0.0062% (0.11 1.0 1.00 0.02 0.02) = 0.006% HB VAL 73 - HA GLU- 10 0.794% * 0.0060% (0.11 1.0 1.00 0.02 0.02) = 0.006% HB3 MET 118 - HA ARG+ 84 0.794% * 0.0057% (0.10 1.0 1.00 0.02 0.02) = 0.006% HG3 PRO 112 - HA GLU- 107 0.794% * 0.0053% (0.10 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 112 - HA LYS+ 108 0.794% * 0.0048% (0.09 1.0 1.00 0.02 0.02) = 0.005% HG3 PRO 112 - HA ARG+ 84 0.794% * 0.0046% (0.09 1.0 1.00 0.02 0.02) = 0.005% HB2 LYS+ 108 - HA ASP- 36 0.794% * 0.0045% (0.08 1.0 1.00 0.02 0.02) = 0.005% HB2 PRO 86 - HA ASP- 36 0.794% * 0.0044% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB3 GLU- 56 - HA ASP- 36 0.794% * 0.0038% (0.07 1.0 1.00 0.02 0.02) = 0.004% HG3 PRO 104 - HA ASP- 36 0.794% * 0.0033% (0.06 1.0 1.00 0.02 0.02) = 0.003% HB3 MET 118 - HA LYS+ 108 0.794% * 0.0033% (0.06 1.0 1.00 0.02 0.02) = 0.003% HB3 MET 118 - HA GLU- 10 0.794% * 0.0032% (0.06 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 116 - HA GLU- 107 0.794% * 0.0030% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB VAL 73 - HA ASP- 36 0.794% * 0.0029% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB VAL 13 - HA ARG+ 84 0.794% * 0.0029% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 112 - HA LYS+ 108 0.794% * 0.0027% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 112 - HA GLU- 10 0.794% * 0.0026% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 116 - HA ARG+ 84 0.794% * 0.0026% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB2 HIS+ 14 - HA ASP- 36 0.794% * 0.0015% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB3 MET 118 - HA ASP- 36 0.794% * 0.0015% (0.03 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 116 - HA LYS+ 108 0.794% * 0.0015% (0.03 1.0 1.00 0.02 0.02) = 0.001% HG3 PRO 116 - HA GLU- 10 0.794% * 0.0014% (0.03 1.0 1.00 0.02 0.02) = 0.001% HG3 PRO 112 - HA ASP- 36 0.794% * 0.0013% (0.02 1.0 1.00 0.02 1.41) = 0.001% HB3 GLU- 109 - HA ASP- 36 0.794% * 0.0011% (0.02 1.0 1.00 0.02 0.02) = 0.001% HB VAL 13 - HA ASP- 36 0.794% * 0.0008% (0.01 1.0 1.00 0.02 0.02) = 0.001% HG3 PRO 116 - HA ASP- 36 0.794% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 4166 (4.28, 2.34, 36.71 ppm): 36 chemical-shift based assignments, quality = 0.828, support = 3.55, residual support = 26.6: * O HA GLU- 56 - HG3 GLU- 56 2.778% * 91.3547% (0.83 10.0 3.77 28.94) = 91.355% kept HA VAL 94 - HG3 GLU- 56 2.778% * 7.3695% (0.95 1.0 1.40 1.53) = 7.369% kept HA PRO 52 - HG3 GLU- 56 2.778% * 0.1044% (0.95 1.0 0.02 0.02) = 0.104% HA SER 85 - HG3 GLU- 56 2.778% * 0.1044% (0.95 1.0 0.02 0.02) = 0.104% HA ARG+ 84 - HG3 GLU- 56 2.778% * 0.1044% (0.95 1.0 0.02 0.02) = 0.104% HA VAL 122 - HG3 GLU- 56 2.778% * 0.1016% (0.92 1.0 0.02 0.02) = 0.102% HA LEU 90 - HG3 GLU- 56 2.778% * 0.0972% (0.88 1.0 0.02 0.02) = 0.097% HB3 CYS 121 - HG3 GLU- 56 2.778% * 0.0805% (0.73 1.0 0.02 0.02) = 0.080% HA GLU- 64 - HG3 GLU- 56 2.778% * 0.0765% (0.69 1.0 0.02 0.02) = 0.076% HA GLU- 75 - HG3 GLU- 56 2.778% * 0.0723% (0.66 1.0 0.02 0.02) = 0.072% HA THR 106 - HG3 GLU- 56 2.778% * 0.0681% (0.62 1.0 0.02 0.02) = 0.068% HA CYS 121 - HG3 GLU- 56 2.778% * 0.0639% (0.58 1.0 0.02 0.02) = 0.064% HA ASP- 36 - HG3 GLU- 56 2.778% * 0.0395% (0.36 1.0 0.02 0.02) = 0.040% HA GLU- 107 - HG3 GLU- 56 2.778% * 0.0395% (0.36 1.0 0.02 0.02) = 0.040% HA ASN 119 - HG3 GLU- 56 2.778% * 0.0395% (0.36 1.0 0.02 0.02) = 0.040% HA ASN 76 - HG3 GLU- 56 2.778% * 0.0359% (0.33 1.0 0.02 0.02) = 0.036% HA ALA 11 - HG3 GLU- 56 2.778% * 0.0293% (0.27 1.0 0.02 0.02) = 0.029% HB3 SER 49 - HG3 GLU- 56 2.778% * 0.0179% (0.16 1.0 0.02 0.02) = 0.018% HA VAL 94 - HG3 GLU- 50 2.778% * 0.0166% (0.15 1.0 0.02 0.02) = 0.017% HA PRO 52 - HG3 GLU- 50 2.778% * 0.0165% (0.15 1.0 0.02 0.30) = 0.016% HA ARG+ 84 - HG3 GLU- 50 2.778% * 0.0165% (0.15 1.0 0.02 0.02) = 0.016% HA SER 85 - HG3 GLU- 50 2.778% * 0.0165% (0.15 1.0 0.02 0.02) = 0.016% HA VAL 122 - HG3 GLU- 50 2.778% * 0.0161% (0.15 1.0 0.02 0.02) = 0.016% HA LEU 90 - HG3 GLU- 50 2.778% * 0.0154% (0.14 1.0 0.02 0.02) = 0.015% HA GLU- 56 - HG3 GLU- 50 2.778% * 0.0144% (0.13 1.0 0.02 0.46) = 0.014% HB3 CYS 121 - HG3 GLU- 50 2.778% * 0.0127% (0.12 1.0 0.02 0.02) = 0.013% HA GLU- 64 - HG3 GLU- 50 2.778% * 0.0121% (0.11 1.0 0.02 0.02) = 0.012% HA GLU- 75 - HG3 GLU- 50 2.778% * 0.0114% (0.10 1.0 0.02 0.43) = 0.011% HA THR 106 - HG3 GLU- 50 2.778% * 0.0108% (0.10 1.0 0.02 0.02) = 0.011% HA CYS 121 - HG3 GLU- 50 2.778% * 0.0101% (0.09 1.0 0.02 0.02) = 0.010% HA ASP- 36 - HG3 GLU- 50 2.778% * 0.0062% (0.06 1.0 0.02 0.02) = 0.006% HA GLU- 107 - HG3 GLU- 50 2.778% * 0.0062% (0.06 1.0 0.02 0.02) = 0.006% HA ASN 119 - HG3 GLU- 50 2.778% * 0.0062% (0.06 1.0 0.02 0.02) = 0.006% HA ASN 76 - HG3 GLU- 50 2.778% * 0.0057% (0.05 1.0 0.02 0.02) = 0.006% HA ALA 11 - HG3 GLU- 50 2.778% * 0.0046% (0.04 1.0 0.02 0.02) = 0.005% HB3 SER 49 - HG3 GLU- 50 2.778% * 0.0028% (0.03 1.0 0.02 17.80) = 0.003% Peak 4167 (2.34, 2.34, 36.71 ppm): 2 diagonal assignments: * HG3 GLU- 56 - HG3 GLU- 56 (0.94) kept HG3 GLU- 50 - HG3 GLU- 50 (0.06) kept Peak 4168 (0.89, 3.70, 29.49 ppm): 10 chemical-shift based assignments, quality = 0.463, support = 0.899, residual support = 1.67: QG1 VAL 47 - HB2 TRP 51 10.000% * 36.3725% (0.45 1.54 4.00) = 36.373% kept QG2 VAL 40 - HB2 TRP 51 10.000% * 18.8817% (0.49 0.75 0.80) = 18.882% kept QG1 VAL 80 - HB2 TRP 51 10.000% * 14.3954% (0.54 0.51 0.28) = 14.395% kept QG2 VAL 87 - HB2 TRP 51 10.000% * 11.8116% (0.49 0.47 0.14) = 11.812% kept QG2 VAL 125 - HB2 TRP 51 10.000% * 9.3502% (0.42 0.43 0.02) = 9.350% kept QD1 LEU 67 - HB2 TRP 51 10.000% * 7.3797% (0.42 0.34 0.02) = 7.380% kept QG2 VAL 80 - HB2 TRP 51 10.000% * 1.2101% (0.08 0.28 0.28) = 1.210% kept HG3 LYS+ 117 - HB2 TRP 51 10.000% * 0.3881% (0.37 0.02 0.02) = 0.388% QG2 ILE 100 - HB2 TRP 51 10.000% * 0.1118% (0.11 0.02 1.36) = 0.112% QD1 LEU 90 - HB2 TRP 51 10.000% * 0.0990% (0.10 0.02 0.02) = 0.099% Peak 4169 (3.71, 0.83, 15.60 ppm): 6 chemical-shift based assignments, quality = 0.837, support = 3.34, residual support = 8.26: HB2 TRP 51 - QG1 VAL 13 16.667% * 48.1947% (0.84 3.54 8.96) = 48.195% kept * HB2 TRP 51 - QD1 ILE 29 16.667% * 47.2728% (0.85 3.43 8.35) = 47.273% kept HA LYS+ 81 - QG1 VAL 13 16.667% * 3.6090% (0.89 0.25 0.02) = 3.609% kept HB3 SER 69 - QD1 ILE 29 16.667% * 0.3168% (0.97 0.02 0.02) = 0.317% HB3 SER 69 - QG1 VAL 13 16.667% * 0.3136% (0.96 0.02 0.02) = 0.314% HA LYS+ 81 - QD1 ILE 29 16.667% * 0.2931% (0.90 0.02 0.02) = 0.293% Peak 4170 (4.34, 4.36, 56.50 ppm): 2 diagonal assignments: * HA TRP 51 - HA TRP 51 (0.13) kept HA LYS+ 60 - HA LYS+ 60 (0.11) kept Peak 4172 (1.84, 4.36, 56.43 ppm): 24 chemical-shift based assignments, quality = 0.669, support = 3.32, residual support = 27.2: T HB2 PRO 59 - HA LYS+ 60 4.167% * 49.1780% (0.72 1.0 10.00 3.01 12.86) = 49.178% kept O T HB3 LYS+ 60 - HA LYS+ 60 4.167% * 45.3970% (0.67 10.0 10.00 3.97 45.24) = 45.397% kept HD2 PRO 59 - HA LYS+ 60 4.167% * 2.2949% (0.37 1.0 1.00 1.81 12.86) = 2.295% kept T HB2 LYS+ 66 - HA LYS+ 60 4.167% * 0.5657% (0.83 1.0 10.00 0.02 0.02) = 0.566% T HB2 LYS+ 66 - HA TRP 51 4.167% * 0.5406% (0.80 1.0 10.00 0.02 0.02) = 0.541% T HB2 PRO 59 - HA TRP 51 4.167% * 0.4700% (0.69 1.0 10.00 0.02 1.65) = 0.470% T HB3 LYS+ 60 - HA TRP 51 4.167% * 0.4338% (0.64 1.0 10.00 0.02 0.02) = 0.434% T HB2 PRO 104 - HA LYS+ 60 4.167% * 0.4117% (0.61 1.0 10.00 0.02 0.02) = 0.412% T HB2 PRO 104 - HA TRP 51 4.167% * 0.3934% (0.58 1.0 10.00 0.02 0.02) = 0.393% HB3 LYS+ 72 - HA LYS+ 60 4.167% * 0.0433% (0.64 1.0 1.00 0.02 0.02) = 0.043% HB3 LYS+ 72 - HA TRP 51 4.167% * 0.0414% (0.61 1.0 1.00 0.02 0.02) = 0.041% HB VAL 94 - HA LYS+ 60 4.167% * 0.0276% (0.41 1.0 1.00 0.02 0.02) = 0.028% HB VAL 94 - HA TRP 51 4.167% * 0.0264% (0.39 1.0 1.00 0.02 0.02) = 0.026% HD2 PRO 59 - HA TRP 51 4.167% * 0.0243% (0.36 1.0 1.00 0.02 1.65) = 0.024% HD3 LYS+ 117 - HA LYS+ 60 4.167% * 0.0233% (0.34 1.0 1.00 0.02 0.02) = 0.023% HD3 LYS+ 117 - HA TRP 51 4.167% * 0.0223% (0.33 1.0 1.00 0.02 0.02) = 0.022% HG3 LYS+ 108 - HA LYS+ 60 4.167% * 0.0213% (0.31 1.0 1.00 0.02 0.02) = 0.021% HG3 LYS+ 108 - HA TRP 51 4.167% * 0.0203% (0.30 1.0 1.00 0.02 0.02) = 0.020% HD3 LYS+ 72 - HA LYS+ 60 4.167% * 0.0141% (0.21 1.0 1.00 0.02 0.02) = 0.014% HD3 LYS+ 72 - HA TRP 51 4.167% * 0.0135% (0.20 1.0 1.00 0.02 0.02) = 0.014% HB2 GLU- 109 - HA LYS+ 60 4.167% * 0.0099% (0.15 1.0 1.00 0.02 0.02) = 0.010% HB2 GLU- 109 - HA TRP 51 4.167% * 0.0095% (0.14 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 112 - HA LYS+ 60 4.167% * 0.0091% (0.13 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 112 - HA TRP 51 4.167% * 0.0087% (0.13 1.0 1.00 0.02 0.82) = 0.009% Peak 4173 (4.93, 1.33, 30.88 ppm): 3 chemical-shift based assignments, quality = 0.616, support = 1.91, residual support = 4.15: HA ALA 33 - HB2 ARG+ 22 33.333% * 49.4381% (0.76 1.99 3.29) = 49.438% kept HA ILE 101 - HB2 ARG+ 22 33.333% * 34.5575% (0.56 1.87 3.44) = 34.557% kept * HA HIS+ 98 - HB2 ARG+ 22 33.333% * 16.0045% (0.28 1.77 8.33) = 16.004% kept Peak 4174 (4.93, 1.22, 30.87 ppm): 3 chemical-shift based assignments, quality = 0.79, support = 1.59, residual support = 4.37: HA ILE 101 - HB3 ARG+ 22 33.333% * 42.7869% (0.80 1.86 3.44) = 42.787% kept HA ALA 33 - HB3 ARG+ 22 33.333% * 37.0403% (0.94 1.36 3.29) = 37.040% kept * HA HIS+ 98 - HB3 ARG+ 22 33.333% * 20.1729% (0.49 1.44 8.33) = 20.173% kept Peak 4175 (5.19, 5.19, 54.16 ppm): 1 diagonal assignment: * HA ARG+ 22 - HA ARG+ 22 (0.98) kept Peak 4176 (5.40, 5.19, 54.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4177 (5.97, 5.19, 54.16 ppm): 1 chemical-shift based assignment, quality = 0.687, support = 2.0, residual support = 4.21: * T HA ASP- 28 - HA ARG+ 22 100.000% *100.0000% (0.69 10.00 2.00 4.21) = 100.000% kept Peak 4178 (8.97, 5.19, 54.16 ppm): 6 chemical-shift based assignments, quality = 0.408, support = 4.21, residual support = 70.9: * O HN ARG+ 22 - HA ARG+ 22 16.667% * 69.2799% (0.28 10.0 5.34 99.72) = 69.280% kept HN MET 97 - HA ARG+ 22 16.667% * 10.6682% (0.87 1.0 0.99 0.93) = 10.668% kept HN ILE 19 - HA ARG+ 22 16.667% * 10.4131% (0.99 1.0 0.84 1.75) = 10.413% kept HN PHE 21 - HA ARG+ 22 16.667% * 7.7139% (0.15 1.0 4.01 20.17) = 7.714% kept HN LEU 17 - HA ARG+ 22 16.667% * 1.1229% (0.69 1.0 0.13 0.02) = 1.123% kept HN THR 96 - HA ARG+ 22 16.667% * 0.8019% (0.22 1.0 0.29 0.02) = 0.802% Peak 4179 (9.32, 5.19, 54.16 ppm): 1 chemical-shift based assignment, quality = 0.309, support = 5.27, residual support = 20.8: HN ILE 29 - HA ARG+ 22 100.000% *100.0000% (0.31 5.27 20.80) = 100.000% kept Reference assignment not found: HN LEU 23 - HA ARG+ 22 Peak 4180 (8.51, 5.19, 54.16 ppm): 2 chemical-shift based assignments, quality = 0.294, support = 0.352, residual support = 0.402: HN GLU- 10 - HA ARG+ 22 50.000% * 67.0777% (0.34 0.37 0.51) = 67.078% kept HN GLU- 18 - HA ARG+ 22 50.000% * 32.9223% (0.20 0.31 0.18) = 32.922% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 4182 (1.32, 1.32, 30.88 ppm): 1 diagonal assignment: * HB2 ARG+ 22 - HB2 ARG+ 22 (0.80) kept Peak 4183 (1.22, 1.33, 30.88 ppm): 3 chemical-shift based assignments, quality = 0.867, support = 4.55, residual support = 97.0: O T HB3 ARG+ 22 - HB2 ARG+ 22 33.333% * 97.2946% (0.86 10.0 10.00 4.66 99.72) = 97.295% kept HG12 ILE 100 - HB2 ARG+ 22 33.333% * 2.6239% (1.00 1.0 1.00 0.47 0.13) = 2.624% kept HB2 LEU 67 - HB2 ARG+ 22 33.333% * 0.0814% (0.72 1.0 1.00 0.02 0.70) = 0.081% Peak 4184 (0.69, 1.33, 30.88 ppm): 10 chemical-shift based assignments, quality = 0.93, support = 1.33, residual support = 1.9: QG2 ILE 101 - HB2 ARG+ 22 10.000% * 32.0222% (0.94 1.95 3.44) = 32.022% kept QG2 ILE 48 - HB2 ARG+ 22 10.000% * 20.3153% (0.98 1.18 0.71) = 20.315% kept HG12 ILE 19 - HB2 ARG+ 22 10.000% * 19.5153% (0.89 1.25 1.75) = 19.515% kept QD1 ILE 19 - HB2 ARG+ 22 10.000% * 17.8175% (0.96 1.06 1.75) = 17.817% kept QG2 VAL 94 - HB2 ARG+ 22 10.000% * 4.8563% (0.92 0.30 0.02) = 4.856% kept QG1 VAL 65 - HB2 ARG+ 22 10.000% * 4.6911% (0.86 0.31 0.02) = 4.691% kept QG2 ILE 68 - HB2 ARG+ 22 10.000% * 0.3218% (0.92 0.02 0.02) = 0.322% QG2 THR 96 - HB2 ARG+ 22 10.000% * 0.2395% (0.68 0.02 0.02) = 0.239% QG1 VAL 62 - HB2 ARG+ 22 10.000% * 0.1433% (0.41 0.02 0.10) = 0.143% HG LEU 74 - HB2 ARG+ 22 10.000% * 0.0776% (0.22 0.02 0.02) = 0.078% Peak 4185 (1.32, 1.22, 30.87 ppm): 4 chemical-shift based assignments, quality = 0.963, support = 4.54, residual support = 96.9: O T HB2 ARG+ 22 - HB3 ARG+ 22 25.000% * 97.1689% (0.96 10.0 10.00 4.66 99.72) = 97.169% kept QG2 THR 46 - HB3 ARG+ 22 25.000% * 2.7757% (0.94 1.0 1.00 0.58 0.02) = 2.776% kept QB ALA 103 - HB3 ARG+ 22 25.000% * 0.0378% (0.37 1.0 1.00 0.02 0.02) = 0.038% HB2 LYS+ 55 - HB3 ARG+ 22 25.000% * 0.0176% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 4186 (1.22, 1.22, 30.87 ppm): 1 diagonal assignment: * HB3 ARG+ 22 - HB3 ARG+ 22 (0.99) kept Peak 4187 (0.69, 1.22, 30.87 ppm): 10 chemical-shift based assignments, quality = 0.932, support = 1.28, residual support = 1.92: QG2 ILE 101 - HB3 ARG+ 22 10.000% * 35.8031% (0.94 1.99 3.44) = 35.803% kept QG2 ILE 48 - HB3 ARG+ 22 10.000% * 22.2709% (0.98 1.18 0.71) = 22.271% kept HG12 ILE 19 - HB3 ARG+ 22 10.000% * 17.6664% (0.90 1.03 1.75) = 17.666% kept QD1 ILE 19 - HB3 ARG+ 22 10.000% * 12.7355% (0.96 0.69 1.75) = 12.736% kept QG2 VAL 94 - HB3 ARG+ 22 10.000% * 5.4246% (0.92 0.31 0.02) = 5.425% kept QG1 VAL 65 - HB3 ARG+ 22 10.000% * 5.2401% (0.87 0.32 0.02) = 5.240% kept QG2 ILE 68 - HB3 ARG+ 22 10.000% * 0.3536% (0.92 0.02 0.02) = 0.354% QG2 THR 96 - HB3 ARG+ 22 10.000% * 0.2631% (0.69 0.02 0.02) = 0.263% QG1 VAL 62 - HB3 ARG+ 22 10.000% * 0.1575% (0.41 0.02 0.10) = 0.157% HG LEU 74 - HB3 ARG+ 22 10.000% * 0.0853% (0.22 0.02 0.02) = 0.085% Peak 4188 (6.75, 1.37, 26.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4189 (6.75, 1.65, 26.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4190 (5.20, 1.43, 26.34 ppm): 1 chemical-shift based assignment, quality = 0.835, support = 5.86, residual support = 99.7: * O HA ARG+ 22 - HG3 ARG+ 22 100.000% *100.0000% (0.84 10.0 5.86 99.72) = 100.000% kept Peak 4191 (8.97, 1.43, 26.34 ppm): 6 chemical-shift based assignments, quality = 0.425, support = 3.62, residual support = 54.7: * HN ARG+ 22 - HG3 ARG+ 22 16.667% * 50.9460% (0.28 5.58 99.72) = 50.946% kept HN MET 97 - HG3 ARG+ 22 16.667% * 19.0168% (0.87 0.67 0.93) = 19.017% kept HN PHE 21 - HG3 ARG+ 22 16.667% * 17.5422% (0.15 3.46 20.17) = 17.542% kept HN ILE 19 - HG3 ARG+ 22 16.667% * 8.3576% (0.99 0.26 1.75) = 8.358% kept HN THR 96 - HG3 ARG+ 22 16.667% * 3.6862% (0.22 0.50 0.02) = 3.686% kept HN LEU 17 - HG3 ARG+ 22 16.667% * 0.4512% (0.69 0.02 0.02) = 0.451% Peak 4192 (1.33, 1.43, 26.34 ppm): 3 chemical-shift based assignments, quality = 0.993, support = 6.04, residual support = 97.4: * O HB2 ARG+ 22 - HG3 ARG+ 22 33.333% * 97.6934% (1.00 10.0 6.17 99.72) = 97.693% kept QG2 THR 46 - HG3 ARG+ 22 33.333% * 2.2848% (0.80 1.0 0.58 0.02) = 2.285% kept QB ALA 103 - HG3 ARG+ 22 33.333% * 0.0218% (0.22 1.0 0.02 0.02) = 0.022% Peak 4193 (3.30, 1.43, 26.66 ppm): 4 chemical-shift based assignments, quality = 0.152, support = 4.26, residual support = 98.4: O HD3 ARG+ 22 - HG3 ARG+ 22 25.000% * 98.7188% (0.15 10.0 4.31 99.72) = 98.719% kept HD3 ARG+ 53 - HG3 ARG+ 22 25.000% * 0.8962% (0.07 1.0 0.41 0.02) = 0.896% HE3 LYS+ 63 - HG3 ARG+ 22 25.000% * 0.2722% (0.11 1.0 0.08 0.02) = 0.272% HD2 PRO 52 - HG3 ARG+ 22 25.000% * 0.1128% (0.18 1.0 0.02 0.02) = 0.113% Peak 4194 (6.97, 1.43, 26.34 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 0.75, residual support = 1.5: HD22 ASN 57 - HG3 ARG+ 22 100.000% *100.0000% (0.95 0.75 1.50) = 100.000% kept Peak 4195 (8.97, 1.64, 26.34 ppm): 6 chemical-shift based assignments, quality = 0.546, support = 3.45, residual support = 41.0: * HN ARG+ 22 - HG2 ARG+ 22 16.667% * 37.2698% (0.28 5.87 99.72) = 37.270% kept HN MET 97 - HG2 ARG+ 22 16.667% * 26.4416% (0.87 1.33 0.93) = 26.442% kept HN ILE 19 - HG2 ARG+ 22 16.667% * 18.9821% (0.99 0.84 1.75) = 18.982% kept HN PHE 21 - HG2 ARG+ 22 16.667% * 16.3006% (0.15 4.62 20.17) = 16.301% kept HN THR 96 - HG2 ARG+ 22 16.667% * 0.6921% (0.22 0.14 0.02) = 0.692% HN LEU 17 - HG2 ARG+ 22 16.667% * 0.3138% (0.69 0.02 0.02) = 0.314% Peak 4196 (6.97, 1.64, 26.34 ppm): 1 chemical-shift based assignment, quality = 0.946, support = 0.75, residual support = 1.5: HD22 ASN 57 - HG2 ARG+ 22 100.000% *100.0000% (0.95 0.75 1.50) = 100.000% kept Peak 4197 (9.31, 1.64, 26.34 ppm): 2 chemical-shift based assignments, quality = 0.634, support = 4.89, residual support = 30.1: HN ILE 29 - HG2 ARG+ 22 50.000% * 52.5482% (0.84 3.50 20.80) = 52.548% kept * HN LEU 23 - HG2 ARG+ 22 50.000% * 47.4518% (0.41 6.43 40.42) = 47.452% kept Peak 4198 (9.31, 1.43, 26.34 ppm): 2 chemical-shift based assignments, quality = 0.484, support = 4.39, residual support = 28.8: HN ILE 29 - HG3 ARG+ 22 50.000% * 58.9895% (0.65 3.30 20.80) = 58.989% kept * HN LEU 23 - HG3 ARG+ 22 50.000% * 41.0105% (0.25 5.96 40.42) = 41.011% kept Peak 4199 (5.20, 1.64, 26.34 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 6.56, residual support = 99.7: * O HA ARG+ 22 - HG2 ARG+ 22 100.000% *100.0000% (0.76 10.0 6.56 99.72) = 100.000% kept Peak 4200 (1.43, 1.43, 26.34 ppm): 1 diagonal assignment: * HG3 ARG+ 22 - HG3 ARG+ 22 (0.97) kept Peak 4201 (1.65, 1.64, 26.34 ppm): 1 diagonal assignment: * HG2 ARG+ 22 - HG2 ARG+ 22 (0.99) kept Peak 4202 (4.79, 1.62, 28.17 ppm): 8 chemical-shift based assignments, quality = 0.822, support = 5.35, residual support = 118.5: * O HA LEU 23 - HG LEU 23 12.500% * 98.6025% (0.83 10.0 5.43 120.20) = 98.602% kept HA LEU 23 - HB VAL 122 12.500% * 1.0808% (0.72 1.0 0.25 0.02) = 1.081% kept HA ASN 15 - HG LEU 23 12.500% * 0.0764% (0.64 1.0 0.02 0.02) = 0.076% HA ASN 15 - HB VAL 122 12.500% * 0.0666% (0.56 1.0 0.02 0.02) = 0.067% HA GLU- 18 - HG LEU 23 12.500% * 0.0485% (0.41 1.0 0.02 0.02) = 0.049% HB THR 39 - HG LEU 23 12.500% * 0.0443% (0.37 1.0 0.02 0.02) = 0.044% HA GLU- 18 - HB VAL 122 12.500% * 0.0423% (0.35 1.0 0.02 0.02) = 0.042% HB THR 39 - HB VAL 122 12.500% * 0.0386% (0.32 1.0 0.02 0.02) = 0.039% Peak 4203 (5.21, 3.29, 42.19 ppm): 1 chemical-shift based assignment, quality = 0.448, support = 5.26, residual support = 99.7: * HA ARG+ 22 - HD3 ARG+ 22 100.000% *100.0000% (0.45 5.26 99.72) = 100.000% kept Peak 4204 (9.32, 3.29, 42.19 ppm): 2 chemical-shift based assignments, quality = 0.422, support = 4.13, residual support = 28.5: HN ILE 29 - HD3 ARG+ 22 50.000% * 60.7385% (0.57 3.10 20.80) = 60.738% kept * HN LEU 23 - HD3 ARG+ 22 50.000% * 39.2615% (0.20 5.73 40.42) = 39.262% kept Peak 4205 (3.29, 3.29, 42.19 ppm): 1 diagonal assignment: * HD3 ARG+ 22 - HD3 ARG+ 22 (1.00) kept Peak 4206 (8.45, 3.29, 42.19 ppm): 6 chemical-shift based assignments, quality = 0.431, support = 0.281, residual support = 0.0861: HN GLY 92 - HD3 ARG+ 22 16.667% * 61.6803% (0.41 0.37 0.13) = 61.680% kept HN LYS+ 113 - HD3 ARG+ 22 16.667% * 17.3944% (0.15 0.28 0.02) = 17.394% kept HN LEU 74 - HD3 ARG+ 22 16.667% * 8.1043% (1.00 0.02 0.02) = 8.104% kept HN GLU- 107 - HD3 ARG+ 22 16.667% * 5.2427% (0.65 0.02 0.02) = 5.243% kept HN ARG+ 53 - HD3 ARG+ 22 16.667% * 3.9448% (0.49 0.02 0.02) = 3.945% kept HN CYS 123 - HD3 ARG+ 22 16.667% * 3.6334% (0.45 0.02 0.02) = 3.633% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 4207 (3.29, 1.64, 26.34 ppm): 4 chemical-shift based assignments, quality = 0.995, support = 5.68, residual support = 97.8: * O HD3 ARG+ 22 - HG2 ARG+ 22 25.000% * 98.0718% (1.00 10.0 5.79 99.72) = 98.072% kept HD3 ARG+ 53 - HG2 ARG+ 22 25.000% * 1.7364% (0.84 1.0 0.42 0.02) = 1.736% kept HD2 PRO 52 - HG2 ARG+ 22 25.000% * 0.0972% (0.99 1.0 0.02 0.02) = 0.097% HE3 LYS+ 63 - HG2 ARG+ 22 25.000% * 0.0946% (0.97 1.0 0.02 0.02) = 0.095% Peak 4208 (3.29, 1.43, 26.34 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 4.23, residual support = 97.6: * O HD3 ARG+ 22 - HG3 ARG+ 22 25.000% * 97.8596% (1.00 10.0 4.31 99.72) = 97.860% kept HD3 ARG+ 53 - HG3 ARG+ 22 25.000% * 1.6848% (0.84 1.0 0.41 0.02) = 1.685% kept HE3 LYS+ 63 - HG3 ARG+ 22 25.000% * 0.3586% (0.97 1.0 0.08 0.02) = 0.359% HD2 PRO 52 - HG3 ARG+ 22 25.000% * 0.0970% (0.99 1.0 0.02 0.02) = 0.097% Peak 4209 (8.07, 1.97, 32.81 ppm): 30 chemical-shift based assignments, quality = 0.223, support = 1.54, residual support = 6.23: O HN MET 118 - HB3 MET 118 3.333% * 38.2673% (0.13 10.0 1.68 3.77) = 38.267% kept O HN GLU- 75 - HB2 GLU- 75 3.333% * 17.5197% (0.05 10.0 2.00 24.11) = 17.520% kept HN ASN 15 - HB VAL 13 3.333% * 10.4498% (0.44 1.0 1.32 0.52) = 10.450% kept HN LYS+ 110 - HB VAL 13 3.333% * 10.2845% (0.31 1.0 1.86 4.14) = 10.285% kept HN MET 118 - HB VAL 13 3.333% * 9.4565% (0.50 1.0 1.06 0.44) = 9.456% kept HN GLU- 75 - HB VAL 13 3.333% * 7.0949% (0.35 1.0 1.13 0.56) = 7.095% kept HN CYS 121 - HB VAL 13 3.333% * 4.7932% (0.31 1.0 0.87 0.14) = 4.793% kept HN MET 118 - HB2 PRO 35 3.333% * 0.2639% (0.74 1.0 0.02 0.02) = 0.264% HN ASN 15 - HB2 PRO 35 3.333% * 0.2335% (0.65 1.0 0.02 0.02) = 0.234% HN MET 118 - HB3 LYS+ 55 3.333% * 0.1909% (0.54 1.0 0.02 0.02) = 0.191% HN GLU- 75 - HB2 PRO 35 3.333% * 0.1849% (0.52 1.0 0.02 0.02) = 0.185% HN ASN 15 - HB3 LYS+ 55 3.333% * 0.1690% (0.47 1.0 0.02 0.02) = 0.169% HN LYS+ 110 - HB2 PRO 35 3.333% * 0.1633% (0.46 1.0 0.02 0.02) = 0.163% HN CYS 121 - HB2 PRO 35 3.333% * 0.1633% (0.46 1.0 0.02 0.02) = 0.163% HN CYS 121 - HB2 GLU- 75 3.333% * 0.1415% (0.04 1.0 0.18 0.02) = 0.142% HN GLU- 75 - HB3 LYS+ 55 3.333% * 0.1338% (0.38 1.0 0.02 0.02) = 0.134% HN CYS 121 - HB3 LYS+ 55 3.333% * 0.1181% (0.33 1.0 0.02 0.02) = 0.118% HN LYS+ 110 - HB3 LYS+ 55 3.333% * 0.1181% (0.33 1.0 0.02 0.02) = 0.118% HN ASN 15 - HB3 MET 118 3.333% * 0.0402% (0.11 1.0 0.02 0.02) = 0.040% HN GLU- 75 - HB3 MET 118 3.333% * 0.0319% (0.09 1.0 0.02 0.02) = 0.032% HN CYS 121 - HB3 MET 118 3.333% * 0.0281% (0.08 1.0 0.02 0.02) = 0.028% HN LYS+ 110 - HB3 MET 118 3.333% * 0.0281% (0.08 1.0 0.02 0.02) = 0.028% HN MET 118 - HB2 GLU- 75 3.333% * 0.0250% (0.07 1.0 0.02 0.02) = 0.025% HN ASN 15 - HB2 GLU- 75 3.333% * 0.0222% (0.06 1.0 0.02 0.02) = 0.022% HN MET 118 - HB2 PRO 116 3.333% * 0.0164% (0.05 1.0 0.02 0.02) = 0.016% HN LYS+ 110 - HB2 GLU- 75 3.333% * 0.0155% (0.04 1.0 0.02 0.02) = 0.015% HN ASN 15 - HB2 PRO 116 3.333% * 0.0145% (0.04 1.0 0.02 0.02) = 0.014% HN GLU- 75 - HB2 PRO 116 3.333% * 0.0115% (0.03 1.0 0.02 0.02) = 0.011% HN LYS+ 110 - HB2 PRO 116 3.333% * 0.0101% (0.03 1.0 0.02 0.02) = 0.010% HN CYS 121 - HB2 PRO 116 3.333% * 0.0101% (0.03 1.0 0.02 0.02) = 0.010% Reference assignment not found: HN MET 118 - HB3 LYS+ 117 Peak 4210 (8.42, 1.97, 32.81 ppm): 18 chemical-shift based assignments, quality = 0.19, support = 1.06, residual support = 2.01: O HN LYS+ 117 - HB2 PRO 116 5.556% * 52.6729% (0.05 10.0 1.55 3.61) = 52.673% kept HN LYS+ 117 - HB VAL 13 5.556% * 21.5769% (0.50 1.0 0.58 0.02) = 21.577% kept HN LYS+ 117 - HB3 MET 118 5.556% * 8.8557% (0.13 1.0 0.94 0.83) = 8.856% kept HN ARG+ 53 - HB3 LYS+ 55 5.556% * 8.8104% (0.31 1.0 0.38 0.34) = 8.810% kept HN CYS 123 - HB3 LYS+ 55 5.556% * 3.4467% (0.33 1.0 0.14 0.02) = 3.447% kept HN LYS+ 117 - HB2 PRO 35 5.556% * 1.0991% (0.74 1.0 0.02 0.02) = 1.099% kept HN LYS+ 117 - HB3 LYS+ 55 5.556% * 0.7951% (0.54 1.0 0.02 0.02) = 0.795% HN CYS 123 - HB2 PRO 35 5.556% * 0.6801% (0.46 1.0 0.02 0.02) = 0.680% HN ARG+ 53 - HB2 PRO 35 5.556% * 0.6348% (0.43 1.0 0.02 0.02) = 0.635% HN CYS 123 - HB VAL 13 5.556% * 0.4610% (0.31 1.0 0.02 0.02) = 0.461% HN ARG+ 53 - HB VAL 13 5.556% * 0.4303% (0.29 1.0 0.02 0.02) = 0.430% HN CYS 123 - HB3 MET 118 5.556% * 0.1172% (0.08 1.0 0.02 0.02) = 0.117% HN ARG+ 53 - HB3 MET 118 5.556% * 0.1094% (0.07 1.0 0.02 0.02) = 0.109% HN LYS+ 117 - HB2 GLU- 75 5.556% * 0.1042% (0.07 1.0 0.02 0.02) = 0.104% HN CYS 123 - HB2 GLU- 75 5.556% * 0.0645% (0.04 1.0 0.02 0.02) = 0.065% HN ARG+ 53 - HB2 GLU- 75 5.556% * 0.0602% (0.04 1.0 0.02 0.02) = 0.060% HN CYS 123 - HB2 PRO 116 5.556% * 0.0421% (0.03 1.0 0.02 0.02) = 0.042% HN ARG+ 53 - HB2 PRO 116 5.556% * 0.0393% (0.03 1.0 0.02 0.02) = 0.039% Reference assignment not found: HN LYS+ 117 - HB3 LYS+ 117 Not enough quality. Peak unassigned. Peak 4211 (8.07, 4.22, 56.96 ppm): 42 chemical-shift based assignments, quality = 0.388, support = 2.04, residual support = 12.0: O HN GLU- 75 - HA GLU- 75 2.381% * 49.1434% (0.15 10.0 3.39 24.11) = 49.143% kept HN LYS+ 110 - HA LYS+ 108 2.381% * 11.1617% (0.52 1.0 1.26 0.39) = 11.162% kept HN MET 118 - HA GLU- 12 2.381% * 9.9355% (0.78 1.0 0.75 0.65) = 9.935% kept HN LYS+ 110 - HA GLU- 12 2.381% * 8.9643% (0.78 1.0 0.68 0.02) = 8.964% kept HN ASN 15 - HA GLU- 12 2.381% * 7.2517% (0.61 1.0 0.71 1.19) = 7.252% kept HN GLU- 75 - HA ASP- 82 2.381% * 4.7141% (0.36 1.0 0.76 0.02) = 4.714% kept HN GLU- 75 - HA GLU- 12 2.381% * 3.1373% (0.84 1.0 0.22 0.02) = 3.137% kept HN CYS 121 - HA GLU- 12 2.381% * 2.7711% (0.78 1.0 0.21 0.02) = 2.771% kept HN GLU- 75 - HA LYS+ 108 2.381% * 0.1896% (0.56 1.0 0.02 0.02) = 0.190% HN GLU- 75 - HA GLU- 10 2.381% * 0.1864% (0.55 1.0 0.02 0.02) = 0.186% HN CYS 121 - HA LYS+ 108 2.381% * 0.1766% (0.52 1.0 0.02 0.02) = 0.177% HN MET 118 - HA LYS+ 108 2.381% * 0.1766% (0.52 1.0 0.02 0.02) = 0.177% HN MET 118 - HA GLU- 10 2.381% * 0.1736% (0.51 1.0 0.02 0.02) = 0.174% HN CYS 121 - HA GLU- 10 2.381% * 0.1736% (0.51 1.0 0.02 0.02) = 0.174% HN LYS+ 110 - HA GLU- 10 2.381% * 0.1736% (0.51 1.0 0.02 0.02) = 0.174% HN ASN 15 - HA LYS+ 108 2.381% * 0.1367% (0.40 1.0 0.02 0.02) = 0.137% HN ASN 15 - HA GLU- 10 2.381% * 0.1344% (0.40 1.0 0.02 0.02) = 0.134% HN LYS+ 110 - HA ASP- 82 2.381% * 0.1148% (0.34 1.0 0.02 0.02) = 0.115% HN CYS 121 - HA ASP- 82 2.381% * 0.1148% (0.34 1.0 0.02 0.02) = 0.115% HN MET 118 - HA ASP- 82 2.381% * 0.1148% (0.34 1.0 0.02 0.02) = 0.115% HN ASN 15 - HA ASP- 82 2.381% * 0.0889% (0.26 1.0 0.02 0.02) = 0.089% HN VAL 122 - HA GLU- 12 2.381% * 0.0792% (0.23 1.0 0.02 0.02) = 0.079% HN GLU- 75 - HA GLU- 107 2.381% * 0.0720% (0.21 1.0 0.02 0.02) = 0.072% HN CYS 121 - HA GLU- 107 2.381% * 0.0671% (0.20 1.0 0.02 0.02) = 0.067% HN MET 118 - HA GLU- 107 2.381% * 0.0671% (0.20 1.0 0.02 0.02) = 0.067% HN LYS+ 110 - HA GLU- 107 2.381% * 0.0671% (0.20 1.0 0.02 0.02) = 0.067% HN VAL 122 - HA LYS+ 108 2.381% * 0.0527% (0.16 1.0 0.02 0.02) = 0.053% HN ASN 15 - HA GLU- 107 2.381% * 0.0520% (0.15 1.0 0.02 0.02) = 0.052% HN VAL 122 - HA GLU- 10 2.381% * 0.0518% (0.15 1.0 0.02 0.02) = 0.052% HN CYS 121 - HA GLU- 75 2.381% * 0.0458% (0.14 1.0 0.02 0.02) = 0.046% HN LYS+ 110 - HA GLU- 75 2.381% * 0.0458% (0.14 1.0 0.02 0.02) = 0.046% HN MET 118 - HA GLU- 75 2.381% * 0.0458% (0.14 1.0 0.02 0.02) = 0.046% HN GLU- 75 - HA GLU- 64 2.381% * 0.0453% (0.13 1.0 0.02 0.02) = 0.045% HN CYS 121 - HA GLU- 64 2.381% * 0.0422% (0.12 1.0 0.02 0.02) = 0.042% HN MET 118 - HA GLU- 64 2.381% * 0.0422% (0.12 1.0 0.02 0.02) = 0.042% HN LYS+ 110 - HA GLU- 64 2.381% * 0.0422% (0.12 1.0 0.02 0.02) = 0.042% HN ASN 15 - HA GLU- 75 2.381% * 0.0354% (0.10 1.0 0.02 0.02) = 0.035% HN VAL 122 - HA ASP- 82 2.381% * 0.0343% (0.10 1.0 0.02 0.02) = 0.034% HN ASN 15 - HA GLU- 64 2.381% * 0.0327% (0.10 1.0 0.02 0.02) = 0.033% HN VAL 122 - HA GLU- 107 2.381% * 0.0200% (0.06 1.0 0.02 0.02) = 0.020% HN VAL 122 - HA GLU- 75 2.381% * 0.0137% (0.04 1.0 0.02 0.02) = 0.014% HN VAL 122 - HA GLU- 64 2.381% * 0.0126% (0.04 1.0 0.02 0.02) = 0.013% Reference assignment not found: HN MET 118 - HA LYS+ 117 Peak 4212 (4.23, 1.96, 32.85 ppm): 84 chemical-shift based assignments, quality = 0.392, support = 1.33, residual support = 3.93: T HA GLU- 12 - HB VAL 13 1.190% * 56.6015% (0.54 1.0 10.00 1.32 1.35) = 56.601% kept O T HA LYS+ 108 - HB2 LYS+ 108 1.190% * 13.3171% (0.08 10.0 10.00 2.39 13.53) = 13.317% kept HA GLU- 54 - HB3 LYS+ 55 1.190% * 9.1952% (0.57 1.0 1.00 2.04 12.25) = 9.195% kept T HA GLU- 107 - HB2 LYS+ 108 1.190% * 3.8607% (0.03 1.0 10.00 1.94 5.96) = 3.861% kept T HA GLU- 10 - HB2 PRO 35 1.190% * 1.1391% (0.72 1.0 10.00 0.02 0.02) = 1.139% kept T HA LYS+ 108 - HB2 PRO 35 1.190% * 1.1391% (0.72 1.0 10.00 0.02 0.02) = 1.139% kept T HA GLU- 12 - HB2 PRO 35 1.190% * 1.0422% (0.66 1.0 10.00 0.02 0.02) = 1.042% kept T HA GLU- 10 - HB VAL 13 1.190% * 0.9339% (0.59 1.0 10.00 0.02 0.02) = 0.934% T HA LYS+ 108 - HB VAL 13 1.190% * 0.9339% (0.59 1.0 10.00 0.02 0.02) = 0.934% T HA GLU- 10 - HB3 LYS+ 55 1.190% * 0.8994% (0.57 1.0 10.00 0.02 0.02) = 0.899% T HA LYS+ 108 - HB3 LYS+ 55 1.190% * 0.8994% (0.57 1.0 10.00 0.02 0.02) = 0.899% T HA GLU- 12 - HB3 LYS+ 55 1.190% * 0.8229% (0.52 1.0 10.00 0.02 0.02) = 0.823% HA GLU- 109 - HB2 LYS+ 108 1.190% * 0.7307% (0.10 1.0 1.00 0.94 4.61) = 0.731% T HB3 SER 49 - HB2 PRO 35 1.190% * 0.6638% (0.42 1.0 10.00 0.02 0.02) = 0.664% T HB3 SER 49 - HB VAL 13 1.190% * 0.5442% (0.34 1.0 10.00 0.02 0.02) = 0.544% HA ALA 11 - HB VAL 13 1.190% * 0.4523% (0.24 1.0 1.00 0.24 0.02) = 0.452% T HA ASP- 82 - HB2 PRO 35 1.190% * 0.4209% (0.27 1.0 10.00 0.02 0.02) = 0.421% T HA ASN 76 - HB2 PRO 35 1.190% * 0.3792% (0.24 1.0 10.00 0.02 0.02) = 0.379% T HA ASP- 82 - HB VAL 13 1.190% * 0.3451% (0.22 1.0 10.00 0.02 0.02) = 0.345% T HA ASN 119 - HB2 PRO 35 1.190% * 0.3401% (0.21 1.0 10.00 0.02 0.02) = 0.340% T HA GLU- 107 - HB2 PRO 35 1.190% * 0.3401% (0.21 1.0 10.00 0.02 0.02) = 0.340% T HA ASP- 82 - HB3 LYS+ 55 1.190% * 0.3323% (0.21 1.0 10.00 0.02 0.12) = 0.332% T HA ASN 76 - HB VAL 13 1.190% * 0.3109% (0.20 1.0 10.00 0.02 0.02) = 0.311% T HA ASN 76 - HB3 LYS+ 55 1.190% * 0.2994% (0.19 1.0 10.00 0.02 0.02) = 0.299% T HA GLU- 107 - HB VAL 13 1.190% * 0.2788% (0.18 1.0 10.00 0.02 0.02) = 0.279% T HA ASN 119 - HB VAL 13 1.190% * 0.2788% (0.18 1.0 10.00 0.02 0.32) = 0.279% T HA GLU- 107 - HB3 LYS+ 55 1.190% * 0.2685% (0.17 1.0 10.00 0.02 0.02) = 0.268% T HA ASN 119 - HB3 LYS+ 55 1.190% * 0.2685% (0.17 1.0 10.00 0.02 0.02) = 0.268% HA SER 49 - HB2 PRO 35 1.190% * 0.1352% (0.85 1.0 1.00 0.02 0.02) = 0.135% HA GLU- 109 - HB2 PRO 35 1.190% * 0.1337% (0.84 1.0 1.00 0.02 0.02) = 0.134% T HA GLU- 10 - HB2 LYS+ 108 1.190% * 0.1332% (0.08 1.0 10.00 0.02 0.02) = 0.133% HA ALA 42 - HB2 PRO 35 1.190% * 0.1316% (0.83 1.0 1.00 0.02 0.02) = 0.132% T HA GLU- 12 - HB2 LYS+ 108 1.190% * 0.1218% (0.08 1.0 10.00 0.02 0.02) = 0.122% T HA GLU- 10 - HB2 GLU- 75 1.190% * 0.1148% (0.07 1.0 10.00 0.02 0.02) = 0.115% T HA LYS+ 108 - HB2 GLU- 75 1.190% * 0.1148% (0.07 1.0 10.00 0.02 0.02) = 0.115% HA GLU- 54 - HB2 PRO 35 1.190% * 0.1139% (0.72 1.0 1.00 0.02 0.02) = 0.114% HA SER 49 - HB VAL 13 1.190% * 0.1108% (0.70 1.0 1.00 0.02 0.02) = 0.111% HA GLU- 109 - HB VAL 13 1.190% * 0.1096% (0.69 1.0 1.00 0.02 0.02) = 0.110% HA ALA 42 - HB VAL 13 1.190% * 0.1079% (0.68 1.0 1.00 0.02 0.02) = 0.108% HA SER 49 - HB3 LYS+ 55 1.190% * 0.1067% (0.67 1.0 1.00 0.02 0.02) = 0.107% HA GLU- 109 - HB3 LYS+ 55 1.190% * 0.1055% (0.67 1.0 1.00 0.02 0.02) = 0.106% T HA GLU- 12 - HB2 GLU- 75 1.190% * 0.1051% (0.07 1.0 10.00 0.02 0.02) = 0.105% HA ALA 42 - HB3 LYS+ 55 1.190% * 0.1039% (0.65 1.0 1.00 0.02 0.02) = 0.104% HA GLU- 54 - HB VAL 13 1.190% * 0.0934% (0.59 1.0 1.00 0.02 0.02) = 0.093% T HB3 SER 49 - HB2 LYS+ 108 1.190% * 0.0776% (0.05 1.0 10.00 0.02 0.02) = 0.078% HA PRO 59 - HB2 PRO 35 1.190% * 0.0772% (0.49 1.0 1.00 0.02 0.02) = 0.077% HA PRO 59 - HB VAL 13 1.190% * 0.0633% (0.40 1.0 1.00 0.02 0.16) = 0.063% HA PRO 59 - HB3 LYS+ 55 1.190% * 0.0610% (0.38 1.0 1.00 0.02 0.02) = 0.061% T HA GLU- 10 - HB2 PRO 116 1.190% * 0.0606% (0.04 1.0 10.00 0.02 0.02) = 0.061% T HA LYS+ 108 - HB2 PRO 116 1.190% * 0.0606% (0.04 1.0 10.00 0.02 0.02) = 0.061% T HA GLU- 12 - HB2 PRO 116 1.190% * 0.0554% (0.03 1.0 10.00 0.02 0.02) = 0.055% HB3 SER 49 - HB3 LYS+ 55 1.190% * 0.0524% (0.33 1.0 1.00 0.02 0.02) = 0.052% T HA ASP- 82 - HB2 LYS+ 108 1.190% * 0.0492% (0.03 1.0 10.00 0.02 0.02) = 0.049% HA ALA 11 - HB2 PRO 35 1.190% * 0.0465% (0.29 1.0 1.00 0.02 0.02) = 0.047% T HA ASN 76 - HB2 LYS+ 108 1.190% * 0.0443% (0.03 1.0 10.00 0.02 0.02) = 0.044% T HA ASP- 82 - HB2 GLU- 75 1.190% * 0.0424% (0.03 1.0 10.00 0.02 0.02) = 0.042% T HA ASN 119 - HB2 LYS+ 108 1.190% * 0.0398% (0.03 1.0 10.00 0.02 0.02) = 0.040% T HA ASN 76 - HB2 GLU- 75 1.190% * 0.0382% (0.02 1.0 10.00 0.02 0.02) = 0.038% HA ALA 11 - HB3 LYS+ 55 1.190% * 0.0367% (0.23 1.0 1.00 0.02 0.02) = 0.037% T HA GLU- 107 - HB2 GLU- 75 1.190% * 0.0343% (0.02 1.0 10.00 0.02 0.02) = 0.034% T HA ASN 119 - HB2 GLU- 75 1.190% * 0.0343% (0.02 1.0 10.00 0.02 0.02) = 0.034% T HA ASP- 82 - HB2 PRO 116 1.190% * 0.0224% (0.01 1.0 10.00 0.02 0.02) = 0.022% T HA ASN 76 - HB2 PRO 116 1.190% * 0.0202% (0.01 1.0 10.00 0.02 0.02) = 0.020% T HA GLU- 107 - HB2 PRO 116 1.190% * 0.0181% (0.01 1.0 10.00 0.02 0.02) = 0.018% T HA ASN 119 - HB2 PRO 116 1.190% * 0.0181% (0.01 1.0 10.00 0.02 0.02) = 0.018% HA SER 49 - HB2 LYS+ 108 1.190% * 0.0158% (0.10 1.0 1.00 0.02 0.02) = 0.016% HA ALA 42 - HB2 LYS+ 108 1.190% * 0.0154% (0.10 1.0 1.00 0.02 0.02) = 0.015% HA SER 49 - HB2 GLU- 75 1.190% * 0.0136% (0.09 1.0 1.00 0.02 0.02) = 0.014% HA GLU- 109 - HB2 GLU- 75 1.190% * 0.0135% (0.08 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 54 - HB2 LYS+ 108 1.190% * 0.0133% (0.08 1.0 1.00 0.02 0.02) = 0.013% HA ALA 42 - HB2 GLU- 75 1.190% * 0.0133% (0.08 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 54 - HB2 GLU- 75 1.190% * 0.0115% (0.07 1.0 1.00 0.02 0.02) = 0.011% HA PRO 59 - HB2 LYS+ 108 1.190% * 0.0090% (0.06 1.0 1.00 0.02 0.17) = 0.009% HA PRO 59 - HB2 GLU- 75 1.190% * 0.0078% (0.05 1.0 1.00 0.02 0.22) = 0.008% HA SER 49 - HB2 PRO 116 1.190% * 0.0072% (0.05 1.0 1.00 0.02 0.02) = 0.007% HA GLU- 109 - HB2 PRO 116 1.190% * 0.0071% (0.04 1.0 1.00 0.02 0.02) = 0.007% HA ALA 42 - HB2 PRO 116 1.190% * 0.0070% (0.04 1.0 1.00 0.02 0.02) = 0.007% HB3 SER 49 - HB2 GLU- 75 1.190% * 0.0067% (0.04 1.0 1.00 0.02 0.02) = 0.007% HA GLU- 54 - HB2 PRO 116 1.190% * 0.0061% (0.04 1.0 1.00 0.02 0.02) = 0.006% HA ALA 11 - HB2 LYS+ 108 1.190% * 0.0054% (0.03 1.0 1.00 0.02 0.02) = 0.005% HA ALA 11 - HB2 GLU- 75 1.190% * 0.0047% (0.03 1.0 1.00 0.02 0.02) = 0.005% HA PRO 59 - HB2 PRO 116 1.190% * 0.0041% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 SER 49 - HB2 PRO 116 1.190% * 0.0035% (0.02 1.0 1.00 0.02 0.02) = 0.004% HA ALA 11 - HB2 PRO 116 1.190% * 0.0025% (0.02 1.0 1.00 0.02 0.02) = 0.002% Reference assignment not found: HA LYS+ 117 - HB3 LYS+ 117 Peak 4213 (4.21, 2.03, 29.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA LYS+ 117 - HD3 LYS+ 117 Peak unassigned. Peak 4214 (2.33, 2.32, 32.25 ppm): 2 diagonal assignments: HB3 PRO 86 - HB3 PRO 86 (0.85) kept * HB3 PRO 116 - HB3 PRO 116 (0.07) kept Peak 4215 (2.14, 2.14, 27.70 ppm): 2 diagonal assignments: HG2 PRO 112 - HG2 PRO 112 (0.38) kept HG2 PRO 104 - HG2 PRO 104 (0.06) kept Peak 4216 (8.89, 2.58, 32.91 ppm): 3 chemical-shift based assignments, quality = 0.788, support = 4.62, residual support = 16.6: * O HN ASP- 36 - HB3 PRO 35 33.333% * 99.9205% (0.79 10.0 4.62 16.61) = 99.921% kept HN GLN 102 - HB3 PRO 35 33.333% * 0.0434% (0.34 1.0 0.02 0.02) = 0.043% HN ILE 68 - HB3 PRO 35 33.333% * 0.0360% (0.28 1.0 0.02 0.02) = 0.036% Peak 4217 (4.68, 2.14, 27.70 ppm): 12 chemical-shift based assignments, quality = 0.352, support = 0.918, residual support = 0.987: HA PRO 35 - HG2 PRO 112 8.333% * 56.7648% (0.34 1.35 1.64) = 56.765% kept HA TYR 83 - HG2 PRO 112 8.333% * 20.6474% (0.40 0.42 0.24) = 20.647% kept HA ASN 89 - HG2 PRO 112 8.333% * 16.9229% (0.40 0.34 0.02) = 16.923% kept HA TYR 83 - HG2 PRO 104 8.333% * 3.3589% (0.20 0.14 0.02) = 3.359% kept HA LYS+ 120 - HG2 PRO 112 8.333% * 0.5279% (0.22 0.02 0.02) = 0.528% HA ASN 89 - HG2 PRO 104 8.333% * 0.4902% (0.20 0.02 0.02) = 0.490% HA PRO 35 - HG2 PRO 104 8.333% * 0.4177% (0.17 0.02 0.02) = 0.418% HA LYS+ 120 - HG2 PRO 104 8.333% * 0.2631% (0.11 0.02 0.02) = 0.263% HA GLN 16 - HG2 PRO 112 8.333% * 0.2502% (0.10 0.02 0.02) = 0.250% HA VAL 99 - HG2 PRO 112 8.333% * 0.1548% (0.06 0.02 0.02) = 0.155% HA GLN 16 - HG2 PRO 104 8.333% * 0.1247% (0.05 0.02 0.02) = 0.125% HA VAL 99 - HG2 PRO 104 8.333% * 0.0772% (0.03 0.02 0.02) = 0.077% Peak 4218 (0.29, 1.87, 50.27 ppm): 2 chemical-shift based assignments, quality = 0.994, support = 1.44, residual support = 1.71: QG1 VAL 122 - HD3 PRO 52 50.000% * 50.0937% (1.00 1.43 1.73) = 50.094% kept * QD2 LEU 23 - HD3 PRO 52 50.000% * 49.9063% (0.99 1.44 1.68) = 49.906% kept Peak 4219 (0.84, 1.87, 50.27 ppm): 9 chemical-shift based assignments, quality = 0.834, support = 2.52, residual support = 5.92: QG1 VAL 13 - HD3 PRO 52 11.111% * 37.6776% (0.87 3.52 8.41) = 37.678% kept * QD1 ILE 29 - HD3 PRO 52 11.111% * 27.5664% (0.87 2.58 3.61) = 27.566% kept QG2 VAL 13 - HD3 PRO 52 11.111% * 18.1853% (0.94 1.56 8.41) = 18.185% kept QD2 LEU 17 - HD3 PRO 52 11.111% * 8.8055% (0.37 1.90 2.64) = 8.805% kept HG2 LYS+ 117 - HD3 PRO 52 11.111% * 4.7151% (0.99 0.39 0.02) = 4.715% kept QG1 VAL 94 - HD3 PRO 52 11.111% * 2.8652% (0.61 0.38 0.02) = 2.865% kept QD2 LEU 90 - HD3 PRO 52 11.111% * 0.0685% (0.28 0.02 2.38) = 0.069% QD1 LEU 90 - HD3 PRO 52 11.111% * 0.0615% (0.25 0.02 2.38) = 0.061% QG2 ILE 100 - HD3 PRO 52 11.111% * 0.0549% (0.22 0.02 0.02) = 0.055% Peak 4220 (2.21, 3.27, 50.25 ppm): 13 chemical-shift based assignments, quality = 0.461, support = 4.89, residual support = 111.2: O T HB2 PRO 52 - HD2 PRO 52 7.692% * 92.6685% (0.45 10.0 10.00 5.25 119.95) = 92.669% kept HB2 GLU- 50 - HD2 PRO 52 7.692% * 3.4838% (0.62 1.0 1.00 0.55 0.30) = 3.484% kept HG2 PRO 112 - HD2 PRO 52 7.692% * 1.6708% (0.66 1.0 1.00 0.25 0.02) = 1.671% kept HA1 GLY 58 - HD2 PRO 52 7.692% * 1.4270% (0.65 1.0 1.00 0.21 0.02) = 1.427% kept HG3 MET 126 - HD2 PRO 52 7.692% * 0.1346% (0.66 1.0 1.00 0.02 0.02) = 0.135% HG3 MET 97 - HD2 PRO 52 7.692% * 0.1337% (0.65 1.0 1.00 0.02 0.02) = 0.134% HG3 GLU- 18 - HD2 PRO 52 7.692% * 0.1210% (0.59 1.0 1.00 0.02 0.02) = 0.121% HG3 GLN 102 - HD2 PRO 52 7.692% * 0.1080% (0.53 1.0 1.00 0.02 0.02) = 0.108% HG3 GLU- 109 - HD2 PRO 52 7.692% * 0.0927% (0.45 1.0 1.00 0.02 0.02) = 0.093% HG2 MET 126 - HD2 PRO 52 7.692% * 0.0657% (0.32 1.0 1.00 0.02 0.02) = 0.066% HB3 GLU- 45 - HD2 PRO 52 7.692% * 0.0375% (0.18 1.0 1.00 0.02 0.02) = 0.038% HG3 GLN 16 - HD2 PRO 52 7.692% * 0.0300% (0.15 1.0 1.00 0.02 0.12) = 0.030% HG3 GLU- 10 - HD2 PRO 52 7.692% * 0.0267% (0.13 1.0 1.00 0.02 0.02) = 0.027% Peak 4221 (3.29, 1.87, 50.25 ppm): 4 chemical-shift based assignments, quality = 0.974, support = 4.18, residual support = 111.3: * O T HD2 PRO 52 - HD3 PRO 52 25.000% * 91.5011% (0.99 10.0 10.00 4.43 119.95) = 91.501% kept HD3 ARG+ 53 - HD3 PRO 52 25.000% * 6.4975% (0.76 1.0 1.00 1.86 23.29) = 6.497% kept HD3 ARG+ 22 - HD3 PRO 52 25.000% * 1.9169% (0.98 1.0 1.00 0.42 0.02) = 1.917% kept HE3 LYS+ 63 - HD3 PRO 52 25.000% * 0.0845% (0.91 1.0 1.00 0.02 1.22) = 0.084% Peak 4222 (1.70, 1.87, 50.25 ppm): 5 chemical-shift based assignments, quality = 0.715, support = 4.96, residual support = 117.0: * O HG2 PRO 52 - HD3 PRO 52 20.000% * 97.5515% (0.72 10.0 5.07 119.95) = 97.552% kept HB2 GLN 16 - HD3 PRO 52 20.000% * 2.2914% (0.60 1.0 0.56 0.12) = 2.291% kept HG13 ILE 19 - HD3 PRO 52 20.000% * 0.0761% (0.56 1.0 0.02 0.02) = 0.076% HD3 LYS+ 55 - HD3 PRO 52 20.000% * 0.0602% (0.44 1.0 0.02 2.54) = 0.060% HB3 LYS+ 81 - HD3 PRO 52 20.000% * 0.0207% (0.15 1.0 0.02 0.02) = 0.021% Peak 4223 (1.48, 1.87, 50.25 ppm): 9 chemical-shift based assignments, quality = 0.75, support = 4.5, residual support = 118.8: * O T HG3 PRO 52 - HD3 PRO 52 11.111% * 99.0462% (0.76 10.0 10.00 4.54 119.95) = 99.046% kept T HG2 PRO 59 - HD3 PRO 52 11.111% * 0.4421% (0.34 1.0 10.00 0.02 0.02) = 0.442% HB3 LYS+ 44 - HD3 PRO 52 11.111% * 0.1226% (0.94 1.0 1.00 0.02 0.02) = 0.123% QB ALA 70 - HD3 PRO 52 11.111% * 0.1196% (0.91 1.0 1.00 0.02 0.02) = 0.120% HB3 LEU 67 - HD3 PRO 52 11.111% * 0.1083% (0.83 1.0 1.00 0.02 0.14) = 0.108% HG13 ILE 48 - HD3 PRO 52 11.111% * 0.0682% (0.52 1.0 1.00 0.02 0.02) = 0.068% HG3 LYS+ 60 - HD3 PRO 52 11.111% * 0.0442% (0.34 1.0 1.00 0.02 0.02) = 0.044% HD3 LYS+ 108 - HD3 PRO 52 11.111% * 0.0289% (0.22 1.0 1.00 0.02 0.02) = 0.029% HB2 LYS+ 72 - HD3 PRO 52 11.111% * 0.0200% (0.15 1.0 1.00 0.02 0.02) = 0.020% Peak 4224 (1.47, 1.47, 27.63 ppm): 2 diagonal assignments: * HG3 PRO 52 - HG3 PRO 52 (1.00) kept HG2 PRO 59 - HG2 PRO 59 (0.16) kept Peak 4226 (1.47, 1.68, 27.63 ppm): 16 chemical-shift based assignments, quality = 0.92, support = 5.19, residual support = 115.4: * O T HG3 PRO 52 - HG2 PRO 52 6.250% * 96.2490% (0.96 10.0 10.00 5.39 119.95) = 96.249% kept HB3 LEU 67 - HG3 ARG+ 84 6.250% * 0.8589% (0.40 1.0 1.00 0.43 0.78) = 0.859% T HG3 LYS+ 60 - HG2 PRO 52 6.250% * 0.7356% (0.73 1.0 10.00 0.02 0.02) = 0.736% T HG2 PRO 59 - HG2 PRO 52 6.250% * 0.7356% (0.73 1.0 10.00 0.02 0.02) = 0.736% T HG3 PRO 52 - HG3 ARG+ 84 6.250% * 0.4046% (0.40 1.0 10.00 0.02 0.02) = 0.405% T HG3 LYS+ 60 - HG3 ARG+ 84 6.250% * 0.3092% (0.31 1.0 10.00 0.02 0.02) = 0.309% T HG2 PRO 59 - HG3 ARG+ 84 6.250% * 0.3092% (0.31 1.0 10.00 0.02 0.02) = 0.309% HB3 LEU 67 - HG2 PRO 52 6.250% * 0.0954% (0.95 1.0 1.00 0.02 0.14) = 0.095% HG13 ILE 48 - HG2 PRO 52 6.250% * 0.0888% (0.88 1.0 1.00 0.02 0.02) = 0.089% HB3 LYS+ 44 - HG2 PRO 52 6.250% * 0.0545% (0.54 1.0 1.00 0.02 0.02) = 0.054% QB ALA 70 - HG2 PRO 52 6.250% * 0.0506% (0.50 1.0 1.00 0.02 0.02) = 0.051% HG13 ILE 48 - HG3 ARG+ 84 6.250% * 0.0373% (0.37 1.0 1.00 0.02 0.02) = 0.037% HB3 LYS+ 44 - HG3 ARG+ 84 6.250% * 0.0229% (0.23 1.0 1.00 0.02 0.02) = 0.023% QB ALA 70 - HG3 ARG+ 84 6.250% * 0.0213% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG LEU 90 - HG2 PRO 52 6.250% * 0.0190% (0.19 1.0 1.00 0.02 2.38) = 0.019% HG LEU 90 - HG3 ARG+ 84 6.250% * 0.0080% (0.08 1.0 1.00 0.02 0.02) = 0.008% Peak 4227 (1.69, 1.68, 27.63 ppm): 1 diagonal assignment: * HG2 PRO 52 - HG2 PRO 52 (0.96) kept Peak 4228 (3.29, 1.68, 27.63 ppm): 8 chemical-shift based assignments, quality = 0.872, support = 4.8, residual support = 111.9: * O T HD2 PRO 52 - HG2 PRO 52 12.500% * 91.8090% (0.90 10.0 10.00 5.00 119.95) = 91.809% kept HD3 ARG+ 53 - HG2 PRO 52 12.500% * 7.7030% (0.54 1.0 1.00 2.80 23.29) = 7.703% kept HD3 ARG+ 22 - HG3 ARG+ 84 12.500% * 0.2339% (0.36 1.0 1.00 0.13 0.02) = 0.234% HD3 ARG+ 22 - HG2 PRO 52 12.500% * 0.0870% (0.86 1.0 1.00 0.02 0.02) = 0.087% HE3 LYS+ 63 - HG2 PRO 52 12.500% * 0.0742% (0.73 1.0 1.00 0.02 1.22) = 0.074% HD2 PRO 52 - HG3 ARG+ 84 12.500% * 0.0386% (0.38 1.0 1.00 0.02 0.02) = 0.039% HE3 LYS+ 63 - HG3 ARG+ 84 12.500% * 0.0312% (0.31 1.0 1.00 0.02 0.02) = 0.031% HD3 ARG+ 53 - HG3 ARG+ 84 12.500% * 0.0231% (0.23 1.0 1.00 0.02 0.02) = 0.023% Peak 4229 (2.23, 1.68, 27.63 ppm): 30 chemical-shift based assignments, quality = 0.856, support = 5.11, residual support = 101.1: * O HB2 PRO 52 - HG2 PRO 52 3.333% * 84.2914% (0.90 10.0 1.00 6.02 119.95) = 84.291% kept T HG3 GLN 16 - HG2 PRO 52 3.333% * 7.9051% (0.83 1.0 10.00 0.20 0.12) = 7.905% kept HB2 GLU- 50 - HG2 PRO 52 3.333% * 2.6949% (0.66 1.0 1.00 0.88 0.30) = 2.695% kept HG2 PRO 112 - HG2 PRO 52 3.333% * 1.1026% (0.95 1.0 1.00 0.25 0.02) = 1.103% kept T HG3 GLN 102 - HG2 PRO 52 3.333% * 0.7729% (0.83 1.0 10.00 0.02 0.02) = 0.773% HG2 PRO 112 - HG3 ARG+ 84 3.333% * 0.5839% (0.40 1.0 1.00 0.31 0.02) = 0.584% T HG3 MET 97 - HG2 PRO 52 3.333% * 0.5045% (0.54 1.0 10.00 0.02 0.02) = 0.504% T HG3 MET 126 - HG2 PRO 52 3.333% * 0.3995% (0.43 1.0 10.00 0.02 0.02) = 0.399% T HG3 GLN 102 - HG3 ARG+ 84 3.333% * 0.3249% (0.35 1.0 10.00 0.02 0.02) = 0.325% T HG3 GLN 16 - HG3 ARG+ 84 3.333% * 0.3249% (0.35 1.0 10.00 0.02 0.02) = 0.325% T HG3 MET 97 - HG3 ARG+ 84 3.333% * 0.2121% (0.23 1.0 10.00 0.02 0.02) = 0.212% T HG3 MET 126 - HG3 ARG+ 84 3.333% * 0.1679% (0.18 1.0 10.00 0.02 0.02) = 0.168% HG3 GLU- 109 - HG2 PRO 52 3.333% * 0.0843% (0.90 1.0 1.00 0.02 0.02) = 0.084% HB3 GLU- 45 - HG2 PRO 52 3.333% * 0.0823% (0.88 1.0 1.00 0.02 0.02) = 0.082% HG3 GLU- 10 - HG2 PRO 52 3.333% * 0.0744% (0.80 1.0 1.00 0.02 0.02) = 0.074% HG3 GLU- 18 - HG2 PRO 52 3.333% * 0.0681% (0.73 1.0 1.00 0.02 0.02) = 0.068% HB3 ASN 15 - HG2 PRO 52 3.333% * 0.0612% (0.66 1.0 1.00 0.02 0.02) = 0.061% HA1 GLY 58 - HG2 PRO 52 3.333% * 0.0504% (0.54 1.0 1.00 0.02 0.02) = 0.050% HG3 GLU- 109 - HG3 ARG+ 84 3.333% * 0.0354% (0.38 1.0 1.00 0.02 0.02) = 0.035% HB2 PRO 52 - HG3 ARG+ 84 3.333% * 0.0354% (0.38 1.0 1.00 0.02 0.02) = 0.035% HB3 GLU- 45 - HG3 ARG+ 84 3.333% * 0.0346% (0.37 1.0 1.00 0.02 0.02) = 0.035% HG3 GLU- 10 - HG3 ARG+ 84 3.333% * 0.0313% (0.34 1.0 1.00 0.02 0.02) = 0.031% HG3 GLU- 18 - HG3 ARG+ 84 3.333% * 0.0286% (0.31 1.0 1.00 0.02 3.02) = 0.029% HB2 GLU- 50 - HG3 ARG+ 84 3.333% * 0.0257% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB3 ASN 15 - HG3 ARG+ 84 3.333% * 0.0257% (0.28 1.0 1.00 0.02 0.02) = 0.026% HG3 GLU- 107 - HG2 PRO 52 3.333% * 0.0222% (0.24 1.0 1.00 0.02 0.02) = 0.022% HA1 GLY 58 - HG3 ARG+ 84 3.333% * 0.0212% (0.23 1.0 1.00 0.02 0.02) = 0.021% HG3 GLU- 54 - HG2 PRO 52 3.333% * 0.0176% (0.19 1.0 1.00 0.02 8.58) = 0.018% HG3 GLU- 107 - HG3 ARG+ 84 3.333% * 0.0093% (0.10 1.0 1.00 0.02 0.02) = 0.009% HG3 GLU- 54 - HG3 ARG+ 84 3.333% * 0.0074% (0.08 1.0 1.00 0.02 0.02) = 0.007% Peak 4230 (2.23, 1.47, 27.63 ppm): 30 chemical-shift based assignments, quality = 0.921, support = 4.49, residual support = 115.3: * O HB2 PRO 52 - HG3 PRO 52 3.333% * 95.8592% (0.95 10.0 4.63 119.95) = 95.859% kept HA1 GLY 58 - HG2 PRO 59 3.333% * 1.8011% (0.12 1.0 2.97 17.89) = 1.801% kept HG2 PRO 112 - HG3 PRO 52 3.333% * 1.2539% (1.00 1.0 0.25 0.02) = 1.254% kept HG3 GLU- 109 - HG3 PRO 52 3.333% * 0.0959% (0.95 1.0 0.02 0.02) = 0.096% HB3 GLU- 45 - HG3 PRO 52 3.333% * 0.0935% (0.92 1.0 0.02 0.02) = 0.094% HG3 GLN 102 - HG3 PRO 52 3.333% * 0.0879% (0.87 1.0 0.02 0.02) = 0.088% HG3 GLN 16 - HG3 PRO 52 3.333% * 0.0879% (0.87 1.0 0.02 0.12) = 0.088% HG3 GLU- 10 - HG3 PRO 52 3.333% * 0.0846% (0.84 1.0 0.02 0.02) = 0.085% HG3 GLU- 18 - HG3 PRO 52 3.333% * 0.0774% (0.76 1.0 0.02 0.02) = 0.077% HB2 GLU- 50 - HG3 PRO 52 3.333% * 0.0696% (0.69 1.0 0.02 0.30) = 0.070% HB3 ASN 15 - HG3 PRO 52 3.333% * 0.0696% (0.69 1.0 0.02 0.02) = 0.070% HA1 GLY 58 - HG3 PRO 52 3.333% * 0.0574% (0.57 1.0 0.02 0.02) = 0.057% HG3 MET 97 - HG3 PRO 52 3.333% * 0.0574% (0.57 1.0 0.02 0.02) = 0.057% HG3 MET 126 - HG3 PRO 52 3.333% * 0.0454% (0.45 1.0 0.02 0.02) = 0.045% HG3 GLU- 107 - HG3 PRO 52 3.333% * 0.0253% (0.25 1.0 0.02 0.02) = 0.025% HG2 PRO 112 - HG2 PRO 59 3.333% * 0.0214% (0.21 1.0 0.02 0.02) = 0.021% HG3 GLU- 109 - HG2 PRO 59 3.333% * 0.0203% (0.20 1.0 0.02 0.02) = 0.020% HB2 PRO 52 - HG2 PRO 59 3.333% * 0.0203% (0.20 1.0 0.02 0.02) = 0.020% HG3 GLU- 54 - HG3 PRO 52 3.333% * 0.0201% (0.20 1.0 0.02 8.58) = 0.020% HB3 GLU- 45 - HG2 PRO 59 3.333% * 0.0198% (0.20 1.0 0.02 0.02) = 0.020% HG3 GLN 102 - HG2 PRO 59 3.333% * 0.0186% (0.18 1.0 0.02 0.02) = 0.019% HG3 GLN 16 - HG2 PRO 59 3.333% * 0.0186% (0.18 1.0 0.02 0.55) = 0.019% HG3 GLU- 10 - HG2 PRO 59 3.333% * 0.0179% (0.18 1.0 0.02 0.02) = 0.018% HG3 GLU- 18 - HG2 PRO 59 3.333% * 0.0164% (0.16 1.0 0.02 0.02) = 0.016% HB2 GLU- 50 - HG2 PRO 59 3.333% * 0.0147% (0.15 1.0 0.02 0.83) = 0.015% HB3 ASN 15 - HG2 PRO 59 3.333% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% HG3 MET 97 - HG2 PRO 59 3.333% * 0.0121% (0.12 1.0 0.02 0.02) = 0.012% HG3 MET 126 - HG2 PRO 59 3.333% * 0.0096% (0.09 1.0 0.02 0.02) = 0.010% HG3 GLU- 107 - HG2 PRO 59 3.333% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% HG3 GLU- 54 - HG2 PRO 59 3.333% * 0.0042% (0.04 1.0 0.02 0.02) = 0.004% Peak 4231 (0.83, 3.27, 50.25 ppm): 8 chemical-shift based assignments, quality = 0.599, support = 3.0, residual support = 5.79: * T QD1 ILE 29 - HD2 PRO 52 12.500% * 45.8623% (0.62 10.00 2.59 3.61) = 45.862% kept T QG1 VAL 13 - HD2 PRO 52 12.500% * 45.8623% (0.62 10.00 3.71 8.41) = 45.862% kept QD2 LEU 17 - HD2 PRO 52 12.500% * 3.8368% (0.57 1.00 1.82 2.64) = 3.837% kept QG2 VAL 13 - HD2 PRO 52 12.500% * 2.0856% (0.32 1.00 1.77 8.41) = 2.086% kept QG1 VAL 94 - HD2 PRO 52 12.500% * 0.8267% (0.65 1.00 0.34 0.02) = 0.827% QD2 LEU 67 - HD2 PRO 52 12.500% * 0.7524% (0.32 1.00 0.64 0.14) = 0.752% HG2 LYS+ 117 - HD2 PRO 52 12.500% * 0.7370% (0.50 1.00 0.40 0.02) = 0.737% QD2 LEU 90 - HD2 PRO 52 12.500% * 0.0371% (0.50 1.00 0.02 2.38) = 0.037% Peak 4234 (3.30, 1.47, 27.63 ppm): 8 chemical-shift based assignments, quality = 0.662, support = 4.43, residual support = 112.5: * O T HD2 PRO 52 - HG3 PRO 52 12.500% * 92.8147% (0.69 10.0 10.00 4.61 119.95) = 92.815% kept HD3 ARG+ 53 - HG3 PRO 52 12.500% * 5.1592% (0.28 1.0 1.00 2.75 23.29) = 5.159% kept HD3 ARG+ 22 - HG3 PRO 52 12.500% * 1.7312% (0.61 1.0 1.00 0.42 0.02) = 1.731% kept T HD2 PRO 52 - HG2 PRO 59 12.500% * 0.1962% (0.15 1.0 10.00 0.02 0.02) = 0.196% HE3 LYS+ 63 - HG3 PRO 52 12.500% * 0.0606% (0.45 1.0 1.00 0.02 1.22) = 0.061% HD3 ARG+ 22 - HG2 PRO 59 12.500% * 0.0173% (0.13 1.0 1.00 0.02 0.02) = 0.017% HE3 LYS+ 63 - HG2 PRO 59 12.500% * 0.0128% (0.09 1.0 1.00 0.02 0.02) = 0.013% HD3 ARG+ 53 - HG2 PRO 59 12.500% * 0.0079% (0.06 1.0 1.00 0.02 0.02) = 0.008% Peak 4235 (0.29, 1.47, 27.63 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 1.28, residual support = 1.7: QG1 VAL 122 - HG3 PRO 52 25.000% * 50.6342% (1.00 1.30 1.73) = 50.634% kept * QD2 LEU 23 - HG3 PRO 52 25.000% * 49.0378% (0.99 1.27 1.68) = 49.038% kept QG1 VAL 122 - HG2 PRO 59 25.000% * 0.1647% (0.21 0.02 0.02) = 0.165% QD2 LEU 23 - HG2 PRO 59 25.000% * 0.1633% (0.21 0.02 0.02) = 0.163% Peak 4236 (2.23, 2.23, 31.94 ppm): 1 diagonal assignment: * HB2 PRO 52 - HB2 PRO 52 (0.87) kept Peak 4237 (3.29, 2.23, 31.94 ppm): 8 chemical-shift based assignments, quality = 0.839, support = 4.89, residual support = 104.7: * O T HD2 PRO 52 - HB2 PRO 52 12.500% * 85.0757% (0.87 10.0 10.00 5.25 119.95) = 85.076% kept HD3 ARG+ 53 - HB2 PRO 52 12.500% * 11.4157% (0.66 1.0 1.00 3.51 23.29) = 11.416% kept HD3 ARG+ 22 - HB2 PRO 52 12.500% * 2.7891% (0.86 1.0 1.00 0.66 0.02) = 2.789% kept HE3 LYS+ 63 - HB2 PRO 52 12.500% * 0.6739% (0.80 1.0 1.00 0.17 1.22) = 0.674% HD2 PRO 52 - HB VAL 80 12.500% * 0.0124% (0.13 1.0 1.00 0.02 0.02) = 0.012% HD3 ARG+ 22 - HB VAL 80 12.500% * 0.0123% (0.13 1.0 1.00 0.02 0.02) = 0.012% HE3 LYS+ 63 - HB VAL 80 12.500% * 0.0114% (0.12 1.0 1.00 0.02 0.02) = 0.011% HD3 ARG+ 53 - HB VAL 80 12.500% * 0.0095% (0.10 1.0 1.00 0.02 0.02) = 0.009% Peak 4238 (3.31, 1.61, 31.96 ppm): 2 chemical-shift based assignments, quality = 0.203, support = 6.07, residual support = 115.0: * O HD2 PRO 52 - HB3 PRO 52 50.000% * 95.8812% (0.20 10.0 6.29 119.95) = 95.881% kept HD3 ARG+ 22 - HB3 PRO 52 50.000% * 4.1188% (0.16 1.0 1.08 0.02) = 4.119% kept Peak 4239 (2.23, 3.27, 50.25 ppm): 14 chemical-shift based assignments, quality = 0.646, support = 5.01, residual support = 114.1: * O T HB2 PRO 52 - HD2 PRO 52 7.143% * 95.1242% (0.66 10.0 10.00 5.25 119.95) = 95.124% kept HB2 GLU- 50 - HD2 PRO 52 7.143% * 2.2525% (0.57 1.0 1.00 0.55 0.30) = 2.253% kept HG2 PRO 112 - HD2 PRO 52 7.143% * 1.1783% (0.66 1.0 1.00 0.25 0.02) = 1.178% kept HA1 GLY 58 - HD2 PRO 52 7.143% * 0.7758% (0.50 1.0 1.00 0.21 0.02) = 0.776% HG3 GLU- 109 - HD2 PRO 52 7.143% * 0.0951% (0.66 1.0 1.00 0.02 0.02) = 0.095% HG3 GLN 102 - HD2 PRO 52 7.143% * 0.0932% (0.64 1.0 1.00 0.02 0.02) = 0.093% HG3 GLU- 18 - HD2 PRO 52 7.143% * 0.0878% (0.61 1.0 1.00 0.02 0.02) = 0.088% HG3 MET 97 - HD2 PRO 52 7.143% * 0.0727% (0.50 1.0 1.00 0.02 0.02) = 0.073% HB3 GLU- 45 - HD2 PRO 52 7.143% * 0.0727% (0.50 1.0 1.00 0.02 0.02) = 0.073% HG3 GLN 16 - HD2 PRO 52 7.143% * 0.0653% (0.45 1.0 1.00 0.02 0.12) = 0.065% HG3 MET 126 - HD2 PRO 52 7.143% * 0.0615% (0.43 1.0 1.00 0.02 0.02) = 0.062% HG3 GLU- 10 - HD2 PRO 52 7.143% * 0.0615% (0.43 1.0 1.00 0.02 0.02) = 0.062% HB3 ASN 15 - HD2 PRO 52 7.143% * 0.0463% (0.32 1.0 1.00 0.02 0.02) = 0.046% HG3 GLU- 107 - HD2 PRO 52 7.143% * 0.0129% (0.09 1.0 1.00 0.02 0.02) = 0.013% Peak 4240 (1.20, 1.60, 31.96 ppm): 4 chemical-shift based assignments, quality = 0.402, support = 0.107, residual support = 0.0939: HB2 LEU 67 - HB3 PRO 52 25.000% * 35.6216% (0.63 1.00 0.10 0.14) = 35.622% kept HG12 ILE 100 - HB3 PRO 52 25.000% * 30.2767% (0.25 1.00 0.21 0.02) = 30.277% kept T HB2 LEU 74 - HB3 PRO 52 25.000% * 28.5009% (0.25 10.00 0.02 0.14) = 28.501% kept HB3 ARG+ 22 - HB3 PRO 52 25.000% * 5.6008% (0.50 1.00 0.02 0.02) = 5.601% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 4241 (7.82, 1.61, 31.96 ppm): 3 chemical-shift based assignments, quality = 0.651, support = 1.54, residual support = 1.92: * HN LYS+ 55 - HB3 PRO 52 33.333% * 54.8166% (0.56 1.93 2.54) = 54.817% kept HN LYS+ 63 - HB3 PRO 52 33.333% * 43.3915% (0.78 1.11 1.22) = 43.392% kept HN ALA 93 - HB3 PRO 52 33.333% * 1.7919% (0.28 0.13 0.02) = 1.792% kept Peak 4242 (8.45, 1.61, 31.96 ppm): 7 chemical-shift based assignments, quality = 0.435, support = 5.1, residual support = 22.5: * O HN ARG+ 53 - HB3 PRO 52 14.286% * 96.5265% (0.43 10.0 5.28 23.29) = 96.527% kept HN LEU 74 - HB3 PRO 52 14.286% * 1.6487% (0.82 1.0 0.18 0.14) = 1.649% kept HN GLY 92 - HB3 PRO 52 14.286% * 1.5745% (0.31 1.0 0.46 0.02) = 1.575% kept HN GLU- 107 - HB3 PRO 52 14.286% * 0.1113% (0.50 1.0 0.02 0.02) = 0.111% HN CYS 123 - HB3 PRO 52 14.286% * 0.0893% (0.40 1.0 0.02 0.02) = 0.089% HN LYS+ 117 - HB3 PRO 52 14.286% * 0.0248% (0.11 1.0 0.02 0.02) = 0.025% HN LYS+ 113 - HB3 PRO 52 14.286% * 0.0248% (0.11 1.0 0.02 0.02) = 0.025% Peak 4243 (7.82, 2.23, 31.94 ppm): 6 chemical-shift based assignments, quality = 0.681, support = 1.68, residual support = 1.95: HN LYS+ 55 - HB2 PRO 52 16.667% * 56.7888% (0.60 2.13 2.54) = 56.789% kept HN LYS+ 63 - HB2 PRO 52 16.667% * 41.3540% (0.82 1.13 1.22) = 41.354% kept HN LYS+ 63 - HB VAL 80 16.667% * 1.4768% (0.12 0.28 0.02) = 1.477% kept HN ALA 93 - HB2 PRO 52 16.667% * 0.2644% (0.30 0.02 0.02) = 0.264% HN LYS+ 55 - HB VAL 80 16.667% * 0.0776% (0.09 0.02 0.02) = 0.078% HN ALA 93 - HB VAL 80 16.667% * 0.0385% (0.04 0.02 0.02) = 0.039% Peak 4244 (8.45, 2.23, 31.94 ppm): 14 chemical-shift based assignments, quality = 0.459, support = 5.5, residual support = 22.6: * O HN ARG+ 53 - HB2 PRO 52 7.143% * 97.2404% (0.46 10.0 5.65 23.29) = 97.240% kept HN LEU 74 - HB2 PRO 52 7.143% * 1.6609% (0.87 1.0 0.18 0.14) = 1.661% kept HN CYS 123 - HB2 PRO 52 7.143% * 0.7793% (0.42 1.0 0.17 0.02) = 0.779% HN GLU- 107 - HB2 PRO 52 7.143% * 0.1121% (0.53 1.0 0.02 0.02) = 0.112% HN GLY 92 - HB2 PRO 52 7.143% * 0.0694% (0.33 1.0 0.02 0.02) = 0.069% HN LEU 74 - HB VAL 80 7.143% * 0.0269% (0.13 1.0 0.02 0.02) = 0.027% HN LYS+ 113 - HB2 PRO 52 7.143% * 0.0250% (0.12 1.0 0.02 0.02) = 0.025% HN LYS+ 117 - HB2 PRO 52 7.143% * 0.0250% (0.12 1.0 0.02 0.02) = 0.025% HN GLU- 107 - HB VAL 80 7.143% * 0.0163% (0.08 1.0 0.02 0.02) = 0.016% HN ARG+ 53 - HB VAL 80 7.143% * 0.0142% (0.07 1.0 0.02 0.02) = 0.014% HN CYS 123 - HB VAL 80 7.143% * 0.0131% (0.06 1.0 0.02 0.02) = 0.013% HN GLY 92 - HB VAL 80 7.143% * 0.0101% (0.05 1.0 0.02 0.02) = 0.010% HN LYS+ 113 - HB VAL 80 7.143% * 0.0036% (0.02 1.0 0.02 0.02) = 0.004% HN LYS+ 117 - HB VAL 80 7.143% * 0.0036% (0.02 1.0 0.02 0.02) = 0.004% Peak 4245 (9.07, 1.61, 31.96 ppm): 2 chemical-shift based assignments, quality = 0.814, support = 4.23, residual support = 7.51: * HN GLU- 54 - HB3 PRO 52 50.000% * 87.3382% (0.81 4.74 8.58) = 87.338% kept HN LYS+ 66 - HB3 PRO 52 50.000% * 12.6618% (0.82 0.68 0.12) = 12.662% kept Peak 4246 (7.77, 1.95, 32.81 ppm): 30 chemical-shift based assignments, quality = 0.451, support = 1.74, residual support = 2.48: * HN ALA 37 - HB2 PRO 35 3.333% * 50.7127% (0.49 2.59 4.45) = 50.713% kept HN VAL 125 - HB2 PRO 35 3.333% * 21.5053% (0.45 1.19 0.61) = 21.505% kept HN SER 124 - HB2 PRO 35 3.333% * 17.7962% (0.53 0.84 0.49) = 17.796% kept HN ALA 37 - HB VAL 13 3.333% * 4.6394% (0.29 0.39 0.02) = 4.639% kept HN THR 46 - HB2 PRO 35 3.333% * 0.5532% (0.69 0.02 0.02) = 0.553% HN VAL 87 - HB2 PRO 35 3.333% * 0.5210% (0.65 0.02 0.02) = 0.521% HN THR 46 - HB3 LYS+ 55 3.333% * 0.5204% (0.65 0.02 0.02) = 0.520% HN VAL 87 - HB3 LYS+ 55 3.333% * 0.4901% (0.61 0.02 0.02) = 0.490% HN SER 124 - HB3 LYS+ 55 3.333% * 0.3986% (0.49 0.02 0.02) = 0.399% HN ALA 37 - HB3 LYS+ 55 3.333% * 0.3687% (0.46 0.02 0.02) = 0.369% HN VAL 125 - HB3 LYS+ 55 3.333% * 0.3396% (0.42 0.02 0.02) = 0.340% HN THR 46 - HB VAL 13 3.333% * 0.3351% (0.42 0.02 0.02) = 0.335% HN VAL 87 - HB VAL 13 3.333% * 0.3156% (0.39 0.02 0.02) = 0.316% HN SER 124 - HB VAL 13 3.333% * 0.2567% (0.32 0.02 0.02) = 0.257% HN VAL 125 - HB VAL 13 3.333% * 0.2187% (0.27 0.02 0.02) = 0.219% HN ALA 93 - HB2 PRO 35 3.333% * 0.1410% (0.18 0.02 0.02) = 0.141% HN ALA 93 - HB3 LYS+ 55 3.333% * 0.1327% (0.16 0.02 0.02) = 0.133% HN ALA 93 - HB VAL 13 3.333% * 0.0854% (0.11 0.02 0.02) = 0.085% HN THR 46 - HB2 GLU- 75 3.333% * 0.0823% (0.10 0.02 0.02) = 0.082% HN VAL 87 - HB2 GLU- 75 3.333% * 0.0775% (0.10 0.02 0.02) = 0.077% HN THR 46 - HB2 PRO 116 3.333% * 0.0726% (0.09 0.02 0.02) = 0.073% HN VAL 87 - HB2 PRO 116 3.333% * 0.0683% (0.08 0.02 0.02) = 0.068% HN SER 124 - HB2 GLU- 75 3.333% * 0.0630% (0.08 0.02 0.02) = 0.063% HN ALA 37 - HB2 GLU- 75 3.333% * 0.0583% (0.07 0.02 0.02) = 0.058% HN SER 124 - HB2 PRO 116 3.333% * 0.0556% (0.07 0.02 0.02) = 0.056% HN VAL 125 - HB2 GLU- 75 3.333% * 0.0537% (0.07 0.02 0.02) = 0.054% HN ALA 37 - HB2 PRO 116 3.333% * 0.0514% (0.06 0.02 0.02) = 0.051% HN VAL 125 - HB2 PRO 116 3.333% * 0.0474% (0.06 0.02 0.02) = 0.047% HN ALA 93 - HB2 GLU- 75 3.333% * 0.0210% (0.03 0.02 0.02) = 0.021% HN ALA 93 - HB2 PRO 116 3.333% * 0.0185% (0.02 0.02 0.02) = 0.019% Peak 4247 (1.95, 1.95, 32.81 ppm): 5 diagonal assignments: * HB2 PRO 35 - HB2 PRO 35 (1.00) kept HB3 LYS+ 55 - HB3 LYS+ 55 (0.87) kept HB VAL 13 - HB VAL 13 (0.58) kept HB2 GLU- 75 - HB2 GLU- 75 (0.11) kept HB2 PRO 116 - HB2 PRO 116 (0.06) kept Peak 4248 (3.86, 1.95, 32.81 ppm): 55 chemical-shift based assignments, quality = 0.25, support = 2.26, residual support = 14.3: * O HD3 PRO 35 - HB2 PRO 35 1.818% * 84.8994% (0.28 10.0 2.46 14.98) = 84.899% kept O HD2 PRO 116 - HB2 PRO 116 1.818% * 8.6631% (0.03 10.0 1.94 17.74) = 8.663% kept HB2 SER 85 - HB2 PRO 35 1.818% * 1.1993% (0.92 1.0 0.09 0.02) = 1.199% kept HB3 SER 88 - HB2 PRO 35 1.818% * 0.2889% (0.95 1.0 0.02 0.02) = 0.289% HA2 GLY 114 - HB2 PRO 35 1.818% * 0.2738% (0.90 1.0 0.02 0.02) = 0.274% HB3 SER 77 - HB2 PRO 35 1.818% * 0.2738% (0.90 1.0 0.02 0.02) = 0.274% HB3 SER 88 - HB3 LYS+ 55 1.818% * 0.2717% (0.89 1.0 0.02 0.02) = 0.272% HB2 SER 85 - HB3 LYS+ 55 1.818% * 0.2651% (0.87 1.0 0.02 0.02) = 0.265% HB3 SER 77 - HB3 LYS+ 55 1.818% * 0.2576% (0.84 1.0 0.02 0.02) = 0.258% HA2 GLY 114 - HB3 LYS+ 55 1.818% * 0.2576% (0.84 1.0 0.02 0.02) = 0.258% HB3 SER 27 - HB2 PRO 35 1.818% * 0.2097% (0.69 1.0 0.02 0.02) = 0.210% HA LYS+ 117 - HB2 PRO 35 1.818% * 0.1975% (0.65 1.0 0.02 0.02) = 0.198% HA GLU- 45 - HB2 PRO 35 1.818% * 0.1975% (0.65 1.0 0.02 0.02) = 0.198% HB3 SER 27 - HB3 LYS+ 55 1.818% * 0.1973% (0.65 1.0 0.02 0.02) = 0.197% HA LYS+ 117 - HB3 LYS+ 55 1.818% * 0.1858% (0.61 1.0 0.02 0.02) = 0.186% HA GLU- 45 - HB3 LYS+ 55 1.818% * 0.1858% (0.61 1.0 0.02 0.02) = 0.186% HB3 SER 88 - HB VAL 13 1.818% * 0.1750% (0.57 1.0 0.02 0.02) = 0.175% HB2 SER 85 - HB VAL 13 1.818% * 0.1707% (0.56 1.0 0.02 0.02) = 0.171% HA2 GLY 114 - HB VAL 13 1.818% * 0.1659% (0.54 1.0 0.02 0.02) = 0.166% HB3 SER 77 - HB VAL 13 1.818% * 0.1659% (0.54 1.0 0.02 0.02) = 0.166% HB3 SER 27 - HB VAL 13 1.818% * 0.1271% (0.42 1.0 0.02 0.02) = 0.127% HA LYS+ 117 - HB VAL 13 1.818% * 0.1197% (0.39 1.0 0.02 0.02) = 0.120% HA GLU- 45 - HB VAL 13 1.818% * 0.1197% (0.39 1.0 0.02 0.02) = 0.120% HD3 PRO 35 - HB3 LYS+ 55 1.818% * 0.0799% (0.26 1.0 0.02 0.02) = 0.080% HD2 PRO 116 - HB2 PRO 35 1.818% * 0.0680% (0.22 1.0 0.02 0.02) = 0.068% HD2 PRO 116 - HB3 LYS+ 55 1.818% * 0.0639% (0.21 1.0 0.02 0.02) = 0.064% HD2 PRO 86 - HB2 PRO 35 1.818% * 0.0535% (0.18 1.0 0.02 0.02) = 0.053% HD3 PRO 35 - HB VAL 13 1.818% * 0.0514% (0.17 1.0 0.02 0.02) = 0.051% HD2 PRO 86 - HB3 LYS+ 55 1.818% * 0.0503% (0.16 1.0 0.02 0.02) = 0.050% HA2 GLY 92 - HB2 PRO 35 1.818% * 0.0471% (0.15 1.0 0.02 0.02) = 0.047% HA2 GLY 92 - HB3 LYS+ 55 1.818% * 0.0443% (0.15 1.0 0.02 0.02) = 0.044% HB3 SER 88 - HB2 GLU- 75 1.818% * 0.0430% (0.14 1.0 0.02 0.02) = 0.043% HB2 SER 85 - HB2 GLU- 75 1.818% * 0.0419% (0.14 1.0 0.02 0.02) = 0.042% HD2 PRO 116 - HB VAL 13 1.818% * 0.0412% (0.13 1.0 0.02 0.02) = 0.041% HB3 SER 77 - HB2 GLU- 75 1.818% * 0.0407% (0.13 1.0 0.02 0.02) = 0.041% HA2 GLY 114 - HB2 GLU- 75 1.818% * 0.0407% (0.13 1.0 0.02 0.02) = 0.041% HB3 SER 88 - HB2 PRO 116 1.818% * 0.0379% (0.12 1.0 0.02 0.02) = 0.038% HB2 SER 85 - HB2 PRO 116 1.818% * 0.0370% (0.12 1.0 0.02 0.02) = 0.037% HB3 SER 77 - HB2 PRO 116 1.818% * 0.0359% (0.12 1.0 0.02 0.02) = 0.036% HA2 GLY 114 - HB2 PRO 116 1.818% * 0.0359% (0.12 1.0 0.02 0.48) = 0.036% HA2 GLY 92 - HB2 GLU- 75 1.818% * 0.0342% (0.02 1.0 0.10 0.02) = 0.034% HD2 PRO 86 - HB VAL 13 1.818% * 0.0324% (0.11 1.0 0.02 0.02) = 0.032% HB3 SER 27 - HB2 GLU- 75 1.818% * 0.0312% (0.10 1.0 0.02 0.02) = 0.031% HA LYS+ 117 - HB2 GLU- 75 1.818% * 0.0294% (0.10 1.0 0.02 0.02) = 0.029% HA GLU- 45 - HB2 GLU- 75 1.818% * 0.0294% (0.10 1.0 0.02 0.11) = 0.029% HA2 GLY 92 - HB VAL 13 1.818% * 0.0285% (0.09 1.0 0.02 0.02) = 0.029% HB3 SER 27 - HB2 PRO 116 1.818% * 0.0275% (0.09 1.0 0.02 0.02) = 0.028% HA LYS+ 117 - HB2 PRO 116 1.818% * 0.0259% (0.08 1.0 0.02 3.61) = 0.026% HA GLU- 45 - HB2 PRO 116 1.818% * 0.0259% (0.08 1.0 0.02 0.02) = 0.026% HD3 PRO 35 - HB2 GLU- 75 1.818% * 0.0126% (0.04 1.0 0.02 0.02) = 0.013% HD3 PRO 35 - HB2 PRO 116 1.818% * 0.0111% (0.04 1.0 0.02 0.02) = 0.011% HD2 PRO 116 - HB2 GLU- 75 1.818% * 0.0101% (0.03 1.0 0.02 0.02) = 0.010% HD2 PRO 86 - HB2 GLU- 75 1.818% * 0.0080% (0.03 1.0 0.02 0.02) = 0.008% HD2 PRO 86 - HB2 PRO 116 1.818% * 0.0070% (0.02 1.0 0.02 0.02) = 0.007% HA2 GLY 92 - HB2 PRO 116 1.818% * 0.0062% (0.02 1.0 0.02 0.02) = 0.006% Peak 4249 (8.89, 1.95, 32.81 ppm): 15 chemical-shift based assignments, quality = 0.942, support = 4.49, residual support = 16.5: * O HN ASP- 36 - HB2 PRO 35 6.667% * 99.5943% (0.95 10.0 4.51 16.61) = 99.594% kept HN ASP- 36 - HB3 LYS+ 55 6.667% * 0.0937% (0.89 1.0 0.02 0.02) = 0.094% HN ASP- 36 - HB VAL 13 6.667% * 0.0603% (0.57 1.0 0.02 0.02) = 0.060% HN GLN 102 - HB2 PRO 35 6.667% * 0.0433% (0.41 1.0 0.02 0.02) = 0.043% HN GLN 102 - HB3 LYS+ 55 6.667% * 0.0407% (0.39 1.0 0.02 0.02) = 0.041% HN ILE 68 - HB2 PRO 35 6.667% * 0.0359% (0.34 1.0 0.02 0.02) = 0.036% HN ILE 68 - HB3 LYS+ 55 6.667% * 0.0338% (0.32 1.0 0.02 0.02) = 0.034% HN GLN 102 - HB VAL 13 6.667% * 0.0262% (0.25 1.0 0.02 0.02) = 0.026% HN ILE 68 - HB VAL 13 6.667% * 0.0218% (0.21 1.0 0.02 0.02) = 0.022% HN ASP- 36 - HB2 GLU- 75 6.667% * 0.0148% (0.14 1.0 0.02 0.02) = 0.015% HN ASP- 36 - HB2 PRO 116 6.667% * 0.0131% (0.12 1.0 0.02 0.02) = 0.013% HN GLN 102 - HB2 GLU- 75 6.667% * 0.0064% (0.06 1.0 0.02 0.55) = 0.006% HN GLN 102 - HB2 PRO 116 6.667% * 0.0057% (0.05 1.0 0.02 0.02) = 0.006% HN ILE 68 - HB2 GLU- 75 6.667% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% HN ILE 68 - HB2 PRO 116 6.667% * 0.0047% (0.04 1.0 0.02 0.02) = 0.005% Peak 4250 (3.86, 2.14, 27.70 ppm): 22 chemical-shift based assignments, quality = 0.223, support = 0.584, residual support = 0.621: T HA GLU- 45 - HG2 PRO 112 4.545% * 55.3134% (0.27 10.00 0.61 0.28) = 55.313% kept T HD3 PRO 35 - HG2 PRO 112 4.545% * 28.0192% (0.11 10.00 0.72 1.64) = 28.019% kept HB3 SER 77 - HG2 PRO 112 4.545% * 4.7158% (0.37 1.00 0.38 0.02) = 4.716% kept HB2 SER 85 - HG2 PRO 112 4.545% * 3.3045% (0.38 1.00 0.26 0.02) = 3.305% kept HB3 SER 77 - HG2 PRO 104 4.545% * 1.9920% (0.18 1.00 0.32 0.02) = 1.992% kept HB2 SER 85 - HG2 PRO 104 4.545% * 1.6159% (0.19 1.00 0.25 0.02) = 1.616% kept HB3 SER 88 - HG2 PRO 112 4.545% * 1.4347% (0.39 1.00 0.11 0.02) = 1.435% kept HB3 SER 27 - HG2 PRO 104 4.545% * 1.2795% (0.14 1.00 0.27 0.15) = 1.280% kept T HD2 PRO 116 - HG2 PRO 112 4.545% * 0.6206% (0.09 10.00 0.02 0.02) = 0.621% T HD2 PRO 86 - HG2 PRO 112 4.545% * 0.4882% (0.07 10.00 0.02 0.02) = 0.488% HA2 GLY 114 - HG2 PRO 112 4.545% * 0.2500% (0.37 1.00 0.02 0.02) = 0.250% HB3 SER 27 - HG2 PRO 112 4.545% * 0.1915% (0.28 1.00 0.02 0.02) = 0.191% HA LYS+ 117 - HG2 PRO 112 4.545% * 0.1803% (0.27 1.00 0.02 0.02) = 0.180% HB3 SER 88 - HG2 PRO 104 4.545% * 0.1314% (0.19 1.00 0.02 0.02) = 0.131% HA2 GLY 114 - HG2 PRO 104 4.545% * 0.1246% (0.18 1.00 0.02 0.02) = 0.125% HA LYS+ 117 - HG2 PRO 104 4.545% * 0.0899% (0.13 1.00 0.02 0.02) = 0.090% HA GLU- 45 - HG2 PRO 104 4.545% * 0.0899% (0.13 1.00 0.02 0.02) = 0.090% HA2 GLY 92 - HG2 PRO 112 4.545% * 0.0430% (0.06 1.00 0.02 0.02) = 0.043% HD3 PRO 35 - HG2 PRO 104 4.545% * 0.0386% (0.06 1.00 0.02 0.02) = 0.039% HD2 PRO 116 - HG2 PRO 104 4.545% * 0.0309% (0.05 1.00 0.02 0.02) = 0.031% HD2 PRO 86 - HG2 PRO 104 4.545% * 0.0243% (0.04 1.00 0.02 0.02) = 0.024% HA2 GLY 92 - HG2 PRO 104 4.545% * 0.0214% (0.03 1.00 0.02 0.02) = 0.021% Peak 4251 (3.86, 3.86, 51.25 ppm): 3 diagonal assignments: * HD3 PRO 35 - HD3 PRO 35 (0.14) kept HD2 PRO 86 - HD2 PRO 86 (0.07) kept HD2 PRO 116 - HD2 PRO 116 (0.06) kept Peak 4252 (2.58, 2.07, 27.70 ppm): 1 diagonal assignment: HG2 PRO 112 - HG2 PRO 112 (0.07) kept Reference assignment not found: HB3 PRO 35 - HG3 PRO 35 Peak 4253 (2.07, 2.07, 27.70 ppm): 2 diagonal assignments: HG2 PRO 112 - HG2 PRO 112 (0.26) kept HG3 PRO 86 - HG3 PRO 86 (0.08) kept Reference assignment not found: HG3 PRO 35 - HG3 PRO 35 Peak 4254 (2.58, 3.86, 51.25 ppm): 20 chemical-shift based assignments, quality = 0.44, support = 2.45, residual support = 13.3: O T HB3 PRO 35 - HD3 PRO 35 5.000% * 87.8869% (0.49 10.0 10.00 2.58 14.98) = 87.887% kept T HG2 PRO 112 - HD3 PRO 35 5.000% * 6.0187% (0.09 1.0 10.00 0.72 1.64) = 6.019% kept HB2 PHE 34 - HD3 PRO 35 5.000% * 4.3910% (0.15 1.0 1.00 3.24 1.38) = 4.391% kept T HB3 PRO 35 - HD2 PRO 86 5.000% * 0.6777% (0.38 1.0 10.00 0.02 0.02) = 0.678% T HB3 PRO 35 - HD2 PRO 116 5.000% * 0.4681% (0.26 1.0 10.00 0.02 0.02) = 0.468% T HG2 PRO 112 - HD2 PRO 86 5.000% * 0.1284% (0.07 1.0 10.00 0.02 0.02) = 0.128% T HG2 PRO 112 - HD2 PRO 116 5.000% * 0.0887% (0.05 1.0 10.00 0.02 0.02) = 0.089% T HG2 PRO 112 - HD3 PRO 86 5.000% * 0.0677% (0.04 1.0 10.00 0.02 0.02) = 0.068% T HG2 PRO 112 - HD3 PRO 116 5.000% * 0.0487% (0.03 1.0 10.00 0.02 0.02) = 0.049% HG2 MET 118 - HD3 PRO 35 5.000% * 0.0361% (0.20 1.0 1.00 0.02 0.02) = 0.036% HB3 PRO 35 - HD3 PRO 86 5.000% * 0.0357% (0.20 1.0 1.00 0.02 0.02) = 0.036% HG2 MET 118 - HD2 PRO 86 5.000% * 0.0279% (0.15 1.0 1.00 0.02 0.02) = 0.028% HB3 PRO 35 - HD3 PRO 116 5.000% * 0.0257% (0.14 1.0 1.00 0.02 0.02) = 0.026% HB2 PHE 34 - HD2 PRO 86 5.000% * 0.0209% (0.12 1.0 1.00 0.02 0.02) = 0.021% HG2 MET 118 - HD2 PRO 116 5.000% * 0.0192% (0.11 1.0 1.00 0.02 0.02) = 0.019% HG2 MET 118 - HD3 PRO 86 5.000% * 0.0147% (0.08 1.0 1.00 0.02 0.02) = 0.015% HB2 PHE 34 - HD2 PRO 116 5.000% * 0.0144% (0.08 1.0 1.00 0.02 0.02) = 0.014% HB2 PHE 34 - HD3 PRO 86 5.000% * 0.0110% (0.06 1.0 1.00 0.02 0.02) = 0.011% HG2 MET 118 - HD3 PRO 116 5.000% * 0.0106% (0.06 1.0 1.00 0.02 0.02) = 0.011% HB2 PHE 34 - HD3 PRO 116 5.000% * 0.0079% (0.04 1.0 1.00 0.02 0.02) = 0.008% Peak 4256 (7.90, 4.29, 55.60 ppm): 2 chemical-shift based assignments, quality = 0.362, support = 3.1, residual support = 19.4: * O HN LEU 90 - HA LEU 90 50.000% * 99.8622% (0.36 10.0 3.10 19.40) = 99.862% kept HN LYS+ 44 - HA LEU 90 50.000% * 0.1378% (0.50 1.0 0.02 0.02) = 0.138% Peak 4257 (7.89, 1.62, 42.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4258 (1.15, 1.72, 31.21 ppm): 7 chemical-shift based assignments, quality = 0.726, support = 0.709, residual support = 1.25: QB ALA 33 - HB2 GLN 16 14.286% * 41.4650% (0.90 0.89 2.54) = 41.465% kept HG3 PRO 59 - HB2 GLN 16 14.286% * 26.9932% (0.76 0.69 0.55) = 26.993% kept QG2 THR 106 - HB2 GLN 16 14.286% * 13.2675% (0.43 0.60 0.23) = 13.267% kept HB2 LEU 43 - HB2 GLN 16 14.286% * 13.1141% (0.54 0.47 0.13) = 13.114% kept HG3 LYS+ 32 - HB2 GLN 16 14.286% * 4.6321% (0.43 0.21 0.02) = 4.632% kept HD3 LYS+ 111 - HB2 GLN 16 14.286% * 0.3342% (0.32 0.02 0.02) = 0.334% HB2 LEU 74 - HB2 GLN 16 14.286% * 0.1939% (0.19 0.02 0.02) = 0.194% Peak 4259 (1.16, 1.89, 31.12 ppm): 5 chemical-shift based assignments, quality = 0.566, support = 1.01, residual support = 1.96: T QB ALA 33 - HB3 GLN 16 20.000% * 74.0127% (0.45 10.00 1.12 2.54) = 74.013% kept QG2 THR 106 - HB3 GLN 16 20.000% * 11.0685% (0.86 1.00 0.89 0.23) = 11.069% kept HG3 PRO 59 - HB3 GLN 16 20.000% * 8.4595% (0.91 1.00 0.64 0.55) = 8.459% kept HB2 LEU 43 - HB3 GLN 16 20.000% * 6.2842% (0.91 1.00 0.47 0.13) = 6.284% kept HB2 LEU 74 - HB3 GLN 16 20.000% * 0.1752% (0.60 1.00 0.02 0.02) = 0.175% Peak 4260 (8.19, 2.24, 33.89 ppm): 28 chemical-shift based assignments, quality = 0.54, support = 3.15, residual support = 40.1: * HN GLN 16 - HG3 GLN 16 3.571% * 61.9140% (0.47 4.71 63.73) = 61.914% kept HN ALA 33 - HG3 GLN 16 3.571% * 18.0277% (0.81 0.80 2.54) = 18.028% kept HN ALA 33 - HG3 GLN 102 3.571% * 11.8229% (0.75 0.57 1.76) = 11.823% kept HN VAL 94 - HG3 GLN 16 3.571% * 2.1984% (0.15 0.54 0.02) = 2.198% kept HN SER 41 - HG3 GLN 16 3.571% * 1.7823% (0.21 0.31 0.02) = 1.782% kept HN ALA 11 - HG3 GLN 16 3.571% * 1.3654% (0.26 0.19 0.02) = 1.365% kept HN GLU- 45 - HG3 GLN 16 3.571% * 0.7989% (0.31 0.09 0.02) = 0.799% HN GLN 16 - HG3 GLN 102 3.571% * 0.2455% (0.44 0.02 1.68) = 0.245% HN ALA 33 - HG3 MET 126 3.571% * 0.2388% (0.43 0.02 0.02) = 0.239% HN ALA 33 - HG3 MET 97 3.571% * 0.1648% (0.30 0.02 0.02) = 0.165% HN GLU- 45 - HG3 GLN 102 3.571% * 0.1627% (0.29 0.02 0.02) = 0.163% HN GLN 16 - HG3 MET 126 3.571% * 0.1401% (0.25 0.02 0.02) = 0.140% HN ALA 11 - HG3 GLN 102 3.571% * 0.1338% (0.24 0.02 0.02) = 0.134% HN SER 41 - HG3 GLN 102 3.571% * 0.1081% (0.20 0.02 0.02) = 0.108% HN GLN 16 - HG3 MET 97 3.571% * 0.0967% (0.17 0.02 0.96) = 0.097% HN GLU- 45 - HG3 MET 126 3.571% * 0.0929% (0.17 0.02 0.02) = 0.093% HN VAL 105 - HG3 GLN 16 3.571% * 0.0920% (0.17 0.02 0.02) = 0.092% HN VAL 105 - HG3 GLN 102 3.571% * 0.0858% (0.15 0.02 0.02) = 0.086% HN ALA 11 - HG3 MET 126 3.571% * 0.0764% (0.14 0.02 0.02) = 0.076% HN VAL 94 - HG3 GLN 102 3.571% * 0.0759% (0.14 0.02 0.02) = 0.076% HN GLU- 45 - HG3 MET 97 3.571% * 0.0641% (0.12 0.02 0.02) = 0.064% HN SER 41 - HG3 MET 126 3.571% * 0.0617% (0.11 0.02 0.02) = 0.062% HN ALA 11 - HG3 MET 97 3.571% * 0.0527% (0.10 0.02 0.02) = 0.053% HN VAL 105 - HG3 MET 126 3.571% * 0.0490% (0.09 0.02 0.02) = 0.049% HN VAL 94 - HG3 MET 126 3.571% * 0.0433% (0.08 0.02 0.02) = 0.043% HN SER 41 - HG3 MET 97 3.571% * 0.0426% (0.08 0.02 0.02) = 0.043% HN VAL 105 - HG3 MET 97 3.571% * 0.0338% (0.06 0.02 0.02) = 0.034% HN VAL 94 - HG3 MET 97 3.571% * 0.0299% (0.05 0.02 0.02) = 0.030% Peak 4261 (4.71, 2.10, 33.89 ppm): 14 chemical-shift based assignments, quality = 0.445, support = 3.9, residual support = 63.3: * O HA GLN 16 - HG2 GLN 16 7.143% * 99.3153% (0.45 10.0 3.93 63.73) = 99.315% kept HA THR 61 - HG2 GLN 16 7.143% * 0.1066% (0.48 1.0 0.02 0.02) = 0.107% HA VAL 99 - HG2 GLN 16 7.143% * 0.1066% (0.48 1.0 0.02 0.02) = 0.107% HA THR 39 - HG2 GLN 16 7.143% * 0.0993% (0.45 1.0 0.02 0.02) = 0.099% HA2 GLY 30 - HG2 GLN 16 7.143% * 0.0933% (0.42 1.0 0.02 0.02) = 0.093% HA LYS+ 20 - HG2 GLN 16 7.143% * 0.0609% (0.27 1.0 0.02 0.02) = 0.061% HA THR 61 - HB VAL 65 7.143% * 0.0363% (0.16 1.0 0.02 0.02) = 0.036% HA VAL 99 - HB VAL 65 7.143% * 0.0363% (0.16 1.0 0.02 0.02) = 0.036% HA THR 39 - HB VAL 65 7.143% * 0.0338% (0.15 1.0 0.02 0.02) = 0.034% HA GLN 16 - HB VAL 65 7.143% * 0.0338% (0.15 1.0 0.02 0.02) = 0.034% HA2 GLY 30 - HB VAL 65 7.143% * 0.0318% (0.14 1.0 0.02 0.02) = 0.032% HA LYS+ 20 - HB VAL 65 7.143% * 0.0207% (0.09 1.0 0.02 0.02) = 0.021% HA ASN 89 - HG2 GLN 16 7.143% * 0.0188% (0.09 1.0 0.02 0.02) = 0.019% HA ASN 89 - HB VAL 65 7.143% * 0.0064% (0.03 1.0 0.02 0.02) = 0.006% Peak 4264 (8.19, 2.10, 33.89 ppm): 14 chemical-shift based assignments, quality = 0.335, support = 3.45, residual support = 51.9: * HN GLN 16 - HG2 GLN 16 7.143% * 80.9877% (0.33 4.19 63.73) = 80.988% kept HN ALA 33 - HG2 GLN 16 7.143% * 9.2968% (0.57 0.28 2.54) = 9.297% kept HN VAL 94 - HG2 GLN 16 7.143% * 3.2322% (0.10 0.54 0.02) = 3.232% kept HN SER 41 - HG2 GLN 16 7.143% * 2.6205% (0.15 0.31 0.02) = 2.621% kept HN ALA 11 - HG2 GLN 16 7.143% * 2.0074% (0.18 0.19 0.02) = 2.007% kept HN GLU- 45 - HG2 GLN 16 7.143% * 1.1746% (0.22 0.09 0.02) = 1.175% kept HN ALA 33 - HB VAL 65 7.143% * 0.1855% (0.16 0.02 0.02) = 0.186% HN VAL 105 - HG2 GLN 16 7.143% * 0.1352% (0.12 0.02 0.02) = 0.135% HN GLN 16 - HB VAL 65 7.143% * 0.1088% (0.09 0.02 0.02) = 0.109% HN GLU- 45 - HB VAL 65 7.143% * 0.0722% (0.06 0.02 0.02) = 0.072% HN ALA 11 - HB VAL 65 7.143% * 0.0593% (0.05 0.02 0.02) = 0.059% HN SER 41 - HB VAL 65 7.143% * 0.0479% (0.04 0.02 0.02) = 0.048% HN VAL 105 - HB VAL 65 7.143% * 0.0380% (0.03 0.02 0.02) = 0.038% HN VAL 94 - HB VAL 65 7.143% * 0.0337% (0.03 0.02 0.02) = 0.034% Peak 4265 (2.09, 2.10, 33.89 ppm): 2 diagonal assignments: * HG2 GLN 16 - HG2 GLN 16 (0.39) kept HB VAL 65 - HB VAL 65 (0.14) kept Peak 4266 (1.89, 2.24, 33.79 ppm): 44 chemical-shift based assignments, quality = 0.822, support = 3.12, residual support = 53.8: * O HB3 GLN 16 - HG3 GLN 16 2.273% * 74.5393% (0.99 10.0 3.25 63.73) = 74.539% kept O HB3 GLN 102 - HG3 GLN 102 2.273% * 22.8248% (0.30 10.0 3.00 27.58) = 22.825% kept HG2 GLU- 18 - HG3 GLN 102 2.273% * 1.6665% (0.62 1.0 0.71 0.77) = 1.666% kept HG2 GLU- 18 - HG3 GLN 16 2.273% * 0.0745% (0.99 1.0 0.02 1.50) = 0.075% HB3 CYS 123 - HG3 GLN 16 2.273% * 0.0670% (0.89 1.0 0.02 0.02) = 0.067% HB3 ARG+ 53 - HG3 GLN 16 2.273% * 0.0571% (0.76 1.0 0.02 0.02) = 0.057% HG3 LYS+ 120 - HG3 GLN 16 2.273% * 0.0571% (0.76 1.0 0.02 0.02) = 0.057% HB2 PRO 112 - HG3 GLN 16 2.273% * 0.0524% (0.70 1.0 0.02 0.02) = 0.052% HB3 GLN 16 - HG3 GLN 102 2.273% * 0.0468% (0.62 1.0 0.02 1.68) = 0.047% HB3 CYS 123 - HG3 GLN 102 2.273% * 0.0421% (0.56 1.0 0.02 0.02) = 0.042% HD3 PRO 52 - HG3 GLN 16 2.273% * 0.0393% (0.52 1.0 0.02 0.12) = 0.039% HB3 GLN 102 - HG3 GLN 16 2.273% * 0.0364% (0.49 1.0 0.02 1.68) = 0.036% HB3 ARG+ 84 - HG3 GLN 16 2.273% * 0.0364% (0.49 1.0 0.02 0.02) = 0.036% HB3 ARG+ 53 - HG3 GLN 102 2.273% * 0.0358% (0.48 1.0 0.02 0.02) = 0.036% HG3 LYS+ 120 - HG3 GLN 102 2.273% * 0.0358% (0.48 1.0 0.02 0.02) = 0.036% HB2 PRO 112 - HG3 GLN 102 2.273% * 0.0329% (0.44 1.0 0.02 0.02) = 0.033% HD3 PRO 52 - HG3 GLN 102 2.273% * 0.0247% (0.33 1.0 0.02 0.02) = 0.025% HD3 LYS+ 63 - HG3 GLN 16 2.273% * 0.0231% (0.31 1.0 0.02 0.02) = 0.023% HG2 GLU- 18 - HG3 MET 126 2.273% * 0.0229% (0.31 1.0 0.02 0.02) = 0.023% HB3 GLN 16 - HG3 MET 126 2.273% * 0.0229% (0.31 1.0 0.02 0.02) = 0.023% HB3 ARG+ 84 - HG3 GLN 102 2.273% * 0.0228% (0.30 1.0 0.02 0.02) = 0.023% HB3 CYS 123 - HG3 MET 126 2.273% * 0.0206% (0.28 1.0 0.02 0.02) = 0.021% HG2 PRO 112 - HG3 GLN 16 2.273% * 0.0187% (0.25 1.0 0.02 0.02) = 0.019% HB3 ARG+ 53 - HG3 MET 126 2.273% * 0.0176% (0.23 1.0 0.02 0.02) = 0.018% HG3 LYS+ 120 - HG3 MET 126 2.273% * 0.0176% (0.23 1.0 0.02 0.02) = 0.018% HB2 PRO 112 - HG3 MET 126 2.273% * 0.0161% (0.22 1.0 0.02 0.02) = 0.016% HD3 LYS+ 63 - HG3 GLN 102 2.273% * 0.0145% (0.19 1.0 0.02 0.02) = 0.014% HD3 PRO 52 - HG3 MET 126 2.273% * 0.0121% (0.16 1.0 0.02 0.02) = 0.012% HG2 PRO 112 - HG3 GLN 102 2.273% * 0.0118% (0.16 1.0 0.02 0.02) = 0.012% HB3 GLN 102 - HG3 MET 126 2.273% * 0.0112% (0.15 1.0 0.02 0.02) = 0.011% HB3 ARG+ 84 - HG3 MET 126 2.273% * 0.0112% (0.15 1.0 0.02 0.02) = 0.011% HG2 GLU- 18 - HG3 MET 97 2.273% * 0.0104% (0.14 1.0 0.02 0.02) = 0.010% HB3 GLN 16 - HG3 MET 97 2.273% * 0.0104% (0.14 1.0 0.02 0.96) = 0.010% HB3 CYS 123 - HG3 MET 97 2.273% * 0.0094% (0.13 1.0 0.02 0.02) = 0.009% HB3 ARG+ 53 - HG3 MET 97 2.273% * 0.0080% (0.11 1.0 0.02 0.02) = 0.008% HG3 LYS+ 120 - HG3 MET 97 2.273% * 0.0080% (0.11 1.0 0.02 0.02) = 0.008% HB2 PRO 112 - HG3 MET 97 2.273% * 0.0073% (0.10 1.0 0.02 0.02) = 0.007% HD3 LYS+ 63 - HG3 MET 126 2.273% * 0.0071% (0.09 1.0 0.02 0.02) = 0.007% HG2 PRO 112 - HG3 MET 126 2.273% * 0.0058% (0.08 1.0 0.02 0.02) = 0.006% HD3 PRO 52 - HG3 MET 97 2.273% * 0.0055% (0.07 1.0 0.02 0.02) = 0.006% HB3 ARG+ 84 - HG3 MET 97 2.273% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% HB3 GLN 102 - HG3 MET 97 2.273% * 0.0051% (0.07 1.0 0.02 0.02) = 0.005% HD3 LYS+ 63 - HG3 MET 97 2.273% * 0.0032% (0.04 1.0 0.02 0.02) = 0.003% HG2 PRO 112 - HG3 MET 97 2.273% * 0.0026% (0.04 1.0 0.02 0.02) = 0.003% Peak 4267 (1.69, 2.24, 33.79 ppm): 36 chemical-shift based assignments, quality = 0.4, support = 1.88, residual support = 28.1: * O HB2 GLN 16 - HG3 GLN 16 2.778% * 41.7398% (0.20 10.0 1.00 3.42 63.73) = 41.740% kept T HG2 PRO 52 - HG3 GLN 16 2.778% * 21.5710% (1.00 1.0 10.00 0.20 0.12) = 21.571% kept O HB3 MET 126 - HG3 MET 126 2.778% * 12.1796% (0.12 10.0 1.00 1.00 0.67) = 12.180% kept O T HB3 MET 97 - HG3 MET 97 2.778% * 9.1204% (0.04 10.0 10.00 2.36 12.63) = 9.120% kept HG13 ILE 19 - HG3 GLN 16 2.778% * 7.8089% (0.96 1.0 1.00 0.77 1.50) = 7.809% kept T HG2 PRO 52 - HG3 GLN 102 2.778% * 1.3239% (0.63 1.0 10.00 0.02 0.02) = 1.324% kept HG13 ILE 19 - HG3 MET 97 2.778% * 1.2076% (0.13 1.0 1.00 0.85 7.98) = 1.208% kept HG13 ILE 19 - HG3 MET 126 2.778% * 0.9451% (0.30 1.0 1.00 0.30 0.02) = 0.945% T HB3 MET 97 - HG3 GLN 16 2.778% * 0.6510% (0.31 1.0 10.00 0.02 0.96) = 0.651% T HG2 PRO 52 - HG3 MET 126 2.778% * 0.6490% (0.31 1.0 10.00 0.02 0.02) = 0.649% T HB3 LYS+ 66 - HG3 GLN 16 2.778% * 0.4174% (0.20 1.0 10.00 0.02 0.02) = 0.417% T HB3 MET 97 - HG3 GLN 102 2.778% * 0.4086% (0.19 1.0 10.00 0.02 0.02) = 0.409% T HG2 PRO 52 - HG3 MET 97 2.778% * 0.2955% (0.14 1.0 10.00 0.02 0.02) = 0.295% T HB3 LYS+ 66 - HG3 GLN 102 2.778% * 0.2620% (0.12 1.0 10.00 0.02 0.02) = 0.262% T HB3 MET 97 - HG3 MET 126 2.778% * 0.2003% (0.09 1.0 10.00 0.02 0.02) = 0.200% HD3 LYS+ 55 - HG3 GLN 16 2.778% * 0.1892% (0.89 1.0 1.00 0.02 0.02) = 0.189% T HB3 LYS+ 66 - HG3 MET 126 2.778% * 0.1284% (0.06 1.0 10.00 0.02 0.02) = 0.128% HG13 ILE 19 - HG3 GLN 102 2.778% * 0.1278% (0.60 1.0 1.00 0.02 0.02) = 0.128% HD3 LYS+ 55 - HG3 GLN 102 2.778% * 0.1187% (0.56 1.0 1.00 0.02 0.02) = 0.119% HB3 LYS+ 81 - HG3 GLN 16 2.778% * 0.1110% (0.52 1.0 1.00 0.02 0.02) = 0.111% HB3 MET 126 - HG3 GLN 16 2.778% * 0.0792% (0.37 1.0 1.00 0.02 0.02) = 0.079% HB3 LYS+ 81 - HG3 GLN 102 2.778% * 0.0697% (0.33 1.0 1.00 0.02 0.02) = 0.070% T HB3 LYS+ 66 - HG3 MET 97 2.778% * 0.0585% (0.03 1.0 10.00 0.02 0.02) = 0.058% HD3 LYS+ 55 - HG3 MET 126 2.778% * 0.0582% (0.28 1.0 1.00 0.02 0.02) = 0.058% HB3 MET 126 - HG3 GLN 102 2.778% * 0.0497% (0.23 1.0 1.00 0.02 0.02) = 0.050% HB ILE 100 - HG3 GLN 16 2.778% * 0.0470% (0.22 1.0 1.00 0.02 0.02) = 0.047% HB3 LYS+ 81 - HG3 MET 126 2.778% * 0.0341% (0.16 1.0 1.00 0.02 0.02) = 0.034% HB ILE 100 - HG3 GLN 102 2.778% * 0.0295% (0.14 1.0 1.00 0.02 0.14) = 0.029% HD3 LYS+ 55 - HG3 MET 97 2.778% * 0.0265% (0.13 1.0 1.00 0.02 0.02) = 0.027% HB2 GLN 16 - HG3 GLN 102 2.778% * 0.0262% (0.12 1.0 1.00 0.02 1.68) = 0.026% HB3 LYS+ 81 - HG3 MET 97 2.778% * 0.0155% (0.07 1.0 1.00 0.02 0.02) = 0.016% HB ILE 100 - HG3 MET 126 2.778% * 0.0144% (0.07 1.0 1.00 0.02 0.02) = 0.014% HB2 GLN 16 - HG3 MET 126 2.778% * 0.0128% (0.06 1.0 1.00 0.02 0.02) = 0.013% HB3 MET 126 - HG3 MET 97 2.778% * 0.0111% (0.05 1.0 1.00 0.02 0.02) = 0.011% HB ILE 100 - HG3 MET 97 2.778% * 0.0066% (0.03 1.0 1.00 0.02 0.02) = 0.007% HB2 GLN 16 - HG3 MET 97 2.778% * 0.0058% (0.03 1.0 1.00 0.02 0.96) = 0.006% Peak 4268 (8.22, 1.14, 19.89 ppm): 10 chemical-shift based assignments, quality = 0.255, support = 0.926, residual support = 0.221: HN SER 49 - QB ALA 33 10.000% * 65.2228% (0.28 1.26 0.33) = 65.223% kept HN LYS+ 81 - QB ALA 33 10.000% * 16.5246% (0.20 0.44 0.02) = 16.525% kept HN GLY 58 - QB ALA 33 10.000% * 10.9960% (0.24 0.25 0.02) = 10.996% kept HN LEU 67 - QB ALA 33 10.000% * 2.8526% (0.20 0.08 0.02) = 2.853% kept HN VAL 94 - QB ALA 33 10.000% * 1.0345% (0.28 0.02 0.02) = 1.035% kept HN VAL 105 - QB ALA 33 10.000% * 1.0006% (0.27 0.02 0.02) = 1.001% kept HN ALA 11 - QB ALA 33 10.000% * 0.8377% (0.23 0.02 0.02) = 0.838% HN GLU- 45 - QB ALA 33 10.000% * 0.7462% (0.20 0.02 0.02) = 0.746% HN GLU- 12 - QB ALA 33 10.000% * 0.6069% (0.17 0.02 0.02) = 0.607% HN THR 106 - QB ALA 33 10.000% * 0.1780% (0.05 0.02 0.02) = 0.178% Reference assignment not found: HN GLN 16 - QB ALA 33 Peak 4269 (4.33, 4.28, 55.45 ppm): 3 chemical-shift based assignments, quality = 0.603, support = 0.0877, residual support = 0.106: HA ALA 93 - HA LEU 90 33.333% * 68.3294% (0.76 1.00 0.12 0.15) = 68.329% kept T HA ASP- 36 - HA LEU 90 33.333% * 23.1692% (0.15 10.00 0.02 0.02) = 23.169% kept HA ILE 29 - HA LEU 90 33.333% * 8.5015% (0.56 1.00 0.02 0.02) = 8.501% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 4270 (3.86, 1.98, 32.16 ppm): 40 chemical-shift based assignments, quality = 0.511, support = 2.9, residual support = 14.6: O HD2 PRO 86 - HB2 PRO 86 2.500% * 61.5510% (0.25 10.0 1.00 3.69 22.64) = 61.551% kept HB2 SER 85 - HB2 PRO 86 2.500% * 25.3970% (0.98 1.0 1.00 2.10 2.67) = 25.397% kept HB3 SER 88 - HB2 PRO 86 2.500% * 11.0052% (0.99 1.0 1.00 0.90 0.02) = 11.005% kept HA2 GLY 114 - HB2 PRO 86 2.500% * 0.2382% (0.96 1.0 1.00 0.02 0.02) = 0.238% HB3 SER 77 - HB2 PRO 86 2.500% * 0.2382% (0.96 1.0 1.00 0.02 0.02) = 0.238% HB3 SER 27 - HB2 PRO 86 2.500% * 0.1977% (0.80 1.0 1.00 0.02 0.02) = 0.198% HA GLU- 45 - HB2 PRO 86 2.500% * 0.1886% (0.76 1.0 1.00 0.02 0.02) = 0.189% T HA GLU- 45 - HB3 GLU- 75 2.500% * 0.1621% (0.07 1.0 10.00 0.02 0.11) = 0.162% HA LYS+ 117 - HB2 PRO 86 2.500% * 0.1299% (0.53 1.0 1.00 0.02 0.02) = 0.130% HD3 PRO 35 - HB2 PRO 86 2.500% * 0.0926% (0.38 1.0 1.00 0.02 0.02) = 0.093% T HD3 PRO 35 - HB3 GLU- 75 2.500% * 0.0796% (0.03 1.0 10.00 0.02 0.02) = 0.080% HD2 PRO 116 - HB2 PRO 86 2.500% * 0.0762% (0.31 1.0 1.00 0.02 0.02) = 0.076% T HD2 PRO 116 - HB3 GLU- 75 2.500% * 0.0655% (0.03 1.0 10.00 0.02 0.02) = 0.065% T HD2 PRO 86 - HB3 GLU- 75 2.500% * 0.0529% (0.02 1.0 10.00 0.02 0.02) = 0.053% HB3 SER 88 - HB VAL 73 2.500% * 0.0369% (0.15 1.0 1.00 0.02 0.02) = 0.037% HB2 SER 85 - HB VAL 73 2.500% * 0.0365% (0.15 1.0 1.00 0.02 0.02) = 0.036% HA2 GLY 114 - HB VAL 73 2.500% * 0.0359% (0.15 1.0 1.00 0.02 0.02) = 0.036% HB3 SER 77 - HB VAL 73 2.500% * 0.0359% (0.15 1.0 1.00 0.02 0.02) = 0.036% HB3 SER 27 - HB VAL 73 2.500% * 0.0298% (0.12 1.0 1.00 0.02 0.02) = 0.030% HA GLU- 45 - HB VAL 73 2.500% * 0.0284% (0.12 1.0 1.00 0.02 1.63) = 0.028% HB3 SER 88 - HB2 GLU- 75 2.500% * 0.0224% (0.09 1.0 1.00 0.02 0.02) = 0.022% HB2 SER 85 - HB2 GLU- 75 2.500% * 0.0222% (0.09 1.0 1.00 0.02 0.02) = 0.022% HB3 SER 77 - HB2 GLU- 75 2.500% * 0.0218% (0.09 1.0 1.00 0.02 0.02) = 0.022% HA2 GLY 114 - HB2 GLU- 75 2.500% * 0.0218% (0.09 1.0 1.00 0.02 0.02) = 0.022% HB3 SER 88 - HB3 GLU- 75 2.500% * 0.0210% (0.09 1.0 1.00 0.02 0.02) = 0.021% HB2 SER 85 - HB3 GLU- 75 2.500% * 0.0208% (0.08 1.0 1.00 0.02 0.02) = 0.021% HB3 SER 77 - HB3 GLU- 75 2.500% * 0.0205% (0.08 1.0 1.00 0.02 0.02) = 0.020% HA2 GLY 114 - HB3 GLU- 75 2.500% * 0.0205% (0.08 1.0 1.00 0.02 0.02) = 0.020% HA LYS+ 117 - HB VAL 73 2.500% * 0.0196% (0.08 1.0 1.00 0.02 0.13) = 0.020% HB3 SER 27 - HB2 GLU- 75 2.500% * 0.0181% (0.07 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 45 - HB2 GLU- 75 2.500% * 0.0173% (0.07 1.0 1.00 0.02 0.11) = 0.017% HB3 SER 27 - HB3 GLU- 75 2.500% * 0.0170% (0.07 1.0 1.00 0.02 0.02) = 0.017% HD3 PRO 35 - HB VAL 73 2.500% * 0.0140% (0.06 1.0 1.00 0.02 0.02) = 0.014% HA LYS+ 117 - HB2 GLU- 75 2.500% * 0.0119% (0.05 1.0 1.00 0.02 0.02) = 0.012% HD2 PRO 116 - HB VAL 73 2.500% * 0.0115% (0.05 1.0 1.00 0.02 0.02) = 0.011% HA LYS+ 117 - HB3 GLU- 75 2.500% * 0.0112% (0.05 1.0 1.00 0.02 0.02) = 0.011% HD2 PRO 86 - HB VAL 73 2.500% * 0.0093% (0.04 1.0 1.00 0.02 0.02) = 0.009% HD3 PRO 35 - HB2 GLU- 75 2.500% * 0.0085% (0.03 1.0 1.00 0.02 0.02) = 0.008% HD2 PRO 116 - HB2 GLU- 75 2.500% * 0.0070% (0.03 1.0 1.00 0.02 0.02) = 0.007% HD2 PRO 86 - HB2 GLU- 75 2.500% * 0.0056% (0.02 1.0 1.00 0.02 0.02) = 0.006% Reference assignment not found: HD3 PRO 86 - HB2 PRO 86 Peak 4271 (1.98, 1.98, 32.16 ppm): 2 diagonal assignments: * HB2 PRO 86 - HB2 PRO 86 (0.96) kept HB VAL 73 - HB VAL 73 (0.14) kept Peak 4272 (4.48, 2.32, 32.16 ppm): 27 chemical-shift based assignments, quality = 0.94, support = 1.19, residual support = 1.04: HA ILE 100 - HB3 PRO 86 3.704% * 25.6440% (0.94 1.27 1.16) = 25.644% kept HA GLN 102 - HB3 PRO 86 3.704% * 25.6440% (0.94 1.27 1.16) = 25.644% kept HA MET 126 - HB3 PRO 86 3.704% * 24.5081% (0.99 1.15 0.68) = 24.508% kept HA LYS+ 32 - HB3 PRO 86 3.704% * 22.7609% (0.94 1.13 1.25) = 22.761% kept HA CYS 123 - HB3 PRO 86 3.704% * 0.2074% (0.48 0.02 0.02) = 0.207% HA SER 77 - HB3 PRO 86 3.704% * 0.2074% (0.48 0.02 0.02) = 0.207% HA GLU- 50 - HB3 PRO 86 3.704% * 0.1911% (0.45 0.02 0.02) = 0.191% HA MET 118 - HB3 PRO 86 3.704% * 0.1185% (0.28 0.02 0.02) = 0.118% HA MET 126 - HB3 PRO 116 3.704% * 0.0866% (0.20 0.02 0.02) = 0.087% HB THR 79 - HB3 PRO 86 3.704% * 0.0843% (0.20 0.02 0.02) = 0.084% HA GLN 102 - HB3 PRO 116 3.704% * 0.0819% (0.19 0.02 0.02) = 0.082% HA ILE 100 - HB3 PRO 116 3.704% * 0.0819% (0.19 0.02 0.02) = 0.082% HA LYS+ 32 - HB3 PRO 116 3.704% * 0.0819% (0.19 0.02 0.02) = 0.082% HA SER 77 - HB3 PRO 116 3.704% * 0.0422% (0.10 0.02 0.02) = 0.042% HA CYS 123 - HB3 PRO 116 3.704% * 0.0422% (0.10 0.02 0.02) = 0.042% HA GLU- 50 - HB3 PRO 116 3.704% * 0.0388% (0.09 0.02 0.02) = 0.039% HA MET 118 - HB3 PRO 116 3.704% * 0.0241% (0.06 0.02 0.02) = 0.024% HA MET 126 - HB2 GLU- 64 3.704% * 0.0240% (0.06 0.02 0.02) = 0.024% HA ILE 100 - HB2 GLU- 64 3.704% * 0.0227% (0.05 0.02 0.02) = 0.023% HA GLN 102 - HB2 GLU- 64 3.704% * 0.0227% (0.05 0.02 0.02) = 0.023% HA LYS+ 32 - HB2 GLU- 64 3.704% * 0.0227% (0.05 0.02 0.02) = 0.023% HB THR 79 - HB3 PRO 116 3.704% * 0.0171% (0.04 0.02 0.02) = 0.017% HA SER 77 - HB2 GLU- 64 3.704% * 0.0117% (0.03 0.02 0.02) = 0.012% HA CYS 123 - HB2 GLU- 64 3.704% * 0.0117% (0.03 0.02 0.02) = 0.012% HA GLU- 50 - HB2 GLU- 64 3.704% * 0.0107% (0.03 0.02 0.02) = 0.011% HA MET 118 - HB2 GLU- 64 3.704% * 0.0067% (0.02 0.02 0.02) = 0.007% HB THR 79 - HB2 GLU- 64 3.704% * 0.0047% (0.01 0.02 0.02) = 0.005% Reference assignment not found: HA PRO 86 - HB3 PRO 86 Peak 4273 (4.48, 1.98, 32.16 ppm): 36 chemical-shift based assignments, quality = 0.92, support = 1.45, residual support = 1.05: HA LYS+ 32 - HB2 PRO 86 2.778% * 32.2228% (0.95 1.93 1.25) = 32.223% kept HA GLN 102 - HB2 PRO 86 2.778% * 21.5143% (0.95 1.29 1.16) = 21.514% kept HA ILE 100 - HB2 PRO 86 2.778% * 21.5143% (0.95 1.29 1.16) = 21.514% kept HA MET 126 - HB2 PRO 86 2.778% * 20.5811% (1.00 1.17 0.68) = 20.581% kept HA GLN 102 - HB3 GLU- 75 2.778% * 1.9061% (0.08 1.33 0.55) = 1.906% kept HA LYS+ 32 - HB VAL 73 2.778% * 1.0090% (0.14 0.40 0.02) = 1.009% kept HA SER 77 - HB2 PRO 86 2.778% * 0.1714% (0.49 0.02 0.02) = 0.171% HA CYS 123 - HB2 PRO 86 2.778% * 0.1714% (0.49 0.02 0.02) = 0.171% HA GLU- 50 - HB2 PRO 86 2.778% * 0.1579% (0.45 0.02 0.02) = 0.158% HA MET 118 - HB2 PRO 86 2.778% * 0.0979% (0.28 0.02 0.02) = 0.098% HB THR 79 - HB2 PRO 86 2.778% * 0.0697% (0.20 0.02 0.02) = 0.070% HA MET 126 - HB VAL 73 2.778% * 0.0531% (0.15 0.02 0.02) = 0.053% HA GLN 102 - HB VAL 73 2.778% * 0.0502% (0.14 0.02 0.02) = 0.050% HA ILE 100 - HB VAL 73 2.778% * 0.0502% (0.14 0.02 0.02) = 0.050% HA MET 126 - HB2 GLU- 75 2.778% * 0.0323% (0.09 0.02 0.02) = 0.032% HA GLN 102 - HB2 GLU- 75 2.778% * 0.0305% (0.09 0.02 0.55) = 0.031% HA ILE 100 - HB2 GLU- 75 2.778% * 0.0305% (0.09 0.02 0.02) = 0.031% HA LYS+ 32 - HB2 GLU- 75 2.778% * 0.0305% (0.09 0.02 0.02) = 0.031% HA MET 126 - HB3 GLU- 75 2.778% * 0.0303% (0.09 0.02 0.02) = 0.030% HA ILE 100 - HB3 GLU- 75 2.778% * 0.0286% (0.08 0.02 0.02) = 0.029% HA LYS+ 32 - HB3 GLU- 75 2.778% * 0.0286% (0.08 0.02 0.02) = 0.029% HA CYS 123 - HB VAL 73 2.778% * 0.0258% (0.07 0.02 0.02) = 0.026% HA SER 77 - HB VAL 73 2.778% * 0.0258% (0.07 0.02 0.02) = 0.026% HA GLU- 50 - HB VAL 73 2.778% * 0.0238% (0.07 0.02 0.02) = 0.024% HA CYS 123 - HB2 GLU- 75 2.778% * 0.0157% (0.04 0.02 0.02) = 0.016% HA SER 77 - HB2 GLU- 75 2.778% * 0.0157% (0.04 0.02 0.02) = 0.016% HA MET 118 - HB VAL 73 2.778% * 0.0148% (0.04 0.02 0.02) = 0.015% HA SER 77 - HB3 GLU- 75 2.778% * 0.0147% (0.04 0.02 0.02) = 0.015% HA CYS 123 - HB3 GLU- 75 2.778% * 0.0147% (0.04 0.02 0.02) = 0.015% HA GLU- 50 - HB2 GLU- 75 2.778% * 0.0145% (0.04 0.02 0.43) = 0.014% HA GLU- 50 - HB3 GLU- 75 2.778% * 0.0136% (0.04 0.02 0.43) = 0.014% HB THR 79 - HB VAL 73 2.778% * 0.0105% (0.03 0.02 0.02) = 0.011% HA MET 118 - HB2 GLU- 75 2.778% * 0.0090% (0.03 0.02 0.02) = 0.009% HA MET 118 - HB3 GLU- 75 2.778% * 0.0084% (0.02 0.02 0.02) = 0.008% HB THR 79 - HB2 GLU- 75 2.778% * 0.0064% (0.02 0.02 0.02) = 0.006% HB THR 79 - HB3 GLU- 75 2.778% * 0.0060% (0.02 0.02 0.02) = 0.006% Reference assignment not found: HA PRO 86 - HB2 PRO 86 Peak 4274 (3.83, 3.83, 51.25 ppm): 3 diagonal assignments: * HD3 PRO 86 - HD3 PRO 86 (0.77) kept HD3 PRO 116 - HD3 PRO 116 (0.52) kept HD3 PRO 112 - HD3 PRO 112 (0.02) kept Peak 4275 (2.33, 3.83, 51.25 ppm): 21 chemical-shift based assignments, quality = 0.729, support = 3.54, residual support = 22.8: * O HB3 PRO 86 - HD3 PRO 86 4.762% * 79.2379% (0.89 10.0 1.00 3.53 22.64) = 79.238% kept O HB3 PRO 116 - HD3 PRO 116 4.762% * 12.7957% (0.14 10.0 1.00 3.30 17.74) = 12.796% kept O HG2 PRO 112 - HD3 PRO 112 4.762% * 6.4463% (0.07 10.0 1.00 4.90 39.48) = 6.446% kept T HG2 PRO 112 - HD3 PRO 86 4.762% * 0.7144% (0.80 1.0 10.00 0.02 0.02) = 0.714% T HG2 PRO 112 - HD3 PRO 116 4.762% * 0.4465% (0.50 1.0 10.00 0.02 0.02) = 0.446% HB2 TYR 83 - HD3 PRO 86 4.762% * 0.0805% (0.90 1.0 1.00 0.02 0.02) = 0.080% HB2 TYR 83 - HD3 PRO 116 4.762% * 0.0503% (0.57 1.0 1.00 0.02 0.02) = 0.050% HB3 PRO 86 - HD3 PRO 116 4.762% * 0.0495% (0.56 1.0 1.00 0.02 0.02) = 0.050% HG3 GLU- 56 - HD3 PRO 86 4.762% * 0.0465% (0.52 1.0 1.00 0.02 0.02) = 0.046% HG3 GLU- 56 - HD3 PRO 116 4.762% * 0.0291% (0.33 1.0 1.00 0.02 0.02) = 0.029% HG2 GLU- 64 - HD3 PRO 86 4.762% * 0.0253% (0.28 1.0 1.00 0.02 0.02) = 0.025% HB3 PRO 116 - HD3 PRO 86 4.762% * 0.0205% (0.23 1.0 1.00 0.02 0.02) = 0.020% HG2 GLU- 64 - HD3 PRO 116 4.762% * 0.0158% (0.18 1.0 1.00 0.02 0.02) = 0.016% HB2 GLU- 64 - HD3 PRO 86 4.762% * 0.0111% (0.12 1.0 1.00 0.02 0.02) = 0.011% HB2 TYR 83 - HD3 PRO 112 4.762% * 0.0073% (0.08 1.0 1.00 0.02 0.24) = 0.007% HB3 PRO 86 - HD3 PRO 112 4.762% * 0.0072% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB2 GLU- 64 - HD3 PRO 116 4.762% * 0.0069% (0.08 1.0 1.00 0.02 0.02) = 0.007% HG3 GLU- 56 - HD3 PRO 112 4.762% * 0.0042% (0.05 1.0 1.00 0.02 0.14) = 0.004% HG2 GLU- 64 - HD3 PRO 112 4.762% * 0.0023% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB3 PRO 116 - HD3 PRO 112 4.762% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB2 GLU- 64 - HD3 PRO 112 4.762% * 0.0010% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 4276 (1.98, 3.83, 51.25 ppm): 45 chemical-shift based assignments, quality = 0.76, support = 3.33, residual support = 22.2: * O T HB2 PRO 86 - HD3 PRO 86 2.222% * 80.7515% (0.92 10.0 10.00 3.57 22.64) = 80.752% kept O HG3 PRO 116 - HD3 PRO 116 2.222% * 11.2612% (0.13 10.0 1.00 2.21 17.74) = 11.261% kept O HG2 PRO 112 - HD3 PRO 112 2.222% * 3.5505% (0.04 10.0 1.00 4.90 39.48) = 3.551% kept O HG3 PRO 112 - HD3 PRO 112 2.222% * 1.3969% (0.02 10.0 1.00 1.93 39.48) = 1.397% kept T HB VAL 73 - HD3 PRO 86 2.222% * 0.6185% (0.71 1.0 10.00 0.02 0.02) = 0.618% T HB2 PRO 86 - HD3 PRO 116 2.222% * 0.5047% (0.58 1.0 10.00 0.02 0.02) = 0.505% T HG2 PRO 112 - HD3 PRO 86 2.222% * 0.3935% (0.45 1.0 10.00 0.02 0.02) = 0.393% T HB VAL 73 - HD3 PRO 116 2.222% * 0.3866% (0.44 1.0 10.00 0.02 0.02) = 0.387% T HG2 PRO 112 - HD3 PRO 116 2.222% * 0.2459% (0.28 1.0 10.00 0.02 0.02) = 0.246% T HG3 PRO 112 - HD3 PRO 86 2.222% * 0.1602% (0.18 1.0 10.00 0.02 0.02) = 0.160% T HG3 PRO 112 - HD3 PRO 116 2.222% * 0.1001% (0.11 1.0 10.00 0.02 0.02) = 0.100% HB2 LYS+ 108 - HD3 PRO 86 2.222% * 0.0781% (0.89 1.0 1.00 0.02 0.02) = 0.078% HB3 GLU- 56 - HD3 PRO 86 2.222% * 0.0747% (0.85 1.0 1.00 0.02 0.02) = 0.075% HG3 PRO 104 - HD3 PRO 86 2.222% * 0.0676% (0.77 1.0 1.00 0.02 0.02) = 0.068% HB2 LYS+ 108 - HD3 PRO 116 2.222% * 0.0488% (0.56 1.0 1.00 0.02 0.02) = 0.049% HB3 GLU- 56 - HD3 PRO 116 2.222% * 0.0467% (0.53 1.0 1.00 0.02 0.02) = 0.047% HG3 PRO 104 - HD3 PRO 116 2.222% * 0.0422% (0.48 1.0 1.00 0.02 0.02) = 0.042% HB3 GLU- 109 - HD3 PRO 86 2.222% * 0.0276% (0.31 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 118 - HD3 PRO 86 2.222% * 0.0202% (0.23 1.0 1.00 0.02 0.02) = 0.020% HB2 HIS+ 14 - HD3 PRO 86 2.222% * 0.0202% (0.23 1.0 1.00 0.02 0.02) = 0.020% HB VAL 13 - HD3 PRO 86 2.222% * 0.0202% (0.23 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 116 - HD3 PRO 86 2.222% * 0.0180% (0.21 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 109 - HD3 PRO 116 2.222% * 0.0173% (0.20 1.0 1.00 0.02 0.02) = 0.017% HB2 GLU- 18 - HD3 PRO 86 2.222% * 0.0142% (0.16 1.0 1.00 0.02 0.02) = 0.014% HB2 PRO 35 - HD3 PRO 86 2.222% * 0.0142% (0.16 1.0 1.00 0.02 0.02) = 0.014% HB2 HIS+ 14 - HD3 PRO 116 2.222% * 0.0126% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB3 MET 118 - HD3 PRO 116 2.222% * 0.0126% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB VAL 13 - HD3 PRO 116 2.222% * 0.0126% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB3 GLU- 75 - HD3 PRO 86 2.222% * 0.0117% (0.13 1.0 1.00 0.02 0.02) = 0.012% HB2 GLU- 18 - HD3 PRO 116 2.222% * 0.0089% (0.10 1.0 1.00 0.02 0.02) = 0.009% HB2 PRO 35 - HD3 PRO 116 2.222% * 0.0089% (0.10 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 75 - HD3 PRO 116 2.222% * 0.0073% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB2 PRO 86 - HD3 PRO 112 2.222% * 0.0073% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 108 - HD3 PRO 112 2.222% * 0.0070% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB3 GLU- 56 - HD3 PRO 112 2.222% * 0.0067% (0.08 1.0 1.00 0.02 0.14) = 0.007% HG3 PRO 104 - HD3 PRO 112 2.222% * 0.0061% (0.07 1.0 1.00 0.02 3.72) = 0.006% HB VAL 73 - HD3 PRO 112 2.222% * 0.0056% (0.06 1.0 1.00 0.02 0.41) = 0.006% HB3 GLU- 109 - HD3 PRO 112 2.222% * 0.0025% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB2 HIS+ 14 - HD3 PRO 112 2.222% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 MET 118 - HD3 PRO 112 2.222% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB VAL 13 - HD3 PRO 112 2.222% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 116 - HD3 PRO 112 2.222% * 0.0016% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB2 GLU- 18 - HD3 PRO 112 2.222% * 0.0013% (0.01 1.0 1.00 0.02 0.12) = 0.001% HB2 PRO 35 - HD3 PRO 112 2.222% * 0.0013% (0.01 1.0 1.00 0.02 1.64) = 0.001% HB3 GLU- 75 - HD3 PRO 112 2.222% * 0.0011% (0.01 1.0 1.00 0.02 0.30) = 0.001% Peak 4277 (7.79, 2.32, 32.16 ppm): 12 chemical-shift based assignments, quality = 0.99, support = 3.7, residual support = 20.3: * O HN VAL 87 - HB3 PRO 86 8.333% * 99.7369% (0.99 10.0 3.71 20.31) = 99.737% kept HN THR 46 - HB3 PRO 86 8.333% * 0.1000% (0.99 1.0 0.02 0.02) = 0.100% HN ALA 93 - HB3 PRO 86 8.333% * 0.0606% (0.60 1.0 0.02 0.02) = 0.061% HN LYS+ 55 - HB3 PRO 86 8.333% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HN THR 46 - HB3 PRO 116 8.333% * 0.0203% (0.20 1.0 0.02 0.02) = 0.020% HN VAL 87 - HB3 PRO 116 8.333% * 0.0203% (0.20 1.0 0.02 0.02) = 0.020% HN ALA 93 - HB3 PRO 116 8.333% * 0.0123% (0.12 1.0 0.02 0.02) = 0.012% HN LYS+ 55 - HB3 PRO 116 8.333% * 0.0056% (0.06 1.0 0.02 0.02) = 0.006% HN THR 46 - HB2 GLU- 64 8.333% * 0.0056% (0.06 1.0 0.02 0.02) = 0.006% HN VAL 87 - HB2 GLU- 64 8.333% * 0.0056% (0.06 1.0 0.02 0.02) = 0.006% HN ALA 93 - HB2 GLU- 64 8.333% * 0.0034% (0.03 1.0 0.02 0.02) = 0.003% HN LYS+ 55 - HB2 GLU- 64 8.333% * 0.0016% (0.02 1.0 0.02 0.02) = 0.002% Peak 4278 (7.79, 1.98, 32.16 ppm): 16 chemical-shift based assignments, quality = 0.989, support = 3.62, residual support = 20.1: * O HN VAL 87 - HB2 PRO 86 6.250% * 99.1652% (1.00 10.0 3.65 20.31) = 99.165% kept HN ALA 93 - HB2 PRO 86 6.250% * 0.5866% (0.61 1.0 0.19 0.02) = 0.587% HN THR 46 - HB2 PRO 86 6.250% * 0.0994% (1.00 1.0 0.02 0.02) = 0.099% HN ALA 93 - HB3 GLU- 75 6.250% * 0.0323% (0.05 1.0 0.12 0.02) = 0.032% HN LYS+ 55 - HB2 PRO 86 6.250% * 0.0276% (0.28 1.0 0.02 0.02) = 0.028% HN THR 46 - HB VAL 73 6.250% * 0.0150% (0.15 1.0 0.02 0.02) = 0.015% HN VAL 87 - HB VAL 73 6.250% * 0.0150% (0.15 1.0 0.02 0.02) = 0.015% HN THR 46 - HB2 GLU- 75 6.250% * 0.0091% (0.09 1.0 0.02 0.02) = 0.009% HN ALA 93 - HB VAL 73 6.250% * 0.0091% (0.09 1.0 0.02 0.02) = 0.009% HN VAL 87 - HB2 GLU- 75 6.250% * 0.0091% (0.09 1.0 0.02 0.02) = 0.009% HN THR 46 - HB3 GLU- 75 6.250% * 0.0085% (0.09 1.0 0.02 0.02) = 0.009% HN VAL 87 - HB3 GLU- 75 6.250% * 0.0085% (0.09 1.0 0.02 0.02) = 0.009% HN ALA 93 - HB2 GLU- 75 6.250% * 0.0055% (0.06 1.0 0.02 0.02) = 0.006% HN LYS+ 55 - HB VAL 73 6.250% * 0.0042% (0.04 1.0 0.02 0.02) = 0.004% HN LYS+ 55 - HB2 GLU- 75 6.250% * 0.0025% (0.03 1.0 0.02 0.02) = 0.003% HN LYS+ 55 - HB3 GLU- 75 6.250% * 0.0024% (0.02 1.0 0.02 0.02) = 0.002% Peak 4279 (3.86, 2.05, 27.61 ppm): 40 chemical-shift based assignments, quality = 0.449, support = 2.68, residual support = 13.4: O T HD2 PRO 86 - HG3 PRO 86 2.500% * 43.7179% (0.37 10.0 10.00 3.55 22.64) = 43.718% kept O T HD2 PRO 116 - HG2 PRO 116 2.500% * 17.0965% (0.15 10.0 10.00 4.59 17.74) = 17.096% kept T HA GLU- 45 - HG3 PRO 86 2.500% * 11.9113% (0.89 1.0 10.00 0.23 0.02) = 11.911% kept HB2 SER 85 - HG3 PRO 86 2.500% * 11.1309% (0.99 1.0 1.00 1.92 2.67) = 11.131% kept T HA GLU- 45 - HG2 PRO 112 2.500% * 4.7891% (0.13 1.0 10.00 0.61 0.28) = 4.789% kept HB3 SER 88 - HG3 PRO 86 2.500% * 3.4622% (0.98 1.0 1.00 0.60 0.02) = 3.462% kept T HD3 PRO 35 - HG2 PRO 112 2.500% * 3.3113% (0.08 1.0 10.00 0.72 1.64) = 3.311% kept HA LYS+ 117 - HG2 PRO 116 2.500% * 1.5764% (0.12 1.0 1.00 2.20 3.61) = 1.576% kept T HD3 PRO 35 - HG3 PRO 86 2.500% * 0.6129% (0.52 1.0 10.00 0.02 0.02) = 0.613% T HD2 PRO 116 - HG3 PRO 86 2.500% * 0.5222% (0.44 1.0 10.00 0.02 0.02) = 0.522% HB3 SER 77 - HG2 PRO 112 2.500% * 0.3284% (0.15 1.0 1.00 0.38 0.02) = 0.328% HB2 SER 85 - HG2 PRO 112 2.500% * 0.2231% (0.15 1.0 1.00 0.26 0.02) = 0.223% T HD3 PRO 35 - HG2 PRO 116 2.500% * 0.2006% (0.17 1.0 10.00 0.02 0.02) = 0.201% T HD2 PRO 86 - HG2 PRO 116 2.500% * 0.1431% (0.12 1.0 10.00 0.02 0.02) = 0.143% HA2 GLY 114 - HG3 PRO 86 2.500% * 0.1165% (0.99 1.0 1.00 0.02 0.02) = 0.116% HB3 SER 77 - HG3 PRO 86 2.500% * 0.1165% (0.99 1.0 1.00 0.02 0.02) = 0.116% HB3 SER 27 - HG3 PRO 86 2.500% * 0.1075% (0.92 1.0 1.00 0.02 0.02) = 0.108% HB3 SER 88 - HG2 PRO 112 2.500% * 0.0939% (0.15 1.0 1.00 0.11 0.02) = 0.094% T HD2 PRO 116 - HG2 PRO 112 2.500% * 0.0781% (0.07 1.0 10.00 0.02 0.02) = 0.078% T HD2 PRO 86 - HG2 PRO 112 2.500% * 0.0653% (0.06 1.0 10.00 0.02 0.02) = 0.065% HA LYS+ 117 - HG3 PRO 86 2.500% * 0.0437% (0.37 1.0 1.00 0.02 0.02) = 0.044% HA2 GLY 114 - HG2 PRO 116 2.500% * 0.0381% (0.32 1.0 1.00 0.02 0.48) = 0.038% HB3 SER 77 - HG2 PRO 116 2.500% * 0.0381% (0.32 1.0 1.00 0.02 0.02) = 0.038% HB2 SER 85 - HG2 PRO 116 2.500% * 0.0380% (0.32 1.0 1.00 0.02 0.02) = 0.038% HB3 SER 88 - HG2 PRO 116 2.500% * 0.0378% (0.32 1.0 1.00 0.02 0.02) = 0.038% HB3 SER 27 - HG2 PRO 116 2.500% * 0.0352% (0.30 1.0 1.00 0.02 0.02) = 0.035% HA GLU- 45 - HG2 PRO 116 2.500% * 0.0342% (0.29 1.0 1.00 0.02 0.02) = 0.034% T HD3 PRO 35 - HG3 PRO 112 2.500% * 0.0244% (0.02 1.0 10.00 0.02 1.64) = 0.024% T HD2 PRO 116 - HG3 PRO 112 2.500% * 0.0208% (0.02 1.0 10.00 0.02 0.02) = 0.021% HA2 GLY 114 - HG2 PRO 112 2.500% * 0.0174% (0.15 1.0 1.00 0.02 0.02) = 0.017% T HD2 PRO 86 - HG3 PRO 112 2.500% * 0.0174% (0.01 1.0 10.00 0.02 0.02) = 0.017% HB3 SER 27 - HG2 PRO 112 2.500% * 0.0161% (0.14 1.0 1.00 0.02 0.02) = 0.016% HA LYS+ 117 - HG2 PRO 112 2.500% * 0.0065% (0.06 1.0 1.00 0.02 0.02) = 0.007% HB3 SER 77 - HG3 PRO 112 2.500% * 0.0046% (0.04 1.0 1.00 0.02 0.02) = 0.005% HA2 GLY 114 - HG3 PRO 112 2.500% * 0.0046% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB2 SER 85 - HG3 PRO 112 2.500% * 0.0046% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB3 SER 88 - HG3 PRO 112 2.500% * 0.0046% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB3 SER 27 - HG3 PRO 112 2.500% * 0.0043% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA GLU- 45 - HG3 PRO 112 2.500% * 0.0042% (0.04 1.0 1.00 0.02 0.28) = 0.004% HA LYS+ 117 - HG3 PRO 112 2.500% * 0.0017% (0.01 1.0 1.00 0.02 0.02) = 0.002% Reference assignment not found: HD3 PRO 86 - HG3 PRO 86 Peak 4280 (2.05, 2.05, 27.61 ppm): 2 diagonal assignments: * HG3 PRO 86 - HG3 PRO 86 (0.98) kept HG2 PRO 112 - HG2 PRO 112 (0.10) kept Peak 4281 (7.80, 2.05, 27.61 ppm): 20 chemical-shift based assignments, quality = 0.7, support = 3.42, residual support = 18.5: * HN VAL 87 - HG3 PRO 86 5.000% * 91.1739% (0.76 3.70 20.31) = 91.174% kept HN LYS+ 55 - HG2 PRO 112 5.000% * 4.0230% (0.11 1.15 0.68) = 4.023% kept HN VAL 87 - HG2 PRO 116 5.000% * 1.3118% (0.25 0.16 0.02) = 1.312% kept HN THR 46 - HG2 PRO 112 5.000% * 1.0237% (0.11 0.29 0.02) = 1.024% kept HN ALA 93 - HG3 PRO 86 5.000% * 0.6329% (0.97 0.02 0.02) = 0.633% HN LYS+ 55 - HG3 PRO 86 5.000% * 0.4688% (0.72 0.02 0.02) = 0.469% HN THR 46 - HG3 PRO 86 5.000% * 0.4688% (0.72 0.02 0.02) = 0.469% HN ALA 93 - HG2 PRO 116 5.000% * 0.2072% (0.32 0.02 0.02) = 0.207% HN LYS+ 55 - HG2 PRO 116 5.000% * 0.1535% (0.24 0.02 0.02) = 0.153% HN THR 46 - HG2 PRO 116 5.000% * 0.1535% (0.24 0.02 0.02) = 0.153% HN ALA 93 - HG2 PRO 112 5.000% * 0.0946% (0.15 0.02 0.02) = 0.095% HN LYS+ 63 - HG3 PRO 86 5.000% * 0.0874% (0.13 0.02 0.02) = 0.087% HN VAL 87 - HG2 PRO 112 5.000% * 0.0737% (0.11 0.02 0.02) = 0.074% HN LYS+ 63 - HG2 PRO 116 5.000% * 0.0286% (0.04 0.02 0.25) = 0.029% HN ALA 93 - HG3 PRO 112 5.000% * 0.0252% (0.04 0.02 0.02) = 0.025% HN VAL 87 - HG3 PRO 112 5.000% * 0.0196% (0.03 0.02 0.02) = 0.020% HN LYS+ 55 - HG3 PRO 112 5.000% * 0.0186% (0.03 0.02 0.68) = 0.019% HN THR 46 - HG3 PRO 112 5.000% * 0.0186% (0.03 0.02 0.02) = 0.019% HN LYS+ 63 - HG2 PRO 112 5.000% * 0.0131% (0.02 0.02 0.02) = 0.013% HN LYS+ 63 - HG3 PRO 112 5.000% * 0.0035% (0.01 0.02 0.02) = 0.003% Peak 4282 (1.63, 1.63, 26.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HG LEU 90 - HG LEU 90 Peak unassigned. Peak 4283 (4.30, 1.63, 26.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA LEU 90 - HG LEU 90 Peak unassigned. Peak 4284 (2.89, 1.63, 26.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4285 (4.14, 1.90, 30.28 ppm): 36 chemical-shift based assignments, quality = 0.761, support = 3.41, residual support = 32.5: * O T HA ARG+ 53 - HB3 ARG+ 53 2.778% * 83.9150% (0.78 10.0 10.00 4.00 38.76) = 83.915% kept T HA ARG+ 53 - HD3 LYS+ 63 2.778% * 14.8462% (0.74 1.0 10.00 0.37 0.02) = 14.846% kept HA2 GLY 71 - HB3 ARG+ 53 2.778% * 0.1046% (0.97 1.0 1.00 0.02 0.02) = 0.105% HB3 SER 49 - HB3 ARG+ 53 2.778% * 0.1037% (0.96 1.0 1.00 0.02 0.02) = 0.104% HA LYS+ 110 - HB3 ARG+ 53 2.778% * 0.1027% (0.95 1.0 1.00 0.02 0.02) = 0.103% HB2 SER 88 - HB3 ARG+ 53 2.778% * 0.0991% (0.92 1.0 1.00 0.02 0.02) = 0.099% HA2 GLY 71 - HD3 LYS+ 63 2.778% * 0.0990% (0.92 1.0 1.00 0.02 0.02) = 0.099% HB3 SER 49 - HD3 LYS+ 63 2.778% * 0.0982% (0.91 1.0 1.00 0.02 0.02) = 0.098% HA LYS+ 110 - HD3 LYS+ 63 2.778% * 0.0973% (0.90 1.0 1.00 0.02 0.02) = 0.097% HB2 SER 88 - HD3 LYS+ 63 2.778% * 0.0939% (0.87 1.0 1.00 0.02 0.02) = 0.094% HA VAL 87 - HB3 ARG+ 53 2.778% * 0.0636% (0.59 1.0 1.00 0.02 0.02) = 0.064% HA VAL 87 - HD3 LYS+ 63 2.778% * 0.0602% (0.56 1.0 1.00 0.02 0.02) = 0.060% HA VAL 105 - HB3 ARG+ 53 2.778% * 0.0261% (0.24 1.0 1.00 0.02 0.02) = 0.026% HB THR 106 - HB3 ARG+ 53 2.778% * 0.0261% (0.24 1.0 1.00 0.02 0.02) = 0.026% HB THR 106 - HD3 LYS+ 63 2.778% * 0.0247% (0.23 1.0 1.00 0.02 0.02) = 0.025% HA VAL 105 - HD3 LYS+ 63 2.778% * 0.0247% (0.23 1.0 1.00 0.02 0.02) = 0.025% HA2 GLY 71 - HB2 GLU- 10 2.778% * 0.0226% (0.21 1.0 1.00 0.02 0.02) = 0.023% HB3 SER 49 - HB2 GLU- 10 2.778% * 0.0224% (0.21 1.0 1.00 0.02 0.02) = 0.022% HA LYS+ 110 - HB2 GLU- 10 2.778% * 0.0222% (0.21 1.0 1.00 0.02 0.02) = 0.022% HB2 SER 88 - HB2 GLU- 10 2.778% * 0.0214% (0.20 1.0 1.00 0.02 0.02) = 0.021% HA THR 46 - HB3 ARG+ 53 2.778% * 0.0207% (0.19 1.0 1.00 0.02 0.02) = 0.021% HA THR 46 - HD3 LYS+ 63 2.778% * 0.0196% (0.18 1.0 1.00 0.02 0.02) = 0.020% HA ARG+ 53 - HB2 GLU- 10 2.778% * 0.0182% (0.17 1.0 1.00 0.02 0.02) = 0.018% HA VAL 87 - HB2 GLU- 10 2.778% * 0.0138% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA2 GLY 71 - HB2 GLU- 75 2.778% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 SER 49 - HB2 GLU- 75 2.778% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HA LYS+ 110 - HB2 GLU- 75 2.778% * 0.0062% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 SER 88 - HB2 GLU- 75 2.778% * 0.0060% (0.06 1.0 1.00 0.02 0.02) = 0.006% HA VAL 105 - HB2 GLU- 10 2.778% * 0.0057% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB THR 106 - HB2 GLU- 10 2.778% * 0.0057% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA ARG+ 53 - HB2 GLU- 75 2.778% * 0.0051% (0.05 1.0 1.00 0.02 0.02) = 0.005% HA THR 46 - HB2 GLU- 10 2.778% * 0.0045% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA VAL 87 - HB2 GLU- 75 2.778% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA VAL 105 - HB2 GLU- 75 2.778% * 0.0016% (0.01 1.0 1.00 0.02 0.02) = 0.002% HB THR 106 - HB2 GLU- 75 2.778% * 0.0016% (0.01 1.0 1.00 0.02 0.02) = 0.002% HA THR 46 - HB2 GLU- 75 2.778% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 4286 (3.28, 4.12, 58.42 ppm): 8 chemical-shift based assignments, quality = 0.467, support = 2.76, residual support = 27.7: * HD3 ARG+ 53 - HA ARG+ 53 12.500% * 40.9761% (0.52 3.33 38.76) = 40.976% kept HD2 PRO 52 - HA ARG+ 53 12.500% * 29.3974% (0.38 3.28 23.29) = 29.397% kept HE3 LYS+ 63 - HA LYS+ 63 12.500% * 22.2818% (0.53 1.77 22.47) = 22.282% kept HD3 ARG+ 22 - HA ARG+ 53 12.500% * 6.4294% (0.42 0.65 0.02) = 6.429% kept HD3 ARG+ 53 - HA LYS+ 63 12.500% * 0.2717% (0.57 0.02 0.02) = 0.272% HE3 LYS+ 63 - HA ARG+ 53 12.500% * 0.2279% (0.48 0.02 0.02) = 0.228% HD3 ARG+ 22 - HA LYS+ 63 12.500% * 0.2180% (0.46 0.02 0.02) = 0.218% HD2 PRO 52 - HA LYS+ 63 12.500% * 0.1977% (0.42 0.02 1.22) = 0.198% Peak 4287 (1.91, 1.90, 30.28 ppm): 4 diagonal assignments: HD3 LYS+ 63 - HD3 LYS+ 63 (0.91) kept * HB3 ARG+ 53 - HB3 ARG+ 53 (0.63) kept HB2 GLU- 10 - HB2 GLU- 10 (0.09) kept HB2 GLU- 75 - HB2 GLU- 75 (0.01) kept Peak 4292 (8.45, 3.28, 43.49 ppm): 14 chemical-shift based assignments, quality = 0.55, support = 3.31, residual support = 29.5: * HN ARG+ 53 - HD3 ARG+ 53 7.143% * 76.1487% (0.53 4.24 38.76) = 76.149% kept HN LEU 74 - HD3 ARG+ 53 7.143% * 11.0235% (1.00 0.32 0.02) = 11.024% kept HN CYS 123 - HD3 ARG+ 53 7.143% * 7.5048% (0.49 0.45 0.11) = 7.505% kept HN LYS+ 117 - HE3 LYS+ 63 7.143% * 2.5985% (0.12 0.64 0.73) = 2.598% kept HN LEU 74 - HE3 LYS+ 63 7.143% * 0.5961% (0.87 0.02 0.02) = 0.596% HN GLU- 107 - HD3 ARG+ 53 7.143% * 0.4144% (0.61 0.02 0.02) = 0.414% HN GLU- 107 - HE3 LYS+ 63 7.143% * 0.3624% (0.53 0.02 0.02) = 0.362% HN ARG+ 53 - HE3 LYS+ 63 7.143% * 0.3143% (0.46 0.02 0.02) = 0.314% HN CYS 123 - HE3 LYS+ 63 7.143% * 0.2908% (0.43 0.02 0.02) = 0.291% HN GLY 92 - HD3 ARG+ 53 7.143% * 0.2564% (0.37 0.02 0.02) = 0.256% HN GLY 92 - HE3 LYS+ 63 7.143% * 0.2242% (0.33 0.02 0.02) = 0.224% HN LYS+ 113 - HD3 ARG+ 53 7.143% * 0.0925% (0.14 0.02 0.02) = 0.092% HN LYS+ 117 - HD3 ARG+ 53 7.143% * 0.0925% (0.14 0.02 0.02) = 0.092% HN LYS+ 113 - HE3 LYS+ 63 7.143% * 0.0809% (0.12 0.02 1.30) = 0.081% Peak 4293 (1.85, 1.85, 31.57 ppm): 1 diagonal assignment: * HB3 ARG+ 84 - HB3 ARG+ 84 (0.06) kept Peak 4294 (4.28, 1.85, 31.57 ppm): 36 chemical-shift based assignments, quality = 0.115, support = 3.86, residual support = 67.1: * O HA ARG+ 84 - HB3 ARG+ 84 2.778% * 86.8093% (0.12 10.0 4.25 76.79) = 86.809% kept HA SER 85 - HB3 ARG+ 84 2.778% * 6.7816% (0.12 1.0 1.56 5.62) = 6.782% kept HA VAL 122 - HB3 ARG+ 84 2.778% * 5.2987% (0.12 1.0 1.16 1.53) = 5.299% kept HA LEU 90 - HB3 ARG+ 84 2.778% * 0.0900% (0.12 1.0 0.02 0.02) = 0.090% HA VAL 94 - HB3 ARG+ 84 2.778% * 0.0886% (0.12 1.0 0.02 0.02) = 0.089% HA PRO 52 - HB3 ARG+ 84 2.778% * 0.0868% (0.12 1.0 0.02 0.02) = 0.087% HB3 CYS 121 - HB3 ARG+ 84 2.778% * 0.0796% (0.11 1.0 0.02 0.02) = 0.080% HA GLU- 56 - HB3 ARG+ 84 2.778% * 0.0701% (0.09 1.0 0.02 0.02) = 0.070% HA THR 106 - HB3 ARG+ 84 2.778% * 0.0701% (0.09 1.0 0.02 0.02) = 0.070% HA CYS 121 - HB3 ARG+ 84 2.778% * 0.0666% (0.09 1.0 0.02 0.02) = 0.067% HA GLU- 64 - HB3 ARG+ 84 2.778% * 0.0557% (0.07 1.0 0.02 0.02) = 0.056% HA GLU- 75 - HB3 ARG+ 84 2.778% * 0.0520% (0.07 1.0 0.02 0.02) = 0.052% HA ASP- 36 - HB3 ARG+ 84 2.778% * 0.0447% (0.06 1.0 0.02 0.02) = 0.045% HA VAL 122 - HB3 GLN 16 2.778% * 0.0255% (0.03 1.0 0.02 0.02) = 0.026% HA GLU- 107 - HB3 ARG+ 84 2.778% * 0.0255% (0.03 1.0 0.02 0.02) = 0.026% HA ASN 119 - HB3 ARG+ 84 2.778% * 0.0255% (0.03 1.0 0.02 0.02) = 0.026% HA LEU 90 - HB3 GLN 16 2.778% * 0.0251% (0.03 1.0 0.02 0.02) = 0.025% HA VAL 94 - HB3 GLN 16 2.778% * 0.0247% (0.03 1.0 0.02 0.02) = 0.025% HA SER 85 - HB3 GLN 16 2.778% * 0.0242% (0.03 1.0 0.02 0.15) = 0.024% HA ARG+ 84 - HB3 GLN 16 2.778% * 0.0242% (0.03 1.0 0.02 0.02) = 0.024% HA PRO 52 - HB3 GLN 16 2.778% * 0.0242% (0.03 1.0 0.02 0.12) = 0.024% HA ASN 76 - HB3 ARG+ 84 2.778% * 0.0229% (0.03 1.0 0.02 0.02) = 0.023% HB3 CYS 121 - HB3 GLN 16 2.778% * 0.0222% (0.03 1.0 0.02 0.02) = 0.022% HA GLU- 56 - HB3 GLN 16 2.778% * 0.0195% (0.03 1.0 0.02 0.02) = 0.020% HA THR 106 - HB3 GLN 16 2.778% * 0.0195% (0.03 1.0 0.02 0.23) = 0.020% HA CYS 121 - HB3 GLN 16 2.778% * 0.0186% (0.02 1.0 0.02 0.02) = 0.019% HA ALA 11 - HB3 ARG+ 84 2.778% * 0.0182% (0.02 1.0 0.02 0.02) = 0.018% HA GLU- 64 - HB3 GLN 16 2.778% * 0.0155% (0.02 1.0 0.02 0.02) = 0.016% HA GLU- 75 - HB3 GLN 16 2.778% * 0.0145% (0.02 1.0 0.02 0.02) = 0.014% HB3 SER 49 - HB3 ARG+ 84 2.778% * 0.0144% (0.02 1.0 0.02 0.02) = 0.014% HA ASP- 36 - HB3 GLN 16 2.778% * 0.0125% (0.02 1.0 0.02 0.02) = 0.012% HA GLU- 107 - HB3 GLN 16 2.778% * 0.0071% (0.01 1.0 0.02 0.30) = 0.007% HA ASN 119 - HB3 GLN 16 2.778% * 0.0071% (0.01 1.0 0.02 1.68) = 0.007% HA ASN 76 - HB3 GLN 16 2.778% * 0.0064% (0.01 1.0 0.02 0.02) = 0.006% HA ALA 11 - HB3 GLN 16 2.778% * 0.0051% (0.01 1.0 0.02 0.02) = 0.005% HB3 SER 49 - HB3 GLN 16 2.778% * 0.0040% (0.01 1.0 0.02 0.13) = 0.004% Peak 4295 (3.17, 1.85, 31.57 ppm): 6 chemical-shift based assignments, quality = 0.0978, support = 4.82, residual support = 76.6: * O HD3 ARG+ 84 - HB3 ARG+ 84 16.667% * 99.7545% (0.10 10.0 4.83 76.79) = 99.755% kept HB3 PHE 34 - HB3 ARG+ 84 16.667% * 0.1235% (0.12 1.0 0.02 5.06) = 0.123% HB3 HIS+ 98 - HB3 ARG+ 84 16.667% * 0.0468% (0.05 1.0 0.02 0.02) = 0.047% HB3 PHE 34 - HB3 GLN 16 16.667% * 0.0344% (0.03 1.0 0.02 0.02) = 0.034% HD3 ARG+ 84 - HB3 GLN 16 16.667% * 0.0278% (0.03 1.0 0.02 0.02) = 0.028% HB3 HIS+ 98 - HB3 GLN 16 16.667% * 0.0130% (0.01 1.0 0.02 0.02) = 0.013% Peak 4296 (1.65, 1.66, 27.58 ppm): 2 diagonal assignments: * HG3 ARG+ 84 - HG3 ARG+ 84 (0.97) kept HG12 ILE 101 - HG12 ILE 101 (0.04) kept Peak 4297 (7.33, 3.16, 43.82 ppm): 6 chemical-shift based assignments, quality = 0.671, support = 3.63, residual support = 31.3: * HN ARG+ 84 - HD3 ARG+ 84 16.667% * 36.9938% (0.57 6.02 76.79) = 36.994% kept QE PHE 34 - HD3 ARG+ 84 16.667% * 21.1343% (0.77 2.55 5.06) = 21.134% kept HZ PHE 34 - HD3 ARG+ 84 16.667% * 20.3546% (0.77 2.45 5.06) = 20.355% kept QD PHE 34 - HD3 ARG+ 84 16.667% * 15.3870% (0.65 2.18 5.06) = 15.387% kept HZ2 TRP 51 - HD3 ARG+ 84 16.667% * 4.2913% (0.77 0.52 1.28) = 4.291% kept HN VAL 47 - HD3 ARG+ 84 16.667% * 1.8390% (0.60 0.28 0.02) = 1.839% kept Peak 4298 (4.28, 3.16, 43.82 ppm): 18 chemical-shift based assignments, quality = 0.728, support = 3.13, residual support = 45.5: * HA ARG+ 84 - HD3 ARG+ 84 5.556% * 57.3031% (0.74 4.38 76.79) = 57.303% kept HA SER 85 - HD3 ARG+ 84 5.556% * 22.3887% (0.74 1.71 5.62) = 22.389% kept HA VAL 122 - HD3 ARG+ 84 5.556% * 17.8661% (0.78 1.30 1.53) = 17.866% kept HA LEU 90 - HD3 ARG+ 84 5.556% * 0.2710% (0.77 0.02 0.02) = 0.271% HA VAL 94 - HD3 ARG+ 84 5.556% * 0.2668% (0.75 0.02 0.02) = 0.267% HA PRO 52 - HD3 ARG+ 84 5.556% * 0.2615% (0.74 0.02 0.02) = 0.262% HB3 CYS 121 - HD3 ARG+ 84 5.556% * 0.2398% (0.68 0.02 0.02) = 0.240% HA GLU- 56 - HD3 ARG+ 84 5.556% * 0.2113% (0.60 0.02 0.02) = 0.211% HA THR 106 - HD3 ARG+ 84 5.556% * 0.2113% (0.60 0.02 0.02) = 0.211% HA CYS 121 - HD3 ARG+ 84 5.556% * 0.2008% (0.57 0.02 0.02) = 0.201% HA GLU- 64 - HD3 ARG+ 84 5.556% * 0.1677% (0.47 0.02 0.02) = 0.168% HA GLU- 75 - HD3 ARG+ 84 5.556% * 0.1565% (0.44 0.02 0.02) = 0.157% HA ASP- 36 - HD3 ARG+ 84 5.556% * 0.1346% (0.38 0.02 0.02) = 0.135% HA ASN 119 - HD3 ARG+ 84 5.556% * 0.0769% (0.22 0.02 0.02) = 0.077% HA GLU- 107 - HD3 ARG+ 84 5.556% * 0.0769% (0.22 0.02 0.02) = 0.077% HA ASN 76 - HD3 ARG+ 84 5.556% * 0.0689% (0.19 0.02 0.02) = 0.069% HA ALA 11 - HD3 ARG+ 84 5.556% * 0.0547% (0.15 0.02 0.02) = 0.055% HB3 SER 49 - HD3 ARG+ 84 5.556% * 0.0433% (0.12 0.02 0.02) = 0.043% Peak 4299 (3.70, 1.66, 27.58 ppm): 9 chemical-shift based assignments, quality = 0.94, support = 2.49, residual support = 5.61: * T HA LYS+ 81 - HG3 ARG+ 84 11.111% * 47.7559% (0.97 10.00 2.60 7.16) = 47.756% kept T HB3 SER 69 - HG3 ARG+ 84 11.111% * 47.0187% (0.96 10.00 2.30 3.36) = 47.019% kept HB2 TRP 51 - HG2 PRO 52 11.111% * 3.0479% (0.26 1.00 4.85 19.28) = 3.048% kept HB2 TRP 51 - HG3 ARG+ 84 11.111% * 1.8803% (0.94 1.00 0.82 1.28) = 1.880% kept T HA LYS+ 81 - HG2 PRO 52 11.111% * 0.1303% (0.27 10.00 0.02 0.02) = 0.130% T HB3 SER 69 - HG2 PRO 52 11.111% * 0.1282% (0.26 10.00 0.02 0.02) = 0.128% HA LYS+ 81 - HG12 ILE 101 11.111% * 0.0131% (0.27 1.00 0.02 0.02) = 0.013% HB3 SER 69 - HG12 ILE 101 11.111% * 0.0129% (0.26 1.00 0.02 0.02) = 0.013% HB2 TRP 51 - HG12 ILE 101 11.111% * 0.0126% (0.26 1.00 0.02 7.19) = 0.013% Peak 4300 (3.70, 1.85, 31.57 ppm): 6 chemical-shift based assignments, quality = 0.118, support = 1.96, residual support = 4.58: HA LYS+ 81 - HB3 ARG+ 84 16.667% * 44.5526% (0.12 2.43 7.16) = 44.553% kept HB3 SER 69 - HB3 ARG+ 84 16.667% * 33.0067% (0.12 1.83 3.36) = 33.007% kept HB2 TRP 51 - HB3 ARG+ 84 16.667% * 22.1390% (0.12 1.25 1.28) = 22.139% kept HA LYS+ 81 - HB3 GLN 16 16.667% * 0.1022% (0.03 0.02 0.02) = 0.102% HB3 SER 69 - HB3 GLN 16 16.667% * 0.1007% (0.03 0.02 0.02) = 0.101% HB2 TRP 51 - HB3 GLN 16 16.667% * 0.0987% (0.03 0.02 0.30) = 0.099% Peak 4301 (7.33, 1.77, 27.63 ppm): 12 chemical-shift based assignments, quality = 0.799, support = 3.17, residual support = 29.2: * HN ARG+ 84 - HG2 ARG+ 84 8.333% * 34.0518% (0.67 5.15 76.79) = 34.052% kept QE PHE 34 - HG2 ARG+ 84 8.333% * 25.1871% (0.91 2.82 5.06) = 25.187% kept HZ PHE 34 - HG2 ARG+ 84 8.333% * 18.4792% (0.91 2.07 5.06) = 18.479% kept QD PHE 34 - HG2 ARG+ 84 8.333% * 14.1927% (0.77 1.86 5.06) = 14.193% kept HZ2 TRP 51 - HG2 ARG+ 84 8.333% * 7.1032% (0.91 0.80 1.28) = 7.103% kept HN VAL 47 - HG2 ARG+ 84 8.333% * 0.6291% (0.71 0.09 0.02) = 0.629% HZ2 TRP 51 - HG3 ARG+ 53 8.333% * 0.0664% (0.34 0.02 0.02) = 0.066% QE PHE 34 - HG3 ARG+ 53 8.333% * 0.0664% (0.34 0.02 0.02) = 0.066% HZ PHE 34 - HG3 ARG+ 53 8.333% * 0.0664% (0.34 0.02 0.02) = 0.066% QD PHE 34 - HG3 ARG+ 53 8.333% * 0.0566% (0.29 0.02 0.02) = 0.057% HN VAL 47 - HG3 ARG+ 53 8.333% * 0.0518% (0.26 0.02 0.02) = 0.052% HN ARG+ 84 - HG3 ARG+ 53 8.333% * 0.0492% (0.25 0.02 0.02) = 0.049% Peak 4302 (1.77, 1.77, 27.63 ppm): 2 diagonal assignments: * HG2 ARG+ 84 - HG2 ARG+ 84 (0.93) kept HG3 ARG+ 53 - HG3 ARG+ 53 (0.32) kept Peak 4303 (3.71, 1.77, 27.63 ppm): 8 chemical-shift based assignments, quality = 0.676, support = 1.33, residual support = 4.01: * HA LYS+ 81 - HG2 ARG+ 84 12.500% * 34.9803% (0.64 1.56 7.16) = 34.980% kept HB3 SER 69 - HG2 ARG+ 84 12.500% * 34.1310% (0.85 1.14 3.36) = 34.131% kept HB2 TRP 51 - HG2 ARG+ 84 12.500% * 27.8354% (0.56 1.41 1.28) = 27.835% kept HB3 SER 69 - HG3 ARG+ 53 12.500% * 1.8341% (0.32 0.16 0.02) = 1.834% kept HB2 TRP 51 - HG3 ARG+ 53 12.500% * 0.8044% (0.21 0.11 0.02) = 0.804% HA LEU 43 - HG2 ARG+ 84 12.500% * 0.1811% (0.26 0.02 0.02) = 0.181% HA LYS+ 81 - HG3 ARG+ 53 12.500% * 0.1663% (0.24 0.02 0.02) = 0.166% HA LEU 43 - HG3 ARG+ 53 12.500% * 0.0673% (0.10 0.02 0.02) = 0.067% Peak 4304 (4.30, 1.77, 27.63 ppm): 16 chemical-shift based assignments, quality = 0.359, support = 0.356, residual support = 0.435: HA VAL 122 - HG2 ARG+ 84 6.250% * 25.6588% (0.23 0.61 1.53) = 25.659% kept HA CYS 121 - HG2 ARG+ 84 6.250% * 18.7506% (0.60 0.17 0.02) = 18.751% kept HB3 CYS 121 - HG2 ARG+ 84 6.250% * 14.1085% (0.45 0.17 0.02) = 14.109% kept HA LEU 90 - HG3 ARG+ 53 6.250% * 13.4479% (0.11 0.70 0.23) = 13.448% kept HA VAL 122 - HG3 ARG+ 53 6.250% * 8.1529% (0.09 0.52 0.02) = 8.153% kept HA CYS 121 - HG3 ARG+ 53 6.250% * 3.3810% (0.22 0.08 0.02) = 3.381% kept HA ILE 29 - HG2 ARG+ 84 6.250% * 3.1804% (0.88 0.02 0.02) = 3.180% kept HA ASP- 36 - HG2 ARG+ 84 6.250% * 2.9164% (0.80 0.02 0.02) = 2.916% kept HA ALA 93 - HG2 ARG+ 84 6.250% * 2.6922% (0.74 0.02 0.02) = 2.692% kept HA THR 106 - HG2 ARG+ 84 6.250% * 2.0392% (0.56 0.02 0.02) = 2.039% kept HA ILE 29 - HG3 ARG+ 53 6.250% * 1.1824% (0.33 0.02 0.02) = 1.182% kept HA ASP- 36 - HG3 ARG+ 53 6.250% * 1.0843% (0.30 0.02 0.02) = 1.084% kept HA LEU 90 - HG2 ARG+ 84 6.250% * 1.0377% (0.29 0.02 0.02) = 1.038% kept HA ALA 93 - HG3 ARG+ 53 6.250% * 1.0009% (0.28 0.02 0.02) = 1.001% kept HA THR 106 - HG3 ARG+ 53 6.250% * 0.7582% (0.21 0.02 0.02) = 0.758% HB3 CYS 121 - HG3 ARG+ 53 6.250% * 0.6084% (0.17 0.02 0.02) = 0.608% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 4305 (3.71, 1.77, 31.53 ppm): 4 chemical-shift based assignments, quality = 0.188, support = 0.02, residual support = 0.02: HB3 SER 69 - HB3 GLU- 18 25.000% * 36.5717% (0.23 0.02 0.02) = 36.572% kept HA LYS+ 81 - HB3 GLU- 18 25.000% * 28.9608% (0.19 0.02 0.02) = 28.961% kept HB2 TRP 51 - HB3 GLU- 18 25.000% * 26.0307% (0.17 0.02 0.02) = 26.031% kept HA LEU 43 - HB3 GLU- 18 25.000% * 8.4368% (0.05 0.02 0.02) = 8.437% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 4306 (1.78, 1.77, 31.53 ppm): 1 diagonal assignment: HB3 GLU- 18 - HB3 GLU- 18 (0.24) kept Reference assignment not found: HB2 ARG+ 84 - HB2 ARG+ 84 Peak 4307 (3.18, 3.69, 59.64 ppm): 2 chemical-shift based assignments, quality = 0.939, support = 1.44, residual support = 7.15: * T HD3 ARG+ 84 - HA LYS+ 81 50.000% * 99.8795% (0.94 10.00 1.44 7.16) = 99.879% kept HB3 PHE 34 - HA LYS+ 81 50.000% * 0.1205% (0.82 1.00 0.02 0.02) = 0.121% Peak 4309 (0.82, 3.17, 43.84 ppm): 9 chemical-shift based assignments, quality = 0.802, support = 1.03, residual support = 1.64: * T QD2 LEU 17 - HD3 ARG+ 84 11.111% * 91.6126% (0.83 10.00 1.03 1.73) = 91.613% kept QD2 LEU 67 - HD3 ARG+ 84 11.111% * 7.0715% (0.58 1.00 1.14 0.78) = 7.071% kept QD1 ILE 29 - HD3 ARG+ 84 11.111% * 0.6327% (0.68 1.00 0.09 0.02) = 0.633% QG1 VAL 94 - HD3 ARG+ 84 11.111% * 0.1773% (0.83 1.00 0.02 0.02) = 0.177% QD2 LEU 90 - HD3 ARG+ 84 11.111% * 0.1670% (0.78 1.00 0.02 0.02) = 0.167% QG1 VAL 13 - HD3 ARG+ 84 11.111% * 0.1449% (0.68 1.00 0.02 0.02) = 0.145% HG2 LYS+ 117 - HD3 ARG+ 84 11.111% * 0.1024% (0.48 1.00 0.02 0.02) = 0.102% QG2 VAL 13 - HD3 ARG+ 84 11.111% * 0.0558% (0.26 1.00 0.02 0.02) = 0.056% QD1 ILE 100 - HD3 ARG+ 84 11.111% * 0.0358% (0.17 1.00 0.02 0.02) = 0.036% Peak 4310 (0.94, 3.69, 59.64 ppm): 10 chemical-shift based assignments, quality = 0.726, support = 1.13, residual support = 2.52: QG2 VAL 80 - HA LYS+ 81 10.000% * 21.3447% (0.32 2.57 9.98) = 21.345% kept QG2 VAL 73 - HA LYS+ 81 10.000% * 20.1211% (0.91 0.86 1.30) = 20.121% kept QG1 VAL 105 - HA LYS+ 81 10.000% * 18.6382% (0.82 0.88 0.31) = 18.638% kept QG2 VAL 105 - HA LYS+ 81 10.000% * 17.3698% (0.75 0.89 0.31) = 17.370% kept QG2 VAL 62 - HA LYS+ 81 10.000% * 12.7529% (0.94 0.53 0.12) = 12.753% kept QD1 LEU 17 - HA LYS+ 81 10.000% * 7.1494% (0.79 0.35 0.02) = 7.149% kept QG2 ILE 29 - HA LYS+ 81 10.000% * 1.8548% (0.89 0.08 0.02) = 1.855% kept QG2 VAL 99 - HA LYS+ 81 10.000% * 0.2950% (0.57 0.02 0.36) = 0.295% HG12 ILE 68 - HA LYS+ 81 10.000% * 0.2559% (0.49 0.02 0.02) = 0.256% HG3 LYS+ 110 - HA LYS+ 81 10.000% * 0.2181% (0.42 0.02 0.02) = 0.218% Peak 4311 (3.98, 0.93, 24.69 ppm): 6 chemical-shift based assignments, quality = 0.0995, support = 0.667, residual support = 0.814: T HB THR 95 - QD1 LEU 17 16.667% * 61.2572% (0.09 10.00 0.61 1.09) = 61.257% kept T HB THR 95 - QG2 VAL 40 16.667% * 14.7501% (0.11 10.00 0.11 0.02) = 14.750% kept HA THR 38 - QG2 VAL 40 16.667% * 13.8262% (0.07 1.00 1.75 0.90) = 13.826% kept HA1 GLY 92 - QD1 LEU 17 16.667% * 9.4325% (0.21 1.00 0.40 0.17) = 9.432% kept HA1 GLY 92 - QG2 VAL 40 16.667% * 0.6114% (0.27 1.00 0.02 0.02) = 0.611% HA THR 38 - QD1 LEU 17 16.667% * 0.1226% (0.05 1.00 0.02 0.02) = 0.123% Not enough quality. Peak unassigned. Peak 4312 (4.30, 0.93, 24.69 ppm): 24 chemical-shift based assignments, quality = 0.148, support = 0.748, residual support = 6.44: HA ILE 29 - QD1 LEU 17 4.167% * 37.5258% (0.17 1.37 17.08) = 37.526% kept HA ASP- 36 - QD1 LEU 17 4.167% * 16.5266% (0.21 0.49 0.02) = 16.527% kept HA CYS 121 - QD1 LEU 17 4.167% * 10.6085% (0.18 0.37 0.02) = 10.609% kept HB3 CYS 121 - QD1 LEU 17 4.167% * 8.4632% (0.15 0.36 0.02) = 8.463% kept HA ALA 93 - QD1 LEU 17 4.167% * 6.7541% (0.13 0.32 0.23) = 6.754% kept HA ARG+ 84 - QG2 VAL 40 4.167% * 6.6438% (0.06 0.67 0.02) = 6.644% kept HA PRO 52 - QG2 VAL 40 4.167% * 3.7857% (0.06 0.38 0.02) = 3.786% kept HA LEU 90 - QD1 LEU 17 4.167% * 1.7774% (0.10 0.11 0.17) = 1.777% kept HA VAL 94 - QG2 VAL 40 4.167% * 1.2947% (0.07 0.12 0.02) = 1.295% kept HA ASP- 36 - QG2 VAL 40 4.167% * 0.8671% (0.27 0.02 0.02) = 0.867% HA CYS 121 - QG2 VAL 40 4.167% * 0.7389% (0.23 0.02 0.02) = 0.739% HA ILE 29 - QG2 VAL 40 4.167% * 0.7084% (0.22 0.02 0.02) = 0.708% HA THR 106 - QG2 VAL 40 4.167% * 0.7084% (0.22 0.02 0.02) = 0.708% HB3 CYS 121 - QG2 VAL 40 4.167% * 0.6077% (0.19 0.02 0.02) = 0.608% HA THR 106 - QD1 LEU 17 4.167% * 0.5498% (0.17 0.02 0.02) = 0.550% HA ALA 93 - QG2 VAL 40 4.167% * 0.5366% (0.17 0.02 0.02) = 0.537% HA LEU 90 - QG2 VAL 40 4.167% * 0.4306% (0.13 0.02 0.02) = 0.431% HA VAL 122 - QG2 VAL 40 4.167% * 0.3637% (0.11 0.02 0.02) = 0.364% HA VAL 122 - QD1 LEU 17 4.167% * 0.2823% (0.09 0.02 0.02) = 0.282% HA SER 85 - QG2 VAL 40 4.167% * 0.1970% (0.06 0.02 0.02) = 0.197% HA VAL 94 - QD1 LEU 17 4.167% * 0.1712% (0.05 0.02 7.18) = 0.171% HA PRO 52 - QD1 LEU 17 4.167% * 0.1529% (0.05 0.02 2.64) = 0.153% HA SER 85 - QD1 LEU 17 4.167% * 0.1529% (0.05 0.02 0.02) = 0.153% * HA ARG+ 84 - QD1 LEU 17 4.167% * 0.1529% (0.05 0.02 1.73) = 0.153% Reference assignment eliminated. Peak 4313 (0.94, 4.28, 56.51 ppm): 60 chemical-shift based assignments, quality = 0.296, support = 0.455, residual support = 0.919: QD1 LEU 17 - HA ARG+ 84 1.667% * 40.6533% (0.38 0.87 1.73) = 40.653% kept QG2 ILE 29 - HA ASN 119 1.667% * 13.6153% (0.45 0.25 1.17) = 13.615% kept HG12 ILE 68 - HA ARG+ 84 1.667% * 13.0110% (0.24 0.44 0.39) = 13.011% kept QG2 VAL 105 - HA GLU- 107 1.667% * 2.2947% (0.14 0.14 0.11) = 2.295% kept QG1 VAL 105 - HA GLU- 107 1.667% * 2.2933% (0.15 0.13 0.11) = 2.293% kept HG3 LYS+ 110 - HA ARG+ 84 1.667% * 1.9156% (0.21 0.08 0.02) = 1.916% kept QD1 LEU 17 - HA GLU- 107 1.667% * 1.6583% (0.14 0.10 0.02) = 1.658% kept QG2 VAL 62 - HA ASN 119 1.667% * 1.1626% (0.48 0.02 0.02) = 1.163% kept QG2 VAL 73 - HA ASN 119 1.667% * 1.1245% (0.46 0.02 0.02) = 1.125% kept QG2 VAL 62 - HA ARG+ 84 1.667% * 1.1189% (0.46 0.02 0.02) = 1.119% kept QG2 VAL 73 - HA ARG+ 84 1.667% * 1.0822% (0.44 0.02 0.02) = 1.082% kept QG2 ILE 29 - HA ARG+ 84 1.667% * 1.0608% (0.44 0.02 0.02) = 1.061% kept QG2 VAL 62 - HA ASN 76 1.667% * 1.0142% (0.42 0.02 0.02) = 1.014% kept QG1 VAL 105 - HA ASN 119 1.667% * 1.0107% (0.42 0.02 0.02) = 1.011% kept QG2 VAL 73 - HA ASN 76 1.667% * 0.9809% (0.40 0.02 0.02) = 0.981% QD1 LEU 17 - HA ASN 119 1.667% * 0.9733% (0.40 0.02 0.02) = 0.973% QG1 VAL 105 - HA ARG+ 84 1.667% * 0.9727% (0.40 0.02 0.02) = 0.973% QG2 ILE 29 - HA ASN 76 1.667% * 0.9615% (0.39 0.02 0.02) = 0.962% QG2 VAL 105 - HA ASN 119 1.667% * 0.9330% (0.38 0.02 0.02) = 0.933% QG2 VAL 105 - HA ARG+ 84 1.667% * 0.8979% (0.37 0.02 0.02) = 0.898% QG1 VAL 105 - HA ASN 76 1.667% * 0.8817% (0.36 0.02 0.02) = 0.882% QD1 LEU 17 - HA ASN 76 1.667% * 0.8490% (0.35 0.02 0.02) = 0.849% QG2 VAL 105 - HA ASN 76 1.667% * 0.8139% (0.33 0.02 0.02) = 0.814% QG2 VAL 99 - HA ASN 119 1.667% * 0.7067% (0.29 0.02 0.02) = 0.707% QG2 VAL 99 - HA ARG+ 84 1.667% * 0.6801% (0.28 0.02 0.02) = 0.680% QG2 VAL 99 - HA ASN 76 1.667% * 0.6165% (0.25 0.02 0.02) = 0.617% HG12 ILE 68 - HA ASN 119 1.667% * 0.6130% (0.25 0.02 0.54) = 0.613% HG12 ILE 68 - HA ASN 76 1.667% * 0.5348% (0.22 0.02 0.02) = 0.535% HG3 LYS+ 110 - HA ASN 119 1.667% * 0.5224% (0.21 0.02 0.02) = 0.522% HG3 LYS+ 110 - HA ASN 76 1.667% * 0.4557% (0.19 0.02 0.02) = 0.456% QG2 VAL 62 - HA GLU- 107 1.667% * 0.4164% (0.17 0.02 0.02) = 0.416% QG2 VAL 73 - HA GLU- 107 1.667% * 0.4027% (0.17 0.02 0.11) = 0.403% QG2 VAL 80 - HA ASN 119 1.667% * 0.3975% (0.16 0.02 0.02) = 0.397% QG2 ILE 29 - HA GLU- 107 1.667% * 0.3947% (0.16 0.02 0.02) = 0.395% QG2 VAL 80 - HA ARG+ 84 1.667% * 0.3825% (0.16 0.02 0.02) = 0.383% QG2 VAL 80 - HA ASN 76 1.667% * 0.3467% (0.14 0.02 0.02) = 0.347% QG2 VAL 99 - HA GLU- 107 1.667% * 0.2531% (0.10 0.02 0.02) = 0.253% HG12 ILE 68 - HA GLU- 107 1.667% * 0.2195% (0.09 0.02 0.02) = 0.220% HG3 LYS+ 110 - HA GLU- 107 1.667% * 0.1871% (0.08 0.02 0.02) = 0.187% QG2 VAL 80 - HA GLU- 107 1.667% * 0.1423% (0.06 0.02 0.02) = 0.142% QG2 VAL 62 - HA GLU- 10 1.667% * 0.1005% (0.04 0.02 0.02) = 0.100% QG2 VAL 73 - HA GLU- 10 1.667% * 0.0972% (0.04 0.02 0.02) = 0.097% QG2 VAL 62 - HA LYS+ 108 1.667% * 0.0966% (0.04 0.02 0.02) = 0.097% QG2 ILE 29 - HA GLU- 10 1.667% * 0.0952% (0.04 0.02 0.02) = 0.095% QG2 VAL 73 - HA LYS+ 108 1.667% * 0.0935% (0.04 0.02 0.02) = 0.093% QG2 ILE 29 - HA LYS+ 108 1.667% * 0.0916% (0.04 0.02 0.02) = 0.092% QG1 VAL 105 - HA GLU- 10 1.667% * 0.0873% (0.04 0.02 0.02) = 0.087% QD1 LEU 17 - HA GLU- 10 1.667% * 0.0841% (0.03 0.02 0.02) = 0.084% QG1 VAL 105 - HA LYS+ 108 1.667% * 0.0840% (0.03 0.02 0.02) = 0.084% QD1 LEU 17 - HA LYS+ 108 1.667% * 0.0809% (0.03 0.02 0.02) = 0.081% QG2 VAL 105 - HA GLU- 10 1.667% * 0.0806% (0.03 0.02 0.02) = 0.081% QG2 VAL 105 - HA LYS+ 108 1.667% * 0.0776% (0.03 0.02 0.02) = 0.078% QG2 VAL 99 - HA GLU- 10 1.667% * 0.0611% (0.03 0.02 0.02) = 0.061% QG2 VAL 99 - HA LYS+ 108 1.667% * 0.0587% (0.02 0.02 0.02) = 0.059% HG12 ILE 68 - HA GLU- 10 1.667% * 0.0530% (0.02 0.02 0.02) = 0.053% HG12 ILE 68 - HA LYS+ 108 1.667% * 0.0510% (0.02 0.02 0.02) = 0.051% HG3 LYS+ 110 - HA GLU- 10 1.667% * 0.0451% (0.02 0.02 0.02) = 0.045% HG3 LYS+ 110 - HA LYS+ 108 1.667% * 0.0434% (0.02 0.02 0.39) = 0.043% QG2 VAL 80 - HA GLU- 10 1.667% * 0.0343% (0.01 0.02 0.02) = 0.034% QG2 VAL 80 - HA LYS+ 108 1.667% * 0.0330% (0.01 0.02 0.02) = 0.033% Peak 4314 (0.82, 4.28, 56.51 ppm): 54 chemical-shift based assignments, quality = 0.412, support = 0.752, residual support = 1.36: T QD2 LEU 17 - HA ARG+ 84 1.852% * 72.5384% (0.45 10.00 0.90 1.73) = 72.538% kept QD1 ILE 29 - HA ASN 119 1.852% * 4.9612% (0.38 1.00 0.72 1.17) = 4.961% kept QD2 LEU 67 - HA ARG+ 84 1.852% * 3.9540% (0.32 1.00 0.70 0.78) = 3.954% kept QG1 VAL 13 - HA ASN 119 1.852% * 3.7172% (0.38 1.00 0.54 0.32) = 3.717% kept T QG1 VAL 94 - HA GLU- 107 1.852% * 2.4662% (0.17 10.00 0.08 0.02) = 2.466% kept T QG1 VAL 94 - HA ASN 119 1.852% * 1.6755% (0.47 10.00 0.02 0.02) = 1.675% kept T QG1 VAL 94 - HA ARG+ 84 1.852% * 1.6124% (0.45 10.00 0.02 0.02) = 1.612% kept QD2 LEU 67 - HA ASN 119 1.852% * 1.5421% (0.33 1.00 0.26 0.02) = 1.542% kept T QD2 LEU 90 - HA ARG+ 84 1.852% * 1.5185% (0.43 10.00 0.02 0.02) = 1.519% kept T QG1 VAL 94 - HA ASN 76 1.852% * 1.4616% (0.41 10.00 0.02 0.02) = 1.462% kept QG2 VAL 13 - HA ASN 119 1.852% * 1.4455% (0.15 1.00 0.55 0.32) = 1.446% kept QD1 ILE 29 - HA ARG+ 84 1.852% * 0.5752% (0.37 1.00 0.09 0.02) = 0.575% QG2 VAL 13 - HA ASN 76 1.852% * 0.2485% (0.13 1.00 0.11 0.02) = 0.249% QD2 LEU 67 - HA GLU- 107 1.852% * 0.1975% (0.12 1.00 0.09 0.02) = 0.197% QD2 LEU 17 - HA ASN 119 1.852% * 0.1675% (0.47 1.00 0.02 0.02) = 0.168% QD2 LEU 90 - HA ASN 119 1.852% * 0.1578% (0.44 1.00 0.02 0.02) = 0.158% QD2 LEU 17 - HA ASN 76 1.852% * 0.1462% (0.41 1.00 0.02 0.02) = 0.146% QD2 LEU 90 - HA ASN 76 1.852% * 0.1376% (0.39 1.00 0.02 0.02) = 0.138% QD1 ILE 100 - HA GLU- 107 1.852% * 0.1342% (0.03 1.00 0.22 0.02) = 0.134% QG1 VAL 13 - HA ARG+ 84 1.852% * 0.1317% (0.37 1.00 0.02 0.02) = 0.132% QG1 VAL 13 - HA ASN 76 1.852% * 0.1194% (0.33 1.00 0.02 0.02) = 0.119% QD1 ILE 29 - HA ASN 76 1.852% * 0.1194% (0.33 1.00 0.02 0.02) = 0.119% QD2 LEU 67 - HA ASN 76 1.852% * 0.1024% (0.29 1.00 0.02 0.02) = 0.102% HG2 LYS+ 117 - HA ASN 119 1.852% * 0.0968% (0.27 1.00 0.02 0.02) = 0.097% HG2 LYS+ 117 - HA ARG+ 84 1.852% * 0.0931% (0.26 1.00 0.02 0.02) = 0.093% HG2 LYS+ 117 - HA ASN 76 1.852% * 0.0844% (0.24 1.00 0.02 0.02) = 0.084% QD2 LEU 17 - HA GLU- 107 1.852% * 0.0600% (0.17 1.00 0.02 0.02) = 0.060% QD2 LEU 90 - HA GLU- 107 1.852% * 0.0565% (0.16 1.00 0.02 0.02) = 0.057% QG2 VAL 13 - HA ARG+ 84 1.852% * 0.0508% (0.14 1.00 0.02 0.02) = 0.051% QG1 VAL 13 - HA GLU- 107 1.852% * 0.0490% (0.14 1.00 0.02 0.02) = 0.049% QD1 ILE 29 - HA GLU- 107 1.852% * 0.0490% (0.14 1.00 0.02 0.02) = 0.049% HG2 LYS+ 117 - HA GLU- 107 1.852% * 0.0347% (0.10 1.00 0.02 0.02) = 0.035% QD1 ILE 100 - HA ASN 119 1.852% * 0.0338% (0.09 1.00 0.02 0.02) = 0.034% QD1 ILE 100 - HA ARG+ 84 1.852% * 0.0326% (0.09 1.00 0.02 0.02) = 0.033% QD1 ILE 100 - HA ASN 76 1.852% * 0.0295% (0.08 1.00 0.02 0.02) = 0.030% QG2 VAL 13 - HA GLU- 107 1.852% * 0.0189% (0.05 1.00 0.02 0.02) = 0.019% QD2 LEU 17 - HA GLU- 10 1.852% * 0.0145% (0.04 1.00 0.02 0.02) = 0.014% QG1 VAL 94 - HA GLU- 10 1.852% * 0.0145% (0.04 1.00 0.02 0.02) = 0.014% QG1 VAL 94 - HA LYS+ 108 1.852% * 0.0139% (0.04 1.00 0.02 0.02) = 0.014% QD2 LEU 17 - HA LYS+ 108 1.852% * 0.0139% (0.04 1.00 0.02 0.02) = 0.014% QD2 LEU 90 - HA GLU- 10 1.852% * 0.0136% (0.04 1.00 0.02 0.02) = 0.014% QD2 LEU 90 - HA LYS+ 108 1.852% * 0.0131% (0.04 1.00 0.02 0.02) = 0.013% QG1 VAL 13 - HA GLU- 10 1.852% * 0.0118% (0.03 1.00 0.02 0.02) = 0.012% QD1 ILE 29 - HA GLU- 10 1.852% * 0.0118% (0.03 1.00 0.02 0.02) = 0.012% QG1 VAL 13 - HA LYS+ 108 1.852% * 0.0114% (0.03 1.00 0.02 0.02) = 0.011% QD1 ILE 29 - HA LYS+ 108 1.852% * 0.0114% (0.03 1.00 0.02 0.02) = 0.011% QD2 LEU 67 - HA GLU- 10 1.852% * 0.0101% (0.03 1.00 0.02 0.02) = 0.010% QD2 LEU 67 - HA LYS+ 108 1.852% * 0.0098% (0.03 1.00 0.02 0.02) = 0.010% HG2 LYS+ 117 - HA GLU- 10 1.852% * 0.0084% (0.02 1.00 0.02 0.02) = 0.008% HG2 LYS+ 117 - HA LYS+ 108 1.852% * 0.0080% (0.02 1.00 0.02 0.02) = 0.008% QG2 VAL 13 - HA GLU- 10 1.852% * 0.0046% (0.01 1.00 0.02 0.02) = 0.005% QG2 VAL 13 - HA LYS+ 108 1.852% * 0.0044% (0.01 1.00 0.02 0.02) = 0.004% QD1 ILE 100 - HA GLU- 10 1.852% * 0.0029% (0.01 1.00 0.02 0.02) = 0.003% QD1 ILE 100 - HA LYS+ 108 1.852% * 0.0028% (0.01 1.00 0.02 0.02) = 0.003% Peak 4315 (4.21, 4.22, 56.75 ppm): 3 diagonal assignments: HA GLU- 12 - HA GLU- 12 (0.66) kept HA GLU- 10 - HA GLU- 10 (0.17) kept HA LYS+ 108 - HA LYS+ 108 (0.17) kept Reference assignment not found: HA GLU- 75 - HA GLU- 75 Peak 4319 (8.09, 4.22, 56.75 ppm): 56 chemical-shift based assignments, quality = 0.318, support = 1.86, residual support = 9.85: * O HN GLU- 75 - HA GLU- 75 1.786% * 40.2134% (0.07 10.0 3.39 24.11) = 40.213% kept HN LYS+ 110 - HA LYS+ 108 1.786% * 25.4360% (0.65 1.0 1.26 0.39) = 25.436% kept HN LYS+ 110 - HA GLU- 12 1.786% * 12.2764% (0.59 1.0 0.68 0.02) = 12.276% kept HN CYS 121 - HA GLU- 12 1.786% * 3.7950% (0.59 1.0 0.21 0.02) = 3.795% kept HN MET 118 - HA GLU- 12 1.786% * 3.7831% (0.16 1.0 0.75 0.65) = 3.783% kept HN GLU- 75 - HA GLU- 12 1.786% * 3.7268% (0.55 1.0 0.22 0.02) = 3.727% kept HN GLU- 75 - HA ASN 76 1.786% * 2.8814% (0.08 1.0 1.18 0.02) = 2.881% kept HN ASN 15 - HA GLU- 12 1.786% * 1.9350% (0.09 1.0 0.71 1.19) = 1.935% kept HN MET 118 - HA ASN 119 1.786% * 0.6942% (0.03 1.0 0.71 0.02) = 0.694% HN CYS 121 - HA GLU- 10 1.786% * 0.4061% (0.66 1.0 0.02 0.02) = 0.406% HN LYS+ 110 - HA GLU- 10 1.786% * 0.4061% (0.66 1.0 0.02 0.02) = 0.406% HN CYS 121 - HA LYS+ 108 1.786% * 0.4023% (0.65 1.0 0.02 0.02) = 0.402% HN VAL 122 - HA GLU- 10 1.786% * 0.3782% (0.61 1.0 0.02 0.02) = 0.378% HN GLU- 75 - HA GLU- 10 1.786% * 0.3782% (0.61 1.0 0.02 0.02) = 0.378% HN GLU- 75 - HA LYS+ 108 1.786% * 0.3747% (0.61 1.0 0.02 0.02) = 0.375% HN VAL 122 - HA LYS+ 108 1.786% * 0.3747% (0.61 1.0 0.02 0.02) = 0.375% HN VAL 122 - HA GLU- 12 1.786% * 0.3384% (0.55 1.0 0.02 0.02) = 0.338% HN LYS+ 110 - HA GLU- 107 1.786% * 0.1734% (0.28 1.0 0.02 0.02) = 0.173% HN CYS 121 - HA GLU- 107 1.786% * 0.1734% (0.28 1.0 0.02 0.02) = 0.173% HN GLU- 75 - HA GLU- 107 1.786% * 0.1615% (0.26 1.0 0.02 0.02) = 0.162% HN VAL 122 - HA GLU- 107 1.786% * 0.1615% (0.26 1.0 0.02 0.02) = 0.162% HN MET 118 - HA GLU- 10 1.786% * 0.1129% (0.18 1.0 0.02 0.02) = 0.113% HN MET 118 - HA LYS+ 108 1.786% * 0.1119% (0.18 1.0 0.02 0.02) = 0.112% HN SER 88 - HA GLU- 10 1.786% * 0.0793% (0.13 1.0 0.02 0.02) = 0.079% HN SER 88 - HA LYS+ 108 1.786% * 0.0786% (0.13 1.0 0.02 0.02) = 0.079% HN SER 88 - HA GLU- 12 1.786% * 0.0710% (0.12 1.0 0.02 0.02) = 0.071% HN LYS+ 110 - HA ASN 119 1.786% * 0.0702% (0.11 1.0 0.02 0.02) = 0.070% HN CYS 121 - HA ASN 119 1.786% * 0.0702% (0.11 1.0 0.02 0.02) = 0.070% HN GLU- 75 - HA ASN 119 1.786% * 0.0654% (0.11 1.0 0.02 0.02) = 0.065% HN VAL 122 - HA ASN 119 1.786% * 0.0654% (0.11 1.0 0.02 0.02) = 0.065% HN ASN 15 - HA GLU- 10 1.786% * 0.0613% (0.10 1.0 0.02 0.02) = 0.061% HN ASN 15 - HA LYS+ 108 1.786% * 0.0607% (0.10 1.0 0.02 0.02) = 0.061% HN CYS 121 - HA ASN 76 1.786% * 0.0524% (0.09 1.0 0.02 0.02) = 0.052% HN LYS+ 110 - HA ASN 76 1.786% * 0.0524% (0.09 1.0 0.02 0.02) = 0.052% HN VAL 122 - HA ASN 76 1.786% * 0.0488% (0.08 1.0 0.02 0.02) = 0.049% HN MET 118 - HA GLU- 107 1.786% * 0.0482% (0.08 1.0 0.02 0.02) = 0.048% HN LYS+ 110 - HA GLU- 64 1.786% * 0.0471% (0.08 1.0 0.02 0.02) = 0.047% HN CYS 121 - HA GLU- 64 1.786% * 0.0471% (0.08 1.0 0.02 0.02) = 0.047% HN GLU- 75 - HA GLU- 64 1.786% * 0.0438% (0.07 1.0 0.02 0.02) = 0.044% HN VAL 122 - HA GLU- 64 1.786% * 0.0438% (0.07 1.0 0.02 0.02) = 0.044% HN CYS 121 - HA GLU- 75 1.786% * 0.0432% (0.07 1.0 0.02 0.02) = 0.043% HN LYS+ 110 - HA GLU- 75 1.786% * 0.0432% (0.07 1.0 0.02 0.02) = 0.043% HN VAL 122 - HA GLU- 75 1.786% * 0.0402% (0.07 1.0 0.02 0.02) = 0.040% HN SER 88 - HA GLU- 107 1.786% * 0.0339% (0.05 1.0 0.02 0.02) = 0.034% HN ASN 15 - HA GLU- 107 1.786% * 0.0262% (0.04 1.0 0.02 0.02) = 0.026% HN MET 118 - HA ASN 76 1.786% * 0.0146% (0.02 1.0 0.02 0.02) = 0.015% HN SER 88 - HA ASN 119 1.786% * 0.0137% (0.02 1.0 0.02 0.02) = 0.014% HN MET 118 - HA GLU- 64 1.786% * 0.0131% (0.02 1.0 0.02 0.02) = 0.013% HN MET 118 - HA GLU- 75 1.786% * 0.0120% (0.02 1.0 0.02 0.02) = 0.012% HN ASN 15 - HA ASN 119 1.786% * 0.0106% (0.02 1.0 0.02 0.95) = 0.011% HN SER 88 - HA ASN 76 1.786% * 0.0102% (0.02 1.0 0.02 0.02) = 0.010% HN SER 88 - HA GLU- 64 1.786% * 0.0092% (0.01 1.0 0.02 0.02) = 0.009% HN SER 88 - HA GLU- 75 1.786% * 0.0084% (0.01 1.0 0.02 0.02) = 0.008% HN ASN 15 - HA ASN 76 1.786% * 0.0079% (0.01 1.0 0.02 0.02) = 0.008% HN ASN 15 - HA GLU- 64 1.786% * 0.0071% (0.01 1.0 0.02 0.02) = 0.007% HN ASN 15 - HA GLU- 75 1.786% * 0.0065% (0.01 1.0 0.02 0.02) = 0.007% Peak 4322 (8.10, 2.01, 30.52 ppm): 30 chemical-shift based assignments, quality = 0.187, support = 2.15, residual support = 13.5: O HN GLU- 75 - HB3 GLU- 75 3.333% * 55.8674% (0.07 10.0 3.42 24.11) = 55.867% kept HN GLU- 75 - HB2 HIS+ 14 3.333% * 12.2886% (0.34 1.0 0.90 0.13) = 12.289% kept HN LYS+ 110 - HB2 HIS+ 14 3.333% * 11.0446% (0.41 1.0 0.68 0.02) = 11.045% kept HN CYS 121 - HB2 HIS+ 14 3.333% * 9.0314% (0.41 1.0 0.55 0.02) = 9.031% kept HN SER 88 - HB2 HIS+ 14 3.333% * 4.4541% (0.52 1.0 0.22 0.02) = 4.454% kept HN VAL 122 - HB3 GLU- 107 3.333% * 0.7539% (0.95 1.0 0.02 0.02) = 0.754% HN VAL 122 - HB2 HIS+ 14 3.333% * 0.7147% (0.90 1.0 0.02 0.02) = 0.715% HN VAL 122 - HB3 GLU- 75 3.333% * 0.7033% (0.18 1.0 0.10 0.02) = 0.703% HN VAL 122 - HB3 GLU- 10 3.333% * 0.6958% (0.87 1.0 0.02 0.02) = 0.696% HN CYS 121 - HB3 GLU- 75 3.333% * 0.6099% (0.08 1.0 0.18 0.02) = 0.610% HN SER 88 - HB3 GLU- 107 3.333% * 0.4355% (0.55 1.0 0.02 0.02) = 0.435% HN SER 88 - HB3 GLU- 10 3.333% * 0.4019% (0.51 1.0 0.02 0.02) = 0.402% HN LYS+ 110 - HB3 GLU- 107 3.333% * 0.3448% (0.43 1.0 0.02 0.02) = 0.345% HN CYS 121 - HB3 GLU- 107 3.333% * 0.3448% (0.43 1.0 0.02 0.02) = 0.345% HN CYS 121 - HB3 GLU- 10 3.333% * 0.3182% (0.40 1.0 0.02 0.02) = 0.318% HN LYS+ 110 - HB3 GLU- 10 3.333% * 0.3182% (0.40 1.0 0.02 0.02) = 0.318% HN GLY 26 - HB3 GLU- 107 3.333% * 0.2887% (0.36 1.0 0.02 0.02) = 0.289% HN GLU- 75 - HB3 GLU- 107 3.333% * 0.2887% (0.36 1.0 0.02 0.02) = 0.289% HN GLY 26 - HB2 HIS+ 14 3.333% * 0.2737% (0.34 1.0 0.02 0.02) = 0.274% HN GLY 26 - HB3 GLU- 10 3.333% * 0.2664% (0.33 1.0 0.02 0.02) = 0.266% HN GLU- 75 - HB3 GLU- 10 3.333% * 0.2664% (0.33 1.0 0.02 0.02) = 0.266% HN SER 88 - HB3 GLU- 75 3.333% * 0.0843% (0.11 1.0 0.02 0.02) = 0.084% HN LYS+ 110 - HB3 GLU- 75 3.333% * 0.0667% (0.08 1.0 0.02 0.02) = 0.067% HN GLY 26 - HB3 GLU- 75 3.333% * 0.0559% (0.07 1.0 0.02 0.02) = 0.056% HN VAL 122 - HB3 GLU- 56 3.333% * 0.0252% (0.03 1.0 0.02 0.02) = 0.025% HN SER 88 - HB3 GLU- 56 3.333% * 0.0146% (0.02 1.0 0.02 0.02) = 0.015% HN LYS+ 110 - HB3 GLU- 56 3.333% * 0.0115% (0.01 1.0 0.02 0.02) = 0.012% HN CYS 121 - HB3 GLU- 56 3.333% * 0.0115% (0.01 1.0 0.02 0.02) = 0.012% HN GLY 26 - HB3 GLU- 56 3.333% * 0.0096% (0.01 1.0 0.02 0.02) = 0.010% HN GLU- 75 - HB3 GLU- 56 3.333% * 0.0096% (0.01 1.0 0.02 0.02) = 0.010% Peak 4323 (8.10, 2.20, 31.75 ppm): 12 chemical-shift based assignments, quality = 0.0701, support = 3.27, residual support = 23.0: O HN GLU- 75 - HB3 GLU- 75 8.333% * 95.5598% (0.07 10.0 3.42 24.11) = 95.560% kept HN VAL 122 - HB3 GLU- 75 8.333% * 1.2030% (0.18 1.0 0.10 0.02) = 1.203% kept HN CYS 121 - HB3 GLU- 75 8.333% * 1.0432% (0.08 1.0 0.18 0.02) = 1.043% kept HN CYS 121 - HB2 PRO 52 8.333% * 0.7259% (0.13 1.0 0.08 0.02) = 0.726% HN VAL 122 - HB2 PRO 52 8.333% * 0.3978% (0.29 1.0 0.02 1.73) = 0.398% HN SER 88 - HB2 PRO 52 8.333% * 0.2298% (0.17 1.0 0.02 0.02) = 0.230% HN LYS+ 110 - HB2 PRO 52 8.333% * 0.1820% (0.13 1.0 0.02 0.02) = 0.182% HN GLY 26 - HB2 PRO 52 8.333% * 0.1523% (0.11 1.0 0.02 0.02) = 0.152% HN GLU- 75 - HB2 PRO 52 8.333% * 0.1523% (0.11 1.0 0.02 0.02) = 0.152% HN SER 88 - HB3 GLU- 75 8.333% * 0.1442% (0.11 1.0 0.02 0.02) = 0.144% HN LYS+ 110 - HB3 GLU- 75 8.333% * 0.1142% (0.08 1.0 0.02 0.02) = 0.114% HN GLY 26 - HB3 GLU- 75 8.333% * 0.0956% (0.07 1.0 0.02 0.02) = 0.096% Reference assignment not found: HN GLU- 75 - HB2 GLU- 75 Peak 4324 (8.82, 1.96, 35.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4325 (8.84, 2.04, 35.72 ppm): 4 chemical-shift based assignments, quality = 0.101, support = 1.73, residual support = 3.39: O HN LYS+ 32 - HB3 PRO 31 25.000% * 95.4448% (0.10 10.0 1.79 3.55) = 95.445% kept HN LYS+ 60 - HB3 PRO 31 25.000% * 4.4363% (0.14 1.0 0.57 0.02) = 4.436% kept HN ASN 57 - HB3 PRO 31 25.000% * 0.0834% (0.08 1.0 0.02 0.02) = 0.083% HN ILE 68 - HB3 PRO 31 25.000% * 0.0355% (0.03 1.0 0.02 0.02) = 0.036% Not enough quality. Peak unassigned. Peak 4326 (4.80, 2.91, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4327 (4.80, 2.76, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.309, support = 2.33, residual support = 4.56: HA LEU 23 - HB3 ASP- 115 25.000% * 71.3898% (0.37 2.39 5.60) = 71.390% kept HA ASN 15 - HB3 ASP- 115 25.000% * 27.8477% (0.16 2.23 2.00) = 27.848% kept HA GLU- 18 - HB3 ASP- 115 25.000% * 0.3936% (0.25 0.02 0.02) = 0.394% HB THR 39 - HB3 ASP- 115 25.000% * 0.3690% (0.23 0.02 0.02) = 0.369% Peak 4328 (2.62, 1.03, 24.97 ppm): 6 chemical-shift based assignments, quality = 0.976, support = 2.24, residual support = 34.0: * O T HE3 LYS+ 20 - HG3 LYS+ 20 16.667% * 99.7531% (0.98 10.0 10.00 2.24 34.11) = 99.753% kept HB2 ASP- 25 - HG3 LYS+ 20 16.667% * 0.1018% (1.00 1.0 1.00 0.02 0.02) = 0.102% HB2 PHE 34 - HG3 LYS+ 20 16.667% * 0.0617% (0.61 1.0 1.00 0.02 2.39) = 0.062% HG2 MET 118 - HG3 LYS+ 20 16.667% * 0.0495% (0.49 1.0 1.00 0.02 0.02) = 0.050% HB3 ASP- 82 - HG3 LYS+ 20 16.667% * 0.0201% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB3 ASP- 36 - HG3 LYS+ 20 16.667% * 0.0138% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 4329 (0.71, 0.70, 21.72 ppm): 2 diagonal assignments: * QG2 THR 96 - QG2 THR 96 (0.52) kept QG2 VAL 94 - QG2 VAL 94 (0.24) kept Peak 4330 (8.78, 0.69, 14.34 ppm): 4 chemical-shift based assignments, quality = 0.801, support = 4.71, residual support = 39.1: HN THR 95 - QD1 ILE 19 25.000% * 52.8578% (0.94 4.89 33.75) = 52.858% kept * HN PHE 34 - QD1 ILE 19 25.000% * 39.2303% (0.64 5.31 54.24) = 39.230% kept HN SER 69 - QD1 ILE 19 25.000% * 5.3476% (0.79 0.58 0.13) = 5.348% kept HN VAL 62 - QD1 ILE 19 25.000% * 2.5644% (0.44 0.50 0.12) = 2.564% kept Peak 4331 (8.60, 0.69, 14.34 ppm): 4 chemical-shift based assignments, quality = 0.933, support = 5.41, residual support = 39.2: * HN LYS+ 20 - QD1 ILE 19 25.000% * 86.2557% (0.99 6.12 45.44) = 86.256% kept HN THR 39 - QD1 ILE 19 25.000% * 9.6353% (0.60 1.12 0.14) = 9.635% kept HN VAL 80 - QD1 ILE 19 25.000% * 3.9929% (0.56 0.50 0.02) = 3.993% kept HN VAL 73 - QD1 ILE 19 25.000% * 0.1161% (0.41 0.02 0.02) = 0.116% Peak 4332 (6.88, 0.69, 14.34 ppm): 4 chemical-shift based assignments, quality = 0.784, support = 2.05, residual support = 8.71: QD PHE 21 - QD1 ILE 19 25.000% * 67.7370% (0.91 2.40 10.00) = 67.737% kept * HZ PHE 21 - QD1 ILE 19 25.000% * 19.3138% (0.31 2.04 10.00) = 19.314% kept HD21 ASN 119 - QD1 ILE 19 25.000% * 8.3922% (0.99 0.27 0.02) = 8.392% kept HD22 ASN 15 - QD1 ILE 19 25.000% * 4.5569% (0.52 0.28 0.02) = 4.557% kept Peak 4333 (7.33, 0.69, 14.34 ppm): 6 chemical-shift based assignments, quality = 0.9, support = 5.84, residual support = 52.4: * QE PHE 34 - QD1 ILE 19 16.667% * 37.6931% (0.98 6.31 54.24) = 37.693% kept QD PHE 34 - QD1 ILE 19 16.667% * 34.4358% (0.79 7.14 54.24) = 34.436% kept HZ PHE 34 - QD1 ILE 19 16.667% * 24.4014% (0.98 4.09 54.24) = 24.401% kept HZ2 TRP 51 - QD1 ILE 19 16.667% * 1.8753% (0.98 0.31 0.02) = 1.875% kept HN VAL 47 - QD1 ILE 19 16.667% * 0.8287% (0.72 0.19 0.02) = 0.829% HN ARG+ 84 - QD1 ILE 19 16.667% * 0.7657% (0.68 0.18 0.02) = 0.766% Peak 4334 (8.78, 0.02, 16.86 ppm): 4 chemical-shift based assignments, quality = 0.853, support = 5.45, residual support = 33.6: HN THR 95 - QG2 ILE 19 25.000% * 73.9336% (0.96 6.36 33.75) = 73.934% kept * HN PHE 34 - QG2 ILE 19 25.000% * 15.9310% (0.31 4.28 54.24) = 15.931% kept HN SER 69 - QG2 ILE 19 25.000% * 8.8725% (1.00 0.74 0.13) = 8.873% kept HN VAL 62 - QG2 ILE 19 25.000% * 1.2629% (0.17 0.60 0.12) = 1.263% kept Peak 4335 (8.82, 1.76, 31.52 ppm): 3 chemical-shift based assignments, quality = 0.182, support = 0.912, residual support = 2.18: * HN LYS+ 32 - HB3 GLU- 18 33.333% * 78.4057% (0.18 1.09 2.77) = 78.406% kept HN LYS+ 60 - HB3 GLU- 18 33.333% * 20.2193% (0.18 0.29 0.02) = 20.219% kept HN ASN 57 - HB3 GLU- 18 33.333% * 1.3750% (0.17 0.02 0.02) = 1.375% kept Not enough quality. Peak unassigned. Peak 4336 (8.82, 2.02, 31.51 ppm): 9 chemical-shift based assignments, quality = 0.331, support = 0.827, residual support = 0.587: HN LYS+ 60 - HB3 GLU- 75 11.111% * 37.4240% (0.39 1.22 0.18) = 37.424% kept * HN LYS+ 32 - HB2 GLU- 18 11.111% * 18.4748% (0.25 0.95 2.77) = 18.475% kept HN ASN 57 - HB3 GLU- 75 11.111% * 15.2397% (0.38 0.51 0.02) = 15.240% kept HN LYS+ 60 - HB3 GLU- 64 11.111% * 10.8131% (0.25 0.55 0.02) = 10.813% kept HN LYS+ 32 - HB3 GLU- 75 11.111% * 8.8094% (0.40 0.28 0.02) = 8.809% kept HN LYS+ 60 - HB2 GLU- 18 11.111% * 8.0759% (0.24 0.43 0.02) = 8.076% kept HN LYS+ 32 - HB3 GLU- 64 11.111% * 0.4055% (0.26 0.02 0.02) = 0.405% HN ASN 57 - HB3 GLU- 64 11.111% * 0.3870% (0.25 0.02 0.02) = 0.387% HN ASN 57 - HB2 GLU- 18 11.111% * 0.3707% (0.24 0.02 0.02) = 0.371% Peak 4338 (4.86, 2.02, 27.60 ppm): 12 chemical-shift based assignments, quality = 0.872, support = 2.72, residual support = 11.0: HA ASP- 115 - HG2 PRO 116 8.333% * 91.3077% (0.93 2.94 12.01) = 91.308% kept HA THR 96 - HG3 PRO 86 8.333% * 3.3007% (0.29 0.34 0.02) = 3.301% kept HA ASP- 115 - HG3 PRO 86 8.333% * 2.1427% (0.38 0.17 0.02) = 2.143% kept HA ILE 19 - HG2 PRO 112 8.333% * 1.9230% (0.06 0.95 1.03) = 1.923% kept HA THR 96 - HG2 PRO 116 8.333% * 0.4761% (0.72 0.02 0.02) = 0.476% HA ILE 19 - HG2 PRO 116 8.333% * 0.3191% (0.48 0.02 0.02) = 0.319% HA ILE 19 - HG3 PRO 86 8.333% * 0.1283% (0.19 0.02 0.02) = 0.128% HA ASP- 115 - HG3 PRO 112 8.333% * 0.1157% (0.17 0.02 0.02) = 0.116% HA THR 96 - HG3 PRO 112 8.333% * 0.0888% (0.13 0.02 0.02) = 0.089% HA ASP- 115 - HG2 PRO 112 8.333% * 0.0783% (0.12 0.02 0.02) = 0.078% HA THR 96 - HG2 PRO 112 8.333% * 0.0601% (0.09 0.02 0.02) = 0.060% HA ILE 19 - HG3 PRO 112 8.333% * 0.0595% (0.09 0.02 1.03) = 0.060% Peak 4339 (1.96, 1.96, 32.85 ppm): 5 diagonal assignments: HB2 PRO 35 - HB2 PRO 35 (0.66) kept HB VAL 13 - HB VAL 13 (0.61) kept HB3 LYS+ 55 - HB3 LYS+ 55 (0.33) kept HB2 LYS+ 108 - HB2 LYS+ 108 (0.04) kept HB2 GLU- 75 - HB2 GLU- 75 (0.03) kept Reference assignment not found: HB3 LYS+ 117 - HB3 LYS+ 117 Peak 4340 (2.03, 2.03, 29.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HD3 LYS+ 117 - HD3 LYS+ 117 Peak unassigned. Peak 4341 (8.42, 2.03, 29.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN LYS+ 117 - HD3 LYS+ 117 Peak unassigned. Peak 4342 (1.77, 2.23, 42.87 ppm): 12 chemical-shift based assignments, quality = 0.482, support = 2.98, residual support = 16.7: * O T HD3 PRO 59 - HA1 GLY 58 8.333% * 93.2598% (0.47 10.0 10.00 3.16 17.89) = 93.260% kept HG3 LYS+ 63 - HA1 GLY 58 8.333% * 4.2850% (0.61 1.0 1.00 0.72 0.02) = 4.285% kept T HB3 GLU- 18 - HA1 GLY 58 8.333% * 1.6436% (0.84 1.0 10.00 0.02 0.02) = 1.644% kept HG2 ARG+ 84 - HA1 GLY 58 8.333% * 0.1633% (0.83 1.0 1.00 0.02 0.02) = 0.163% HB2 ARG+ 84 - HA1 GLY 58 8.333% * 0.1615% (0.82 1.0 1.00 0.02 0.02) = 0.161% HG3 ARG+ 53 - HA1 GLY 58 8.333% * 0.1429% (0.73 1.0 1.00 0.02 0.02) = 0.143% HG2 PRO 31 - HA1 GLY 58 8.333% * 0.1132% (0.58 1.0 1.00 0.02 0.02) = 0.113% HB2 LEU 17 - HA1 GLY 58 8.333% * 0.0677% (0.34 1.0 1.00 0.02 0.02) = 0.068% HB3 LYS+ 108 - HA1 GLY 58 8.333% * 0.0508% (0.26 1.0 1.00 0.02 0.02) = 0.051% HB3 LYS+ 63 - HA1 GLY 58 8.333% * 0.0508% (0.26 1.0 1.00 0.02 0.02) = 0.051% HB2 LYS+ 117 - HA1 GLY 58 8.333% * 0.0326% (0.17 1.0 1.00 0.02 0.02) = 0.033% HB3 LEU 23 - HA1 GLY 58 8.333% * 0.0288% (0.15 1.0 1.00 0.02 0.02) = 0.029% Peak 4343 (2.23, 1.86, 47.63 ppm): 15 chemical-shift based assignments, quality = 0.392, support = 2.33, residual support = 17.1: * O T HA1 GLY 58 - HD2 PRO 59 6.667% * 95.8693% (0.40 10.0 10.00 2.43 17.89) = 95.869% kept HG3 GLN 102 - HD2 PRO 59 6.667% * 1.8049% (0.63 1.0 1.00 0.24 0.02) = 1.805% kept HG3 GLU- 109 - HD2 PRO 59 6.667% * 0.8374% (0.70 1.0 1.00 0.10 0.02) = 0.837% HG2 PRO 112 - HD2 PRO 59 6.667% * 0.1819% (0.75 1.0 1.00 0.02 0.02) = 0.182% HB3 GLU- 45 - HD2 PRO 59 6.667% * 0.1724% (0.71 1.0 1.00 0.02 0.02) = 0.172% HB2 PRO 52 - HD2 PRO 59 6.667% * 0.1682% (0.70 1.0 1.00 0.02 0.02) = 0.168% HG3 GLN 16 - HD2 PRO 59 6.667% * 0.1634% (0.68 1.0 1.00 0.02 0.55) = 0.163% HG3 GLU- 10 - HD2 PRO 59 6.667% * 0.1581% (0.65 1.0 1.00 0.02 0.02) = 0.158% HB3 ASN 15 - HD2 PRO 59 6.667% * 0.1323% (0.55 1.0 1.00 0.02 0.02) = 0.132% HG3 GLU- 18 - HD2 PRO 59 6.667% * 0.1323% (0.55 1.0 1.00 0.02 0.02) = 0.132% HB2 GLU- 50 - HD2 PRO 59 6.667% * 0.1179% (0.49 1.0 1.00 0.02 0.83) = 0.118% HG3 MET 97 - HD2 PRO 59 6.667% * 0.0959% (0.40 1.0 1.00 0.02 0.02) = 0.096% HG3 MET 126 - HD2 PRO 59 6.667% * 0.0749% (0.31 1.0 1.00 0.02 0.02) = 0.075% HG3 GLU- 107 - HD2 PRO 59 6.667% * 0.0507% (0.21 1.0 1.00 0.02 0.02) = 0.051% HG3 GLU- 54 - HD2 PRO 59 6.667% * 0.0406% (0.17 1.0 1.00 0.02 0.02) = 0.041% Peak 4350 (1.86, 1.75, 47.61 ppm): 11 chemical-shift based assignments, quality = 0.574, support = 2.1, residual support = 7.26: * O HD2 PRO 59 - HD3 PRO 59 9.091% * 76.0460% (0.66 10.0 2.19 7.13) = 76.046% kept O HB2 PRO 59 - HD3 PRO 59 9.091% * 15.0494% (0.13 10.0 2.08 7.13) = 15.049% kept HB3 LYS+ 60 - HD3 PRO 59 9.091% * 5.6012% (0.56 1.0 1.76 12.86) = 5.601% kept HB3 LYS+ 72 - HD3 PRO 59 9.091% * 2.9750% (0.58 1.0 0.90 1.46) = 2.975% kept HB VAL 94 - HD3 PRO 59 9.091% * 0.0759% (0.66 1.0 0.02 0.02) = 0.076% HB2 PRO 104 - HD3 PRO 59 9.091% * 0.0682% (0.60 1.0 0.02 0.02) = 0.068% HB3 ARG+ 84 - HD3 PRO 59 9.091% * 0.0522% (0.46 1.0 0.02 0.02) = 0.052% HD3 PRO 52 - HD3 PRO 59 9.091% * 0.0492% (0.43 1.0 0.02 0.02) = 0.049% HB2 LYS+ 66 - HD3 PRO 59 9.091% * 0.0370% (0.32 1.0 0.02 0.28) = 0.037% HG3 LYS+ 120 - HD3 PRO 59 9.091% * 0.0313% (0.27 1.0 0.02 0.02) = 0.031% HG2 PRO 112 - HD3 PRO 59 9.091% * 0.0145% (0.13 1.0 0.02 0.02) = 0.015% Peak 4351 (1.76, 1.75, 47.61 ppm): 1 diagonal assignment: * HD3 PRO 59 - HD3 PRO 59 (0.60) kept Peak 4352 (1.51, 1.75, 47.61 ppm): 3 chemical-shift based assignments, quality = 0.571, support = 1.07, residual support = 1.2: HG3 LYS+ 72 - HD3 PRO 59 33.333% * 53.2784% (0.61 1.38 1.46) = 53.278% kept HB2 LYS+ 72 - HD3 PRO 59 33.333% * 25.9728% (0.56 0.74 1.46) = 25.973% kept HD3 LYS+ 108 - HD3 PRO 59 33.333% * 20.7488% (0.48 0.68 0.17) = 20.749% kept Peak 4353 (1.19, 1.75, 47.61 ppm): 5 chemical-shift based assignments, quality = 0.325, support = 0.794, residual support = 0.999: HB2 LEU 67 - HD3 PRO 59 20.000% * 45.1347% (0.27 1.08 0.80) = 45.135% kept HB2 LEU 74 - HD3 PRO 59 20.000% * 41.5873% (0.43 0.64 1.53) = 41.587% kept HB3 ARG+ 22 - HD3 PRO 59 20.000% * 10.4071% (0.18 0.37 0.02) = 10.407% kept HB2 LEU 43 - HD3 PRO 59 20.000% * 2.1803% (0.17 0.09 0.02) = 2.180% kept QG2 THR 106 - HD3 PRO 59 20.000% * 0.6906% (0.23 0.02 0.02) = 0.691% Peak 4354 (0.73, 1.75, 47.61 ppm): 9 chemical-shift based assignments, quality = 0.555, support = 0.927, residual support = 0.76: QG1 VAL 40 - HD3 PRO 59 11.111% * 23.4564% (0.66 1.15 0.92) = 23.456% kept HG LEU 74 - HD3 PRO 59 11.111% * 19.3367% (0.46 1.36 1.53) = 19.337% kept QD1 ILE 68 - HD3 PRO 59 11.111% * 13.6841% (0.66 0.66 0.21) = 13.684% kept HG3 LYS+ 66 - HD3 PRO 59 11.111% * 13.2251% (0.58 0.74 0.28) = 13.225% kept QG2 VAL 65 - HD3 PRO 59 11.111% * 12.1918% (0.66 0.59 0.02) = 12.192% kept * QG2 ILE 101 - HD3 PRO 59 11.111% * 10.0326% (0.33 0.97 1.80) = 10.033% kept QG2 ILE 48 - HD3 PRO 59 11.111% * 6.9636% (0.43 0.52 0.02) = 6.964% kept QG2 THR 96 - HD3 PRO 59 11.111% * 0.7518% (0.15 0.16 0.02) = 0.752% HG3 LYS+ 44 - HD3 PRO 59 11.111% * 0.3579% (0.58 0.02 0.02) = 0.358% Peak 4355 (0.54, 1.75, 47.61 ppm): 1 chemical-shift based assignment, quality = 0.376, support = 0.75, residual support = 1.8: * QD1 ILE 101 - HD3 PRO 59 100.000% *100.0000% (0.38 0.75 1.80) = 100.000% kept Peak 4356 (1.86, 1.86, 47.63 ppm): 1 diagonal assignment: * HD2 PRO 59 - HD2 PRO 59 (0.75) kept Peak 4357 (1.76, 1.86, 47.63 ppm): 11 chemical-shift based assignments, quality = 0.672, support = 2.18, residual support = 7.09: * O T HD3 PRO 59 - HD2 PRO 59 9.091% * 99.3859% (0.68 10.0 10.00 2.19 7.13) = 99.386% kept HB3 GLU- 18 - HD2 PRO 59 9.091% * 0.0887% (0.60 1.0 1.00 0.02 0.02) = 0.089% HB2 LEU 17 - HD2 PRO 59 9.091% * 0.0847% (0.58 1.0 1.00 0.02 0.02) = 0.085% HG2 ARG+ 84 - HD2 PRO 59 9.091% * 0.0847% (0.58 1.0 1.00 0.02 0.02) = 0.085% HB2 ARG+ 84 - HD2 PRO 59 9.091% * 0.0805% (0.55 1.0 1.00 0.02 0.02) = 0.080% HG3 ARG+ 53 - HD2 PRO 59 9.091% * 0.0583% (0.40 1.0 1.00 0.02 0.02) = 0.058% HB2 LYS+ 117 - HD2 PRO 59 9.091% * 0.0539% (0.37 1.0 1.00 0.02 0.02) = 0.054% HB3 LEU 23 - HD2 PRO 59 9.091% * 0.0497% (0.34 1.0 1.00 0.02 0.02) = 0.050% HG3 LYS+ 63 - HD2 PRO 59 9.091% * 0.0416% (0.28 1.0 1.00 0.02 0.02) = 0.042% HG2 PRO 31 - HD2 PRO 59 9.091% * 0.0378% (0.26 1.0 1.00 0.02 0.02) = 0.038% HB ILE 48 - HD2 PRO 59 9.091% * 0.0342% (0.23 1.0 1.00 0.02 0.02) = 0.034% Peak 4358 (1.51, 1.86, 47.63 ppm): 3 chemical-shift based assignments, quality = 0.655, support = 1.06, residual support = 1.26: HG3 LYS+ 72 - HD2 PRO 59 33.333% * 57.3655% (0.70 1.39 1.46) = 57.365% kept HB2 LYS+ 72 - HD2 PRO 59 33.333% * 26.6669% (0.63 0.71 1.46) = 26.667% kept HD3 LYS+ 108 - HD2 PRO 59 33.333% * 15.9677% (0.55 0.49 0.17) = 15.968% kept Peak 4359 (1.20, 1.86, 47.63 ppm): 5 chemical-shift based assignments, quality = 0.379, support = 1.26, residual support = 0.955: HB2 LEU 74 - HD2 PRO 59 20.000% * 41.4327% (0.28 1.89 1.53) = 41.433% kept HB2 LEU 67 - HD2 PRO 59 20.000% * 39.7671% (0.52 0.99 0.80) = 39.767% kept HB3 ARG+ 22 - HD2 PRO 59 20.000% * 10.1579% (0.40 0.33 0.02) = 10.158% kept HG12 ILE 100 - HD2 PRO 59 20.000% * 8.4620% (0.19 0.58 0.02) = 8.462% kept QG2 THR 106 - HD2 PRO 59 20.000% * 0.1803% (0.12 0.02 0.02) = 0.180% Peak 4360 (0.74, 1.86, 47.63 ppm): 8 chemical-shift based assignments, quality = 0.577, support = 0.894, residual support = 0.698: QG1 VAL 40 - HD2 PRO 59 12.500% * 24.7754% (0.63 1.18 0.92) = 24.775% kept HG3 LYS+ 66 - HD2 PRO 59 12.500% * 18.5439% (0.75 0.74 0.28) = 18.544% kept QD1 ILE 68 - HD2 PRO 59 12.500% * 15.4762% (0.65 0.71 0.21) = 15.476% kept HG LEU 74 - HD2 PRO 59 12.500% * 13.7706% (0.31 1.34 1.53) = 13.771% kept * QG2 ILE 101 - HD2 PRO 59 12.500% * 9.6428% (0.26 1.10 1.80) = 9.643% kept HG3 LYS+ 44 - HD2 PRO 59 12.500% * 8.9752% (0.75 0.36 0.02) = 8.975% kept QG2 ILE 48 - HD2 PRO 59 12.500% * 6.3780% (0.43 0.45 0.02) = 6.378% kept QG2 VAL 65 - HD2 PRO 59 12.500% * 2.4379% (0.70 0.11 0.02) = 2.438% kept Peak 4361 (0.54, 1.86, 47.63 ppm): 1 chemical-shift based assignment, quality = 0.427, support = 1.05, residual support = 1.8: * QD1 ILE 101 - HD2 PRO 59 100.000% *100.0000% (0.43 1.05 1.80) = 100.000% kept Peak 4362 (4.25, 1.78, 32.81 ppm): 42 chemical-shift based assignments, quality = 0.219, support = 2.04, residual support = 12.2: HA GLU- 64 - HB3 LYS+ 63 2.381% * 52.7937% (0.29 3.22 22.83) = 52.794% kept HA GLU- 56 - HB3 LYS+ 63 2.381% * 8.3451% (0.23 0.63 0.36) = 8.345% kept HA GLU- 54 - HB3 LYS+ 63 2.381% * 7.4131% (0.22 0.60 0.02) = 7.413% kept HB3 SER 49 - HB2 LYS+ 117 2.381% * 7.0617% (0.06 2.13 0.55) = 7.062% kept HA VAL 94 - HB3 LYS+ 63 2.381% * 6.2356% (0.13 0.81 0.45) = 6.236% kept HA PRO 59 - HB3 LYS+ 63 2.381% * 3.5817% (0.31 0.20 0.02) = 3.582% kept HB3 SER 49 - HB3 LYS+ 63 2.381% * 3.0592% (0.11 0.50 0.02) = 3.059% kept HA GLU- 56 - HB2 LYS+ 117 2.381% * 2.2234% (0.13 0.31 0.02) = 2.223% kept HA PRO 52 - HB3 LYS+ 63 2.381% * 2.0147% (0.15 0.24 1.22) = 2.015% kept HA SER 49 - HB2 LYS+ 117 2.381% * 1.4826% (0.07 0.39 0.55) = 1.483% kept HA ASN 76 - HB3 LYS+ 63 2.381% * 0.4094% (0.36 0.02 0.02) = 0.409% HA GLU- 107 - HB3 LYS+ 63 2.381% * 0.4085% (0.36 0.02 0.02) = 0.408% HA ASN 119 - HB3 LYS+ 63 2.381% * 0.4085% (0.36 0.02 0.02) = 0.408% HA ALA 11 - HB3 LYS+ 63 2.381% * 0.4058% (0.35 0.02 0.02) = 0.406% HA GLU- 75 - HB3 LYS+ 63 2.381% * 0.3420% (0.30 0.02 0.02) = 0.342% HA LYS+ 108 - HB3 LYS+ 63 2.381% * 0.2483% (0.22 0.02 0.02) = 0.248% HA GLU- 10 - HB3 LYS+ 63 2.381% * 0.2483% (0.22 0.02 0.02) = 0.248% HA ASN 76 - HB2 LYS+ 117 2.381% * 0.2224% (0.19 0.02 0.02) = 0.222% HA ASN 119 - HB2 LYS+ 117 2.381% * 0.2219% (0.19 0.02 0.02) = 0.222% HA GLU- 107 - HB2 LYS+ 117 2.381% * 0.2219% (0.19 0.02 0.02) = 0.222% HA ALA 11 - HB2 LYS+ 117 2.381% * 0.2205% (0.19 0.02 0.02) = 0.220% HA PRO 59 - HB2 LYS+ 117 2.381% * 0.1929% (0.17 0.02 0.02) = 0.193% HA GLU- 75 - HB2 LYS+ 117 2.381% * 0.1858% (0.16 0.02 0.02) = 0.186% HA GLU- 64 - HB2 LYS+ 117 2.381% * 0.1781% (0.16 0.02 0.02) = 0.178% HA SER 85 - HB3 LYS+ 63 2.381% * 0.1683% (0.15 0.02 0.02) = 0.168% HA ARG+ 84 - HB3 LYS+ 63 2.381% * 0.1683% (0.15 0.02 0.02) = 0.168% HA ALA 42 - HB3 LYS+ 63 2.381% * 0.1683% (0.15 0.02 0.02) = 0.168% HA SER 49 - HB3 LYS+ 63 2.381% * 0.1397% (0.12 0.02 0.02) = 0.140% HA GLU- 54 - HB2 LYS+ 117 2.381% * 0.1349% (0.12 0.02 0.02) = 0.135% HA GLU- 10 - HB2 LYS+ 117 2.381% * 0.1349% (0.12 0.02 0.02) = 0.135% HA LYS+ 108 - HB2 LYS+ 117 2.381% * 0.1349% (0.12 0.02 0.02) = 0.135% HA SER 85 - HB2 LYS+ 117 2.381% * 0.0914% (0.08 0.02 0.02) = 0.091% HA ARG+ 84 - HB2 LYS+ 117 2.381% * 0.0914% (0.08 0.02 0.02) = 0.091% HA PRO 52 - HB2 LYS+ 117 2.381% * 0.0914% (0.08 0.02 0.02) = 0.091% HA ALA 42 - HB2 LYS+ 117 2.381% * 0.0914% (0.08 0.02 0.02) = 0.091% HA VAL 122 - HB3 LYS+ 63 2.381% * 0.0911% (0.08 0.02 0.02) = 0.091% HA VAL 94 - HB2 LYS+ 117 2.381% * 0.0835% (0.07 0.02 0.02) = 0.083% HA GLU- 109 - HB3 LYS+ 63 2.381% * 0.0810% (0.07 0.02 0.02) = 0.081% HA LEU 90 - HB3 LYS+ 63 2.381% * 0.0717% (0.06 0.02 0.02) = 0.072% HA VAL 122 - HB2 LYS+ 117 2.381% * 0.0495% (0.04 0.02 0.02) = 0.050% HA GLU- 109 - HB2 LYS+ 117 2.381% * 0.0440% (0.04 0.02 0.02) = 0.044% HA LEU 90 - HB2 LYS+ 117 2.381% * 0.0390% (0.03 0.02 0.02) = 0.039% Reference assignment not found: HA PRO 59 - HB2 PRO 59 Peaks: selected : 2189 with diagonal assignment : 298 without assignment possibility : 282 with one assignment possibility : 79 with multiple assignment possibilities : 1530 with given assignment possibilities : 0 with unique volume contribution : 282 with multiple volume contributions : 1327 eliminated by violation filter : 0 Peaks: selected : 2189 without assignment : 442 with assignment : 1747 with unique assignment : 451 with multiple assignment : 1296 with reference assignment : 1579 with identical reference assignment : 413 with compatible reference assignment : 1022 with incompatible reference assignment : 80 with additional reference assignment : 64 with additional assignment : 232 Atoms with eliminated volume contribution > 2.5: HN GLU- 10 2.7 HB3 HIS+ 14 3.0 HG3 GLN 16 4.1 HB3 GLU- 18 4.1 HB3 PRO 31 3.5 QB ALA 33 3.0 QG2 VAL 40 2.8 QG2 VAL 47 3.0 QG2 ILE 48 3.3 HB3 SER 49 2.9 HD3 LYS+ 60 3.5 QG2 VAL 62 2.9 HB3 LYS+ 63 3.1 QD1 LEU 67 2.8 QG2 VAL 73 4.6 HB3 GLU- 75 3.5 HB3 ASN 76 2.8 QD2 LEU 90 3.0 HG3 LYS+ 113 6.6 HG3 LYS+ 117 2.6 HB2 ASN 119 2.7 QG2 VAL 125 7.2 HB3 MET 126 2.8 Peak 2 (7.92, 7.88, 143.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 24 (4.80, 6.01, 143.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 25 (4.80, 5.96, 143.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 26 (4.81, 5.83, 143.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 27 (4.81, 5.79, 143.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 28 (4.81, 5.73, 143.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 29 (4.81, 5.65, 143.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 30 (4.81, 5.52, 143.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 31 (4.81, 5.47, 143.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 32 (4.81, 5.39, 143.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 33 (4.81, 5.32, 143.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 34 (4.81, 5.12, 143.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 35 (4.74, 13.02, 143.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 36 (4.75, 12.95, 143.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 37 (4.75, 12.89, 143.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 38 (4.76, 12.72, 143.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 39 (4.68, 5.69, 143.38 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 40 (4.62, 5.13, 143.50 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 41 (-0.72, 5.12, 143.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 42 (-0.77, 5.16, 143.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 43 (2.98, 13.02, 141.66 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 44 (2.98, 12.94, 141.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 45 (2.97, 12.84, 141.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 46 (2.98, 12.76, 141.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 47 (2.98, 12.58, 141.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 48 (2.98, 12.49, 141.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 49 (2.98, 12.37, 141.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 50 (2.98, 12.26, 141.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 51 (2.97, 12.11, 141.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 52 (2.98, 12.06, 141.66 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 53 (2.98, 12.00, 141.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 54 (2.99, 11.73, 141.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 55 (2.98, 11.67, 141.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 56 (2.98, 11.56, 141.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 57 (2.99, 10.76, 141.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 58 (2.99, 10.04, 141.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 59 (2.99, 9.53, 141.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 72 (2.98, 6.01, 141.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 73 (2.98, 5.93, 141.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 74 (2.98, 5.87, 141.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 75 (2.98, 5.81, 141.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 76 (2.98, 5.70, 141.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 77 (2.98, 5.63, 141.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 78 (2.98, 5.53, 141.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 79 (2.98, 5.50, 141.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 80 (2.98, 5.42, 141.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 81 (2.98, 5.36, 141.66 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 82 (2.98, 5.29, 141.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 83 (2.98, 5.24, 141.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 84 (2.98, 5.21, 141.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 85 (2.98, 5.12, 141.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 86 (2.97, 12.33, 141.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 87 (7.92, 7.88, 140.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 116 (0.71, 7.67, 138.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 256 (3.44, 7.05, 133.69 ppm): 6 chemical-shift based assignments, quality = 0.568, support = 1.44, residual support = 2.89: * T HA VAL 80 - QD TYR 83 16.667% * 88.6146% (0.55 10.00 1.54 3.13) = 88.615% kept HA ILE 48 - QD TYR 83 16.667% * 6.4680% (0.89 1.00 0.69 0.19) = 6.468% kept HA VAL 40 - QD TYR 83 16.667% * 4.6259% (0.58 1.00 0.75 2.19) = 4.626% kept HA VAL 62 - QD TYR 83 16.667% * 0.1994% (0.95 1.00 0.02 0.13) = 0.199% HD3 PRO 31 - QD TYR 83 16.667% * 0.0565% (0.27 1.00 0.02 0.02) = 0.057% HA1 GLY 71 - QD TYR 83 16.667% * 0.0356% (0.17 1.00 0.02 0.02) = 0.036% Peak 259 (7.68, 7.05, 133.65 ppm): 1 chemical-shift based assignment, quality = 0.717, support = 5.44, residual support = 66.2: * HN TYR 83 - QD TYR 83 100.000% *100.0000% (0.72 5.44 66.25) = 100.000% kept Peak 272 (4.67, 7.06, 133.71 ppm): 5 chemical-shift based assignments, quality = 0.914, support = 3.7, residual support = 57.3: * HA TYR 83 - QD TYR 83 20.000% * 86.4865% (0.93 4.20 66.25) = 86.487% kept HA ASN 89 - QD TYR 83 20.000% * 10.7143% (0.86 0.56 0.02) = 10.714% kept HA PRO 35 - QD TYR 83 20.000% * 2.4608% (0.86 0.13 0.02) = 2.461% kept HA LYS+ 120 - QD TYR 83 20.000% * 0.2663% (0.60 0.02 0.02) = 0.266% HA GLN 16 - QD TYR 83 20.000% * 0.0721% (0.16 0.02 0.02) = 0.072% Peak 273 (3.35, 7.06, 133.69 ppm): 1 chemical-shift based assignment, quality = 0.945, support = 3.49, residual support = 66.2: * O T HB3 TYR 83 - QD TYR 83 100.000% *100.0000% (0.95 10.0 10.00 3.49 66.25) = 100.000% kept Peak 274 (7.33, 7.32, 133.43 ppm): 1 diagonal assignment: * QD PHE 34 - QD PHE 34 (0.75) kept Peak 280 (7.05, 7.05, 133.60 ppm): 1 diagonal assignment: * QD TYR 83 - QD TYR 83 (0.94) kept Peak 286 (3.16, 7.32, 133.39 ppm): 3 chemical-shift based assignments, quality = 0.744, support = 2.86, residual support = 26.8: * O T HB3 PHE 34 - QD PHE 34 33.333% * 60.4822% (0.86 10.0 10.00 3.31 41.03) = 60.482% kept T HD3 ARG+ 84 - QD PHE 34 33.333% * 39.4756% (0.56 1.0 10.00 2.18 5.06) = 39.476% kept HB3 HIS+ 98 - QD PHE 34 33.333% * 0.0423% (0.60 1.0 1.00 0.02 0.02) = 0.042% Peak 288 (2.61, 7.32, 133.37 ppm): 6 chemical-shift based assignments, quality = 0.928, support = 3.18, residual support = 36.6: * O T HB2 PHE 34 - QD PHE 34 16.667% * 88.5965% (0.97 10.0 10.00 3.28 41.03) = 88.597% kept HE3 LYS+ 20 - QD PHE 34 16.667% * 7.9200% (0.74 1.0 1.00 2.33 2.39) = 7.920% kept HB3 PRO 35 - QD PHE 34 16.667% * 3.3269% (0.27 1.0 1.00 2.70 1.38) = 3.327% kept HG2 MET 118 - QD PHE 34 16.667% * 0.0857% (0.94 1.0 1.00 0.02 0.02) = 0.086% HB2 ASP- 25 - QD PHE 34 16.667% * 0.0574% (0.63 1.0 1.00 0.02 0.02) = 0.057% HG2 PRO 112 - QD PHE 34 16.667% * 0.0134% (0.15 1.0 1.00 0.02 0.02) = 0.013% Peak 289 (1.57, 7.32, 133.45 ppm): 11 chemical-shift based assignments, quality = 0.74, support = 4.32, residual support = 39.5: * T HB ILE 19 - QD PHE 34 9.091% * 56.4016% (0.96 10.00 4.99 54.24) = 56.402% kept T HB3 LYS+ 32 - QD PHE 34 9.091% * 32.2171% (0.55 10.00 3.86 21.84) = 32.217% kept T HD3 LYS+ 32 - QD PHE 34 9.091% * 8.7802% (0.15 10.00 2.90 21.84) = 8.780% kept QB ALA 42 - QD PHE 34 9.091% * 1.5521% (0.63 1.00 0.84 0.02) = 1.552% kept T HD3 LYS+ 60 - QD PHE 34 9.091% * 0.5383% (0.92 10.00 0.02 0.02) = 0.538% T HB3 LEU 90 - QD PHE 34 9.091% * 0.3222% (0.55 10.00 0.02 0.02) = 0.322% HG LEU 17 - QD PHE 34 9.091% * 0.0558% (0.95 1.00 0.02 0.02) = 0.056% HD3 LYS+ 81 - QD PHE 34 9.091% * 0.0510% (0.87 1.00 0.02 0.02) = 0.051% HG12 ILE 29 - QD PHE 34 9.091% * 0.0368% (0.63 1.00 0.02 0.02) = 0.037% HG13 ILE 29 - QD PHE 34 9.091% * 0.0255% (0.43 1.00 0.02 0.02) = 0.026% QG2 THR 24 - QD PHE 34 9.091% * 0.0194% (0.33 1.00 0.02 0.02) = 0.019% Peak 290 (1.41, 7.32, 133.40 ppm): 13 chemical-shift based assignments, quality = 0.801, support = 2.84, residual support = 7.57: HD3 LYS+ 44 - QD PHE 34 7.692% * 53.9779% (0.89 4.19 13.12) = 53.978% kept QB ALA 37 - QD PHE 34 7.692% * 14.4712% (0.96 1.04 0.32) = 14.471% kept * QG2 THR 38 - QD PHE 34 7.692% * 12.9428% (0.72 1.24 1.04) = 12.943% kept HD3 LYS+ 20 - QD PHE 34 7.692% * 12.8020% (0.45 1.99 2.39) = 12.802% kept HG LEU 67 - QD PHE 34 7.692% * 3.6862% (0.83 0.31 0.02) = 3.686% kept HG13 ILE 100 - QD PHE 34 7.692% * 0.9413% (0.80 0.08 0.02) = 0.941% QB ALA 91 - QD PHE 34 7.692% * 0.2299% (0.80 0.02 0.02) = 0.230% QB ALA 93 - QD PHE 34 7.692% * 0.2299% (0.80 0.02 0.02) = 0.230% HD3 LYS+ 113 - QD PHE 34 7.692% * 0.1741% (0.60 0.02 0.02) = 0.174% HG3 LYS+ 55 - QD PHE 34 7.692% * 0.1625% (0.56 0.02 0.02) = 0.163% HG3 ARG+ 22 - QD PHE 34 7.692% * 0.1625% (0.56 0.02 1.95) = 0.163% HG3 LYS+ 113 - QD PHE 34 7.692% * 0.1398% (0.48 0.02 0.02) = 0.140% HG LEU 90 - QD PHE 34 7.692% * 0.0798% (0.28 0.02 0.02) = 0.080% Peak 291 (0.69, 7.32, 133.42 ppm): 9 chemical-shift based assignments, quality = 0.985, support = 4.65, residual support = 29.9: * T QD1 ILE 19 - QD PHE 34 11.111% * 44.2974% (1.00 10.00 7.14 54.24) = 44.297% kept T QG2 ILE 48 - QD PHE 34 11.111% * 44.0930% (1.00 10.00 2.55 2.63) = 44.093% kept HG12 ILE 19 - QD PHE 34 11.111% * 8.6515% (0.98 1.00 3.99 54.24) = 8.651% kept QG2 ILE 101 - QD PHE 34 11.111% * 2.0884% (0.88 1.00 1.07 0.49) = 2.088% kept QG2 ILE 68 - QD PHE 34 11.111% * 0.7453% (0.99 1.00 0.34 0.84) = 0.745% QG2 VAL 94 - QD PHE 34 11.111% * 0.0439% (0.99 1.00 0.02 0.02) = 0.044% QG1 VAL 65 - QD PHE 34 11.111% * 0.0322% (0.73 1.00 0.02 0.02) = 0.032% QG1 VAL 62 - QD PHE 34 11.111% * 0.0251% (0.57 1.00 0.02 0.02) = 0.025% QG2 THR 96 - QD PHE 34 11.111% * 0.0233% (0.53 1.00 0.02 0.02) = 0.023% Peak 295 (8.92, 6.88, 131.84 ppm): 4 chemical-shift based assignments, quality = 0.251, support = 4.92, residual support = 36.8: * HN PHE 21 - QD PHE 21 25.000% * 58.5962% (0.31 4.80 49.74) = 58.596% kept HN ARG+ 22 - QD PHE 21 25.000% * 38.1812% (0.17 5.51 20.17) = 38.181% kept HN THR 96 - QD PHE 21 25.000% * 2.5887% (0.22 0.29 0.02) = 2.589% kept HN GLN 102 - QD PHE 21 25.000% * 0.6339% (0.79 0.02 0.02) = 0.634% Peak 297 (7.02, 6.88, 131.81 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 3.09, residual support = 49.7: * O T QE PHE 21 - QD PHE 21 100.000% *100.0000% (0.44 10.0 10.00 3.09 49.74) = 100.000% kept Peak 298 (6.89, 6.88, 131.83 ppm): 1 diagonal assignment: * QD PHE 21 - QD PHE 21 (0.98) kept Peak 299 (2.96, 6.88, 131.80 ppm): 4 chemical-shift based assignments, quality = 0.645, support = 3.73, residual support = 49.7: * O T HB2 PHE 21 - QD PHE 21 25.000% * 99.8734% (0.65 10.0 10.00 3.74 49.74) = 99.873% kept HE3 LYS+ 113 - QD PHE 21 25.000% * 0.0546% (0.35 1.0 1.00 0.02 0.02) = 0.055% HE2 LYS+ 117 - QD PHE 21 25.000% * 0.0496% (0.32 1.0 1.00 0.02 0.02) = 0.050% HE3 LYS+ 55 - QD PHE 21 25.000% * 0.0224% (0.15 1.0 1.00 0.02 0.02) = 0.022% Peak 300 (2.76, 6.88, 131.84 ppm): 2 chemical-shift based assignments, quality = 0.202, support = 0.826, residual support = 0.566: T HB2 ASN 119 - QD PHE 21 50.000% * 94.8357% (0.20 10.00 0.85 0.59) = 94.836% kept HB3 ASP- 115 - QD PHE 21 50.000% * 5.1643% (0.28 1.00 0.33 0.14) = 5.164% kept Reference assignment not found: HB3 PHE 21 - QD PHE 21 Peak 301 (1.94, 6.89, 131.81 ppm): 15 chemical-shift based assignments, quality = 0.619, support = 3.52, residual support = 18.8: * T HB ILE 29 - QD PHE 21 6.667% * 56.5425% (0.72 10.00 4.65 30.76) = 56.542% kept T HB2 LEU 23 - QD PHE 21 6.667% * 40.9671% (0.52 10.00 2.17 3.50) = 40.967% kept HB2 PRO 116 - QD PHE 21 6.667% * 0.7791% (0.97 1.00 0.20 0.02) = 0.779% HG3 PRO 31 - QD PHE 21 6.667% * 0.4913% (0.75 1.00 0.17 0.02) = 0.491% HB VAL 13 - QD PHE 21 6.667% * 0.4152% (0.41 1.00 0.26 0.02) = 0.415% HB2 GLU- 75 - QD PHE 21 6.667% * 0.2793% (0.93 1.00 0.08 0.02) = 0.279% HG3 PRO 116 - QD PHE 21 6.667% * 0.1729% (0.44 1.00 0.10 0.02) = 0.173% HD3 LYS+ 63 - QD PHE 21 6.667% * 0.0883% (0.27 1.00 0.08 0.02) = 0.088% HB2 GLU- 10 - QD PHE 21 6.667% * 0.0763% (0.97 1.00 0.02 0.02) = 0.076% HB3 LYS+ 55 - QD PHE 21 6.667% * 0.0624% (0.79 1.00 0.02 0.02) = 0.062% HB2 PRO 35 - QD PHE 21 6.667% * 0.0410% (0.52 1.00 0.02 0.02) = 0.041% HG2 PRO 112 - QD PHE 21 6.667% * 0.0281% (0.36 1.00 0.02 0.02) = 0.028% HB3 GLU- 109 - QD PHE 21 6.667% * 0.0240% (0.30 1.00 0.02 0.02) = 0.024% HB2 PRO 112 - QD PHE 21 6.667% * 0.0206% (0.26 1.00 0.02 0.02) = 0.021% HB3 GLN 102 - QD PHE 21 6.667% * 0.0120% (0.15 1.00 0.02 0.02) = 0.012% Peak 302 (1.66, 6.88, 131.76 ppm): 10 chemical-shift based assignments, quality = 0.585, support = 2.53, residual support = 11.3: HG2 ARG+ 22 - QD PHE 21 10.000% * 50.8528% (0.45 4.16 20.17) = 50.853% kept HB3 LYS+ 66 - QD PHE 21 10.000% * 19.2865% (0.93 0.77 0.02) = 19.286% kept HB3 MET 126 - QD PHE 21 10.000% * 16.8761% (0.83 0.75 0.41) = 16.876% kept HG13 ILE 19 - QD PHE 21 10.000% * 9.7462% (0.26 1.40 10.00) = 9.746% kept HB3 LYS+ 81 - QD PHE 21 10.000% * 1.5059% (0.71 0.08 0.02) = 1.506% kept HB ILE 100 - QD PHE 21 10.000% * 0.4974% (0.92 0.02 0.02) = 0.497% HG3 ARG+ 84 - QD PHE 21 10.000% * 0.4843% (0.90 0.02 0.02) = 0.484% HB3 MET 97 - QD PHE 21 10.000% * 0.4747% (0.88 0.02 1.80) = 0.475% HD3 LYS+ 55 - QD PHE 21 10.000% * 0.1883% (0.35 0.02 0.02) = 0.188% HG2 PRO 52 - QD PHE 21 10.000% * 0.0879% (0.16 0.02 0.02) = 0.088% Reference assignment not found: HB3 ARG+ 22 - QD PHE 21 Peak 303 (0.94, 6.88, 131.84 ppm): 10 chemical-shift based assignments, quality = 0.865, support = 1.57, residual support = 8.1: * QG2 ILE 29 - QD PHE 21 10.000% * 23.5848% (0.84 2.41 30.76) = 23.585% kept QG1 VAL 105 - QD PHE 21 10.000% * 18.2184% (0.97 1.61 1.18) = 18.218% kept QG2 VAL 105 - QD PHE 21 10.000% * 15.7105% (0.92 1.45 1.18) = 15.710% kept QD1 LEU 17 - QD PHE 21 10.000% * 13.4762% (0.95 1.22 0.84) = 13.476% kept HG12 ILE 68 - QD PHE 21 10.000% * 12.0526% (0.69 1.50 0.94) = 12.053% kept QG2 VAL 62 - QD PHE 21 10.000% * 10.4397% (0.95 0.94 0.42) = 10.440% kept QG2 VAL 99 - QD PHE 21 10.000% * 3.9377% (0.45 0.75 4.45) = 3.938% kept QG2 VAL 73 - QD PHE 21 10.000% * 2.3240% (0.87 0.23 0.02) = 2.324% kept HG3 LYS+ 110 - QD PHE 21 10.000% * 0.1421% (0.61 0.02 0.02) = 0.142% QG2 VAL 80 - QD PHE 21 10.000% * 0.1140% (0.49 0.02 0.02) = 0.114% Peak 306 (7.34, 7.34, 131.44 ppm): 1 diagonal assignment: * QE PHE 34 - QE PHE 34 (0.87) kept Peak 313 (1.58, 7.34, 131.42 ppm): 11 chemical-shift based assignments, quality = 0.731, support = 4.26, residual support = 32.0: * T HB3 LYS+ 32 - QE PHE 34 9.091% * 44.1955% (0.92 10.00 4.37 21.84) = 44.196% kept T HB ILE 19 - QE PHE 34 9.091% * 32.0925% (0.67 10.00 4.82 54.24) = 32.093% kept T HD3 LYS+ 32 - QE PHE 34 9.091% * 22.7412% (0.47 10.00 3.43 21.84) = 22.741% kept QB ALA 42 - QE PHE 34 9.091% * 0.5228% (0.24 1.00 0.90 0.02) = 0.523% T HD3 LYS+ 60 - QE PHE 34 9.091% * 0.2645% (0.55 10.00 0.02 0.02) = 0.265% T HB3 LEU 90 - QE PHE 34 9.091% * 0.0925% (0.19 10.00 0.02 0.02) = 0.092% HG LEU 17 - QE PHE 34 9.091% * 0.0302% (0.63 1.00 0.02 0.02) = 0.030% HD3 LYS+ 81 - QE PHE 34 9.091% * 0.0227% (0.47 1.00 0.02 0.02) = 0.023% HB3 PRO 52 - QE PHE 34 9.091% * 0.0159% (0.33 1.00 0.02 0.02) = 0.016% HG12 ILE 29 - QE PHE 34 9.091% * 0.0116% (0.24 1.00 0.02 0.02) = 0.012% HG2 LYS+ 110 - QE PHE 34 9.091% * 0.0104% (0.22 1.00 0.02 0.02) = 0.010% Peak 314 (1.40, 7.34, 131.45 ppm): 11 chemical-shift based assignments, quality = 0.644, support = 2.52, residual support = 5.73: HD3 LYS+ 20 - QE PHE 34 9.091% * 43.3338% (0.94 1.94 2.39) = 43.334% kept HD3 LYS+ 44 - QE PHE 34 9.091% * 35.1618% (0.33 4.44 13.12) = 35.162% kept QB ALA 37 - QE PHE 34 9.091% * 8.3844% (0.75 0.47 0.32) = 8.384% kept * QG2 THR 38 - QE PHE 34 9.091% * 5.4884% (0.19 1.20 1.04) = 5.488% kept HG LEU 67 - QE PHE 34 9.091% * 3.8484% (0.90 0.18 0.02) = 3.848% kept QG2 THR 39 - QE PHE 34 9.091% * 2.3925% (0.40 0.25 0.02) = 2.392% kept HG13 ILE 100 - QE PHE 34 9.091% * 0.4389% (0.93 0.02 0.02) = 0.439% QB ALA 93 - QE PHE 34 9.091% * 0.4389% (0.93 0.02 0.02) = 0.439% HG13 ILE 68 - QE PHE 34 9.091% * 0.2814% (0.59 0.02 0.84) = 0.281% HG2 LYS+ 78 - QE PHE 34 9.091% * 0.1157% (0.24 0.02 0.02) = 0.116% QB ALA 91 - QE PHE 34 9.091% * 0.1157% (0.24 0.02 0.02) = 0.116% Peak 318 (0.69, 7.34, 131.43 ppm): 10 chemical-shift based assignments, quality = 0.935, support = 4.14, residual support = 33.3: * T QD1 ILE 19 - QE PHE 34 10.000% * 50.2754% (0.95 10.00 6.31 54.24) = 50.275% kept T QG2 ILE 48 - QE PHE 34 10.000% * 39.2738% (0.96 10.00 1.53 2.63) = 39.274% kept HG12 ILE 19 - QE PHE 34 10.000% * 9.2260% (0.88 1.00 3.95 54.24) = 9.226% kept QG2 ILE 101 - QE PHE 34 10.000% * 0.7175% (0.92 1.00 0.29 0.49) = 0.717% QG2 ILE 68 - QE PHE 34 10.000% * 0.3454% (0.90 1.00 0.14 0.84) = 0.345% QG2 VAL 94 - QE PHE 34 10.000% * 0.0481% (0.90 1.00 0.02 0.02) = 0.048% QG1 VAL 65 - QE PHE 34 10.000% * 0.0452% (0.85 1.00 0.02 0.02) = 0.045% QG2 THR 96 - QE PHE 34 10.000% * 0.0358% (0.67 1.00 0.02 0.02) = 0.036% QG1 VAL 62 - QE PHE 34 10.000% * 0.0214% (0.40 1.00 0.02 0.02) = 0.021% HG LEU 74 - QE PHE 34 10.000% * 0.0116% (0.22 1.00 0.02 0.02) = 0.012% Peak 320 (7.34, 7.04, 130.49 ppm): 7 chemical-shift based assignments, quality = 0.695, support = 1.59, residual support = 3.5: HZ PHE 34 - QE PHE 21 14.286% * 44.8191% (0.82 2.07 1.86) = 44.819% kept * QE PHE 34 - QE PHE 21 14.286% * 22.6203% (0.82 1.04 1.86) = 22.620% kept QD PHE 34 - QE PHE 21 14.286% * 16.1558% (0.48 1.27 1.86) = 16.156% kept HN VAL 47 - QE PHE 21 14.286% * 15.6920% (0.41 1.44 12.42) = 15.692% kept HZ2 TRP 51 - QE PHE 21 14.286% * 0.4330% (0.82 0.02 0.02) = 0.433% HN ARG+ 84 - QE PHE 21 14.286% * 0.2012% (0.38 0.02 0.02) = 0.201% HE22 GLN 102 - QE PHE 21 14.286% * 0.0786% (0.15 0.02 0.02) = 0.079% Peak 321 (7.05, 7.04, 130.39 ppm): 1 diagonal assignment: * QE PHE 21 - QE PHE 21 (0.94) kept Peak 322 (0.92, 7.04, 130.39 ppm): 14 chemical-shift based assignments, quality = 0.698, support = 1.55, residual support = 4.72: HG12 ILE 68 - QE PHE 21 7.143% * 23.6825% (0.97 1.83 0.94) = 23.682% kept QG2 VAL 105 - QE PHE 21 7.143% * 14.8917% (0.82 1.37 1.18) = 14.892% kept * QD1 LEU 67 - QE PHE 21 7.143% * 13.7784% (0.37 2.82 11.03) = 13.778% kept QD1 LEU 17 - QE PHE 21 7.143% * 12.9360% (0.78 1.24 0.84) = 12.936% kept QG1 VAL 47 - QE PHE 21 7.143% * 8.7488% (0.30 2.18 12.42) = 8.749% kept QG1 VAL 105 - QE PHE 21 7.143% * 5.5854% (0.75 0.56 1.18) = 5.585% kept QG2 ILE 29 - QE PHE 21 7.143% * 4.9381% (0.27 1.36 30.76) = 4.938% kept HG3 LYS+ 110 - QE PHE 21 7.143% * 4.7747% (0.98 0.37 0.02) = 4.775% kept QG2 VAL 80 - QE PHE 21 7.143% * 4.4737% (0.96 0.35 0.02) = 4.474% kept QG2 VAL 62 - QE PHE 21 7.143% * 4.1984% (0.40 0.78 0.42) = 4.198% kept QG2 VAL 73 - QE PHE 21 7.143% * 1.7455% (0.30 0.43 0.02) = 1.745% kept HG3 LYS+ 117 - QE PHE 21 7.143% * 0.1169% (0.44 0.02 0.02) = 0.117% QG2 VAL 40 - QE PHE 21 7.143% * 0.0650% (0.24 0.02 0.02) = 0.065% QG2 VAL 87 - QE PHE 21 7.143% * 0.0650% (0.24 0.02 0.02) = 0.065% Peak 323 (6.89, 7.04, 130.37 ppm): 3 chemical-shift based assignments, quality = 0.973, support = 3.09, residual support = 49.7: * O QD PHE 21 - QE PHE 21 33.333% * 99.8255% (0.97 10.0 3.09 49.74) = 99.826% kept HD21 ASN 119 - QE PHE 21 33.333% * 0.0903% (0.88 1.0 0.02 0.59) = 0.090% HD22 ASN 15 - QE PHE 21 33.333% * 0.0841% (0.82 1.0 0.02 0.02) = 0.084% Peak 324 (7.29, 7.27, 129.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 326 (6.87, 6.85, 129.44 ppm): 1 diagonal assignment: * HZ PHE 21 - HZ PHE 21 (0.78) kept Peak 328 (7.34, 7.33, 128.64 ppm): 1 diagonal assignment: * HZ PHE 34 - HZ PHE 34 (0.94) kept Peak 332 (1.59, 7.33, 128.62 ppm): 9 chemical-shift based assignments, quality = 0.784, support = 3.88, residual support = 26.9: * T HB3 LYS+ 32 - HZ PHE 34 11.111% * 44.9730% (0.93 10.00 4.28 21.84) = 44.973% kept T HD3 LYS+ 32 - HZ PHE 34 11.111% * 38.9243% (0.81 10.00 3.74 21.84) = 38.924% kept T HB ILE 19 - HZ PHE 34 11.111% * 15.8959% (0.33 10.00 3.14 54.24) = 15.896% kept T HD3 LYS+ 60 - HZ PHE 34 11.111% * 0.1162% (0.24 10.00 0.02 0.02) = 0.116% HB3 PRO 52 - HZ PHE 34 11.111% * 0.0320% (0.66 1.00 0.02 0.02) = 0.032% HG2 LYS+ 110 - HZ PHE 34 11.111% * 0.0245% (0.51 1.00 0.02 0.02) = 0.025% HG LEU 17 - HZ PHE 34 11.111% * 0.0144% (0.30 1.00 0.02 0.02) = 0.014% HG3 LYS+ 78 - HZ PHE 34 11.111% * 0.0104% (0.21 1.00 0.02 0.02) = 0.010% HD3 LYS+ 81 - HZ PHE 34 11.111% * 0.0092% (0.19 1.00 0.02 0.02) = 0.009% Peak 333 (1.32, 7.33, 128.67 ppm): 4 chemical-shift based assignments, quality = 0.917, support = 1.25, residual support = 2.05: T QG2 THR 46 - HZ PHE 34 25.000% * 89.4492% (0.92 10.00 1.23 2.07) = 89.449% kept HB2 ARG+ 22 - HZ PHE 34 25.000% * 10.4589% (0.90 1.00 1.47 1.95) = 10.459% kept QB ALA 103 - HZ PHE 34 25.000% * 0.0620% (0.39 1.00 0.02 0.02) = 0.062% HB2 LYS+ 55 - HZ PHE 34 25.000% * 0.0299% (0.19 1.00 0.02 0.02) = 0.030% Peak 334 (9.49, 7.15, 128.31 ppm): 3 chemical-shift based assignments, quality = 0.864, support = 1.68, residual support = 97.6: * O HE1 TRP 51 - HD1 TRP 51 33.333% * 99.8408% (0.87 10.0 1.69 97.75) = 99.841% kept HN ALA 70 - HD1 TRP 51 33.333% * 0.1353% (0.99 1.0 0.02 0.02) = 0.135% HN HIS+ 98 - HD1 TRP 51 33.333% * 0.0239% (0.17 1.0 0.02 0.02) = 0.024% Peak 338 (7.16, 7.15, 128.32 ppm): 1 diagonal assignment: * HD1 TRP 51 - HD1 TRP 51 (0.95) kept Peak 341 (3.04, 7.15, 128.34 ppm): 2 chemical-shift based assignments, quality = 0.449, support = 3.31, residual support = 94.3: * O HB3 TRP 51 - HD1 TRP 51 50.000% * 96.4522% (0.44 10.0 3.41 97.75) = 96.452% kept HB3 HIS+ 14 - HD1 TRP 51 50.000% * 3.5478% (0.75 1.0 0.43 0.14) = 3.548% kept Peak 342 (1.79, 7.15, 128.34 ppm): 10 chemical-shift based assignments, quality = 0.826, support = 0.494, residual support = 1.36: T HB3 LYS+ 63 - HD1 TRP 51 10.000% * 73.0990% (0.83 10.00 0.47 1.40) = 73.099% kept HG3 LYS+ 63 - HD1 TRP 51 10.000% * 13.0239% (0.98 1.00 0.71 1.40) = 13.024% kept HG2 ARG+ 84 - HD1 TRP 51 10.000% * 6.3246% (0.72 1.00 0.47 1.28) = 6.325% kept HB2 ARG+ 84 - HD1 TRP 51 10.000% * 6.1197% (0.76 1.00 0.43 1.28) = 6.120% kept HG2 PRO 31 - HD1 TRP 51 10.000% * 0.3696% (0.99 1.00 0.02 0.12) = 0.370% * HG3 ARG+ 53 - HD1 TRP 51 10.000% * 0.3420% (0.92 1.00 0.02 0.02) = 0.342% HB3 LYS+ 108 - HD1 TRP 51 10.000% * 0.3094% (0.83 1.00 0.02 0.02) = 0.309% HB3 GLU- 18 - HD1 TRP 51 10.000% * 0.2545% (0.68 1.00 0.02 0.02) = 0.254% HB2 GLU- 109 - HD1 TRP 51 10.000% * 0.0924% (0.25 1.00 0.02 0.02) = 0.092% HD3 LYS+ 72 - HD1 TRP 51 10.000% * 0.0649% (0.17 1.00 0.02 0.02) = 0.065% Reference assignment eliminated. Peak 346 (7.22, 7.22, 127.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 350 (7.34, 7.20, 125.23 ppm): 6 chemical-shift based assignments, quality = 0.984, support = 1.74, residual support = 97.3: * O HZ2 TRP 51 - HH2 TRP 51 16.667% * 99.5720% (0.99 10.0 1.75 97.75) = 99.572% kept HZ PHE 34 - HH2 TRP 51 16.667% * 0.1140% (0.99 1.0 0.02 0.02) = 0.114% QE PHE 34 - HH2 TRP 51 16.667% * 0.1140% (0.99 1.0 0.02 0.02) = 0.114% QD PHE 34 - HH2 TRP 51 16.667% * 0.0744% (0.64 1.0 0.02 0.02) = 0.074% HN VAL 47 - HH2 TRP 51 16.667% * 0.0651% (0.56 1.0 0.02 4.00) = 0.065% HN ARG+ 84 - HH2 TRP 51 16.667% * 0.0605% (0.52 1.0 0.02 1.28) = 0.061% Peak 351 (6.74, 7.20, 125.26 ppm): 2 chemical-shift based assignments, quality = 0.991, support = 2.28, residual support = 97.7: * O T HZ3 TRP 51 - HH2 TRP 51 50.000% * 99.9200% (0.99 10.0 10.00 2.29 97.75) = 99.920% kept QE TYR 83 - HH2 TRP 51 50.000% * 0.0800% (0.79 1.0 1.00 0.02 0.02) = 0.080% Peak 352 (0.58, 7.19, 125.29 ppm): 4 chemical-shift based assignments, quality = 0.76, support = 4.06, residual support = 24.1: * T QD1 LEU 23 - HH2 TRP 51 25.000% * 67.5809% (0.88 10.00 4.46 31.30) = 67.581% kept T QD1 ILE 101 - HH2 TRP 51 25.000% * 20.3550% (0.26 10.00 3.18 7.19) = 20.355% kept QG2 VAL 122 - HH2 TRP 51 25.000% * 12.0538% (0.94 1.00 3.32 12.43) = 12.054% kept QG2 ILE 48 - HH2 TRP 51 25.000% * 0.0103% (0.13 1.00 0.02 0.02) = 0.010% Peak 353 (7.20, 7.43, 125.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 356 (6.93, 6.87, 124.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 357 (1.44, 12.99, 124.34 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 358 (7.37, 7.48, 122.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 359 (7.37, 7.41, 122.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 360 (7.37, 7.36, 122.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 361 (7.37, 7.32, 122.61 ppm): 2 chemical-shift based assignments, quality = 0.177, support = 0.438, residual support = 0.27: HN GLU- 64 - HN VAL 47 50.000% * 50.9061% (0.05 0.75 0.51) = 50.906% kept HE22 GLN 102 - HN VAL 47 50.000% * 49.0939% (0.31 0.12 0.02) = 49.094% kept Not enough quality. Peak unassigned. Peak 362 (7.37, 7.28, 122.66 ppm): 2 chemical-shift based assignments, quality = 0.0188, support = 0.484, residual support = 0.306: HN GLU- 64 - HN VAL 47 50.000% * 58.1657% (0.01 0.75 0.51) = 58.166% kept HE22 GLN 102 - HN VAL 47 50.000% * 41.8343% (0.03 0.12 0.02) = 41.834% kept Not enough quality. Peak unassigned. Peak 363 (7.27, 7.36, 122.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 364 (7.37, 7.25, 122.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 367 (7.15, 7.14, 122.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 368 (6.73, 6.72, 122.11 ppm): 1 diagonal assignment: * HZ3 TRP 51 - HZ3 TRP 51 (0.35) kept Peak 372 (7.10, 7.08, 121.38 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 373 (7.03, 6.99, 121.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 374 (6.99, 6.97, 121.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 375 (7.31, 7.30, 121.18 ppm): 1 diagonal assignment: * HN ARG+ 84 - HN ARG+ 84 (0.44) kept Peak 376 (6.93, 6.91, 121.26 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 377 (7.66, 7.65, 120.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 378 (7.50, 7.49, 120.20 ppm): 1 diagonal assignment: * HE3 TRP 51 - HE3 TRP 51 (0.92) kept Peak 379 (6.72, 7.49, 120.23 ppm): 2 chemical-shift based assignments, quality = 0.37, support = 2.82, residual support = 95.4: * O T HZ3 TRP 51 - HE3 TRP 51 50.000% * 97.6422% (0.36 10.0 10.00 2.88 97.75) = 97.642% kept QE TYR 83 - HE3 TRP 51 50.000% * 2.3578% (0.74 1.0 1.00 0.24 0.02) = 2.358% kept Peak 380 (0.89, 7.49, 120.17 ppm): 10 chemical-shift based assignments, quality = 0.861, support = 1.12, residual support = 1.41: * QG1 VAL 47 - HE3 TRP 51 10.000% * 28.1915% (0.82 1.48 4.00) = 28.192% kept QG2 VAL 40 - HE3 TRP 51 10.000% * 25.2309% (0.88 1.23 0.80) = 25.231% kept QG2 VAL 87 - HE3 TRP 51 10.000% * 21.8391% (0.88 1.07 0.14) = 21.839% kept QG1 VAL 80 - HE3 TRP 51 10.000% * 17.8058% (0.97 0.79 0.28) = 17.806% kept QG2 VAL 125 - HE3 TRP 51 10.000% * 6.0304% (0.75 0.35 0.02) = 6.030% kept QD1 LEU 67 - HE3 TRP 51 10.000% * 0.3485% (0.75 0.02 0.02) = 0.349% HG3 LYS+ 117 - HE3 TRP 51 10.000% * 0.3133% (0.67 0.02 0.02) = 0.313% QG2 ILE 100 - HE3 TRP 51 10.000% * 0.0903% (0.19 0.02 1.36) = 0.090% QD1 LEU 90 - HE3 TRP 51 10.000% * 0.0799% (0.17 0.02 0.02) = 0.080% QG2 VAL 80 - HE3 TRP 51 10.000% * 0.0704% (0.15 0.02 0.28) = 0.070% Peak 411 (7.00, 5.54, 120.02 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 446 (3.07, 7.00, 119.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 447 (3.04, 7.09, 119.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 448 (2.97, 6.92, 119.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 452 (6.93, 12.85, 119.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 460 (6.92, 7.26, 119.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 474 (2.17, 6.73, 118.66 ppm): 10 chemical-shift based assignments, quality = 0.68, support = 1.46, residual support = 8.38: HB2 ASP- 82 - QE TYR 83 10.000% * 44.4736% (0.86 2.10 17.19) = 44.474% kept HB3 GLU- 75 - QE TYR 83 10.000% * 15.5197% (0.41 1.54 2.23) = 15.520% kept * HB3 LYS+ 78 - QE TYR 83 10.000% * 12.0603% (0.33 1.50 2.49) = 12.060% kept HB VAL 47 - QE TYR 83 10.000% * 7.9171% (0.47 0.69 0.91) = 7.917% kept HG2 PRO 112 - QE TYR 83 10.000% * 7.2316% (0.93 0.32 0.24) = 7.232% kept HB VAL 99 - QE TYR 83 10.000% * 4.5829% (0.66 0.28 0.02) = 4.583% kept HB3 PRO 104 - QE TYR 83 10.000% * 4.1900% (0.70 0.24 0.02) = 4.190% kept HG2 PRO 104 - QE TYR 83 10.000% * 3.4848% (0.89 0.16 0.02) = 3.485% kept HG2 GLN 102 - QE TYR 83 10.000% * 0.4352% (0.89 0.02 0.02) = 0.435% HG2 MET 126 - QE TYR 83 10.000% * 0.1050% (0.21 0.02 0.02) = 0.105% Peak 475 (7.06, 6.73, 118.61 ppm): 2 chemical-shift based assignments, quality = 0.866, support = 2.13, residual support = 66.2: * O T QD TYR 83 - QE TYR 83 50.000% * 99.9620% (0.87 10.0 10.00 2.13 66.25) = 99.962% kept QE PHE 21 - QE TYR 83 50.000% * 0.0380% (0.33 1.0 1.00 0.02 0.02) = 0.038% Peak 477 (6.74, 6.73, 118.64 ppm): 1 diagonal assignment: * QE TYR 83 - QE TYR 83 (0.94) kept Peak 479 (2.39, 6.73, 118.60 ppm): 5 chemical-shift based assignments, quality = 0.84, support = 0.72, residual support = 2.34: * T HB2 LYS+ 78 - QE TYR 83 20.000% * 93.9162% (0.85 10.00 0.75 2.49) = 93.916% kept HG2 PRO 112 - QE TYR 83 20.000% * 2.9987% (0.64 1.00 0.32 0.24) = 2.999% kept HB3 ASP- 28 - QE TYR 83 20.000% * 2.8729% (0.92 1.00 0.21 0.02) = 2.873% kept HB3 GLU- 50 - QE TYR 83 20.000% * 0.1755% (0.59 1.00 0.02 0.02) = 0.176% HG3 GLU- 50 - QE TYR 83 20.000% * 0.0367% (0.12 1.00 0.02 0.02) = 0.037% Peak 480 (0.90, 6.73, 118.58 ppm): 10 chemical-shift based assignments, quality = 0.888, support = 0.857, residual support = 1.01: QG1 VAL 47 - QE TYR 83 10.000% * 39.1977% (0.93 1.23 0.91) = 39.198% kept * QG2 VAL 40 - QE TYR 83 10.000% * 24.1371% (0.94 0.75 2.19) = 24.137% kept QD1 LEU 67 - QE TYR 83 10.000% * 20.7621% (0.91 0.67 0.36) = 20.762% kept HG3 LYS+ 117 - QE TYR 83 10.000% * 12.1607% (0.87 0.41 0.42) = 12.161% kept HG12 ILE 68 - QE TYR 83 10.000% * 1.8677% (0.19 0.29 0.02) = 1.868% kept QG2 VAL 87 - QE TYR 83 10.000% * 0.6437% (0.94 0.02 0.02) = 0.644% QG1 VAL 80 - QE TYR 83 10.000% * 0.5376% (0.78 0.02 3.13) = 0.538% QG2 VAL 125 - QE TYR 83 10.000% * 0.3133% (0.46 0.02 0.02) = 0.313% QG2 VAL 80 - QE TYR 83 10.000% * 0.2196% (0.32 0.02 3.13) = 0.220% HG3 LYS+ 110 - QE TYR 83 10.000% * 0.1605% (0.23 0.02 0.02) = 0.160% Peak 482 (7.09, 6.78, 118.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 489 (6.79, 6.79, 118.34 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 495 (7.92, 7.89, 116.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 497 (7.48, 7.61, 114.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 498 (7.47, 7.46, 114.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 499 (7.34, 7.47, 114.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 500 (7.34, 7.33, 114.77 ppm): 1 diagonal assignment: * HZ2 TRP 51 - HZ2 TRP 51 (0.92) kept Peak 502 (7.21, 7.46, 114.83 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 503 (7.20, 7.33, 114.77 ppm): 4 chemical-shift based assignments, quality = 0.948, support = 2.08, residual support = 97.7: * O HH2 TRP 51 - HZ2 TRP 51 25.000% * 83.5917% (0.96 10.0 1.75 97.75) = 83.592% kept HN TRP 51 - HZ2 TRP 51 25.000% * 16.3833% (0.87 1.0 3.81 97.75) = 16.383% kept HH2 TRP 51 - HN ILE 48 25.000% * 0.0132% (0.13 1.0 0.02 0.02) = 0.013% HN TRP 51 - HN ILE 48 25.000% * 0.0118% (0.12 1.0 0.02 0.02) = 0.012% Peak 504 (7.92, 7.87, 113.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 505 (7.92, 7.95, 111.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 506 (7.93, 7.89, 112.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 507 (7.88, 7.83, 111.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 508 (8.02, 7.98, 111.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 509 (7.92, 7.89, 111.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 510 (4.81, 5.49, 111.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 511 (4.81, 5.39, 111.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 512 (4.83, 5.33, 111.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 513 (4.82, 5.23, 111.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 514 (4.82, 5.18, 111.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 515 (4.81, 5.13, 111.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 516 (4.59, 5.13, 111.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 517 (5.03, 7.32, 133.43 ppm): 1 chemical-shift based assignment, quality = 0.173, support = 0.659, residual support = 0.843: HA ILE 68 - QD PHE 34 100.000% *100.0000% (0.17 0.66 0.84) = 100.000% kept Not enough quality. Peak unassigned. Peak 518 (7.04, 6.85, 129.44 ppm): 2 chemical-shift based assignments, quality = 0.971, support = 1.11, residual support = 49.7: * O QE PHE 21 - HZ PHE 21 50.000% * 99.9042% (0.97 10.0 1.11 49.74) = 99.904% kept QD TYR 83 - HZ PHE 21 50.000% * 0.0958% (0.52 1.0 0.02 0.02) = 0.096% Peak 519 (6.74, 7.05, 133.60 ppm): 2 chemical-shift based assignments, quality = 0.809, support = 2.12, residual support = 66.2: * O T QE TYR 83 - QD TYR 83 50.000% * 99.8807% (0.81 10.0 10.00 2.13 66.25) = 99.881% kept HZ3 TRP 51 - QD TYR 83 50.000% * 0.1193% (0.97 1.0 1.00 0.02 0.02) = 0.119% Peak 522 (2.98, 7.08, 133.60 ppm): 4 chemical-shift based assignments, quality = 0.364, support = 0.423, residual support = 0.271: HE2 LYS+ 117 - QD TYR 83 25.000% * 44.4571% (0.39 0.48 0.42) = 44.457% kept HE3 LYS+ 55 - QD TYR 83 25.000% * 38.4442% (0.33 0.50 0.21) = 38.444% kept HB2 PHE 21 - QD TYR 83 25.000% * 8.7393% (0.35 0.11 0.02) = 8.739% kept HE3 LYS+ 113 - QD TYR 83 25.000% * 8.3594% (0.39 0.09 0.02) = 8.359% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 523 (3.86, 7.32, 133.43 ppm): 10 chemical-shift based assignments, quality = 0.602, support = 1.1, residual support = 0.714: * HD3 PRO 35 - QD PHE 34 10.000% * 48.0940% (0.37 1.90 1.38) = 48.094% kept HA GLU- 45 - QD PHE 34 10.000% * 25.6399% (0.75 0.50 0.17) = 25.640% kept HB2 SER 85 - QD PHE 34 10.000% * 18.7059% (0.97 0.28 0.02) = 18.706% kept HD2 PRO 86 - QD PHE 34 10.000% * 1.4278% (0.25 0.09 0.02) = 1.428% kept HB3 SER 88 - QD PHE 34 10.000% * 1.3339% (0.98 0.02 0.02) = 1.334% kept HA2 GLY 114 - QD PHE 34 10.000% * 1.2988% (0.95 0.02 0.02) = 1.299% kept HB3 SER 77 - QD PHE 34 10.000% * 1.2988% (0.95 0.02 0.02) = 1.299% kept HB3 SER 27 - QD PHE 34 10.000% * 1.0776% (0.79 0.02 0.02) = 1.078% kept HA LYS+ 117 - QD PHE 34 10.000% * 0.7080% (0.52 0.02 0.02) = 0.708% HD2 PRO 116 - QD PHE 34 10.000% * 0.4154% (0.30 0.02 0.02) = 0.415% Peak 524 (8.75, 7.32, 133.43 ppm): 4 chemical-shift based assignments, quality = 0.626, support = 3.42, residual support = 40.2: * HN PHE 34 - QD PHE 34 25.000% * 97.9843% (0.64 3.50 41.03) = 97.984% kept HN VAL 62 - QD PHE 34 25.000% * 0.7240% (0.82 0.02 0.02) = 0.724% HN ILE 101 - QD PHE 34 25.000% * 0.6624% (0.75 0.02 0.49) = 0.662% HN GLU- 56 - QD PHE 34 25.000% * 0.6294% (0.72 0.02 0.96) = 0.629% Peak 525 (3.69, 7.15, 128.34 ppm): 3 chemical-shift based assignments, quality = 0.746, support = 3.46, residual support = 97.6: * O HB2 TRP 51 - HD1 TRP 51 33.333% * 99.8565% (0.75 10.0 3.47 97.75) = 99.857% kept HA LYS+ 81 - HD1 TRP 51 33.333% * 0.0898% (0.67 1.0 0.02 0.02) = 0.090% HB3 SER 69 - HD1 TRP 51 33.333% * 0.0537% (0.40 1.0 0.02 0.02) = 0.054% Peak 526 (9.50, 7.33, 114.77 ppm): 4 chemical-shift based assignments, quality = 0.978, support = 1.64, residual support = 97.6: * O HE1 TRP 51 - HZ2 TRP 51 25.000% * 99.8566% (0.98 10.0 1.65 97.75) = 99.857% kept HN ALA 70 - HZ2 TRP 51 25.000% * 0.1109% (0.90 1.0 0.02 0.02) = 0.111% HE1 TRP 51 - HN ILE 48 25.000% * 0.0170% (0.14 1.0 0.02 0.02) = 0.017% HN ALA 70 - HN ILE 48 25.000% * 0.0155% (0.13 1.0 0.02 0.02) = 0.016% Peak 527 (1.96, 7.33, 114.77 ppm): 26 chemical-shift based assignments, quality = 0.57, support = 0.317, residual support = 1.15: HG3 PRO 31 - HZ2 TRP 51 3.846% * 28.9660% (0.53 0.48 0.12) = 28.966% kept HG2 PRO 112 - HZ2 TRP 51 3.846% * 26.4971% (0.44 0.53 0.82) = 26.497% kept HB2 PRO 35 - HZ2 TRP 51 3.846% * 11.3630% (0.76 0.13 0.14) = 11.363% kept HB VAL 13 - HZ2 TRP 51 3.846% * 9.4181% (0.87 0.09 8.96) = 9.418% kept HB3 LYS+ 55 - HZ2 TRP 51 3.846% * 8.1448% (0.49 0.15 0.42) = 8.145% kept HB3 GLU- 109 - HZ2 TRP 51 3.846% * 2.1723% (0.94 0.02 0.02) = 2.172% kept HB VAL 73 - HZ2 TRP 51 3.846% * 2.1198% (0.92 0.02 0.02) = 2.120% kept HG3 PRO 104 - HZ2 TRP 51 3.846% * 1.9919% (0.87 0.02 0.02) = 1.992% kept HG3 PRO 116 - HZ2 TRP 51 3.846% * 1.9181% (0.83 0.02 0.02) = 1.918% kept HB3 GLU- 56 - HZ2 TRP 51 3.846% * 1.7550% (0.76 0.02 0.19) = 1.755% kept HB2 PRO 86 - HZ2 TRP 51 3.846% * 1.3001% (0.57 0.02 0.02) = 1.300% kept HB2 LYS+ 108 - HZ2 TRP 51 3.846% * 0.8619% (0.37 0.02 0.02) = 0.862% HB2 GLU- 75 - HZ2 TRP 51 3.846% * 0.7088% (0.31 0.02 0.02) = 0.709% HB3 GLU- 109 - HN ILE 48 3.846% * 0.3037% (0.13 0.02 0.02) = 0.304% HB VAL 73 - HN ILE 48 3.846% * 0.2964% (0.13 0.02 0.02) = 0.296% HB VAL 13 - HN ILE 48 3.846% * 0.2785% (0.12 0.02 0.02) = 0.279% HG3 PRO 104 - HN ILE 48 3.846% * 0.2785% (0.12 0.02 0.02) = 0.279% HG3 PRO 116 - HN ILE 48 3.846% * 0.2682% (0.12 0.02 0.02) = 0.268% HB2 PRO 35 - HN ILE 48 3.846% * 0.2454% (0.11 0.02 0.32) = 0.245% HB3 GLU- 56 - HN ILE 48 3.846% * 0.2454% (0.11 0.02 0.02) = 0.245% HB2 PRO 86 - HN ILE 48 3.846% * 0.1818% (0.08 0.02 0.49) = 0.182% HG3 PRO 31 - HN ILE 48 3.846% * 0.1689% (0.07 0.02 0.02) = 0.169% HB3 LYS+ 55 - HN ILE 48 3.846% * 0.1563% (0.07 0.02 0.02) = 0.156% HG2 PRO 112 - HN ILE 48 3.846% * 0.1404% (0.06 0.02 0.02) = 0.140% HB2 LYS+ 108 - HN ILE 48 3.846% * 0.1205% (0.05 0.02 0.02) = 0.121% HB2 GLU- 75 - HN ILE 48 3.846% * 0.0991% (0.04 0.02 0.02) = 0.099% Peak 528 (0.58, 7.33, 114.77 ppm): 6 chemical-shift based assignments, quality = 0.794, support = 2.49, residual support = 20.0: QD1 LEU 23 - HZ2 TRP 51 16.667% * 44.2808% (0.80 2.88 31.30) = 44.281% kept QG2 VAL 122 - HZ2 TRP 51 16.667% * 41.9215% (0.92 2.37 12.43) = 41.922% kept * QD1 ILE 101 - HZ2 TRP 51 16.667% * 13.0667% (0.41 1.66 7.19) = 13.067% kept QD1 ILE 101 - HN ILE 48 16.667% * 0.6386% (0.06 0.58 0.14) = 0.639% QG2 VAL 122 - HN ILE 48 16.667% * 0.0495% (0.13 0.02 0.02) = 0.050% QD1 LEU 23 - HN ILE 48 16.667% * 0.0430% (0.11 0.02 0.33) = 0.043% Peak 529 (4.39, 7.15, 128.34 ppm): 15 chemical-shift based assignments, quality = 0.511, support = 3.41, residual support = 88.7: * HA TRP 51 - HD1 TRP 51 6.667% * 90.7349% (0.55 3.76 97.75) = 90.735% kept HA PRO 116 - HD1 TRP 51 6.667% * 1.4722% (0.44 0.08 0.02) = 1.472% kept HA HIS+ 14 - HD1 TRP 51 6.667% * 1.0059% (0.24 0.09 0.14) = 1.006% kept HA SER 88 - HD1 TRP 51 6.667% * 0.8456% (0.97 0.02 0.02) = 0.846% HA ALA 91 - HD1 TRP 51 6.667% * 0.8071% (0.92 0.02 0.02) = 0.807% HA ASN 57 - HD1 TRP 51 6.667% * 0.7401% (0.85 0.02 0.02) = 0.740% HA THR 95 - HD1 TRP 51 6.667% * 0.7127% (0.82 0.02 0.02) = 0.713% HA SER 27 - HD1 TRP 51 6.667% * 0.6520% (0.75 0.02 0.11) = 0.652% HA ALA 37 - HD1 TRP 51 6.667% * 0.6195% (0.71 0.02 0.02) = 0.620% HA PRO 104 - HD1 TRP 51 6.667% * 0.6195% (0.71 0.02 0.02) = 0.620% HA LYS+ 60 - HD1 TRP 51 6.667% * 0.5175% (0.59 0.02 0.02) = 0.517% HA PRO 112 - HD1 TRP 51 6.667% * 0.4489% (0.51 0.02 0.82) = 0.449% HA PRO 86 - HD1 TRP 51 6.667% * 0.3202% (0.37 0.02 0.02) = 0.320% HB THR 61 - HD1 TRP 51 6.667% * 0.2910% (0.33 0.02 0.02) = 0.291% HA2 GLY 26 - HD1 TRP 51 6.667% * 0.2127% (0.24 0.02 0.02) = 0.213% Peak 530 (3.04, 7.49, 120.17 ppm): 2 chemical-shift based assignments, quality = 0.525, support = 3.62, residual support = 91.1: * O T HB3 TRP 51 - HE3 TRP 51 50.000% * 93.1696% (0.51 10.0 10.00 3.80 97.75) = 93.170% kept HB3 HIS+ 14 - HE3 TRP 51 50.000% * 6.8304% (0.67 1.0 1.00 1.12 0.14) = 6.830% kept Peak 531 (3.69, 7.49, 120.17 ppm): 3 chemical-shift based assignments, quality = 0.746, support = 3.9, residual support = 97.6: * O T HB2 TRP 51 - HE3 TRP 51 33.333% * 99.8565% (0.75 10.0 10.00 3.90 97.75) = 99.857% kept HA LYS+ 81 - HE3 TRP 51 33.333% * 0.0898% (0.67 1.0 1.00 0.02 0.02) = 0.090% HB3 SER 69 - HE3 TRP 51 33.333% * 0.0537% (0.40 1.0 1.00 0.02 0.02) = 0.054% Peak 532 (4.40, 7.49, 120.17 ppm): 14 chemical-shift based assignments, quality = 0.355, support = 2.92, residual support = 63.0: * HA TRP 51 - HE3 TRP 51 7.143% * 64.3909% (0.17 4.48 97.75) = 64.391% kept HA HIS+ 14 - HE3 TRP 51 7.143% * 8.4327% (0.67 0.15 0.14) = 8.433% kept HA SER 88 - HE3 TRP 51 7.143% * 8.4000% (0.63 0.16 0.02) = 8.400% kept HA PRO 86 - HE3 TRP 51 7.143% * 5.9550% (0.82 0.09 0.02) = 5.955% kept HA LYS+ 66 - HE3 TRP 51 7.143% * 2.8163% (0.44 0.08 0.02) = 2.816% kept HA PRO 104 - HE3 TRP 51 7.143% * 1.6405% (0.98 0.02 0.02) = 1.641% kept HA THR 95 - HE3 TRP 51 7.143% * 1.6080% (0.96 0.02 0.02) = 1.608% kept HA ASN 57 - HE3 TRP 51 7.143% * 1.5832% (0.94 0.02 0.02) = 1.583% kept HA PRO 112 - HE3 TRP 51 7.143% * 1.5519% (0.92 0.02 0.82) = 1.552% kept HA PRO 116 - HE3 TRP 51 7.143% * 1.4713% (0.88 0.02 0.02) = 1.471% kept HA ALA 91 - HE3 TRP 51 7.143% * 0.8631% (0.51 0.02 0.02) = 0.863% HA SER 27 - HE3 TRP 51 7.143% * 0.5063% (0.30 0.02 0.11) = 0.506% HA ALA 37 - HE3 TRP 51 7.143% * 0.4561% (0.27 0.02 0.02) = 0.456% HA LYS+ 60 - HE3 TRP 51 7.143% * 0.3247% (0.19 0.02 0.02) = 0.325% Peak 533 (6.92, 6.92, 119.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 534 (7.01, 7.00, 119.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 535 (7.09, 7.09, 119.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 536 (8.10, 6.73, 118.61 ppm): 6 chemical-shift based assignments, quality = 0.441, support = 1.26, residual support = 1.23: * HN GLU- 75 - QE TYR 83 16.667% * 54.0168% (0.36 1.99 2.23) = 54.017% kept HN GLY 26 - QE TYR 83 16.667% * 17.5948% (0.36 0.65 0.10) = 17.595% kept HN SER 88 - QE TYR 83 16.667% * 15.1189% (0.55 0.37 0.02) = 15.119% kept HN VAL 122 - QE TYR 83 16.667% * 8.6030% (0.95 0.12 0.02) = 8.603% kept HN CYS 121 - QE TYR 83 16.667% * 4.0167% (0.43 0.12 0.02) = 4.017% kept HN LYS+ 110 - QE TYR 83 16.667% * 0.6498% (0.43 0.02 0.02) = 0.650% Peak 537 (2.45, 6.78, 118.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 538 (0.92, 6.78, 118.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 539 (7.48, 7.46, 114.83 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 540 (0.69, 6.94, 119.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 541 (1.23, 6.94, 119.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 542 (1.64, 6.94, 119.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 543 (3.12, 6.94, 119.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 544 (4.98, 6.94, 119.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 545 (6.94, 6.94, 119.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 546 (3.95, 6.73, 118.60 ppm): 3 chemical-shift based assignments, quality = 0.857, support = 2.31, residual support = 21.7: * HA LEU 74 - QE TYR 83 33.333% * 98.8631% (0.87 2.33 21.96) = 98.863% kept HA1 GLY 114 - QE TYR 83 33.333% * 0.8879% (0.91 0.02 0.02) = 0.888% HB THR 96 - QE TYR 83 33.333% * 0.2491% (0.25 0.02 0.02) = 0.249% Peak 547 (4.70, 6.73, 118.60 ppm): 9 chemical-shift based assignments, quality = 0.386, support = 1.25, residual support = 44.6: * HA TYR 83 - QE TYR 83 11.111% * 67.3392% (0.28 1.81 66.25) = 67.339% kept HA THR 39 - QE TYR 83 11.111% * 12.3095% (0.48 0.19 0.02) = 12.310% kept HA GLN 16 - QE TYR 83 11.111% * 9.8232% (0.87 0.09 0.02) = 9.823% kept HA2 GLY 30 - QE TYR 83 11.111% * 4.7295% (0.41 0.09 0.02) = 4.729% kept HA VAL 99 - QE TYR 83 11.111% * 2.0177% (0.77 0.02 0.02) = 2.018% kept HA THR 61 - QE TYR 83 11.111% * 1.6593% (0.63 0.02 0.02) = 1.659% kept HA ASN 89 - QE TYR 83 11.111% * 1.2709% (0.48 0.02 0.02) = 1.271% kept HA LYS+ 20 - QE TYR 83 11.111% * 0.4780% (0.18 0.02 0.02) = 0.478% HA PRO 35 - QE TYR 83 11.111% * 0.3727% (0.14 0.02 0.02) = 0.373% Peak 548 (0.46, 6.73, 118.58 ppm): 2 chemical-shift based assignments, quality = 0.898, support = 3.11, residual support = 20.0: * QD2 LEU 74 - QE TYR 83 50.000% * 91.2349% (0.94 3.35 21.96) = 91.235% kept QD2 LEU 43 - QE TYR 83 50.000% * 8.7651% (0.49 0.61 0.02) = 8.765% kept Peak 549 (-0.05, 6.73, 118.58 ppm): 1 chemical-shift based assignment, quality = 0.569, support = 4.32, residual support = 22.0: * T QD1 LEU 74 - QE TYR 83 100.000% *100.0000% (0.57 10.00 4.32 21.96) = 100.000% kept Peak 550 (2.32, 7.06, 133.69 ppm): 6 chemical-shift based assignments, quality = 0.674, support = 3.31, residual support = 61.3: * O T HB2 TYR 83 - QD TYR 83 16.667% * 92.5468% (0.66 10.0 10.00 3.49 66.25) = 92.547% kept HG2 PRO 112 - QD TYR 83 16.667% * 7.1245% (0.86 1.0 1.00 1.19 0.24) = 7.125% kept HB3 PRO 86 - QD TYR 83 16.667% * 0.1244% (0.89 1.0 1.00 0.02 0.02) = 0.124% HG2 GLU- 64 - QD TYR 83 16.667% * 0.0925% (0.66 1.0 1.00 0.02 0.02) = 0.093% HB3 PRO 116 - QD TYR 83 16.667% * 0.0817% (0.58 1.0 1.00 0.02 0.02) = 0.082% HG3 GLU- 56 - QD TYR 83 16.667% * 0.0300% (0.21 1.0 1.00 0.02 0.02) = 0.030% Peak 551 (1.68, 7.06, 133.69 ppm): 9 chemical-shift based assignments, quality = 0.63, support = 1.85, residual support = 7.0: HG3 ARG+ 84 - QD TYR 83 11.111% * 43.9101% (0.36 3.35 15.69) = 43.910% kept HB3 LYS+ 81 - QD TYR 83 11.111% * 30.3826% (0.89 0.94 0.23) = 30.383% kept HD3 LYS+ 55 - QD TYR 83 11.111% * 16.6183% (0.93 0.49 0.21) = 16.618% kept HB3 LYS+ 66 - QD TYR 83 11.111% * 3.7247% (0.55 0.19 0.02) = 3.725% kept HB3 MET 126 - QD TYR 83 11.111% * 3.2707% (0.77 0.12 0.02) = 3.271% kept HG13 ILE 19 - QD TYR 83 11.111% * 0.6271% (0.86 0.02 0.02) = 0.627% HG2 PRO 52 - QD TYR 83 11.111% * 0.5344% (0.74 0.02 0.02) = 0.534% HB3 MET 97 - QD TYR 83 11.111% * 0.5078% (0.70 0.02 0.02) = 0.508% HB ILE 100 - QD TYR 83 11.111% * 0.4241% (0.58 0.02 0.02) = 0.424% Peak 552 (0.90, 7.06, 133.69 ppm): 10 chemical-shift based assignments, quality = 0.868, support = 1.16, residual support = 1.33: QG1 VAL 47 - QD TYR 83 10.000% * 24.1960% (0.96 1.59 0.91) = 24.196% kept * QG2 VAL 40 - QD TYR 83 10.000% * 19.7378% (0.93 1.33 2.19) = 19.738% kept HG3 LYS+ 117 - QD TYR 83 10.000% * 17.8737% (0.96 1.17 0.42) = 17.874% kept QD1 LEU 67 - QD TYR 83 10.000% * 11.6032% (0.96 0.76 0.36) = 11.603% kept QG1 VAL 80 - QD TYR 83 10.000% * 9.1470% (0.66 0.87 3.13) = 9.147% kept QG2 VAL 80 - QD TYR 83 10.000% * 8.7199% (0.47 1.17 3.13) = 8.720% kept QG2 VAL 87 - QD TYR 83 10.000% * 6.8895% (0.93 0.46 0.02) = 6.889% kept HG12 ILE 68 - QD TYR 83 10.000% * 1.6130% (0.30 0.34 0.02) = 1.613% kept HG3 LYS+ 110 - QD TYR 83 10.000% * 0.1153% (0.36 0.02 0.02) = 0.115% QG2 VAL 125 - QD TYR 83 10.000% * 0.1048% (0.33 0.02 0.02) = 0.105% Peak 553 (0.46, 7.06, 133.69 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 1.86, residual support = 20.0: * T QD2 LEU 74 - QD TYR 83 50.000% * 91.2248% (0.96 10.00 2.00 21.96) = 91.225% kept T QD2 LEU 43 - QD TYR 83 50.000% * 8.7752% (0.51 10.00 0.36 0.02) = 8.775% kept Peak 554 (-0.05, 7.06, 133.69 ppm): 1 chemical-shift based assignment, quality = 0.585, support = 2.48, residual support = 22.0: * T QD1 LEU 74 - QD TYR 83 100.000% *100.0000% (0.58 10.00 2.48 21.96) = 100.000% kept Peak 555 (7.20, 7.20, 125.23 ppm): 1 diagonal assignment: * HH2 TRP 51 - HH2 TRP 51 (1.00) kept Peak 556 (6.75, 7.33, 114.77 ppm): 4 chemical-shift based assignments, quality = 0.972, support = 1.87, residual support = 97.1: * O HZ3 TRP 51 - HZ2 TRP 51 25.000% * 99.2852% (0.98 10.0 1.88 97.75) = 99.285% kept QE TYR 83 - HZ2 TRP 51 25.000% * 0.6901% (0.69 1.0 0.19 0.02) = 0.690% HZ3 TRP 51 - HN ILE 48 25.000% * 0.0145% (0.13 1.0 0.02 0.02) = 0.015% QE TYR 83 - HN ILE 48 25.000% * 0.0102% (0.09 1.0 0.02 0.19) = 0.010% Peak 557 (1.63, 7.19, 125.29 ppm): 10 chemical-shift based assignments, quality = 0.81, support = 1.31, residual support = 16.3: * HG LEU 23 - HH2 TRP 51 10.000% * 28.8129% (0.95 1.45 31.30) = 28.813% kept HG12 ILE 101 - HH2 TRP 51 10.000% * 25.4283% (0.95 1.28 7.19) = 25.428% kept HB VAL 122 - HH2 TRP 51 10.000% * 23.0526% (0.94 1.17 12.43) = 23.053% kept HB3 PRO 52 - HH2 TRP 51 10.000% * 13.0753% (0.32 1.92 19.28) = 13.075% kept HG2 ARG+ 22 - HH2 TRP 51 10.000% * 6.4664% (0.50 0.62 0.02) = 6.466% kept HD3 LYS+ 32 - HH2 TRP 51 10.000% * 1.8463% (0.21 0.42 1.20) = 1.846% kept HG LEU 43 - HH2 TRP 51 10.000% * 0.3954% (0.94 0.02 0.02) = 0.395% HB ILE 68 - HH2 TRP 51 10.000% * 0.3954% (0.94 0.02 0.02) = 0.395% HG3 LYS+ 78 - HH2 TRP 51 10.000% * 0.3332% (0.79 0.02 0.02) = 0.333% HG2 LYS+ 110 - HH2 TRP 51 10.000% * 0.1942% (0.46 0.02 0.02) = 0.194% Peak 558 (1.00, 7.19, 125.29 ppm): 1 chemical-shift based assignment, quality = 0.877, support = 1.18, residual support = 5.88: T QG1 VAL 99 - HH2 TRP 51 100.000% *100.0000% (0.88 10.00 1.18 5.88) = 100.000% kept Peak 560 (7.11, 7.32, 133.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 561 (0.01, 7.34, 131.43 ppm): 1 chemical-shift based assignment, quality = 0.849, support = 4.4, residual support = 54.2: * T QG2 ILE 19 - QE PHE 34 100.000% *100.0000% (0.85 10.00 4.40 54.24) = 100.000% kept Peak 562 (-0.11, 7.34, 131.43 ppm): 1 chemical-shift based assignment, quality = 0.849, support = 5.0, residual support = 31.8: * T QD1 LEU 43 - QE PHE 34 100.000% *100.0000% (0.85 10.00 5.00 31.80) = 100.000% kept Peak 563 (0.01, 7.32, 133.42 ppm): 1 chemical-shift based assignment, quality = 0.867, support = 4.96, residual support = 54.2: * T QG2 ILE 19 - QD PHE 34 100.000% *100.0000% (0.87 10.00 4.96 54.24) = 100.000% kept Peak 564 (-0.12, 7.32, 133.42 ppm): 1 chemical-shift based assignment, quality = 0.411, support = 5.3, residual support = 31.8: * T QD1 LEU 43 - QD PHE 34 100.000% *100.0000% (0.41 10.00 5.30 31.80) = 100.000% kept Peak 565 (3.16, 7.34, 131.42 ppm): 3 chemical-shift based assignments, quality = 0.816, support = 2.64, residual support = 25.9: * T HB3 PHE 34 - QE PHE 34 33.333% * 57.9152% (0.92 10.00 2.71 41.03) = 57.915% kept T HD3 ARG+ 84 - QE PHE 34 33.333% * 42.0550% (0.67 10.00 2.55 5.06) = 42.055% kept HB3 HIS+ 98 - QE PHE 34 33.333% * 0.0298% (0.47 1.00 0.02 0.02) = 0.030% Peak 566 (2.61, 7.34, 131.42 ppm): 6 chemical-shift based assignments, quality = 0.868, support = 2.66, residual support = 36.2: * T HB2 PHE 34 - QE PHE 34 16.667% * 87.6551% (0.87 10.00 2.73 41.03) = 87.655% kept HE3 LYS+ 20 - QE PHE 34 16.667% * 10.8313% (0.92 1.00 2.34 2.39) = 10.831% kept HB3 PRO 35 - QE PHE 34 16.667% * 1.1112% (0.13 1.00 1.68 1.38) = 1.111% kept HG2 PRO 112 - QE PHE 34 16.667% * 0.2393% (0.14 1.00 0.34 0.02) = 0.239% HB2 ASP- 25 - QE PHE 34 16.667% * 0.0848% (0.85 1.00 0.02 0.02) = 0.085% HG2 MET 118 - QE PHE 34 16.667% * 0.0783% (0.78 1.00 0.02 0.02) = 0.078% Peak 567 (2.80, 7.34, 131.42 ppm): 6 chemical-shift based assignments, quality = 0.953, support = 2.55, residual support = 21.5: * T HE3 LYS+ 32 - QE PHE 34 16.667% * 98.5623% (0.97 10.00 2.59 21.84) = 98.562% kept T HE3 LYS+ 111 - QE PHE 34 16.667% * 0.8918% (0.87 10.00 0.02 0.02) = 0.892% HB3 ASN 119 - QE PHE 34 16.667% * 0.1942% (0.30 1.00 0.13 0.02) = 0.194% HB2 ASN 119 - QE PHE 34 16.667% * 0.1764% (0.44 1.00 0.08 0.02) = 0.176% HA2 GLY 58 - QE PHE 34 16.667% * 0.0992% (0.97 1.00 0.02 0.02) = 0.099% HB3 ASN 89 - QE PHE 34 16.667% * 0.0760% (0.75 1.00 0.02 0.02) = 0.076% Peak 569 (1.32, 7.35, 131.45 ppm): 4 chemical-shift based assignments, quality = 0.766, support = 1.47, residual support = 2.05: T QG2 THR 46 - QE PHE 34 25.000% * 87.8229% (0.76 10.00 1.41 2.07) = 87.823% kept HB2 ARG+ 22 - QE PHE 34 25.000% * 12.1047% (0.78 1.00 1.91 1.95) = 12.105% kept QB ALA 103 - QE PHE 34 25.000% * 0.0494% (0.30 1.00 0.02 0.02) = 0.049% HB2 LYS+ 55 - QE PHE 34 25.000% * 0.0230% (0.14 1.00 0.02 0.02) = 0.023% Peak 570 (1.32, 7.04, 130.39 ppm): 4 chemical-shift based assignments, quality = 0.929, support = 2.33, residual support = 6.58: * T QG2 THR 46 - QE PHE 21 25.000% * 86.1638% (0.93 10.00 2.20 4.41) = 86.164% kept HB2 ARG+ 22 - QE PHE 21 25.000% * 13.7861% (0.95 1.00 3.14 20.17) = 13.786% kept QB ALA 103 - QE PHE 21 25.000% * 0.0342% (0.37 1.00 0.02 0.02) = 0.034% HB2 LYS+ 55 - QE PHE 21 25.000% * 0.0160% (0.17 1.00 0.02 0.02) = 0.016% Peak 571 (1.63, 7.04, 130.39 ppm): 11 chemical-shift based assignments, quality = 0.771, support = 2.23, residual support = 15.0: HG2 ARG+ 22 - QE PHE 21 9.091% * 49.7077% (0.78 3.41 20.17) = 49.708% kept * HG LEU 43 - QE PHE 21 9.091% * 19.6222% (0.82 1.29 22.91) = 19.622% kept HB ILE 68 - QE PHE 21 9.091% * 15.5215% (0.82 1.02 0.94) = 15.522% kept HG LEU 23 - QE PHE 21 9.091% * 9.5856% (0.90 0.57 3.50) = 9.586% kept HB3 LYS+ 66 - QE PHE 21 9.091% * 4.2511% (0.15 1.51 0.02) = 4.251% kept HG12 ILE 101 - QE PHE 21 9.091% * 0.3158% (0.85 0.02 0.02) = 0.316% HB VAL 122 - QE PHE 21 9.091% * 0.3041% (0.82 0.02 0.02) = 0.304% HB3 PRO 52 - QE PHE 21 9.091% * 0.2939% (0.15 0.10 0.02) = 0.294% HG3 LYS+ 78 - QE PHE 21 9.091% * 0.2061% (0.55 0.02 0.02) = 0.206% HG3 ARG+ 84 - QE PHE 21 9.091% * 0.1012% (0.27 0.02 0.02) = 0.101% HG2 LYS+ 110 - QE PHE 21 9.091% * 0.0908% (0.24 0.02 0.02) = 0.091% Peak 572 (0.10, 7.04, 130.39 ppm): 1 chemical-shift based assignment, quality = 0.634, support = 1.77, residual support = 12.4: * T QG2 VAL 47 - QE PHE 21 100.000% *100.0000% (0.63 10.00 1.77 12.42) = 100.000% kept Peak 575 (0.01, 7.04, 130.39 ppm): 1 chemical-shift based assignment, quality = 0.749, support = 1.61, residual support = 10.0: * T QG2 ILE 19 - QE PHE 21 100.000% *100.0000% (0.75 10.00 1.61 10.00) = 100.000% kept Peak 576 (5.26, 6.88, 131.83 ppm): 1 chemical-shift based assignment, quality = 0.895, support = 3.29, residual support = 49.7: * HA PHE 21 - QD PHE 21 100.000% *100.0000% (0.90 3.29 49.74) = 100.000% kept Peak 577 (7.05, 7.34, 131.44 ppm): 2 chemical-shift based assignments, quality = 0.799, support = 1.03, residual support = 1.72: * T QE PHE 21 - QE PHE 34 50.000% * 90.3889% (0.78 10.00 1.04 1.86) = 90.389% kept QD TYR 83 - QE PHE 34 50.000% * 9.6111% (0.93 1.00 0.94 0.47) = 9.611% kept Peak 578 (-0.13, 7.04, 130.39 ppm): 1 chemical-shift based assignment, quality = 0.273, support = 3.67, residual support = 22.9: * T QD1 LEU 43 - QE PHE 21 100.000% *100.0000% (0.27 10.00 3.67 22.91) = 100.000% kept Peak 579 (0.83, 7.04, 130.39 ppm): 8 chemical-shift based assignments, quality = 0.569, support = 2.17, residual support = 10.7: * T QD2 LEU 67 - QE PHE 21 12.500% * 82.3200% (0.52 10.00 2.50 11.03) = 82.320% kept QD2 LEU 17 - QE PHE 21 12.500% * 6.5395% (0.88 1.00 0.93 0.84) = 6.540% kept QD1 ILE 29 - QE PHE 21 12.500% * 4.9401% (0.90 1.00 0.68 30.76) = 4.940% kept QG1 VAL 13 - QE PHE 21 12.500% * 2.6416% (0.90 1.00 0.37 0.02) = 2.642% kept QD2 LEU 90 - QE PHE 21 12.500% * 2.3554% (0.78 1.00 0.38 0.02) = 2.355% kept QG2 VAL 13 - QE PHE 21 12.500% * 0.9336% (0.44 1.00 0.27 0.02) = 0.934% QG1 VAL 94 - QE PHE 21 12.500% * 0.1561% (0.98 1.00 0.02 0.02) = 0.156% HG2 LYS+ 117 - QE PHE 21 12.500% * 0.1136% (0.71 1.00 0.02 0.02) = 0.114% Peak 580 (1.15, 7.04, 130.39 ppm): 7 chemical-shift based assignments, quality = 0.563, support = 1.3, residual support = 12.2: HB2 LEU 43 - QE PHE 21 14.286% * 53.1589% (0.33 2.11 22.91) = 53.159% kept QB ALA 33 - QE PHE 21 14.286% * 33.6870% (0.98 0.46 0.14) = 33.687% kept HG3 LYS+ 32 - QE PHE 21 14.286% * 6.7149% (0.67 0.13 0.02) = 6.715% kept QG2 THR 106 - QE PHE 21 14.286% * 4.4770% (0.24 0.24 0.02) = 4.477% kept HD3 LYS+ 111 - QE PHE 21 14.286% * 0.8351% (0.55 0.02 0.02) = 0.835% HG3 PRO 59 - QE PHE 21 14.286% * 0.8351% (0.55 0.02 0.02) = 0.835% QG2 THR 61 - QE PHE 21 14.286% * 0.2919% (0.19 0.02 0.02) = 0.292% Peak 581 (0.91, 6.88, 131.84 ppm): 13 chemical-shift based assignments, quality = 0.62, support = 1.88, residual support = 6.34: * QD1 LEU 67 - QD PHE 21 7.692% * 32.9578% (0.76 2.74 11.03) = 32.958% kept QG1 VAL 47 - QD PHE 21 7.692% * 17.9651% (0.69 1.66 12.42) = 17.965% kept HG12 ILE 68 - QD PHE 21 7.692% * 17.1350% (0.73 1.50 0.94) = 17.135% kept QG2 VAL 105 - QD PHE 21 7.692% * 10.2614% (0.45 1.45 1.18) = 10.261% kept QG1 VAL 105 - QD PHE 21 7.692% * 9.5283% (0.38 1.61 1.18) = 9.528% kept QD1 LEU 17 - QD PHE 21 7.692% * 7.8764% (0.41 1.22 0.84) = 7.876% kept QG2 VAL 62 - QD PHE 21 7.692% * 2.0086% (0.14 0.94 0.42) = 2.009% kept QG1 VAL 80 - QD PHE 21 7.692% * 1.0875% (0.28 0.25 0.02) = 1.088% kept QG2 VAL 80 - QD PHE 21 7.692% * 0.2825% (0.90 0.02 0.02) = 0.282% HG3 LYS+ 117 - QD PHE 21 7.692% * 0.2631% (0.84 0.02 0.02) = 0.263% HG3 LYS+ 110 - QD PHE 21 7.692% * 0.2522% (0.80 0.02 0.02) = 0.252% QG2 VAL 87 - QD PHE 21 7.692% * 0.1910% (0.61 0.02 0.02) = 0.191% QG2 VAL 40 - QD PHE 21 7.692% * 0.1910% (0.61 0.02 0.02) = 0.191% Peak 582 (-0.12, 6.85, 129.44 ppm): 1 chemical-shift based assignment, quality = 0.403, support = 2.63, residual support = 22.9: * T QD1 LEU 43 - HZ PHE 21 100.000% *100.0000% (0.40 10.00 2.63 22.91) = 100.000% kept Peak 583 (0.12, 6.88, 131.84 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.75, residual support = 12.4: * T QG2 VAL 47 - QD PHE 21 100.000% *100.0000% (1.00 10.00 2.75 12.42) = 100.000% kept Peak 584 (0.01, 6.88, 131.84 ppm): 1 chemical-shift based assignment, quality = 0.867, support = 2.86, residual support = 10.0: * T QG2 ILE 19 - QD PHE 21 100.000% *100.0000% (0.87 10.00 2.86 10.00) = 100.000% kept Peak 585 (0.81, 6.88, 131.84 ppm): 8 chemical-shift based assignments, quality = 0.788, support = 2.2, residual support = 15.0: * T QD2 LEU 67 - QD PHE 21 12.500% * 63.7999% (0.97 10.00 2.65 11.03) = 63.800% kept T QD1 ILE 29 - QD PHE 21 12.500% * 25.6344% (0.45 10.00 1.73 30.76) = 25.634% kept T QG1 VAL 13 - QD PHE 21 12.500% * 5.5626% (0.45 10.00 0.38 0.02) = 5.563% kept QD2 LEU 17 - QD PHE 21 12.500% * 3.4614% (0.92 1.00 1.13 0.84) = 3.461% kept QG1 VAL 94 - QD PHE 21 12.500% * 0.8106% (0.73 1.00 0.34 0.02) = 0.811% QD2 LEU 90 - QD PHE 21 12.500% * 0.6825% (0.98 1.00 0.21 0.02) = 0.683% QD1 ILE 100 - QD PHE 21 12.500% * 0.0322% (0.49 1.00 0.02 0.02) = 0.032% HG2 LYS+ 117 - QD PHE 21 12.500% * 0.0165% (0.25 1.00 0.02 0.02) = 0.016% Peak 586 (7.20, 6.72, 122.11 ppm): 2 chemical-shift based assignments, quality = 0.465, support = 2.52, residual support = 97.8: * O HH2 TRP 51 - HZ3 TRP 51 50.000% * 86.5554% (0.48 10.0 2.29 97.75) = 86.555% kept HN TRP 51 - HZ3 TRP 51 50.000% * 13.4446% (0.37 1.0 4.06 97.75) = 13.445% kept Peak 587 (7.34, 6.72, 122.11 ppm): 7 chemical-shift based assignments, quality = 0.458, support = 1.85, residual support = 95.6: * O HZ2 TRP 51 - HZ3 TRP 51 14.286% * 97.7422% (0.46 10.0 1.88 97.75) = 97.742% kept HN VAL 47 - HZ3 TRP 51 14.286% * 1.9214% (0.23 1.0 0.73 4.00) = 1.921% kept QE PHE 34 - HZ3 TRP 51 14.286% * 0.1041% (0.46 1.0 0.02 0.02) = 0.104% HZ PHE 34 - HZ3 TRP 51 14.286% * 0.1041% (0.46 1.0 0.02 0.02) = 0.104% QD PHE 34 - HZ3 TRP 51 14.286% * 0.0610% (0.27 1.0 0.02 0.02) = 0.061% HN ARG+ 84 - HZ3 TRP 51 14.286% * 0.0483% (0.22 1.0 0.02 1.28) = 0.048% HE22 GLN 102 - HZ3 TRP 51 14.286% * 0.0189% (0.08 1.0 0.02 0.02) = 0.019% Peak 588 (7.51, 6.72, 122.11 ppm): 2 chemical-shift based assignments, quality = 0.253, support = 2.88, residual support = 97.6: * O HE3 TRP 51 - HZ3 TRP 51 50.000% * 99.8848% (0.25 10.0 2.88 97.75) = 99.885% kept HN ASP- 82 - HZ3 TRP 51 50.000% * 0.1152% (0.29 1.0 0.02 0.02) = 0.115% Peak 589 (1.00, 6.72, 122.11 ppm): 1 chemical-shift based assignment, quality = 0.444, support = 1.15, residual support = 5.88: * T QG1 VAL 99 - HZ3 TRP 51 100.000% *100.0000% (0.44 10.00 1.15 5.88) = 100.000% kept Peak 590 (0.89, 6.72, 122.11 ppm): 9 chemical-shift based assignments, quality = 0.37, support = 0.79, residual support = 1.57: * QG1 VAL 47 - HZ3 TRP 51 11.111% * 32.3630% (0.35 1.39 4.00) = 32.363% kept QG2 VAL 40 - HZ3 TRP 51 11.111% * 16.4880% (0.38 0.64 0.80) = 16.488% kept QG1 VAL 80 - HZ3 TRP 51 11.111% * 16.2266% (0.48 0.51 0.28) = 16.227% kept QG2 VAL 87 - HZ3 TRP 51 11.111% * 11.9187% (0.38 0.47 0.14) = 11.919% kept QG2 VAL 125 - HZ3 TRP 51 11.111% * 9.7545% (0.42 0.35 0.02) = 9.754% kept QD1 LEU 67 - HZ3 TRP 51 11.111% * 7.0078% (0.31 0.34 0.02) = 7.008% kept QG2 ILE 100 - HZ3 TRP 51 11.111% * 5.7196% (0.13 0.64 1.36) = 5.720% kept HG3 LYS+ 117 - HZ3 TRP 51 11.111% * 0.3622% (0.27 0.02 0.02) = 0.362% QD1 LEU 90 - HZ3 TRP 51 11.111% * 0.1595% (0.12 0.02 0.02) = 0.160% Peak 591 (0.59, 6.72, 122.11 ppm): 3 chemical-shift based assignments, quality = 0.424, support = 3.42, residual support = 29.4: * T QD1 LEU 23 - HZ3 TRP 51 33.333% * 90.0476% (0.43 10.00 3.53 31.30) = 90.048% kept QG2 VAL 122 - HZ3 TRP 51 33.333% * 9.6815% (0.37 1.00 2.52 12.43) = 9.681% kept QG2 ILE 48 - HZ3 TRP 51 33.333% * 0.2710% (0.11 1.00 0.24 0.02) = 0.271% Peak 592 (1.00, 7.19, 125.29 ppm): 1 chemical-shift based assignment, quality = 0.917, support = 1.18, residual support = 5.88: * T QG1 VAL 99 - HH2 TRP 51 100.000% *100.0000% (0.92 10.00 1.18 5.88) = 100.000% kept Peak 593 (0.29, 7.19, 125.29 ppm): 2 chemical-shift based assignments, quality = 0.948, support = 3.7, residual support = 21.9: T QG1 VAL 122 - HH2 TRP 51 50.000% * 50.0000% (0.95 10.00 3.46 12.43) = 50.000% kept * T QD2 LEU 23 - HH2 TRP 51 50.000% * 50.0000% (0.95 10.00 3.94 31.30) = 50.000% kept Peak 594 (0.55, 6.72, 122.11 ppm): 2 chemical-shift based assignments, quality = 0.464, support = 1.37, residual support = 7.35: * T QD1 ILE 101 - HZ3 TRP 51 50.000% * 96.7692% (0.48 10.00 1.34 7.19) = 96.769% kept QG2 VAL 122 - HZ3 TRP 51 50.000% * 3.2308% (0.08 1.00 2.52 12.43) = 3.231% kept Peak 595 (7.60, 6.73, 118.64 ppm): 4 chemical-shift based assignments, quality = 0.667, support = 0.589, residual support = 1.43: HN LYS+ 78 - QE TYR 83 25.000% * 54.8867% (0.58 0.75 2.49) = 54.887% kept HN ASP- 25 - QE TYR 83 25.000% * 42.2771% (0.80 0.42 0.16) = 42.277% kept HD21 ASN 15 - QE TYR 83 25.000% * 1.8442% (0.73 0.02 0.02) = 1.844% kept HD21 ASN 57 - QE TYR 83 25.000% * 0.9921% (0.39 0.02 0.02) = 0.992% Peaks: selected : 221 with diagonal assignment : 14 without assignment possibility : 109 with one assignment possibility : 20 with multiple assignment possibilities : 78 with given assignment possibilities : 0 with unique volume contribution : 36 with multiple volume contributions : 62 eliminated by violation filter : 0 Peaks: selected : 221 without assignment : 113 with assignment : 108 with unique assignment : 49 with multiple assignment : 59 with reference assignment : 101 with identical reference assignment : 48 with compatible reference assignment : 50 with incompatible reference assignment : 3 with additional reference assignment : 0 with additional assignment : 7 Atoms with eliminated volume contribution > 2.5: Peak 1 (4.09, 9.49, 134.56 ppm): 8 chemical-shift based assignments, quality = 0.563, support = 1.99, residual support = 13.7: * O HA ALA 70 - HN ALA 70 12.500% * 99.4472% (0.57 10.0 2.00 13.82) = 99.447% kept HA THR 24 - HN ALA 70 12.500% * 0.1621% (0.92 1.0 0.02 0.02) = 0.162% HB3 SER 49 - HN ALA 70 12.500% * 0.1152% (0.66 1.0 0.02 0.02) = 0.115% HA LYS+ 63 - HN ALA 70 12.500% * 0.1065% (0.61 1.0 0.02 0.02) = 0.107% HB2 SER 49 - HN ALA 70 12.500% * 0.0542% (0.31 1.0 0.02 0.02) = 0.054% HA THR 46 - HN ALA 70 12.500% * 0.0438% (0.25 1.0 0.02 0.02) = 0.044% HA VAL 125 - HN ALA 70 12.500% * 0.0438% (0.25 1.0 0.02 0.02) = 0.044% HB THR 38 - HN ALA 70 12.500% * 0.0271% (0.15 1.0 0.02 0.02) = 0.027% Peak 2 (9.49, 9.49, 134.56 ppm): 1 diagonal assignment: * HN ALA 70 - HN ALA 70 (0.98) kept Peak 5 (4.94, 9.50, 134.56 ppm): 4 chemical-shift based assignments, quality = 0.877, support = 0.167, residual support = 0.02: HA HIS+ 98 - HN ALA 70 25.000% * 80.8885% (0.88 0.20 0.02) = 80.889% kept HA ILE 101 - HN ALA 70 25.000% * 8.8961% (0.98 0.02 0.02) = 8.896% kept HA ALA 33 - HN ALA 70 25.000% * 8.2304% (0.90 0.02 0.02) = 8.230% kept HA MET 97 - HN ALA 70 25.000% * 1.9850% (0.22 0.02 0.02) = 1.985% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 6 (9.24, 9.25, 131.84 ppm): 1 diagonal assignment: * HN ILE 100 - HN ILE 100 (0.83) kept Peak 7 (4.68, 9.25, 131.84 ppm): 8 chemical-shift based assignments, quality = 0.37, support = 2.22, residual support = 13.6: * O HA VAL 99 - HN ILE 100 12.500% * 99.0982% (0.37 10.0 2.24 13.75) = 99.098% kept HA ASN 89 - HN ILE 100 12.500% * 0.2498% (0.94 1.0 0.02 0.02) = 0.250% HA TYR 83 - HN ILE 100 12.500% * 0.2018% (0.76 1.0 0.02 0.02) = 0.202% HA PRO 35 - HN ILE 100 12.500% * 0.1389% (0.52 1.0 0.02 0.02) = 0.139% HA GLN 16 - HN ILE 100 12.500% * 0.1389% (0.52 1.0 0.02 0.02) = 0.139% HA LYS+ 120 - HN ILE 100 12.500% * 0.0658% (0.25 1.0 0.02 0.02) = 0.066% HA THR 61 - HN ILE 100 12.500% * 0.0658% (0.25 1.0 0.02 0.02) = 0.066% HA THR 39 - HN ILE 100 12.500% * 0.0407% (0.15 1.0 0.02 0.02) = 0.041% Peak 8 (0.90, 9.25, 131.84 ppm): 10 chemical-shift based assignments, quality = 0.859, support = 1.87, residual support = 6.68: QD1 LEU 67 - HN ILE 100 10.000% * 76.5923% (1.00 2.31 8.63) = 76.592% kept HG12 ILE 68 - HN ILE 100 10.000% * 7.5065% (0.31 0.73 0.93) = 7.507% kept QG2 VAL 80 - HN ILE 100 10.000% * 6.9309% (0.48 0.43 0.02) = 6.931% kept QG1 VAL 80 - HN ILE 100 10.000% * 5.8957% (0.68 0.26 0.02) = 5.896% kept HG3 LYS+ 117 - HN ILE 100 10.000% * 0.6584% (0.99 0.02 0.02) = 0.658% QG1 VAL 47 - HN ILE 100 10.000% * 0.6584% (0.99 0.02 0.02) = 0.658% QG2 VAL 87 - HN ILE 100 10.000% * 0.6410% (0.96 0.02 0.35) = 0.641% QG2 VAL 40 - HN ILE 100 10.000% * 0.6410% (0.96 0.02 0.02) = 0.641% HG3 LYS+ 110 - HN ILE 100 10.000% * 0.2493% (0.37 0.02 0.02) = 0.249% QG2 VAL 125 - HN ILE 100 10.000% * 0.2266% (0.34 0.02 0.02) = 0.227% Peak 9 (1.64, 9.25, 131.84 ppm): 12 chemical-shift based assignments, quality = 0.395, support = 3.46, residual support = 45.1: * O HB ILE 100 - HN ILE 100 8.333% * 58.7225% (0.25 10.0 4.21 68.06) = 58.722% kept HG12 ILE 101 - HN ILE 100 8.333% * 24.7875% (0.68 1.0 3.06 19.24) = 24.788% kept HB ILE 68 - HN ILE 100 8.333% * 9.9604% (0.64 1.0 1.31 0.93) = 9.960% kept HB3 LYS+ 66 - HN ILE 100 8.333% * 5.5551% (0.28 1.0 1.70 4.12) = 5.555% kept HG2 ARG+ 22 - HN ILE 100 8.333% * 0.2228% (0.94 1.0 0.02 0.13) = 0.223% HG LEU 23 - HN ILE 100 8.333% * 0.1800% (0.76 1.0 0.02 3.44) = 0.180% HG LEU 43 - HN ILE 100 8.333% * 0.1523% (0.64 1.0 0.02 0.02) = 0.152% HB VAL 122 - HN ILE 100 8.333% * 0.1523% (0.64 1.0 0.02 0.02) = 0.152% HG3 ARG+ 84 - HN ILE 100 8.333% * 0.1056% (0.45 1.0 0.02 0.02) = 0.106% HG3 LYS+ 78 - HN ILE 100 8.333% * 0.0884% (0.37 1.0 0.02 0.02) = 0.088% HB3 MET 97 - HN ILE 100 8.333% * 0.0412% (0.17 1.0 0.02 0.02) = 0.041% HG2 LYS+ 110 - HN ILE 100 8.333% * 0.0319% (0.13 1.0 0.02 0.02) = 0.032% Peak 10 (1.02, 9.25, 131.84 ppm): 2 chemical-shift based assignments, quality = 0.719, support = 3.11, residual support = 13.7: * QG1 VAL 99 - HN ILE 100 50.000% * 99.5040% (0.72 3.13 13.75) = 99.504% kept HG3 LYS+ 20 - HN ILE 100 50.000% * 0.4960% (0.56 0.02 0.02) = 0.496% Peak 11 (9.07, 9.25, 131.84 ppm): 2 chemical-shift based assignments, quality = 0.914, support = 1.67, residual support = 4.1: * T HN LYS+ 66 - HN ILE 100 50.000% * 99.4990% (0.92 10.00 1.68 4.12) = 99.499% kept HN GLU- 54 - HN ILE 100 50.000% * 0.5010% (0.98 1.00 0.08 0.02) = 0.501% Peak 12 (4.46, 9.25, 131.84 ppm): 8 chemical-shift based assignments, quality = 0.859, support = 4.8, residual support = 67.7: * O HA ILE 100 - HN ILE 100 12.500% * 99.5389% (0.86 10.0 4.82 68.06) = 99.539% kept HA GLU- 50 - HN ILE 100 12.500% * 0.1059% (0.92 1.0 0.02 1.00) = 0.106% HA GLN 102 - HN ILE 100 12.500% * 0.0995% (0.86 1.0 0.02 0.14) = 0.100% HA MET 118 - HN ILE 100 12.500% * 0.0877% (0.76 1.0 0.02 0.02) = 0.088% HA MET 126 - HN ILE 100 12.500% * 0.0788% (0.68 1.0 0.02 0.02) = 0.079% HA LYS+ 32 - HN ILE 100 12.500% * 0.0559% (0.48 1.0 0.02 0.02) = 0.056% HB THR 24 - HN ILE 100 12.500% * 0.0177% (0.15 1.0 0.02 0.02) = 0.018% HA LYS+ 111 - HN ILE 100 12.500% * 0.0155% (0.13 1.0 0.02 0.02) = 0.016% Peak 13 (0.77, 9.25, 131.84 ppm): 4 chemical-shift based assignments, quality = 0.2, support = 3.22, residual support = 41.3: * QD1 ILE 100 - HN ILE 100 25.000% * 59.0000% (0.20 4.27 68.06) = 59.000% kept HG3 LYS+ 66 - HN ILE 100 25.000% * 27.2035% (0.17 2.22 4.12) = 27.203% kept QG2 ILE 48 - HN ILE 100 25.000% * 13.5519% (0.27 0.72 0.35) = 13.552% kept HG3 LYS+ 44 - HN ILE 100 25.000% * 0.2447% (0.17 0.02 0.02) = 0.245% Peak 14 (9.28, 9.28, 130.07 ppm): 1 diagonal assignment: * HN LEU 23 - HN LEU 23 (0.84) kept Peak 15 (5.18, 9.28, 130.07 ppm): 1 chemical-shift based assignment, quality = 0.683, support = 6.6, residual support = 40.4: * O HA ARG+ 22 - HN LEU 23 100.000% *100.0000% (0.68 10.0 6.60 40.42) = 100.000% kept Peak 16 (1.62, 9.28, 130.07 ppm): 10 chemical-shift based assignments, quality = 0.781, support = 5.28, residual support = 78.9: * HG LEU 23 - HN LEU 23 10.000% * 57.1055% (0.92 6.18 120.20) = 57.106% kept HG2 ARG+ 22 - HN LEU 23 10.000% * 25.3191% (0.39 6.43 40.42) = 25.319% kept HG12 ILE 101 - HN LEU 23 10.000% * 9.6855% (0.95 1.02 0.50) = 9.686% kept HB ILE 68 - HN LEU 23 10.000% * 3.2624% (0.95 0.34 0.02) = 3.262% kept HB VAL 122 - HN LEU 23 10.000% * 2.7811% (0.95 0.29 0.02) = 2.781% kept HB3 PRO 52 - HN LEU 23 10.000% * 1.3030% (0.43 0.30 1.68) = 1.303% kept HG LEU 43 - HN LEU 23 10.000% * 0.1911% (0.95 0.02 0.02) = 0.191% HG3 LYS+ 78 - HN LEU 23 10.000% * 0.1768% (0.88 0.02 0.02) = 0.177% HG2 LYS+ 110 - HN LEU 23 10.000% * 0.1162% (0.58 0.02 0.02) = 0.116% HD3 LYS+ 32 - HN LEU 23 10.000% * 0.0591% (0.30 0.02 0.02) = 0.059% Peak 17 (1.92, 9.28, 130.07 ppm): 15 chemical-shift based assignments, quality = 0.925, support = 6.37, residual support = 110.5: * O HB2 LEU 23 - HN LEU 23 6.667% * 90.9929% (0.94 10.0 6.84 120.20) = 90.993% kept HB ILE 29 - HN LEU 23 6.667% * 7.7281% (0.89 1.0 1.80 14.52) = 7.728% kept HB3 ARG+ 53 - HN LEU 23 6.667% * 0.7941% (0.42 1.0 0.39 0.20) = 0.794% HD3 LYS+ 63 - HN LEU 23 6.667% * 0.0816% (0.84 1.0 0.02 0.02) = 0.082% HB2 PRO 112 - HN LEU 23 6.667% * 0.0694% (0.72 1.0 0.02 0.02) = 0.069% HB3 GLN 102 - HN LEU 23 6.667% * 0.0661% (0.68 1.0 0.02 0.96) = 0.066% HB2 PRO 116 - HN LEU 23 6.667% * 0.0589% (0.61 1.0 0.02 0.02) = 0.059% HB2 GLU- 10 - HN LEU 23 6.667% * 0.0589% (0.61 1.0 0.02 0.02) = 0.059% HB2 GLU- 75 - HN LEU 23 6.667% * 0.0310% (0.32 1.0 0.02 0.02) = 0.031% HG2 PRO 112 - HN LEU 23 6.667% * 0.0290% (0.30 1.0 0.02 0.02) = 0.029% HB3 CYS 123 - HN LEU 23 6.667% * 0.0281% (0.29 1.0 0.02 0.02) = 0.028% HB3 LYS+ 55 - HN LEU 23 6.667% * 0.0180% (0.19 1.0 0.02 0.02) = 0.018% HG3 PRO 31 - HN LEU 23 6.667% * 0.0159% (0.16 1.0 0.02 0.02) = 0.016% HB3 GLN 16 - HN LEU 23 6.667% * 0.0140% (0.15 1.0 0.02 0.02) = 0.014% HG2 GLU- 18 - HN LEU 23 6.667% * 0.0140% (0.15 1.0 0.02 0.02) = 0.014% Peak 18 (0.27, 9.28, 130.07 ppm): 2 chemical-shift based assignments, quality = 0.319, support = 6.04, residual support = 116.4: * QD2 LEU 23 - HN LEU 23 50.000% * 96.8167% (0.32 6.23 120.20) = 96.817% kept QG1 VAL 122 - HN LEU 23 50.000% * 3.1833% (0.26 0.25 0.02) = 3.183% kept Peak 19 (3.28, 9.29, 130.07 ppm): 4 chemical-shift based assignments, quality = 0.914, support = 5.57, residual support = 39.4: HD3 ARG+ 22 - HN LEU 23 25.000% * 97.3081% (0.92 5.73 40.42) = 97.308% kept HD2 PRO 52 - HN LEU 23 25.000% * 1.9660% (0.87 0.12 1.68) = 1.966% kept HE3 LYS+ 63 - HN LEU 23 25.000% * 0.3649% (0.99 0.02 0.02) = 0.365% HD3 ARG+ 53 - HN LEU 23 25.000% * 0.3609% (0.98 0.02 0.20) = 0.361% Peak 20 (1.43, 9.28, 130.07 ppm): 14 chemical-shift based assignments, quality = 0.852, support = 5.3, residual support = 35.3: * HG3 ARG+ 22 - HN LEU 23 7.143% * 86.6751% (0.95 5.96 40.42) = 86.675% kept HG13 ILE 100 - HN LEU 23 7.143% * 6.7073% (0.27 1.64 3.44) = 6.707% kept HG LEU 67 - HN LEU 23 7.143% * 2.4622% (0.30 0.54 0.02) = 2.462% kept QB ALA 93 - HN LEU 23 7.143% * 1.9413% (0.27 0.48 0.02) = 1.941% kept HD3 LYS+ 113 - HN LEU 23 7.143% * 0.2930% (0.95 0.02 0.80) = 0.293% QG2 THR 38 - HN LEU 23 7.143% * 0.2911% (0.95 0.02 0.02) = 0.291% HG3 LYS+ 55 - HN LEU 23 7.143% * 0.2911% (0.95 0.02 0.02) = 0.291% QB ALA 91 - HN LEU 23 7.143% * 0.2834% (0.92 0.02 0.02) = 0.283% HG3 LYS+ 113 - HN LEU 23 7.143% * 0.2834% (0.92 0.02 0.80) = 0.283% HD3 LYS+ 44 - HN LEU 23 7.143% * 0.2634% (0.86 0.02 0.02) = 0.263% HG LEU 90 - HN LEU 23 7.143% * 0.2351% (0.77 0.02 0.15) = 0.235% QB ALA 37 - HN LEU 23 7.143% * 0.1429% (0.47 0.02 0.02) = 0.143% HG2 PRO 59 - HN LEU 23 7.143% * 0.0654% (0.21 0.02 0.02) = 0.065% HG3 LYS+ 60 - HN LEU 23 7.143% * 0.0654% (0.21 0.02 0.02) = 0.065% Peak 21 (1.74, 9.28, 130.07 ppm): 7 chemical-shift based assignments, quality = 0.932, support = 6.15, residual support = 116.6: * O HB3 LEU 23 - HN LEU 23 14.286% * 97.0335% (0.94 10.0 6.32 120.20) = 97.033% kept HB2 LEU 17 - HN LEU 23 14.286% * 2.6756% (0.79 1.0 0.66 0.13) = 2.676% kept HB2 LYS+ 117 - HN LEU 23 14.286% * 0.0964% (0.93 1.0 0.02 0.02) = 0.096% HB ILE 48 - HN LEU 23 14.286% * 0.0953% (0.92 1.0 0.02 0.33) = 0.095% HD3 PRO 59 - HN LEU 23 14.286% * 0.0668% (0.65 1.0 0.02 0.02) = 0.067% HB2 GLN 16 - HN LEU 23 14.286% * 0.0192% (0.19 1.0 0.02 0.02) = 0.019% HB3 GLU- 18 - HN LEU 23 14.286% * 0.0132% (0.13 1.0 0.02 0.02) = 0.013% Peak 22 (9.07, 9.08, 129.85 ppm): 1 diagonal assignment: * HN LYS+ 66 - HN LYS+ 66 (0.92) kept Peak 23 (4.18, 9.08, 129.85 ppm): 7 chemical-shift based assignments, quality = 0.995, support = 3.3, residual support = 12.8: * O HA VAL 65 - HN LYS+ 66 14.286% * 99.6734% (1.00 10.0 3.31 12.79) = 99.673% kept HA VAL 73 - HN LYS+ 66 14.286% * 0.0988% (0.99 1.0 0.02 0.02) = 0.099% HB3 SER 49 - HN LYS+ 66 14.286% * 0.0884% (0.89 1.0 0.02 0.02) = 0.088% HA VAL 105 - HN LYS+ 66 14.286% * 0.0485% (0.49 1.0 0.02 0.02) = 0.049% HB THR 106 - HN LYS+ 66 14.286% * 0.0485% (0.49 1.0 0.02 0.02) = 0.049% HA ASP- 82 - HN LYS+ 66 14.286% * 0.0249% (0.25 1.0 0.02 0.02) = 0.025% HA VAL 87 - HN LYS+ 66 14.286% * 0.0175% (0.17 1.0 0.02 0.02) = 0.017% Peak 24 (0.72, 9.08, 129.85 ppm): 10 chemical-shift based assignments, quality = 0.644, support = 3.11, residual support = 14.7: QG2 VAL 65 - HN LYS+ 66 10.000% * 32.8306% (0.80 3.72 12.79) = 32.831% kept * HG3 LYS+ 66 - HN LYS+ 66 10.000% * 23.4153% (0.53 4.04 30.57) = 23.415% kept QG2 ILE 101 - HN LYS+ 66 10.000% * 16.9678% (0.71 2.16 9.41) = 16.968% kept QG1 VAL 65 - HN LYS+ 66 10.000% * 13.3685% (0.34 3.56 12.79) = 13.369% kept QD1 ILE 68 - HN LYS+ 66 10.000% * 8.4967% (0.87 0.89 0.02) = 8.497% kept HG3 LYS+ 44 - HN LYS+ 66 10.000% * 3.4296% (0.53 0.59 0.24) = 3.430% kept QG2 ILE 48 - HN LYS+ 66 10.000% * 0.9654% (0.75 0.12 0.02) = 0.965% HG LEU 74 - HN LYS+ 66 10.000% * 0.2126% (0.96 0.02 0.11) = 0.213% QG1 VAL 40 - HN LYS+ 66 10.000% * 0.1976% (0.90 0.02 0.02) = 0.198% QG2 THR 96 - HN LYS+ 66 10.000% * 0.1159% (0.53 0.02 0.02) = 0.116% Peak 25 (1.65, 9.08, 129.85 ppm): 13 chemical-shift based assignments, quality = 0.513, support = 3.94, residual support = 25.3: * O HB3 LYS+ 66 - HN LYS+ 66 7.692% * 79.3968% (0.53 10.0 4.37 30.57) = 79.397% kept HB ILE 100 - HN LYS+ 66 7.692% * 10.9923% (0.49 1.0 2.99 4.12) = 10.992% kept HG12 ILE 101 - HN LYS+ 66 7.692% * 6.5221% (0.41 1.0 2.10 9.41) = 6.522% kept HG2 ARG+ 22 - HN LYS+ 66 7.692% * 1.5612% (0.99 1.0 0.21 0.02) = 1.561% kept HB ILE 68 - HN LYS+ 66 7.692% * 0.6394% (0.37 1.0 0.23 0.02) = 0.639% HG3 ARG+ 84 - HN LYS+ 66 7.692% * 0.5418% (0.73 1.0 0.10 0.02) = 0.542% HG LEU 23 - HN LYS+ 66 7.692% * 0.0735% (0.49 1.0 0.02 0.02) = 0.073% HB3 MET 97 - HN LYS+ 66 7.692% * 0.0566% (0.37 1.0 0.02 0.02) = 0.057% HB VAL 122 - HN LYS+ 66 7.692% * 0.0566% (0.37 1.0 0.02 0.02) = 0.057% HG LEU 43 - HN LYS+ 66 7.692% * 0.0566% (0.37 1.0 0.02 0.02) = 0.057% HB3 MET 126 - HN LYS+ 66 7.692% * 0.0466% (0.31 1.0 0.02 0.02) = 0.047% HB3 LYS+ 81 - HN LYS+ 66 7.692% * 0.0299% (0.20 1.0 0.02 0.02) = 0.030% HG3 LYS+ 78 - HN LYS+ 66 7.692% * 0.0264% (0.17 1.0 0.02 0.02) = 0.026% Peak 26 (1.84, 9.08, 129.85 ppm): 12 chemical-shift based assignments, quality = 0.986, support = 3.1, residual support = 30.0: * O HB2 LYS+ 66 - HN LYS+ 66 8.333% * 98.0297% (1.00 10.0 3.15 30.57) = 98.030% kept HD2 PRO 59 - HN LYS+ 66 8.333% * 1.4785% (0.49 1.0 0.62 0.28) = 1.478% kept HB3 LYS+ 60 - HN LYS+ 66 8.333% * 0.0819% (0.83 1.0 0.02 0.02) = 0.082% HB2 PRO 59 - HN LYS+ 66 8.333% * 0.0819% (0.83 1.0 0.02 0.28) = 0.082% HB3 LYS+ 72 - HN LYS+ 66 8.333% * 0.0785% (0.80 1.0 0.02 0.02) = 0.078% HB2 PRO 104 - HN LYS+ 66 8.333% * 0.0749% (0.76 1.0 0.02 0.02) = 0.075% HB VAL 94 - HN LYS+ 66 8.333% * 0.0516% (0.53 1.0 0.02 0.02) = 0.052% HD3 LYS+ 117 - HN LYS+ 66 8.333% * 0.0368% (0.37 1.0 0.02 0.02) = 0.037% HG3 LYS+ 108 - HN LYS+ 66 8.333% * 0.0334% (0.34 1.0 0.02 0.02) = 0.033% HD3 LYS+ 72 - HN LYS+ 66 8.333% * 0.0218% (0.22 1.0 0.02 0.02) = 0.022% HG2 PRO 112 - HN LYS+ 66 8.333% * 0.0158% (0.16 1.0 0.02 0.02) = 0.016% HB2 GLU- 109 - HN LYS+ 66 8.333% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% Peak 27 (4.42, 9.08, 129.85 ppm): 11 chemical-shift based assignments, quality = 0.94, support = 3.54, residual support = 30.4: * O HA LYS+ 66 - HN LYS+ 66 9.091% * 99.4850% (0.94 10.0 3.56 30.57) = 99.485% kept HA LYS+ 111 - HN LYS+ 66 9.091% * 0.0912% (0.87 1.0 0.02 0.02) = 0.091% HB THR 24 - HN LYS+ 66 9.091% * 0.0878% (0.83 1.0 0.02 0.02) = 0.088% HA HIS+ 14 - HN LYS+ 66 9.091% * 0.0804% (0.76 1.0 0.02 0.02) = 0.080% HA PRO 86 - HN LYS+ 66 9.091% * 0.0638% (0.61 1.0 0.02 0.02) = 0.064% HA PRO 116 - HN LYS+ 66 9.091% * 0.0553% (0.53 1.0 0.02 0.02) = 0.055% HA PRO 112 - HN LYS+ 66 9.091% * 0.0472% (0.45 1.0 0.02 0.02) = 0.047% HA PRO 104 - HN LYS+ 66 9.091% * 0.0292% (0.28 1.0 0.02 0.02) = 0.029% HA MET 118 - HN LYS+ 66 9.091% * 0.0208% (0.20 1.0 0.02 0.02) = 0.021% HA THR 95 - HN LYS+ 66 9.091% * 0.0208% (0.20 1.0 0.02 0.90) = 0.021% HA ASN 57 - HN LYS+ 66 9.091% * 0.0184% (0.17 1.0 0.02 0.02) = 0.018% Peak 28 (0.54, 9.08, 129.85 ppm): 1 chemical-shift based assignment, quality = 0.448, support = 3.89, residual support = 9.41: QD1 ILE 101 - HN LYS+ 66 100.000% *100.0000% (0.45 3.89 9.41) = 100.000% kept Peak 29 (9.24, 9.08, 129.85 ppm): 1 chemical-shift based assignment, quality = 0.922, support = 1.68, residual support = 4.12: * T HN ILE 100 - HN LYS+ 66 100.000% *100.0000% (0.92 10.00 1.68 4.12) = 100.000% kept Peak 30 (4.17, 8.45, 129.16 ppm): 7 chemical-shift based assignments, quality = 0.768, support = 3.52, residual support = 9.67: * O HA VAL 73 - HN LEU 74 14.286% * 96.1389% (0.76 10.0 3.65 10.05) = 96.139% kept HB THR 106 - HN LEU 74 14.286% * 1.7733% (0.95 1.0 0.30 0.02) = 1.773% kept HA VAL 105 - HN LEU 74 14.286% * 1.7733% (0.95 1.0 0.30 0.02) = 1.773% kept HB3 SER 49 - HN LEU 74 14.286% * 0.1204% (0.96 1.0 0.02 0.71) = 0.120% HA VAL 65 - HN LEU 74 14.286% * 0.0864% (0.69 1.0 0.02 0.02) = 0.086% HA VAL 87 - HN LEU 74 14.286% * 0.0763% (0.61 1.0 0.02 0.02) = 0.076% HB2 SER 88 - HN LEU 74 14.286% * 0.0314% (0.25 1.0 0.02 0.02) = 0.031% Peak 31 (0.91, 8.45, 129.16 ppm): 12 chemical-shift based assignments, quality = 0.785, support = 1.73, residual support = 8.14: QD1 LEU 67 - HN LEU 74 8.333% * 30.8676% (0.87 2.55 17.09) = 30.868% kept QG2 VAL 40 - HN LEU 74 8.333% * 22.3384% (0.73 2.20 11.48) = 22.338% kept HG3 LYS+ 117 - HN LEU 74 8.333% * 15.8923% (0.92 1.23 1.02) = 15.892% kept QG1 VAL 47 - HN LEU 74 8.333% * 9.5714% (0.80 0.86 0.36) = 9.571% kept HG12 ILE 68 - HN LEU 74 8.333% * 9.1187% (0.61 1.08 1.07) = 9.119% kept QG2 VAL 80 - HN LEU 74 8.333% * 8.7761% (0.80 0.78 0.02) = 8.776% kept QG1 VAL 80 - HN LEU 74 8.333% * 1.5141% (0.38 0.29 0.02) = 1.514% kept QG2 VAL 105 - HN LEU 74 8.333% * 0.8222% (0.34 0.17 0.02) = 0.822% QG1 VAL 105 - HN LEU 74 8.333% * 0.6183% (0.28 0.16 0.02) = 0.618% QG2 VAL 87 - HN LEU 74 8.333% * 0.2028% (0.73 0.02 0.02) = 0.203% HG3 LYS+ 110 - HN LEU 74 8.333% * 0.1919% (0.69 0.02 0.02) = 0.192% QD1 LEU 17 - HN LEU 74 8.333% * 0.0862% (0.31 0.02 0.02) = 0.086% Peak 32 (0.71, 8.45, 129.16 ppm): 12 chemical-shift based assignments, quality = 0.684, support = 4.17, residual support = 103.6: * HG LEU 74 - HN LEU 74 8.333% * 64.2447% (0.73 5.73 158.96) = 64.245% kept QG1 VAL 40 - HN LEU 74 8.333% * 12.3634% (0.31 2.59 11.48) = 12.363% kept QG2 ILE 101 - HN LEU 74 8.333% * 10.8992% (0.98 0.72 0.02) = 10.899% kept QD1 ILE 68 - HN LEU 74 8.333% * 5.6967% (0.28 1.33 1.07) = 5.697% kept QG2 ILE 48 - HN LEU 74 8.333% * 3.2244% (0.91 0.23 0.02) = 3.224% kept QG2 THR 96 - HN LEU 74 8.333% * 2.6973% (1.00 0.18 0.02) = 2.697% kept QG1 VAL 65 - HN LEU 74 8.333% * 0.2852% (0.92 0.02 0.02) = 0.285% QD1 ILE 19 - HN LEU 74 8.333% * 0.1504% (0.49 0.02 0.02) = 0.150% QG2 VAL 94 - HN LEU 74 8.333% * 0.1270% (0.41 0.02 0.02) = 0.127% QG2 ILE 68 - HN LEU 74 8.333% * 0.1270% (0.41 0.02 1.07) = 0.127% HG12 ILE 19 - HN LEU 74 8.333% * 0.1159% (0.38 0.02 0.02) = 0.116% QG2 VAL 65 - HN LEU 74 8.333% * 0.0688% (0.22 0.02 0.02) = 0.069% Peak 33 (8.45, 8.45, 129.16 ppm): 1 diagonal assignment: * HN LEU 74 - HN LEU 74 (1.00) kept Peak 35 (0.45, 8.45, 129.16 ppm): 2 chemical-shift based assignments, quality = 0.8, support = 5.66, residual support = 158.8: * QD2 LEU 74 - HN LEU 74 50.000% * 99.9228% (0.80 5.66 158.96) = 99.923% kept QD2 LEU 43 - HN LEU 74 50.000% * 0.0772% (0.18 0.02 1.31) = 0.077% Peak 37 (4.96, 8.45, 129.16 ppm): 5 chemical-shift based assignments, quality = 0.555, support = 0.81, residual support = 12.1: HA MET 97 - HN LEU 74 20.000% * 39.4752% (0.64 0.66 1.03) = 39.475% kept HA SER 69 - HN LEU 74 20.000% * 27.9244% (0.17 1.72 42.02) = 27.924% kept HA ILE 101 - HN LEU 74 20.000% * 16.3653% (0.68 0.26 0.02) = 16.365% kept HA HIS+ 98 - HN LEU 74 20.000% * 15.3335% (0.94 0.18 0.02) = 15.333% kept HA ALA 33 - HN LEU 74 20.000% * 0.9016% (0.48 0.02 0.02) = 0.902% Reference assignment not found: HA ILE 68 - HN LEU 74 Peak 38 (8.90, 8.91, 128.65 ppm): 1 diagonal assignment: * HN GLN 102 - HN GLN 102 (0.92) kept Peak 39 (4.92, 8.91, 128.65 ppm): 2 chemical-shift based assignments, quality = 0.174, support = 3.7, residual support = 25.7: * O HA ILE 101 - HN GLN 102 50.000% * 99.8241% (0.17 10.0 3.71 25.72) = 99.824% kept HA ALA 33 - HN GLN 102 50.000% * 0.1759% (0.31 1.0 0.02 1.76) = 0.176% Peak 40 (0.70, 8.91, 128.65 ppm): 12 chemical-shift based assignments, quality = 0.905, support = 3.05, residual support = 16.5: * QG2 ILE 101 - HN GLN 102 8.333% * 63.7954% (0.99 4.21 25.72) = 63.795% kept QG1 VAL 65 - HN GLN 102 8.333% * 14.0325% (0.96 0.95 0.64) = 14.033% kept QG2 ILE 48 - HN GLN 102 8.333% * 12.1052% (0.92 0.86 0.02) = 12.105% kept QG2 VAL 65 - HN GLN 102 8.333% * 5.4498% (0.17 2.04 0.64) = 5.450% kept HG LEU 74 - HN GLN 102 8.333% * 3.0675% (0.64 0.31 0.02) = 3.067% kept QG1 VAL 40 - HN GLN 102 8.333% * 0.5713% (0.25 0.15 0.02) = 0.571% QG2 THR 96 - HN GLN 102 8.333% * 0.3042% (0.99 0.02 0.02) = 0.304% QD1 ILE 19 - HN GLN 102 8.333% * 0.1726% (0.56 0.02 0.02) = 0.173% QG2 VAL 94 - HN GLN 102 8.333% * 0.1484% (0.48 0.02 0.02) = 0.148% QG2 ILE 68 - HN GLN 102 8.333% * 0.1484% (0.48 0.02 0.02) = 0.148% HG12 ILE 19 - HN GLN 102 8.333% * 0.1367% (0.45 0.02 0.02) = 0.137% QD1 ILE 68 - HN GLN 102 8.333% * 0.0679% (0.22 0.02 0.02) = 0.068% Peak 41 (1.90, 8.91, 128.65 ppm): 12 chemical-shift based assignments, quality = 0.906, support = 3.63, residual support = 25.2: * O HB3 GLN 102 - HN GLN 102 8.333% * 91.2641% (0.92 10.0 3.90 27.58) = 91.264% kept HG2 GLU- 18 - HN GLN 102 8.333% * 4.5397% (0.76 1.0 1.20 0.77) = 4.540% kept HB2 PRO 112 - HN GLN 102 8.333% * 3.3632% (0.97 1.0 0.70 0.02) = 3.363% kept HG2 PRO 112 - HN GLN 102 8.333% * 0.3652% (0.28 1.0 0.27 0.02) = 0.365% HB3 ARG+ 53 - HN GLN 102 8.333% * 0.0986% (0.99 1.0 0.02 0.02) = 0.099% HB3 CYS 123 - HN GLN 102 8.333% * 0.0935% (0.94 1.0 0.02 0.02) = 0.094% HD3 LYS+ 63 - HN GLN 102 8.333% * 0.0756% (0.76 1.0 0.02 0.02) = 0.076% HB3 GLN 16 - HN GLN 102 8.333% * 0.0756% (0.76 1.0 0.02 1.68) = 0.076% HB2 LEU 23 - HN GLN 102 8.333% * 0.0481% (0.48 1.0 0.02 0.96) = 0.048% HB ILE 29 - HN GLN 102 8.333% * 0.0305% (0.31 1.0 0.02 0.02) = 0.031% HG3 LYS+ 120 - HN GLN 102 8.333% * 0.0305% (0.31 1.0 0.02 0.02) = 0.031% HD3 PRO 52 - HN GLN 102 8.333% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% Peak 42 (4.46, 8.91, 128.65 ppm): 8 chemical-shift based assignments, quality = 0.794, support = 3.33, residual support = 25.7: * O HA GLN 102 - HN GLN 102 12.500% * 92.9836% (0.80 10.0 3.48 27.58) = 92.984% kept HA ILE 100 - HN GLN 102 12.500% * 6.6458% (0.80 1.0 1.43 0.14) = 6.646% kept HA GLU- 50 - HN GLN 102 12.500% * 0.1121% (0.96 1.0 0.02 0.02) = 0.112% HA MET 118 - HN GLN 102 12.500% * 0.0970% (0.83 1.0 0.02 0.02) = 0.097% HA MET 126 - HN GLN 102 12.500% * 0.0704% (0.60 1.0 0.02 0.02) = 0.070% HA LYS+ 32 - HN GLN 102 12.500% * 0.0477% (0.41 1.0 0.02 1.27) = 0.048% HB THR 24 - HN GLN 102 12.500% * 0.0230% (0.20 1.0 0.02 0.02) = 0.023% HA LYS+ 111 - HN GLN 102 12.500% * 0.0203% (0.17 1.0 0.02 0.02) = 0.020% Peak 43 (0.53, 8.91, 128.65 ppm): 1 chemical-shift based assignment, quality = 0.197, support = 4.28, residual support = 25.7: * QD1 ILE 101 - HN GLN 102 100.000% *100.0000% (0.20 4.28 25.72) = 100.000% kept Peak 44 (2.14, 8.91, 128.65 ppm): 11 chemical-shift based assignments, quality = 0.706, support = 0.887, residual support = 0.291: HB3 GLU- 75 - HN GLN 102 9.091% * 51.6473% (0.74 1.27 0.55) = 51.647% kept HB VAL 47 - HN GLN 102 9.091% * 26.0281% (0.68 0.69 0.02) = 26.028% kept HG2 PRO 112 - HN GLN 102 9.091% * 13.3968% (0.91 0.27 0.02) = 13.397% kept HG2 PRO 104 - HN GLN 102 9.091% * 4.6134% (0.25 0.34 0.02) = 4.613% kept HB2 ASP- 28 - HN GLN 102 9.091% * 1.0707% (0.98 0.02 0.02) = 1.071% kept HB3 LYS+ 78 - HN GLN 102 9.091% * 0.9124% (0.83 0.02 0.02) = 0.912% HG2 GLU- 45 - HN GLN 102 9.091% * 0.8348% (0.76 0.02 0.02) = 0.835% HB VAL 105 - HN GLN 102 9.091% * 0.6184% (0.56 0.02 0.02) = 0.618% HB2 GLU- 56 - HN GLN 102 9.091% * 0.3726% (0.34 0.02 0.02) = 0.373% HB VAL 87 - HN GLN 102 9.091% * 0.3371% (0.31 0.02 0.35) = 0.337% HB3 LEU 43 - HN GLN 102 9.091% * 0.1685% (0.15 0.02 0.02) = 0.169% Peak 45 (4.18, 8.91, 128.65 ppm): 7 chemical-shift based assignments, quality = 0.886, support = 1.3, residual support = 0.624: HB3 SER 49 - HN GLN 102 14.286% * 48.0095% (0.87 1.46 0.68) = 48.010% kept * HA VAL 65 - HN GLN 102 14.286% * 46.2406% (0.99 1.25 0.64) = 46.241% kept HA ASP- 82 - HN GLN 102 14.286% * 4.2384% (0.27 0.41 0.02) = 4.238% kept HA VAL 73 - HN GLN 102 14.286% * 0.7294% (0.97 0.02 0.02) = 0.729% HA VAL 105 - HN GLN 102 14.286% * 0.3336% (0.44 0.02 0.02) = 0.334% HB THR 106 - HN GLN 102 14.286% * 0.3336% (0.44 0.02 0.02) = 0.334% HA VAL 87 - HN GLN 102 14.286% * 0.1148% (0.15 0.02 0.35) = 0.115% Peak 49 (8.73, 8.74, 127.82 ppm): 1 diagonal assignment: * HN ILE 101 - HN ILE 101 (0.90) kept Peak 50 (4.46, 8.74, 127.82 ppm): 8 chemical-shift based assignments, quality = 0.857, support = 4.77, residual support = 20.0: * O HA ILE 100 - HN ILE 101 12.500% * 84.7813% (0.87 10.0 5.07 19.24) = 84.781% kept HA GLN 102 - HN ILE 101 12.500% * 14.1632% (0.87 1.0 3.34 25.72) = 14.163% kept HA LYS+ 32 - HN ILE 101 12.500% * 0.7951% (0.49 1.0 0.33 1.04) = 0.795% HA GLU- 50 - HN ILE 101 12.500% * 0.0902% (0.92 1.0 0.02 0.02) = 0.090% HA MET 118 - HN ILE 101 12.500% * 0.0747% (0.76 1.0 0.02 0.02) = 0.075% HA MET 126 - HN ILE 101 12.500% * 0.0671% (0.69 1.0 0.02 0.02) = 0.067% HB THR 24 - HN ILE 101 12.500% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% HA LYS+ 111 - HN ILE 101 12.500% * 0.0132% (0.14 1.0 0.02 0.02) = 0.013% Peak 51 (2.06, 8.74, 127.82 ppm): 12 chemical-shift based assignments, quality = 0.787, support = 5.49, residual support = 106.3: * O HB ILE 101 - HN ILE 101 8.333% * 82.6036% (0.80 10.0 6.34 128.54) = 82.604% kept HB3 GLU- 75 - HN ILE 101 8.333% * 8.8908% (0.84 1.0 2.05 1.34) = 8.891% kept HG3 PRO 86 - HN ILE 101 8.333% * 4.2219% (0.61 1.0 1.35 0.11) = 4.222% kept HB VAL 62 - HN ILE 101 8.333% * 1.5365% (0.90 1.0 0.33 0.77) = 1.536% kept HB2 GLU- 45 - HN ILE 101 8.333% * 1.2859% (0.73 1.0 0.34 0.02) = 1.286% kept HB3 LYS+ 110 - HN ILE 101 8.333% * 1.2157% (0.25 1.0 0.95 0.77) = 1.216% kept HG2 PRO 112 - HN ILE 101 8.333% * 0.0747% (0.72 1.0 0.02 0.02) = 0.075% HB3 LYS+ 120 - HN ILE 101 8.333% * 0.0626% (0.61 1.0 0.02 0.02) = 0.063% HG2 GLN 16 - HN ILE 101 8.333% * 0.0462% (0.45 1.0 0.02 0.02) = 0.046% HD3 LYS+ 110 - HN ILE 101 8.333% * 0.0257% (0.25 1.0 0.02 0.77) = 0.026% HB2 LYS+ 110 - HN ILE 101 8.333% * 0.0204% (0.20 1.0 0.02 0.77) = 0.020% HB VAL 125 - HN ILE 101 8.333% * 0.0159% (0.15 1.0 0.02 0.02) = 0.016% Peak 52 (0.85, 8.74, 127.82 ppm): 7 chemical-shift based assignments, quality = 0.751, support = 4.27, residual support = 18.2: * QG2 ILE 100 - HN ILE 101 14.286% * 94.8558% (0.76 4.50 19.24) = 94.856% kept QG2 VAL 13 - HN ILE 101 14.286% * 2.8332% (0.80 0.13 0.02) = 2.833% kept QG1 VAL 13 - HN ILE 101 14.286% * 1.2987% (0.31 0.15 0.02) = 1.299% kept QD1 LEU 90 - HN ILE 101 14.286% * 0.4421% (0.80 0.02 0.02) = 0.442% HG2 LYS+ 117 - HN ILE 101 14.286% * 0.2905% (0.53 0.02 0.02) = 0.290% QD1 ILE 29 - HN ILE 101 14.286% * 0.1704% (0.31 0.02 0.02) = 0.170% QG2 VAL 125 - HN ILE 101 14.286% * 0.1093% (0.20 0.02 0.02) = 0.109% Peak 53 (1.61, 8.74, 127.82 ppm): 10 chemical-shift based assignments, quality = 0.63, support = 4.96, residual support = 107.2: * HG12 ILE 101 - HN ILE 101 10.000% * 83.3157% (0.65 5.87 128.54) = 83.316% kept HD3 LYS+ 32 - HN ILE 101 10.000% * 7.5550% (0.76 0.45 1.04) = 7.555% kept HB3 LYS+ 32 - HN ILE 101 10.000% * 4.7798% (0.28 0.78 1.04) = 4.780% kept HB3 PRO 52 - HN ILE 101 10.000% * 2.3614% (0.90 0.12 0.02) = 2.361% kept HG2 LYS+ 110 - HN ILE 101 10.000% * 0.4302% (0.98 0.02 0.77) = 0.430% HG3 LYS+ 78 - HN ILE 101 10.000% * 0.4051% (0.92 0.02 0.02) = 0.405% HG LEU 43 - HN ILE 101 10.000% * 0.3015% (0.69 0.02 0.02) = 0.301% HB VAL 122 - HN ILE 101 10.000% * 0.3015% (0.69 0.02 0.02) = 0.301% HB ILE 68 - HN ILE 101 10.000% * 0.3015% (0.69 0.02 0.10) = 0.301% HG LEU 23 - HN ILE 101 10.000% * 0.2485% (0.57 0.02 0.50) = 0.248% Peak 54 (1.26, 8.74, 127.82 ppm): 4 chemical-shift based assignments, quality = 0.34, support = 4.88, residual support = 106.0: * HG13 ILE 101 - HN ILE 101 25.000% * 82.3715% (0.28 5.87 128.54) = 82.371% kept HG2 LYS+ 32 - HN ILE 101 25.000% * 10.0118% (0.73 0.27 1.04) = 10.012% kept HB3 LEU 74 - HN ILE 101 25.000% * 7.2723% (0.53 0.27 0.02) = 7.272% kept HG2 LYS+ 81 - HN ILE 101 25.000% * 0.3444% (0.34 0.02 0.02) = 0.344% Peak 55 (0.71, 8.74, 127.82 ppm): 14 chemical-shift based assignments, quality = 0.836, support = 5.8, residual support = 104.6: * QG2 ILE 101 - HN ILE 101 7.143% * 80.9684% (0.88 7.02 128.54) = 80.968% kept QG2 ILE 48 - HN ILE 101 7.143% * 8.7923% (0.84 0.80 0.14) = 8.792% kept QG2 VAL 65 - HN ILE 101 7.143% * 4.7952% (0.49 0.75 5.60) = 4.795% kept QG1 VAL 65 - HN ILE 101 7.143% * 3.2678% (0.65 0.38 5.60) = 3.268% kept QG1 VAL 40 - HN ILE 101 7.143% * 1.2325% (0.61 0.15 0.59) = 1.233% kept HG LEU 74 - HN ILE 101 7.143% * 0.2535% (0.96 0.02 0.02) = 0.254% QG2 THR 96 - HN ILE 101 7.143% * 0.2194% (0.83 0.02 0.02) = 0.219% QD1 ILE 68 - HN ILE 101 7.143% * 0.1487% (0.57 0.02 0.10) = 0.149% HG3 LYS+ 44 - HN ILE 101 7.143% * 0.0655% (0.25 0.02 0.02) = 0.066% HG3 LYS+ 66 - HN ILE 101 7.143% * 0.0655% (0.25 0.02 9.41) = 0.066% QD1 ILE 19 - HN ILE 101 7.143% * 0.0585% (0.22 0.02 0.02) = 0.058% QG2 VAL 94 - HN ILE 101 7.143% * 0.0460% (0.17 0.02 0.02) = 0.046% QG2 ILE 68 - HN ILE 101 7.143% * 0.0460% (0.17 0.02 0.10) = 0.046% HG12 ILE 19 - HN ILE 101 7.143% * 0.0405% (0.15 0.02 0.02) = 0.041% Peak 56 (0.54, 8.74, 127.82 ppm): 1 chemical-shift based assignment, quality = 0.486, support = 5.91, residual support = 128.5: * QD1 ILE 101 - HN ILE 101 100.000% *100.0000% (0.49 5.91 128.54) = 100.000% kept Peak 57 (4.47, 8.35, 127.86 ppm): 8 chemical-shift based assignments, quality = 0.951, support = 2.17, residual support = 8.23: * O HA GLN 102 - HN ALA 103 12.500% * 99.5622% (0.96 10.0 2.18 8.27) = 99.562% kept HA ILE 100 - HN ALA 103 12.500% * 0.0996% (0.96 1.0 0.02 0.02) = 0.100% HA MET 126 - HN ALA 103 12.500% * 0.0881% (0.85 1.0 0.02 0.02) = 0.088% HA GLU- 50 - HN ALA 103 12.500% * 0.0776% (0.75 1.0 0.02 0.02) = 0.078% HA LYS+ 32 - HN ALA 103 12.500% * 0.0698% (0.67 1.0 0.02 0.02) = 0.070% HA MET 118 - HN ALA 103 12.500% * 0.0575% (0.55 1.0 0.02 0.02) = 0.058% HA SER 77 - HN ALA 103 12.500% * 0.0226% (0.22 1.0 0.02 0.02) = 0.023% HA CYS 123 - HN ALA 103 12.500% * 0.0226% (0.22 1.0 0.02 0.02) = 0.023% Peak 58 (1.29, 8.35, 127.86 ppm): 7 chemical-shift based assignments, quality = 0.867, support = 2.62, residual support = 7.69: * O QB ALA 103 - HN ALA 103 14.286% * 96.8248% (0.87 10.0 2.69 7.94) = 96.825% kept HG13 ILE 101 - HN ALA 103 14.286% * 2.8857% (0.71 1.0 0.74 0.02) = 2.886% kept HB2 LYS+ 55 - HN ALA 103 14.286% * 0.1080% (0.97 1.0 0.02 0.02) = 0.108% HG2 LYS+ 81 - HN ALA 103 14.286% * 0.0698% (0.63 1.0 0.02 0.02) = 0.070% HB3 LEU 74 - HN ALA 103 14.286% * 0.0484% (0.44 1.0 0.02 0.02) = 0.048% QG2 THR 46 - HN ALA 103 14.286% * 0.0333% (0.30 1.0 0.02 0.31) = 0.033% HG2 LYS+ 32 - HN ALA 103 14.286% * 0.0300% (0.27 1.0 0.02 0.02) = 0.030% Peak 59 (1.89, 8.35, 127.86 ppm): 12 chemical-shift based assignments, quality = 0.583, support = 1.66, residual support = 4.41: * HB3 GLN 102 - HN ALA 103 8.333% * 52.3083% (0.44 2.81 8.27) = 52.308% kept HG2 GLU- 18 - HN ALA 103 8.333% * 20.0237% (0.97 0.49 0.02) = 20.024% kept HB3 GLN 16 - HN ALA 103 8.333% * 9.7759% (0.97 0.24 0.02) = 9.776% kept HB2 PRO 112 - HN ALA 103 8.333% * 7.4562% (0.65 0.27 0.53) = 7.456% kept HG2 PRO 112 - HN ALA 103 8.333% * 7.1922% (0.24 0.70 0.53) = 7.192% kept HB3 CYS 123 - HN ALA 103 8.333% * 0.7215% (0.85 0.02 0.02) = 0.721% HG3 LYS+ 120 - HN ALA 103 8.333% * 0.6660% (0.78 0.02 0.02) = 0.666% HB3 ARG+ 53 - HN ALA 103 8.333% * 0.6040% (0.71 0.02 0.02) = 0.604% HD3 PRO 52 - HN ALA 103 8.333% * 0.4709% (0.55 0.02 0.02) = 0.471% HB3 ARG+ 84 - HN ALA 103 8.333% * 0.4376% (0.51 0.02 0.02) = 0.438% HD3 LYS+ 63 - HN ALA 103 8.333% * 0.2313% (0.27 0.02 0.02) = 0.231% HD2 PRO 59 - HN ALA 103 8.333% * 0.1126% (0.13 0.02 0.02) = 0.113% Peak 60 (8.35, 8.35, 127.86 ppm): 1 diagonal assignment: * HN ALA 103 - HN ALA 103 (0.97) kept Peak 61 (4.76, 8.35, 127.86 ppm): 1 chemical-shift based assignment, quality = 0.513, support = 0.0789, residual support = 0.02: HA ASN 15 - HN ALA 103 100.000% *100.0000% (0.51 0.08 0.02) = 100.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 62 (2.14, 8.35, 127.86 ppm): 10 chemical-shift based assignments, quality = 0.743, support = 0.782, residual support = 1.87: HB VAL 47 - HN ALA 103 10.000% * 31.9650% (0.81 1.07 0.51) = 31.965% kept HG2 PRO 112 - HN ALA 103 10.000% * 22.9823% (0.90 0.70 0.53) = 22.982% kept HG2 PRO 104 - HN ALA 103 10.000% * 14.3009% (0.37 1.07 11.06) = 14.301% kept HB3 GLU- 75 - HN ALA 103 10.000% * 13.4387% (0.69 0.53 0.02) = 13.439% kept HB2 ASP- 28 - HN ALA 103 10.000% * 12.6533% (0.87 0.40 0.02) = 12.653% kept HG2 GLU- 45 - HN ALA 103 10.000% * 3.3914% (0.59 0.16 0.02) = 3.391% kept HB3 LYS+ 78 - HN ALA 103 10.000% * 0.6751% (0.92 0.02 0.02) = 0.675% HB VAL 105 - HN ALA 103 10.000% * 0.2934% (0.40 0.02 0.39) = 0.293% HB2 GLU- 56 - HN ALA 103 10.000% * 0.1589% (0.22 0.02 0.02) = 0.159% HB VAL 87 - HN ALA 103 10.000% * 0.1412% (0.19 0.02 0.02) = 0.141% Peak 63 (8.90, 8.35, 127.86 ppm): 2 chemical-shift based assignments, quality = 0.953, support = 2.58, residual support = 8.24: * HN GLN 102 - HN ALA 103 50.000% * 99.7312% (0.96 2.58 8.27) = 99.731% kept HN ASP- 36 - HN ALA 103 50.000% * 0.2688% (0.33 0.02 0.02) = 0.269% Peak 64 (0.20, 8.43, 127.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 65 (3.53, 8.43, 127.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 66 (8.95, 8.96, 127.54 ppm): 1 diagonal assignment: * HN MET 97 - HN MET 97 (0.76) kept Peak 67 (4.84, 8.96, 127.54 ppm): 4 chemical-shift based assignments, quality = 0.754, support = 2.09, residual support = 4.62: * O HA THR 96 - HN MET 97 25.000% * 98.0991% (0.76 10.0 2.11 4.71) = 98.099% kept HA GLU- 18 - HN MET 97 25.000% * 1.8064% (0.22 1.0 1.26 0.02) = 1.806% kept HA ASP- 115 - HN MET 97 25.000% * 0.0625% (0.49 1.0 0.02 0.02) = 0.062% HB THR 39 - HN MET 97 25.000% * 0.0320% (0.25 1.0 0.02 0.02) = 0.032% Peak 68 (1.66, 8.96, 127.54 ppm): 10 chemical-shift based assignments, quality = 0.782, support = 2.7, residual support = 11.4: * O HB3 MET 97 - HN MET 97 10.000% * 88.6710% (0.80 10.0 2.87 12.63) = 88.671% kept HG2 ARG+ 22 - HN MET 97 10.000% * 5.0754% (0.69 1.0 1.33 0.93) = 5.075% kept HB ILE 100 - HN MET 97 10.000% * 3.7387% (0.90 1.0 0.75 0.02) = 3.739% kept HG13 ILE 19 - HN MET 97 10.000% * 2.1174% (0.15 1.0 2.48 7.98) = 2.117% kept HG3 ARG+ 84 - HN MET 97 10.000% * 0.1105% (1.00 1.0 0.02 0.02) = 0.110% HB3 LYS+ 66 - HN MET 97 10.000% * 0.1022% (0.92 1.0 0.02 0.02) = 0.102% HB3 MET 126 - HN MET 97 10.000% * 0.0804% (0.73 1.0 0.02 0.02) = 0.080% HB3 LYS+ 81 - HN MET 97 10.000% * 0.0627% (0.57 1.0 0.02 0.02) = 0.063% HD3 LYS+ 55 - HN MET 97 10.000% * 0.0247% (0.22 1.0 0.02 0.02) = 0.025% HG LEU 23 - HN MET 97 10.000% * 0.0171% (0.15 1.0 0.02 0.02) = 0.017% Peak 69 (0.69, 8.96, 127.54 ppm): 10 chemical-shift based assignments, quality = 0.895, support = 2.47, residual support = 6.58: HG12 ILE 19 - HN MET 97 10.000% * 36.4120% (0.97 2.88 7.98) = 36.412% kept QD1 ILE 19 - HN MET 97 10.000% * 35.1546% (1.00 2.69 7.98) = 35.155% kept * QG2 THR 96 - HN MET 97 10.000% * 18.2412% (0.57 2.46 4.71) = 18.241% kept QG2 ILE 101 - HN MET 97 10.000% * 4.3215% (0.90 0.37 0.02) = 4.321% kept QG2 VAL 94 - HN MET 97 10.000% * 3.3165% (0.98 0.26 0.02) = 3.316% kept QG2 ILE 68 - HN MET 97 10.000% * 1.9148% (0.98 0.15 0.46) = 1.915% kept QG2 ILE 48 - HN MET 97 10.000% * 0.2606% (0.99 0.02 0.02) = 0.261% QG1 VAL 65 - HN MET 97 10.000% * 0.2005% (0.76 0.02 0.02) = 0.200% QG1 VAL 62 - HN MET 97 10.000% * 0.1380% (0.53 0.02 0.02) = 0.138% HG LEU 74 - HN MET 97 10.000% * 0.0405% (0.15 0.02 1.03) = 0.040% Peak 70 (4.69, 8.96, 127.54 ppm): 9 chemical-shift based assignments, quality = 0.548, support = 0.585, residual support = 1.12: HA GLN 16 - HN MET 97 11.111% * 59.5138% (0.61 0.70 0.96) = 59.514% kept HA VAL 99 - HN MET 97 11.111% * 32.3840% (0.45 0.52 1.69) = 32.384% kept HA ASN 89 - HN MET 97 11.111% * 2.5136% (0.90 0.02 0.02) = 2.514% kept HA TYR 83 - HN MET 97 11.111% * 1.9252% (0.69 0.02 0.02) = 1.925% kept HA PRO 35 - HN MET 97 11.111% * 1.2566% (0.45 0.02 0.02) = 1.257% kept HA THR 61 - HN MET 97 11.111% * 0.8651% (0.31 0.02 0.02) = 0.865% HA LYS+ 120 - HN MET 97 11.111% * 0.5547% (0.20 0.02 0.02) = 0.555% HA THR 39 - HN MET 97 11.111% * 0.5547% (0.20 0.02 0.02) = 0.555% HA2 GLY 30 - HN MET 97 11.111% * 0.4325% (0.15 0.02 0.02) = 0.432% Peak 71 (4.94, 8.96, 127.54 ppm): 3 chemical-shift based assignments, quality = 0.774, support = 1.08, residual support = 2.75: HA HIS+ 98 - HN MET 97 33.333% * 69.5052% (0.69 1.46 3.95) = 69.505% kept HA ILE 101 - HN MET 97 33.333% * 16.0473% (0.95 0.24 0.02) = 16.047% kept HA ALA 33 - HN MET 97 33.333% * 14.4475% (1.00 0.21 0.02) = 14.448% kept Reference assignment not found: HA MET 97 - HN MET 97 Peak 72 (5.26, 8.96, 127.54 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 0.757, residual support = 1.8: HA PHE 21 - HN MET 97 100.000% *100.0000% (0.76 0.76 1.80) = 100.000% kept Peak 73 (8.58, 8.96, 127.54 ppm): 4 chemical-shift based assignments, quality = 0.445, support = 4.43, residual support = 7.83: * T HN LYS+ 20 - HN MET 97 25.000% * 99.3436% (0.45 10.00 4.46 7.88) = 99.344% kept HN VAL 80 - HN MET 97 25.000% * 0.2196% (0.99 1.00 0.02 0.02) = 0.220% HN VAL 73 - HN MET 97 25.000% * 0.2196% (0.99 1.00 0.02 0.02) = 0.220% HN THR 39 - HN MET 97 25.000% * 0.2172% (0.98 1.00 0.02 0.02) = 0.217% Peak 74 (8.32, 8.32, 127.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 75 (0.85, 8.32, 127.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 76 (4.13, 8.32, 127.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 77 (1.81, 8.32, 127.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 78 (7.99, 8.01, 126.97 ppm): 1 diagonal assignment: * HN MET 126 - HN MET 126 (0.81) kept Peak 79 (4.19, 8.01, 126.97 ppm): 6 chemical-shift based assignments, quality = 0.849, support = 0.21, residual support = 0.02: HA VAL 65 - HN MET 126 16.667% * 81.1967% (0.89 0.25 0.02) = 81.197% kept HA VAL 73 - HN MET 126 16.667% * 6.0007% (0.84 0.02 0.02) = 6.001% kept HB3 SER 49 - HN MET 126 16.667% * 5.8543% (0.82 0.02 0.02) = 5.854% kept HA ASP- 82 - HN MET 126 16.667% * 3.1015% (0.43 0.02 0.02) = 3.101% kept HB THR 106 - HN MET 126 16.667% * 1.9234% (0.27 0.02 0.02) = 1.923% kept HA VAL 105 - HN MET 126 16.667% * 1.9234% (0.27 0.02 0.02) = 1.923% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 80 (1.61, 8.35, 126.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 81 (8.34, 8.35, 126.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 82 (0.85, 8.35, 126.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 83 (4.66, 8.88, 126.48 ppm): 4 chemical-shift based assignments, quality = 0.894, support = 3.13, residual support = 16.6: * O HA PRO 35 - HN ASP- 36 25.000% * 99.7627% (0.90 10.0 3.14 16.61) = 99.763% kept HA LYS+ 120 - HN ASP- 36 25.000% * 0.1110% (1.00 1.0 0.02 0.02) = 0.111% HA TYR 83 - HN ASP- 36 25.000% * 0.0764% (0.69 1.0 0.02 0.02) = 0.076% HA ASN 89 - HN ASP- 36 25.000% * 0.0499% (0.45 1.0 0.02 0.02) = 0.050% Peak 84 (2.64, 8.88, 126.48 ppm): 5 chemical-shift based assignments, quality = 0.723, support = 3.72, residual support = 20.1: * O HB3 ASP- 36 - HN ASP- 36 20.000% * 99.7397% (0.73 10.0 3.73 20.13) = 99.740% kept HB3 ASP- 82 - HN ASP- 36 20.000% * 0.1147% (0.83 1.0 0.02 0.02) = 0.115% HB2 ASP- 25 - HN ASP- 36 20.000% * 0.0669% (0.49 1.0 0.02 0.02) = 0.067% HE3 LYS+ 20 - HN ASP- 36 20.000% * 0.0516% (0.37 1.0 0.02 0.02) = 0.052% HE2 LYS+ 120 - HN ASP- 36 20.000% * 0.0272% (0.20 1.0 0.02 0.02) = 0.027% Peak 85 (8.87, 8.88, 126.48 ppm): 1 diagonal assignment: * HN ASP- 36 - HN ASP- 36 (0.87) kept Peak 86 (2.52, 8.88, 126.48 ppm): 4 chemical-shift based assignments, quality = 0.984, support = 3.88, residual support = 19.7: * O HB2 ASP- 36 - HN ASP- 36 25.000% * 97.9337% (1.00 10.0 3.93 20.13) = 97.934% kept HG2 PRO 112 - HN ASP- 36 25.000% * 1.9436% (0.31 1.0 1.27 1.41) = 1.944% kept HB2 ASP- 115 - HN ASP- 36 25.000% * 0.0673% (0.69 1.0 0.02 0.02) = 0.067% HB3 PRO 59 - HN ASP- 36 25.000% * 0.0554% (0.57 1.0 0.02 0.02) = 0.055% Peak 87 (4.28, 8.88, 126.48 ppm): 18 chemical-shift based assignments, quality = 0.526, support = 3.53, residual support = 19.0: * O HA ASP- 36 - HN ASP- 36 5.556% * 94.3027% (0.53 10.0 3.73 20.13) = 94.303% kept HA LEU 90 - HN ASP- 36 5.556% * 2.1477% (0.99 1.0 0.24 0.02) = 2.148% kept HA GLU- 75 - HN ASP- 36 5.556% * 1.8436% (0.53 1.0 0.39 0.02) = 1.844% kept HA VAL 122 - HN ASP- 36 5.556% * 0.1792% (1.00 1.0 0.02 0.02) = 0.179% HA VAL 94 - HN ASP- 36 5.556% * 0.1696% (0.94 1.0 0.02 0.02) = 0.170% HA ARG+ 84 - HN ASP- 36 5.556% * 0.1655% (0.92 1.0 0.02 0.02) = 0.165% HA SER 85 - HN ASP- 36 5.556% * 0.1655% (0.92 1.0 0.02 0.02) = 0.165% HA PRO 52 - HN ASP- 36 5.556% * 0.1655% (0.92 1.0 0.02 0.02) = 0.165% HB3 CYS 121 - HN ASP- 36 5.556% * 0.1607% (0.90 1.0 0.02 0.02) = 0.161% HA THR 106 - HN ASP- 36 5.556% * 0.1435% (0.80 1.0 0.02 0.02) = 0.144% HA CYS 121 - HN ASP- 36 5.556% * 0.1370% (0.76 1.0 0.02 0.02) = 0.137% HA GLU- 56 - HN ASP- 36 5.556% * 0.1302% (0.73 1.0 0.02 0.02) = 0.130% HA GLU- 64 - HN ASP- 36 5.556% * 0.1015% (0.57 1.0 0.02 0.02) = 0.101% HA ASN 119 - HN ASP- 36 5.556% * 0.0447% (0.25 1.0 0.02 0.02) = 0.045% HA GLU- 107 - HN ASP- 36 5.556% * 0.0447% (0.25 1.0 0.02 0.02) = 0.045% HA ASN 76 - HN ASP- 36 5.556% * 0.0399% (0.22 1.0 0.02 0.02) = 0.040% HA ALA 11 - HN ASP- 36 5.556% * 0.0314% (0.17 1.0 0.02 0.02) = 0.031% HB3 SER 49 - HN ASP- 36 5.556% * 0.0273% (0.15 1.0 0.02 0.02) = 0.027% Peak 88 (7.76, 8.88, 126.48 ppm): 4 chemical-shift based assignments, quality = 0.996, support = 5.05, residual support = 18.9: * T HN ALA 37 - HN ASP- 36 25.000% * 87.6254% (1.00 10.00 5.57 21.57) = 87.625% kept HN VAL 125 - HN ASP- 36 25.000% * 6.8141% (0.99 1.00 1.57 0.21) = 6.814% kept HN SER 124 - HN ASP- 36 25.000% * 5.5431% (1.00 1.00 1.26 0.24) = 5.543% kept HN ALA 42 - HN ASP- 36 25.000% * 0.0174% (0.20 1.00 0.02 0.02) = 0.017% Peak 89 (1.92, 8.88, 126.48 ppm): 13 chemical-shift based assignments, quality = 0.577, support = 0.771, residual support = 0.965: HB2 PRO 112 - HN ASP- 36 7.692% * 37.1115% (0.67 0.75 1.41) = 37.112% kept HG2 PRO 112 - HN ASP- 36 7.692% * 30.6760% (0.33 1.27 1.41) = 30.676% kept HB2 PRO 116 - HN ASP- 36 7.692% * 23.8210% (0.76 0.42 0.02) = 23.821% kept HB ILE 29 - HN ASP- 36 7.692% * 1.4637% (0.99 0.02 0.02) = 1.464% kept HB2 LEU 23 - HN ASP- 36 7.692% * 1.4475% (0.98 0.02 0.02) = 1.448% kept HD3 LYS+ 63 - HN ASP- 36 7.692% * 1.1825% (0.80 0.02 0.02) = 1.183% kept HB2 GLU- 10 - HN ASP- 36 7.692% * 1.1286% (0.76 0.02 0.02) = 1.129% kept HB3 GLN 102 - HN ASP- 36 7.692% * 0.8957% (0.61 0.02 0.02) = 0.896% HB2 GLU- 75 - HN ASP- 36 7.692% * 0.6621% (0.45 0.02 0.02) = 0.662% HB3 ARG+ 53 - HN ASP- 36 7.692% * 0.5037% (0.34 0.02 0.02) = 0.504% HB3 LYS+ 55 - HN ASP- 36 7.692% * 0.4106% (0.28 0.02 0.02) = 0.411% HG3 PRO 31 - HN ASP- 36 7.692% * 0.3682% (0.25 0.02 0.02) = 0.368% HB3 CYS 123 - HN ASP- 36 7.692% * 0.3288% (0.22 0.02 0.02) = 0.329% Reference assignment not found: HB2 PRO 35 - HN ASP- 36 Peak 90 (2.10, 8.88, 126.48 ppm): 14 chemical-shift based assignments, quality = 0.826, support = 0.952, residual support = 0.957: HG2 PRO 112 - HN ASP- 36 7.143% * 67.2768% (0.84 1.27 1.41) = 67.277% kept HB3 GLU- 75 - HN ASP- 36 7.143% * 24.0874% (0.98 0.39 0.02) = 24.087% kept HB3 LEU 43 - HN ASP- 36 7.143% * 1.1833% (0.94 0.02 0.02) = 1.183% kept HB VAL 65 - HN ASP- 36 7.143% * 1.1547% (0.92 0.02 0.02) = 1.155% kept HB2 MET 118 - HN ASP- 36 7.143% * 0.9560% (0.76 0.02 0.02) = 0.956% HB VAL 87 - HN ASP- 36 7.143% * 0.9560% (0.76 0.02 0.02) = 0.956% HB2 GLU- 56 - HN ASP- 36 7.143% * 0.9083% (0.73 0.02 0.02) = 0.908% HB VAL 125 - HN ASP- 36 7.143% * 0.7587% (0.61 0.02 0.21) = 0.759% HB2 LYS+ 110 - HN ASP- 36 7.143% * 0.6581% (0.53 0.02 0.02) = 0.658% HB VAL 105 - HN ASP- 36 7.143% * 0.6089% (0.49 0.02 0.02) = 0.609% HD3 LYS+ 110 - HN ASP- 36 7.143% * 0.5608% (0.45 0.02 0.02) = 0.561% HG2 GLU- 45 - HN ASP- 36 7.143% * 0.3861% (0.31 0.02 0.02) = 0.386% HG2 GLN 16 - HN ASP- 36 7.143% * 0.3119% (0.25 0.02 0.02) = 0.312% HB3 LYS+ 120 - HN ASP- 36 7.143% * 0.1930% (0.15 0.02 0.02) = 0.193% Peak 91 (4.26, 8.78, 126.61 ppm): 21 chemical-shift based assignments, quality = 0.766, support = 3.93, residual support = 20.3: * O HA VAL 94 - HN THR 95 4.762% * 90.0140% (0.76 10.0 4.22 22.32) = 90.014% kept HA GLU- 56 - HN THR 95 4.762% * 8.4749% (0.96 1.0 1.49 2.82) = 8.475% kept HA PRO 59 - HN THR 95 4.762% * 0.2907% (0.48 1.0 0.10 0.02) = 0.291% HA GLU- 64 - HN THR 95 4.762% * 0.1178% (1.00 1.0 0.02 0.02) = 0.118% HA GLU- 75 - HN THR 95 4.762% * 0.1175% (0.99 1.0 0.02 0.02) = 0.118% HA ASN 119 - HN THR 95 4.762% * 0.0984% (0.83 1.0 0.02 0.02) = 0.098% HA GLU- 107 - HN THR 95 4.762% * 0.0984% (0.83 1.0 0.02 0.02) = 0.098% HA SER 85 - HN THR 95 4.762% * 0.0943% (0.80 1.0 0.02 0.02) = 0.094% HA ARG+ 84 - HN THR 95 4.762% * 0.0943% (0.80 1.0 0.02 0.02) = 0.094% HA ASN 76 - HN THR 95 4.762% * 0.0943% (0.80 1.0 0.02 0.02) = 0.094% HA PRO 52 - HN THR 95 4.762% * 0.0943% (0.80 1.0 0.02 0.02) = 0.094% HA ALA 11 - HN THR 95 4.762% * 0.0855% (0.72 1.0 0.02 0.02) = 0.086% HA VAL 122 - HN THR 95 4.762% * 0.0667% (0.56 1.0 0.02 0.02) = 0.067% HA LEU 90 - HN THR 95 4.762% * 0.0573% (0.48 1.0 0.02 0.02) = 0.057% HB3 CYS 121 - HN THR 95 4.762% * 0.0364% (0.31 1.0 0.02 0.02) = 0.036% HA GLU- 10 - HN THR 95 4.762% * 0.0294% (0.25 1.0 0.02 0.02) = 0.029% HA LYS+ 108 - HN THR 95 4.762% * 0.0294% (0.25 1.0 0.02 0.02) = 0.029% HA GLU- 54 - HN THR 95 4.762% * 0.0294% (0.25 1.0 0.02 0.02) = 0.029% HB3 SER 49 - HN THR 95 4.762% * 0.0276% (0.23 1.0 0.02 0.02) = 0.028% HA THR 106 - HN THR 95 4.762% * 0.0262% (0.22 1.0 0.02 0.02) = 0.026% HA CYS 121 - HN THR 95 4.762% * 0.0233% (0.20 1.0 0.02 0.02) = 0.023% Peak 92 (8.77, 8.78, 126.61 ppm): 1 diagonal assignment: * HN THR 95 - HN THR 95 (0.86) kept Peak 93 (3.99, 8.78, 126.61 ppm): 3 chemical-shift based assignments, quality = 0.56, support = 4.41, residual support = 29.6: * O HB THR 95 - HN THR 95 33.333% * 98.7891% (0.56 10.0 4.46 30.01) = 98.789% kept HA THR 38 - HN THR 95 33.333% * 1.0364% (0.37 1.0 0.32 0.02) = 1.036% kept HA1 GLY 92 - HN THR 95 33.333% * 0.1745% (1.00 1.0 0.02 0.02) = 0.174% Peak 94 (0.67, 8.78, 126.61 ppm): 7 chemical-shift based assignments, quality = 0.439, support = 4.53, residual support = 27.8: HG12 ILE 19 - HN THR 95 14.286% * 35.3892% (0.45 4.95 33.75) = 35.389% kept * QG2 VAL 94 - HN THR 95 14.286% * 30.8233% (0.41 4.71 22.32) = 30.823% kept QD1 ILE 19 - HN THR 95 14.286% * 26.5923% (0.34 4.89 33.75) = 26.592% kept QG2 ILE 48 - HN THR 95 14.286% * 5.7683% (0.94 0.38 0.02) = 5.768% kept QG1 VAL 62 - HN THR 95 14.286% * 1.1716% (0.92 0.08 0.02) = 1.172% kept QG2 ILE 68 - HN THR 95 14.286% * 0.1310% (0.41 0.02 0.02) = 0.131% QG2 ILE 101 - HN THR 95 14.286% * 0.1242% (0.39 0.02 0.02) = 0.124% Peak 95 (1.07, 8.78, 126.61 ppm): 1 chemical-shift based assignment, quality = 0.604, support = 4.82, residual support = 30.0: * QG2 THR 95 - HN THR 95 100.000% *100.0000% (0.60 4.82 30.01) = 100.000% kept Peak 96 (4.86, 8.78, 126.61 ppm): 3 chemical-shift based assignments, quality = 0.623, support = 3.39, residual support = 24.0: HA THR 96 - HN THR 95 33.333% * 48.7662% (0.68 3.22 17.52) = 48.766% kept * HA ILE 19 - HN THR 95 33.333% * 45.8822% (0.52 3.95 33.75) = 45.882% kept HA ASP- 115 - HN THR 95 33.333% * 5.3517% (0.92 0.26 0.02) = 5.352% kept Peak 97 (4.40, 8.78, 126.61 ppm): 14 chemical-shift based assignments, quality = 0.977, support = 4.34, residual support = 28.7: * O HA THR 95 - HN THR 95 7.143% * 95.7761% (0.99 10.0 4.51 30.01) = 95.776% kept HA ASN 57 - HN THR 95 7.143% * 2.6439% (0.99 1.0 0.56 0.02) = 2.644% kept HA PRO 116 - HN THR 95 7.143% * 0.9892% (0.83 1.0 0.25 0.02) = 0.989% HA PRO 104 - HN THR 95 7.143% * 0.0951% (0.99 1.0 0.02 0.02) = 0.095% HA PRO 112 - HN THR 95 7.143% * 0.0861% (0.89 1.0 0.02 0.02) = 0.086% HA PRO 86 - HN THR 95 7.143% * 0.0734% (0.76 1.0 0.02 0.02) = 0.073% HA SER 88 - HN THR 95 7.143% * 0.0697% (0.72 1.0 0.02 0.02) = 0.070% HA ALA 91 - HN THR 95 7.143% * 0.0582% (0.60 1.0 0.02 0.02) = 0.058% HA HIS+ 14 - HN THR 95 7.143% * 0.0582% (0.60 1.0 0.02 0.02) = 0.058% HA SER 27 - HN THR 95 7.143% * 0.0360% (0.37 1.0 0.02 0.02) = 0.036% HA LYS+ 66 - HN THR 95 7.143% * 0.0360% (0.37 1.0 0.02 0.90) = 0.036% HA ALA 37 - HN THR 95 7.143% * 0.0327% (0.34 1.0 0.02 0.02) = 0.033% HA LYS+ 60 - HN THR 95 7.143% * 0.0239% (0.25 1.0 0.02 0.02) = 0.024% HA TRP 51 - HN THR 95 7.143% * 0.0214% (0.22 1.0 0.02 0.02) = 0.021% Peak 98 (1.84, 8.78, 126.61 ppm): 11 chemical-shift based assignments, quality = 0.655, support = 3.14, residual support = 15.3: * HB VAL 94 - HN THR 95 9.091% * 67.8741% (0.56 4.45 22.32) = 67.874% kept HB2 LYS+ 66 - HN THR 95 9.091% * 14.2836% (0.99 0.53 0.90) = 14.284% kept HB3 LYS+ 60 - HN THR 95 9.091% * 8.0085% (0.86 0.34 0.02) = 8.009% kept HB3 LYS+ 72 - HN THR 95 9.091% * 4.3761% (0.83 0.19 0.02) = 4.376% kept HB2 PRO 59 - HN THR 95 9.091% * 2.1872% (0.80 0.10 0.02) = 2.187% kept HD2 PRO 59 - HN THR 95 9.091% * 1.4371% (0.52 0.10 0.02) = 1.437% kept HD3 LYS+ 72 - HN THR 95 9.091% * 0.9642% (0.20 0.18 0.02) = 0.964% HB2 PRO 104 - HN THR 95 9.091% * 0.4314% (0.80 0.02 0.02) = 0.431% HD3 LYS+ 117 - HN THR 95 9.091% * 0.1838% (0.34 0.02 0.02) = 0.184% HG3 LYS+ 108 - HN THR 95 9.091% * 0.1663% (0.31 0.02 0.02) = 0.166% HG2 PRO 112 - HN THR 95 9.091% * 0.0878% (0.16 0.02 0.02) = 0.088% Peak 99 (4.05, 8.35, 126.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 100 (0.86, 8.35, 126.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 101 (8.33, 8.35, 126.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 102 (7.86, 7.85, 126.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 104 (4.06, 8.31, 126.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 105 (8.30, 8.31, 126.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 106 (1.78, 8.31, 126.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 107 (0.84, 8.31, 126.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 108 (4.37, 8.28, 126.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 109 (1.39, 8.28, 126.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 110 (4.12, 8.47, 126.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 111 (8.47, 8.47, 126.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 112 (7.76, 7.75, 125.98 ppm): 2 diagonal assignments: * HN VAL 125 - HN VAL 125 (0.81) kept HN SER 124 - HN SER 124 (0.79) kept Peak 113 (3.88, 7.75, 125.98 ppm): 20 chemical-shift based assignments, quality = 0.748, support = 0.695, residual support = 0.463: HD3 PRO 35 - HN VAL 125 5.000% * 44.5281% (0.85 0.86 0.61) = 44.528% kept HD3 PRO 35 - HN SER 124 5.000% * 38.5271% (0.81 0.79 0.49) = 38.527% kept HA GLU- 45 - HN VAL 125 5.000% * 3.6848% (0.68 0.09 0.02) = 3.685% kept HA GLU- 45 - HN SER 124 5.000% * 3.4915% (0.65 0.09 0.02) = 3.491% kept HD2 PRO 116 - HN VAL 125 5.000% * 1.0205% (0.84 0.02 0.02) = 1.021% kept HD2 PRO 86 - HN VAL 125 5.000% * 0.9937% (0.82 0.02 0.02) = 0.994% HD2 PRO 116 - HN SER 124 5.000% * 0.9708% (0.80 0.02 0.02) = 0.971% HD2 PRO 86 - HN SER 124 5.000% * 0.9452% (0.78 0.02 0.02) = 0.945% HB3 SER 27 - HN VAL 125 5.000% * 0.7869% (0.65 0.02 0.02) = 0.787% HB3 SER 27 - HN SER 124 5.000% * 0.7485% (0.62 0.02 0.02) = 0.749% HA2 GLY 114 - HN VAL 125 5.000% * 0.5417% (0.45 0.02 0.02) = 0.542% HB3 SER 77 - HN VAL 125 5.000% * 0.5417% (0.45 0.02 0.02) = 0.542% HB3 SER 77 - HN SER 124 5.000% * 0.5153% (0.43 0.02 0.02) = 0.515% HA2 GLY 114 - HN SER 124 5.000% * 0.5153% (0.43 0.02 0.02) = 0.515% HB2 SER 85 - HN VAL 125 5.000% * 0.5012% (0.41 0.02 0.02) = 0.501% HB2 SER 85 - HN SER 124 5.000% * 0.4767% (0.39 0.02 0.02) = 0.477% HB3 SER 88 - HN VAL 125 5.000% * 0.4616% (0.38 0.02 0.02) = 0.462% HB3 SER 88 - HN SER 124 5.000% * 0.4391% (0.36 0.02 0.02) = 0.439% HB2 SER 77 - HN VAL 125 5.000% * 0.1589% (0.13 0.02 0.02) = 0.159% HB2 SER 77 - HN SER 124 5.000% * 0.1511% (0.12 0.02 0.02) = 0.151% Peak 114 (8.36, 8.38, 125.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 115 (0.83, 8.38, 125.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 116 (7.75, 7.77, 125.85 ppm): 2 diagonal assignments: HN VAL 125 - HN VAL 125 (0.66) kept HN SER 124 - HN SER 124 (0.64) kept Peak 117 (4.48, 7.77, 125.85 ppm): 18 chemical-shift based assignments, quality = 0.65, support = 0.961, residual support = 0.914: O HA CYS 123 - HN SER 124 5.556% * 95.5816% (0.67 10.0 1.00 0.96) = 95.582% kept HA CYS 123 - HN VAL 125 5.556% * 2.1456% (0.63 1.0 0.24 0.02) = 2.146% kept HA LYS+ 32 - HN SER 124 5.556% * 0.2340% (0.82 1.0 0.02 0.02) = 0.234% HA LYS+ 32 - HN VAL 125 5.556% * 0.2215% (0.77 1.0 0.02 0.02) = 0.221% HA MET 126 - HN SER 124 5.556% * 0.2071% (0.72 1.0 0.02 0.02) = 0.207% HA MET 126 - HN VAL 125 5.556% * 0.1960% (0.68 1.0 0.02 0.02) = 0.196% HA SER 77 - HN SER 124 5.556% * 0.1912% (0.67 1.0 0.02 0.02) = 0.191% HA SER 77 - HN VAL 125 5.556% * 0.1809% (0.63 1.0 0.02 0.02) = 0.181% HA ILE 100 - HN SER 124 5.556% * 0.1640% (0.57 1.0 0.02 0.02) = 0.164% HA GLN 102 - HN SER 124 5.556% * 0.1640% (0.57 1.0 0.02 0.02) = 0.164% HA ILE 100 - HN VAL 125 5.556% * 0.1552% (0.54 1.0 0.02 0.02) = 0.155% HA GLN 102 - HN VAL 125 5.556% * 0.1552% (0.54 1.0 0.02 0.02) = 0.155% HB THR 79 - HN SER 124 5.556% * 0.1070% (0.37 1.0 0.02 0.02) = 0.107% HB THR 79 - HN VAL 125 5.556% * 0.1013% (0.35 1.0 0.02 0.02) = 0.101% HA LYS+ 55 - HN SER 124 5.556% * 0.0532% (0.19 1.0 0.02 0.02) = 0.053% HA LYS+ 55 - HN VAL 125 5.556% * 0.0503% (0.18 1.0 0.02 0.02) = 0.050% HA GLU- 50 - HN SER 124 5.556% * 0.0472% (0.16 1.0 0.02 0.02) = 0.047% HA GLU- 50 - HN VAL 125 5.556% * 0.0447% (0.16 1.0 0.02 0.02) = 0.045% Peak 118 (0.84, 8.30, 125.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 119 (1.57, 8.30, 125.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 120 (4.10, 8.35, 125.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 121 (8.33, 8.35, 125.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 122 (1.69, 8.35, 125.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 123 (8.59, 8.60, 125.48 ppm): 1 diagonal assignment: * HN LYS+ 20 - HN LYS+ 20 (0.90) kept Peak 124 (4.88, 8.60, 125.48 ppm): 3 chemical-shift based assignments, quality = 0.903, support = 5.16, residual support = 44.2: * O HA ILE 19 - HN LYS+ 20 33.333% * 97.1013% (0.92 10.0 5.26 45.44) = 97.101% kept HA THR 96 - HN LYS+ 20 33.333% * 2.8433% (0.28 1.0 1.94 1.81) = 2.843% kept HA ASP- 115 - HN LYS+ 20 33.333% * 0.0553% (0.53 1.0 0.02 0.02) = 0.055% Peak 125 (0.01, 8.60, 125.48 ppm): 1 chemical-shift based assignment, quality = 0.525, support = 6.73, residual support = 45.4: * QG2 ILE 19 - HN LYS+ 20 100.000% *100.0000% (0.53 6.73 45.44) = 100.000% kept Peak 126 (0.67, 8.60, 125.48 ppm): 8 chemical-shift based assignments, quality = 0.622, support = 4.83, residual support = 34.2: * HG12 ILE 19 - HN LYS+ 20 12.500% * 38.8322% (0.65 5.55 45.44) = 38.832% kept QD1 ILE 19 - HN LYS+ 20 12.500% * 34.8451% (0.53 6.12 45.44) = 34.845% kept QG2 VAL 94 - HN LYS+ 20 12.500% * 17.7025% (0.61 2.70 4.01) = 17.702% kept QG1 VAL 62 - HN LYS+ 20 12.500% * 8.1366% (1.00 0.75 0.76) = 8.137% kept QG2 ILE 48 - HN LYS+ 20 12.500% * 0.2107% (0.97 0.02 0.02) = 0.211% QG2 ILE 68 - HN LYS+ 20 12.500% * 0.1313% (0.61 0.02 0.02) = 0.131% QG2 ILE 101 - HN LYS+ 20 12.500% * 0.1083% (0.50 0.02 0.02) = 0.108% QG1 VAL 65 - HN LYS+ 20 12.500% * 0.0334% (0.15 0.02 0.02) = 0.033% Peak 127 (1.35, 8.60, 125.48 ppm): 7 chemical-shift based assignments, quality = 0.736, support = 3.94, residual support = 29.6: * O HB3 LYS+ 20 - HN LYS+ 20 14.286% * 86.5380% (0.73 10.0 4.23 34.11) = 86.538% kept HB3 LEU 17 - HN LYS+ 20 14.286% * 11.8765% (0.90 1.0 2.22 1.08) = 11.876% kept HB2 ARG+ 22 - HN LYS+ 20 14.286% * 1.3174% (0.17 1.0 1.26 0.25) = 1.317% kept HG3 LYS+ 81 - HN LYS+ 20 14.286% * 0.1150% (0.96 1.0 0.02 0.02) = 0.115% QB ALA 11 - HN LYS+ 20 14.286% * 0.0819% (0.69 1.0 0.02 0.02) = 0.082% HG2 LYS+ 78 - HN LYS+ 20 14.286% * 0.0447% (0.37 1.0 0.02 0.02) = 0.045% QG2 THR 39 - HN LYS+ 20 14.286% * 0.0265% (0.22 1.0 0.02 0.50) = 0.027% Peak 128 (4.83, 8.60, 125.48 ppm): 4 chemical-shift based assignments, quality = 0.653, support = 2.21, residual support = 1.27: HA GLU- 18 - HN LYS+ 20 25.000% * 65.7544% (0.73 2.70 1.34) = 65.754% kept HB THR 39 - HN LYS+ 20 25.000% * 17.7776% (0.76 0.69 0.50) = 17.778% kept * HA THR 96 - HN LYS+ 20 25.000% * 16.2609% (0.25 1.94 1.81) = 16.261% kept HA LEU 23 - HN LYS+ 20 25.000% * 0.2070% (0.31 0.02 0.25) = 0.207% Peak 129 (1.02, 8.60, 125.48 ppm): 2 chemical-shift based assignments, quality = 0.59, support = 3.19, residual support = 25.1: * HG3 LYS+ 20 - HN LYS+ 20 50.000% * 72.7961% (0.53 4.00 34.11) = 72.796% kept QG1 VAL 99 - HN LYS+ 20 50.000% * 27.2039% (0.76 1.03 1.04) = 27.204% kept Peak 130 (4.65, 8.60, 125.48 ppm): 4 chemical-shift based assignments, quality = 0.564, support = 0.0584, residual support = 0.02: HA PRO 35 - HN LYS+ 20 25.000% * 62.3332% (0.53 0.08 0.02) = 62.333% kept HA LYS+ 120 - HN LYS+ 20 25.000% * 24.2348% (0.83 0.02 0.02) = 24.235% kept HA TYR 83 - HN LYS+ 20 25.000% * 8.9552% (0.31 0.02 0.02) = 8.955% kept HA ASN 89 - HN LYS+ 20 25.000% * 4.4768% (0.15 0.02 0.02) = 4.477% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 131 (7.94, 7.94, 125.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 132 (4.52, 7.94, 125.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 133 (5.25, 8.94, 125.29 ppm): 1 chemical-shift based assignment, quality = 0.411, support = 3.4, residual support = 20.2: * O HA PHE 21 - HN ARG+ 22 100.000% *100.0000% (0.41 10.0 3.40 20.17) = 100.000% kept Peak 135 (0.94, 8.94, 125.29 ppm): 10 chemical-shift based assignments, quality = 0.821, support = 1.6, residual support = 6.54: QG2 ILE 29 - HN ARG+ 22 10.000% * 26.3419% (0.73 2.72 20.80) = 26.342% kept QG1 VAL 105 - HN ARG+ 22 10.000% * 20.6251% (1.00 1.55 0.40) = 20.625% kept QG2 VAL 105 - HN ARG+ 22 10.000% * 15.3755% (0.98 1.18 0.40) = 15.375% kept QG2 VAL 62 - HN ARG+ 22 10.000% * 11.0553% (0.87 0.96 0.10) = 11.055% kept * QG2 VAL 99 - HN ARG+ 22 10.000% * 9.7481% (0.34 2.14 9.22) = 9.748% kept QD1 LEU 17 - HN ARG+ 22 10.000% * 7.9102% (0.99 0.60 0.02) = 7.910% kept HG12 ILE 68 - HN ARG+ 22 10.000% * 3.6351% (0.80 0.34 0.02) = 3.635% kept QG2 VAL 80 - HN ARG+ 22 10.000% * 2.3674% (0.61 0.29 0.02) = 2.367% kept HG3 LYS+ 110 - HN ARG+ 22 10.000% * 1.4926% (0.73 0.15 0.02) = 1.493% kept QG2 VAL 73 - HN ARG+ 22 10.000% * 1.4488% (0.76 0.14 0.02) = 1.449% kept Peak 136 (0.72, 8.94, 125.29 ppm): 10 chemical-shift based assignments, quality = 0.699, support = 1.1, residual support = 1.65: QG2 ILE 101 - HN ARG+ 22 10.000% * 42.1927% (0.67 1.72 3.44) = 42.193% kept QG2 ILE 48 - HN ARG+ 22 10.000% * 27.4218% (0.73 1.02 0.71) = 27.422% kept QD1 ILE 68 - HN ARG+ 22 10.000% * 11.3605% (0.92 0.33 0.02) = 11.361% kept QG2 VAL 65 - HN ARG+ 22 10.000% * 8.0294% (0.87 0.25 0.02) = 8.029% kept QG2 THR 96 - HN ARG+ 22 10.000% * 7.1915% (0.45 0.44 0.02) = 7.191% kept HG3 LYS+ 66 - HN ARG+ 22 10.000% * 1.7754% (0.61 0.08 0.02) = 1.775% kept QG1 VAL 40 - HN ARG+ 22 10.000% * 0.6969% (0.95 0.02 0.02) = 0.697% HG LEU 74 - HN ARG+ 22 10.000% * 0.6801% (0.92 0.02 0.02) = 0.680% HG3 LYS+ 44 - HN ARG+ 22 10.000% * 0.4469% (0.61 0.02 0.02) = 0.447% QG1 VAL 65 - HN ARG+ 22 10.000% * 0.2048% (0.28 0.02 0.02) = 0.205% Peak 137 (5.18, 8.94, 125.29 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 5.34, residual support = 99.7: * O HA ARG+ 22 - HN ARG+ 22 100.000% *100.0000% (0.73 10.0 5.34 99.72) = 100.000% kept Peak 138 (8.29, 8.94, 125.29 ppm): 4 chemical-shift based assignments, quality = 0.437, support = 3.42, residual support = 7.36: * T HN VAL 99 - HN ARG+ 22 25.000% * 69.9884% (0.22 10.00 4.42 9.22) = 69.988% kept HN ASP- 28 - HN ARG+ 22 25.000% * 21.5410% (1.00 1.00 1.37 4.21) = 21.541% kept HN ASN 89 - HN ARG+ 22 25.000% * 5.6243% (0.80 1.00 0.45 0.02) = 5.624% kept HN ALA 91 - HN ARG+ 22 25.000% * 2.8464% (0.73 1.00 0.25 0.02) = 2.846% kept Peak 140 (1.31, 8.94, 125.29 ppm): 4 chemical-shift based assignments, quality = 0.735, support = 5.2, residual support = 94.4: * O HB2 ARG+ 22 - HN ARG+ 22 25.000% * 94.6168% (0.73 10.0 5.45 99.72) = 94.617% kept QG2 THR 46 - HN ARG+ 22 25.000% * 4.5673% (0.95 1.0 0.74 0.02) = 4.567% kept QB ALA 103 - HN ARG+ 22 25.000% * 0.7695% (0.62 1.0 0.19 0.02) = 0.769% HB2 LYS+ 55 - HN ARG+ 22 25.000% * 0.0465% (0.36 1.0 0.02 0.02) = 0.046% Peak 141 (1.13, 8.19, 125.39 ppm): 5 chemical-shift based assignments, quality = 0.764, support = 3.68, residual support = 11.9: * O QB ALA 33 - HN ALA 33 20.000% * 71.5379% (0.69 10.0 3.13 10.11) = 71.538% kept HG3 LYS+ 32 - HN ALA 33 20.000% * 27.3915% (1.00 1.0 5.27 17.00) = 27.391% kept QG2 THR 61 - HN ALA 33 20.000% * 0.9519% (0.61 1.0 0.30 0.02) = 0.952% HD3 LYS+ 111 - HN ALA 33 20.000% * 0.1005% (0.96 1.0 0.02 0.02) = 0.101% HG3 PRO 59 - HN ALA 33 20.000% * 0.0182% (0.17 1.0 0.02 0.02) = 0.018% Peak 142 (4.47, 8.19, 125.39 ppm): 8 chemical-shift based assignments, quality = 0.792, support = 3.76, residual support = 16.8: * O HA LYS+ 32 - HN ALA 33 12.500% * 99.0375% (0.80 10.0 3.80 17.00) = 99.037% kept HA GLN 102 - HN ALA 33 12.500% * 0.5100% (1.00 1.0 0.08 1.76) = 0.510% HA ILE 100 - HN ALA 33 12.500% * 0.1237% (1.00 1.0 0.02 0.02) = 0.124% HA MET 126 - HN ALA 33 12.500% * 0.1170% (0.94 1.0 0.02 0.02) = 0.117% HA GLU- 50 - HN ALA 33 12.500% * 0.0800% (0.65 1.0 0.02 0.02) = 0.080% HA MET 118 - HN ALA 33 12.500% * 0.0555% (0.45 1.0 0.02 0.02) = 0.055% HA SER 77 - HN ALA 33 12.500% * 0.0382% (0.31 1.0 0.02 0.02) = 0.038% HA CYS 123 - HN ALA 33 12.500% * 0.0382% (0.31 1.0 0.02 0.02) = 0.038% Peak 143 (1.58, 8.19, 125.39 ppm): 12 chemical-shift based assignments, quality = 0.663, support = 3.58, residual support = 14.3: * HB3 LYS+ 32 - HN ALA 33 8.333% * 64.1999% (0.73 4.43 17.00) = 64.200% kept HD3 LYS+ 32 - HN ALA 33 8.333% * 17.9401% (0.25 3.60 17.00) = 17.940% kept HB ILE 19 - HN ALA 33 8.333% * 12.2762% (0.92 0.67 2.65) = 12.276% kept HG LEU 17 - HN ALA 33 8.333% * 3.0802% (0.90 0.17 0.69) = 3.080% kept HD3 LYS+ 60 - HN ALA 33 8.333% * 1.3722% (0.83 0.08 0.02) = 1.372% kept HD3 LYS+ 81 - HN ALA 33 8.333% * 0.3051% (0.76 0.02 0.02) = 0.305% QB ALA 42 - HN ALA 33 8.333% * 0.1943% (0.49 0.02 0.02) = 0.194% HG12 ILE 29 - HN ALA 33 8.333% * 0.1943% (0.49 0.02 0.02) = 0.194% HB3 LEU 90 - HN ALA 33 8.333% * 0.1641% (0.41 0.02 0.02) = 0.164% HG13 ILE 29 - HN ALA 33 8.333% * 0.1232% (0.31 0.02 0.02) = 0.123% QG2 THR 24 - HN ALA 33 8.333% * 0.0889% (0.22 0.02 0.02) = 0.089% HB3 PRO 52 - HN ALA 33 8.333% * 0.0616% (0.15 0.02 0.02) = 0.062% Peak 144 (8.19, 8.19, 125.39 ppm): 1 diagonal assignment: * HN ALA 33 - HN ALA 33 (0.94) kept Peak 145 (4.92, 8.19, 125.39 ppm): 3 chemical-shift based assignments, quality = 0.522, support = 2.84, residual support = 9.95: O HA ALA 33 - HN ALA 33 33.333% * 98.3911% (0.53 10.0 2.88 10.11) = 98.391% kept HA ILE 101 - HN ALA 33 33.333% * 1.5836% (0.34 1.0 0.50 0.23) = 1.584% kept HA HIS+ 98 - HN ALA 33 33.333% * 0.0253% (0.14 1.0 0.02 0.02) = 0.025% Peak 146 (1.28, 8.19, 125.39 ppm): 6 chemical-shift based assignments, quality = 0.666, support = 3.33, residual support = 14.9: * HG2 LYS+ 32 - HN ALA 33 16.667% * 87.6362% (0.65 3.77 17.00) = 87.636% kept HG13 ILE 101 - HN ALA 33 16.667% * 10.1150% (0.99 0.28 0.23) = 10.115% kept HG2 LYS+ 81 - HN ALA 33 16.667% * 0.6940% (0.96 0.02 0.02) = 0.694% HB3 LEU 74 - HN ALA 33 16.667% * 0.6007% (0.83 0.02 0.02) = 0.601% HB2 LYS+ 55 - HN ALA 33 16.667% * 0.5758% (0.80 0.02 0.02) = 0.576% QB ALA 103 - HN ALA 33 16.667% * 0.3783% (0.53 0.02 0.02) = 0.378% Peak 147 (8.78, 8.19, 125.39 ppm): 4 chemical-shift based assignments, quality = 0.495, support = 3.2, residual support = 7.78: * HN PHE 34 - HN ALA 33 25.000% * 97.2908% (0.49 3.29 8.00) = 97.291% kept HN THR 95 - HN ALA 33 25.000% * 1.2124% (1.00 0.02 0.02) = 1.212% kept HN SER 69 - HN ALA 33 25.000% * 1.1217% (0.92 0.02 0.02) = 1.122% kept HN VAL 62 - HN ALA 33 25.000% * 0.3750% (0.31 0.02 0.02) = 0.375% Peak 153 (4.27, 8.29, 124.59 ppm): 19 chemical-shift based assignments, quality = 0.805, support = 2.96, residual support = 14.4: * O HA LEU 90 - HN ALA 91 5.263% * 95.0564% (0.82 10.0 3.09 15.11) = 95.056% kept HA PRO 52 - HN ALA 91 5.263% * 2.5119% (0.91 1.0 0.48 0.50) = 2.512% kept HA ALA 11 - HN ALA 91 5.263% * 1.0328% (0.28 1.0 0.63 0.32) = 1.033% kept HB3 SER 49 - HN ALA 91 5.263% * 0.3474% (0.16 1.0 0.37 0.02) = 0.347% HA VAL 94 - HN ALA 91 5.263% * 0.1060% (0.91 1.0 0.02 0.02) = 0.106% HA ARG+ 84 - HN ALA 91 5.263% * 0.1058% (0.91 1.0 0.02 0.02) = 0.106% HA SER 85 - HN ALA 91 5.263% * 0.1058% (0.91 1.0 0.02 0.02) = 0.106% HA VAL 122 - HN ALA 91 5.263% * 0.1003% (0.86 1.0 0.02 0.02) = 0.100% HA GLU- 56 - HN ALA 91 5.263% * 0.0951% (0.82 1.0 0.02 0.02) = 0.095% HA GLU- 64 - HN ALA 91 5.263% * 0.0810% (0.70 1.0 0.02 0.02) = 0.081% HB3 CYS 121 - HN ALA 91 5.263% * 0.0770% (0.66 1.0 0.02 0.02) = 0.077% HA GLU- 75 - HN ALA 91 5.263% * 0.0770% (0.66 1.0 0.02 0.12) = 0.077% HA THR 106 - HN ALA 91 5.263% * 0.0643% (0.55 1.0 0.02 0.02) = 0.064% HA CYS 121 - HN ALA 91 5.263% * 0.0600% (0.52 1.0 0.02 0.02) = 0.060% HA ASN 119 - HN ALA 91 5.263% * 0.0436% (0.38 1.0 0.02 0.02) = 0.044% HA GLU- 107 - HN ALA 91 5.263% * 0.0436% (0.38 1.0 0.02 0.02) = 0.044% HA ASN 76 - HN ALA 91 5.263% * 0.0398% (0.34 1.0 0.02 0.02) = 0.040% HA ASP- 36 - HN ALA 91 5.263% * 0.0362% (0.31 1.0 0.02 0.02) = 0.036% HA PRO 59 - HN ALA 91 5.263% * 0.0164% (0.14 1.0 0.02 0.02) = 0.016% Peak 154 (1.35, 8.29, 124.59 ppm): 6 chemical-shift based assignments, quality = 0.53, support = 1.35, residual support = 0.397: HB3 LEU 17 - HN ALA 91 16.667% * 36.2825% (0.59 1.61 0.47) = 36.283% kept QB ALA 11 - HN ALA 91 16.667% * 24.9254% (0.38 1.74 0.32) = 24.925% kept HG3 LYS+ 81 - HN ALA 91 16.667% * 23.4951% (0.70 0.88 0.52) = 23.495% kept HB3 LYS+ 20 - HN ALA 91 16.667% * 13.4500% (0.41 0.86 0.18) = 13.450% kept HG2 LYS+ 78 - HN ALA 91 16.667% * 1.5859% (0.16 0.26 0.11) = 1.586% kept HB2 ARG+ 22 - HN ALA 91 16.667% * 0.2611% (0.34 0.02 0.02) = 0.261% Reference assignment not found: QB ALA 91 - HN ALA 91 Peak 155 (1.55, 8.29, 124.59 ppm): 9 chemical-shift based assignments, quality = 0.768, support = 1.84, residual support = 7.75: * HB3 LEU 90 - HN ALA 91 11.111% * 50.7709% (0.84 2.98 15.11) = 50.771% kept QB ALA 42 - HN ALA 91 11.111% * 11.8707% (0.79 0.74 0.02) = 11.871% kept HG13 ILE 29 - HN ALA 91 11.111% * 10.8918% (0.90 0.60 0.11) = 10.892% kept HG12 ILE 29 - HN ALA 91 11.111% * 9.8395% (0.79 0.62 0.11) = 9.839% kept HG LEU 17 - HN ALA 91 11.111% * 6.9537% (0.41 0.84 0.47) = 6.954% kept HB ILE 19 - HN ALA 91 11.111% * 5.0747% (0.38 0.67 0.02) = 5.075% kept HD3 LYS+ 81 - HN ALA 91 11.111% * 4.0360% (0.55 0.36 0.52) = 4.036% kept QG2 THR 24 - HN ALA 91 11.111% * 0.3687% (0.91 0.02 0.02) = 0.369% HD3 LYS+ 60 - HN ALA 91 11.111% * 0.1940% (0.48 0.02 0.02) = 0.194% Peak 156 (0.84, 8.29, 124.59 ppm): 9 chemical-shift based assignments, quality = 0.352, support = 1.88, residual support = 9.92: * QD1 LEU 90 - HN ALA 91 11.111% * 38.9168% (0.31 2.45 15.11) = 38.917% kept QD2 LEU 90 - HN ALA 91 11.111% * 26.3313% (0.18 2.85 15.11) = 26.331% kept QD1 ILE 29 - HN ALA 91 11.111% * 19.4068% (0.70 0.54 0.11) = 19.407% kept QD2 LEU 17 - HN ALA 91 11.111% * 9.3582% (0.25 0.72 0.47) = 9.358% kept QG1 VAL 13 - HN ALA 91 11.111% * 3.4377% (0.70 0.10 0.02) = 3.438% kept QG2 VAL 13 - HN ALA 91 11.111% * 0.9246% (0.91 0.02 0.02) = 0.925% HG2 LYS+ 117 - HN ALA 91 11.111% * 0.8825% (0.86 0.02 0.02) = 0.882% QG1 VAL 94 - HN ALA 91 11.111% * 0.4541% (0.44 0.02 0.02) = 0.454% QG2 ILE 100 - HN ALA 91 11.111% * 0.2879% (0.28 0.02 0.02) = 0.288% Peak 157 (8.24, 8.24, 124.61 ppm): 1 diagonal assignment: * HN ALA 11 - HN ALA 11 (0.06) kept Peak 158 (2.06, 8.24, 124.61 ppm): 12 chemical-shift based assignments, quality = 0.236, support = 0.517, residual support = 0.347: HB2 GLU- 45 - HN ALA 11 8.333% * 35.5648% (0.28 0.64 0.88) = 35.565% kept HG2 PRO 112 - HN ALA 11 8.333% * 27.5831% (0.22 0.63 0.02) = 27.583% kept HG3 PRO 86 - HN ALA 11 8.333% * 21.7990% (0.25 0.44 0.11) = 21.799% kept HB3 GLU- 75 - HN ALA 11 8.333% * 8.5184% (0.24 0.17 0.02) = 8.518% kept HG2 GLN 16 - HN ALA 11 8.333% * 3.2840% (0.09 0.19 0.02) = 3.284% kept HB VAL 62 - HN ALA 11 8.333% * 0.9011% (0.22 0.02 0.02) = 0.901% HB ILE 101 - HN ALA 11 8.333% * 0.7526% (0.19 0.02 0.02) = 0.753% HB3 LYS+ 120 - HN ALA 11 8.333% * 0.5102% (0.13 0.02 0.02) = 0.510% HB3 LYS+ 110 - HN ALA 11 8.333% * 0.5102% (0.13 0.02 0.02) = 0.510% HG3 GLU- 64 - HN ALA 11 8.333% * 0.2173% (0.05 0.02 0.02) = 0.217% HB3 GLU- 54 - HN ALA 11 8.333% * 0.1915% (0.05 0.02 0.02) = 0.191% HD3 LYS+ 110 - HN ALA 11 8.333% * 0.1679% (0.04 0.02 0.02) = 0.168% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 161 (4.81, 8.96, 124.78 ppm): 12 chemical-shift based assignments, quality = 0.714, support = 5.51, residual support = 25.4: * O HA GLU- 18 - HN ILE 19 8.333% * 90.0086% (0.76 10.0 5.83 25.23) = 90.009% kept HA GLU- 18 - HN LEU 17 8.333% * 8.1191% (0.42 1.0 3.23 33.06) = 8.119% kept HB THR 39 - HN ILE 19 8.333% * 0.7989% (0.74 1.0 0.18 0.14) = 0.799% HA LEU 23 - HN ILE 19 8.333% * 0.7080% (0.70 1.0 0.17 0.02) = 0.708% HA GLU- 18 - HN THR 96 8.333% * 0.0819% (0.69 1.0 0.02 0.02) = 0.082% HB THR 39 - HN THR 96 8.333% * 0.0803% (0.67 1.0 0.02 0.02) = 0.080% HA LEU 23 - HN THR 96 8.333% * 0.0761% (0.64 1.0 0.02 0.02) = 0.076% HB THR 39 - HN LEU 17 8.333% * 0.0493% (0.41 1.0 0.02 0.02) = 0.049% HA LEU 23 - HN LEU 17 8.333% * 0.0467% (0.39 1.0 0.02 0.13) = 0.047% HA ASN 15 - HN ILE 19 8.333% * 0.0126% (0.11 1.0 0.02 0.02) = 0.013% HA ASN 15 - HN THR 96 8.333% * 0.0115% (0.10 1.0 0.02 0.02) = 0.011% HA ASN 15 - HN LEU 17 8.333% * 0.0071% (0.06 1.0 0.02 0.02) = 0.007% Peak 162 (1.57, 8.96, 124.78 ppm): 30 chemical-shift based assignments, quality = 0.684, support = 4.88, residual support = 71.1: * O HB ILE 19 - HN ILE 19 3.333% * 62.7127% (0.75 10.0 6.18 96.53) = 62.713% kept HG LEU 17 - HN LEU 17 3.333% * 9.5798% (0.44 1.0 5.23 88.43) = 9.580% kept HG LEU 17 - HN ILE 19 3.333% * 8.6008% (0.75 1.0 2.72 13.75) = 8.601% kept HB ILE 19 - HN THR 96 3.333% * 5.3910% (0.73 1.0 1.76 5.70) = 5.391% kept HB ILE 19 - HN LEU 17 3.333% * 4.4360% (0.43 1.0 2.44 13.75) = 4.436% kept HD3 LYS+ 60 - HN ILE 19 3.333% * 2.6380% (0.75 1.0 0.84 0.42) = 2.638% kept QB ALA 42 - HN THR 96 3.333% * 2.1296% (0.59 1.0 0.86 0.02) = 2.130% kept HD3 LYS+ 60 - HN THR 96 3.333% * 1.7874% (0.73 1.0 0.58 0.02) = 1.787% kept HB3 LYS+ 32 - HN ILE 19 3.333% * 1.3728% (0.31 1.0 1.06 0.49) = 1.373% kept HB3 LYS+ 32 - HN LEU 17 3.333% * 0.5660% (0.18 1.0 0.75 0.59) = 0.566% HD3 LYS+ 81 - HN ILE 19 3.333% * 0.0620% (0.74 1.0 0.02 0.02) = 0.062% HG LEU 17 - HN THR 96 3.333% * 0.0616% (0.73 1.0 0.02 0.22) = 0.062% HD3 LYS+ 81 - HN THR 96 3.333% * 0.0605% (0.72 1.0 0.02 0.02) = 0.061% HG12 ILE 29 - HN ILE 19 3.333% * 0.0507% (0.60 1.0 0.02 0.02) = 0.051% QB ALA 42 - HN ILE 19 3.333% * 0.0507% (0.60 1.0 0.02 0.02) = 0.051% HG12 ILE 29 - HN THR 96 3.333% * 0.0494% (0.59 1.0 0.02 0.02) = 0.049% HB3 LEU 90 - HN ILE 19 3.333% * 0.0459% (0.55 1.0 0.02 0.29) = 0.046% HB3 LEU 90 - HN THR 96 3.333% * 0.0448% (0.53 1.0 0.02 0.02) = 0.045% HG13 ILE 29 - HN ILE 19 3.333% * 0.0384% (0.46 1.0 0.02 0.02) = 0.038% HG13 ILE 29 - HN THR 96 3.333% * 0.0374% (0.45 1.0 0.02 0.02) = 0.037% HD3 LYS+ 60 - HN LEU 17 3.333% * 0.0366% (0.44 1.0 0.02 0.02) = 0.037% HD3 LYS+ 81 - HN LEU 17 3.333% * 0.0360% (0.43 1.0 0.02 0.02) = 0.036% QG2 THR 24 - HN ILE 19 3.333% * 0.0308% (0.37 1.0 0.02 0.02) = 0.031% QG2 THR 24 - HN THR 96 3.333% * 0.0300% (0.36 1.0 0.02 0.02) = 0.030% HG12 ILE 29 - HN LEU 17 3.333% * 0.0294% (0.35 1.0 0.02 17.08) = 0.029% QB ALA 42 - HN LEU 17 3.333% * 0.0294% (0.35 1.0 0.02 0.02) = 0.029% HB3 LEU 90 - HN LEU 17 3.333% * 0.0267% (0.32 1.0 0.02 0.17) = 0.027% HB3 LYS+ 32 - HN THR 96 3.333% * 0.0254% (0.30 1.0 0.02 0.02) = 0.025% HG13 ILE 29 - HN LEU 17 3.333% * 0.0223% (0.27 1.0 0.02 17.08) = 0.022% QG2 THR 24 - HN LEU 17 3.333% * 0.0179% (0.21 1.0 0.02 0.02) = 0.018% Peak 163 (4.88, 8.96, 124.78 ppm): 9 chemical-shift based assignments, quality = 0.588, support = 4.81, residual support = 68.0: * O HA ILE 19 - HN ILE 19 11.111% * 65.1590% (0.70 10.0 5.39 96.53) = 65.159% kept O HA THR 96 - HN THR 96 11.111% * 19.1484% (0.20 10.0 4.31 20.95) = 19.148% kept HA ILE 19 - HN THR 96 11.111% * 11.5123% (0.68 1.0 3.62 5.70) = 11.512% kept HA ILE 19 - HN LEU 17 11.111% * 3.0616% (0.40 1.0 1.62 13.75) = 3.062% kept HA ASP- 115 - HN THR 96 11.111% * 1.0290% (0.39 1.0 0.57 0.02) = 1.029% kept HA ASP- 115 - HN ILE 19 11.111% * 0.0371% (0.40 1.0 0.02 0.02) = 0.037% HA ASP- 115 - HN LEU 17 11.111% * 0.0215% (0.23 1.0 0.02 0.02) = 0.022% HA THR 96 - HN ILE 19 11.111% * 0.0196% (0.21 1.0 0.02 5.70) = 0.020% HA THR 96 - HN LEU 17 11.111% * 0.0114% (0.12 1.0 0.02 0.22) = 0.011% Peak 164 (8.96, 8.96, 124.78 ppm): 3 diagonal assignments: HN THR 96 - HN THR 96 (0.51) kept * HN ILE 19 - HN ILE 19 (0.46) kept HN LEU 17 - HN LEU 17 (0.44) kept Peak 166 (1.13, 8.96, 124.78 ppm): 15 chemical-shift based assignments, quality = 0.513, support = 1.41, residual support = 0.78: QG2 THR 61 - HN ILE 19 6.667% * 23.7385% (0.70 1.45 0.47) = 23.738% kept * QB ALA 33 - HN ILE 19 6.667% * 17.2919% (0.29 2.52 2.65) = 17.292% kept HG3 LYS+ 32 - HN ILE 19 6.667% * 16.5423% (0.70 1.01 0.49) = 16.542% kept QB ALA 33 - HN LEU 17 6.667% * 10.6186% (0.16 2.77 0.69) = 10.619% kept HG3 LYS+ 32 - HN LEU 17 6.667% * 8.8369% (0.39 0.96 0.59) = 8.837% kept QG2 THR 61 - HN THR 96 6.667% * 7.1126% (0.64 0.48 0.02) = 7.113% kept HD3 LYS+ 111 - HN ILE 19 6.667% * 6.5692% (0.76 0.37 0.02) = 6.569% kept QG2 THR 79 - HN ILE 19 6.667% * 2.2724% (0.22 0.45 0.02) = 2.272% kept HD3 LYS+ 111 - HN LEU 17 6.667% * 2.2431% (0.42 0.23 0.02) = 2.243% kept QG2 THR 61 - HN LEU 17 6.667% * 2.1957% (0.39 0.24 0.02) = 2.196% kept HG3 LYS+ 32 - HN THR 96 6.667% * 1.4863% (0.64 0.10 0.02) = 1.486% kept QB ALA 33 - HN THR 96 6.667% * 0.6220% (0.27 0.10 0.02) = 0.622% HD3 LYS+ 111 - HN THR 96 6.667% * 0.3212% (0.69 0.02 0.02) = 0.321% QG2 THR 79 - HN THR 96 6.667% * 0.0925% (0.20 0.02 0.02) = 0.093% QG2 THR 79 - HN LEU 17 6.667% * 0.0568% (0.12 0.02 0.02) = 0.057% Peak 167 (0.67, 8.96, 124.78 ppm): 21 chemical-shift based assignments, quality = 0.32, support = 4.21, residual support = 44.5: HG12 ILE 19 - HN ILE 19 4.762% * 24.0399% (0.37 6.58 96.53) = 24.040% kept * QD1 ILE 19 - HN ILE 19 4.762% * 18.7958% (0.28 6.67 96.53) = 18.796% kept HG12 ILE 19 - HN THR 96 4.762% * 10.8894% (0.36 3.05 5.70) = 10.889% kept QD1 ILE 19 - HN THR 96 4.762% * 9.3220% (0.28 3.39 5.70) = 9.322% kept HG12 ILE 19 - HN LEU 17 4.762% * 7.0295% (0.21 3.31 13.75) = 7.029% kept QG2 VAL 94 - HN ILE 19 4.762% * 6.4028% (0.34 1.90 0.38) = 6.403% kept QG2 VAL 94 - HN THR 96 4.762% * 5.4146% (0.33 1.65 0.56) = 5.415% kept QD1 ILE 19 - HN LEU 17 4.762% * 5.2603% (0.16 3.22 13.75) = 5.260% kept QG1 VAL 62 - HN ILE 19 4.762% * 4.1720% (0.71 0.59 0.12) = 4.172% kept QG2 VAL 94 - HN LEU 17 4.762% * 4.1130% (0.20 2.11 7.18) = 4.113% kept QG2 ILE 48 - HN THR 96 4.762% * 1.8526% (0.70 0.27 0.02) = 1.853% kept QG2 ILE 48 - HN ILE 19 4.762% * 0.9394% (0.72 0.13 0.02) = 0.939% QG2 ILE 101 - HN THR 96 4.762% * 0.6809% (0.30 0.23 0.02) = 0.681% QG1 VAL 62 - HN THR 96 4.762% * 0.6526% (0.70 0.09 0.02) = 0.653% QG2 ILE 48 - HN LEU 17 4.762% * 0.0831% (0.42 0.02 0.02) = 0.083% QG1 VAL 62 - HN LEU 17 4.762% * 0.0824% (0.41 0.02 0.02) = 0.082% QG2 ILE 68 - HN ILE 19 4.762% * 0.0673% (0.34 0.02 0.02) = 0.067% QG2 ILE 68 - HN THR 96 4.762% * 0.0657% (0.33 0.02 0.02) = 0.066% QG2 ILE 101 - HN ILE 19 4.762% * 0.0617% (0.31 0.02 0.02) = 0.062% QG2 ILE 68 - HN LEU 17 4.762% * 0.0391% (0.20 0.02 0.02) = 0.039% QG2 ILE 101 - HN LEU 17 4.762% * 0.0358% (0.18 0.02 0.02) = 0.036% Peak 168 (2.02, 8.96, 124.78 ppm): 45 chemical-shift based assignments, quality = 0.584, support = 2.83, residual support = 17.9: * HB2 GLU- 18 - HN ILE 19 2.222% * 50.3415% (0.70 4.49 25.23) = 50.342% kept HB2 GLU- 18 - HN LEU 17 2.222% * 15.5720% (0.40 2.40 33.06) = 15.572% kept HB3 PRO 31 - HN ILE 19 2.222% * 9.7630% (0.70 0.87 0.02) = 9.763% kept HG2 PRO 112 - HN ILE 19 2.222% * 6.4508% (0.44 0.90 1.03) = 6.451% kept HB2 GLU- 18 - HN THR 96 2.222% * 5.1588% (0.68 0.47 0.02) = 5.159% kept HB3 PRO 31 - HN LEU 17 2.222% * 3.6355% (0.40 0.56 0.11) = 3.635% kept HB3 PRO 31 - HN THR 96 2.222% * 3.4429% (0.68 0.31 0.02) = 3.443% kept HG2 PRO 116 - HN ILE 19 2.222% * 0.2427% (0.75 0.02 0.02) = 0.243% HB3 GLU- 107 - HN ILE 19 2.222% * 0.2422% (0.75 0.02 0.02) = 0.242% HG2 PRO 116 - HN THR 96 2.222% * 0.2368% (0.74 0.02 0.02) = 0.237% HB3 GLU- 107 - HN THR 96 2.222% * 0.2363% (0.73 0.02 0.02) = 0.236% HG3 PRO 112 - HN ILE 19 2.222% * 0.2177% (0.68 0.02 1.03) = 0.218% HG3 PRO 112 - HN THR 96 2.222% * 0.2124% (0.66 0.02 0.02) = 0.212% HB3 GLU- 64 - HN ILE 19 2.222% * 0.2105% (0.65 0.02 0.02) = 0.211% HB3 GLU- 10 - HN ILE 19 2.222% * 0.2105% (0.65 0.02 0.02) = 0.211% HB3 GLU- 64 - HN THR 96 2.222% * 0.2054% (0.64 0.02 0.02) = 0.205% HB3 GLU- 10 - HN THR 96 2.222% * 0.2054% (0.64 0.02 0.02) = 0.205% HB3 MET 118 - HN ILE 19 2.222% * 0.2027% (0.63 0.02 0.02) = 0.203% HB2 HIS+ 14 - HN ILE 19 2.222% * 0.2027% (0.63 0.02 0.02) = 0.203% HB3 MET 118 - HN THR 96 2.222% * 0.1978% (0.62 0.02 0.02) = 0.198% HB2 HIS+ 14 - HN THR 96 2.222% * 0.1978% (0.62 0.02 0.02) = 0.198% HB3 GLU- 54 - HN ILE 19 2.222% * 0.1855% (0.58 0.02 0.02) = 0.185% HB3 GLU- 54 - HN THR 96 2.222% * 0.1810% (0.56 0.02 0.02) = 0.181% HG3 GLU- 64 - HN ILE 19 2.222% * 0.1763% (0.55 0.02 0.02) = 0.176% HG3 GLU- 64 - HN THR 96 2.222% * 0.1720% (0.53 0.02 0.02) = 0.172% HG2 PRO 116 - HN LEU 17 2.222% * 0.1408% (0.44 0.02 0.02) = 0.141% HB3 GLU- 107 - HN LEU 17 2.222% * 0.1405% (0.44 0.02 0.02) = 0.141% HG2 PRO 112 - HN THR 96 2.222% * 0.1393% (0.43 0.02 0.02) = 0.139% HG3 PRO 112 - HN LEU 17 2.222% * 0.1263% (0.39 0.02 0.02) = 0.126% HB3 GLU- 10 - HN LEU 17 2.222% * 0.1222% (0.38 0.02 0.02) = 0.122% HB3 GLU- 64 - HN LEU 17 2.222% * 0.1222% (0.38 0.02 0.02) = 0.122% HB3 MET 118 - HN LEU 17 2.222% * 0.1176% (0.37 0.02 0.02) = 0.118% HB2 HIS+ 14 - HN LEU 17 2.222% * 0.1176% (0.37 0.02 0.02) = 0.118% HB3 GLU- 54 - HN LEU 17 2.222% * 0.1076% (0.33 0.02 0.02) = 0.108% HG3 GLU- 64 - HN LEU 17 2.222% * 0.1023% (0.32 0.02 0.02) = 0.102% HB3 LYS+ 110 - HN ILE 19 2.222% * 0.0998% (0.31 0.02 0.02) = 0.100% HB3 LYS+ 110 - HN THR 96 2.222% * 0.0974% (0.30 0.02 0.02) = 0.097% HB3 GLU- 75 - HN ILE 19 2.222% * 0.0945% (0.29 0.02 0.02) = 0.094% HB3 GLU- 75 - HN THR 96 2.222% * 0.0922% (0.29 0.02 0.02) = 0.092% HG2 PRO 112 - HN LEU 17 2.222% * 0.0828% (0.26 0.02 0.02) = 0.083% HB3 LYS+ 110 - HN LEU 17 2.222% * 0.0579% (0.18 0.02 0.02) = 0.058% HB3 GLU- 75 - HN LEU 17 2.222% * 0.0548% (0.17 0.02 0.20) = 0.055% HG3 PRO 86 - HN ILE 19 2.222% * 0.0328% (0.10 0.02 0.02) = 0.033% HG3 PRO 86 - HN THR 96 2.222% * 0.0321% (0.10 0.02 0.02) = 0.032% HG3 PRO 86 - HN LEU 17 2.222% * 0.0191% (0.06 0.02 0.02) = 0.019% Peak 169 (7.20, 7.21, 124.79 ppm): 1 diagonal assignment: * HN TRP 51 - HN TRP 51 (0.92) kept Peak 170 (3.69, 7.21, 124.79 ppm): 3 chemical-shift based assignments, quality = 0.683, support = 4.58, residual support = 97.6: * O HB2 TRP 51 - HN TRP 51 33.333% * 99.8622% (0.68 10.0 4.59 97.75) = 99.862% kept HA LYS+ 81 - HN TRP 51 33.333% * 0.0882% (0.60 1.0 0.02 0.02) = 0.088% HB3 SER 69 - HN TRP 51 33.333% * 0.0496% (0.34 1.0 0.02 0.02) = 0.050% Peak 171 (3.02, 7.21, 124.79 ppm): 1 chemical-shift based assignment, quality = 0.986, support = 0.138, residual support = 0.138: HB3 HIS+ 14 - HN TRP 51 100.000% *100.0000% (0.99 0.14 0.14) = 100.000% kept Reference assignment not found: HB3 TRP 51 - HN TRP 51 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 172 (8.33, 7.21, 124.79 ppm): 7 chemical-shift based assignments, quality = 0.957, support = 4.72, residual support = 14.1: * T HN GLU- 50 - HN TRP 51 14.286% * 99.6758% (0.96 10.00 4.73 14.10) = 99.676% kept HN GLY 114 - HN TRP 51 14.286% * 0.0896% (0.86 1.00 0.02 0.02) = 0.090% HN ASN 76 - HN TRP 51 14.286% * 0.0789% (0.76 1.00 0.02 0.02) = 0.079% HN GLU- 109 - HN TRP 51 14.286% * 0.0503% (0.48 1.00 0.02 0.02) = 0.050% HN ALA 103 - HN TRP 51 14.286% * 0.0425% (0.41 1.00 0.02 0.02) = 0.042% HN VAL 99 - HN TRP 51 14.286% * 0.0425% (0.41 1.00 0.02 5.88) = 0.042% HN LYS+ 108 - HN TRP 51 14.286% * 0.0204% (0.20 1.00 0.02 0.02) = 0.020% Peak 173 (4.38, 7.21, 124.79 ppm): 14 chemical-shift based assignments, quality = 0.749, support = 5.14, residual support = 96.2: * O HA TRP 51 - HN TRP 51 7.143% * 98.4355% (0.76 10.0 5.22 97.75) = 98.435% kept HA ASN 57 - HN TRP 51 7.143% * 0.5917% (0.68 1.0 0.13 0.02) = 0.592% HA ALA 91 - HN TRP 51 7.143% * 0.1288% (1.00 1.0 0.02 0.02) = 0.129% HA SER 88 - HN TRP 51 7.143% * 0.1263% (0.98 1.0 0.02 0.02) = 0.126% HA SER 27 - HN TRP 51 7.143% * 0.1189% (0.92 1.0 0.02 0.11) = 0.119% HA ALA 37 - HN TRP 51 7.143% * 0.1155% (0.89 1.0 0.02 0.02) = 0.116% HA LYS+ 60 - HN TRP 51 7.143% * 0.1031% (0.80 1.0 0.02 0.02) = 0.103% HA THR 95 - HN TRP 51 7.143% * 0.0833% (0.64 1.0 0.02 0.02) = 0.083% HA PRO 104 - HN TRP 51 7.143% * 0.0678% (0.52 1.0 0.02 0.02) = 0.068% HB THR 61 - HN TRP 51 7.143% * 0.0678% (0.52 1.0 0.02 0.02) = 0.068% HA2 GLY 26 - HN TRP 51 7.143% * 0.0530% (0.41 1.0 0.02 0.02) = 0.053% HA PRO 112 - HN TRP 51 7.143% * 0.0439% (0.34 1.0 0.02 0.82) = 0.044% HA PRO 116 - HN TRP 51 7.143% * 0.0358% (0.28 1.0 0.02 0.02) = 0.036% HA PRO 86 - HN TRP 51 7.143% * 0.0287% (0.22 1.0 0.02 0.02) = 0.029% Peak 174 (2.34, 7.21, 124.79 ppm): 6 chemical-shift based assignments, quality = 0.589, support = 2.09, residual support = 8.45: * HG3 GLU- 50 - HN TRP 51 16.667% * 58.9442% (0.37 3.21 14.10) = 58.944% kept HG3 GLU- 56 - HN TRP 51 16.667% * 29.0557% (0.98 0.61 0.19) = 29.056% kept HG2 PRO 112 - HN TRP 51 16.667% * 10.1846% (0.83 0.25 0.82) = 10.185% kept HB2 TYR 83 - HN TRP 51 16.667% * 0.7846% (0.80 0.02 0.02) = 0.785% HB3 PRO 86 - HN TRP 51 16.667% * 0.5155% (0.52 0.02 0.02) = 0.515% HB2 GLU- 64 - HN TRP 51 16.667% * 0.5155% (0.52 0.02 0.02) = 0.515% Peak 175 (7.47, 7.21, 124.79 ppm): 1 chemical-shift based assignment, quality = 0.373, support = 4.35, residual support = 97.8: * HE3 TRP 51 - HN TRP 51 100.000% *100.0000% (0.37 4.35 97.75) = 100.000% kept Peak 176 (3.40, 7.21, 124.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA ILE 48 - HN TRP 51 Peak unassigned. Peak 178 (4.94, 9.47, 124.72 ppm): 4 chemical-shift based assignments, quality = 0.753, support = 2.68, residual support = 19.4: * O HA HIS+ 98 - HN HIS+ 98 25.000% * 78.5894% (0.89 10.0 2.89 23.67) = 78.589% kept O HA MET 97 - HN HIS+ 98 25.000% * 19.5095% (0.22 10.0 2.05 3.95) = 19.510% kept HA ILE 101 - HN HIS+ 98 25.000% * 1.3781% (0.99 1.0 0.32 0.11) = 1.378% kept HA ALA 33 - HN HIS+ 98 25.000% * 0.5229% (0.91 1.0 0.13 0.02) = 0.523% Peak 179 (2.91, 9.47, 124.72 ppm): 5 chemical-shift based assignments, quality = 0.915, support = 2.66, residual support = 23.6: * O HB2 HIS+ 98 - HN HIS+ 98 20.000% * 99.6670% (0.92 10.0 2.67 23.67) = 99.667% kept HE3 LYS+ 81 - HN HIS+ 98 20.000% * 0.1080% (1.00 1.0 0.02 0.39) = 0.108% HB3 ASN 57 - HN HIS+ 98 20.000% * 0.1070% (0.99 1.0 0.02 0.02) = 0.107% HB2 CYS 121 - HN HIS+ 98 20.000% * 0.0655% (0.60 1.0 0.02 0.02) = 0.065% HE3 LYS+ 60 - HN HIS+ 98 20.000% * 0.0526% (0.48 1.0 0.02 0.02) = 0.053% Peak 180 (1.64, 9.47, 124.72 ppm): 13 chemical-shift based assignments, quality = 0.612, support = 2.38, residual support = 8.17: HG2 ARG+ 22 - HN HIS+ 98 7.692% * 34.4815% (0.99 1.79 8.33) = 34.482% kept * HB ILE 68 - HN HIS+ 98 7.692% * 25.5194% (0.41 3.22 15.60) = 25.519% kept HB3 MET 97 - HN HIS+ 98 7.692% * 21.7799% (0.34 3.31 3.95) = 21.780% kept HG LEU 23 - HN HIS+ 98 7.692% * 14.7977% (0.52 1.46 3.05) = 14.798% kept HB ILE 100 - HN HIS+ 98 7.692% * 1.3471% (0.45 0.16 0.25) = 1.347% kept HG3 ARG+ 84 - HN HIS+ 98 7.692% * 1.1458% (0.68 0.09 0.02) = 1.146% kept HB3 LYS+ 66 - HN HIS+ 98 7.692% * 0.1877% (0.48 0.02 0.23) = 0.188% HG12 ILE 101 - HN HIS+ 98 7.692% * 0.1728% (0.45 0.02 0.11) = 0.173% HG LEU 43 - HN HIS+ 98 7.692% * 0.1585% (0.41 0.02 0.02) = 0.158% HB VAL 122 - HN HIS+ 98 7.692% * 0.1585% (0.41 0.02 0.02) = 0.158% HB3 MET 126 - HN HIS+ 98 7.692% * 0.1072% (0.28 0.02 0.02) = 0.107% HG3 LYS+ 78 - HN HIS+ 98 7.692% * 0.0763% (0.20 0.02 0.02) = 0.076% HB3 LYS+ 81 - HN HIS+ 98 7.692% * 0.0675% (0.17 0.02 0.39) = 0.068% Peak 181 (8.87, 9.47, 124.72 ppm): 2 chemical-shift based assignments, quality = 0.941, support = 2.73, residual support = 15.6: * T HN ILE 68 - HN HIS+ 98 50.000% * 99.9233% (0.94 10.00 2.73 15.60) = 99.923% kept HN ASP- 36 - HN HIS+ 98 50.000% * 0.0767% (0.72 1.00 0.02 0.02) = 0.077% Peak 182 (3.13, 9.47, 124.72 ppm): 5 chemical-shift based assignments, quality = 0.64, support = 2.85, residual support = 23.6: * O HB3 HIS+ 98 - HN HIS+ 98 20.000% * 99.4932% (0.64 10.0 2.86 23.67) = 99.493% kept HE3 LYS+ 108 - HN HIS+ 98 20.000% * 0.1535% (0.99 1.0 0.02 0.02) = 0.153% HE3 LYS+ 117 - HN HIS+ 98 20.000% * 0.1535% (0.99 1.0 0.02 0.02) = 0.153% HE3 LYS+ 72 - HN HIS+ 98 20.000% * 0.1524% (0.99 1.0 0.02 0.02) = 0.152% HB3 ASP- 25 - HN HIS+ 98 20.000% * 0.0475% (0.31 1.0 0.02 0.02) = 0.047% Peak 183 (4.80, 9.47, 124.72 ppm): 4 chemical-shift based assignments, quality = 0.946, support = 0.591, residual support = 2.42: HA LEU 23 - HN HIS+ 98 25.000% * 79.1363% (0.99 0.70 3.05) = 79.136% kept HA GLU- 18 - HN HIS+ 98 25.000% * 18.4981% (0.80 0.20 0.02) = 18.498% kept HB THR 39 - HN HIS+ 98 25.000% * 1.7346% (0.76 0.02 0.02) = 1.735% kept HA ASN 15 - HN HIS+ 98 25.000% * 0.6311% (0.28 0.02 0.02) = 0.631% Peak 184 (0.70, 9.47, 124.72 ppm): 10 chemical-shift based assignments, quality = 0.813, support = 0.956, residual support = 5.73: * QG2 ILE 68 - HN HIS+ 98 10.000% * 35.9419% (0.80 1.50 15.60) = 35.942% kept QD1 ILE 19 - HN HIS+ 98 10.000% * 20.9894% (0.86 0.81 0.29) = 20.989% kept HG12 ILE 19 - HN HIS+ 98 10.000% * 17.5620% (0.76 0.77 0.29) = 17.562% kept QG2 THR 96 - HN HIS+ 98 10.000% * 15.7466% (0.83 0.63 0.02) = 15.747% kept QG2 ILE 101 - HN HIS+ 98 10.000% * 5.2022% (0.98 0.18 0.11) = 5.202% kept QG2 ILE 48 - HN HIS+ 98 10.000% * 3.1306% (0.96 0.11 0.02) = 3.131% kept QG1 VAL 65 - HN HIS+ 98 10.000% * 0.5776% (0.96 0.02 0.29) = 0.578% QG2 VAL 94 - HN HIS+ 98 10.000% * 0.4792% (0.80 0.02 0.02) = 0.479% HG LEU 74 - HN HIS+ 98 10.000% * 0.2041% (0.34 0.02 0.02) = 0.204% QG1 VAL 62 - HN HIS+ 98 10.000% * 0.1664% (0.28 0.02 0.02) = 0.166% Peak 186 (3.91, 8.93, 124.84 ppm): 8 chemical-shift based assignments, quality = 0.517, support = 3.17, residual support = 20.9: * O HB THR 96 - HN THR 96 12.500% * 99.7457% (0.52 10.0 3.18 20.95) = 99.746% kept HB2 SER 77 - HN THR 96 12.500% * 0.1528% (0.79 1.0 0.02 0.02) = 0.153% HD2 PRO 86 - HN THR 96 12.500% * 0.0305% (0.16 1.0 0.02 0.02) = 0.031% HD2 PRO 116 - HN THR 96 12.500% * 0.0238% (0.12 1.0 0.02 0.02) = 0.024% HB2 SER 77 - HN LEU 17 12.500% * 0.0235% (0.12 1.0 0.02 0.02) = 0.024% HB THR 96 - HN LEU 17 12.500% * 0.0153% (0.08 1.0 0.02 0.22) = 0.015% HD2 PRO 86 - HN LEU 17 12.500% * 0.0047% (0.02 1.0 0.02 0.02) = 0.005% HD2 PRO 116 - HN LEU 17 12.500% * 0.0037% (0.02 1.0 0.02 0.02) = 0.004% Peak 187 (8.93, 8.93, 124.84 ppm): 2 diagonal assignments: * HN THR 96 - HN THR 96 (0.64) kept HN LEU 17 - HN LEU 17 (0.04) kept Peak 188 (1.08, 8.93, 124.84 ppm): 4 chemical-shift based assignments, quality = 0.783, support = 4.25, residual support = 17.2: * QG2 THR 95 - HN THR 96 25.000% * 98.3042% (0.79 4.32 17.52) = 98.304% kept QG2 THR 95 - HN LEU 17 25.000% * 1.5323% (0.12 0.44 1.09) = 1.532% kept QG2 THR 79 - HN THR 96 25.000% * 0.1418% (0.25 0.02 0.02) = 0.142% QG2 THR 79 - HN LEU 17 25.000% * 0.0218% (0.04 0.02 0.02) = 0.022% Peak 189 (4.87, 8.93, 124.84 ppm): 6 chemical-shift based assignments, quality = 0.512, support = 4.05, residual support = 18.1: * O HA THR 96 - HN THR 96 16.667% * 82.7050% (0.52 10.0 4.31 20.95) = 82.705% kept HA ILE 19 - HN THR 96 16.667% * 13.1070% (0.45 1.0 3.62 5.70) = 13.107% kept HA ASP- 115 - HN THR 96 16.667% * 3.2562% (0.72 1.0 0.57 0.02) = 3.256% kept HA ILE 19 - HN LEU 17 16.667% * 0.9015% (0.07 1.0 1.62 13.75) = 0.901% HA ASP- 115 - HN LEU 17 16.667% * 0.0176% (0.11 1.0 0.02 0.02) = 0.018% HA THR 96 - HN LEU 17 16.667% * 0.0127% (0.08 1.0 0.02 0.22) = 0.013% Peak 190 (0.71, 8.93, 124.84 ppm): 24 chemical-shift based assignments, quality = 0.542, support = 3.01, residual support = 11.6: * QG2 THR 96 - HN THR 96 4.167% * 41.3544% (0.80 3.62 20.95) = 41.354% kept QD1 ILE 19 - HN THR 96 4.167% * 20.3874% (0.42 3.39 5.70) = 20.387% kept HG12 ILE 19 - HN THR 96 4.167% * 14.3487% (0.33 3.05 5.70) = 14.349% kept QG2 VAL 94 - HN THR 96 4.167% * 8.4473% (0.36 1.65 0.56) = 8.447% kept QD1 ILE 19 - HN LEU 17 4.167% * 2.9752% (0.06 3.22 13.75) = 2.975% kept QG2 ILE 48 - HN THR 96 4.167% * 2.7709% (0.73 0.27 0.02) = 2.771% kept QG2 ILE 101 - HN THR 96 4.167% * 2.5523% (0.79 0.23 0.02) = 2.552% kept HG12 ILE 19 - HN LEU 17 4.167% * 2.3955% (0.05 3.31 13.75) = 2.395% kept QG2 THR 96 - HN LEU 17 4.167% * 1.9410% (0.12 1.10 0.22) = 1.941% kept QG2 VAL 94 - HN LEU 17 4.167% * 1.6595% (0.06 2.11 7.18) = 1.659% kept QG2 VAL 65 - HN THR 96 4.167% * 0.4058% (0.16 0.18 0.02) = 0.406% QG1 VAL 65 - HN THR 96 4.167% * 0.2163% (0.76 0.02 0.02) = 0.216% HG LEU 74 - HN THR 96 4.167% * 0.1570% (0.55 0.02 0.02) = 0.157% QG2 ILE 68 - HN THR 96 4.167% * 0.1025% (0.36 0.02 0.02) = 0.103% QG1 VAL 40 - HN THR 96 4.167% * 0.0636% (0.22 0.02 0.02) = 0.064% QD1 ILE 68 - HN THR 96 4.167% * 0.0570% (0.20 0.02 0.02) = 0.057% QG2 ILE 101 - HN LEU 17 4.167% * 0.0347% (0.12 0.02 0.02) = 0.035% QG1 VAL 65 - HN LEU 17 4.167% * 0.0333% (0.12 0.02 0.02) = 0.033% QG2 ILE 48 - HN LEU 17 4.167% * 0.0322% (0.11 0.02 0.02) = 0.032% HG LEU 74 - HN LEU 17 4.167% * 0.0242% (0.08 0.02 0.02) = 0.024% QG2 ILE 68 - HN LEU 17 4.167% * 0.0158% (0.06 0.02 0.02) = 0.016% QG1 VAL 40 - HN LEU 17 4.167% * 0.0098% (0.03 0.02 0.02) = 0.010% QD1 ILE 68 - HN LEU 17 4.167% * 0.0088% (0.03 0.02 0.02) = 0.009% QG2 VAL 65 - HN LEU 17 4.167% * 0.0070% (0.02 0.02 0.02) = 0.007% Peak 191 (1.65, 8.93, 124.84 ppm): 26 chemical-shift based assignments, quality = 0.369, support = 1.99, residual support = 3.22: HB3 MET 97 - HN THR 96 3.846% * 68.1854% (0.33 2.80 4.71) = 68.185% kept HB3 LYS+ 66 - HN THR 96 3.846% * 14.7881% (0.45 0.44 0.02) = 14.788% kept HG2 ARG+ 22 - HN THR 96 3.846% * 7.8978% (0.79 0.14 0.02) = 7.898% kept HG LEU 23 - HN THR 96 3.846% * 2.4267% (0.36 0.09 0.02) = 2.427% kept HG12 ILE 101 - HN THR 96 3.846% * 2.0537% (0.30 0.09 0.02) = 2.054% kept HG3 ARG+ 84 - HN THR 96 3.846% * 0.9049% (0.61 0.02 0.02) = 0.905% HB ILE 100 - HN THR 96 3.846% * 0.6230% (0.42 0.02 0.02) = 0.623% HB ILE 68 - HN THR 96 3.846% * 0.4039% (0.27 0.02 0.02) = 0.404% HB VAL 122 - HN THR 96 3.846% * 0.4039% (0.27 0.02 0.02) = 0.404% HG LEU 43 - HN THR 96 3.846% * 0.4039% (0.27 0.02 0.02) = 0.404% HB3 MET 126 - HN THR 96 3.846% * 0.4039% (0.27 0.02 0.02) = 0.404% HB3 LYS+ 81 - HN THR 96 3.846% * 0.2636% (0.18 0.02 0.02) = 0.264% HG3 LYS+ 78 - HN THR 96 3.846% * 0.1827% (0.12 0.02 0.02) = 0.183% HG2 ARG+ 22 - HN LEU 17 3.846% * 0.1785% (0.12 0.02 0.02) = 0.179% HG3 ARG+ 84 - HN LEU 17 3.846% * 0.1392% (0.09 0.02 1.73) = 0.139% HB3 LYS+ 66 - HN LEU 17 3.846% * 0.1031% (0.07 0.02 0.02) = 0.103% HB ILE 100 - HN LEU 17 3.846% * 0.0958% (0.06 0.02 0.02) = 0.096% HG LEU 23 - HN LEU 17 3.846% * 0.0816% (0.06 0.02 0.13) = 0.082% HB3 MET 97 - HN LEU 17 3.846% * 0.0749% (0.05 0.02 0.94) = 0.075% HG12 ILE 101 - HN LEU 17 3.846% * 0.0683% (0.05 0.02 0.02) = 0.068% HB VAL 122 - HN LEU 17 3.846% * 0.0621% (0.04 0.02 0.02) = 0.062% HB ILE 68 - HN LEU 17 3.846% * 0.0621% (0.04 0.02 0.02) = 0.062% HG LEU 43 - HN LEU 17 3.846% * 0.0621% (0.04 0.02 0.02) = 0.062% HB3 MET 126 - HN LEU 17 3.846% * 0.0621% (0.04 0.02 0.02) = 0.062% HB3 LYS+ 81 - HN LEU 17 3.846% * 0.0405% (0.03 0.02 0.02) = 0.041% HG3 LYS+ 78 - HN LEU 17 3.846% * 0.0281% (0.02 0.02 0.02) = 0.028% Peak 193 (4.21, 8.22, 124.48 ppm): 9 chemical-shift based assignments, quality = 0.356, support = 1.4, residual support = 2.66: * O HA GLU- 10 - HN ALA 11 11.111% * 78.5325% (0.24 10.0 1.61 2.95) = 78.532% kept HA GLU- 12 - HN ALA 11 11.111% * 13.9755% (0.92 1.0 0.75 2.35) = 13.975% kept HB3 SER 49 - HN ALA 11 11.111% * 6.3242% (0.61 1.0 0.51 0.24) = 6.324% kept HA ASP- 82 - HN ALA 11 11.111% * 0.3514% (0.87 1.0 0.02 0.02) = 0.351% HA GLU- 109 - HN ALA 11 11.111% * 0.2692% (0.67 1.0 0.02 0.02) = 0.269% HA SER 49 - HN ALA 11 11.111% * 0.1907% (0.47 1.0 0.02 0.24) = 0.191% HA ALA 42 - HN ALA 11 11.111% * 0.1611% (0.40 1.0 0.02 0.02) = 0.161% HA LYS+ 108 - HN ALA 11 11.111% * 0.0977% (0.24 1.0 0.02 0.02) = 0.098% HA GLU- 54 - HN ALA 11 11.111% * 0.0977% (0.24 1.0 0.02 0.02) = 0.098% Peak 194 (8.21, 8.22, 124.48 ppm): 1 diagonal assignment: * HN ALA 11 - HN ALA 11 (0.97) kept Peak 195 (1.34, 8.22, 124.48 ppm): 5 chemical-shift based assignments, quality = 0.584, support = 0.476, residual support = 0.219: HB2 ARG+ 22 - HN ALA 11 20.000% * 56.6695% (0.74 0.48 0.28) = 56.670% kept QG2 THR 46 - HN ALA 11 20.000% * 35.4368% (0.40 0.56 0.16) = 35.437% kept HG3 LYS+ 81 - HN ALA 11 20.000% * 6.5551% (0.36 0.11 0.02) = 6.555% kept HB3 LEU 17 - HN ALA 11 20.000% * 0.8608% (0.27 0.02 0.02) = 0.861% HB3 LYS+ 20 - HN ALA 11 20.000% * 0.4777% (0.15 0.02 0.02) = 0.478% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 196 (4.78, 8.22, 124.48 ppm): 2 chemical-shift based assignments, quality = 0.864, support = 0.283, residual support = 0.17: HA ASN 15 - HN ALA 11 50.000% * 86.7222% (0.96 0.30 0.19) = 86.722% kept HA LEU 23 - HN ALA 11 50.000% * 13.2778% (0.24 0.18 0.02) = 13.278% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 197 (1.99, 8.22, 124.48 ppm): 14 chemical-shift based assignments, quality = 0.58, support = 0.356, residual support = 0.0474: HG2 PRO 112 - HN ALA 11 7.143% * 31.2141% (0.49 0.63 0.02) = 31.214% kept HB2 PRO 86 - HN ALA 11 7.143% * 29.5310% (0.87 0.33 0.11) = 29.531% kept HB VAL 73 - HN ALA 11 7.143% * 8.9836% (0.51 0.17 0.02) = 8.984% kept HG3 PRO 112 - HN ALA 11 7.143% * 8.8257% (0.36 0.24 0.02) = 8.826% kept HB2 HIS+ 14 - HN ALA 11 7.143% * 8.4335% (0.43 0.19 0.02) = 8.434% kept HB3 MET 118 - HN ALA 11 7.143% * 3.7254% (0.43 0.08 0.02) = 3.725% kept HB3 GLU- 75 - HN ALA 11 7.143% * 3.0229% (0.17 0.17 0.02) = 3.023% kept HB2 LYS+ 108 - HN ALA 11 7.143% * 1.9588% (0.96 0.02 0.02) = 1.959% kept HB3 GLU- 56 - HN ALA 11 7.143% * 1.4351% (0.70 0.02 0.02) = 1.435% kept HG3 PRO 104 - HN ALA 11 7.143% * 1.1987% (0.59 0.02 0.02) = 1.199% kept HB2 GLU- 18 - HN ALA 11 7.143% * 0.6741% (0.33 0.02 0.02) = 0.674% HG2 PRO 116 - HN ALA 11 7.143% * 0.3461% (0.17 0.02 0.02) = 0.346% HB3 GLU- 109 - HN ALA 11 7.143% * 0.3461% (0.17 0.02 0.02) = 0.346% HB3 GLU- 107 - HN ALA 11 7.143% * 0.3049% (0.15 0.02 0.02) = 0.305% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 198 (3.96, 8.22, 124.48 ppm): 3 chemical-shift based assignments, quality = 0.558, support = 0.711, residual support = 0.9: HA LEU 74 - HN ALA 11 33.333% * 55.2749% (0.51 0.85 0.70) = 55.275% kept HA1 GLY 114 - HN ALA 11 33.333% * 44.1724% (0.63 0.55 1.16) = 44.172% kept HA1 GLY 92 - HN ALA 11 33.333% * 0.5528% (0.22 0.02 0.15) = 0.553% Peak 199 (4.54, 8.49, 124.44 ppm): 12 chemical-shift based assignments, quality = 0.666, support = 4.53, residual support = 32.9: * O HA LEU 17 - HN GLU- 18 8.333% * 99.4544% (0.67 10.0 4.56 33.06) = 99.454% kept HA ALA 103 - HN GLU- 10 8.333% * 0.1268% (0.85 1.0 0.02 0.02) = 0.127% HA ALA 103 - HN GLU- 18 8.333% * 0.1167% (0.79 1.0 0.02 0.02) = 0.117% HA LEU 17 - HN GLU- 10 8.333% * 0.1080% (0.73 1.0 0.02 0.02) = 0.108% HB THR 46 - HN GLU- 10 8.333% * 0.0485% (0.33 1.0 0.02 0.02) = 0.049% HB THR 46 - HN GLU- 18 8.333% * 0.0447% (0.30 1.0 0.02 0.02) = 0.045% HA ALA 103 - HN GLU- 107 8.333% * 0.0261% (0.18 1.0 0.02 0.02) = 0.026% HA LEU 17 - HN GLU- 107 8.333% * 0.0223% (0.15 1.0 0.02 0.02) = 0.022% HA LYS+ 55 - HN GLU- 10 8.333% * 0.0200% (0.13 1.0 0.02 0.02) = 0.020% HA LYS+ 55 - HN GLU- 18 8.333% * 0.0184% (0.12 1.0 0.02 0.02) = 0.018% HB THR 46 - HN GLU- 107 8.333% * 0.0100% (0.07 1.0 0.02 0.02) = 0.010% HA LYS+ 55 - HN GLU- 107 8.333% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% Peak 200 (1.74, 8.49, 124.44 ppm): 18 chemical-shift based assignments, quality = 0.538, support = 5.14, residual support = 24.9: HB2 LEU 17 - HN GLU- 18 5.556% * 74.7497% (0.58 6.32 33.06) = 74.750% kept HB2 GLN 16 - HN GLU- 18 5.556% * 13.3008% (0.22 2.93 1.50) = 13.301% kept HB3 LEU 23 - HN GLU- 10 5.556% * 5.3809% (0.84 0.31 0.02) = 5.381% kept HB3 LEU 23 - HN GLU- 18 5.556% * 3.6264% (0.77 0.23 0.02) = 3.626% kept HB ILE 48 - HN GLU- 107 5.556% * 0.6241% (0.18 0.17 0.02) = 0.624% HB ILE 48 - HN GLU- 10 5.556% * 0.3541% (0.87 0.02 0.02) = 0.354% HB2 LYS+ 117 - HN GLU- 10 5.556% * 0.3349% (0.82 0.02 0.02) = 0.335% HB ILE 48 - HN GLU- 18 5.556% * 0.3260% (0.80 0.02 0.02) = 0.326% HB2 LYS+ 117 - HN GLU- 18 5.556% * 0.3084% (0.76 0.02 0.02) = 0.308% HB2 LEU 17 - HN GLU- 10 5.556% * 0.2571% (0.63 0.02 0.02) = 0.257% HD3 PRO 59 - HN GLU- 10 5.556% * 0.2004% (0.49 0.02 0.02) = 0.200% HD3 PRO 59 - HN GLU- 18 5.556% * 0.1846% (0.45 0.02 0.02) = 0.185% HB2 GLN 16 - HN GLU- 10 5.556% * 0.0984% (0.24 0.02 0.02) = 0.098% HB3 LEU 23 - HN GLU- 107 5.556% * 0.0705% (0.17 0.02 0.02) = 0.070% HB2 LYS+ 117 - HN GLU- 107 5.556% * 0.0691% (0.17 0.02 0.02) = 0.069% HB2 LEU 17 - HN GLU- 107 5.556% * 0.0530% (0.13 0.02 0.02) = 0.053% HD3 PRO 59 - HN GLU- 107 5.556% * 0.0413% (0.10 0.02 0.02) = 0.041% HB2 GLN 16 - HN GLU- 107 5.556% * 0.0203% (0.05 0.02 0.30) = 0.020% Reference assignment not found: HB3 GLU- 18 - HN GLU- 18 Peak 201 (0.91, 8.49, 124.44 ppm): 36 chemical-shift based assignments, quality = 0.226, support = 3.02, residual support = 22.4: * QD1 LEU 17 - HN GLU- 18 2.778% * 67.7616% (0.27 4.25 33.06) = 67.762% kept QD1 LEU 67 - HN GLU- 18 2.778% * 4.9416% (0.67 0.13 0.02) = 4.942% kept QG2 VAL 105 - HN GLU- 107 2.778% * 4.7878% (0.07 1.22 0.11) = 4.788% kept QG1 VAL 105 - HN GLU- 107 2.778% * 3.8739% (0.06 1.20 0.11) = 3.874% kept QD1 LEU 17 - HN GLU- 107 2.778% * 3.1553% (0.06 0.88 0.02) = 3.155% kept HG3 LYS+ 117 - HN GLU- 10 2.778% * 0.9111% (0.78 0.02 0.02) = 0.911% QD1 LEU 67 - HN GLU- 107 2.778% * 0.8834% (0.15 0.10 0.02) = 0.883% QG2 VAL 80 - HN GLU- 10 2.778% * 0.8485% (0.73 0.02 0.02) = 0.849% QD1 LEU 67 - HN GLU- 10 2.778% * 0.8485% (0.73 0.02 0.02) = 0.849% HG3 LYS+ 117 - HN GLU- 18 2.778% * 0.8389% (0.72 0.02 0.02) = 0.839% QG2 VAL 80 - HN GLU- 18 2.778% * 0.7813% (0.67 0.02 0.02) = 0.781% QG1 VAL 47 - HN GLU- 10 2.778% * 0.7764% (0.67 0.02 0.02) = 0.776% HG3 LYS+ 110 - HN GLU- 10 2.778% * 0.7377% (0.63 0.02 0.02) = 0.738% QG1 VAL 47 - HN GLU- 18 2.778% * 0.7148% (0.61 0.02 0.02) = 0.715% QG2 VAL 87 - HN GLU- 10 2.778% * 0.6978% (0.60 0.02 0.02) = 0.698% QG2 VAL 40 - HN GLU- 10 2.778% * 0.6978% (0.60 0.02 0.02) = 0.698% HG3 LYS+ 110 - HN GLU- 18 2.778% * 0.6792% (0.58 0.02 0.02) = 0.679% HG12 ILE 68 - HN GLU- 10 2.778% * 0.6572% (0.56 0.02 0.02) = 0.657% QG2 VAL 87 - HN GLU- 18 2.778% * 0.6425% (0.55 0.02 0.02) = 0.643% QG2 VAL 40 - HN GLU- 18 2.778% * 0.6425% (0.55 0.02 0.02) = 0.643% HG12 ILE 68 - HN GLU- 18 2.778% * 0.6051% (0.52 0.02 0.02) = 0.605% QG2 VAL 105 - HN GLU- 10 2.778% * 0.3813% (0.33 0.02 0.02) = 0.381% QG2 VAL 105 - HN GLU- 18 2.778% * 0.3511% (0.30 0.02 0.02) = 0.351% QD1 LEU 17 - HN GLU- 10 2.778% * 0.3465% (0.30 0.02 0.02) = 0.347% QG1 VAL 80 - HN GLU- 10 2.778% * 0.3465% (0.30 0.02 0.02) = 0.347% QG1 VAL 80 - HN GLU- 18 2.778% * 0.3191% (0.27 0.02 0.02) = 0.319% QG1 VAL 105 - HN GLU- 10 2.778% * 0.3136% (0.27 0.02 0.02) = 0.314% QG1 VAL 105 - HN GLU- 18 2.778% * 0.2887% (0.25 0.02 0.02) = 0.289% HG3 LYS+ 117 - HN GLU- 107 2.778% * 0.1879% (0.16 0.02 0.02) = 0.188% QG2 VAL 80 - HN GLU- 107 2.778% * 0.1750% (0.15 0.02 0.02) = 0.175% QG1 VAL 47 - HN GLU- 107 2.778% * 0.1601% (0.14 0.02 0.02) = 0.160% HG3 LYS+ 110 - HN GLU- 107 2.778% * 0.1522% (0.13 0.02 0.02) = 0.152% QG2 VAL 87 - HN GLU- 107 2.778% * 0.1439% (0.12 0.02 0.02) = 0.144% QG2 VAL 40 - HN GLU- 107 2.778% * 0.1439% (0.12 0.02 0.02) = 0.144% HG12 ILE 68 - HN GLU- 107 2.778% * 0.1356% (0.12 0.02 0.02) = 0.136% QG1 VAL 80 - HN GLU- 107 2.778% * 0.0715% (0.06 0.02 0.02) = 0.071% Peak 203 (1.99, 8.49, 124.44 ppm): 39 chemical-shift based assignments, quality = 0.251, support = 4.69, residual support = 45.8: * O HB2 GLU- 18 - HN GLU- 18 2.564% * 84.6781% (0.25 10.0 5.45 53.83) = 84.678% kept HG2 PRO 112 - HN GLU- 18 2.564% * 4.7023% (0.40 1.0 0.68 0.12) = 4.702% kept HB2 LYS+ 108 - HN GLU- 107 2.564% * 3.6807% (0.18 1.0 1.20 5.96) = 3.681% kept HB2 PRO 86 - HN GLU- 10 2.564% * 1.9082% (0.80 1.0 0.14 0.02) = 1.908% kept HB3 GLU- 75 - HN GLU- 18 2.564% * 0.8452% (0.14 1.0 0.36 0.02) = 0.845% HG2 PRO 112 - HN GLU- 10 2.564% * 0.5616% (0.44 1.0 0.08 0.02) = 0.562% HB3 GLU- 75 - HN GLU- 107 2.564% * 0.3364% (0.03 1.0 0.64 0.02) = 0.336% HB2 LYS+ 108 - HN GLU- 10 2.564% * 0.2973% (0.87 1.0 0.02 0.02) = 0.297% HB2 LYS+ 108 - HN GLU- 18 2.564% * 0.2737% (0.80 1.0 0.02 0.02) = 0.274% HB2 PRO 86 - HN GLU- 18 2.564% * 0.2533% (0.74 1.0 0.02 0.02) = 0.253% HB3 GLU- 56 - HN GLU- 10 2.564% * 0.2277% (0.67 1.0 0.02 0.02) = 0.228% HB3 GLU- 56 - HN GLU- 18 2.564% * 0.2097% (0.61 1.0 0.02 0.02) = 0.210% HG3 PRO 104 - HN GLU- 10 2.564% * 0.1928% (0.56 1.0 0.02 0.02) = 0.193% HG3 PRO 104 - HN GLU- 18 2.564% * 0.1775% (0.52 1.0 0.02 0.02) = 0.177% HB VAL 73 - HN GLU- 10 2.564% * 0.1687% (0.49 1.0 0.02 0.02) = 0.169% HB VAL 73 - HN GLU- 18 2.564% * 0.1553% (0.45 1.0 0.02 0.02) = 0.155% HB3 MET 118 - HN GLU- 10 2.564% * 0.1225% (0.36 1.0 0.02 0.02) = 0.122% HB2 HIS+ 14 - HN GLU- 10 2.564% * 0.1225% (0.36 1.0 0.02 0.02) = 0.122% HB3 MET 118 - HN GLU- 18 2.564% * 0.1128% (0.33 1.0 0.02 0.02) = 0.113% HB2 HIS+ 14 - HN GLU- 18 2.564% * 0.1128% (0.33 1.0 0.02 0.02) = 0.113% HG3 PRO 112 - HN GLU- 10 2.564% * 0.1016% (0.30 1.0 0.02 0.02) = 0.102% HG3 PRO 112 - HN GLU- 18 2.564% * 0.0936% (0.27 1.0 0.02 0.12) = 0.094% HB2 GLU- 18 - HN GLU- 10 2.564% * 0.0920% (0.27 1.0 0.02 0.02) = 0.092% HB3 GLU- 109 - HN GLU- 10 2.564% * 0.0590% (0.17 1.0 0.02 0.02) = 0.059% HB2 PRO 86 - HN GLU- 107 2.564% * 0.0567% (0.17 1.0 0.02 0.02) = 0.057% HB3 GLU- 109 - HN GLU- 18 2.564% * 0.0543% (0.16 1.0 0.02 0.02) = 0.054% HB3 GLU- 75 - HN GLU- 10 2.564% * 0.0511% (0.15 1.0 0.02 0.02) = 0.051% HB3 GLU- 56 - HN GLU- 107 2.564% * 0.0470% (0.14 1.0 0.02 0.02) = 0.047% HG2 PRO 116 - HN GLU- 10 2.564% * 0.0460% (0.13 1.0 0.02 0.02) = 0.046% HG2 PRO 116 - HN GLU- 18 2.564% * 0.0423% (0.12 1.0 0.02 0.02) = 0.042% HG3 PRO 104 - HN GLU- 107 2.564% * 0.0398% (0.12 1.0 0.02 0.02) = 0.040% HB VAL 73 - HN GLU- 107 2.564% * 0.0348% (0.10 1.0 0.02 0.11) = 0.035% HG2 PRO 112 - HN GLU- 107 2.564% * 0.0308% (0.09 1.0 0.02 0.02) = 0.031% HB3 MET 118 - HN GLU- 107 2.564% * 0.0253% (0.07 1.0 0.02 0.02) = 0.025% HB2 HIS+ 14 - HN GLU- 107 2.564% * 0.0253% (0.07 1.0 0.02 0.02) = 0.025% HG3 PRO 112 - HN GLU- 107 2.564% * 0.0210% (0.06 1.0 0.02 0.02) = 0.021% HB2 GLU- 18 - HN GLU- 107 2.564% * 0.0190% (0.06 1.0 0.02 0.02) = 0.019% HB3 GLU- 109 - HN GLU- 107 2.564% * 0.0122% (0.04 1.0 0.02 0.02) = 0.012% HG2 PRO 116 - HN GLU- 107 2.564% * 0.0095% (0.03 1.0 0.02 0.02) = 0.009% Peak 204 (1.58, 8.49, 124.44 ppm): 36 chemical-shift based assignments, quality = 0.606, support = 4.4, residual support = 28.7: * HG LEU 17 - HN GLU- 18 2.778% * 55.0049% (0.61 5.16 33.06) = 55.005% kept HB ILE 19 - HN GLU- 18 2.778% * 41.7838% (0.64 3.74 25.23) = 41.784% kept HB3 LYS+ 32 - HN GLU- 10 2.778% * 0.2627% (0.76 0.02 0.02) = 0.263% HB ILE 19 - HN GLU- 10 2.778% * 0.2425% (0.70 0.02 0.02) = 0.242% HB3 LYS+ 32 - HN GLU- 18 2.778% * 0.2419% (0.70 0.02 2.77) = 0.242% HG LEU 17 - HN GLU- 10 2.778% * 0.2314% (0.67 0.02 0.02) = 0.231% HD3 LYS+ 60 - HN GLU- 10 2.778% * 0.2080% (0.60 0.02 0.02) = 0.208% HD3 LYS+ 60 - HN GLU- 18 2.778% * 0.1915% (0.55 0.02 0.02) = 0.192% HD3 LYS+ 81 - HN GLU- 10 2.778% * 0.1837% (0.53 0.02 0.02) = 0.184% HD3 LYS+ 81 - HN GLU- 18 2.778% * 0.1691% (0.49 0.02 0.02) = 0.169% HD3 LYS+ 32 - HN GLU- 10 2.778% * 0.1137% (0.33 0.02 0.02) = 0.114% HD3 LYS+ 32 - HN GLU- 18 2.778% * 0.1046% (0.30 0.02 2.77) = 0.105% QB ALA 42 - HN GLU- 10 2.778% * 0.1033% (0.30 0.02 0.02) = 0.103% HG12 ILE 29 - HN GLU- 10 2.778% * 0.1033% (0.30 0.02 0.02) = 0.103% QB ALA 42 - HN GLU- 18 2.778% * 0.0951% (0.27 0.02 0.02) = 0.095% HG12 ILE 29 - HN GLU- 18 2.778% * 0.0951% (0.27 0.02 0.02) = 0.095% HB3 LEU 90 - HN GLU- 10 2.778% * 0.0842% (0.24 0.02 0.02) = 0.084% HB3 LEU 90 - HN GLU- 18 2.778% * 0.0775% (0.22 0.02 0.02) = 0.078% HB3 PRO 52 - HN GLU- 10 2.778% * 0.0755% (0.22 0.02 0.02) = 0.076% HB3 PRO 52 - HN GLU- 18 2.778% * 0.0695% (0.20 0.02 0.02) = 0.070% HG13 ILE 29 - HN GLU- 10 2.778% * 0.0599% (0.17 0.02 0.02) = 0.060% HG13 ILE 29 - HN GLU- 18 2.778% * 0.0552% (0.16 0.02 0.02) = 0.055% HB3 LYS+ 32 - HN GLU- 107 2.778% * 0.0542% (0.16 0.02 0.02) = 0.054% HB ILE 19 - HN GLU- 107 2.778% * 0.0500% (0.14 0.02 0.02) = 0.050% HG LEU 17 - HN GLU- 107 2.778% * 0.0477% (0.14 0.02 0.02) = 0.048% HG2 LYS+ 110 - HN GLU- 10 2.778% * 0.0467% (0.13 0.02 0.02) = 0.047% HG2 LYS+ 110 - HN GLU- 18 2.778% * 0.0430% (0.12 0.02 0.02) = 0.043% HD3 LYS+ 60 - HN GLU- 107 2.778% * 0.0429% (0.12 0.02 0.02) = 0.043% HD3 LYS+ 81 - HN GLU- 107 2.778% * 0.0379% (0.11 0.02 0.02) = 0.038% HD3 LYS+ 32 - HN GLU- 107 2.778% * 0.0234% (0.07 0.02 0.02) = 0.023% QB ALA 42 - HN GLU- 107 2.778% * 0.0213% (0.06 0.02 0.02) = 0.021% HG12 ILE 29 - HN GLU- 107 2.778% * 0.0213% (0.06 0.02 0.02) = 0.021% HB3 LEU 90 - HN GLU- 107 2.778% * 0.0174% (0.05 0.02 0.02) = 0.017% HB3 PRO 52 - HN GLU- 107 2.778% * 0.0156% (0.04 0.02 0.02) = 0.016% HG13 ILE 29 - HN GLU- 107 2.778% * 0.0124% (0.04 0.02 0.02) = 0.012% HG2 LYS+ 110 - HN GLU- 107 2.778% * 0.0096% (0.03 0.02 0.02) = 0.010% Peak 205 (1.34, 8.49, 124.44 ppm): 18 chemical-shift based assignments, quality = 0.365, support = 4.15, residual support = 18.3: * HB3 LEU 17 - HN GLU- 18 5.556% * 54.3838% (0.27 6.82 33.06) = 54.384% kept HB2 ARG+ 22 - HN GLU- 10 5.556% * 17.9987% (0.60 1.03 0.51) = 17.999% kept HB2 ARG+ 22 - HN GLU- 18 5.556% * 16.5200% (0.55 1.03 0.18) = 16.520% kept QB ALA 11 - HN GLU- 10 5.556% * 5.0960% (0.15 1.15 2.95) = 5.096% kept HB3 LYS+ 20 - HN GLU- 18 5.556% * 3.6763% (0.16 0.79 1.34) = 3.676% kept QG2 THR 46 - HN GLU- 10 5.556% * 1.1427% (0.30 0.13 0.02) = 1.143% kept HG3 LYS+ 81 - HN GLU- 10 5.556% * 0.2278% (0.39 0.02 0.02) = 0.228% HG3 LYS+ 81 - HN GLU- 18 5.556% * 0.2097% (0.36 0.02 0.02) = 0.210% HB3 LEU 17 - HN GLU- 10 5.556% * 0.1733% (0.30 0.02 0.02) = 0.173% QG2 THR 46 - HN GLU- 18 5.556% * 0.1596% (0.27 0.02 0.02) = 0.160% HB3 LYS+ 20 - HN GLU- 10 5.556% * 0.1006% (0.17 0.02 0.02) = 0.101% QB ALA 11 - HN GLU- 18 5.556% * 0.0819% (0.14 0.02 0.02) = 0.082% HB2 ARG+ 22 - HN GLU- 107 5.556% * 0.0720% (0.12 0.02 0.02) = 0.072% HG3 LYS+ 81 - HN GLU- 107 5.556% * 0.0470% (0.08 0.02 0.02) = 0.047% HB3 LEU 17 - HN GLU- 107 5.556% * 0.0358% (0.06 0.02 0.02) = 0.036% QG2 THR 46 - HN GLU- 107 5.556% * 0.0358% (0.06 0.02 0.02) = 0.036% HB3 LYS+ 20 - HN GLU- 107 5.556% * 0.0207% (0.04 0.02 0.02) = 0.021% QB ALA 11 - HN GLU- 107 5.556% * 0.0184% (0.03 0.02 0.02) = 0.018% Peak 206 (0.67, 8.49, 124.44 ppm): 24 chemical-shift based assignments, quality = 0.454, support = 3.75, residual support = 21.2: QD1 ILE 19 - HN GLU- 18 4.167% * 41.2214% (0.42 4.80 25.23) = 41.221% kept HG12 ILE 19 - HN GLU- 18 4.167% * 40.8024% (0.52 3.86 25.23) = 40.802% kept QG2 VAL 94 - HN GLU- 18 4.167% * 13.7906% (0.49 1.39 3.64) = 13.791% kept QG2 ILE 101 - HN GLU- 107 4.167% * 1.0208% (0.09 0.56 0.02) = 1.021% kept QG1 VAL 62 - HN GLU- 10 4.167% * 0.3540% (0.87 0.02 0.02) = 0.354% QG2 ILE 48 - HN GLU- 10 4.167% * 0.3455% (0.85 0.02 0.02) = 0.345% QG1 VAL 62 - HN GLU- 18 4.167% * 0.3260% (0.80 0.02 0.02) = 0.326% QG2 ILE 48 - HN GLU- 18 4.167% * 0.3181% (0.78 0.02 0.02) = 0.318% HG12 ILE 19 - HN GLU- 10 4.167% * 0.2295% (0.56 0.02 0.02) = 0.230% QG2 VAL 94 - HN GLU- 10 4.167% * 0.2152% (0.53 0.02 0.02) = 0.215% QG2 ILE 68 - HN GLU- 10 4.167% * 0.2152% (0.53 0.02 0.02) = 0.215% QG2 ILE 68 - HN GLU- 18 4.167% * 0.1981% (0.49 0.02 0.02) = 0.198% QD1 ILE 19 - HN GLU- 10 4.167% * 0.1867% (0.46 0.02 0.02) = 0.187% QG2 ILE 101 - HN GLU- 10 4.167% * 0.1776% (0.44 0.02 0.02) = 0.178% QG2 ILE 101 - HN GLU- 18 4.167% * 0.1635% (0.40 0.02 0.52) = 0.164% QG1 VAL 62 - HN GLU- 107 4.167% * 0.0730% (0.18 0.02 0.02) = 0.073% QG2 ILE 48 - HN GLU- 107 4.167% * 0.0713% (0.17 0.02 0.02) = 0.071% QG1 VAL 65 - HN GLU- 10 4.167% * 0.0547% (0.13 0.02 0.02) = 0.055% QG1 VAL 65 - HN GLU- 18 4.167% * 0.0504% (0.12 0.02 0.02) = 0.050% HG12 ILE 19 - HN GLU- 107 4.167% * 0.0473% (0.12 0.02 0.02) = 0.047% QG2 ILE 68 - HN GLU- 107 4.167% * 0.0444% (0.11 0.02 0.02) = 0.044% QG2 VAL 94 - HN GLU- 107 4.167% * 0.0444% (0.11 0.02 0.02) = 0.044% QD1 ILE 19 - HN GLU- 107 4.167% * 0.0385% (0.09 0.02 0.02) = 0.039% QG1 VAL 65 - HN GLU- 107 4.167% * 0.0113% (0.03 0.02 0.02) = 0.011% Peak 207 (4.69, 8.96, 124.53 ppm): 24 chemical-shift based assignments, quality = 0.744, support = 3.87, residual support = 18.1: * O HA GLN 16 - HN LEU 17 4.167% * 96.4422% (0.76 10.0 3.96 18.76) = 96.442% kept HA GLN 16 - HN ILE 19 4.167% * 2.9118% (0.27 1.0 1.68 1.50) = 2.912% kept HA ASN 89 - HN LEU 17 4.167% * 0.0964% (0.76 1.0 0.02 0.02) = 0.096% HA VAL 99 - HN LEU 17 4.167% * 0.0765% (0.61 1.0 0.02 0.32) = 0.077% HA TYR 83 - HN LEU 17 4.167% * 0.0664% (0.53 1.0 0.02 0.02) = 0.066% HA THR 61 - HN LEU 17 4.167% * 0.0566% (0.45 1.0 0.02 0.02) = 0.057% HA THR 39 - HN LEU 17 4.167% * 0.0389% (0.31 1.0 0.02 0.02) = 0.039% HA PRO 35 - HN LEU 17 4.167% * 0.0389% (0.31 1.0 0.02 0.02) = 0.039% HA ASN 89 - HN ILE 19 4.167% * 0.0346% (0.27 1.0 0.02 0.02) = 0.035% HA2 GLY 30 - HN LEU 17 4.167% * 0.0315% (0.25 1.0 0.02 2.50) = 0.031% HA VAL 99 - HN ILE 19 4.167% * 0.0275% (0.22 1.0 0.02 0.02) = 0.027% HA TYR 83 - HN ILE 19 4.167% * 0.0238% (0.19 1.0 0.02 0.02) = 0.024% HA THR 61 - HN ILE 19 4.167% * 0.0203% (0.16 1.0 0.02 0.47) = 0.020% HA GLN 16 - HN THR 96 4.167% * 0.0183% (0.14 1.0 0.02 0.02) = 0.018% HA ASN 89 - HN THR 96 4.167% * 0.0183% (0.14 1.0 0.02 0.02) = 0.018% HA VAL 99 - HN THR 96 4.167% * 0.0145% (0.11 1.0 0.02 0.02) = 0.015% HA THR 39 - HN ILE 19 4.167% * 0.0140% (0.11 1.0 0.02 0.14) = 0.014% HA PRO 35 - HN ILE 19 4.167% * 0.0140% (0.11 1.0 0.02 0.02) = 0.014% HA TYR 83 - HN THR 96 4.167% * 0.0126% (0.10 1.0 0.02 0.02) = 0.013% HA2 GLY 30 - HN ILE 19 4.167% * 0.0113% (0.09 1.0 0.02 0.02) = 0.011% HA THR 61 - HN THR 96 4.167% * 0.0107% (0.08 1.0 0.02 0.02) = 0.011% HA PRO 35 - HN THR 96 4.167% * 0.0074% (0.06 1.0 0.02 0.02) = 0.007% HA THR 39 - HN THR 96 4.167% * 0.0074% (0.06 1.0 0.02 0.02) = 0.007% HA2 GLY 30 - HN THR 96 4.167% * 0.0060% (0.05 1.0 0.02 0.02) = 0.006% Peak 208 (1.72, 8.96, 124.53 ppm): 15 chemical-shift based assignments, quality = 0.956, support = 3.23, residual support = 17.7: * HB2 GLN 16 - HN LEU 17 6.667% * 94.2635% (1.00 3.41 18.76) = 94.263% kept HB2 GLN 16 - HN ILE 19 6.667% * 4.2276% (0.36 0.43 1.50) = 4.228% kept HB2 GLN 16 - HN THR 96 6.667% * 0.8191% (0.19 0.16 0.02) = 0.819% HB ILE 48 - HN LEU 17 6.667% * 0.1538% (0.28 0.02 0.02) = 0.154% HG2 PRO 52 - HN LEU 17 6.667% * 0.1095% (0.20 0.02 2.64) = 0.109% HB3 LEU 23 - HN LEU 17 6.667% * 0.0969% (0.17 0.02 0.13) = 0.097% HB2 LYS+ 117 - HN LEU 17 6.667% * 0.0853% (0.15 0.02 0.02) = 0.085% HB ILE 48 - HN ILE 19 6.667% * 0.0552% (0.10 0.02 0.02) = 0.055% HG2 PRO 52 - HN ILE 19 6.667% * 0.0393% (0.07 0.02 0.02) = 0.039% HB3 LEU 23 - HN ILE 19 6.667% * 0.0348% (0.06 0.02 0.02) = 0.035% HB2 LYS+ 117 - HN ILE 19 6.667% * 0.0306% (0.06 0.02 0.02) = 0.031% HB ILE 48 - HN THR 96 6.667% * 0.0292% (0.05 0.02 0.02) = 0.029% HG2 PRO 52 - HN THR 96 6.667% * 0.0208% (0.04 0.02 0.02) = 0.021% HB3 LEU 23 - HN THR 96 6.667% * 0.0184% (0.03 0.02 0.02) = 0.018% HB2 LYS+ 117 - HN THR 96 6.667% * 0.0162% (0.03 0.02 0.02) = 0.016% Peak 209 (8.96, 8.96, 124.53 ppm): 3 diagonal assignments: * HN LEU 17 - HN LEU 17 (1.00) kept HN ILE 19 - HN ILE 19 (0.22) kept HN THR 96 - HN THR 96 (0.13) kept Peak 210 (4.55, 8.96, 124.53 ppm): 12 chemical-shift based assignments, quality = 0.963, support = 3.82, residual support = 84.6: * O HA LEU 17 - HN LEU 17 8.333% * 94.8898% (1.00 10.0 3.87 88.43) = 94.890% kept HA LEU 17 - HN ILE 19 8.333% * 4.9160% (0.36 1.0 2.89 13.75) = 4.916% kept HA ALA 103 - HN LEU 17 8.333% * 0.0727% (0.76 1.0 0.02 0.02) = 0.073% HA LYS+ 78 - HN LEU 17 8.333% * 0.0264% (0.28 1.0 0.02 0.02) = 0.026% HA ALA 103 - HN ILE 19 8.333% * 0.0261% (0.27 1.0 0.02 0.02) = 0.026% HA LEU 17 - HN THR 96 8.333% * 0.0180% (0.19 1.0 0.02 0.22) = 0.018% HB THR 46 - HN LEU 17 8.333% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% HA ALA 103 - HN THR 96 8.333% * 0.0138% (0.14 1.0 0.02 0.02) = 0.014% HA LYS+ 78 - HN ILE 19 8.333% * 0.0095% (0.10 1.0 0.02 0.02) = 0.009% HB THR 46 - HN ILE 19 8.333% * 0.0053% (0.06 1.0 0.02 0.02) = 0.005% HA LYS+ 78 - HN THR 96 8.333% * 0.0050% (0.05 1.0 0.02 0.02) = 0.005% HB THR 46 - HN THR 96 8.333% * 0.0028% (0.03 1.0 0.02 0.02) = 0.003% Peak 211 (1.89, 8.96, 124.53 ppm): 36 chemical-shift based assignments, quality = 0.789, support = 3.32, residual support = 22.7: * HB3 GLN 16 - HN LEU 17 2.778% * 41.3353% (0.98 3.72 18.76) = 41.335% kept HG2 GLU- 18 - HN LEU 17 2.778% * 30.8503% (0.98 2.78 33.06) = 30.850% kept HG2 GLU- 18 - HN ILE 19 2.778% * 18.5765% (0.35 4.66 25.23) = 18.576% kept HB3 GLN 16 - HN ILE 19 2.778% * 4.1164% (0.35 1.03 1.50) = 4.116% kept HG2 GLU- 18 - HN THR 96 2.778% * 1.9107% (0.19 0.91 0.02) = 1.911% kept HG2 PRO 112 - HN ILE 19 2.778% * 0.9061% (0.09 0.90 1.03) = 0.906% HD3 PRO 52 - HN LEU 17 2.778% * 0.5851% (0.61 0.09 2.64) = 0.585% HB3 CYS 123 - HN LEU 17 2.778% * 0.1892% (0.83 0.02 0.02) = 0.189% HG3 LYS+ 120 - HN LEU 17 2.778% * 0.1892% (0.83 0.02 0.02) = 0.189% HB3 ARG+ 53 - HN LEU 17 2.778% * 0.1556% (0.69 0.02 0.02) = 0.156% HB2 PRO 112 - HN LEU 17 2.778% * 0.1446% (0.64 0.02 0.02) = 0.145% HB3 ARG+ 84 - HN LEU 17 2.778% * 0.1283% (0.57 0.02 1.73) = 0.128% HB3 GLN 102 - HN LEU 17 2.778% * 0.0931% (0.41 0.02 0.02) = 0.093% HB3 CYS 123 - HN ILE 19 2.778% * 0.0679% (0.30 0.02 0.02) = 0.068% HG3 LYS+ 120 - HN ILE 19 2.778% * 0.0679% (0.30 0.02 0.02) = 0.068% HD3 LYS+ 63 - HN LEU 17 2.778% * 0.0565% (0.25 0.02 0.02) = 0.056% HB3 ARG+ 53 - HN ILE 19 2.778% * 0.0559% (0.25 0.02 0.02) = 0.056% HG2 PRO 112 - HN LEU 17 2.778% * 0.0559% (0.25 0.02 0.02) = 0.056% HB2 PRO 112 - HN ILE 19 2.778% * 0.0519% (0.23 0.02 1.03) = 0.052% HD3 PRO 52 - HN ILE 19 2.778% * 0.0493% (0.22 0.02 0.02) = 0.049% HB3 ARG+ 84 - HN ILE 19 2.778% * 0.0460% (0.20 0.02 0.02) = 0.046% HB3 GLN 16 - HN THR 96 2.778% * 0.0421% (0.19 0.02 0.02) = 0.042% HB3 CYS 123 - HN THR 96 2.778% * 0.0359% (0.16 0.02 0.02) = 0.036% HG3 LYS+ 120 - HN THR 96 2.778% * 0.0359% (0.16 0.02 0.02) = 0.036% HD2 PRO 59 - HN LEU 17 2.778% * 0.0350% (0.15 0.02 0.02) = 0.035% HB3 GLN 102 - HN ILE 19 2.778% * 0.0334% (0.15 0.02 0.02) = 0.033% HB3 ARG+ 53 - HN THR 96 2.778% * 0.0295% (0.13 0.02 0.02) = 0.030% HB2 PRO 112 - HN THR 96 2.778% * 0.0274% (0.12 0.02 0.02) = 0.027% HD3 PRO 52 - HN THR 96 2.778% * 0.0261% (0.11 0.02 0.02) = 0.026% HB3 ARG+ 84 - HN THR 96 2.778% * 0.0243% (0.11 0.02 0.02) = 0.024% HD3 LYS+ 63 - HN ILE 19 2.778% * 0.0203% (0.09 0.02 0.02) = 0.020% HB3 GLN 102 - HN THR 96 2.778% * 0.0177% (0.08 0.02 0.02) = 0.018% HD2 PRO 59 - HN ILE 19 2.778% * 0.0125% (0.06 0.02 0.02) = 0.013% HD3 LYS+ 63 - HN THR 96 2.778% * 0.0107% (0.05 0.02 0.02) = 0.011% HG2 PRO 112 - HN THR 96 2.778% * 0.0106% (0.05 0.02 0.02) = 0.011% HD2 PRO 59 - HN THR 96 2.778% * 0.0066% (0.03 0.02 0.02) = 0.007% Peak 212 (1.34, 8.96, 124.53 ppm): 18 chemical-shift based assignments, quality = 0.443, support = 4.38, residual support = 77.9: * O HB3 LEU 17 - HN LEU 17 5.556% * 85.7396% (0.49 10.0 4.75 88.43) = 85.740% kept HB3 LEU 17 - HN ILE 19 5.556% * 4.3483% (0.17 1.0 2.83 13.75) = 4.348% kept HB3 LYS+ 20 - HN LEU 17 5.556% * 3.5921% (0.31 1.0 1.32 1.08) = 3.592% kept HB3 LYS+ 20 - HN ILE 19 5.556% * 3.1681% (0.11 1.0 3.25 45.44) = 3.168% kept HB2 ARG+ 22 - HN ILE 19 5.556% * 2.3456% (0.19 1.0 1.41 1.75) = 2.346% kept HB2 ARG+ 22 - HN LEU 17 5.556% * 0.4602% (0.53 1.0 0.10 0.02) = 0.460% HG3 LYS+ 81 - HN LEU 17 5.556% * 0.1068% (0.61 1.0 0.02 0.02) = 0.107% QB ALA 11 - HN LEU 17 5.556% * 0.0490% (0.28 1.0 0.02 0.02) = 0.049% QG2 THR 46 - HN LEU 17 5.556% * 0.0392% (0.22 1.0 0.02 0.02) = 0.039% HG3 LYS+ 81 - HN ILE 19 5.556% * 0.0384% (0.22 1.0 0.02 0.02) = 0.038% HG3 LYS+ 81 - HN THR 96 5.556% * 0.0203% (0.11 1.0 0.02 0.02) = 0.020% QB ALA 11 - HN ILE 19 5.556% * 0.0176% (0.10 1.0 0.02 0.02) = 0.018% HB2 ARG+ 22 - HN THR 96 5.556% * 0.0176% (0.10 1.0 0.02 0.02) = 0.018% HB3 LEU 17 - HN THR 96 5.556% * 0.0163% (0.09 1.0 0.02 0.22) = 0.016% QG2 THR 46 - HN ILE 19 5.556% * 0.0141% (0.08 1.0 0.02 0.02) = 0.014% HB3 LYS+ 20 - HN THR 96 5.556% * 0.0103% (0.06 1.0 0.02 1.81) = 0.010% QB ALA 11 - HN THR 96 5.556% * 0.0093% (0.05 1.0 0.02 0.02) = 0.009% QG2 THR 46 - HN THR 96 5.556% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% Peak 213 (0.90, 8.96, 124.53 ppm): 30 chemical-shift based assignments, quality = 0.692, support = 0.22, residual support = 0.0188: QG2 VAL 87 - HN LEU 17 3.333% * 30.3736% (1.00 0.29 0.02) = 30.374% kept QD1 LEU 67 - HN LEU 17 3.333% * 24.1398% (0.94 0.24 0.02) = 24.140% kept QG2 VAL 125 - HN ILE 19 3.333% * 9.0333% (0.19 0.45 0.02) = 9.033% kept QG1 VAL 47 - HN ILE 19 3.333% * 8.5724% (0.35 0.23 0.02) = 8.572% kept QD1 LEU 67 - HN ILE 19 3.333% * 3.5213% (0.34 0.10 0.02) = 3.521% kept QG2 VAL 87 - HN ILE 19 3.333% * 2.8965% (0.36 0.08 0.02) = 2.896% kept QG2 VAL 40 - HN THR 96 3.333% * 2.3514% (0.19 0.12 0.02) = 2.351% kept QG2 VAL 40 - HN LEU 17 3.333% * 2.1128% (1.00 0.02 0.02) = 2.113% kept QG1 VAL 47 - HN LEU 17 3.333% * 2.0756% (0.98 0.02 0.02) = 2.076% kept HG3 LYS+ 110 - HN LEU 17 3.333% * 2.0203% (0.22 0.09 0.02) = 2.020% kept HG3 LYS+ 117 - HN LEU 17 3.333% * 1.8990% (0.90 0.02 0.02) = 1.899% kept QD1 LEU 67 - HN THR 96 3.333% * 1.8383% (0.18 0.10 0.02) = 1.838% kept QG1 VAL 80 - HN LEU 17 3.333% * 1.8368% (0.87 0.02 0.02) = 1.837% kept QG2 VAL 125 - HN LEU 17 3.333% * 1.1141% (0.53 0.02 0.02) = 1.114% kept QG2 VAL 40 - HN ILE 19 3.333% * 0.7585% (0.36 0.02 0.02) = 0.759% HG3 LYS+ 110 - HN ILE 19 3.333% * 0.7253% (0.08 0.09 0.02) = 0.725% HG3 LYS+ 117 - HN ILE 19 3.333% * 0.6818% (0.32 0.02 0.02) = 0.682% QG1 VAL 80 - HN ILE 19 3.333% * 0.6594% (0.31 0.02 0.02) = 0.659% QG2 VAL 80 - HN LEU 17 3.333% * 0.6536% (0.31 0.02 0.02) = 0.654% QG2 VAL 87 - HN THR 96 3.333% * 0.4006% (0.19 0.02 0.02) = 0.401% QG1 VAL 47 - HN THR 96 3.333% * 0.3936% (0.19 0.02 0.02) = 0.394% HG12 ILE 68 - HN LEU 17 3.333% * 0.3708% (0.17 0.02 0.02) = 0.371% HG3 LYS+ 117 - HN THR 96 3.333% * 0.3601% (0.17 0.02 0.02) = 0.360% QG1 VAL 80 - HN THR 96 3.333% * 0.3483% (0.16 0.02 0.02) = 0.348% QG2 VAL 80 - HN ILE 19 3.333% * 0.2346% (0.11 0.02 0.02) = 0.235% QG2 VAL 125 - HN THR 96 3.333% * 0.2112% (0.10 0.02 0.02) = 0.211% HG12 ILE 68 - HN ILE 19 3.333% * 0.1331% (0.06 0.02 0.02) = 0.133% QG2 VAL 80 - HN THR 96 3.333% * 0.1239% (0.06 0.02 0.02) = 0.124% HG3 LYS+ 110 - HN THR 96 3.333% * 0.0894% (0.04 0.02 0.02) = 0.089% HG12 ILE 68 - HN THR 96 3.333% * 0.0703% (0.03 0.02 0.02) = 0.070% Reference assignment not found: QD1 LEU 17 - HN LEU 17 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 214 (1.57, 8.96, 124.53 ppm): 33 chemical-shift based assignments, quality = 0.594, support = 4.66, residual support = 68.5: O HB ILE 19 - HN ILE 19 3.030% * 41.2120% (0.34 10.0 6.18 96.53) = 41.212% kept * HG LEU 17 - HN LEU 17 3.030% * 29.2962% (0.92 1.0 5.23 88.43) = 29.296% kept HB ILE 19 - HN LEU 17 3.030% * 13.9946% (0.94 1.0 2.44 13.75) = 13.995% kept HG LEU 17 - HN ILE 19 3.030% * 5.4789% (0.33 1.0 2.72 13.75) = 5.479% kept HB3 LYS+ 32 - HN LEU 17 3.030% * 3.1258% (0.69 1.0 0.75 0.59) = 3.126% kept HB ILE 19 - HN THR 96 3.030% * 1.9177% (0.18 1.0 1.76 5.70) = 1.918% kept HB3 LYS+ 32 - HN ILE 19 3.030% * 1.5794% (0.25 1.0 1.06 0.49) = 1.579% kept HD3 LYS+ 60 - HN ILE 19 3.030% * 1.5791% (0.31 1.0 0.84 0.42) = 1.579% kept HD3 LYS+ 60 - HN THR 96 3.030% * 0.5792% (0.16 1.0 0.58 0.02) = 0.579% QB ALA 42 - HN THR 96 3.030% * 0.5215% (0.10 1.0 0.86 0.02) = 0.522% HD3 LYS+ 60 - HN LEU 17 3.030% * 0.1053% (0.87 1.0 0.02 0.02) = 0.105% HD3 LYS+ 81 - HN LEU 17 3.030% * 0.0972% (0.80 1.0 0.02 0.02) = 0.097% QB ALA 42 - HN LEU 17 3.030% * 0.0638% (0.53 1.0 0.02 0.02) = 0.064% HG12 ILE 29 - HN LEU 17 3.030% * 0.0638% (0.53 1.0 0.02 17.08) = 0.064% HB3 LEU 90 - HN LEU 17 3.030% * 0.0544% (0.45 1.0 0.02 0.17) = 0.054% HG13 ILE 29 - HN LEU 17 3.030% * 0.0414% (0.34 1.0 0.02 17.08) = 0.041% HD3 LYS+ 81 - HN ILE 19 3.030% * 0.0349% (0.29 1.0 0.02 0.02) = 0.035% QG2 THR 24 - HN LEU 17 3.030% * 0.0303% (0.25 1.0 0.02 0.02) = 0.030% HD3 LYS+ 32 - HN LEU 17 3.030% * 0.0270% (0.22 1.0 0.02 0.59) = 0.027% QB ALA 42 - HN ILE 19 3.030% * 0.0229% (0.19 1.0 0.02 0.02) = 0.023% HG12 ILE 29 - HN ILE 19 3.030% * 0.0229% (0.19 1.0 0.02 0.02) = 0.023% HG LEU 17 - HN THR 96 3.030% * 0.0212% (0.17 1.0 0.02 0.22) = 0.021% HB3 LEU 90 - HN ILE 19 3.030% * 0.0195% (0.16 1.0 0.02 0.29) = 0.020% HD3 LYS+ 81 - HN THR 96 3.030% * 0.0184% (0.15 1.0 0.02 0.02) = 0.018% HB3 LYS+ 32 - HN THR 96 3.030% * 0.0158% (0.13 1.0 0.02 0.02) = 0.016% HG13 ILE 29 - HN ILE 19 3.030% * 0.0149% (0.12 1.0 0.02 0.02) = 0.015% HG12 ILE 29 - HN THR 96 3.030% * 0.0121% (0.10 1.0 0.02 0.02) = 0.012% QG2 THR 24 - HN ILE 19 3.030% * 0.0109% (0.09 1.0 0.02 0.02) = 0.011% HB3 LEU 90 - HN THR 96 3.030% * 0.0103% (0.08 1.0 0.02 0.02) = 0.010% HD3 LYS+ 32 - HN ILE 19 3.030% * 0.0097% (0.08 1.0 0.02 0.49) = 0.010% HG13 ILE 29 - HN THR 96 3.030% * 0.0078% (0.06 1.0 0.02 0.02) = 0.008% QG2 THR 24 - HN THR 96 3.030% * 0.0057% (0.05 1.0 0.02 0.02) = 0.006% HD3 LYS+ 32 - HN THR 96 3.030% * 0.0051% (0.04 1.0 0.02 0.02) = 0.005% Peak 215 (0.93, 8.58, 124.50 ppm): 13 chemical-shift based assignments, quality = 0.616, support = 2.1, residual support = 12.8: * QG2 VAL 73 - HN VAL 73 7.692% * 50.2996% (0.48 3.79 24.82) = 50.300% kept HG12 ILE 68 - HN VAL 73 7.692% * 14.5195% (0.98 0.54 1.95) = 14.519% kept QG2 VAL 80 - HN VAL 73 7.692% * 8.5382% (0.86 0.36 0.57) = 8.538% kept QG2 VAL 62 - HN VAL 73 7.692% * 8.0781% (0.60 0.49 0.02) = 8.078% kept QG2 VAL 105 - HN VAL 73 7.692% * 5.1071% (0.96 0.19 0.02) = 5.107% kept QG1 VAL 105 - HN VAL 73 7.692% * 4.5068% (0.92 0.18 0.02) = 4.507% kept QD1 LEU 67 - HN VAL 73 7.692% * 3.2270% (0.22 0.53 0.02) = 3.227% kept HG3 LYS+ 117 - HN VAL 73 7.692% * 3.0789% (0.28 0.41 0.13) = 3.079% kept QG1 VAL 47 - HN VAL 73 7.692% * 1.2834% (0.17 0.27 0.02) = 1.283% kept HG3 LYS+ 110 - HN VAL 73 7.692% * 0.5163% (0.94 0.02 0.02) = 0.516% QD1 LEU 17 - HN VAL 73 7.692% * 0.5163% (0.94 0.02 0.02) = 0.516% QG2 ILE 29 - HN VAL 73 7.692% * 0.2447% (0.45 0.02 0.02) = 0.245% QG2 VAL 99 - HN VAL 73 7.692% * 0.0842% (0.15 0.02 0.02) = 0.084% Peak 216 (4.57, 8.58, 124.50 ppm): 4 chemical-shift based assignments, quality = 0.642, support = 4.23, residual support = 14.8: * O HA LYS+ 72 - HN VAL 73 25.000% * 99.7697% (0.64 10.0 4.24 14.86) = 99.770% kept HA LYS+ 78 - HN VAL 73 25.000% * 0.1539% (0.99 1.0 0.02 0.02) = 0.154% HA LEU 17 - HN VAL 73 25.000% * 0.0526% (0.34 1.0 0.02 0.02) = 0.053% HA ASP- 25 - HN VAL 73 25.000% * 0.0238% (0.15 1.0 0.02 0.02) = 0.024% Peak 217 (8.58, 8.58, 124.50 ppm): 1 diagonal assignment: * HN VAL 73 - HN VAL 73 (0.99) kept Peak 218 (1.95, 8.58, 124.50 ppm): 14 chemical-shift based assignments, quality = 0.265, support = 2.93, residual support = 22.8: * O HB VAL 73 - HN VAL 73 7.143% * 91.9467% (0.25 10.0 3.18 24.82) = 91.947% kept HG3 PRO 116 - HN VAL 73 7.143% * 2.1686% (0.80 1.0 0.15 0.02) = 2.169% kept HB2 PRO 116 - HN VAL 73 7.143% * 1.9666% (0.72 1.0 0.15 0.02) = 1.967% kept HG2 PRO 112 - HN VAL 73 7.143% * 1.4273% (0.38 1.0 0.20 0.41) = 1.427% kept HB3 LYS+ 55 - HN VAL 73 7.143% * 0.3679% (0.99 1.0 0.02 0.02) = 0.368% HG3 PRO 31 - HN VAL 73 7.143% * 0.3655% (0.99 1.0 0.02 0.02) = 0.365% HB2 GLU- 75 - HN VAL 73 7.143% * 0.3559% (0.96 1.0 0.02 0.02) = 0.356% HB2 PRO 35 - HN VAL 73 7.143% * 0.3199% (0.86 1.0 0.02 0.02) = 0.320% HB VAL 13 - HN VAL 73 7.143% * 0.2818% (0.76 1.0 0.02 0.02) = 0.282% HB2 GLU- 10 - HN VAL 73 7.143% * 0.2678% (0.72 1.0 0.02 0.02) = 0.268% HB3 GLU- 109 - HN VAL 73 7.143% * 0.2385% (0.64 1.0 0.02 0.02) = 0.239% HB ILE 29 - HN VAL 73 7.143% * 0.1384% (0.37 1.0 0.02 0.02) = 0.138% HB2 LEU 23 - HN VAL 73 7.143% * 0.0821% (0.22 1.0 0.02 0.02) = 0.082% HG3 PRO 104 - HN VAL 73 7.143% * 0.0730% (0.20 1.0 0.02 0.02) = 0.073% Peak 219 (1.82, 8.58, 124.50 ppm): 11 chemical-shift based assignments, quality = 0.727, support = 3.43, residual support = 13.0: HD3 LYS+ 72 - HN VAL 73 9.091% * 69.3624% (0.86 3.65 14.86) = 69.362% kept * HB3 LYS+ 72 - HN VAL 73 9.091% * 18.1182% (0.17 4.72 14.86) = 18.118% kept HD3 LYS+ 117 - HN VAL 73 9.091% * 9.9713% (0.98 0.46 0.13) = 9.971% kept HB3 LYS+ 60 - HN VAL 73 9.091% * 0.9707% (0.20 0.22 0.02) = 0.971% HG3 LYS+ 108 - HN VAL 73 9.091% * 0.4227% (0.96 0.02 0.02) = 0.423% HB2 PRO 59 - HN VAL 73 9.091% * 0.3658% (0.83 0.02 0.02) = 0.366% HB2 GLU- 109 - HN VAL 73 9.091% * 0.3347% (0.76 0.02 0.02) = 0.335% HB2 LYS+ 66 - HN VAL 73 9.091% * 0.2132% (0.48 0.02 0.02) = 0.213% HB3 LYS+ 63 - HN VAL 73 9.091% * 0.0867% (0.20 0.02 0.02) = 0.087% HB3 LYS+ 108 - HN VAL 73 9.091% * 0.0867% (0.20 0.02 0.02) = 0.087% HB2 PRO 104 - HN VAL 73 9.091% * 0.0676% (0.15 0.02 0.02) = 0.068% Peak 220 (4.17, 8.58, 124.50 ppm): 7 chemical-shift based assignments, quality = 0.765, support = 3.76, residual support = 23.8: * O HA VAL 73 - HN VAL 73 14.286% * 95.7196% (0.76 10.0 3.91 24.82) = 95.720% kept HB THR 106 - HN VAL 73 14.286% * 1.9836% (0.94 1.0 0.33 0.11) = 1.984% kept HA VAL 105 - HN VAL 73 14.286% * 1.9836% (0.94 1.0 0.33 0.02) = 1.984% kept HB3 SER 49 - HN VAL 73 14.286% * 0.1199% (0.95 1.0 0.02 0.02) = 0.120% HA VAL 65 - HN VAL 73 14.286% * 0.0860% (0.68 1.0 0.02 0.02) = 0.086% HA VAL 87 - HN VAL 73 14.286% * 0.0760% (0.60 1.0 0.02 0.02) = 0.076% HB2 SER 88 - HN VAL 73 14.286% * 0.0312% (0.25 1.0 0.02 0.02) = 0.031% Peak 221 (1.53, 8.58, 124.50 ppm): 5 chemical-shift based assignments, quality = 0.468, support = 3.99, residual support = 14.8: * HG3 LYS+ 72 - HN VAL 73 20.000% * 52.6975% (0.52 3.77 14.86) = 52.697% kept HB2 LYS+ 72 - HN VAL 73 20.000% * 46.8851% (0.41 4.29 14.86) = 46.885% kept HD3 LYS+ 108 - HN VAL 73 20.000% * 0.1642% (0.31 0.02 0.02) = 0.164% QG2 THR 24 - HN VAL 73 20.000% * 0.1479% (0.28 0.02 0.02) = 0.148% HG13 ILE 29 - HN VAL 73 20.000% * 0.1053% (0.20 0.02 0.02) = 0.105% Peak 222 (4.72, 8.58, 124.50 ppm): 6 chemical-shift based assignments, quality = 0.853, support = 0.211, residual support = 0.123: HA THR 39 - HN VAL 73 16.667% * 64.4320% (0.89 0.29 0.18) = 64.432% kept HA THR 61 - HN VAL 73 16.667% * 20.7155% (0.76 0.11 0.02) = 20.716% kept HA LYS+ 20 - HN VAL 73 16.667% * 4.8837% (0.98 0.02 0.02) = 4.884% kept HA2 GLY 30 - HN VAL 73 16.667% * 4.7131% (0.94 0.02 0.02) = 4.713% kept HA VAL 99 - HN VAL 73 16.667% * 3.0220% (0.60 0.02 0.02) = 3.022% kept HA GLN 16 - HN VAL 73 16.667% * 2.2337% (0.45 0.02 0.02) = 2.234% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 225 (8.73, 8.74, 124.39 ppm): 1 diagonal assignment: * HN GLU- 56 - HN GLU- 56 (0.87) kept Peak 226 (4.51, 8.74, 124.39 ppm): 7 chemical-shift based assignments, quality = 0.995, support = 3.58, residual support = 16.5: * O HA LYS+ 55 - HN GLU- 56 14.286% * 99.6737% (1.00 10.0 3.59 16.54) = 99.674% kept HB THR 79 - HN GLU- 56 14.286% * 0.0894% (0.90 1.0 0.02 0.02) = 0.089% HB THR 46 - HN GLU- 56 14.286% * 0.0865% (0.87 1.0 0.02 0.02) = 0.086% HA CYS 123 - HN GLU- 56 14.286% * 0.0564% (0.57 1.0 0.02 0.02) = 0.056% HA SER 77 - HN GLU- 56 14.286% * 0.0564% (0.57 1.0 0.02 0.02) = 0.056% HA ALA 103 - HN GLU- 56 14.286% * 0.0222% (0.22 1.0 0.02 0.02) = 0.022% HA LYS+ 32 - HN GLU- 56 14.286% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 227 (1.96, 8.74, 124.39 ppm): 15 chemical-shift based assignments, quality = 0.599, support = 3.97, residual support = 25.7: * O HB3 GLU- 56 - HN GLU- 56 6.667% * 79.3587% (0.61 10.0 4.14 28.94) = 79.359% kept HB3 LYS+ 55 - HN GLU- 56 6.667% * 16.7351% (0.65 1.0 3.95 16.54) = 16.735% kept HG2 PRO 112 - HN GLU- 56 6.667% * 2.4407% (0.43 1.0 0.88 0.14) = 2.441% kept HG3 PRO 116 - HN GLU- 56 6.667% * 0.6048% (0.94 1.0 0.10 0.02) = 0.605% HB3 GLU- 109 - HN GLU- 56 6.667% * 0.1305% (1.00 1.0 0.02 0.02) = 0.131% HB VAL 13 - HN GLU- 56 6.667% * 0.1263% (0.96 1.0 0.02 0.02) = 0.126% HB2 PRO 35 - HN GLU- 56 6.667% * 0.1173% (0.90 1.0 0.02 0.02) = 0.117% HB VAL 73 - HN GLU- 56 6.667% * 0.1048% (0.80 1.0 0.02 0.02) = 0.105% HG3 PRO 104 - HN GLU- 56 6.667% * 0.0950% (0.73 1.0 0.02 0.02) = 0.095% HG3 PRO 31 - HN GLU- 56 6.667% * 0.0899% (0.69 1.0 0.02 0.02) = 0.090% HB2 GLU- 75 - HN GLU- 56 6.667% * 0.0587% (0.45 1.0 0.02 0.02) = 0.059% HB2 PRO 86 - HN GLU- 56 6.667% * 0.0538% (0.41 1.0 0.02 0.02) = 0.054% HB2 LYS+ 108 - HN GLU- 56 6.667% * 0.0326% (0.25 1.0 0.02 0.02) = 0.033% HB2 GLU- 10 - HN GLU- 56 6.667% * 0.0259% (0.20 1.0 0.02 0.02) = 0.026% HB2 PRO 116 - HN GLU- 56 6.667% * 0.0259% (0.20 1.0 0.02 0.02) = 0.026% Peak 228 (2.32, 8.74, 124.39 ppm): 6 chemical-shift based assignments, quality = 0.576, support = 2.95, residual support = 18.8: * HG3 GLU- 56 - HN GLU- 56 16.667% * 64.8814% (0.45 4.17 28.94) = 64.881% kept HG2 PRO 112 - HN GLU- 56 16.667% * 26.6375% (0.88 0.88 0.14) = 26.637% kept HB3 PRO 86 - HN GLU- 56 16.667% * 3.5452% (1.00 0.10 0.02) = 3.545% kept HG2 GLU- 64 - HN GLU- 56 16.667% * 3.1396% (0.41 0.22 0.02) = 3.140% kept HB3 PRO 116 - HN GLU- 56 16.667% * 1.1560% (0.34 0.10 0.02) = 1.156% kept HB2 TYR 83 - HN GLU- 56 16.667% * 0.6402% (0.92 0.02 0.02) = 0.640% Peak 229 (2.11, 8.74, 124.39 ppm): 13 chemical-shift based assignments, quality = 0.913, support = 4.07, residual support = 27.6: * O HB2 GLU- 56 - HN GLU- 56 7.692% * 95.4320% (0.92 10.0 4.23 28.94) = 95.432% kept HG2 PRO 112 - HN GLU- 56 7.692% * 3.8864% (0.86 1.0 0.88 0.14) = 3.886% kept HB3 LEU 43 - HN GLU- 56 7.692% * 0.1032% (1.00 1.0 0.02 0.02) = 0.103% HB3 GLU- 75 - HN GLU- 56 7.692% * 0.0995% (0.96 1.0 0.02 0.02) = 0.099% HB VAL 87 - HN GLU- 56 7.692% * 0.0978% (0.94 1.0 0.02 0.02) = 0.098% HB VAL 105 - HN GLU- 56 7.692% * 0.0751% (0.73 1.0 0.02 0.02) = 0.075% HB VAL 65 - HN GLU- 56 7.692% * 0.0751% (0.73 1.0 0.02 0.02) = 0.075% HB2 MET 118 - HN GLU- 56 7.692% * 0.0544% (0.53 1.0 0.02 0.02) = 0.054% HG2 GLU- 45 - HN GLU- 56 7.692% * 0.0544% (0.53 1.0 0.02 0.02) = 0.054% HB VAL 125 - HN GLU- 56 7.692% * 0.0388% (0.37 1.0 0.02 0.02) = 0.039% HB2 LYS+ 110 - HN GLU- 56 7.692% * 0.0319% (0.31 1.0 0.02 0.02) = 0.032% HD3 LYS+ 110 - HN GLU- 56 7.692% * 0.0258% (0.25 1.0 0.02 0.02) = 0.026% HB2 ASP- 28 - HN GLU- 56 7.692% * 0.0258% (0.25 1.0 0.02 0.02) = 0.026% Peak 230 (4.25, 8.74, 124.39 ppm): 21 chemical-shift based assignments, quality = 0.675, support = 4.27, residual support = 25.8: * O HA GLU- 56 - HN GLU- 56 4.762% * 89.0877% (0.69 10.0 4.66 28.94) = 89.088% kept HA GLU- 54 - HN GLU- 56 4.762% * 6.5511% (0.57 1.0 1.78 0.02) = 6.551% kept HA PRO 59 - HN GLU- 56 4.762% * 1.9582% (0.83 1.0 0.36 0.02) = 1.958% kept HA GLU- 64 - HN GLU- 56 4.762% * 1.1928% (0.83 1.0 0.22 0.02) = 1.193% kept HA ASN 119 - HN GLU- 56 4.762% * 0.1297% (1.00 1.0 0.02 0.02) = 0.130% HA GLU- 107 - HN GLU- 56 4.762% * 0.1297% (1.00 1.0 0.02 0.02) = 0.130% HA ASN 76 - HN GLU- 56 4.762% * 0.1294% (1.00 1.0 0.02 0.02) = 0.129% HA ALA 11 - HN GLU- 56 4.762% * 0.1271% (0.98 1.0 0.02 0.02) = 0.127% HA GLU- 75 - HN GLU- 56 4.762% * 0.1125% (0.87 1.0 0.02 0.02) = 0.113% HA LYS+ 108 - HN GLU- 56 4.762% * 0.0734% (0.57 1.0 0.02 0.02) = 0.073% HA GLU- 10 - HN GLU- 56 4.762% * 0.0734% (0.57 1.0 0.02 0.02) = 0.073% HA SER 85 - HN GLU- 56 4.762% * 0.0581% (0.45 1.0 0.02 0.02) = 0.058% HA ARG+ 84 - HN GLU- 56 4.762% * 0.0581% (0.45 1.0 0.02 0.02) = 0.058% HA PRO 52 - HN GLU- 56 4.762% * 0.0581% (0.45 1.0 0.02 0.02) = 0.058% HA VAL 94 - HN GLU- 56 4.762% * 0.0533% (0.41 1.0 0.02 1.53) = 0.053% HA ALA 42 - HN GLU- 56 4.762% * 0.0487% (0.37 1.0 0.02 0.02) = 0.049% HA SER 49 - HN GLU- 56 4.762% * 0.0400% (0.31 1.0 0.02 0.02) = 0.040% HB3 SER 49 - HN GLU- 56 4.762% * 0.0378% (0.29 1.0 0.02 0.02) = 0.038% HA VAL 122 - HN GLU- 56 4.762% * 0.0323% (0.25 1.0 0.02 0.02) = 0.032% HA LEU 90 - HN GLU- 56 4.762% * 0.0257% (0.20 1.0 0.02 0.02) = 0.026% HA GLU- 109 - HN GLU- 56 4.762% * 0.0227% (0.17 1.0 0.02 0.02) = 0.023% Peak 231 (7.81, 8.74, 124.39 ppm): 5 chemical-shift based assignments, quality = 0.897, support = 3.45, residual support = 13.0: * T HN LYS+ 55 - HN GLU- 56 20.000% * 78.2589% (0.99 10.00 4.15 16.54) = 78.259% kept T HN LYS+ 63 - HN GLU- 56 20.000% * 21.6435% (0.57 10.00 0.97 0.36) = 21.644% kept HN ALA 93 - HN GLU- 56 20.000% * 0.0603% (0.76 1.00 0.02 0.02) = 0.060% HN VAL 87 - HN GLU- 56 20.000% * 0.0197% (0.25 1.00 0.02 0.02) = 0.020% HN THR 46 - HN GLU- 56 20.000% * 0.0176% (0.22 1.00 0.02 0.02) = 0.018% Peak 232 (1.31, 8.74, 124.39 ppm): 6 chemical-shift based assignments, quality = 0.674, support = 3.07, residual support = 13.1: HB2 LYS+ 55 - HN GLU- 56 16.667% * 78.5195% (0.73 3.70 16.54) = 78.519% kept HG13 ILE 101 - HN GLU- 56 16.667% * 10.1249% (0.28 1.25 1.11) = 10.125% kept QG2 THR 46 - HN GLU- 56 16.667% * 9.3478% (0.76 0.42 0.02) = 9.348% kept HB2 ARG+ 22 - HN GLU- 56 16.667% * 1.3250% (0.41 0.11 0.02) = 1.325% kept QB ALA 103 - HN GLU- 56 16.667% * 0.5527% (0.94 0.02 0.02) = 0.553% HG2 LYS+ 81 - HN GLU- 56 16.667% * 0.1301% (0.22 0.02 0.02) = 0.130% Peak 233 (1.54, 7.73, 124.20 ppm): 9 chemical-shift based assignments, quality = 0.682, support = 3.6, residual support = 18.8: * O QB ALA 42 - HN ALA 42 11.111% * 99.3428% (0.69 10.0 3.63 18.89) = 99.343% kept QG2 THR 24 - HN ALA 42 11.111% * 0.1368% (0.94 1.0 0.02 0.02) = 0.137% HG13 ILE 29 - HN ALA 42 11.111% * 0.1255% (0.87 1.0 0.02 0.02) = 0.125% HB3 LEU 90 - HN ALA 42 11.111% * 0.1105% (0.76 1.0 0.02 0.02) = 0.111% HG12 ILE 29 - HN ALA 42 11.111% * 0.0993% (0.69 1.0 0.02 0.02) = 0.099% HD3 LYS+ 81 - HN ALA 42 11.111% * 0.0595% (0.41 1.0 0.02 0.02) = 0.059% HD3 LYS+ 60 - HN ALA 42 11.111% * 0.0493% (0.34 1.0 0.02 0.02) = 0.049% HG LEU 17 - HN ALA 42 11.111% * 0.0402% (0.28 1.0 0.02 0.02) = 0.040% HB ILE 19 - HN ALA 42 11.111% * 0.0361% (0.25 1.0 0.02 0.02) = 0.036% Peak 234 (7.72, 7.73, 124.20 ppm): 1 diagonal assignment: * HN ALA 42 - HN ALA 42 (0.92) kept Peak 235 (3.81, 7.73, 124.20 ppm): 5 chemical-shift based assignments, quality = 0.975, support = 1.65, residual support = 9.89: * HB3 SER 41 - HN ALA 42 20.000% * 96.6120% (1.00 1.71 10.23) = 96.612% kept HD3 PRO 112 - HN ALA 42 20.000% * 1.0687% (0.94 0.02 0.02) = 1.069% kept HD3 PRO 86 - HN ALA 42 20.000% * 0.9046% (0.80 0.02 0.02) = 0.905% HD3 PRO 116 - HN ALA 42 20.000% * 0.8203% (0.73 0.02 0.02) = 0.820% HA2 GLY 92 - HN ALA 42 20.000% * 0.5944% (0.53 0.02 0.02) = 0.594% Peak 236 (4.22, 7.73, 124.20 ppm): 10 chemical-shift based assignments, quality = 0.73, support = 3.13, residual support = 18.1: * O HA ALA 42 - HN ALA 42 10.000% * 95.8468% (0.73 10.0 3.24 18.89) = 95.847% kept HA GLU- 12 - HN ALA 42 10.000% * 3.5240% (0.98 1.0 0.54 0.02) = 3.524% kept HA GLU- 109 - HN ALA 42 10.000% * 0.1249% (0.94 1.0 0.02 0.02) = 0.125% HA SER 49 - HN ALA 42 10.000% * 0.1057% (0.80 1.0 0.02 0.02) = 0.106% HA ASP- 82 - HN ALA 42 10.000% * 0.0801% (0.61 1.0 0.02 0.02) = 0.080% HB3 SER 49 - HN ALA 42 10.000% * 0.0735% (0.56 1.0 0.02 0.02) = 0.074% HA LYS+ 108 - HN ALA 42 10.000% * 0.0694% (0.53 1.0 0.02 0.02) = 0.069% HA GLU- 10 - HN ALA 42 10.000% * 0.0694% (0.53 1.0 0.02 0.02) = 0.069% HA GLU- 54 - HN ALA 42 10.000% * 0.0694% (0.53 1.0 0.02 0.02) = 0.069% HA PRO 59 - HN ALA 42 10.000% * 0.0367% (0.28 1.0 0.02 0.02) = 0.037% Peak 237 (8.16, 7.73, 124.20 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 2.73, residual support = 10.2: * T HN SER 41 - HN ALA 42 25.000% * 99.6516% (1.00 10.00 2.74 10.23) = 99.652% kept HN SER 77 - HN ALA 42 25.000% * 0.2443% (0.65 1.00 0.08 0.02) = 0.244% HN GLN 16 - HN ALA 42 25.000% * 0.0866% (0.87 1.00 0.02 0.02) = 0.087% HN ALA 33 - HN ALA 42 25.000% * 0.0175% (0.17 1.00 0.02 0.02) = 0.017% Peak 238 (1.38, 7.73, 124.20 ppm): 12 chemical-shift based assignments, quality = 0.825, support = 1.66, residual support = 6.31: * QG2 THR 39 - HN ALA 42 8.333% * 70.7156% (0.94 2.21 8.92) = 70.716% kept HG2 LYS+ 78 - HN ALA 42 8.333% * 11.6531% (0.80 0.43 0.02) = 11.653% kept QB ALA 11 - HN ALA 42 8.333% * 5.8344% (0.49 0.35 0.02) = 5.834% kept HB3 LYS+ 20 - HN ALA 42 8.333% * 5.3590% (0.45 0.35 0.02) = 5.359% kept HB3 LEU 17 - HN ALA 42 8.333% * 3.1177% (0.28 0.33 0.02) = 3.118% kept QB ALA 37 - HN ALA 42 8.333% * 1.1786% (0.22 0.16 0.02) = 1.179% kept HG13 ILE 68 - HN ALA 42 8.333% * 0.6778% (1.00 0.02 0.02) = 0.678% HD3 LYS+ 20 - HN ALA 42 8.333% * 0.5180% (0.76 0.02 0.02) = 0.518% QB ALA 93 - HN ALA 42 8.333% * 0.2787% (0.41 0.02 0.02) = 0.279% HG13 ILE 100 - HN ALA 42 8.333% * 0.2787% (0.41 0.02 0.02) = 0.279% HG LEU 67 - HN ALA 42 8.333% * 0.2544% (0.37 0.02 0.02) = 0.254% HG3 LYS+ 81 - HN ALA 42 8.333% * 0.1341% (0.20 0.02 0.02) = 0.134% Peak 239 (7.97, 7.73, 124.20 ppm): 3 chemical-shift based assignments, quality = 0.793, support = 4.82, residual support = 21.4: * T HN LEU 43 - HN ALA 42 33.333% * 99.1652% (0.80 10.00 4.86 21.63) = 99.165% kept HN MET 126 - HN ALA 42 33.333% * 0.7793% (0.20 1.00 0.64 0.02) = 0.779% HN LYS+ 72 - HN ALA 42 33.333% * 0.0555% (0.45 1.00 0.02 0.02) = 0.056% Peak 240 (8.58, 7.73, 124.20 ppm): 4 chemical-shift based assignments, quality = 0.979, support = 2.15, residual support = 8.82: * T HN THR 39 - HN ALA 42 25.000% * 98.8877% (0.99 10.00 2.17 8.92) = 98.888% kept HN LYS+ 20 - HN ALA 42 25.000% * 0.9150% (0.49 1.00 0.38 0.02) = 0.915% HN VAL 80 - HN ALA 42 25.000% * 0.0995% (1.00 1.00 0.02 0.02) = 0.100% HN VAL 73 - HN ALA 42 25.000% * 0.0978% (0.98 1.00 0.02 0.02) = 0.098% Peak 241 (8.46, 8.46, 124.23 ppm): 2 diagonal assignments: * HN GLU- 107 - HN GLU- 107 (0.80) kept HN GLU- 18 - HN GLU- 18 (0.05) kept Peak 242 (4.29, 8.46, 124.23 ppm): 45 chemical-shift based assignments, quality = 0.909, support = 2.28, residual support = 6.64: * O HA THR 106 - HN GLU- 107 2.222% * 98.6908% (0.92 10.0 2.31 6.73) = 98.691% kept HA CYS 121 - HN GLU- 107 2.222% * 0.0980% (0.91 1.0 0.02 0.02) = 0.098% HB3 CYS 121 - HN GLU- 107 2.222% * 0.0980% (0.91 1.0 0.02 0.02) = 0.098% HA LEU 90 - HN GLU- 107 2.222% * 0.0887% (0.83 1.0 0.02 0.02) = 0.089% HA ASP- 36 - HN GLU- 107 2.222% * 0.0858% (0.80 1.0 0.02 0.02) = 0.086% HA VAL 122 - HN GLU- 107 2.222% * 0.0826% (0.77 1.0 0.02 0.02) = 0.083% HA VAL 94 - HN GLU- 107 2.222% * 0.0640% (0.60 1.0 0.02 0.02) = 0.064% HA ARG+ 84 - HN GLU- 107 2.222% * 0.0600% (0.56 1.0 0.02 0.02) = 0.060% HA PRO 52 - HN GLU- 107 2.222% * 0.0600% (0.56 1.0 0.02 0.02) = 0.060% HA SER 85 - HN GLU- 107 2.222% * 0.0600% (0.56 1.0 0.02 0.02) = 0.060% HA ILE 29 - HN GLU- 107 2.222% * 0.0371% (0.35 1.0 0.02 0.02) = 0.037% HA GLU- 56 - HN GLU- 107 2.222% * 0.0371% (0.35 1.0 0.02 0.02) = 0.037% HA THR 106 - HN GLU- 10 2.222% * 0.0256% (0.24 1.0 0.02 0.02) = 0.026% HA CYS 121 - HN GLU- 10 2.222% * 0.0254% (0.24 1.0 0.02 0.02) = 0.025% HB3 CYS 121 - HN GLU- 10 2.222% * 0.0254% (0.24 1.0 0.02 0.02) = 0.025% HA GLU- 64 - HN GLU- 107 2.222% * 0.0247% (0.23 1.0 0.02 0.02) = 0.025% HA THR 106 - HN GLU- 18 2.222% * 0.0237% (0.22 1.0 0.02 0.02) = 0.024% HA CYS 121 - HN GLU- 18 2.222% * 0.0235% (0.22 1.0 0.02 0.22) = 0.024% HB3 CYS 121 - HN GLU- 18 2.222% * 0.0235% (0.22 1.0 0.02 0.22) = 0.024% HA LEU 90 - HN GLU- 10 2.222% * 0.0230% (0.21 1.0 0.02 0.02) = 0.023% HA ASP- 36 - HN GLU- 10 2.222% * 0.0223% (0.21 1.0 0.02 0.02) = 0.022% HA ALA 93 - HN GLU- 107 2.222% * 0.0220% (0.21 1.0 0.02 0.02) = 0.022% HA GLU- 75 - HN GLU- 107 2.222% * 0.0220% (0.21 1.0 0.02 0.02) = 0.022% HA VAL 122 - HN GLU- 10 2.222% * 0.0214% (0.20 1.0 0.02 0.02) = 0.021% HA LEU 90 - HN GLU- 18 2.222% * 0.0213% (0.20 1.0 0.02 0.02) = 0.021% HA ASP- 36 - HN GLU- 18 2.222% * 0.0206% (0.19 1.0 0.02 0.02) = 0.021% HA VAL 122 - HN GLU- 18 2.222% * 0.0198% (0.19 1.0 0.02 0.02) = 0.020% HA VAL 94 - HN GLU- 10 2.222% * 0.0166% (0.15 1.0 0.02 0.02) = 0.017% HA ARG+ 84 - HN GLU- 10 2.222% * 0.0156% (0.15 1.0 0.02 0.02) = 0.016% HA SER 85 - HN GLU- 10 2.222% * 0.0156% (0.15 1.0 0.02 0.02) = 0.016% HA PRO 52 - HN GLU- 10 2.222% * 0.0156% (0.15 1.0 0.02 0.02) = 0.016% HA VAL 94 - HN GLU- 18 2.222% * 0.0154% (0.14 1.0 0.02 3.64) = 0.015% HA ARG+ 84 - HN GLU- 18 2.222% * 0.0144% (0.13 1.0 0.02 3.02) = 0.014% HA PRO 52 - HN GLU- 18 2.222% * 0.0144% (0.13 1.0 0.02 0.02) = 0.014% HA SER 85 - HN GLU- 18 2.222% * 0.0144% (0.13 1.0 0.02 2.22) = 0.014% HA GLU- 56 - HN GLU- 10 2.222% * 0.0096% (0.09 1.0 0.02 0.02) = 0.010% HA ILE 29 - HN GLU- 10 2.222% * 0.0096% (0.09 1.0 0.02 0.02) = 0.010% HA GLU- 56 - HN GLU- 18 2.222% * 0.0089% (0.08 1.0 0.02 0.02) = 0.009% HA ILE 29 - HN GLU- 18 2.222% * 0.0089% (0.08 1.0 0.02 0.02) = 0.009% HA GLU- 64 - HN GLU- 10 2.222% * 0.0064% (0.06 1.0 0.02 0.02) = 0.006% HA GLU- 64 - HN GLU- 18 2.222% * 0.0059% (0.06 1.0 0.02 0.02) = 0.006% HA ALA 93 - HN GLU- 10 2.222% * 0.0057% (0.05 1.0 0.02 0.02) = 0.006% HA GLU- 75 - HN GLU- 10 2.222% * 0.0057% (0.05 1.0 0.02 0.02) = 0.006% HA ALA 93 - HN GLU- 18 2.222% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% HA GLU- 75 - HN GLU- 18 2.222% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% Peak 243 (1.89, 8.46, 124.23 ppm): 36 chemical-shift based assignments, quality = 0.364, support = 3.3, residual support = 25.8: HG2 GLU- 18 - HN GLU- 18 2.778% * 47.1808% (0.22 5.60 53.83) = 47.181% kept HB3 GLN 16 - HN GLU- 107 2.778% * 23.9698% (0.90 0.68 0.30) = 23.970% kept HB3 GLN 16 - HN GLU- 18 2.778% * 20.1989% (0.22 2.40 1.50) = 20.199% kept HG2 PRO 112 - HN GLU- 18 2.778% * 1.4501% (0.05 0.68 0.12) = 1.450% kept HG2 GLU- 18 - HN GLU- 107 2.778% * 0.7013% (0.90 0.02 0.02) = 0.701% HB3 CYS 123 - HN GLU- 107 2.778% * 0.5976% (0.77 0.02 0.02) = 0.598% HG3 LYS+ 120 - HN GLU- 107 2.778% * 0.5976% (0.77 0.02 0.02) = 0.598% HD2 PRO 59 - HN GLU- 107 2.778% * 0.5496% (0.14 0.10 0.02) = 0.550% HB3 ARG+ 53 - HN GLU- 107 2.778% * 0.4915% (0.63 0.02 0.02) = 0.491% HB2 PRO 112 - HN GLU- 107 2.778% * 0.4568% (0.59 0.02 0.02) = 0.457% HD3 PRO 52 - HN GLU- 107 2.778% * 0.4340% (0.56 0.02 0.02) = 0.434% HB3 ARG+ 84 - HN GLU- 107 2.778% * 0.4051% (0.52 0.02 0.02) = 0.405% HB3 GLN 102 - HN GLU- 107 2.778% * 0.2941% (0.38 0.02 0.02) = 0.294% HG2 GLU- 18 - HN GLU- 10 2.778% * 0.1820% (0.23 0.02 0.02) = 0.182% HB3 GLN 16 - HN GLU- 10 2.778% * 0.1820% (0.23 0.02 0.02) = 0.182% HD3 LYS+ 63 - HN GLU- 107 2.778% * 0.1784% (0.23 0.02 0.02) = 0.178% HG2 PRO 112 - HN GLU- 107 2.778% * 0.1764% (0.23 0.02 0.02) = 0.176% HG2 PRO 112 - HN GLU- 10 2.778% * 0.1723% (0.06 0.08 0.02) = 0.172% HB3 CYS 123 - HN GLU- 10 2.778% * 0.1551% (0.20 0.02 0.02) = 0.155% HG3 LYS+ 120 - HN GLU- 10 2.778% * 0.1551% (0.20 0.02 0.02) = 0.155% HB3 CYS 123 - HN GLU- 18 2.778% * 0.1436% (0.19 0.02 0.02) = 0.144% HG3 LYS+ 120 - HN GLU- 18 2.778% * 0.1436% (0.19 0.02 0.02) = 0.144% HB3 ARG+ 53 - HN GLU- 10 2.778% * 0.1275% (0.16 0.02 0.02) = 0.128% HB2 PRO 112 - HN GLU- 10 2.778% * 0.1185% (0.15 0.02 0.02) = 0.119% HB3 ARG+ 53 - HN GLU- 18 2.778% * 0.1181% (0.15 0.02 0.02) = 0.118% HD3 PRO 52 - HN GLU- 10 2.778% * 0.1126% (0.15 0.02 0.02) = 0.113% HB2 PRO 112 - HN GLU- 18 2.778% * 0.1097% (0.14 0.02 0.12) = 0.110% HB3 ARG+ 84 - HN GLU- 10 2.778% * 0.1051% (0.14 0.02 0.02) = 0.105% HD3 PRO 52 - HN GLU- 18 2.778% * 0.1042% (0.13 0.02 0.02) = 0.104% HB3 ARG+ 84 - HN GLU- 18 2.778% * 0.0973% (0.13 0.02 3.02) = 0.097% HB3 GLN 102 - HN GLU- 10 2.778% * 0.0763% (0.10 0.02 0.02) = 0.076% HB3 GLN 102 - HN GLU- 18 2.778% * 0.0707% (0.09 0.02 0.77) = 0.071% HD3 LYS+ 63 - HN GLU- 10 2.778% * 0.0463% (0.06 0.02 0.02) = 0.046% HD3 LYS+ 63 - HN GLU- 18 2.778% * 0.0429% (0.06 0.02 0.02) = 0.043% HD2 PRO 59 - HN GLU- 10 2.778% * 0.0286% (0.04 0.02 0.02) = 0.029% HD2 PRO 59 - HN GLU- 18 2.778% * 0.0265% (0.03 0.02 0.02) = 0.027% Peak 244 (4.81, 8.47, 124.23 ppm): 9 chemical-shift based assignments, quality = 0.365, support = 5.68, residual support = 51.2: O HA GLU- 18 - HN GLU- 18 11.111% * 95.1064% (0.37 10.0 5.95 53.83) = 95.106% kept HA LEU 23 - HN GLU- 10 11.111% * 2.9292% (0.38 1.0 0.60 0.02) = 2.929% kept HA LEU 23 - HN GLU- 18 11.111% * 0.9239% (0.31 1.0 0.23 0.02) = 0.924% HA GLU- 18 - HN GLU- 107 11.111% * 0.2525% (0.99 1.0 0.02 0.02) = 0.252% HB THR 39 - HN GLU- 107 11.111% * 0.2497% (0.98 1.0 0.02 0.02) = 0.250% HA LEU 23 - HN GLU- 107 11.111% * 0.2128% (0.83 1.0 0.02 0.02) = 0.213% HA GLU- 18 - HN GLU- 10 11.111% * 0.1164% (0.45 1.0 0.02 0.02) = 0.116% HB THR 39 - HN GLU- 10 11.111% * 0.1151% (0.45 1.0 0.02 0.02) = 0.115% HB THR 39 - HN GLU- 18 11.111% * 0.0941% (0.37 1.0 0.02 0.02) = 0.094% Peak 245 (2.26, 8.46, 124.23 ppm): 36 chemical-shift based assignments, quality = 0.642, support = 2.13, residual support = 4.51: * HG3 GLU- 107 - HN GLU- 107 2.778% * 61.7364% (0.85 2.80 6.21) = 61.736% kept HG3 GLU- 75 - HN GLU- 107 2.778% * 7.7192% (0.83 0.36 0.02) = 7.719% kept HG3 GLU- 10 - HN GLU- 10 2.778% * 5.9280% (0.08 2.81 9.88) = 5.928% kept HG3 GLN 16 - HN GLU- 107 2.778% * 5.9173% (0.28 0.80 0.30) = 5.917% kept HG3 GLN 16 - HN GLU- 18 2.778% * 4.4996% (0.07 2.55 1.50) = 4.500% kept HG2 PRO 112 - HN GLU- 18 2.778% * 3.8331% (0.22 0.68 0.12) = 3.833% kept HB3 ASN 15 - HN GLU- 107 2.778% * 2.9510% (0.45 0.25 0.02) = 2.951% kept HB VAL 80 - HN GLU- 18 2.778% * 1.6826% (0.21 0.31 0.02) = 1.683% kept HB3 LYS+ 117 - HN GLU- 18 2.778% * 1.2464% (0.20 0.24 0.02) = 1.246% kept HG2 PRO 112 - HN GLU- 107 2.778% * 0.4663% (0.90 0.02 0.02) = 0.466% HG3 GLU- 54 - HN GLU- 107 2.778% * 0.4602% (0.89 0.02 0.02) = 0.460% HG2 PRO 112 - HN GLU- 10 2.778% * 0.4553% (0.23 0.08 0.02) = 0.455% HB VAL 80 - HN GLU- 107 2.778% * 0.4511% (0.87 0.02 0.02) = 0.451% HB3 LYS+ 117 - HN GLU- 107 2.778% * 0.4277% (0.83 0.02 0.02) = 0.428% HB3 PRO 112 - HN GLU- 107 2.778% * 0.3707% (0.72 0.02 0.02) = 0.371% HB2 LYS+ 44 - HN GLU- 107 2.778% * 0.1627% (0.31 0.02 0.02) = 0.163% HG3 GLU- 10 - HN GLU- 107 2.778% * 0.1627% (0.31 0.02 0.02) = 0.163% HG3 GLU- 54 - HN GLU- 10 2.778% * 0.1194% (0.23 0.02 0.02) = 0.119% HB3 GLU- 45 - HN GLU- 107 2.778% * 0.1189% (0.23 0.02 0.02) = 0.119% HB VAL 80 - HN GLU- 10 2.778% * 0.1170% (0.23 0.02 0.02) = 0.117% HG3 GLU- 107 - HN GLU- 10 2.778% * 0.1142% (0.22 0.02 0.02) = 0.114% HG3 GLU- 75 - HN GLU- 10 2.778% * 0.1110% (0.21 0.02 0.02) = 0.111% HB3 LYS+ 117 - HN GLU- 10 2.778% * 0.1110% (0.21 0.02 0.02) = 0.111% HG3 GLU- 54 - HN GLU- 18 2.778% * 0.1105% (0.21 0.02 0.02) = 0.111% HG3 GLU- 107 - HN GLU- 18 2.778% * 0.1057% (0.20 0.02 0.02) = 0.106% HG3 GLU- 75 - HN GLU- 18 2.778% * 0.1027% (0.20 0.02 0.02) = 0.103% HB3 PRO 112 - HN GLU- 10 2.778% * 0.0962% (0.19 0.02 0.02) = 0.096% HB3 PRO 112 - HN GLU- 18 2.778% * 0.0890% (0.17 0.02 0.12) = 0.089% HB3 ASN 15 - HN GLU- 10 2.778% * 0.0602% (0.12 0.02 0.02) = 0.060% HB3 ASN 15 - HN GLU- 18 2.778% * 0.0558% (0.11 0.02 0.02) = 0.056% HB2 LYS+ 44 - HN GLU- 10 2.778% * 0.0422% (0.08 0.02 0.02) = 0.042% HG3 GLU- 10 - HN GLU- 18 2.778% * 0.0391% (0.08 0.02 0.02) = 0.039% HB2 LYS+ 44 - HN GLU- 18 2.778% * 0.0391% (0.08 0.02 0.02) = 0.039% HG3 GLN 16 - HN GLU- 10 2.778% * 0.0382% (0.07 0.02 0.02) = 0.038% HB3 GLU- 45 - HN GLU- 10 2.778% * 0.0309% (0.06 0.02 0.85) = 0.031% HB3 GLU- 45 - HN GLU- 18 2.778% * 0.0286% (0.06 0.02 0.02) = 0.029% Peak 246 (4.68, 8.47, 124.23 ppm): 21 chemical-shift based assignments, quality = 0.291, support = 1.16, residual support = 0.882: HA GLN 16 - HN GLU- 18 4.762% * 52.9784% (0.17 1.99 1.50) = 52.978% kept HA GLN 16 - HN GLU- 107 4.762% * 27.6074% (0.45 0.39 0.30) = 27.607% kept HA ASN 89 - HN GLU- 107 4.762% * 3.0911% (0.98 0.02 0.02) = 3.091% kept HA TYR 83 - HN GLU- 107 4.762% * 2.6341% (0.83 0.02 0.02) = 2.634% kept HA PRO 35 - HN GLU- 107 4.762% * 1.9127% (0.60 0.02 0.02) = 1.913% kept HA ASN 89 - HN GLU- 10 4.762% * 1.4254% (0.45 0.02 0.02) = 1.425% kept HA TYR 83 - HN GLU- 10 4.762% * 1.2147% (0.38 0.02 0.02) = 1.215% kept HA ASN 89 - HN GLU- 18 4.762% * 1.1645% (0.37 0.02 0.02) = 1.164% kept HA TYR 83 - HN GLU- 18 4.762% * 0.9923% (0.31 0.02 0.02) = 0.992% HA VAL 99 - HN GLU- 107 4.762% * 0.9733% (0.31 0.02 0.02) = 0.973% HA LYS+ 120 - HN GLU- 107 4.762% * 0.9733% (0.31 0.02 0.02) = 0.973% HA PRO 35 - HN GLU- 10 4.762% * 0.8820% (0.28 0.02 0.02) = 0.882% HA PRO 35 - HN GLU- 18 4.762% * 0.7206% (0.23 0.02 0.02) = 0.721% HA GLN 16 - HN GLU- 10 4.762% * 0.6520% (0.21 0.02 0.02) = 0.652% HA THR 61 - HN GLU- 107 4.762% * 0.6241% (0.20 0.02 0.02) = 0.624% HA LYS+ 120 - HN GLU- 10 4.762% * 0.4488% (0.14 0.02 0.02) = 0.449% HA VAL 99 - HN GLU- 10 4.762% * 0.4488% (0.14 0.02 0.02) = 0.449% HA LYS+ 120 - HN GLU- 18 4.762% * 0.3667% (0.12 0.02 0.02) = 0.367% HA VAL 99 - HN GLU- 18 4.762% * 0.3667% (0.12 0.02 0.02) = 0.367% HA THR 61 - HN GLU- 10 4.762% * 0.2878% (0.09 0.02 0.02) = 0.288% HA THR 61 - HN GLU- 18 4.762% * 0.2351% (0.07 0.02 0.02) = 0.235% Peak 247 (2.03, 8.46, 124.23 ppm): 48 chemical-shift based assignments, quality = 0.418, support = 2.56, residual support = 10.9: * O HB3 GLU- 107 - HN GLU- 107 2.083% * 70.7547% (0.52 10.0 2.64 6.21) = 70.755% kept O HB3 GLU- 10 - HN GLU- 10 2.083% * 15.0962% (0.20 10.0 1.11 9.88) = 15.096% kept O HB2 GLU- 18 - HN GLU- 18 2.083% * 9.2655% (0.07 10.0 5.45 53.83) = 9.266% kept HB3 GLU- 75 - HN GLU- 107 2.083% * 2.2319% (0.52 1.0 0.64 0.02) = 2.232% kept HG2 PRO 112 - HN GLU- 18 2.083% * 0.6574% (0.14 1.0 0.68 0.12) = 0.657% HB3 GLU- 75 - HN GLU- 18 2.083% * 0.3017% (0.12 1.0 0.36 0.02) = 0.302% HB3 LYS+ 110 - HN GLU- 107 2.083% * 0.1225% (0.90 1.0 0.02 0.02) = 0.122% HG3 GLU- 64 - HN GLU- 107 2.083% * 0.1182% (0.87 1.0 0.02 0.02) = 0.118% HB3 GLU- 54 - HN GLU- 107 2.083% * 0.1154% (0.85 1.0 0.02 0.02) = 0.115% HB3 GLU- 64 - HN GLU- 107 2.083% * 0.1044% (0.77 1.0 0.02 0.02) = 0.104% HB3 GLU- 10 - HN GLU- 107 2.083% * 0.1044% (0.77 1.0 0.02 0.02) = 0.104% HB3 PRO 31 - HN GLU- 107 2.083% * 0.0955% (0.71 1.0 0.02 0.02) = 0.096% HG3 PRO 86 - HN GLU- 107 2.083% * 0.0858% (0.63 1.0 0.02 0.02) = 0.086% HG2 PRO 112 - HN GLU- 107 2.083% * 0.0800% (0.59 1.0 0.02 0.02) = 0.080% HG2 PRO 112 - HN GLU- 10 2.083% * 0.0781% (0.15 1.0 0.08 0.02) = 0.078% HB2 GLU- 45 - HN GLU- 107 2.083% * 0.0708% (0.52 1.0 0.02 0.02) = 0.071% HG2 PRO 116 - HN GLU- 107 2.083% * 0.0658% (0.49 1.0 0.02 0.02) = 0.066% HB2 GLU- 18 - HN GLU- 107 2.083% * 0.0386% (0.28 1.0 0.02 0.02) = 0.039% HG3 PRO 112 - HN GLU- 107 2.083% * 0.0347% (0.26 1.0 0.02 0.02) = 0.035% HB3 LYS+ 110 - HN GLU- 10 2.083% * 0.0318% (0.23 1.0 0.02 0.02) = 0.032% HG3 GLU- 64 - HN GLU- 10 2.083% * 0.0307% (0.23 1.0 0.02 0.02) = 0.031% HB3 GLU- 54 - HN GLU- 10 2.083% * 0.0299% (0.22 1.0 0.02 0.02) = 0.030% HB3 LYS+ 110 - HN GLU- 18 2.083% * 0.0294% (0.22 1.0 0.02 0.02) = 0.029% HG3 GLU- 64 - HN GLU- 18 2.083% * 0.0284% (0.21 1.0 0.02 0.02) = 0.028% HB2 HIS+ 14 - HN GLU- 107 2.083% * 0.0278% (0.21 1.0 0.02 0.02) = 0.028% HB3 MET 118 - HN GLU- 107 2.083% * 0.0278% (0.21 1.0 0.02 0.02) = 0.028% HB3 GLU- 54 - HN GLU- 18 2.083% * 0.0277% (0.20 1.0 0.02 0.02) = 0.028% HB3 GLU- 64 - HN GLU- 10 2.083% * 0.0271% (0.20 1.0 0.02 0.02) = 0.027% HB3 GLU- 64 - HN GLU- 18 2.083% * 0.0251% (0.19 1.0 0.02 0.02) = 0.025% HB3 GLU- 10 - HN GLU- 18 2.083% * 0.0251% (0.19 1.0 0.02 0.02) = 0.025% HB3 PRO 31 - HN GLU- 10 2.083% * 0.0248% (0.18 1.0 0.02 0.02) = 0.025% HB3 PRO 31 - HN GLU- 18 2.083% * 0.0229% (0.17 1.0 0.02 0.02) = 0.023% HG3 PRO 86 - HN GLU- 10 2.083% * 0.0223% (0.16 1.0 0.02 0.02) = 0.022% HG3 PRO 86 - HN GLU- 18 2.083% * 0.0206% (0.15 1.0 0.02 0.02) = 0.021% HB2 GLU- 45 - HN GLU- 10 2.083% * 0.0184% (0.14 1.0 0.02 0.85) = 0.018% HB3 GLU- 107 - HN GLU- 10 2.083% * 0.0184% (0.14 1.0 0.02 0.02) = 0.018% HB3 GLU- 75 - HN GLU- 10 2.083% * 0.0181% (0.13 1.0 0.02 0.02) = 0.018% HG2 PRO 116 - HN GLU- 10 2.083% * 0.0171% (0.13 1.0 0.02 0.02) = 0.017% HB3 GLU- 107 - HN GLU- 18 2.083% * 0.0170% (0.13 1.0 0.02 0.02) = 0.017% HB2 GLU- 45 - HN GLU- 18 2.083% * 0.0170% (0.13 1.0 0.02 0.02) = 0.017% HG2 PRO 116 - HN GLU- 18 2.083% * 0.0158% (0.12 1.0 0.02 0.02) = 0.016% HB2 GLU- 18 - HN GLU- 10 2.083% * 0.0100% (0.07 1.0 0.02 0.02) = 0.010% HG3 PRO 112 - HN GLU- 10 2.083% * 0.0090% (0.07 1.0 0.02 0.02) = 0.009% HG3 PRO 112 - HN GLU- 18 2.083% * 0.0083% (0.06 1.0 0.02 0.12) = 0.008% HB3 MET 118 - HN GLU- 10 2.083% * 0.0072% (0.05 1.0 0.02 0.02) = 0.007% HB2 HIS+ 14 - HN GLU- 10 2.083% * 0.0072% (0.05 1.0 0.02 0.02) = 0.007% HB3 MET 118 - HN GLU- 18 2.083% * 0.0067% (0.05 1.0 0.02 0.02) = 0.007% HB2 HIS+ 14 - HN GLU- 18 2.083% * 0.0067% (0.05 1.0 0.02 0.02) = 0.007% Peak 248 (8.16, 8.47, 124.23 ppm): 9 chemical-shift based assignments, quality = 0.506, support = 1.36, residual support = 0.777: HN GLN 16 - HN GLU- 107 11.111% * 47.4697% (0.72 0.92 0.30) = 47.470% kept HN GLN 16 - HN GLU- 18 11.111% * 41.9929% (0.27 2.16 1.50) = 41.993% kept HN SER 41 - HN GLU- 18 11.111% * 4.0077% (0.37 0.15 0.02) = 4.008% kept HN SER 41 - HN GLU- 10 11.111% * 2.5772% (0.45 0.08 0.02) = 2.577% kept HN SER 41 - HN GLU- 107 11.111% * 1.3903% (0.98 0.02 0.02) = 1.390% kept HN SER 77 - HN GLU- 107 11.111% * 1.1357% (0.80 0.02 0.02) = 1.136% kept HN SER 77 - HN GLU- 10 11.111% * 0.5237% (0.37 0.02 0.02) = 0.524% HN GLN 16 - HN GLU- 10 11.111% * 0.4749% (0.33 0.02 0.02) = 0.475% HN SER 77 - HN GLU- 18 11.111% * 0.4279% (0.30 0.02 0.02) = 0.428% Peak 249 (8.21, 8.22, 124.30 ppm): 1 diagonal assignment: * HN ALA 11 - HN ALA 11 (0.64) kept Peak 250 (2.05, 8.22, 124.30 ppm): 14 chemical-shift based assignments, quality = 0.45, support = 0.951, residual support = 1.08: * HB3 GLU- 10 - HN ALA 11 7.143% * 27.5164% (0.20 2.07 2.95) = 27.516% kept HB2 GLU- 45 - HN ALA 11 7.143% * 27.2751% (0.63 0.64 0.88) = 27.275% kept HG3 PRO 86 - HN ALA 11 7.143% * 18.8494% (0.64 0.44 0.11) = 18.849% kept HG2 PRO 112 - HN ALA 11 7.143% * 18.4174% (0.44 0.63 0.02) = 18.417% kept HB3 GLU- 75 - HN ALA 11 7.143% * 5.2511% (0.45 0.17 0.02) = 5.251% kept HB3 LYS+ 110 - HN ALA 11 7.143% * 0.6581% (0.49 0.02 0.02) = 0.658% HG3 GLU- 64 - HN ALA 11 7.143% * 0.3861% (0.29 0.02 0.02) = 0.386% HB3 GLU- 54 - HN ALA 11 7.143% * 0.3540% (0.26 0.02 0.02) = 0.354% HB VAL 62 - HN ALA 11 7.143% * 0.3232% (0.24 0.02 0.02) = 0.323% HB3 GLU- 64 - HN ALA 11 7.143% * 0.2658% (0.20 0.02 0.02) = 0.266% HB ILE 101 - HN ALA 11 7.143% * 0.2394% (0.18 0.02 0.02) = 0.239% HB3 PRO 31 - HN ALA 11 7.143% * 0.2147% (0.16 0.02 0.02) = 0.215% HB3 LYS+ 120 - HN ALA 11 7.143% * 0.1329% (0.10 0.02 0.02) = 0.133% HB3 GLU- 107 - HN ALA 11 7.143% * 0.1165% (0.09 0.02 0.02) = 0.117% Peak 251 (4.21, 8.22, 124.30 ppm): 11 chemical-shift based assignments, quality = 0.207, support = 1.32, residual support = 2.53: * O HA GLU- 10 - HN ALA 11 9.091% * 70.7406% (0.10 10.0 1.61 2.95) = 70.741% kept HA GLU- 12 - HN ALA 11 9.091% * 17.9640% (0.53 1.0 0.75 2.35) = 17.964% kept HB3 SER 49 - HN ALA 11 9.091% * 9.7299% (0.42 1.0 0.51 0.24) = 9.730% kept HA ASP- 82 - HN ALA 11 9.091% * 0.5591% (0.63 1.0 0.02 0.02) = 0.559% HA GLU- 109 - HN ALA 11 9.091% * 0.3001% (0.34 1.0 0.02 0.02) = 0.300% HA SER 49 - HN ALA 11 9.091% * 0.1946% (0.22 1.0 0.02 0.24) = 0.195% HA ALA 42 - HN ALA 11 9.091% * 0.1586% (0.18 1.0 0.02 0.02) = 0.159% HA VAL 65 - HN ALA 11 9.091% * 0.0999% (0.11 1.0 0.02 0.02) = 0.100% HA LYS+ 108 - HN ALA 11 9.091% * 0.0880% (0.10 1.0 0.02 0.02) = 0.088% HA GLU- 54 - HN ALA 11 9.091% * 0.0880% (0.10 1.0 0.02 0.02) = 0.088% HA VAL 73 - HN ALA 11 9.091% * 0.0772% (0.09 1.0 0.02 0.02) = 0.077% Peak 252 (1.35, 8.22, 124.30 ppm): 7 chemical-shift based assignments, quality = 0.385, support = 1.57, residual support = 5.47: * O QB ALA 11 - HN ALA 11 14.286% * 97.4976% (0.39 10.0 1.61 5.61) = 97.498% kept HB2 ARG+ 22 - HN ALA 11 14.286% * 1.0670% (0.14 1.0 0.48 0.28) = 1.067% kept HG3 LYS+ 81 - HN ALA 11 14.286% * 1.0420% (0.59 1.0 0.11 0.02) = 1.042% kept HB3 LEU 17 - HN ALA 11 14.286% * 0.1671% (0.53 1.0 0.02 0.02) = 0.167% HB3 LYS+ 20 - HN ALA 11 14.286% * 0.1294% (0.41 1.0 0.02 0.02) = 0.129% HG2 LYS+ 78 - HN ALA 11 14.286% * 0.0618% (0.20 1.0 0.02 0.02) = 0.062% QG2 THR 39 - HN ALA 11 14.286% * 0.0350% (0.11 1.0 0.02 0.02) = 0.035% Peak 253 (1.52, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 254 (4.73, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 255 (1.66, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 256 (4.24, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 257 (1.76, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 258 (3.05, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 259 (0.84, 8.30, 124.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 260 (1.53, 8.29, 124.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 261 (8.29, 8.29, 124.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 262 (4.58, 8.29, 124.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 263 (4.74, 8.29, 124.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 264 (1.79, 8.29, 124.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 265 (4.23, 8.29, 124.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 266 (8.03, 8.03, 123.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HN SER 124 - HN SER 124 Peak unassigned. Peak 267 (1.36, 8.03, 123.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 268 (9.07, 8.43, 123.73 ppm): 4 chemical-shift based assignments, quality = 0.953, support = 4.4, residual support = 21.8: * T HN GLU- 54 - HN ARG+ 53 25.000% * 68.0805% (0.96 10.00 6.06 31.86) = 68.081% kept T HN GLU- 54 - HN CYS 123 25.000% * 28.6152% (0.95 10.00 0.85 0.30) = 28.615% kept HN LYS+ 66 - HN ARG+ 53 25.000% * 3.2416% (0.89 1.00 1.02 0.02) = 3.242% kept HN LYS+ 66 - HN CYS 123 25.000% * 0.0627% (0.88 1.00 0.02 0.02) = 0.063% Peak 269 (8.43, 8.43, 123.73 ppm): 2 diagonal assignments: * HN CYS 123 - HN CYS 123 (0.97) kept HN ARG+ 53 - HN ARG+ 53 (0.96) kept Peak 270 (1.77, 8.43, 123.73 ppm): 24 chemical-shift based assignments, quality = 0.83, support = 3.38, residual support = 23.7: * HG3 ARG+ 53 - HN ARG+ 53 4.167% * 61.1374% (0.83 4.90 38.76) = 61.137% kept HG3 ARG+ 53 - HN CYS 123 4.167% * 17.7662% (0.82 1.44 0.11) = 17.766% kept HG2 ARG+ 84 - HN ARG+ 53 4.167% * 13.1173% (0.97 0.90 0.02) = 13.117% kept HB2 ARG+ 84 - HN ARG+ 53 4.167% * 3.4445% (0.96 0.24 0.02) = 3.445% kept HB3 GLU- 18 - HN ARG+ 53 4.167% * 1.6626% (0.98 0.11 0.02) = 1.663% kept HB3 GLU- 18 - HN CYS 123 4.167% * 0.2936% (0.98 0.02 0.02) = 0.294% HG2 ARG+ 84 - HN CYS 123 4.167% * 0.2903% (0.97 0.02 0.02) = 0.290% HB2 ARG+ 84 - HN CYS 123 4.167% * 0.2859% (0.95 0.02 0.02) = 0.286% HG3 LYS+ 63 - HN ARG+ 53 4.167% * 0.2052% (0.68 0.02 0.02) = 0.205% HG3 LYS+ 63 - HN CYS 123 4.167% * 0.2035% (0.68 0.02 0.02) = 0.203% HG2 PRO 31 - HN ARG+ 53 4.167% * 0.1933% (0.64 0.02 0.02) = 0.193% HG2 PRO 31 - HN CYS 123 4.167% * 0.1916% (0.64 0.02 0.02) = 0.192% HD3 PRO 59 - HN ARG+ 53 4.167% * 0.1812% (0.60 0.02 0.02) = 0.181% HD3 PRO 59 - HN CYS 123 4.167% * 0.1797% (0.60 0.02 0.02) = 0.180% HB2 LEU 17 - HN ARG+ 53 4.167% * 0.1339% (0.45 0.02 0.02) = 0.134% HB2 LEU 17 - HN CYS 123 4.167% * 0.1328% (0.44 0.02 0.02) = 0.133% HB3 LYS+ 63 - HN ARG+ 53 4.167% * 0.0831% (0.28 0.02 0.02) = 0.083% HB3 LYS+ 108 - HN ARG+ 53 4.167% * 0.0831% (0.28 0.02 0.02) = 0.083% HB3 LYS+ 108 - HN CYS 123 4.167% * 0.0824% (0.27 0.02 0.02) = 0.082% HB3 LYS+ 63 - HN CYS 123 4.167% * 0.0824% (0.27 0.02 0.02) = 0.082% HB2 LYS+ 117 - HN ARG+ 53 4.167% * 0.0665% (0.22 0.02 0.02) = 0.067% HB2 LYS+ 117 - HN CYS 123 4.167% * 0.0659% (0.22 0.02 0.02) = 0.066% HB3 LEU 23 - HN ARG+ 53 4.167% * 0.0591% (0.20 0.02 0.20) = 0.059% HB3 LEU 23 - HN CYS 123 4.167% * 0.0586% (0.19 0.02 0.02) = 0.059% Peak 271 (2.23, 8.43, 123.73 ppm): 28 chemical-shift based assignments, quality = 0.966, support = 5.4, residual support = 22.2: * O HB2 PRO 52 - HN ARG+ 53 3.571% * 95.4006% (0.99 10.0 5.65 23.29) = 95.401% kept HG2 PRO 112 - HN ARG+ 53 3.571% * 2.0386% (0.99 1.0 0.43 0.02) = 2.039% kept HB2 PRO 52 - HN CYS 123 3.571% * 0.8194% (0.98 1.0 0.17 0.02) = 0.819% HG3 GLU- 109 - HN ARG+ 53 3.571% * 0.0954% (0.99 1.0 0.02 0.02) = 0.095% HG2 PRO 112 - HN CYS 123 3.571% * 0.0947% (0.98 1.0 0.02 0.02) = 0.095% HG3 GLU- 109 - HN CYS 123 3.571% * 0.0946% (0.98 1.0 0.02 0.02) = 0.095% HG3 GLN 102 - HN ARG+ 53 3.571% * 0.0923% (0.96 1.0 0.02 0.02) = 0.092% HG3 GLN 102 - HN CYS 123 3.571% * 0.0915% (0.95 1.0 0.02 0.02) = 0.091% HG3 GLU- 18 - HN ARG+ 53 3.571% * 0.0857% (0.89 1.0 0.02 0.02) = 0.086% HG3 GLU- 18 - HN CYS 123 3.571% * 0.0850% (0.88 1.0 0.02 0.02) = 0.085% HB2 GLU- 50 - HN ARG+ 53 3.571% * 0.0799% (0.83 1.0 0.02 0.02) = 0.080% HB2 GLU- 50 - HN CYS 123 3.571% * 0.0792% (0.82 1.0 0.02 0.02) = 0.079% HB3 GLU- 45 - HN ARG+ 53 3.571% * 0.0766% (0.80 1.0 0.02 0.02) = 0.077% HB3 GLU- 45 - HN CYS 123 3.571% * 0.0759% (0.79 1.0 0.02 0.02) = 0.076% HG3 MET 97 - HN ARG+ 53 3.571% * 0.0694% (0.72 1.0 0.02 0.02) = 0.069% HG3 GLN 16 - HN ARG+ 53 3.571% * 0.0694% (0.72 1.0 0.02 0.02) = 0.069% HA1 GLY 58 - HN ARG+ 53 3.571% * 0.0694% (0.72 1.0 0.02 0.02) = 0.069% HG3 MET 97 - HN CYS 123 3.571% * 0.0688% (0.72 1.0 0.02 0.02) = 0.069% HG3 GLN 16 - HN CYS 123 3.571% * 0.0688% (0.72 1.0 0.02 0.02) = 0.069% HA1 GLY 58 - HN CYS 123 3.571% * 0.0688% (0.72 1.0 0.02 0.02) = 0.069% HG3 GLU- 10 - HN ARG+ 53 3.571% * 0.0657% (0.68 1.0 0.02 0.02) = 0.066% HG3 GLU- 10 - HN CYS 123 3.571% * 0.0651% (0.68 1.0 0.02 0.02) = 0.065% HG3 MET 126 - HN ARG+ 53 3.571% * 0.0580% (0.60 1.0 0.02 0.02) = 0.058% HG3 MET 126 - HN CYS 123 3.571% * 0.0575% (0.60 1.0 0.02 0.02) = 0.057% HB3 ASN 15 - HN ARG+ 53 3.571% * 0.0503% (0.52 1.0 0.02 0.02) = 0.050% HB3 ASN 15 - HN CYS 123 3.571% * 0.0499% (0.52 1.0 0.02 0.02) = 0.050% HG3 GLU- 107 - HN ARG+ 53 3.571% * 0.0148% (0.15 1.0 0.02 0.02) = 0.015% HG3 GLU- 107 - HN CYS 123 3.571% * 0.0146% (0.15 1.0 0.02 0.02) = 0.015% Peak 272 (1.70, 8.34, 123.66 ppm): 4 chemical-shift based assignments, quality = 0.253, support = 0.02, residual support = 0.02: HG2 PRO 52 - HN ASN 76 25.000% * 30.2463% (0.30 0.02 0.02) = 30.246% kept HB2 GLN 16 - HN ASN 76 25.000% * 28.4849% (0.28 0.02 0.02) = 28.485% kept HG13 ILE 19 - HN ASN 76 25.000% * 23.1665% (0.23 0.02 0.02) = 23.166% kept HD3 LYS+ 55 - HN ASN 76 25.000% * 18.1023% (0.18 0.02 0.02) = 18.102% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 273 (8.29, 8.34, 123.66 ppm): 1 diagonal assignment: HN ASN 76 - HN ASN 76 (0.07) kept Peak 274 (4.42, 8.24, 123.72 ppm): 11 chemical-shift based assignments, quality = 0.951, support = 2.95, residual support = 8.84: * O HA LYS+ 66 - HN LEU 67 9.091% * 97.5678% (0.97 10.0 3.01 9.06) = 97.568% kept HA THR 95 - HN LEU 67 9.091% * 1.8454% (0.49 1.0 0.75 0.28) = 1.845% kept HA HIS+ 14 - HN LEU 67 9.091% * 0.1002% (0.99 1.0 0.02 0.02) = 0.100% HA PRO 86 - HN LEU 67 9.091% * 0.0933% (0.92 1.0 0.02 0.02) = 0.093% HA PRO 116 - HN LEU 67 9.091% * 0.0877% (0.87 1.0 0.02 0.02) = 0.088% HA PRO 112 - HN LEU 67 9.091% * 0.0810% (0.80 1.0 0.02 0.02) = 0.081% HA PRO 104 - HN LEU 67 9.091% * 0.0613% (0.61 1.0 0.02 0.02) = 0.061% HA LYS+ 111 - HN LEU 67 9.091% * 0.0532% (0.53 1.0 0.02 0.02) = 0.053% HB THR 24 - HN LEU 67 9.091% * 0.0492% (0.49 1.0 0.02 0.02) = 0.049% HA ASN 57 - HN LEU 67 9.091% * 0.0453% (0.45 1.0 0.02 0.02) = 0.045% HA SER 88 - HN LEU 67 9.091% * 0.0156% (0.15 1.0 0.02 0.11) = 0.016% Peak 275 (1.20, 8.24, 123.72 ppm): 4 chemical-shift based assignments, quality = 0.794, support = 4.82, residual support = 113.8: * O HB2 LEU 67 - HN LEU 67 25.000% * 98.8423% (0.80 10.0 4.87 114.96) = 98.842% kept HB2 LEU 74 - HN LEU 67 25.000% * 1.0357% (0.28 1.0 0.60 17.09) = 1.036% kept HB3 ARG+ 22 - HN LEU 67 25.000% * 0.0799% (0.65 1.0 0.02 0.70) = 0.080% HG12 ILE 100 - HN LEU 67 25.000% * 0.0421% (0.34 1.0 0.02 8.63) = 0.042% Peak 276 (1.46, 8.24, 123.72 ppm): 8 chemical-shift based assignments, quality = 0.967, support = 4.5, residual support = 108.7: * O HB3 LEU 67 - HN LEU 67 12.500% * 94.5137% (0.98 10.0 4.72 114.96) = 94.514% kept HG13 ILE 48 - HN LEU 67 12.500% * 3.2650% (0.95 1.0 0.72 0.17) = 3.265% kept HB3 LYS+ 44 - HN LEU 67 12.500% * 1.9023% (0.53 1.0 0.75 0.80) = 1.902% kept HG3 PRO 52 - HN LEU 67 12.500% * 0.0962% (1.00 1.0 0.02 0.14) = 0.096% HG3 LYS+ 60 - HN LEU 67 12.500% * 0.0772% (0.80 1.0 0.02 0.02) = 0.077% HG2 PRO 59 - HN LEU 67 12.500% * 0.0772% (0.80 1.0 0.02 0.80) = 0.077% QB ALA 70 - HN LEU 67 12.500% * 0.0469% (0.49 1.0 0.02 0.02) = 0.047% HG LEU 90 - HN LEU 67 12.500% * 0.0215% (0.22 1.0 0.02 0.02) = 0.021% Peak 277 (0.76, 8.24, 123.72 ppm): 6 chemical-shift based assignments, quality = 0.416, support = 2.81, residual support = 12.7: HG3 LYS+ 66 - HN LEU 67 16.667% * 50.0360% (0.53 3.37 9.06) = 50.036% kept QD1 ILE 68 - HN LEU 67 16.667% * 22.9983% (0.22 3.66 34.86) = 22.998% kept QG2 VAL 65 - HN LEU 67 16.667% * 12.7276% (0.28 1.62 0.72) = 12.728% kept HG3 LYS+ 44 - HN LEU 67 16.667% * 9.0321% (0.53 0.61 0.80) = 9.032% kept QG2 ILE 48 - HN LEU 67 16.667% * 5.0941% (0.37 0.48 0.17) = 5.094% kept QG1 VAL 40 - HN LEU 67 16.667% * 0.1117% (0.20 0.02 0.02) = 0.112% Peak 278 (0.90, 8.24, 123.72 ppm): 11 chemical-shift based assignments, quality = 0.864, support = 4.83, residual support = 94.0: * QD1 LEU 67 - HN LEU 67 9.091% * 76.3057% (1.00 5.43 114.96) = 76.306% kept HG12 ILE 68 - HN LEU 67 9.091% * 18.0777% (0.34 3.76 34.86) = 18.078% kept QG1 VAL 47 - HN LEU 67 9.091% * 4.2255% (0.98 0.31 0.45) = 4.226% kept HG3 LYS+ 117 - HN LEU 67 9.091% * 0.2812% (1.00 0.02 0.02) = 0.281% QG2 VAL 87 - HN LEU 67 9.091% * 0.2665% (0.95 0.02 0.02) = 0.267% QG2 VAL 40 - HN LEU 67 9.091% * 0.2665% (0.95 0.02 0.02) = 0.267% QG1 VAL 80 - HN LEU 67 9.091% * 0.1823% (0.65 0.02 0.02) = 0.182% QG2 VAL 80 - HN LEU 67 9.091% * 0.1482% (0.53 0.02 0.02) = 0.148% HG3 LYS+ 110 - HN LEU 67 9.091% * 0.1158% (0.41 0.02 0.02) = 0.116% QG2 VAL 125 - HN LEU 67 9.091% * 0.0870% (0.31 0.02 0.02) = 0.087% QG2 VAL 105 - HN LEU 67 9.091% * 0.0435% (0.15 0.02 0.02) = 0.043% Peak 279 (1.07, 8.24, 123.72 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 0.282, residual support = 0.282: QG2 THR 95 - HN LEU 67 100.000% *100.0000% (0.76 0.28 0.28) = 100.000% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 280 (5.55, 8.24, 123.72 ppm): 1 chemical-shift based assignment, quality = 0.341, support = 6.09, residual support = 115.0: * O HA LEU 67 - HN LEU 67 100.000% *100.0000% (0.34 10.0 6.09 114.96) = 100.000% kept Peak 281 (2.03, 8.24, 123.72 ppm): 16 chemical-shift based assignments, quality = 0.778, support = 0.548, residual support = 0.155: HG3 GLU- 64 - HN LEU 67 6.250% * 32.3292% (0.99 0.60 0.16) = 32.329% kept HB3 GLU- 75 - HN LEU 67 6.250% * 25.2003% (0.49 0.95 0.26) = 25.200% kept HB3 GLU- 64 - HN LEU 67 6.250% * 22.9102% (0.99 0.42 0.16) = 22.910% kept HB3 GLU- 107 - HN LEU 67 6.250% * 4.1958% (0.84 0.09 0.02) = 4.196% kept HB2 GLU- 45 - HN LEU 67 6.250% * 4.1417% (0.31 0.25 0.02) = 4.142% kept HB3 PRO 31 - HN LEU 67 6.250% * 4.0203% (0.97 0.08 0.02) = 4.020% kept HB3 GLU- 54 - HN LEU 67 6.250% * 1.0873% (1.00 0.02 0.02) = 1.087% kept HB3 GLU- 10 - HN LEU 67 6.250% * 1.0801% (0.99 0.02 0.02) = 1.080% kept HG2 PRO 116 - HN LEU 67 6.250% * 0.8726% (0.80 0.02 0.02) = 0.873% HB3 LYS+ 110 - HN LEU 67 6.250% * 0.8726% (0.80 0.02 0.02) = 0.873% HG2 PRO 112 - HN LEU 67 6.250% * 0.6743% (0.62 0.02 0.02) = 0.674% HB2 GLU- 18 - HN LEU 67 6.250% * 0.6170% (0.57 0.02 0.02) = 0.617% HG3 PRO 112 - HN LEU 67 6.250% * 0.5733% (0.53 0.02 0.02) = 0.573% HB3 MET 118 - HN LEU 67 6.250% * 0.4886% (0.45 0.02 0.02) = 0.489% HB2 HIS+ 14 - HN LEU 67 6.250% * 0.4886% (0.45 0.02 0.02) = 0.489% HG3 PRO 86 - HN LEU 67 6.250% * 0.4480% (0.41 0.02 0.02) = 0.448% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 284 (4.43, 8.03, 123.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 285 (2.93, 8.03, 123.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 286 (0.90, 8.12, 123.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 287 (8.11, 8.12, 123.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 288 (1.98, 8.12, 123.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 289 (7.80, 7.80, 123.35 ppm): 1 diagonal assignment: * HN ALA 93 - HN ALA 93 (0.96) kept Peak 290 (1.37, 7.80, 123.35 ppm): 10 chemical-shift based assignments, quality = 0.511, support = 1.43, residual support = 2.34: * O QB ALA 93 - HN ALA 93 10.000% * 39.9891% (0.13 10.0 2.06 5.71) = 39.989% kept HB3 LEU 17 - HN ALA 93 10.000% * 13.4358% (0.64 1.0 1.41 0.23) = 13.436% kept HB3 LYS+ 20 - HN ALA 93 10.000% * 11.9905% (0.83 1.0 0.97 0.11) = 11.991% kept HG3 LYS+ 81 - HN ALA 93 10.000% * 11.1802% (0.52 1.0 1.44 0.11) = 11.180% kept QB ALA 11 - HN ALA 93 10.000% * 10.1326% (0.86 1.0 0.79 0.02) = 10.133% kept HG2 LYS+ 78 - HN ALA 93 10.000% * 7.5983% (1.00 1.0 0.51 0.02) = 7.598% kept QG2 THR 39 - HN ALA 93 10.000% * 5.2861% (0.94 1.0 0.38 0.02) = 5.286% kept HG13 ILE 68 - HN ALA 93 10.000% * 0.2366% (0.80 1.0 0.02 0.02) = 0.237% HD3 LYS+ 20 - HN ALA 93 10.000% * 0.1109% (0.37 1.0 0.02 0.11) = 0.111% HG13 ILE 100 - HN ALA 93 10.000% * 0.0400% (0.13 1.0 0.02 0.02) = 0.040% Peak 291 (4.30, 7.80, 123.35 ppm): 8 chemical-shift based assignments, quality = 0.783, support = 2.68, residual support = 5.57: * O HA ALA 93 - HN ALA 93 12.500% * 97.5450% (0.80 10.0 2.73 5.71) = 97.545% kept HA LEU 90 - HN ALA 93 12.500% * 1.9917% (0.31 1.0 1.06 0.15) = 1.992% kept HA ILE 29 - HN ALA 93 12.500% * 0.1152% (0.94 1.0 0.02 0.02) = 0.115% HA ASP- 36 - HN ALA 93 12.500% * 0.1057% (0.86 1.0 0.02 0.02) = 0.106% HA CYS 121 - HN ALA 93 12.500% * 0.0788% (0.64 1.0 0.02 0.02) = 0.079% HA THR 106 - HN ALA 93 12.500% * 0.0739% (0.60 1.0 0.02 0.02) = 0.074% HB3 CYS 121 - HN ALA 93 12.500% * 0.0593% (0.48 1.0 0.02 0.02) = 0.059% HA VAL 122 - HN ALA 93 12.500% * 0.0304% (0.25 1.0 0.02 0.02) = 0.030% Peak 292 (8.46, 7.80, 123.35 ppm): 6 chemical-shift based assignments, quality = 0.915, support = 2.62, residual support = 12.7: * T HN GLY 92 - HN ALA 93 16.667% * 99.6708% (0.92 10.00 2.63 12.76) = 99.671% kept HN GLU- 107 - HN ALA 93 16.667% * 0.1080% (1.00 1.00 0.02 0.02) = 0.108% HN LEU 74 - HN ALA 93 16.667% * 0.0698% (0.64 1.00 0.02 0.02) = 0.070% HN LYS+ 113 - HN ALA 93 16.667% * 0.0655% (0.60 1.00 0.02 0.02) = 0.065% HN GLU- 18 - HN ALA 93 16.667% * 0.0526% (0.48 1.00 0.02 0.02) = 0.053% HN GLU- 10 - HN ALA 93 16.667% * 0.0333% (0.31 1.00 0.02 0.02) = 0.033% Peak 293 (3.96, 7.80, 123.35 ppm): 3 chemical-shift based assignments, quality = 0.22, support = 2.48, residual support = 12.7: * O HA1 GLY 92 - HN ALA 93 33.333% * 99.4759% (0.22 10.0 2.49 12.76) = 99.476% kept HA1 GLY 114 - HN ALA 93 33.333% * 0.2890% (0.64 1.0 0.02 0.02) = 0.289% HA LEU 74 - HN ALA 93 33.333% * 0.2351% (0.52 1.0 0.02 0.02) = 0.235% Peak 294 (3.81, 7.80, 123.35 ppm): 5 chemical-shift based assignments, quality = 0.599, support = 1.59, residual support = 12.7: * O HA2 GLY 92 - HN ALA 93 20.000% * 99.2727% (0.60 10.0 1.60 12.76) = 99.273% kept HB3 SER 41 - HN ALA 93 20.000% * 0.2027% (0.99 1.0 0.02 0.02) = 0.203% HD3 PRO 112 - HN ALA 93 20.000% * 0.1834% (0.89 1.0 0.02 0.02) = 0.183% HD3 PRO 86 - HN ALA 93 20.000% * 0.1774% (0.86 1.0 0.02 0.02) = 0.177% HD3 PRO 116 - HN ALA 93 20.000% * 0.1638% (0.80 1.0 0.02 0.02) = 0.164% Peak 295 (8.21, 7.80, 123.35 ppm): 9 chemical-shift based assignments, quality = 0.824, support = 2.55, residual support = 9.91: * T HN VAL 94 - HN ALA 93 11.111% * 89.4537% (0.83 10.00 2.84 11.08) = 89.454% kept T HN VAL 105 - HN ALA 93 11.111% * 7.3957% (0.86 10.00 0.16 0.02) = 7.396% kept HN GLU- 45 - HN ALA 93 11.111% * 1.7336% (0.99 1.00 0.33 0.02) = 1.734% kept HN SER 49 - HN ALA 93 11.111% * 0.8268% (0.31 1.00 0.50 0.28) = 0.827% HN ALA 11 - HN ALA 93 11.111% * 0.4750% (0.96 1.00 0.09 0.02) = 0.475% HN ALA 33 - HN ALA 93 11.111% * 0.0650% (0.60 1.00 0.02 0.02) = 0.065% HN GLY 58 - HN ALA 93 11.111% * 0.0212% (0.20 1.00 0.02 0.02) = 0.021% HN LEU 67 - HN ALA 93 11.111% * 0.0145% (0.13 1.00 0.02 0.02) = 0.014% HN LYS+ 81 - HN ALA 93 11.111% * 0.0145% (0.13 1.00 0.02 0.11) = 0.014% Peak 296 (4.20, 7.80, 123.35 ppm): 5 chemical-shift based assignments, quality = 0.663, support = 0.64, residual support = 0.199: HB3 SER 49 - HN ALA 93 20.000% * 39.8359% (0.77 0.63 0.28) = 39.836% kept HA ASP- 82 - HN ALA 93 20.000% * 34.4252% (0.80 0.53 0.16) = 34.425% kept HA GLU- 12 - HN ALA 93 20.000% * 23.8996% (0.34 0.86 0.13) = 23.900% kept HA VAL 65 - HN ALA 93 20.000% * 0.9850% (0.60 0.02 0.02) = 0.985% HA VAL 73 - HN ALA 93 20.000% * 0.8544% (0.52 0.02 0.02) = 0.854% Peak 297 (7.58, 7.59, 122.90 ppm): 1 diagonal assignment: * HN LYS+ 78 - HN LYS+ 78 (0.92) kept Peak 298 (8.15, 7.59, 122.90 ppm): 4 chemical-shift based assignments, quality = 0.902, support = 4.0, residual support = 14.1: * T HN SER 77 - HN LYS+ 78 25.000% * 99.7388% (0.90 10.00 4.01 14.12) = 99.739% kept T HN GLY 26 - HN LYS+ 78 25.000% * 0.1782% (0.16 10.00 0.02 0.02) = 0.178% HN SER 41 - HN LYS+ 78 25.000% * 0.0576% (0.52 1.00 0.02 0.14) = 0.058% HN GLN 16 - HN LYS+ 78 25.000% * 0.0254% (0.23 1.00 0.02 0.02) = 0.025% Peak 299 (2.38, 7.59, 122.90 ppm): 6 chemical-shift based assignments, quality = 0.915, support = 5.33, residual support = 41.0: * O HB2 LYS+ 78 - HN LYS+ 78 16.667% * 98.1911% (0.92 10.0 5.43 41.73) = 98.191% kept HB3 ASP- 28 - HN LYS+ 78 16.667% * 1.0305% (0.85 1.0 0.23 0.47) = 1.030% kept HB3 GLU- 50 - HN LYS+ 78 16.667% * 0.4123% (0.80 1.0 0.10 0.02) = 0.412% HG2 PRO 112 - HN LYS+ 78 16.667% * 0.3216% (0.66 1.0 0.09 0.02) = 0.322% HG3 GLU- 50 - HN LYS+ 78 16.667% * 0.0273% (0.26 1.0 0.02 0.02) = 0.027% HB2 GLU- 64 - HN LYS+ 78 16.667% * 0.0172% (0.16 1.0 0.02 0.02) = 0.017% Peak 300 (4.51, 7.59, 122.90 ppm): 6 chemical-shift based assignments, quality = 0.426, support = 2.43, residual support = 15.5: * O HA SER 77 - HN LYS+ 78 16.667% * 81.8684% (0.37 10.0 2.47 14.12) = 81.868% kept HB THR 79 - HN LYS+ 78 16.667% * 17.5974% (0.69 1.0 2.31 22.64) = 17.597% kept HA LYS+ 55 - HN LYS+ 78 16.667% * 0.1922% (0.87 1.0 0.02 0.02) = 0.192% HB THR 46 - HN LYS+ 78 16.667% * 0.1922% (0.87 1.0 0.02 0.02) = 0.192% HA CYS 123 - HN LYS+ 78 16.667% * 0.0819% (0.37 1.0 0.02 0.02) = 0.082% HA ALA 103 - HN LYS+ 78 16.667% * 0.0679% (0.31 1.0 0.02 0.02) = 0.068% Peak 301 (1.62, 7.59, 122.90 ppm): 10 chemical-shift based assignments, quality = 0.891, support = 4.26, residual support = 39.0: * HG3 LYS+ 78 - HN LYS+ 78 10.000% * 93.3623% (0.91 4.55 41.73) = 93.362% kept HB ILE 68 - HN LYS+ 78 10.000% * 4.2454% (0.87 0.22 0.02) = 4.245% kept HG LEU 43 - HN LYS+ 78 10.000% * 0.3916% (0.87 0.02 0.02) = 0.392% HB VAL 122 - HN LYS+ 78 10.000% * 0.3916% (0.87 0.02 0.02) = 0.392% HG12 ILE 101 - HN LYS+ 78 10.000% * 0.3821% (0.85 0.02 0.02) = 0.382% HG LEU 23 - HN LYS+ 78 10.000% * 0.3591% (0.80 0.02 0.02) = 0.359% HG2 LYS+ 110 - HN LYS+ 78 10.000% * 0.3163% (0.71 0.02 0.02) = 0.316% HB3 PRO 52 - HN LYS+ 78 10.000% * 0.2511% (0.56 0.02 0.02) = 0.251% HD3 LYS+ 32 - HN LYS+ 78 10.000% * 0.1856% (0.41 0.02 0.02) = 0.186% HG2 ARG+ 22 - HN LYS+ 78 10.000% * 0.1151% (0.26 0.02 0.02) = 0.115% Peak 302 (2.15, 7.59, 122.90 ppm): 11 chemical-shift based assignments, quality = 0.839, support = 4.95, residual support = 40.2: * O HB3 LYS+ 78 - HN LYS+ 78 9.091% * 96.2236% (0.85 10.0 5.13 41.73) = 96.224% kept HB VAL 47 - HN LYS+ 78 9.091% * 1.6245% (0.91 1.0 0.31 0.02) = 1.624% kept HB2 ASP- 82 - HN LYS+ 78 9.091% * 1.4118% (0.28 1.0 0.88 0.92) = 1.412% kept HG2 PRO 112 - HN LYS+ 78 9.091% * 0.4512% (0.87 1.0 0.09 0.02) = 0.451% HG2 PRO 104 - HN LYS+ 78 9.091% * 0.0835% (0.74 1.0 0.02 0.02) = 0.083% HB3 GLU- 75 - HN LYS+ 78 9.091% * 0.0616% (0.55 1.0 0.02 0.02) = 0.062% HB2 ASP- 28 - HN LYS+ 78 9.091% * 0.0507% (0.45 1.0 0.02 0.47) = 0.051% HG2 GLN 102 - HN LYS+ 78 9.091% * 0.0356% (0.31 1.0 0.02 0.02) = 0.036% HG2 GLU- 45 - HN LYS+ 78 9.091% * 0.0232% (0.21 1.0 0.02 0.02) = 0.023% HB3 PRO 104 - HN LYS+ 78 9.091% * 0.0183% (0.16 1.0 0.02 0.02) = 0.018% HB VAL 99 - HN LYS+ 78 9.091% * 0.0161% (0.14 1.0 0.02 0.02) = 0.016% Peak 303 (1.37, 7.59, 122.90 ppm): 8 chemical-shift based assignments, quality = 0.856, support = 3.37, residual support = 30.1: * HG2 LYS+ 78 - HN LYS+ 78 12.500% * 71.9780% (0.90 4.38 41.73) = 71.978% kept QG2 THR 39 - HN LYS+ 78 12.500% * 16.0499% (0.80 1.10 0.13) = 16.050% kept HG13 ILE 68 - HN LYS+ 78 12.500% * 6.3197% (0.63 0.55 0.02) = 6.320% kept HG3 LYS+ 81 - HN LYS+ 78 12.500% * 2.8439% (0.60 0.26 0.02) = 2.844% kept HB3 LYS+ 20 - HN LYS+ 78 12.500% * 1.3000% (0.85 0.08 0.02) = 1.300% kept HB3 LEU 17 - HN LYS+ 78 12.500% * 1.0977% (0.71 0.09 0.02) = 1.098% kept QB ALA 11 - HN LYS+ 78 12.500% * 0.3175% (0.87 0.02 0.02) = 0.318% HD3 LYS+ 20 - HN LYS+ 78 12.500% * 0.0933% (0.26 0.02 0.02) = 0.093% Peak 304 (6.73, 7.59, 122.90 ppm): 2 chemical-shift based assignments, quality = 0.823, support = 0.739, residual support = 2.45: * QE TYR 83 - HN LYS+ 78 50.000% * 98.4597% (0.83 0.75 2.49) = 98.460% kept HZ3 TRP 51 - HN LYS+ 78 50.000% * 1.5403% (0.49 0.02 0.02) = 1.540% kept Peak 305 (4.76, 8.28, 122.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 306 (4.27, 8.28, 122.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 307 (4.31, 8.31, 122.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 308 (4.75, 8.31, 122.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 309 (8.22, 8.22, 123.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 310 (1.80, 8.22, 123.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 311 (8.93, 8.94, 123.00 ppm): 1 diagonal assignment: * HN PHE 21 - HN PHE 21 (0.92) kept Peak 312 (4.70, 8.94, 123.00 ppm): 7 chemical-shift based assignments, quality = 0.568, support = 2.18, residual support = 4.12: * O HA LYS+ 20 - HN PHE 21 14.286% * 76.0898% (0.45 10.0 2.37 4.40) = 76.090% kept HA VAL 99 - HN PHE 21 14.286% * 17.4268% (1.00 1.0 2.06 4.45) = 17.427% kept HA2 GLY 30 - HN PHE 21 14.286% * 3.1904% (0.76 1.0 0.49 0.02) = 3.190% kept HA THR 61 - HN PHE 21 14.286% * 2.1069% (0.94 1.0 0.26 0.02) = 2.107% kept HA GLN 16 - HN PHE 21 14.286% * 1.0021% (0.98 1.0 0.12 0.02) = 1.002% kept HA THR 39 - HN PHE 21 14.286% * 0.1418% (0.83 1.0 0.02 0.02) = 0.142% HA ASN 89 - HN PHE 21 14.286% * 0.0423% (0.25 1.0 0.02 0.19) = 0.042% Peak 313 (1.35, 8.94, 123.00 ppm): 7 chemical-shift based assignments, quality = 0.39, support = 3.16, residual support = 12.4: HB2 ARG+ 22 - HN PHE 21 14.286% * 51.0087% (0.41 3.64 20.17) = 51.009% kept * HB3 LYS+ 20 - HN PHE 21 14.286% * 41.7513% (0.41 2.98 4.40) = 41.751% kept QG2 THR 46 - HN PHE 21 14.286% * 5.9687% (0.15 1.13 4.41) = 5.969% kept HG3 LYS+ 81 - HN PHE 21 14.286% * 0.4957% (0.73 0.02 0.02) = 0.496% HB3 LEU 17 - HN PHE 21 14.286% * 0.4140% (0.61 0.02 0.84) = 0.414% QB ALA 11 - HN PHE 21 14.286% * 0.2562% (0.37 0.02 0.02) = 0.256% HG2 LYS+ 78 - HN PHE 21 14.286% * 0.1053% (0.15 0.02 0.02) = 0.105% Peak 314 (9.29, 8.94, 123.00 ppm): 2 chemical-shift based assignments, quality = 0.805, support = 3.33, residual support = 26.0: * T HN ILE 29 - HN PHE 21 50.000% * 82.4866% (0.76 10.00 3.34 30.76) = 82.487% kept HN LEU 23 - HN PHE 21 50.000% * 17.5134% (1.00 1.00 3.25 3.50) = 17.513% kept Peak 315 (2.74, 8.94, 123.00 ppm): 2 chemical-shift based assignments, quality = 0.729, support = 4.34, residual support = 48.9: * O HB3 PHE 21 - HN PHE 21 50.000% * 98.3502% (0.73 10.0 4.41 49.74) = 98.350% kept HB3 ASP- 115 - HN PHE 21 50.000% * 1.6498% (0.94 1.0 0.26 0.14) = 1.650% kept Peak 316 (6.89, 8.94, 123.00 ppm): 3 chemical-shift based assignments, quality = 0.972, support = 4.76, residual support = 49.4: * QD PHE 21 - HN PHE 21 33.333% * 99.2674% (0.98 4.80 49.74) = 99.267% kept HD21 ASN 119 - HN PHE 21 33.333% * 0.3663% (0.87 0.02 0.59) = 0.366% HD22 ASN 15 - HN PHE 21 33.333% * 0.3663% (0.87 0.02 0.02) = 0.366% Peak 317 (0.98, 8.94, 123.00 ppm): 2 chemical-shift based assignments, quality = 0.267, support = 1.14, residual support = 4.45: QG1 VAL 99 - HN PHE 21 50.000% * 61.8926% (0.28 1.29 4.45) = 61.893% kept * QG2 VAL 99 - HN PHE 21 50.000% * 38.1074% (0.25 0.89 4.45) = 38.107% kept Peak 318 (5.26, 8.94, 123.00 ppm): 1 chemical-shift based assignment, quality = 0.866, support = 3.49, residual support = 49.7: * O HA PHE 21 - HN PHE 21 100.000% *100.0000% (0.87 10.0 3.49 49.74) = 100.000% kept Peak 319 (1.80, 8.20, 122.83 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 320 (8.21, 8.20, 122.83 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 321 (0.86, 8.20, 122.83 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 322 (1.75, 8.36, 122.79 ppm): 8 chemical-shift based assignments, quality = 0.864, support = 0.0898, residual support = 0.07: HD3 PRO 59 - HN LYS+ 108 12.500% * 33.4377% (0.92 0.12 0.17) = 33.438% kept HB ILE 48 - HN LYS+ 108 12.500% * 25.6458% (0.80 0.10 0.02) = 25.646% kept HB3 LEU 23 - HN LYS+ 108 12.500% * 23.8901% (0.92 0.08 0.02) = 23.890% kept HB2 LEU 17 - HN LYS+ 108 12.500% * 6.0854% (0.99 0.02 0.02) = 6.085% kept HB2 LYS+ 117 - HN LYS+ 108 12.500% * 5.8079% (0.95 0.02 0.02) = 5.808% kept HB3 GLU- 18 - HN LYS+ 108 12.500% * 1.8950% (0.31 0.02 0.02) = 1.895% kept HG2 ARG+ 84 - HN LYS+ 108 12.500% * 1.7071% (0.28 0.02 0.02) = 1.707% kept HB2 ARG+ 84 - HN LYS+ 108 12.500% * 1.5310% (0.25 0.02 0.02) = 1.531% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 323 (4.25, 8.36, 122.79 ppm): 20 chemical-shift based assignments, quality = 0.855, support = 2.4, residual support = 9.75: * O HA LYS+ 108 - HN LYS+ 108 5.000% * 51.7472% (0.87 10.0 3.08 13.53) = 51.747% kept O HA GLU- 107 - HN LYS+ 108 5.000% * 44.5201% (0.87 10.0 1.72 5.96) = 44.520% kept HA GLU- 109 - HN LYS+ 108 5.000% * 2.0839% (0.41 1.0 1.70 4.61) = 2.084% kept HA PRO 59 - HN LYS+ 108 5.000% * 1.1418% (1.00 1.0 0.38 0.17) = 1.142% kept HA ALA 11 - HN LYS+ 108 5.000% * 0.0564% (0.95 1.0 0.02 0.02) = 0.056% HA ASN 76 - HN LYS+ 108 5.000% * 0.0535% (0.90 1.0 0.02 0.02) = 0.054% HA ASN 119 - HN LYS+ 108 5.000% * 0.0517% (0.87 1.0 0.02 0.02) = 0.052% HA GLU- 54 - HN LYS+ 108 5.000% * 0.0517% (0.87 1.0 0.02 0.02) = 0.052% HA GLU- 10 - HN LYS+ 108 5.000% * 0.0517% (0.87 1.0 0.02 0.02) = 0.052% HA ALA 42 - HN LYS+ 108 5.000% * 0.0410% (0.69 1.0 0.02 0.02) = 0.041% HA SER 49 - HN LYS+ 108 5.000% * 0.0362% (0.61 1.0 0.02 0.02) = 0.036% HA GLU- 75 - HN LYS+ 108 5.000% * 0.0338% (0.57 1.0 0.02 0.02) = 0.034% HA GLU- 64 - HN LYS+ 108 5.000% * 0.0314% (0.53 1.0 0.02 0.02) = 0.031% HA GLU- 56 - HN LYS+ 108 5.000% * 0.0224% (0.38 1.0 0.02 0.02) = 0.022% HB3 SER 49 - HN LYS+ 108 5.000% * 0.0208% (0.35 1.0 0.02 0.02) = 0.021% HA PRO 52 - HN LYS+ 108 5.000% * 0.0118% (0.20 1.0 0.02 0.02) = 0.012% HA ARG+ 84 - HN LYS+ 108 5.000% * 0.0118% (0.20 1.0 0.02 0.02) = 0.012% HA SER 85 - HN LYS+ 108 5.000% * 0.0118% (0.20 1.0 0.02 0.02) = 0.012% HA VAL 94 - HN LYS+ 108 5.000% * 0.0104% (0.18 1.0 0.02 0.02) = 0.010% HA GLU- 12 - HN LYS+ 108 5.000% * 0.0104% (0.18 1.0 0.02 0.02) = 0.010% Peak 324 (4.74, 8.36, 122.79 ppm): 4 chemical-shift based assignments, quality = 0.349, support = 0.0573, residual support = 0.02: HA THR 39 - HN LYS+ 108 25.000% * 51.7735% (0.25 0.09 0.02) = 51.774% kept HA LYS+ 20 - HN LYS+ 108 25.000% * 27.3507% (0.61 0.02 0.02) = 27.351% kept HA2 GLY 30 - HN LYS+ 108 25.000% * 13.9180% (0.31 0.02 0.02) = 13.918% kept HA THR 61 - HN LYS+ 108 25.000% * 6.9577% (0.15 0.02 0.02) = 6.958% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 325 (1.42, 8.36, 122.79 ppm): 13 chemical-shift based assignments, quality = 0.781, support = 0.0958, residual support = 0.02: QG2 THR 38 - HN LYS+ 108 7.692% * 35.2167% (0.95 0.16 0.02) = 35.217% kept QB ALA 37 - HN LYS+ 108 7.692% * 16.1517% (0.76 0.09 0.02) = 16.152% kept HG13 ILE 100 - HN LYS+ 108 7.692% * 10.2990% (0.53 0.09 0.02) = 10.299% kept HD3 LYS+ 20 - HN LYS+ 108 7.692% * 6.6577% (0.22 0.13 0.02) = 6.658% kept HD3 LYS+ 44 - HN LYS+ 108 7.692% * 4.5900% (1.00 0.02 0.02) = 4.590% kept QB ALA 91 - HN LYS+ 108 7.692% * 4.4992% (0.98 0.02 0.02) = 4.499% kept HD3 LYS+ 113 - HN LYS+ 108 7.692% * 3.9815% (0.87 0.02 0.02) = 3.982% kept HG3 LYS+ 55 - HN LYS+ 108 7.692% * 3.8339% (0.84 0.02 0.02) = 3.834% kept HG3 ARG+ 22 - HN LYS+ 108 7.692% * 3.8339% (0.84 0.02 0.02) = 3.834% kept HG3 LYS+ 113 - HN LYS+ 108 7.692% * 3.5078% (0.76 0.02 0.02) = 3.508% kept HG LEU 67 - HN LYS+ 108 7.692% * 2.5987% (0.57 0.02 0.02) = 2.599% kept HG LEU 90 - HN LYS+ 108 7.692% * 2.4149% (0.53 0.02 0.02) = 2.415% kept QB ALA 93 - HN LYS+ 108 7.692% * 2.4149% (0.53 0.02 0.02) = 2.415% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 326 (8.34, 8.36, 122.79 ppm): 1 diagonal assignment: * HN LYS+ 108 - HN LYS+ 108 (0.61) kept Peak 327 (2.00, 8.36, 122.79 ppm): 16 chemical-shift based assignments, quality = 0.492, support = 2.48, residual support = 12.0: * O HB2 LYS+ 108 - HN LYS+ 108 6.250% * 80.6911% (0.45 10.0 2.47 13.53) = 80.691% kept HB3 GLU- 107 - HN LYS+ 108 6.250% * 17.8670% (0.73 1.0 2.73 5.96) = 17.867% kept HB3 MET 118 - HN LYS+ 108 6.250% * 0.1784% (0.99 1.0 0.02 0.02) = 0.178% HB2 HIS+ 14 - HN LYS+ 108 6.250% * 0.1784% (0.99 1.0 0.02 0.02) = 0.178% HG3 PRO 112 - HN LYS+ 108 6.250% * 0.1737% (0.97 1.0 0.02 0.02) = 0.174% HB2 GLU- 18 - HN LYS+ 108 6.250% * 0.1703% (0.95 1.0 0.02 0.02) = 0.170% HG2 PRO 116 - HN LYS+ 108 6.250% * 0.1375% (0.76 1.0 0.02 0.02) = 0.138% HG2 PRO 112 - HN LYS+ 108 6.250% * 0.0999% (0.55 1.0 0.02 0.02) = 0.100% HB3 PRO 31 - HN LYS+ 108 6.250% * 0.0947% (0.53 1.0 0.02 0.02) = 0.095% HB3 GLU- 10 - HN LYS+ 108 6.250% * 0.0807% (0.45 1.0 0.02 0.02) = 0.081% HB3 GLU- 64 - HN LYS+ 108 6.250% * 0.0807% (0.45 1.0 0.02 0.02) = 0.081% HB3 GLU- 54 - HN LYS+ 108 6.250% * 0.0614% (0.34 1.0 0.02 0.02) = 0.061% HG3 GLU- 64 - HN LYS+ 108 6.250% * 0.0556% (0.31 1.0 0.02 0.02) = 0.056% HB3 GLU- 75 - HN LYS+ 108 6.250% * 0.0529% (0.29 1.0 0.02 0.02) = 0.053% HB2 PRO 86 - HN LYS+ 108 6.250% * 0.0500% (0.28 1.0 0.02 0.02) = 0.050% HB3 GLU- 56 - HN LYS+ 108 6.250% * 0.0278% (0.15 1.0 0.02 0.02) = 0.028% Peak 328 (3.99, 8.43, 122.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 329 (3.06, 8.43, 122.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 330 (0.82, 8.43, 122.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 331 (3.18, 8.43, 122.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 341 (0.87, 8.18, 122.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 342 (4.67, 8.11, 122.75 ppm): 15 chemical-shift based assignments, quality = 0.18, support = 0.886, residual support = 0.723: O HA LYS+ 120 - HN CYS 121 6.667% * 86.1895% (0.14 10.0 1.00 0.84) = 86.189% kept HA TYR 83 - HN VAL 122 6.667% * 8.2114% (0.62 1.0 0.22 0.02) = 8.211% kept HA TYR 83 - HN CYS 121 6.667% * 2.6842% (0.21 1.0 0.21 0.02) = 2.684% kept HA PRO 35 - HN VAL 122 6.667% * 0.7114% (0.59 1.0 0.02 0.02) = 0.711% HA ASN 89 - HN VAL 122 6.667% * 0.6745% (0.56 1.0 0.02 0.02) = 0.674% HA LYS+ 120 - HN VAL 122 6.667% * 0.5166% (0.43 1.0 0.02 0.02) = 0.517% HA PRO 35 - HN CYS 121 6.667% * 0.2374% (0.20 1.0 0.02 0.02) = 0.237% HA ASN 89 - HN CYS 121 6.667% * 0.2251% (0.19 1.0 0.02 0.02) = 0.225% HA GLN 16 - HN VAL 122 6.667% * 0.1160% (0.10 1.0 0.02 0.02) = 0.116% HA TYR 83 - HN GLU- 75 6.667% * 0.1071% (0.09 1.0 0.02 2.23) = 0.107% HA PRO 35 - HN GLU- 75 6.667% * 0.1015% (0.08 1.0 0.02 0.02) = 0.102% HA ASN 89 - HN GLU- 75 6.667% * 0.0963% (0.08 1.0 0.02 0.02) = 0.096% HA LYS+ 120 - HN GLU- 75 6.667% * 0.0737% (0.06 1.0 0.02 0.02) = 0.074% HA GLN 16 - HN CYS 121 6.667% * 0.0387% (0.03 1.0 0.02 0.02) = 0.039% HA GLN 16 - HN GLU- 75 6.667% * 0.0166% (0.01 1.0 0.02 0.02) = 0.017% Not enough quality. Peak unassigned. Peak 343 (8.07, 8.07, 122.75 ppm): 3 diagonal assignments: HN CYS 121 - HN CYS 121 (0.69) kept HN GLU- 75 - HN GLU- 75 (0.37) kept * HN VAL 122 - HN VAL 122 (0.19) kept Peak 344 (0.89, 8.11, 122.75 ppm): 27 chemical-shift based assignments, quality = 0.189, support = 0.891, residual support = 0.294: QG2 VAL 40 - HN GLU- 75 3.704% * 29.5863% (0.06 2.11 0.85) = 29.586% kept QD1 LEU 67 - HN GLU- 75 3.704% * 11.6641% (0.05 1.08 0.26) = 11.664% kept QG2 VAL 125 - HN VAL 122 3.704% * 10.7165% (0.59 0.08 0.02) = 10.717% kept QG2 VAL 87 - HN VAL 122 3.704% * 9.6854% (0.43 0.10 0.02) = 9.685% kept HG3 LYS+ 117 - HN GLU- 75 3.704% * 8.3277% (0.04 0.91 0.02) = 8.328% kept QG1 VAL 47 - HN GLU- 75 3.704% * 6.9227% (0.05 0.56 0.02) = 6.923% kept QG2 VAL 125 - HN CYS 121 3.704% * 4.0385% (0.20 0.09 0.02) = 4.038% kept QG1 VAL 80 - HN VAL 122 3.704% * 2.7636% (0.60 0.02 0.02) = 2.764% kept QD1 LEU 67 - HN CYS 121 3.704% * 2.4668% (0.11 0.10 0.02) = 2.467% kept QG2 VAL 40 - HN VAL 122 3.704% * 1.9671% (0.43 0.02 0.02) = 1.967% kept QG1 VAL 47 - HN VAL 122 3.704% * 1.7369% (0.38 0.02 0.02) = 1.737% kept QD1 LEU 67 - HN VAL 122 3.704% * 1.5066% (0.33 0.02 0.02) = 1.507% kept HG3 LYS+ 117 - HN VAL 122 3.704% * 1.2839% (0.28 0.02 0.02) = 1.284% kept QG2 ILE 100 - HN VAL 122 3.704% * 1.0748% (0.23 0.02 0.02) = 1.075% kept QD1 LEU 90 - HN VAL 122 3.704% * 0.9768% (0.21 0.02 0.02) = 0.977% QG1 VAL 80 - HN CYS 121 3.704% * 0.9222% (0.20 0.02 0.02) = 0.922% QG2 VAL 40 - HN CYS 121 3.704% * 0.6564% (0.14 0.02 0.02) = 0.656% QG2 VAL 87 - HN CYS 121 3.704% * 0.6564% (0.14 0.02 0.02) = 0.656% QG1 VAL 47 - HN CYS 121 3.704% * 0.5796% (0.13 0.02 0.02) = 0.580% HG3 LYS+ 117 - HN CYS 121 3.704% * 0.4284% (0.09 0.02 0.02) = 0.428% QG1 VAL 80 - HN GLU- 75 3.704% * 0.3945% (0.09 0.02 0.02) = 0.394% QG2 VAL 125 - HN GLU- 75 3.704% * 0.3867% (0.08 0.02 0.02) = 0.387% QG2 ILE 100 - HN CYS 121 3.704% * 0.3586% (0.08 0.02 0.02) = 0.359% QD1 LEU 90 - HN CYS 121 3.704% * 0.3260% (0.07 0.02 0.02) = 0.326% QG2 VAL 87 - HN GLU- 75 3.704% * 0.2808% (0.06 0.02 0.02) = 0.281% QG2 ILE 100 - HN GLU- 75 3.704% * 0.1534% (0.03 0.02 0.02) = 0.153% QD1 LEU 90 - HN GLU- 75 3.704% * 0.1394% (0.03 0.02 0.39) = 0.139% Not enough quality. Peak unassigned. Peak 345 (1.96, 8.07, 122.75 ppm): 45 chemical-shift based assignments, quality = 0.265, support = 1.58, residual support = 16.4: O HB2 GLU- 75 - HN GLU- 75 2.222% * 67.6579% (0.20 10.0 2.00 24.11) = 67.658% kept HB VAL 13 - HN CYS 121 2.222% * 10.7357% (0.72 1.0 0.87 0.14) = 10.736% kept HB VAL 13 - HN GLU- 75 2.222% * 7.2218% (0.37 1.0 1.13 0.56) = 7.222% kept HB VAL 73 - HN GLU- 75 2.222% * 3.7597% (0.27 1.0 0.80 0.02) = 3.760% kept HB VAL 73 - HN CYS 121 2.222% * 1.6600% (0.53 1.0 0.18 0.02) = 1.660% kept HG2 PRO 112 - HN GLU- 75 2.222% * 1.6305% (0.16 1.0 0.60 0.30) = 1.631% kept HB2 GLU- 75 - HN CYS 121 2.222% * 1.2027% (0.38 1.0 0.18 0.02) = 1.203% kept HB2 PRO 86 - HN VAL 122 2.222% * 1.1729% (0.17 1.0 0.40 0.02) = 1.173% kept HB VAL 73 - HN VAL 122 2.222% * 0.5973% (0.36 1.0 0.10 0.02) = 0.597% HB2 GLU- 75 - HN VAL 122 2.222% * 0.4328% (0.26 1.0 0.10 0.02) = 0.433% HB3 GLU- 109 - HN CYS 121 2.222% * 0.2496% (0.72 1.0 0.02 0.02) = 0.250% HG3 PRO 116 - HN CYS 121 2.222% * 0.2452% (0.71 1.0 0.02 0.02) = 0.245% HB2 PRO 35 - HN CYS 121 2.222% * 0.2366% (0.69 1.0 0.02 0.02) = 0.237% HG3 PRO 31 - HN CYS 121 2.222% * 0.1912% (0.55 1.0 0.02 0.02) = 0.191% HB3 LYS+ 55 - HN CYS 121 2.222% * 0.1817% (0.53 1.0 0.02 0.02) = 0.182% HB3 GLU- 109 - HN VAL 122 2.222% * 0.1703% (0.49 1.0 0.02 0.02) = 0.170% HB VAL 13 - HN VAL 122 2.222% * 0.1691% (0.49 1.0 0.02 0.02) = 0.169% HG3 PRO 116 - HN VAL 122 2.222% * 0.1673% (0.49 1.0 0.02 0.02) = 0.167% HG3 PRO 104 - HN CYS 121 2.222% * 0.1618% (0.47 1.0 0.02 0.02) = 0.162% HB2 PRO 35 - HN VAL 122 2.222% * 0.1614% (0.47 1.0 0.02 0.02) = 0.161% HB3 GLU- 56 - HN CYS 121 2.222% * 0.1316% (0.38 1.0 0.02 0.02) = 0.132% HG3 PRO 31 - HN VAL 122 2.222% * 0.1304% (0.38 1.0 0.02 0.02) = 0.130% HB3 GLU- 109 - HN GLU- 75 2.222% * 0.1285% (0.37 1.0 0.02 0.02) = 0.128% HG3 PRO 116 - HN GLU- 75 2.222% * 0.1262% (0.37 1.0 0.02 0.02) = 0.126% HB3 LYS+ 55 - HN VAL 122 2.222% * 0.1239% (0.36 1.0 0.02 0.02) = 0.124% HB2 PRO 35 - HN GLU- 75 2.222% * 0.1218% (0.35 1.0 0.02 0.02) = 0.122% HG3 PRO 104 - HN VAL 122 2.222% * 0.1104% (0.32 1.0 0.02 0.02) = 0.110% HG2 PRO 112 - HN CYS 121 2.222% * 0.1051% (0.31 1.0 0.02 0.02) = 0.105% HG3 PRO 31 - HN GLU- 75 2.222% * 0.0984% (0.29 1.0 0.02 0.02) = 0.098% HB3 LYS+ 55 - HN GLU- 75 2.222% * 0.0935% (0.27 1.0 0.02 0.02) = 0.093% HB3 GLU- 56 - HN VAL 122 2.222% * 0.0898% (0.26 1.0 0.02 0.02) = 0.090% HB2 PRO 86 - HN CYS 121 2.222% * 0.0853% (0.25 1.0 0.02 0.02) = 0.085% HG3 PRO 104 - HN GLU- 75 2.222% * 0.0833% (0.24 1.0 0.02 0.02) = 0.083% * HG2 PRO 112 - HN VAL 122 2.222% * 0.0717% (0.21 1.0 0.02 0.02) = 0.072% HB3 GLU- 56 - HN GLU- 75 2.222% * 0.0677% (0.20 1.0 0.02 0.02) = 0.068% HB2 PRO 116 - HN CYS 121 2.222% * 0.0624% (0.18 1.0 0.02 0.02) = 0.062% HB2 GLU- 10 - HN CYS 121 2.222% * 0.0624% (0.18 1.0 0.02 0.02) = 0.062% HB2 LYS+ 108 - HN CYS 121 2.222% * 0.0495% (0.14 1.0 0.02 0.02) = 0.050% HB2 PRO 86 - HN GLU- 75 2.222% * 0.0439% (0.13 1.0 0.02 0.02) = 0.044% HB2 PRO 116 - HN VAL 122 2.222% * 0.0426% (0.12 1.0 0.02 0.02) = 0.043% HB2 GLU- 10 - HN VAL 122 2.222% * 0.0426% (0.12 1.0 0.02 0.02) = 0.043% HB2 LYS+ 108 - HN VAL 122 2.222% * 0.0338% (0.10 1.0 0.02 0.02) = 0.034% HB2 PRO 116 - HN GLU- 75 2.222% * 0.0321% (0.09 1.0 0.02 0.02) = 0.032% HB2 GLU- 10 - HN GLU- 75 2.222% * 0.0321% (0.09 1.0 0.02 0.02) = 0.032% HB2 LYS+ 108 - HN GLU- 75 2.222% * 0.0255% (0.07 1.0 0.02 0.02) = 0.025% Reference assignment eliminated. Peak 347 (2.19, 8.07, 122.75 ppm): 33 chemical-shift based assignments, quality = 0.196, support = 2.4, residual support = 16.1: O HB3 GLU- 75 - HN GLU- 75 3.030% * 66.6514% (0.11 10.0 3.42 24.11) = 66.651% kept HB2 ASP- 82 - HN CYS 121 3.030% * 7.9314% (0.61 1.0 0.42 0.02) = 7.931% kept HG2 PRO 112 - HN GLU- 75 3.030% * 6.9175% (0.37 1.0 0.60 0.30) = 6.918% kept HB2 ASP- 82 - HN VAL 122 3.030% * 5.4848% (0.41 1.0 0.42 0.02) = 5.485% kept HB2 ASP- 82 - HN GLU- 75 3.030% * 4.3886% (0.31 1.0 0.45 0.02) = 4.389% kept HG2 MET 126 - HN CYS 121 3.030% * 1.4352% (0.58 1.0 0.08 0.02) = 1.435% kept HB3 GLU- 75 - HN CYS 121 3.030% * 1.1834% (0.21 1.0 0.18 0.02) = 1.183% kept HG2 MET 126 - HN VAL 122 3.030% * 1.1057% (0.40 1.0 0.09 0.02) = 1.106% kept HG2 PRO 112 - HN CYS 121 3.030% * 0.4461% (0.71 1.0 0.02 0.02) = 0.446% HB VAL 99 - HN CYS 121 3.030% * 0.4441% (0.71 1.0 0.02 0.02) = 0.444% HB3 PRO 104 - HN CYS 121 3.030% * 0.4372% (0.70 1.0 0.02 0.02) = 0.437% HB3 GLU- 75 - HN VAL 122 3.030% * 0.4258% (0.14 1.0 0.10 0.02) = 0.426% HG2 GLN 102 - HN CYS 121 3.030% * 0.3628% (0.58 1.0 0.02 0.02) = 0.363% * HG2 PRO 112 - HN VAL 122 3.030% * 0.3043% (0.49 1.0 0.02 0.02) = 0.304% HB VAL 99 - HN VAL 122 3.030% * 0.3029% (0.49 1.0 0.02 0.02) = 0.303% HB3 PRO 104 - HN VAL 122 3.030% * 0.2983% (0.48 1.0 0.02 0.02) = 0.298% HG2 GLN 102 - HN VAL 122 3.030% * 0.2475% (0.40 1.0 0.02 0.02) = 0.247% HB VAL 99 - HN GLU- 75 3.030% * 0.2286% (0.37 1.0 0.02 0.02) = 0.229% HB3 PRO 104 - HN GLU- 75 3.030% * 0.2250% (0.36 1.0 0.02 0.02) = 0.225% HG2 MET 126 - HN GLU- 75 3.030% * 0.1867% (0.30 1.0 0.02 0.02) = 0.187% HG2 GLN 102 - HN GLU- 75 3.030% * 0.1867% (0.30 1.0 0.02 0.55) = 0.187% HG2 PRO 104 - HN CYS 121 3.030% * 0.1545% (0.25 1.0 0.02 0.02) = 0.155% HG2 PRO 104 - HN VAL 122 3.030% * 0.1054% (0.17 1.0 0.02 0.02) = 0.105% HG3 MET 126 - HN CYS 121 3.030% * 0.0897% (0.14 1.0 0.02 0.02) = 0.090% HG2 PRO 104 - HN GLU- 75 3.030% * 0.0795% (0.13 1.0 0.02 0.02) = 0.080% HA1 GLY 58 - HN CYS 121 3.030% * 0.0613% (0.10 1.0 0.02 0.02) = 0.061% HG3 MET 97 - HN CYS 121 3.030% * 0.0613% (0.10 1.0 0.02 0.02) = 0.061% HG3 MET 126 - HN VAL 122 3.030% * 0.0612% (0.10 1.0 0.02 0.02) = 0.061% HG3 MET 126 - HN GLU- 75 3.030% * 0.0461% (0.07 1.0 0.02 0.02) = 0.046% HA1 GLY 58 - HN VAL 122 3.030% * 0.0418% (0.07 1.0 0.02 0.02) = 0.042% HG3 MET 97 - HN VAL 122 3.030% * 0.0418% (0.07 1.0 0.02 0.02) = 0.042% HG3 MET 97 - HN GLU- 75 3.030% * 0.0316% (0.05 1.0 0.02 0.02) = 0.032% HA1 GLY 58 - HN GLU- 75 3.030% * 0.0316% (0.05 1.0 0.02 0.02) = 0.032% Reference assignment eliminated. Peak 348 (1.18, 8.07, 122.75 ppm): 12 chemical-shift based assignments, quality = 0.415, support = 3.19, residual support = 20.9: HB2 LEU 74 - HN GLU- 75 8.333% * 74.7684% (0.37 4.15 27.89) = 74.768% kept HB2 LEU 74 - HN CYS 121 8.333% * 16.0044% (0.72 0.46 0.02) = 16.004% kept HG3 PRO 59 - HN GLU- 75 8.333% * 2.9473% (0.18 0.34 0.22) = 2.947% kept HB2 LEU 74 - HN VAL 122 8.333% * 2.4271% (0.49 0.10 0.02) = 2.427% kept HB2 LEU 43 - HN GLU- 75 8.333% * 1.1356% (0.27 0.09 0.02) = 1.136% kept QG2 THR 106 - HN CYS 121 8.333% * 0.5857% (0.61 0.02 0.02) = 0.586% HB2 LEU 43 - HN CYS 121 8.333% * 0.5091% (0.53 0.02 0.02) = 0.509% QG2 THR 106 - HN VAL 122 8.333% * 0.3995% (0.41 0.02 0.02) = 0.400% HB2 LEU 43 - HN VAL 122 8.333% * 0.3473% (0.36 0.02 0.02) = 0.347% HG3 PRO 59 - HN CYS 121 8.333% * 0.3413% (0.35 0.02 0.02) = 0.341% QG2 THR 106 - HN GLU- 75 8.333% * 0.3014% (0.31 0.02 0.02) = 0.301% HG3 PRO 59 - HN VAL 122 8.333% * 0.2328% (0.24 0.02 0.02) = 0.233% Peak 349 (2.35, 8.07, 122.75 ppm): 21 chemical-shift based assignments, quality = 0.278, support = 0.54, residual support = 0.343: HG2 PRO 112 - HN GLU- 75 4.762% * 24.6733% (0.30 0.60 0.30) = 24.673% kept HG3 GLU- 50 - HN GLU- 75 4.762% * 22.1517% (0.31 0.52 0.43) = 22.152% kept HB3 GLU- 50 - HN GLU- 75 4.762% * 17.1208% (0.09 1.35 0.43) = 17.121% kept HG3 GLU- 50 - HN CYS 121 4.762% * 6.5631% (0.61 0.08 0.02) = 6.563% kept HB3 PRO 86 - HN VAL 122 4.762% * 4.1774% (0.08 0.40 0.02) = 4.177% kept HB2 TYR 83 - HN GLU- 75 4.762% * 4.1508% (0.13 0.24 2.23) = 4.151% kept HB2 TYR 83 - HN CYS 121 4.762% * 4.0686% (0.25 0.12 0.02) = 4.069% kept HB2 TYR 83 - HN VAL 122 4.762% * 2.8333% (0.17 0.12 0.02) = 2.833% kept HB3 GLU- 50 - HN CYS 121 4.762% * 1.9593% (0.18 0.08 0.02) = 1.959% kept HB2 GLU- 64 - HN CYS 121 4.762% * 1.8632% (0.69 0.02 0.02) = 1.863% kept HG3 GLU- 56 - HN CYS 121 4.762% * 1.6452% (0.61 0.02 0.02) = 1.645% kept HG2 PRO 112 - HN CYS 121 4.762% * 1.5912% (0.59 0.02 0.02) = 1.591% kept HB2 GLU- 64 - HN VAL 122 4.762% * 1.2710% (0.47 0.02 0.02) = 1.271% kept HG3 GLU- 50 - HN VAL 122 4.762% * 1.1223% (0.41 0.02 0.02) = 1.122% kept HG3 GLU- 56 - HN VAL 122 4.762% * 1.1223% (0.41 0.02 0.02) = 1.122% kept * HG2 PRO 112 - HN VAL 122 4.762% * 1.0855% (0.40 0.02 0.02) = 1.085% kept HB2 GLU- 64 - HN GLU- 75 4.762% * 0.9589% (0.35 0.02 0.02) = 0.959% HG3 GLU- 56 - HN GLU- 75 4.762% * 0.8467% (0.31 0.02 0.02) = 0.847% HB3 GLU- 50 - HN VAL 122 4.762% * 0.3350% (0.12 0.02 0.02) = 0.335% HB3 PRO 86 - HN CYS 121 4.762% * 0.3039% (0.11 0.02 0.02) = 0.304% HB3 PRO 86 - HN GLU- 75 4.762% * 0.1564% (0.06 0.02 0.02) = 0.156% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 353 (1.37, 8.21, 122.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 354 (4.36, 8.21, 122.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 355 (4.78, 8.21, 122.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 359 (1.95, 8.07, 122.58 ppm): 45 chemical-shift based assignments, quality = 0.662, support = 1.81, residual support = 20.6: O HB2 GLU- 75 - HN GLU- 75 2.222% * 85.3211% (0.70 10.0 2.00 24.11) = 85.321% kept HB VAL 13 - HN GLU- 75 2.222% * 4.6758% (0.67 1.0 1.13 0.56) = 4.676% kept HB VAL 13 - HN CYS 121 2.222% * 3.9444% (0.74 1.0 0.87 0.14) = 3.944% kept HB VAL 73 - HN GLU- 75 2.222% * 1.3066% (0.26 1.0 0.80 0.02) = 1.307% kept HG2 PRO 112 - HN GLU- 75 2.222% * 1.1276% (0.31 1.0 0.60 0.30) = 1.128% kept HB2 GLU- 75 - HN CYS 121 2.222% * 0.8607% (0.77 1.0 0.18 0.02) = 0.861% HB ILE 29 - HN GLU- 75 2.222% * 0.4185% (0.22 1.0 0.32 0.02) = 0.418% HB VAL 73 - HN CYS 121 2.222% * 0.3274% (0.29 1.0 0.18 0.02) = 0.327% HB2 GLU- 75 - HN VAL 122 2.222% * 0.2040% (0.35 1.0 0.10 0.02) = 0.204% HG3 PRO 31 - HN CYS 121 2.222% * 0.1048% (0.85 1.0 0.02 0.02) = 0.105% HB3 LYS+ 55 - HN CYS 121 2.222% * 0.1041% (0.85 1.0 0.02 0.02) = 0.104% HB2 PRO 35 - HN CYS 121 2.222% * 0.0993% (0.81 1.0 0.02 0.02) = 0.099% HG3 PRO 31 - HN GLU- 75 2.222% * 0.0950% (0.78 1.0 0.02 0.02) = 0.095% HB3 LYS+ 55 - HN GLU- 75 2.222% * 0.0944% (0.77 1.0 0.02 0.02) = 0.094% HG3 PRO 116 - HN CYS 121 2.222% * 0.0942% (0.77 1.0 0.02 0.02) = 0.094% HB2 PRO 35 - HN GLU- 75 2.222% * 0.0901% (0.73 1.0 0.02 0.02) = 0.090% HG3 PRO 116 - HN GLU- 75 2.222% * 0.0854% (0.70 1.0 0.02 0.02) = 0.085% HB3 GLU- 109 - HN CYS 121 2.222% * 0.0803% (0.65 1.0 0.02 0.02) = 0.080% HB VAL 73 - HN VAL 122 2.222% * 0.0776% (0.13 1.0 0.10 0.02) = 0.078% HB3 GLU- 109 - HN GLU- 75 2.222% * 0.0728% (0.59 1.0 0.02 0.02) = 0.073% HB2 GLU- 10 - HN CYS 121 2.222% * 0.0637% (0.52 1.0 0.02 0.02) = 0.064% HB2 PRO 116 - HN CYS 121 2.222% * 0.0637% (0.52 1.0 0.02 0.02) = 0.064% HB2 GLU- 10 - HN GLU- 75 2.222% * 0.0578% (0.47 1.0 0.02 0.02) = 0.058% HB2 PRO 116 - HN GLU- 75 2.222% * 0.0578% (0.47 1.0 0.02 0.02) = 0.058% HG3 PRO 31 - HN VAL 122 2.222% * 0.0471% (0.38 1.0 0.02 0.02) = 0.047% HB3 LYS+ 55 - HN VAL 122 2.222% * 0.0468% (0.38 1.0 0.02 0.02) = 0.047% HB2 PRO 35 - HN VAL 122 2.222% * 0.0446% (0.36 1.0 0.02 0.02) = 0.045% HG3 PRO 116 - HN VAL 122 2.222% * 0.0423% (0.35 1.0 0.02 0.02) = 0.042% HG2 PRO 112 - HN CYS 121 2.222% * 0.0413% (0.34 1.0 0.02 0.02) = 0.041% HB VAL 13 - HN VAL 122 2.222% * 0.0409% (0.33 1.0 0.02 0.02) = 0.041% HB3 GLU- 109 - HN VAL 122 2.222% * 0.0361% (0.29 1.0 0.02 0.02) = 0.036% HB ILE 29 - HN CYS 121 2.222% * 0.0292% (0.24 1.0 0.02 0.02) = 0.029% HG3 PRO 104 - HN CYS 121 2.222% * 0.0292% (0.24 1.0 0.02 0.02) = 0.029% HB2 GLU- 10 - HN VAL 122 2.222% * 0.0286% (0.23 1.0 0.02 0.02) = 0.029% HB2 PRO 116 - HN VAL 122 2.222% * 0.0286% (0.23 1.0 0.02 0.02) = 0.029% HG3 PRO 104 - HN GLU- 75 2.222% * 0.0265% (0.22 1.0 0.02 0.02) = 0.026% HB3 GLU- 56 - HN CYS 121 2.222% * 0.0208% (0.17 1.0 0.02 0.02) = 0.021% HB3 GLU- 56 - HN GLU- 75 2.222% * 0.0188% (0.15 1.0 0.02 0.02) = 0.019% HG2 PRO 112 - HN VAL 122 2.222% * 0.0185% (0.15 1.0 0.02 0.02) = 0.019% HB2 LEU 23 - HN CYS 121 2.222% * 0.0162% (0.13 1.0 0.02 0.02) = 0.016% HB2 LEU 23 - HN GLU- 75 2.222% * 0.0147% (0.12 1.0 0.02 0.02) = 0.015% HB ILE 29 - HN VAL 122 2.222% * 0.0131% (0.11 1.0 0.02 0.45) = 0.013% HG3 PRO 104 - HN VAL 122 2.222% * 0.0131% (0.11 1.0 0.02 0.02) = 0.013% HB3 GLU- 56 - HN VAL 122 2.222% * 0.0093% (0.08 1.0 0.02 0.02) = 0.009% HB2 LEU 23 - HN VAL 122 2.222% * 0.0073% (0.06 1.0 0.02 0.02) = 0.007% Reference assignment not found: HB3 GLU- 75 - HN GLU- 75 Peak 361 (8.08, 8.07, 122.58 ppm): 3 diagonal assignments: HN CYS 121 - HN CYS 121 (0.84) kept * HN GLU- 75 - HN GLU- 75 (0.78) kept HN VAL 122 - HN VAL 122 (0.17) kept Peak 365 (1.78, 8.17, 122.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 366 (1.17, 8.07, 122.54 ppm): 15 chemical-shift based assignments, quality = 0.702, support = 3.29, residual support = 21.7: HB2 LEU 74 - HN GLU- 75 6.667% * 77.6039% (0.71 4.15 27.89) = 77.604% kept HB2 LEU 74 - HN CYS 121 6.667% * 8.5279% (0.71 0.46 0.02) = 8.528% kept HG3 PRO 59 - HN GLU- 75 6.667% * 7.5744% (0.86 0.34 0.22) = 7.574% kept HB2 LEU 43 - HN GLU- 75 6.667% * 2.1192% (0.93 0.09 0.02) = 2.119% kept HB2 LEU 74 - HN VAL 122 6.667% * 1.0373% (0.39 0.10 0.02) = 1.037% kept HB2 LEU 43 - HN CYS 121 6.667% * 0.4878% (0.93 0.02 0.02) = 0.488% QG2 THR 106 - HN GLU- 75 6.667% * 0.4793% (0.91 0.02 0.02) = 0.479% QG2 THR 106 - HN CYS 121 6.667% * 0.4781% (0.91 0.02 0.02) = 0.478% HG3 PRO 59 - HN CYS 121 6.667% * 0.4503% (0.86 0.02 0.02) = 0.450% HB2 LEU 43 - HN VAL 122 6.667% * 0.2669% (0.51 0.02 0.02) = 0.267% QG2 THR 106 - HN VAL 122 6.667% * 0.2616% (0.50 0.02 0.02) = 0.262% HG3 PRO 59 - HN VAL 122 6.667% * 0.2464% (0.47 0.02 0.02) = 0.246% QB ALA 33 - HN GLU- 75 6.667% * 0.1835% (0.35 0.02 0.02) = 0.184% QB ALA 33 - HN CYS 121 6.667% * 0.1831% (0.35 0.02 0.02) = 0.183% QB ALA 33 - HN VAL 122 6.667% * 0.1002% (0.19 0.02 0.02) = 0.100% Peak 367 (3.93, 8.07, 122.54 ppm): 12 chemical-shift based assignments, quality = 0.555, support = 4.17, residual support = 26.4: * O HA LEU 74 - HN GLU- 75 8.333% * 94.6537% (0.57 10.0 4.38 27.89) = 94.654% kept HA LEU 74 - HN CYS 121 8.333% * 3.6166% (0.56 1.0 0.77 0.02) = 3.617% kept HA LEU 74 - HN VAL 122 8.333% * 0.9903% (0.31 1.0 0.38 0.02) = 0.990% HB THR 96 - HN GLU- 75 8.333% * 0.1506% (0.90 1.0 0.02 0.02) = 0.151% HB THR 96 - HN CYS 121 8.333% * 0.1502% (0.90 1.0 0.02 0.02) = 0.150% HB THR 96 - HN VAL 122 8.333% * 0.0822% (0.49 1.0 0.02 0.02) = 0.082% HA1 GLY 114 - HN GLU- 75 8.333% * 0.0760% (0.45 1.0 0.02 0.02) = 0.076% HA1 GLY 114 - HN CYS 121 8.333% * 0.0758% (0.45 1.0 0.02 0.02) = 0.076% HB2 SER 77 - HN GLU- 75 8.333% * 0.0642% (0.38 1.0 0.02 0.02) = 0.064% HB2 SER 77 - HN CYS 121 8.333% * 0.0640% (0.38 1.0 0.02 0.02) = 0.064% HA1 GLY 114 - HN VAL 122 8.333% * 0.0415% (0.25 1.0 0.02 0.02) = 0.041% HB2 SER 77 - HN VAL 122 8.333% * 0.0350% (0.21 1.0 0.02 0.02) = 0.035% Peak 368 (4.42, 8.07, 122.54 ppm): 30 chemical-shift based assignments, quality = 0.658, support = 0.158, residual support = 0.0881: HA HIS+ 14 - HN GLU- 75 3.333% * 18.4248% (0.86 0.22 0.13) = 18.425% kept HA PRO 112 - HN GLU- 75 3.333% * 17.5038% (0.60 0.30 0.30) = 17.504% kept HA HIS+ 14 - HN CYS 121 3.333% * 17.4296% (0.86 0.21 0.02) = 17.430% kept HA PRO 86 - HN CYS 121 3.333% * 7.1277% (0.74 0.10 0.02) = 7.128% kept HA LYS+ 111 - HN GLU- 75 3.333% * 5.8775% (0.64 0.09 0.02) = 5.877% kept HA HIS+ 14 - HN VAL 122 3.333% * 4.9621% (0.47 0.11 0.02) = 4.962% kept HA LYS+ 66 - HN VAL 122 3.333% * 4.8540% (0.51 0.10 0.02) = 4.854% kept HA PRO 86 - HN VAL 122 3.333% * 3.6273% (0.41 0.09 0.02) = 3.627% kept HA LYS+ 66 - HN GLU- 75 3.333% * 1.8124% (0.93 0.02 0.02) = 1.812% kept HA LYS+ 66 - HN CYS 121 3.333% * 1.8078% (0.93 0.02 0.02) = 1.808% kept HA PRO 86 - HN GLU- 75 3.333% * 1.4513% (0.75 0.02 0.02) = 1.451% kept HA PRO 116 - HN GLU- 75 3.333% * 1.3161% (0.68 0.02 0.02) = 1.316% kept HA PRO 116 - HN CYS 121 3.333% * 1.3128% (0.67 0.02 0.02) = 1.313% kept HA LYS+ 111 - HN CYS 121 3.333% * 1.2418% (0.64 0.02 0.02) = 1.242% kept HB THR 24 - HN GLU- 75 3.333% * 1.1725% (0.60 0.02 0.02) = 1.172% kept HA PRO 112 - HN CYS 121 3.333% * 1.1695% (0.60 0.02 0.02) = 1.170% kept HB THR 24 - HN CYS 121 3.333% * 1.1695% (0.60 0.02 0.02) = 1.170% kept HA PRO 104 - HN GLU- 75 3.333% * 0.8126% (0.42 0.02 0.02) = 0.813% HA PRO 104 - HN CYS 121 3.333% * 0.8105% (0.42 0.02 0.02) = 0.811% HA PRO 116 - HN VAL 122 3.333% * 0.7183% (0.37 0.02 0.02) = 0.718% HA LYS+ 111 - HN VAL 122 3.333% * 0.6795% (0.35 0.02 0.02) = 0.680% HA PRO 112 - HN VAL 122 3.333% * 0.6399% (0.33 0.02 0.02) = 0.640% HB THR 24 - HN VAL 122 3.333% * 0.6399% (0.33 0.02 0.02) = 0.640% HA THR 95 - HN GLU- 75 3.333% * 0.6182% (0.32 0.02 0.02) = 0.618% HA THR 95 - HN CYS 121 3.333% * 0.6167% (0.32 0.02 0.02) = 0.617% HA ASN 57 - HN GLU- 75 3.333% * 0.5594% (0.29 0.02 0.02) = 0.559% HA ASN 57 - HN CYS 121 3.333% * 0.5580% (0.29 0.02 0.02) = 0.558% HA PRO 104 - HN VAL 122 3.333% * 0.4435% (0.23 0.02 0.02) = 0.444% HA THR 95 - HN VAL 122 3.333% * 0.3374% (0.17 0.02 0.02) = 0.337% HA ASN 57 - HN VAL 122 3.333% * 0.3053% (0.16 0.02 0.02) = 0.305% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 372 (0.87, 8.07, 122.54 ppm): 24 chemical-shift based assignments, quality = 0.27, support = 1.12, residual support = 0.451: QG2 VAL 40 - HN GLU- 75 4.167% * 42.7874% (0.21 2.11 0.85) = 42.787% kept QG2 VAL 13 - HN GLU- 75 4.167% * 10.6973% (0.14 0.76 0.56) = 10.697% kept QG2 VAL 13 - HN CYS 121 4.167% * 10.2722% (0.14 0.73 0.14) = 10.272% kept QG1 VAL 47 - HN GLU- 75 4.167% * 8.9190% (0.16 0.56 0.02) = 8.919% kept QG2 VAL 125 - HN CYS 121 4.167% * 7.0502% (0.81 0.09 0.02) = 7.050% kept QG2 VAL 125 - HN VAL 122 4.167% * 3.4160% (0.44 0.08 0.02) = 3.416% kept QG2 VAL 13 - HN VAL 122 4.167% * 1.9157% (0.08 0.25 0.02) = 1.916% kept QG2 ILE 100 - HN GLU- 75 4.167% * 1.5820% (0.81 0.02 0.02) = 1.582% kept QG2 VAL 125 - HN GLU- 75 4.167% * 1.5820% (0.81 0.02 0.02) = 1.582% kept QG2 ILE 100 - HN CYS 121 4.167% * 1.5780% (0.81 0.02 0.02) = 1.578% kept QD1 LEU 90 - HN GLU- 75 4.167% * 1.5234% (0.78 0.02 0.39) = 1.523% kept QD1 LEU 90 - HN CYS 121 4.167% * 1.5195% (0.78 0.02 0.02) = 1.520% kept QG2 VAL 87 - HN VAL 122 4.167% * 1.0912% (0.11 0.10 0.02) = 1.091% kept QG1 VAL 80 - HN GLU- 75 4.167% * 0.9596% (0.49 0.02 0.02) = 0.960% QG1 VAL 80 - HN CYS 121 4.167% * 0.9571% (0.49 0.02 0.02) = 0.957% QG2 ILE 100 - HN VAL 122 4.167% * 0.8635% (0.44 0.02 0.02) = 0.863% QD1 LEU 90 - HN VAL 122 4.167% * 0.8315% (0.42 0.02 0.02) = 0.831% QG1 VAL 80 - HN VAL 122 4.167% * 0.5237% (0.27 0.02 0.02) = 0.524% QG2 VAL 87 - HN GLU- 75 4.167% * 0.4060% (0.21 0.02 0.02) = 0.406% QG2 VAL 40 - HN CYS 121 4.167% * 0.4050% (0.21 0.02 0.02) = 0.405% QG2 VAL 87 - HN CYS 121 4.167% * 0.4050% (0.21 0.02 0.02) = 0.405% QG1 VAL 47 - HN CYS 121 4.167% * 0.3186% (0.16 0.02 0.02) = 0.319% QG2 VAL 40 - HN VAL 122 4.167% * 0.2216% (0.11 0.02 0.02) = 0.222% QG1 VAL 47 - HN VAL 122 4.167% * 0.1743% (0.09 0.02 0.02) = 0.174% Peak 376 (1.37, 8.20, 122.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 377 (4.78, 8.20, 122.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 378 (4.36, 8.20, 122.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 379 (8.70, 8.71, 122.58 ppm): 1 diagonal assignment: * HN VAL 40 - HN VAL 40 (0.86) kept Peak 380 (2.47, 8.71, 122.58 ppm): 5 chemical-shift based assignments, quality = 0.518, support = 3.51, residual support = 42.9: * O HB VAL 40 - HN VAL 40 20.000% * 99.5997% (0.52 10.0 3.52 43.10) = 99.600% kept HG3 GLU- 45 - HN VAL 40 20.000% * 0.1581% (0.83 1.0 0.02 0.02) = 0.158% HG2 PRO 112 - HN VAL 40 20.000% * 0.0865% (0.45 1.0 0.02 0.02) = 0.087% HG3 MET 118 - HN VAL 40 20.000% * 0.0778% (0.41 1.0 0.02 0.02) = 0.078% HG3 PRO 35 - HN VAL 40 20.000% * 0.0778% (0.41 1.0 0.02 0.02) = 0.078% Peak 381 (0.88, 8.71, 122.58 ppm): 9 chemical-shift based assignments, quality = 0.499, support = 2.84, residual support = 29.8: * QG2 VAL 40 - HN VAL 40 11.111% * 69.1909% (0.44 3.92 43.10) = 69.191% kept QG1 VAL 80 - HN VAL 40 11.111% * 16.8751% (0.79 0.54 0.12) = 16.875% kept QG2 ILE 100 - HN VAL 40 11.111% * 7.6201% (0.60 0.32 0.02) = 7.620% kept QD1 LEU 67 - HN VAL 40 11.111% * 3.3085% (0.31 0.27 0.02) = 3.309% kept HG3 LYS+ 117 - HN VAL 40 11.111% * 1.1276% (0.25 0.12 0.02) = 1.128% kept QG2 VAL 125 - HN VAL 40 11.111% * 0.7847% (0.99 0.02 0.02) = 0.785% QD1 LEU 90 - HN VAL 40 11.111% * 0.4452% (0.56 0.02 0.02) = 0.445% QG2 VAL 87 - HN VAL 40 11.111% * 0.3526% (0.44 0.02 0.02) = 0.353% QG1 VAL 47 - HN VAL 40 11.111% * 0.2952% (0.37 0.02 0.02) = 0.295% Peak 382 (4.73, 8.71, 122.58 ppm): 6 chemical-shift based assignments, quality = 0.556, support = 1.25, residual support = 2.93: * O HA THR 39 - HN VAL 40 16.667% * 99.3187% (0.56 10.0 1.25 2.95) = 99.319% kept HA LYS+ 20 - HN VAL 40 16.667% * 0.2583% (0.91 1.0 0.02 0.02) = 0.258% HA2 GLY 30 - HN VAL 40 16.667% * 0.1810% (0.64 1.0 0.02 0.02) = 0.181% HA THR 61 - HN VAL 40 16.667% * 0.1151% (0.41 1.0 0.02 0.02) = 0.115% HA VAL 99 - HN VAL 40 16.667% * 0.0778% (0.27 1.0 0.02 0.02) = 0.078% HA GLN 16 - HN VAL 40 16.667% * 0.0490% (0.17 1.0 0.02 0.22) = 0.049% Peak 383 (3.43, 8.71, 122.58 ppm): 4 chemical-shift based assignments, quality = 0.193, support = 4.13, residual support = 41.4: * O HA VAL 40 - HN VAL 40 25.000% * 95.9593% (0.20 10.0 4.28 43.10) = 95.959% kept HA VAL 80 - HN VAL 40 25.000% * 3.2989% (0.17 1.0 0.78 0.12) = 3.299% kept HA ILE 48 - HN VAL 40 25.000% * 0.4476% (0.91 1.0 0.02 0.02) = 0.448% HA VAL 62 - HN VAL 40 25.000% * 0.2941% (0.60 1.0 0.02 0.02) = 0.294% Peak 384 (8.16, 8.71, 122.58 ppm): 4 chemical-shift based assignments, quality = 0.974, support = 3.97, residual support = 23.3: * T HN SER 41 - HN VAL 40 25.000% * 94.9938% (0.99 10.00 4.13 24.52) = 94.994% kept HN GLN 16 - HN VAL 40 25.000% * 4.1893% (0.83 1.00 1.06 0.22) = 4.189% kept HN ALA 33 - HN VAL 40 25.000% * 0.4660% (0.15 1.00 0.64 0.38) = 0.466% HN SER 77 - HN VAL 40 25.000% * 0.3509% (0.68 1.00 0.11 0.30) = 0.351% Peak 385 (0.71, 8.71, 122.58 ppm): 14 chemical-shift based assignments, quality = 0.615, support = 3.08, residual support = 29.0: * QG1 VAL 40 - HN VAL 40 7.143% * 67.0003% (0.52 4.35 43.10) = 67.000% kept QG2 ILE 101 - HN VAL 40 7.143% * 17.5433% (0.90 0.66 0.59) = 17.543% kept QG2 THR 96 - HN VAL 40 7.143% * 12.1730% (0.89 0.46 0.02) = 12.173% kept QD1 ILE 19 - HN VAL 40 7.143% * 0.6810% (0.27 0.08 0.02) = 0.681% HG LEU 74 - HN VAL 40 7.143% * 0.5408% (0.91 0.02 11.48) = 0.541% QG2 ILE 48 - HN VAL 40 7.143% * 0.5015% (0.85 0.02 0.02) = 0.501% QG1 VAL 65 - HN VAL 40 7.143% * 0.4254% (0.72 0.02 0.02) = 0.425% QD1 ILE 68 - HN VAL 40 7.143% * 0.2852% (0.48 0.02 0.02) = 0.285% QG2 VAL 65 - HN VAL 40 7.143% * 0.2409% (0.41 0.02 0.02) = 0.241% QG2 VAL 94 - HN VAL 40 7.143% * 0.1304% (0.22 0.02 0.02) = 0.130% QG2 ILE 68 - HN VAL 40 7.143% * 0.1304% (0.22 0.02 0.02) = 0.130% HG12 ILE 19 - HN VAL 40 7.143% * 0.1159% (0.20 0.02 0.02) = 0.116% HG3 LYS+ 44 - HN VAL 40 7.143% * 0.1159% (0.20 0.02 0.30) = 0.116% HG3 LYS+ 66 - HN VAL 40 7.143% * 0.1159% (0.20 0.02 0.02) = 0.116% Peak 386 (4.95, 8.71, 122.58 ppm): 4 chemical-shift based assignments, quality = 0.913, support = 0.277, residual support = 0.441: HA ILE 101 - HN VAL 40 25.000% * 72.0329% (0.95 0.35 0.59) = 72.033% kept HA HIS+ 98 - HN VAL 40 25.000% * 18.8009% (0.95 0.09 0.02) = 18.801% kept HA MET 97 - HN VAL 40 25.000% * 5.6345% (0.31 0.09 0.02) = 5.635% kept HA ALA 33 - HN VAL 40 25.000% * 3.5317% (0.83 0.02 0.38) = 3.532% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 387 (8.25, 8.27, 122.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 388 (4.83, 8.27, 122.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 389 (4.74, 8.27, 122.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 391 (2.23, 8.43, 122.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 392 (1.55, 8.43, 122.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 393 (2.02, 8.43, 122.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 394 (1.40, 8.43, 122.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 395 (1.89, 8.43, 122.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 396 (0.82, 8.43, 122.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 400 (1.75, 8.48, 122.19 ppm): 9 chemical-shift based assignments, quality = 0.743, support = 0.385, residual support = 0.272: HD3 PRO 59 - HN LYS+ 113 11.111% * 38.3982% (0.88 0.47 0.02) = 38.398% kept HB3 LEU 23 - HN LYS+ 113 11.111% * 32.5138% (0.71 0.49 0.80) = 32.514% kept HB3 GLU- 18 - HN LYS+ 113 11.111% * 9.6656% (0.40 0.26 0.02) = 9.666% kept HB2 LEU 17 - HN LYS+ 113 11.111% * 9.2188% (0.88 0.11 0.02) = 9.219% kept HB ILE 48 - HN LYS+ 113 11.111% * 7.1544% (0.58 0.13 0.02) = 7.154% kept HB2 LYS+ 117 - HN LYS+ 113 11.111% * 1.3809% (0.74 0.02 0.02) = 1.381% kept HG2 ARG+ 84 - HN LYS+ 113 11.111% * 0.6797% (0.37 0.02 0.02) = 0.680% HB2 ARG+ 84 - HN LYS+ 113 11.111% * 0.6205% (0.33 0.02 0.02) = 0.620% HG3 ARG+ 53 - HN LYS+ 113 11.111% * 0.3681% (0.20 0.02 0.02) = 0.368% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 401 (4.40, 8.48, 122.19 ppm): 14 chemical-shift based assignments, quality = 0.81, support = 1.24, residual support = 3.8: * O HA PRO 112 - HN LYS+ 113 7.143% * 97.7025% (0.82 10.0 1.27 3.89) = 97.702% kept HA HIS+ 14 - HN LYS+ 113 7.143% * 1.0672% (0.58 1.0 0.20 0.02) = 1.067% kept HA PRO 104 - HN LYS+ 113 7.143% * 0.1665% (0.89 1.0 0.02 0.02) = 0.167% HA THR 95 - HN LYS+ 113 7.143% * 0.1654% (0.88 1.0 0.02 0.02) = 0.165% HA ASN 57 - HN LYS+ 113 7.143% * 0.1636% (0.87 1.0 0.02 0.02) = 0.164% HA PRO 116 - HN LYS+ 113 7.143% * 0.1448% (0.77 1.0 0.02 0.02) = 0.145% HA PRO 86 - HN LYS+ 113 7.143% * 0.1336% (0.71 1.0 0.02 0.02) = 0.134% HA SER 88 - HN LYS+ 113 7.143% * 0.1146% (0.61 1.0 0.02 0.02) = 0.115% HA ALA 91 - HN LYS+ 113 7.143% * 0.0945% (0.50 1.0 0.02 0.02) = 0.094% HA LYS+ 66 - HN LYS+ 113 7.143% * 0.0686% (0.37 1.0 0.02 0.02) = 0.069% HA SER 27 - HN LYS+ 113 7.143% * 0.0569% (0.30 1.0 0.02 0.02) = 0.057% HA ALA 37 - HN LYS+ 113 7.143% * 0.0515% (0.28 1.0 0.02 0.02) = 0.052% HA LYS+ 60 - HN LYS+ 113 7.143% * 0.0372% (0.20 1.0 0.02 0.02) = 0.037% HA TRP 51 - HN LYS+ 113 7.143% * 0.0330% (0.18 1.0 0.02 0.13) = 0.033% Peak 402 (2.27, 8.48, 122.19 ppm): 12 chemical-shift based assignments, quality = 0.831, support = 2.71, residual support = 3.8: * O HB3 PRO 112 - HN LYS+ 113 8.333% * 82.4228% (0.83 10.0 2.61 3.89) = 82.423% kept HG2 PRO 112 - HN LYS+ 113 8.333% * 15.3489% (0.87 1.0 3.55 3.89) = 15.349% kept HG3 GLU- 75 - HN LYS+ 113 8.333% * 1.7900% (0.88 1.0 0.41 0.02) = 1.790% kept HB VAL 80 - HN LYS+ 113 8.333% * 0.0888% (0.89 1.0 0.02 0.02) = 0.089% HB3 LYS+ 117 - HN LYS+ 113 8.333% * 0.0880% (0.88 1.0 0.02 0.02) = 0.088% HG3 GLU- 54 - HN LYS+ 113 8.333% * 0.0742% (0.74 1.0 0.02 0.02) = 0.074% HG3 GLU- 107 - HN LYS+ 113 8.333% * 0.0679% (0.68 1.0 0.02 0.02) = 0.068% HB2 LYS+ 44 - HN LYS+ 113 8.333% * 0.0467% (0.47 1.0 0.02 0.02) = 0.047% HB3 ASN 15 - HN LYS+ 113 8.333% * 0.0274% (0.28 1.0 0.02 0.97) = 0.027% HG3 GLU- 10 - HN LYS+ 113 8.333% * 0.0176% (0.18 1.0 0.02 0.02) = 0.018% HG3 GLN 16 - HN LYS+ 113 8.333% * 0.0156% (0.16 1.0 0.02 0.02) = 0.016% HB3 GLU- 45 - HN LYS+ 113 8.333% * 0.0120% (0.12 1.0 0.02 0.02) = 0.012% Peak 404 (4.79, 8.45, 122.40 ppm): 4 chemical-shift based assignments, quality = 0.208, support = 0.632, residual support = 0.713: HA LEU 23 - HN LYS+ 113 25.000% * 57.1707% (0.24 0.77 0.80) = 57.171% kept HA ASN 15 - HN LYS+ 113 25.000% * 26.2312% (0.19 0.46 0.97) = 26.231% kept HA GLU- 18 - HN LYS+ 113 25.000% * 15.9336% (0.12 0.44 0.02) = 15.934% kept HB THR 39 - HN LYS+ 113 25.000% * 0.6645% (0.11 0.02 0.02) = 0.665% Peak 407 (4.30, 8.45, 122.40 ppm): 13 chemical-shift based assignments, quality = 0.193, support = 0.0432, residual support = 0.02: HA ILE 29 - HN LYS+ 113 7.692% * 29.2248% (0.21 0.08 0.02) = 29.225% kept HA ASP- 36 - HN LYS+ 113 7.692% * 10.1635% (0.29 0.02 0.02) = 10.164% kept HA CYS 121 - HN LYS+ 113 7.692% * 9.1352% (0.26 0.02 0.02) = 9.135% kept HA THR 106 - HN LYS+ 113 7.692% * 8.8357% (0.25 0.02 0.02) = 8.836% kept HB3 CYS 121 - HN LYS+ 113 7.692% * 7.7845% (0.22 0.02 0.02) = 7.785% kept HA GLU- 56 - HN LYS+ 113 7.692% * 7.1317% (0.04 0.10 0.02) = 7.132% kept HA LEU 90 - HN LYS+ 113 7.692% * 5.7669% (0.17 0.02 0.02) = 5.767% kept HA ALA 93 - HN LYS+ 113 7.692% * 5.3591% (0.15 0.02 0.02) = 5.359% kept HA VAL 122 - HN LYS+ 113 7.692% * 4.9581% (0.14 0.02 0.02) = 4.958% kept HA VAL 94 - HN LYS+ 113 7.692% * 3.1439% (0.09 0.02 0.02) = 3.144% kept HA PRO 52 - HN LYS+ 113 7.692% * 2.8321% (0.08 0.02 0.02) = 2.832% kept HA SER 85 - HN LYS+ 113 7.692% * 2.8321% (0.08 0.02 0.02) = 2.832% kept HA ARG+ 84 - HN LYS+ 113 7.692% * 2.8321% (0.08 0.02 0.02) = 2.832% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 408 (4.25, 8.43, 122.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 409 (8.42, 8.43, 122.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 412 (7.81, 7.81, 122.18 ppm): 1 diagonal assignment: * HN LYS+ 55 - HN LYS+ 55 (0.99) kept Peak 413 (1.76, 7.81, 122.18 ppm): 11 chemical-shift based assignments, quality = 0.682, support = 0.766, residual support = 0.0834: HB2 LEU 17 - HN LYS+ 55 9.091% * 22.0185% (0.94 0.67 0.02) = 22.018% kept HG3 ARG+ 53 - HN LYS+ 55 9.091% * 20.1051% (0.31 1.87 0.34) = 20.105% kept HD3 PRO 59 - HN LYS+ 55 9.091% * 16.7094% (0.99 0.48 0.02) = 16.709% kept HB3 LEU 23 - HN LYS+ 55 9.091% * 11.1004% (0.68 0.46 0.02) = 11.100% kept HB2 LYS+ 117 - HN LYS+ 55 9.091% * 10.3953% (0.72 0.41 0.02) = 10.395% kept HG2 ARG+ 84 - HN LYS+ 55 9.091% * 8.8465% (0.52 0.48 0.02) = 8.846% kept HB3 GLU- 18 - HN LYS+ 55 9.091% * 4.9966% (0.56 0.25 0.02) = 4.997% kept HB2 ARG+ 84 - HN LYS+ 55 9.091% * 4.0337% (0.48 0.24 0.02) = 4.034% kept HG2 PRO 31 - HN LYS+ 55 9.091% * 1.2901% (0.17 0.21 0.02) = 1.290% kept HB ILE 48 - HN LYS+ 55 9.091% * 0.3664% (0.52 0.02 0.02) = 0.366% HG3 LYS+ 63 - HN LYS+ 55 9.091% * 0.1378% (0.20 0.02 0.72) = 0.138% Reference assignment not found: HB3 LYS+ 55 - HN LYS+ 55 Peak 414 (9.07, 7.81, 122.18 ppm): 2 chemical-shift based assignments, quality = 0.959, support = 3.02, residual support = 12.2: * T HN GLU- 54 - HN LYS+ 55 50.000% * 99.9072% (0.96 10.00 3.02 12.25) = 99.907% kept HN LYS+ 66 - HN LYS+ 55 50.000% * 0.0928% (0.89 1.00 0.02 0.02) = 0.093% Peak 415 (1.93, 7.81, 122.18 ppm): 15 chemical-shift based assignments, quality = 0.581, support = 3.88, residual support = 12.9: O HB3 LYS+ 55 - HN LYS+ 55 6.667% * 90.1649% (0.60 10.0 4.24 14.29) = 90.165% kept HG2 PRO 112 - HN LYS+ 55 6.667% * 2.9731% (0.35 1.0 1.15 0.68) = 2.973% kept HB2 PRO 112 - HN LYS+ 55 6.667% * 1.9882% (0.39 1.0 0.68 0.68) = 1.988% kept HB2 LEU 23 - HN LYS+ 55 6.667% * 1.8357% (0.72 1.0 0.34 0.02) = 1.836% kept HD3 LYS+ 63 - HN LYS+ 55 6.667% * 1.2586% (0.45 1.0 0.38 0.72) = 1.259% kept HG3 PRO 31 - HN LYS+ 55 6.667% * 0.8902% (0.56 1.0 0.21 0.02) = 0.890% HB3 GLN 102 - HN LYS+ 55 6.667% * 0.1872% (0.28 1.0 0.09 0.02) = 0.187% HB2 GLU- 10 - HN LYS+ 55 6.667% * 0.1473% (0.99 1.0 0.02 0.02) = 0.147% HB2 PRO 116 - HN LYS+ 55 6.667% * 0.1473% (0.99 1.0 0.02 0.02) = 0.147% HB ILE 29 - HN LYS+ 55 6.667% * 0.1333% (0.89 1.0 0.02 0.02) = 0.133% HB2 GLU- 75 - HN LYS+ 55 6.667% * 0.1190% (0.80 1.0 0.02 0.02) = 0.119% HB2 PRO 35 - HN LYS+ 55 6.667% * 0.0507% (0.34 1.0 0.02 0.02) = 0.051% HG3 PRO 116 - HN LYS+ 55 6.667% * 0.0413% (0.28 1.0 0.02 0.02) = 0.041% HB VAL 13 - HN LYS+ 55 6.667% * 0.0371% (0.25 1.0 0.02 0.02) = 0.037% HB3 GLU- 109 - HN LYS+ 55 6.667% * 0.0260% (0.17 1.0 0.02 0.02) = 0.026% Peak 416 (4.50, 7.81, 122.18 ppm): 7 chemical-shift based assignments, quality = 0.907, support = 4.16, residual support = 14.0: * O HA LYS+ 55 - HN LYS+ 55 14.286% * 97.9543% (0.92 10.0 4.24 14.29) = 97.954% kept HB THR 46 - HN LYS+ 55 14.286% * 1.0804% (0.64 1.0 0.31 0.02) = 1.080% kept HA LYS+ 32 - HN LYS+ 55 14.286% * 0.6709% (0.31 1.0 0.41 1.22) = 0.671% HB THR 79 - HN LYS+ 55 14.286% * 0.1059% (0.99 1.0 0.02 0.02) = 0.106% HA CYS 123 - HN LYS+ 55 14.286% * 0.0850% (0.80 1.0 0.02 0.02) = 0.085% HA SER 77 - HN LYS+ 55 14.286% * 0.0850% (0.80 1.0 0.02 0.02) = 0.085% HA MET 126 - HN LYS+ 55 14.286% * 0.0186% (0.17 1.0 0.02 0.02) = 0.019% Peak 417 (4.23, 7.81, 122.18 ppm): 14 chemical-shift based assignments, quality = 0.877, support = 2.96, residual support = 12.0: * O HA GLU- 54 - HN LYS+ 55 7.143% * 98.2576% (0.89 10.0 3.01 12.25) = 98.258% kept HA PRO 59 - HN LYS+ 55 7.143% * 0.9200% (0.64 1.0 0.26 0.02) = 0.920% HA SER 49 - HN LYS+ 55 7.143% * 0.1096% (1.00 1.0 0.02 0.02) = 0.110% HA ALA 42 - HN LYS+ 55 7.143% * 0.1086% (0.99 1.0 0.02 0.02) = 0.109% HA GLU- 109 - HN LYS+ 55 7.143% * 0.1036% (0.94 1.0 0.02 0.02) = 0.104% HA GLU- 10 - HN LYS+ 55 7.143% * 0.0983% (0.89 1.0 0.02 0.02) = 0.098% HA LYS+ 108 - HN LYS+ 55 7.143% * 0.0983% (0.89 1.0 0.02 0.02) = 0.098% HA GLU- 12 - HN LYS+ 55 7.143% * 0.0753% (0.68 1.0 0.02 0.02) = 0.075% HB3 SER 49 - HN LYS+ 55 7.143% * 0.0514% (0.47 1.0 0.02 0.02) = 0.051% HA ALA 11 - HN LYS+ 55 7.143% * 0.0450% (0.41 1.0 0.02 0.02) = 0.045% HA ASN 76 - HN LYS+ 55 7.143% * 0.0374% (0.34 1.0 0.02 0.02) = 0.037% HA ASN 119 - HN LYS+ 55 7.143% * 0.0338% (0.31 1.0 0.02 0.02) = 0.034% HA GLU- 107 - HN LYS+ 55 7.143% * 0.0338% (0.31 1.0 0.02 0.02) = 0.034% HA ASP- 82 - HN LYS+ 55 7.143% * 0.0273% (0.25 1.0 0.02 0.12) = 0.027% Peak 418 (2.19, 7.81, 122.18 ppm): 12 chemical-shift based assignments, quality = 0.841, support = 0.905, residual support = 0.462: HG2 PRO 112 - HN LYS+ 55 8.333% * 63.4535% (0.98 1.15 0.68) = 63.454% kept HB2 ASP- 82 - HN LYS+ 55 8.333% * 24.5812% (0.68 0.64 0.12) = 24.581% kept HA1 GLY 58 - HN LYS+ 55 8.333% * 4.3785% (0.22 0.35 0.02) = 4.379% kept HG2 GLN 102 - HN LYS+ 55 8.333% * 3.2785% (0.64 0.09 0.02) = 3.279% kept HG2 MET 126 - HN LYS+ 55 8.333% * 1.0327% (0.92 0.02 0.02) = 1.033% kept HB VAL 99 - HN LYS+ 55 8.333% * 1.0033% (0.89 0.02 0.02) = 1.003% kept HB3 PRO 104 - HN LYS+ 55 8.333% * 0.9704% (0.86 0.02 0.02) = 0.970% HG3 MET 126 - HN LYS+ 55 8.333% * 0.3453% (0.31 0.02 0.02) = 0.345% HB3 GLU- 75 - HN LYS+ 55 8.333% * 0.2857% (0.25 0.02 0.02) = 0.286% HG3 MET 97 - HN LYS+ 55 8.333% * 0.2491% (0.22 0.02 0.02) = 0.249% HG2 PRO 104 - HN LYS+ 55 8.333% * 0.2491% (0.22 0.02 0.02) = 0.249% HB2 GLU- 50 - HN LYS+ 55 8.333% * 0.1726% (0.15 0.02 0.02) = 0.173% Reference assignment not found: HB2 PRO 52 - HN LYS+ 55 Peak 419 (1.28, 7.81, 122.18 ppm): 6 chemical-shift based assignments, quality = 0.772, support = 3.92, residual support = 12.9: O HB2 LYS+ 55 - HN LYS+ 55 16.667% * 90.1777% (0.76 10.0 4.24 14.29) = 90.178% kept HG13 ILE 101 - HN LYS+ 55 16.667% * 6.6482% (0.99 1.0 1.13 0.02) = 6.648% kept HG2 LYS+ 32 - HN LYS+ 55 16.667% * 2.8986% (0.68 1.0 0.72 1.22) = 2.899% kept HG2 LYS+ 81 - HN LYS+ 55 16.667% * 0.1157% (0.98 1.0 0.02 0.02) = 0.116% HB3 LEU 74 - HN LYS+ 55 16.667% * 0.1024% (0.86 1.0 0.02 0.02) = 0.102% QB ALA 103 - HN LYS+ 55 16.667% * 0.0574% (0.48 1.0 0.02 0.02) = 0.057% Peak 420 (1.60, 7.81, 122.18 ppm): 11 chemical-shift based assignments, quality = 0.864, support = 1.58, residual support = 1.71: HB3 PRO 52 - HN LYS+ 55 9.091% * 45.2586% (0.92 1.93 2.54) = 45.259% kept HD3 LYS+ 32 - HN LYS+ 55 9.091% * 38.4083% (0.99 1.53 1.22) = 38.408% kept HB3 LYS+ 32 - HN LYS+ 55 9.091% * 7.3602% (0.76 0.38 1.22) = 7.360% kept HG12 ILE 101 - HN LYS+ 55 9.091% * 6.9281% (0.20 1.38 0.02) = 6.928% kept HG LEU 23 - HN LYS+ 55 9.091% * 0.9926% (0.15 0.25 0.02) = 0.993% HG2 LYS+ 110 - HN LYS+ 55 9.091% * 0.4068% (0.80 0.02 0.02) = 0.407% HG3 LYS+ 78 - HN LYS+ 55 9.091% * 0.2278% (0.45 0.02 0.02) = 0.228% HG LEU 43 - HN LYS+ 55 9.091% * 0.1131% (0.22 0.02 0.02) = 0.113% HB VAL 122 - HN LYS+ 55 9.091% * 0.1131% (0.22 0.02 0.02) = 0.113% HB ILE 68 - HN LYS+ 55 9.091% * 0.1131% (0.22 0.02 0.02) = 0.113% HB ILE 19 - HN LYS+ 55 9.091% * 0.0784% (0.15 0.02 0.02) = 0.078% Peak 421 (8.59, 8.60, 122.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 422 (8.44, 8.60, 122.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 423 (3.93, 8.07, 122.17 ppm): 4 chemical-shift based assignments, quality = 0.216, support = 4.37, residual support = 27.8: O HA LEU 74 - HN GLU- 75 25.000% * 99.7342% (0.22 10.0 4.38 27.89) = 99.734% kept HB THR 96 - HN GLU- 75 25.000% * 0.1340% (0.29 1.0 0.02 0.02) = 0.134% HA1 GLY 114 - HN GLU- 75 25.000% * 0.0822% (0.18 1.0 0.02 0.02) = 0.082% HB2 SER 77 - HN GLU- 75 25.000% * 0.0495% (0.11 1.0 0.02 0.02) = 0.050% Peak 424 (1.95, 8.07, 122.17 ppm): 14 chemical-shift based assignments, quality = 0.257, support = 1.89, residual support = 21.8: O HB2 GLU- 75 - HN GLU- 75 7.143% * 90.1999% (0.26 10.0 2.00 24.11) = 90.200% kept HB VAL 13 - HN GLU- 75 7.143% * 5.6482% (0.29 1.0 1.13 0.56) = 5.648% kept HB VAL 73 - HN GLU- 75 7.143% * 1.7875% (0.13 1.0 0.80 0.02) = 1.787% kept HG2 PRO 112 - HN GLU- 75 7.143% * 1.2976% (0.13 1.0 0.60 0.30) = 1.298% kept HB ILE 29 - HN GLU- 75 7.143% * 0.3803% (0.07 1.0 0.32 0.02) = 0.380% HG3 PRO 31 - HN GLU- 75 7.143% * 0.1060% (0.31 1.0 0.02 0.02) = 0.106% HB2 PRO 35 - HN GLU- 75 7.143% * 0.1060% (0.31 1.0 0.02 0.02) = 0.106% HB3 LYS+ 55 - HN GLU- 75 7.143% * 0.1043% (0.30 1.0 0.02 0.02) = 0.104% HG3 PRO 116 - HN GLU- 75 7.143% * 0.1023% (0.30 1.0 0.02 0.02) = 0.102% HB3 GLU- 109 - HN GLU- 75 7.143% * 0.0903% (0.26 1.0 0.02 0.02) = 0.090% HB2 PRO 116 - HN GLU- 75 7.143% * 0.0569% (0.17 1.0 0.02 0.02) = 0.057% HB2 GLU- 10 - HN GLU- 75 7.143% * 0.0569% (0.17 1.0 0.02 0.02) = 0.057% HG3 PRO 104 - HN GLU- 75 7.143% * 0.0369% (0.11 1.0 0.02 0.02) = 0.037% HB3 GLU- 56 - HN GLU- 75 7.143% * 0.0270% (0.08 1.0 0.02 0.02) = 0.027% Peak 425 (4.42, 8.07, 122.17 ppm): 10 chemical-shift based assignments, quality = 0.24, support = 0.202, residual support = 0.161: HA HIS+ 14 - HN GLU- 75 10.000% * 37.1853% (0.29 0.22 0.13) = 37.185% kept HA PRO 112 - HN GLU- 75 10.000% * 35.3265% (0.20 0.30 0.30) = 35.327% kept HA LYS+ 111 - HN GLU- 75 10.000% * 11.8620% (0.22 0.09 0.02) = 11.862% kept HA LYS+ 66 - HN GLU- 75 10.000% * 3.6579% (0.31 0.02 0.02) = 3.658% kept HA PRO 86 - HN GLU- 75 10.000% * 2.9290% (0.25 0.02 0.02) = 2.929% kept HA PRO 116 - HN GLU- 75 10.000% * 2.6562% (0.23 0.02 0.02) = 2.656% kept HB THR 24 - HN GLU- 75 10.000% * 2.3663% (0.20 0.02 0.02) = 2.366% kept HA PRO 104 - HN GLU- 75 10.000% * 1.6400% (0.14 0.02 0.02) = 1.640% kept HA THR 95 - HN GLU- 75 10.000% * 1.2477% (0.11 0.02 0.02) = 1.248% kept HA ASN 57 - HN GLU- 75 10.000% * 1.1290% (0.10 0.02 0.02) = 1.129% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 426 (1.57, 8.07, 122.17 ppm): 10 chemical-shift based assignments, quality = 0.279, support = 0.199, residual support = 0.0455: HG12 ILE 29 - HN GLU- 75 10.000% * 55.2384% (0.27 0.32 0.02) = 55.238% kept HD3 LYS+ 81 - HN GLU- 75 10.000% * 19.7532% (0.31 0.10 0.02) = 19.753% kept HD3 LYS+ 60 - HN GLU- 75 10.000% * 4.0212% (0.31 0.02 0.18) = 4.021% kept HG LEU 17 - HN GLU- 75 10.000% * 3.9503% (0.31 0.02 0.20) = 3.950% kept HB ILE 19 - HN GLU- 75 10.000% * 3.8893% (0.30 0.02 0.02) = 3.889% kept QB ALA 42 - HN GLU- 75 10.000% * 3.4958% (0.27 0.02 0.02) = 3.496% kept HB3 LEU 90 - HN GLU- 75 10.000% * 3.2271% (0.25 0.02 0.39) = 3.227% kept HG13 ILE 29 - HN GLU- 75 10.000% * 2.7683% (0.22 0.02 0.02) = 2.768% kept QG2 THR 24 - HN GLU- 75 10.000% * 2.2817% (0.18 0.02 0.02) = 2.282% kept HB3 LYS+ 32 - HN GLU- 75 10.000% * 1.3747% (0.11 0.02 0.02) = 1.375% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 427 (2.35, 8.07, 122.17 ppm): 7 chemical-shift based assignments, quality = 0.205, support = 0.723, residual support = 0.482: HG2 PRO 112 - HN GLU- 75 14.286% * 35.2181% (0.25 0.60 0.30) = 35.218% kept HG3 GLU- 50 - HN GLU- 75 14.286% * 31.6188% (0.26 0.52 0.43) = 31.619% kept HB3 GLU- 50 - HN GLU- 75 14.286% * 24.4377% (0.08 1.35 0.43) = 24.438% kept HB2 TYR 83 - HN GLU- 75 14.286% * 5.9248% (0.11 0.24 2.23) = 5.925% kept HB2 GLU- 64 - HN GLU- 75 14.286% * 1.3688% (0.30 0.02 0.02) = 1.369% kept HG3 GLU- 56 - HN GLU- 75 14.286% * 1.2086% (0.26 0.02 0.02) = 1.209% kept HB3 PRO 86 - HN GLU- 75 14.286% * 0.2233% (0.05 0.02 0.02) = 0.223% Peak 428 (8.08, 8.07, 122.17 ppm): 1 diagonal assignment: HN GLU- 75 - HN GLU- 75 (0.31) kept Peak 429 (0.87, 8.07, 122.17 ppm): 6 chemical-shift based assignments, quality = 0.135, support = 0.62, residual support = 0.477: QG2 VAL 13 - HN GLU- 75 16.667% * 81.0698% (0.11 0.76 0.56) = 81.070% kept QG2 ILE 100 - HN GLU- 75 16.667% * 6.2383% (0.31 0.02 0.02) = 6.238% kept QD1 LEU 90 - HN GLU- 75 16.667% * 6.1968% (0.31 0.02 0.39) = 6.197% kept QG2 VAL 125 - HN GLU- 75 16.667% * 3.7921% (0.19 0.02 0.02) = 3.792% kept QG1 VAL 80 - HN GLU- 75 16.667% * 1.7383% (0.09 0.02 0.02) = 1.738% kept HG2 LYS+ 117 - HN GLU- 75 16.667% * 0.9647% (0.05 0.02 0.02) = 0.965% Not enough quality. Peak unassigned. Peak 430 (1.16, 8.07, 122.17 ppm): 6 chemical-shift based assignments, quality = 0.186, support = 3.49, residual support = 23.2: HB2 LEU 74 - HN GLU- 75 16.667% * 83.0006% (0.17 4.15 27.89) = 83.001% kept HG3 PRO 59 - HN GLU- 75 16.667% * 12.7475% (0.31 0.34 0.22) = 12.747% kept HB2 LEU 43 - HN GLU- 75 16.667% * 3.0392% (0.29 0.09 0.02) = 3.039% kept QG2 THR 106 - HN GLU- 75 16.667% * 0.6346% (0.26 0.02 0.02) = 0.635% QB ALA 33 - HN GLU- 75 16.667% * 0.4608% (0.19 0.02 0.02) = 0.461% HG3 LYS+ 32 - HN GLU- 75 16.667% * 0.1172% (0.05 0.02 0.02) = 0.117% Peak 432 (0.10, 7.32, 122.31 ppm): 1 chemical-shift based assignment, quality = 0.565, support = 4.94, residual support = 78.9: * QG2 VAL 47 - HN VAL 47 100.000% *100.0000% (0.57 4.94 78.85) = 100.000% kept Peak 433 (2.14, 7.32, 122.31 ppm): 11 chemical-shift based assignments, quality = 0.703, support = 4.77, residual support = 64.9: * O HB VAL 47 - HN VAL 47 9.091% * 82.2934% (0.69 10.0 5.39 78.85) = 82.293% kept HG2 GLU- 45 - HN VAL 47 9.091% * 11.5484% (0.76 1.0 2.52 0.19) = 11.548% kept HG2 PRO 112 - HN VAL 47 9.091% * 4.1061% (0.92 1.0 0.75 0.02) = 4.106% kept HB3 GLU- 75 - HN VAL 47 9.091% * 1.6405% (0.75 1.0 0.37 0.02) = 1.641% kept HB2 ASP- 28 - HN VAL 47 9.091% * 0.1174% (0.98 1.0 0.02 0.02) = 0.117% HB3 LYS+ 78 - HN VAL 47 9.091% * 0.1001% (0.83 1.0 0.02 0.02) = 0.100% HB VAL 105 - HN VAL 47 9.091% * 0.0678% (0.57 1.0 0.02 0.02) = 0.068% HB2 GLU- 56 - HN VAL 47 9.091% * 0.0409% (0.34 1.0 0.02 0.02) = 0.041% HB VAL 87 - HN VAL 47 9.091% * 0.0370% (0.31 1.0 0.02 0.02) = 0.037% HG2 PRO 104 - HN VAL 47 9.091% * 0.0299% (0.25 1.0 0.02 0.02) = 0.030% HB3 LEU 43 - HN VAL 47 9.091% * 0.0185% (0.15 1.0 0.02 0.53) = 0.018% Peak 434 (4.50, 7.32, 122.31 ppm): 7 chemical-shift based assignments, quality = 0.71, support = 2.57, residual support = 11.8: * HB THR 46 - HN VAL 47 14.286% * 78.7495% (0.69 3.17 15.02) = 78.749% kept HA LYS+ 55 - HN VAL 47 14.286% * 13.7567% (0.94 0.40 0.02) = 13.757% kept HA LYS+ 32 - HN VAL 47 14.286% * 3.1645% (0.28 0.32 0.02) = 3.164% kept HB THR 79 - HN VAL 47 14.286% * 3.1137% (0.99 0.09 0.02) = 3.114% kept HA CYS 123 - HN VAL 47 14.286% * 0.5521% (0.76 0.02 0.02) = 0.552% HA SER 77 - HN VAL 47 14.286% * 0.5521% (0.76 0.02 0.02) = 0.552% HA MET 126 - HN VAL 47 14.286% * 0.1115% (0.15 0.02 0.02) = 0.111% Peak 435 (7.78, 7.32, 122.31 ppm): 6 chemical-shift based assignments, quality = 0.832, support = 4.54, residual support = 15.0: * T HN THR 46 - HN VAL 47 16.667% * 99.7488% (0.83 10.00 4.56 15.02) = 99.749% kept HN VAL 87 - HN VAL 47 16.667% * 0.0956% (0.80 1.00 0.02 0.02) = 0.096% HN SER 124 - HN VAL 47 16.667% * 0.0448% (0.37 1.00 0.02 0.02) = 0.045% HN ALA 37 - HN VAL 47 16.667% * 0.0407% (0.34 1.00 0.02 0.02) = 0.041% HN VAL 125 - HN VAL 47 16.667% * 0.0369% (0.31 1.00 0.02 0.02) = 0.037% HN ALA 93 - HN VAL 47 16.667% * 0.0332% (0.28 1.00 0.02 0.02) = 0.033% Peak 436 (0.89, 7.32, 122.31 ppm): 9 chemical-shift based assignments, quality = 0.73, support = 4.33, residual support = 62.4: * QG1 VAL 47 - HN VAL 47 11.111% * 79.0945% (0.73 5.35 78.85) = 79.094% kept QD1 LEU 67 - HN VAL 47 11.111% * 9.8828% (0.65 0.75 0.45) = 9.883% kept QG2 VAL 125 - HN VAL 47 11.111% * 5.0989% (0.87 0.29 0.02) = 5.099% kept QG1 VAL 80 - HN VAL 47 11.111% * 4.8260% (1.00 0.24 0.02) = 4.826% kept QG2 VAL 87 - HN VAL 47 11.111% * 0.3262% (0.80 0.02 0.02) = 0.326% QG2 VAL 40 - HN VAL 47 11.111% * 0.3262% (0.80 0.02 0.02) = 0.326% HG3 LYS+ 117 - HN VAL 47 11.111% * 0.2306% (0.57 0.02 0.02) = 0.231% QG2 ILE 100 - HN VAL 47 11.111% * 0.1133% (0.28 0.02 0.02) = 0.113% QD1 LEU 90 - HN VAL 47 11.111% * 0.1016% (0.25 0.02 0.02) = 0.102% Peak 437 (1.29, 7.32, 122.31 ppm): 7 chemical-shift based assignments, quality = 0.438, support = 3.27, residual support = 11.2: * QG2 THR 46 - HN VAL 47 14.286% * 74.3709% (0.34 4.31 15.02) = 74.371% kept HB2 LYS+ 55 - HN VAL 47 14.286% * 14.0996% (1.00 0.28 0.02) = 14.100% kept HB3 LEU 74 - HN VAL 47 14.286% * 5.9800% (0.41 0.29 0.36) = 5.980% kept HG2 LYS+ 81 - HN VAL 47 14.286% * 2.6662% (0.61 0.09 0.02) = 2.666% kept HG2 LYS+ 32 - HN VAL 47 14.286% * 1.2558% (0.25 0.10 0.02) = 1.256% kept QB ALA 103 - HN VAL 47 14.286% * 0.9331% (0.92 0.02 0.51) = 0.933% HG13 ILE 101 - HN VAL 47 14.286% * 0.6944% (0.69 0.02 0.02) = 0.694% Peak 438 (3.08, 7.32, 122.31 ppm): 2 chemical-shift based assignments, quality = 0.525, support = 5.29, residual support = 78.8: * O HA VAL 47 - HN VAL 47 50.000% * 99.9219% (0.53 10.0 5.30 78.85) = 99.922% kept HB3 TRP 51 - HN VAL 47 50.000% * 0.0781% (0.41 1.0 0.02 4.00) = 0.078% Peak 439 (8.48, 8.48, 122.22 ppm): 1 diagonal assignment: * HN LYS+ 113 - HN LYS+ 113 (0.92) kept Peak 441 (4.78, 8.48, 122.22 ppm): 2 chemical-shift based assignments, quality = 0.712, support = 0.581, residual support = 0.901: HA ASN 15 - HN LYS+ 113 50.000% * 61.0063% (0.94 0.46 0.97) = 61.006% kept HA LEU 23 - HN LYS+ 113 50.000% * 38.9937% (0.36 0.77 0.80) = 38.994% kept Peak 443 (7.95, 7.96, 122.12 ppm): 1 diagonal assignment: * HN LYS+ 72 - HN LYS+ 72 (0.90) kept Peak 444 (1.85, 7.96, 122.12 ppm): 11 chemical-shift based assignments, quality = 0.99, support = 3.09, residual support = 24.9: * O HB3 LYS+ 72 - HN LYS+ 72 9.091% * 96.6217% (1.00 10.0 3.18 25.75) = 96.622% kept HD2 PRO 59 - HN LYS+ 72 9.091% * 2.8748% (0.87 1.0 0.69 1.46) = 2.875% kept HB2 PRO 104 - HN LYS+ 72 9.091% * 0.0964% (1.00 1.0 0.02 0.02) = 0.096% HB3 LYS+ 60 - HN LYS+ 72 9.091% * 0.0964% (1.00 1.0 0.02 0.02) = 0.096% HB VAL 94 - HN LYS+ 72 9.091% * 0.0867% (0.90 1.0 0.02 0.02) = 0.087% HB2 LYS+ 66 - HN LYS+ 72 9.091% * 0.0774% (0.80 1.0 0.02 0.02) = 0.077% HB2 PRO 59 - HN LYS+ 72 9.091% * 0.0433% (0.45 1.0 0.02 1.46) = 0.043% HB3 ARG+ 84 - HN LYS+ 72 9.091% * 0.0363% (0.37 1.0 0.02 0.02) = 0.036% HD3 PRO 52 - HN LYS+ 72 9.091% * 0.0330% (0.34 1.0 0.02 0.02) = 0.033% HG2 PRO 112 - HN LYS+ 72 9.091% * 0.0172% (0.18 1.0 0.02 0.46) = 0.017% HG3 LYS+ 120 - HN LYS+ 72 9.091% * 0.0169% (0.17 1.0 0.02 0.02) = 0.017% Peak 445 (0.67, 7.96, 122.12 ppm): 7 chemical-shift based assignments, quality = 0.666, support = 2.22, residual support = 1.32: * QG2 ILE 68 - HN LYS+ 72 14.286% * 33.3571% (0.49 3.69 2.90) = 33.357% kept QG1 VAL 62 - HN LYS+ 72 14.286% * 23.7950% (0.96 1.33 0.41) = 23.795% kept QG2 ILE 101 - HN LYS+ 72 14.286% * 19.7110% (0.43 2.45 1.16) = 19.711% kept QG2 ILE 48 - HN LYS+ 72 14.286% * 16.0867% (0.96 0.90 0.13) = 16.087% kept HG12 ILE 19 - HN LYS+ 72 14.286% * 6.7166% (0.53 0.69 0.02) = 6.717% kept QG2 VAL 94 - HN LYS+ 72 14.286% * 0.1809% (0.49 0.02 0.02) = 0.181% QD1 ILE 19 - HN LYS+ 72 14.286% * 0.1528% (0.41 0.02 0.02) = 0.153% Peak 446 (1.49, 7.96, 122.12 ppm): 8 chemical-shift based assignments, quality = 0.525, support = 3.24, residual support = 20.3: * O HB2 LYS+ 72 - HN LYS+ 72 12.500% * 65.5183% (0.45 10.0 3.33 25.75) = 65.518% kept QB ALA 70 - HN LYS+ 72 12.500% * 18.2457% (0.96 1.0 2.59 2.40) = 18.246% kept HG3 LYS+ 72 - HN LYS+ 72 12.500% * 11.7098% (0.34 1.0 4.70 25.75) = 11.710% kept HB3 LEU 67 - HN LYS+ 72 12.500% * 3.1463% (0.45 1.0 0.96 0.21) = 3.146% kept HG13 ILE 48 - HN LYS+ 72 12.500% * 1.1041% (0.20 1.0 0.76 0.13) = 1.104% kept HB3 LYS+ 44 - HN LYS+ 72 12.500% * 0.1382% (0.94 1.0 0.02 0.02) = 0.138% HD3 LYS+ 108 - HN LYS+ 72 12.500% * 0.0827% (0.57 1.0 0.02 0.02) = 0.083% HG3 PRO 52 - HN LYS+ 72 12.500% * 0.0548% (0.37 1.0 0.02 0.02) = 0.055% Peak 447 (8.79, 7.96, 122.12 ppm): 4 chemical-shift based assignments, quality = 0.862, support = 1.85, residual support = 4.15: * T HN SER 69 - HN LYS+ 72 25.000% * 99.4625% (0.87 10.00 1.86 4.17) = 99.463% kept HN THR 95 - HN LYS+ 72 25.000% * 0.3247% (0.69 1.00 0.08 0.02) = 0.325% HN LYS+ 32 - HN LYS+ 72 25.000% * 0.1747% (0.22 1.00 0.13 0.02) = 0.175% HN ASN 57 - HN LYS+ 72 25.000% * 0.0381% (0.31 1.00 0.02 0.02) = 0.038% Peak 448 (4.57, 7.96, 122.12 ppm): 4 chemical-shift based assignments, quality = 0.645, support = 3.57, residual support = 25.7: * O HA LYS+ 72 - HN LYS+ 72 25.000% * 99.7697% (0.65 10.0 3.58 25.75) = 99.770% kept HA LYS+ 78 - HN LYS+ 72 25.000% * 0.1539% (1.00 1.0 0.02 0.02) = 0.154% HA LEU 17 - HN LYS+ 72 25.000% * 0.0526% (0.34 1.0 0.02 0.02) = 0.053% HA ASP- 25 - HN LYS+ 72 25.000% * 0.0238% (0.15 1.0 0.02 0.02) = 0.024% Peak 449 (3.45, 7.96, 122.12 ppm): 6 chemical-shift based assignments, quality = 0.644, support = 3.16, residual support = 12.3: * O HA1 GLY 71 - HN LYS+ 72 16.667% * 96.2153% (0.65 10.0 3.27 12.79) = 96.215% kept HA VAL 62 - HN LYS+ 72 16.667% * 2.3588% (0.76 1.0 0.42 0.41) = 2.359% kept HA ILE 48 - HN LYS+ 72 16.667% * 1.0110% (0.41 1.0 0.33 0.13) = 1.011% kept HA VAL 40 - HN LYS+ 72 16.667% * 0.1484% (1.00 1.0 0.02 0.02) = 0.148% HA VAL 80 - HN LYS+ 72 16.667% * 0.1474% (0.99 1.0 0.02 0.02) = 0.147% HD3 PRO 31 - HN LYS+ 72 16.667% * 0.1191% (0.80 1.0 0.02 0.02) = 0.119% Peak 450 (4.12, 7.96, 122.12 ppm): 8 chemical-shift based assignments, quality = 0.584, support = 3.21, residual support = 11.7: * O HA2 GLY 71 - HN LYS+ 72 12.500% * 89.8675% (0.61 10.0 3.24 12.79) = 89.867% kept HA ALA 70 - HN LYS+ 72 12.500% * 9.5319% (0.41 1.0 3.13 2.40) = 9.532% kept HB3 SER 49 - HN LYS+ 72 12.500% * 0.1376% (0.93 1.0 0.02 0.02) = 0.138% HA ARG+ 53 - HN LYS+ 72 12.500% * 0.1368% (0.92 1.0 0.02 0.02) = 0.137% HA THR 46 - HN LYS+ 72 12.500% * 0.1132% (0.76 1.0 0.02 0.02) = 0.113% HA LYS+ 110 - HN LYS+ 72 12.500% * 0.1018% (0.69 1.0 0.02 0.02) = 0.102% HB2 SER 88 - HN LYS+ 72 12.500% * 0.0556% (0.37 1.0 0.02 0.02) = 0.056% HA LYS+ 63 - HN LYS+ 72 12.500% * 0.0556% (0.37 1.0 0.02 0.02) = 0.056% Peak 451 (4.38, 8.39, 122.01 ppm): 14 chemical-shift based assignments, quality = 0.108, support = 0.02, residual support = 0.0504: HA ALA 91 - HN GLU- 109 7.143% * 11.1130% (0.14 0.02 0.29) = 11.113% kept HA SER 88 - HN GLU- 109 7.143% * 10.7487% (0.14 0.02 0.02) = 10.749% kept HA SER 27 - HN GLU- 109 7.143% * 10.5358% (0.14 0.02 0.02) = 10.536% kept HA ALA 37 - HN GLU- 109 7.143% * 10.2814% (0.13 0.02 0.02) = 10.281% kept HA LYS+ 60 - HN GLU- 109 7.143% * 9.3030% (0.12 0.02 0.02) = 9.303% kept HA TRP 51 - HN GLU- 109 7.143% * 8.9184% (0.12 0.02 0.02) = 8.918% kept HA ASN 57 - HN GLU- 109 7.143% * 7.2050% (0.09 0.02 0.02) = 7.205% kept HA THR 95 - HN GLU- 109 7.143% * 6.7554% (0.09 0.02 0.02) = 6.755% kept HB THR 61 - HN GLU- 109 7.143% * 6.3057% (0.08 0.02 0.02) = 6.306% kept HA PRO 104 - HN GLU- 109 7.143% * 5.4213% (0.07 0.02 0.02) = 5.421% kept HA2 GLY 26 - HN GLU- 109 7.143% * 4.9934% (0.06 0.02 0.02) = 4.993% kept HA PRO 112 - HN GLU- 109 7.143% * 3.4376% (0.04 0.02 0.02) = 3.438% kept HA PRO 116 - HN GLU- 109 7.143% * 2.7772% (0.04 0.02 0.02) = 2.777% kept HA PRO 86 - HN GLU- 109 7.143% * 2.2041% (0.03 0.02 0.02) = 2.204% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 452 (1.81, 8.39, 122.01 ppm): 10 chemical-shift based assignments, quality = 0.138, support = 1.79, residual support = 6.33: * O HB2 GLU- 109 - HN GLU- 109 10.000% * 84.6351% (0.14 10.0 1.74 6.66) = 84.635% kept HG3 LYS+ 108 - HN GLU- 109 10.000% * 9.6623% (0.13 1.0 2.21 4.61) = 9.662% kept HB3 LYS+ 108 - HN GLU- 109 10.000% * 5.3716% (0.08 1.0 1.95 4.61) = 5.372% kept HD3 LYS+ 72 - HN GLU- 109 10.000% * 0.0954% (0.14 1.0 0.02 0.02) = 0.095% HD3 LYS+ 117 - HN GLU- 109 10.000% * 0.0845% (0.12 1.0 0.02 0.02) = 0.084% HB3 LYS+ 63 - HN GLU- 109 10.000% * 0.0551% (0.08 1.0 0.02 0.02) = 0.055% HB2 PRO 59 - HN GLU- 109 10.000% * 0.0400% (0.06 1.0 0.02 0.02) = 0.040% HG2 PRO 31 - HN GLU- 109 10.000% * 0.0217% (0.03 1.0 0.02 0.02) = 0.022% HG3 LYS+ 63 - HN GLU- 109 10.000% * 0.0193% (0.03 1.0 0.02 0.02) = 0.019% HB2 LYS+ 66 - HN GLU- 109 10.000% * 0.0150% (0.02 1.0 0.02 0.02) = 0.015% Peak 453 (8.86, 8.87, 121.88 ppm): 1 diagonal assignment: * HN ILE 68 - HN ILE 68 (0.87) kept Peak 454 (5.55, 8.87, 121.88 ppm): 1 chemical-shift based assignment, quality = 0.308, support = 5.79, residual support = 34.9: * O HA LEU 67 - HN ILE 68 100.000% *100.0000% (0.31 10.0 5.79 34.86) = 100.000% kept Peak 455 (0.90, 8.87, 121.88 ppm): 10 chemical-shift based assignments, quality = 0.785, support = 5.34, residual support = 44.7: * QD1 LEU 67 - HN ILE 68 10.000% * 78.2045% (0.94 5.19 34.86) = 78.204% kept HG12 ILE 68 - HN ILE 68 10.000% * 18.8743% (0.17 6.77 92.61) = 18.874% kept QG1 VAL 47 - HN ILE 68 10.000% * 1.3869% (0.98 0.09 0.02) = 1.387% kept QG2 VAL 87 - HN ILE 68 10.000% * 0.3178% (1.00 0.02 0.02) = 0.318% QG2 VAL 40 - HN ILE 68 10.000% * 0.3178% (1.00 0.02 0.02) = 0.318% HG3 LYS+ 117 - HN ILE 68 10.000% * 0.2856% (0.90 0.02 0.02) = 0.286% QG1 VAL 80 - HN ILE 68 10.000% * 0.2763% (0.87 0.02 0.02) = 0.276% QG2 VAL 125 - HN ILE 68 10.000% * 0.1676% (0.53 0.02 0.02) = 0.168% QG2 VAL 80 - HN ILE 68 10.000% * 0.0983% (0.31 0.02 0.02) = 0.098% HG3 LYS+ 110 - HN ILE 68 10.000% * 0.0709% (0.22 0.02 0.02) = 0.071% Peak 456 (0.70, 8.87, 121.88 ppm): 11 chemical-shift based assignments, quality = 0.711, support = 4.5, residual support = 69.2: * QG2 ILE 68 - HN ILE 68 9.091% * 74.7548% (0.65 5.86 92.61) = 74.755% kept QG2 ILE 101 - HN ILE 68 9.091% * 13.9872% (1.00 0.71 0.10) = 13.987% kept QG2 ILE 48 - HN ILE 68 9.091% * 3.8344% (0.95 0.21 0.02) = 3.834% kept QG2 THR 96 - HN ILE 68 9.091% * 2.7890% (0.94 0.15 0.02) = 2.789% kept QD1 ILE 19 - HN ILE 68 9.091% * 1.5446% (0.73 0.11 0.02) = 1.545% kept HG12 ILE 19 - HN ILE 68 9.091% * 1.2608% (0.61 0.11 0.02) = 1.261% kept QG2 VAL 94 - HN ILE 68 9.091% * 1.1133% (0.65 0.09 0.02) = 1.113% kept QG1 VAL 65 - HN ILE 68 9.091% * 0.3942% (1.00 0.02 1.17) = 0.394% HG LEU 74 - HN ILE 68 9.091% * 0.1919% (0.49 0.02 1.07) = 0.192% QG1 VAL 62 - HN ILE 68 9.091% * 0.0690% (0.17 0.02 0.02) = 0.069% QG1 VAL 40 - HN ILE 68 9.091% * 0.0608% (0.15 0.02 0.02) = 0.061% Peak 457 (1.63, 8.87, 121.88 ppm): 10 chemical-shift based assignments, quality = 0.988, support = 6.17, residual support = 87.0: * O HB ILE 68 - HN ILE 68 10.000% * 93.8795% (1.00 10.0 6.54 92.61) = 93.880% kept HG12 ILE 101 - HN ILE 68 10.000% * 3.5362% (1.00 1.0 0.75 0.10) = 3.536% kept HG LEU 43 - HN ILE 68 10.000% * 1.1754% (1.00 1.0 0.25 0.61) = 1.175% kept HG2 ARG+ 22 - HN ILE 68 10.000% * 1.0319% (0.49 1.0 0.45 0.02) = 1.032% kept HB VAL 122 - HN ILE 68 10.000% * 0.0939% (1.00 1.0 0.02 0.02) = 0.094% HG LEU 23 - HN ILE 68 10.000% * 0.0933% (0.99 1.0 0.02 0.02) = 0.093% HG3 LYS+ 78 - HN ILE 68 10.000% * 0.0816% (0.87 1.0 0.02 0.02) = 0.082% HG2 LYS+ 110 - HN ILE 68 10.000% * 0.0495% (0.53 1.0 0.02 0.02) = 0.050% HB3 PRO 52 - HN ILE 68 10.000% * 0.0353% (0.37 1.0 0.02 0.02) = 0.035% HD3 LYS+ 32 - HN ILE 68 10.000% * 0.0235% (0.25 1.0 0.02 0.02) = 0.023% Peak 458 (1.38, 8.87, 121.88 ppm): 12 chemical-shift based assignments, quality = 0.834, support = 5.4, residual support = 75.7: * HG13 ILE 68 - HN ILE 68 8.333% * 73.9827% (1.00 6.02 92.61) = 73.983% kept HG LEU 67 - HN ILE 68 8.333% * 20.4431% (0.37 4.43 34.86) = 20.443% kept HG13 ILE 100 - HN ILE 68 8.333% * 4.4547% (0.41 0.88 0.93) = 4.455% kept QG2 THR 39 - HN ILE 68 8.333% * 0.2325% (0.94 0.02 0.02) = 0.232% HG2 LYS+ 78 - HN ILE 68 8.333% * 0.1968% (0.80 0.02 0.02) = 0.197% HD3 LYS+ 20 - HN ILE 68 8.333% * 0.1878% (0.76 0.02 0.02) = 0.188% QB ALA 11 - HN ILE 68 8.333% * 0.1196% (0.49 0.02 0.02) = 0.120% HB3 LYS+ 20 - HN ILE 68 8.333% * 0.1102% (0.45 0.02 0.02) = 0.110% QB ALA 93 - HN ILE 68 8.333% * 0.1010% (0.41 0.02 0.02) = 0.101% HB3 LEU 17 - HN ILE 68 8.333% * 0.0683% (0.28 0.02 0.02) = 0.068% QB ALA 37 - HN ILE 68 8.333% * 0.0547% (0.22 0.02 0.02) = 0.055% HG3 LYS+ 81 - HN ILE 68 8.333% * 0.0486% (0.20 0.02 0.02) = 0.049% Peak 459 (1.19, 8.87, 121.88 ppm): 6 chemical-shift based assignments, quality = 0.31, support = 4.65, residual support = 31.0: * HB2 LEU 67 - HN ILE 68 16.667% * 88.6488% (0.28 5.24 34.86) = 88.649% kept HB2 LEU 74 - HN ILE 68 16.667% * 4.6580% (0.80 0.10 1.07) = 4.658% kept HB2 LEU 43 - HN ILE 68 16.667% * 3.5063% (0.37 0.15 0.61) = 3.506% kept QG2 THR 106 - HN ILE 68 16.667% * 2.7326% (0.49 0.09 0.02) = 2.733% kept HG3 PRO 59 - HN ILE 68 16.667% * 0.2410% (0.20 0.02 0.21) = 0.241% HB3 ARG+ 22 - HN ILE 68 16.667% * 0.2133% (0.17 0.02 0.02) = 0.213% Peak 460 (9.45, 8.87, 121.88 ppm): 1 chemical-shift based assignment, quality = 0.523, support = 2.73, residual support = 15.6: * T HN HIS+ 98 - HN ILE 68 100.000% *100.0000% (0.52 10.00 2.73 15.60) = 100.000% kept Peak 463 (8.25, 8.26, 122.13 ppm): 1 diagonal assignment: * HN ASP- 115 - HN ASP- 115 (0.85) kept Peak 464 (3.90, 8.26, 122.13 ppm): 6 chemical-shift based assignments, quality = 0.555, support = 2.52, residual support = 9.16: * HD2 PRO 116 - HN ASP- 115 16.667% * 76.2743% (0.52 3.15 12.01) = 76.274% kept HB2 SER 77 - HN ASP- 115 16.667% * 19.8007% (0.78 0.54 0.02) = 19.801% kept HB THR 96 - HN ASP- 115 16.667% * 2.8125% (0.22 0.27 0.02) = 2.813% kept HD2 PRO 86 - HN ASP- 115 16.667% * 0.5580% (0.59 0.02 0.02) = 0.558% HD3 PRO 35 - HN ASP- 115 16.667% * 0.4125% (0.44 0.02 0.02) = 0.412% HA GLU- 45 - HN ASP- 115 16.667% * 0.1420% (0.15 0.02 0.02) = 0.142% Peak 465 (4.78, 8.26, 122.13 ppm): 2 chemical-shift based assignments, quality = 0.821, support = 0.824, residual support = 2.68: HA ASN 15 - HN ASP- 115 50.000% * 81.2152% (0.96 0.82 2.00) = 81.215% kept HA LEU 23 - HN ASP- 115 50.000% * 18.7848% (0.22 0.84 5.60) = 18.785% kept Peak 466 (2.72, 8.26, 122.13 ppm): 3 chemical-shift based assignments, quality = 0.593, support = 2.24, residual support = 18.6: * O HB3 ASP- 115 - HN ASP- 115 33.333% * 99.7642% (0.59 10.0 2.24 18.67) = 99.764% kept HB3 PHE 21 - HN ASP- 115 33.333% * 0.1427% (0.85 1.0 0.02 0.14) = 0.143% HE3 LYS+ 120 - HN ASP- 115 33.333% * 0.0931% (0.55 1.0 0.02 0.02) = 0.093% Peak 467 (4.78, 8.48, 121.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 468 (0.94, 8.48, 121.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 470 (4.79, 8.26, 121.80 ppm): 8 chemical-shift based assignments, quality = 0.149, support = 0.994, residual support = 3.52: HA LEU 23 - HN ASP- 115 12.500% * 41.6223% (0.18 0.84 5.60) = 41.622% kept HA ASN 15 - HN ASP- 115 12.500% * 38.8363% (0.18 0.82 2.00) = 38.836% kept HA GLU- 18 - HN VAL 94 12.500% * 11.2682% (0.02 2.48 3.64) = 11.268% kept HB THR 39 - HN VAL 94 12.500% * 3.8555% (0.02 0.94 0.02) = 3.855% kept HA ASN 15 - HN VAL 94 12.500% * 3.3680% (0.04 0.35 0.02) = 3.368% kept HA GLU- 18 - HN ASP- 115 12.500% * 0.4442% (0.08 0.02 0.02) = 0.444% HB THR 39 - HN ASP- 115 12.500% * 0.4019% (0.07 0.02 0.02) = 0.402% HA LEU 23 - HN VAL 94 12.500% * 0.2036% (0.04 0.02 0.02) = 0.204% Not enough quality. Peak unassigned. Peak 471 (2.84, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 472 (4.36, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 473 (4.47, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 474 (2.34, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 475 (4.79, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 476 (2.06, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 477 (1.75, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 478 (8.16, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 479 (1.94, 8.34, 121.70 ppm): 30 chemical-shift based assignments, quality = 0.151, support = 2.13, residual support = 6.66: * O HB3 GLU- 109 - HN GLU- 109 3.333% * 93.5366% (0.16 10.0 2.23 6.66) = 93.537% kept HB2 LEU 23 - HN VAL 99 3.333% * 3.1073% (0.08 1.0 1.39 13.83) = 3.107% kept HB2 PRO 116 - HN GLU- 109 3.333% * 0.3334% (0.57 1.0 0.02 0.02) = 0.333% HB2 GLU- 10 - HN GLU- 109 3.333% * 0.3334% (0.57 1.0 0.02 0.02) = 0.333% HB2 GLU- 75 - HN GLU- 109 3.333% * 0.3106% (0.53 1.0 0.02 0.02) = 0.311% HB3 LYS+ 55 - HN GLU- 109 3.333% * 0.2571% (0.44 1.0 0.02 0.02) = 0.257% HB ILE 29 - HN GLU- 109 3.333% * 0.2571% (0.44 1.0 0.02 0.02) = 0.257% HG3 PRO 31 - HN GLU- 109 3.333% * 0.2443% (0.41 1.0 0.02 0.02) = 0.244% HB2 LEU 23 - HN GLU- 109 3.333% * 0.1905% (0.32 1.0 0.02 0.02) = 0.190% HB2 PRO 35 - HN GLU- 109 3.333% * 0.1638% (0.28 1.0 0.02 0.02) = 0.164% HG3 PRO 116 - HN GLU- 109 3.333% * 0.1383% (0.23 1.0 0.02 0.02) = 0.138% HB VAL 13 - HN GLU- 109 3.333% * 0.1263% (0.21 1.0 0.02 0.02) = 0.126% HG2 PRO 112 - HN GLU- 109 3.333% * 0.1206% (0.20 1.0 0.02 0.02) = 0.121% HD3 LYS+ 63 - HN GLU- 109 3.333% * 0.1038% (0.18 1.0 0.02 0.02) = 0.104% HB2 PRO 112 - HN GLU- 109 3.333% * 0.0967% (0.16 1.0 0.02 0.02) = 0.097% HB2 GLU- 10 - HN VAL 99 3.333% * 0.0785% (0.13 1.0 0.02 0.02) = 0.079% HB2 PRO 116 - HN VAL 99 3.333% * 0.0785% (0.13 1.0 0.02 0.02) = 0.079% HB2 GLU- 75 - HN VAL 99 3.333% * 0.0731% (0.12 1.0 0.02 0.02) = 0.073% HB3 LYS+ 55 - HN VAL 99 3.333% * 0.0606% (0.10 1.0 0.02 0.02) = 0.061% HB ILE 29 - HN VAL 99 3.333% * 0.0606% (0.10 1.0 0.02 0.02) = 0.061% HB3 GLN 102 - HN GLU- 109 3.333% * 0.0589% (0.10 1.0 0.02 0.02) = 0.059% HG3 PRO 31 - HN VAL 99 3.333% * 0.0575% (0.10 1.0 0.02 0.02) = 0.058% HB2 PRO 35 - HN VAL 99 3.333% * 0.0386% (0.07 1.0 0.02 0.02) = 0.039% HG3 PRO 116 - HN VAL 99 3.333% * 0.0326% (0.06 1.0 0.02 0.02) = 0.033% HB VAL 13 - HN VAL 99 3.333% * 0.0297% (0.05 1.0 0.02 0.02) = 0.030% HG2 PRO 112 - HN VAL 99 3.333% * 0.0284% (0.05 1.0 0.02 0.02) = 0.028% HD3 LYS+ 63 - HN VAL 99 3.333% * 0.0245% (0.04 1.0 0.02 0.02) = 0.024% HB2 PRO 112 - HN VAL 99 3.333% * 0.0228% (0.04 1.0 0.02 0.02) = 0.023% HB3 GLU- 109 - HN VAL 99 3.333% * 0.0220% (0.04 1.0 0.02 0.02) = 0.022% HB3 GLN 102 - HN VAL 99 3.333% * 0.0139% (0.02 1.0 0.02 0.02) = 0.014% Peak 480 (8.34, 8.34, 121.70 ppm): 1 diagonal assignment: * HN GLU- 109 - HN GLU- 109 (0.53) kept Peak 481 (4.21, 8.34, 121.70 ppm): 18 chemical-shift based assignments, quality = 0.293, support = 1.69, residual support = 5.99: * O HA GLU- 109 - HN GLU- 109 5.556% * 68.7460% (0.37 10.0 1.55 6.66) = 68.746% kept O HA LYS+ 108 - HN GLU- 109 5.556% * 30.5888% (0.13 10.0 2.04 4.61) = 30.589% kept HA ASP- 82 - HN GLU- 109 5.556% * 0.1268% (0.53 1.0 0.02 0.02) = 0.127% HA GLU- 12 - HN GLU- 109 5.556% * 0.1268% (0.53 1.0 0.02 0.02) = 0.127% HB3 SER 49 - HN GLU- 109 5.556% * 0.0877% (0.36 1.0 0.02 0.02) = 0.088% HA SER 49 - HN GLU- 109 5.556% * 0.0616% (0.26 1.0 0.02 0.02) = 0.062% HA ALA 42 - HN GLU- 109 5.556% * 0.0516% (0.21 1.0 0.02 0.02) = 0.052% HA GLU- 10 - HN GLU- 109 5.556% * 0.0306% (0.13 1.0 0.02 0.02) = 0.031% HA GLU- 54 - HN GLU- 109 5.556% * 0.0306% (0.13 1.0 0.02 0.02) = 0.031% HA ASP- 82 - HN VAL 99 5.556% * 0.0299% (0.12 1.0 0.02 0.02) = 0.030% HA GLU- 12 - HN VAL 99 5.556% * 0.0299% (0.12 1.0 0.02 0.02) = 0.030% HA GLU- 109 - HN VAL 99 5.556% * 0.0209% (0.09 1.0 0.02 0.02) = 0.021% HB3 SER 49 - HN VAL 99 5.556% * 0.0206% (0.09 1.0 0.02 0.02) = 0.021% HA SER 49 - HN VAL 99 5.556% * 0.0145% (0.06 1.0 0.02 0.02) = 0.015% HA ALA 42 - HN VAL 99 5.556% * 0.0121% (0.05 1.0 0.02 0.02) = 0.012% HA GLU- 10 - HN VAL 99 5.556% * 0.0072% (0.03 1.0 0.02 0.02) = 0.007% HA GLU- 54 - HN VAL 99 5.556% * 0.0072% (0.03 1.0 0.02 0.02) = 0.007% HA LYS+ 108 - HN VAL 99 5.556% * 0.0072% (0.03 1.0 0.02 0.02) = 0.007% Peak 482 (2.22, 8.34, 121.70 ppm): 28 chemical-shift based assignments, quality = 0.399, support = 1.36, residual support = 4.28: * HG3 GLU- 109 - HN GLU- 109 3.571% * 61.7963% (0.54 1.82 6.66) = 61.796% kept HB3 GLU- 45 - HN GLU- 109 3.571% * 13.6532% (0.32 0.67 0.02) = 13.653% kept HG3 MET 97 - HN VAL 99 3.571% * 9.7871% (0.12 1.25 1.69) = 9.787% kept HG3 GLU- 18 - HN VAL 99 3.571% * 3.6628% (0.13 0.43 0.02) = 3.663% kept HG3 GLN 102 - HN VAL 99 3.571% * 2.8282% (0.13 0.34 0.02) = 2.828% kept HG2 PRO 112 - HN GLU- 109 3.571% * 0.7195% (0.57 0.02 0.02) = 0.720% HG3 GLU- 18 - HN GLU- 109 3.571% * 0.7180% (0.57 0.02 0.02) = 0.718% HG3 GLN 102 - HN GLU- 109 3.571% * 0.7132% (0.57 0.02 0.02) = 0.713% HB2 GLU- 50 - HN GLU- 109 3.571% * 0.7053% (0.56 0.02 0.02) = 0.705% HB2 PRO 52 - HN GLU- 109 3.571% * 0.6807% (0.54 0.02 0.02) = 0.681% HA1 GLY 58 - HN GLU- 109 3.571% * 0.6642% (0.53 0.02 0.02) = 0.664% HG3 MET 97 - HN GLU- 109 3.571% * 0.6642% (0.53 0.02 0.02) = 0.664% HA1 GLY 58 - HN VAL 99 3.571% * 0.6089% (0.12 0.08 0.02) = 0.609% HG3 MET 126 - HN GLU- 109 3.571% * 0.6010% (0.48 0.02 0.02) = 0.601% HG3 GLN 16 - HN GLU- 109 3.571% * 0.3502% (0.28 0.02 0.02) = 0.350% HG3 GLU- 10 - HN GLU- 109 3.571% * 0.3226% (0.26 0.02 0.02) = 0.323% HB3 ASN 15 - HN GLU- 109 3.571% * 0.2221% (0.18 0.02 0.02) = 0.222% HG2 PRO 112 - HN VAL 99 3.571% * 0.1695% (0.13 0.02 0.02) = 0.169% HB2 GLU- 50 - HN VAL 99 3.571% * 0.1661% (0.13 0.02 0.02) = 0.166% HG3 GLU- 109 - HN VAL 99 3.571% * 0.1603% (0.13 0.02 0.02) = 0.160% HB2 PRO 52 - HN VAL 99 3.571% * 0.1603% (0.13 0.02 1.02) = 0.160% HG2 MET 126 - HN GLU- 109 3.571% * 0.1602% (0.13 0.02 0.02) = 0.160% HG3 MET 126 - HN VAL 99 3.571% * 0.1416% (0.11 0.02 0.02) = 0.142% HB3 GLU- 45 - HN VAL 99 3.571% * 0.0960% (0.08 0.02 0.58) = 0.096% HG3 GLN 16 - HN VAL 99 3.571% * 0.0825% (0.07 0.02 0.02) = 0.082% HG3 GLU- 10 - HN VAL 99 3.571% * 0.0760% (0.06 0.02 0.02) = 0.076% HB3 ASN 15 - HN VAL 99 3.571% * 0.0523% (0.04 0.02 0.02) = 0.052% HG2 MET 126 - HN VAL 99 3.571% * 0.0377% (0.03 0.02 0.02) = 0.038% Peak 484 (1.73, 8.44, 121.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 485 (4.50, 8.11, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 486 (8.09, 8.11, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 487 (1.67, 8.11, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 489 (2.98, 8.11, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 490 (7.87, 7.88, 121.81 ppm): 1 diagonal assignment: * HN LEU 90 - HN LEU 90 (0.83) kept Peak 491 (1.61, 7.88, 121.81 ppm): 10 chemical-shift based assignments, quality = 0.865, support = 0.918, residual support = 1.09: HB3 PRO 52 - HN LEU 90 10.000% * 42.5000% (0.96 1.36 2.38) = 42.500% kept HD3 LYS+ 32 - HN LEU 90 10.000% * 25.0948% (0.87 0.90 0.21) = 25.095% kept HG2 LYS+ 110 - HN LEU 90 10.000% * 12.4218% (1.00 0.38 0.02) = 12.422% kept HG3 LYS+ 78 - HN LEU 90 10.000% * 9.0653% (0.83 0.34 0.02) = 9.065% kept HB3 LYS+ 32 - HN LEU 90 10.000% * 5.6447% (0.37 0.47 0.21) = 5.645% kept HG LEU 23 - HN LEU 90 10.000% * 3.8356% (0.45 0.26 0.15) = 3.836% kept HB VAL 122 - HN LEU 90 10.000% * 0.3659% (0.57 0.02 0.02) = 0.366% HG LEU 43 - HN LEU 90 10.000% * 0.3659% (0.57 0.02 0.02) = 0.366% HB ILE 68 - HN LEU 90 10.000% * 0.3659% (0.57 0.02 0.02) = 0.366% HG12 ILE 101 - HN LEU 90 10.000% * 0.3400% (0.53 0.02 0.02) = 0.340% Peak 492 (4.29, 7.88, 121.81 ppm): 14 chemical-shift based assignments, quality = 0.743, support = 2.94, residual support = 18.2: * O HA LEU 90 - HN LEU 90 7.143% * 93.6912% (0.76 10.0 3.10 19.40) = 93.691% kept HA ILE 29 - HN LEU 90 7.143% * 2.0642% (0.52 1.0 0.64 0.02) = 2.064% kept HA ASP- 36 - HN LEU 90 7.143% * 1.9766% (0.95 1.0 0.33 0.02) = 1.977% kept HA ALA 93 - HN LEU 90 7.143% * 1.5549% (0.34 1.0 0.74 0.15) = 1.555% kept HA CYS 121 - HN LEU 90 7.143% * 0.1215% (0.98 1.0 0.02 0.02) = 0.122% HA THR 106 - HN LEU 90 7.143% * 0.1202% (0.97 1.0 0.02 0.02) = 0.120% HB3 CYS 121 - HN LEU 90 7.143% * 0.1132% (0.91 1.0 0.02 0.02) = 0.113% HA VAL 122 - HN LEU 90 7.143% * 0.0842% (0.68 1.0 0.02 0.02) = 0.084% HA VAL 94 - HN LEU 90 7.143% * 0.0597% (0.48 1.0 0.02 0.02) = 0.060% HA PRO 52 - HN LEU 90 7.143% * 0.0550% (0.44 1.0 0.02 2.38) = 0.055% HA ARG+ 84 - HN LEU 90 7.143% * 0.0550% (0.44 1.0 0.02 0.02) = 0.055% HA SER 85 - HN LEU 90 7.143% * 0.0550% (0.44 1.0 0.02 0.02) = 0.055% HA GLU- 56 - HN LEU 90 7.143% * 0.0306% (0.25 1.0 0.02 0.02) = 0.031% HA GLU- 64 - HN LEU 90 7.143% * 0.0189% (0.15 1.0 0.02 0.02) = 0.019% Peak 493 (4.68, 7.88, 121.81 ppm): 7 chemical-shift based assignments, quality = 0.967, support = 2.09, residual support = 4.38: * O HA ASN 89 - HN LEU 90 14.286% * 99.7248% (0.97 10.0 2.10 4.40) = 99.725% kept HA TYR 83 - HN LEU 90 14.286% * 0.0850% (0.83 1.0 0.02 0.02) = 0.085% HA PRO 35 - HN LEU 90 14.286% * 0.0617% (0.60 1.0 0.02 0.02) = 0.062% HA GLN 16 - HN LEU 90 14.286% * 0.0456% (0.44 1.0 0.02 0.02) = 0.046% HA LYS+ 120 - HN LEU 90 14.286% * 0.0314% (0.31 1.0 0.02 0.02) = 0.031% HA VAL 99 - HN LEU 90 14.286% * 0.0314% (0.31 1.0 0.02 0.02) = 0.031% HA THR 61 - HN LEU 90 14.286% * 0.0201% (0.20 1.0 0.02 0.02) = 0.020% Peak 494 (8.29, 7.88, 121.81 ppm): 4 chemical-shift based assignments, quality = 0.835, support = 2.75, residual support = 14.0: * T HN ALA 91 - HN LEU 90 25.000% * 89.7961% (0.86 10.00 2.73 15.11) = 89.796% kept HN ASN 89 - HN LEU 90 25.000% * 10.0687% (0.64 1.00 3.01 4.40) = 10.069% kept HN ASP- 28 - HN LEU 90 25.000% * 0.0999% (0.95 1.00 0.02 0.02) = 0.100% HN VAL 99 - HN LEU 90 25.000% * 0.0353% (0.34 1.00 0.02 0.02) = 0.035% Peak 495 (0.87, 7.88, 121.81 ppm): 8 chemical-shift based assignments, quality = 0.809, support = 2.24, residual support = 17.9: * QD1 LEU 90 - HN LEU 90 12.500% * 92.4558% (0.86 2.42 19.40) = 92.456% kept QG2 VAL 40 - HN LEU 90 12.500% * 2.4414% (0.20 0.28 0.02) = 2.441% kept QG1 VAL 80 - HN LEU 90 12.500% * 2.3356% (0.48 0.11 0.02) = 2.336% kept QG2 VAL 13 - HN LEU 90 12.500% * 0.9287% (0.17 0.12 0.02) = 0.929% QG2 ILE 100 - HN LEU 90 12.500% * 0.7911% (0.89 0.02 0.02) = 0.791% QG2 VAL 125 - HN LEU 90 12.500% * 0.7368% (0.83 0.02 0.02) = 0.737% QG2 VAL 87 - HN LEU 90 12.500% * 0.1746% (0.20 0.02 0.02) = 0.175% QG1 VAL 47 - HN LEU 90 12.500% * 0.1361% (0.15 0.02 0.02) = 0.136% Peak 496 (2.80, 7.88, 121.81 ppm): 6 chemical-shift based assignments, quality = 0.766, support = 2.11, residual support = 3.41: * HB3 ASN 89 - HN LEU 90 16.667% * 76.7865% (0.76 2.66 4.40) = 76.787% kept HE3 LYS+ 32 - HN LEU 90 16.667% * 13.5585% (0.98 0.36 0.21) = 13.559% kept HB2 ASN 119 - HN LEU 90 16.667% * 5.3762% (0.44 0.32 0.02) = 5.376% kept HE3 LYS+ 111 - HN LEU 90 16.667% * 3.2923% (0.89 0.10 0.02) = 3.292% kept HA2 GLY 58 - HN LEU 90 16.667% * 0.7534% (0.99 0.02 0.02) = 0.753% HB3 ASN 119 - HN LEU 90 16.667% * 0.2331% (0.31 0.02 0.02) = 0.233% Peak 497 (4.81, 7.88, 121.81 ppm): 4 chemical-shift based assignments, quality = 0.868, support = 0.425, residual support = 0.25: HA LEU 23 - HN LEU 90 25.000% * 54.8077% (0.98 0.55 0.15) = 54.808% kept HB THR 39 - HN LEU 90 25.000% * 26.8835% (0.83 0.32 0.55) = 26.884% kept HA GLU- 18 - HN LEU 90 25.000% * 10.3964% (0.87 0.12 0.02) = 10.396% kept HA ASN 15 - HN LEU 90 25.000% * 7.9124% (0.22 0.35 0.22) = 7.912% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 500 (2.11, 9.30, 121.49 ppm): 13 chemical-shift based assignments, quality = 0.556, support = 2.91, residual support = 13.9: * HB2 ASP- 28 - HN ILE 29 7.692% * 51.1399% (0.34 4.95 26.71) = 51.140% kept HG2 PRO 112 - HN ILE 29 7.692% * 29.1959% (0.86 1.11 0.85) = 29.196% kept HG2 GLU- 45 - HN ILE 29 7.692% * 8.0235% (0.65 0.41 0.15) = 8.023% kept HB VAL 105 - HN ILE 29 7.692% * 6.1927% (0.83 0.24 0.38) = 6.193% kept HB3 LEU 43 - HN ILE 29 7.692% * 2.6562% (0.96 0.09 0.02) = 2.656% kept HB VAL 87 - HN ILE 29 7.692% * 0.6000% (0.99 0.02 0.02) = 0.600% HB2 GLU- 56 - HN ILE 29 7.692% * 0.5934% (0.98 0.02 0.02) = 0.593% HB3 GLU- 75 - HN ILE 29 7.692% * 0.5732% (0.95 0.02 0.02) = 0.573% HB VAL 65 - HN ILE 29 7.692% * 0.3672% (0.61 0.02 0.02) = 0.367% HB2 MET 118 - HN ILE 29 7.692% * 0.2489% (0.41 0.02 0.02) = 0.249% HB VAL 125 - HN ILE 29 7.692% * 0.1683% (0.28 0.02 0.02) = 0.168% HB2 LYS+ 110 - HN ILE 29 7.692% * 0.1348% (0.22 0.02 0.02) = 0.135% HD3 LYS+ 110 - HN ILE 29 7.692% * 0.1060% (0.17 0.02 0.02) = 0.106% Peak 502 (1.55, 9.30, 121.49 ppm): 9 chemical-shift based assignments, quality = 0.923, support = 4.76, residual support = 53.5: * HG13 ILE 29 - HN ILE 29 11.111% * 45.5008% (1.00 5.57 61.32) = 45.501% kept HG12 ILE 29 - HN ILE 29 11.111% * 38.6708% (0.94 5.01 61.32) = 38.671% kept HG LEU 17 - HN ILE 29 11.111% * 11.0103% (0.57 2.38 17.08) = 11.010% kept QG2 THR 24 - HN ILE 29 11.111% * 4.1936% (0.98 0.52 0.62) = 4.194% kept HB3 LEU 90 - HN ILE 29 11.111% * 0.1600% (0.98 0.02 0.02) = 0.160% QB ALA 42 - HN ILE 29 11.111% * 0.1544% (0.94 0.02 0.02) = 0.154% HD3 LYS+ 81 - HN ILE 29 11.111% * 0.1186% (0.73 0.02 0.02) = 0.119% HD3 LYS+ 60 - HN ILE 29 11.111% * 0.1056% (0.65 0.02 0.02) = 0.106% HB ILE 19 - HN ILE 29 11.111% * 0.0859% (0.53 0.02 0.02) = 0.086% Peak 503 (0.95, 9.30, 121.49 ppm): 10 chemical-shift based assignments, quality = 0.926, support = 4.97, residual support = 51.9: * QG2 ILE 29 - HN ILE 29 10.000% * 80.3591% (0.99 5.89 61.32) = 80.359% kept QD1 LEU 17 - HN ILE 29 10.000% * 15.2750% (0.73 1.53 17.08) = 15.275% kept QG1 VAL 105 - HN ILE 29 10.000% * 2.5779% (0.76 0.24 0.38) = 2.578% kept QG2 VAL 105 - HN ILE 29 10.000% * 0.7643% (0.69 0.08 0.38) = 0.764% QG2 VAL 73 - HN ILE 29 10.000% * 0.2748% (1.00 0.02 0.02) = 0.275% QG2 VAL 62 - HN ILE 29 10.000% * 0.2730% (0.99 0.02 0.02) = 0.273% QG2 VAL 99 - HN ILE 29 10.000% * 0.2000% (0.73 0.02 0.02) = 0.200% HG12 ILE 68 - HN ILE 29 10.000% * 0.1132% (0.41 0.02 0.02) = 0.113% HG3 LYS+ 110 - HN ILE 29 10.000% * 0.0939% (0.34 0.02 0.02) = 0.094% QG2 VAL 80 - HN ILE 29 10.000% * 0.0687% (0.25 0.02 0.02) = 0.069% Peak 504 (8.93, 9.30, 121.49 ppm): 5 chemical-shift based assignments, quality = 0.684, support = 3.58, residual support = 28.4: * T HN PHE 21 - HN ILE 29 20.000% * 81.8514% (0.73 10.00 3.34 30.76) = 81.851% kept HN ARG+ 22 - HN ILE 29 20.000% * 15.7213% (0.53 1.00 5.30 20.80) = 15.721% kept HN THR 96 - HN ILE 29 20.000% * 1.2770% (0.61 1.00 0.37 0.02) = 1.277% kept HN GLN 102 - HN ILE 29 20.000% * 0.9253% (0.37 1.00 0.44 0.02) = 0.925% HN LEU 17 - HN ILE 29 20.000% * 0.2250% (0.17 1.00 0.23 17.08) = 0.225% Peak 505 (2.97, 9.30, 121.49 ppm): 4 chemical-shift based assignments, quality = 0.819, support = 3.63, residual support = 26.1: * HB2 PHE 21 - HN ILE 29 25.000% * 85.0136% (0.87 4.15 30.76) = 85.014% kept HE3 LYS+ 113 - HN ILE 29 25.000% * 10.7190% (0.57 0.80 0.02) = 10.719% kept HE2 LYS+ 117 - HN ILE 29 25.000% * 4.1362% (0.53 0.33 0.02) = 4.136% kept HE3 LYS+ 55 - HN ILE 29 25.000% * 0.1312% (0.28 0.02 0.02) = 0.131% Peak 506 (1.37, 8.21, 121.57 ppm): 8 chemical-shift based assignments, quality = 0.613, support = 1.64, residual support = 4.48: HB3 LEU 17 - HN VAL 94 12.500% * 46.8943% (0.56 2.68 7.18) = 46.894% kept * HB3 LYS+ 20 - HN VAL 94 12.500% * 24.2616% (0.71 1.10 4.01) = 24.262% kept HG3 LYS+ 81 - HN VAL 94 12.500% * 9.8575% (0.46 0.68 0.28) = 9.858% kept HG2 LYS+ 78 - HN VAL 94 12.500% * 9.3511% (0.82 0.37 0.02) = 9.351% kept QG2 THR 39 - HN VAL 94 12.500% * 4.6986% (0.76 0.20 0.02) = 4.699% kept HD3 LYS+ 20 - HN VAL 94 12.500% * 2.8378% (0.28 0.33 4.01) = 2.838% kept HG13 ILE 68 - HN VAL 94 12.500% * 1.6419% (0.63 0.08 0.02) = 1.642% kept QB ALA 11 - HN VAL 94 12.500% * 0.4571% (0.74 0.02 0.02) = 0.457% Peak 507 (4.27, 8.21, 121.57 ppm): 19 chemical-shift based assignments, quality = 0.768, support = 3.85, residual support = 50.7: * O HA VAL 94 - HN VAL 94 5.263% * 95.1186% (0.79 10.0 4.02 53.27) = 95.119% kept HA LEU 90 - HN VAL 94 5.263% * 2.0265% (0.63 1.0 0.54 0.02) = 2.027% kept HB3 SER 49 - HN VAL 94 5.263% * 1.3306% (0.16 1.0 1.38 0.02) = 1.331% kept HA GLU- 56 - HN VAL 94 5.263% * 0.5836% (0.80 1.0 0.12 1.53) = 0.584% HA ARG+ 84 - HN VAL 94 5.263% * 0.0966% (0.80 1.0 0.02 0.02) = 0.097% HA SER 85 - HN VAL 94 5.263% * 0.0966% (0.80 1.0 0.02 0.02) = 0.097% HA PRO 52 - HN VAL 94 5.263% * 0.0966% (0.80 1.0 0.02 0.02) = 0.097% HA GLU- 64 - HN VAL 94 5.263% * 0.0884% (0.74 1.0 0.02 0.02) = 0.088% HA GLU- 75 - HN VAL 94 5.263% * 0.0855% (0.71 1.0 0.02 0.02) = 0.085% HA VAL 122 - HN VAL 94 5.263% * 0.0823% (0.69 1.0 0.02 0.02) = 0.082% HA ASN 119 - HN VAL 94 5.263% * 0.0558% (0.46 1.0 0.02 0.02) = 0.056% HA GLU- 107 - HN VAL 94 5.263% * 0.0558% (0.46 1.0 0.02 0.02) = 0.056% HB3 CYS 121 - HN VAL 94 5.263% * 0.0558% (0.46 1.0 0.02 0.02) = 0.056% HA ASN 76 - HN VAL 94 5.263% * 0.0519% (0.43 1.0 0.02 0.02) = 0.052% HA ALA 11 - HN VAL 94 5.263% * 0.0442% (0.37 1.0 0.02 0.02) = 0.044% HA THR 106 - HN VAL 94 5.263% * 0.0442% (0.37 1.0 0.02 0.02) = 0.044% HA CYS 121 - HN VAL 94 5.263% * 0.0405% (0.34 1.0 0.02 0.02) = 0.041% HA PRO 59 - HN VAL 94 5.263% * 0.0246% (0.20 1.0 0.02 0.02) = 0.025% HA ASP- 36 - HN VAL 94 5.263% * 0.0219% (0.18 1.0 0.02 0.02) = 0.022% Peak 508 (0.80, 8.21, 121.57 ppm): 7 chemical-shift based assignments, quality = 0.425, support = 3.3, residual support = 27.3: QD2 LEU 17 - HN VAL 94 14.286% * 46.8835% (0.50 2.82 7.18) = 46.884% kept * QG1 VAL 94 - HN VAL 94 14.286% * 44.8697% (0.31 4.36 53.27) = 44.870% kept QD2 LEU 67 - HN VAL 94 14.286% * 6.9153% (0.78 0.27 0.02) = 6.915% kept QD1 ILE 100 - HN VAL 94 14.286% * 0.4581% (0.69 0.02 0.02) = 0.458% QD2 LEU 90 - HN VAL 94 14.286% * 0.3982% (0.60 0.02 0.02) = 0.398% QG1 VAL 13 - HN VAL 94 14.286% * 0.3792% (0.14 0.08 0.02) = 0.379% QD1 ILE 29 - HN VAL 94 14.286% * 0.0960% (0.14 0.02 0.02) = 0.096% Peak 509 (8.21, 8.21, 121.57 ppm): 1 diagonal assignment: * HN VAL 94 - HN VAL 94 (0.69) kept Peak 510 (1.80, 8.21, 121.57 ppm): 12 chemical-shift based assignments, quality = 0.568, support = 1.29, residual support = 1.57: HB3 LYS+ 63 - HN VAL 94 8.333% * 40.5972% (0.87 0.84 0.45) = 40.597% kept HB3 GLU- 18 - HN VAL 94 8.333% * 35.5466% (0.27 2.38 3.64) = 35.547% kept HG3 LYS+ 63 - HN VAL 94 8.333% * 19.2299% (0.63 0.55 0.45) = 19.230% kept HB3 LYS+ 108 - HN VAL 94 8.333% * 0.9642% (0.87 0.02 0.02) = 0.964% HG2 PRO 31 - HN VAL 94 8.333% * 0.7385% (0.66 0.02 0.02) = 0.738% HB2 GLU- 109 - HN VAL 94 8.333% * 0.5861% (0.53 0.02 0.02) = 0.586% HG3 ARG+ 53 - HN VAL 94 8.333% * 0.5471% (0.49 0.02 0.02) = 0.547% HD3 LYS+ 72 - HN VAL 94 8.333% * 0.4703% (0.42 0.02 0.02) = 0.470% HB2 ARG+ 84 - HN VAL 94 8.333% * 0.3627% (0.33 0.02 0.02) = 0.363% HG3 LYS+ 108 - HN VAL 94 8.333% * 0.3296% (0.30 0.02 0.02) = 0.330% HG2 ARG+ 84 - HN VAL 94 8.333% * 0.3296% (0.30 0.02 0.02) = 0.330% HD3 LYS+ 117 - HN VAL 94 8.333% * 0.2982% (0.27 0.02 0.02) = 0.298% Peak 512 (1.69, 8.44, 121.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 513 (4.85, 8.49, 121.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 514 (1.77, 8.49, 121.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 515 (4.25, 8.49, 121.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 516 (4.36, 8.49, 121.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 517 (1.37, 8.21, 121.46 ppm): 16 chemical-shift based assignments, quality = 0.677, support = 1.63, residual support = 4.43: HB3 LEU 17 - HN VAL 94 6.250% * 46.5926% (0.65 2.68 7.18) = 46.593% kept HB3 LYS+ 20 - HN VAL 94 6.250% * 23.5758% (0.80 1.10 4.01) = 23.576% kept HG3 LYS+ 81 - HN VAL 94 6.250% * 9.9256% (0.54 0.68 0.28) = 9.926% kept HG2 LYS+ 78 - HN VAL 94 6.250% * 8.7305% (0.89 0.37 0.02) = 8.730% kept QG2 THR 39 - HN VAL 94 6.250% * 4.2904% (0.80 0.20 0.02) = 4.290% kept HD3 LYS+ 20 - HN VAL 94 6.250% * 2.4134% (0.28 0.33 4.01) = 2.413% kept HG13 ILE 68 - HN VAL 105 6.250% * 1.9074% (0.17 0.43 0.60) = 1.907% kept HG13 ILE 68 - HN VAL 94 6.250% * 1.4663% (0.65 0.08 0.02) = 1.466% kept QB ALA 11 - HN VAL 94 6.250% * 0.4422% (0.83 0.02 0.02) = 0.442% HG2 LYS+ 78 - HN VAL 105 6.250% * 0.1215% (0.23 0.02 0.02) = 0.122% QB ALA 11 - HN VAL 105 6.250% * 0.1132% (0.21 0.02 0.02) = 0.113% QG2 THR 39 - HN VAL 105 6.250% * 0.1100% (0.21 0.02 0.02) = 0.110% HB3 LYS+ 20 - HN VAL 105 6.250% * 0.1100% (0.21 0.02 0.02) = 0.110% HB3 LEU 17 - HN VAL 105 6.250% * 0.0890% (0.17 0.02 0.02) = 0.089% HG3 LYS+ 81 - HN VAL 105 6.250% * 0.0744% (0.14 0.02 0.31) = 0.074% HD3 LYS+ 20 - HN VAL 105 6.250% * 0.0378% (0.07 0.02 0.02) = 0.038% Reference assignment not found: QB ALA 93 - HN VAL 94 Peak 518 (1.84, 8.21, 121.46 ppm): 26 chemical-shift based assignments, quality = 0.454, support = 3.5, residual support = 40.3: * O HB VAL 94 - HN VAL 94 3.846% * 71.3240% (0.53 10.0 3.93 53.27) = 71.324% kept O HB2 PRO 104 - HN VAL 105 3.846% * 24.6648% (0.18 10.0 2.77 9.44) = 24.665% kept HB2 LYS+ 66 - HN VAL 94 3.846% * 2.3028% (0.81 1.0 0.43 0.02) = 2.303% kept HB3 LYS+ 60 - HN VAL 94 3.846% * 1.0677% (0.76 1.0 0.21 0.02) = 1.068% kept HB3 LYS+ 72 - HN VAL 94 3.846% * 0.0989% (0.74 1.0 0.02 0.02) = 0.099% HB2 PRO 104 - HN VAL 94 3.846% * 0.0956% (0.72 1.0 0.02 0.02) = 0.096% HB2 PRO 59 - HN VAL 94 3.846% * 0.0801% (0.60 1.0 0.02 0.02) = 0.080% HD2 PRO 59 - HN VAL 94 3.846% * 0.0669% (0.50 1.0 0.02 0.02) = 0.067% HD3 LYS+ 117 - HN VAL 94 3.846% * 0.0307% (0.23 1.0 0.02 0.02) = 0.031% HB2 LYS+ 66 - HN VAL 105 3.846% * 0.0279% (0.21 1.0 0.02 0.02) = 0.028% HG3 LYS+ 108 - HN VAL 94 3.846% * 0.0275% (0.21 1.0 0.02 0.02) = 0.027% HB3 LYS+ 60 - HN VAL 105 3.846% * 0.0262% (0.20 1.0 0.02 0.02) = 0.026% HB3 LYS+ 72 - HN VAL 105 3.846% * 0.0255% (0.19 1.0 0.02 0.02) = 0.026% HB2 PRO 59 - HN VAL 105 3.846% * 0.0206% (0.15 1.0 0.02 0.02) = 0.021% HB3 ARG+ 84 - HN VAL 94 3.846% * 0.0193% (0.14 1.0 0.02 0.02) = 0.019% HB VAL 94 - HN VAL 105 3.846% * 0.0184% (0.14 1.0 0.02 0.02) = 0.018% HG2 PRO 112 - HN VAL 94 3.846% * 0.0183% (0.14 1.0 0.02 0.02) = 0.018% HD2 PRO 59 - HN VAL 105 3.846% * 0.0172% (0.13 1.0 0.02 0.02) = 0.017% HD3 LYS+ 72 - HN VAL 94 3.846% * 0.0170% (0.13 1.0 0.02 0.02) = 0.017% HD3 PRO 52 - HN VAL 94 3.846% * 0.0170% (0.13 1.0 0.02 0.02) = 0.017% HD3 LYS+ 117 - HN VAL 105 3.846% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HG3 LYS+ 108 - HN VAL 105 3.846% * 0.0071% (0.05 1.0 0.02 0.02) = 0.007% HB3 ARG+ 84 - HN VAL 105 3.846% * 0.0050% (0.04 1.0 0.02 0.02) = 0.005% HG2 PRO 112 - HN VAL 105 3.846% * 0.0047% (0.04 1.0 0.02 0.02) = 0.005% HD3 LYS+ 72 - HN VAL 105 3.846% * 0.0044% (0.03 1.0 0.02 0.02) = 0.004% HD3 PRO 52 - HN VAL 105 3.846% * 0.0044% (0.03 1.0 0.02 0.02) = 0.004% Peak 519 (0.83, 8.21, 121.46 ppm): 16 chemical-shift based assignments, quality = 0.69, support = 3.67, residual support = 36.3: * QG1 VAL 94 - HN VAL 94 6.250% * 64.0469% (0.78 4.36 53.27) = 64.047% kept QD2 LEU 17 - HN VAL 94 6.250% * 30.8824% (0.58 2.82 7.18) = 30.882% kept QG1 VAL 13 - HN VAL 94 6.250% * 1.3342% (0.89 0.08 0.02) = 1.334% kept QD2 LEU 67 - HN VAL 94 6.250% * 1.2553% (0.25 0.27 0.02) = 1.255% kept QG1 VAL 94 - HN VAL 105 6.250% * 0.9549% (0.20 0.25 0.02) = 0.955% QD1 ILE 29 - HN VAL 94 6.250% * 0.3379% (0.89 0.02 0.02) = 0.338% HG2 LYS+ 117 - HN VAL 94 6.250% * 0.3204% (0.85 0.02 0.02) = 0.320% QG2 VAL 13 - HN VAL 94 6.250% * 0.2459% (0.65 0.02 0.02) = 0.246% QD2 LEU 90 - HN VAL 94 6.250% * 0.1782% (0.47 0.02 0.02) = 0.178% QG1 VAL 13 - HN VAL 105 6.250% * 0.0865% (0.23 0.02 0.02) = 0.087% QD1 ILE 29 - HN VAL 105 6.250% * 0.0865% (0.23 0.02 0.38) = 0.087% HG2 LYS+ 117 - HN VAL 105 6.250% * 0.0820% (0.22 0.02 0.02) = 0.082% QG2 VAL 13 - HN VAL 105 6.250% * 0.0630% (0.17 0.02 0.02) = 0.063% QD2 LEU 17 - HN VAL 105 6.250% * 0.0561% (0.15 0.02 0.02) = 0.056% QD2 LEU 90 - HN VAL 105 6.250% * 0.0456% (0.12 0.02 0.02) = 0.046% QD2 LEU 67 - HN VAL 105 6.250% * 0.0241% (0.06 0.02 0.02) = 0.024% Peak 520 (8.21, 8.21, 121.46 ppm): 2 diagonal assignments: * HN VAL 94 - HN VAL 94 (0.72) kept HN VAL 105 - HN VAL 105 (0.19) kept Peak 521 (4.34, 8.21, 121.46 ppm): 8 chemical-shift based assignments, quality = 0.248, support = 2.93, residual support = 11.0: * O HA ALA 93 - HN VAL 94 12.500% * 99.7138% (0.25 10.0 2.94 11.08) = 99.714% kept HA2 GLY 26 - HN VAL 94 12.500% * 0.0894% (0.22 1.0 0.02 0.02) = 0.089% HB THR 61 - HN VAL 94 12.500% * 0.0628% (0.16 1.0 0.02 0.02) = 0.063% HA ILE 29 - HN VAL 94 12.500% * 0.0553% (0.14 1.0 0.02 0.02) = 0.055% HA ALA 93 - HN VAL 105 12.500% * 0.0255% (0.06 1.0 0.02 0.02) = 0.026% HA2 GLY 26 - HN VAL 105 12.500% * 0.0229% (0.06 1.0 0.02 0.02) = 0.023% HB THR 61 - HN VAL 105 12.500% * 0.0161% (0.04 1.0 0.02 0.02) = 0.016% HA ILE 29 - HN VAL 105 12.500% * 0.0142% (0.04 1.0 0.02 0.38) = 0.014% Peak 522 (4.55, 8.22, 121.46 ppm): 8 chemical-shift based assignments, quality = 0.735, support = 1.26, residual support = 5.25: HA LEU 17 - HN VAL 94 12.500% * 72.5331% (0.89 1.35 7.18) = 72.533% kept HA LYS+ 78 - HN VAL 94 12.500% * 14.0649% (0.56 0.42 0.02) = 14.065% kept HA ALA 103 - HN VAL 105 12.500% * 12.1973% (0.11 1.82 0.39) = 12.197% kept HA ALA 103 - HN VAL 94 12.500% * 0.5367% (0.44 0.02 0.02) = 0.537% HA LEU 17 - HN VAL 105 12.500% * 0.2680% (0.22 0.02 0.02) = 0.268% HA LYS+ 72 - HN VAL 94 12.500% * 0.1847% (0.15 0.02 0.02) = 0.185% HA LYS+ 78 - HN VAL 105 12.500% * 0.1692% (0.14 0.02 0.02) = 0.169% HA LYS+ 72 - HN VAL 105 12.500% * 0.0461% (0.04 0.02 0.02) = 0.046% Peak 523 (2.88, 8.22, 121.46 ppm): 6 chemical-shift based assignments, quality = 0.297, support = 0.303, residual support = 0.256: HE3 LYS+ 81 - HN VAL 94 16.667% * 87.7454% (0.31 0.34 0.28) = 87.745% kept HB3 ASN 57 - HN VAL 94 16.667% * 6.2247% (0.37 0.02 0.02) = 6.225% kept HB2 HIS+ 98 - HN VAL 94 16.667% * 2.5591% (0.15 0.02 0.02) = 2.559% kept HB3 ASN 57 - HN VAL 105 16.667% * 1.5540% (0.09 0.02 0.02) = 1.554% kept HE3 LYS+ 81 - HN VAL 105 16.667% * 1.2780% (0.08 0.02 0.31) = 1.278% kept HB2 HIS+ 98 - HN VAL 105 16.667% * 0.6389% (0.04 0.02 0.02) = 0.639% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 525 (8.81, 8.82, 121.40 ppm): 1 diagonal assignment: * HN LYS+ 32 - HN LYS+ 32 (0.89) kept Peak 526 (4.96, 8.82, 121.40 ppm): 5 chemical-shift based assignments, quality = 0.647, support = 0.882, residual support = 6.87: HA ALA 33 - HN LYS+ 32 20.000% * 38.6361% (0.48 1.42 17.00) = 38.636% kept HA ILE 101 - HN LYS+ 32 20.000% * 28.8367% (0.68 0.75 1.04) = 28.837% kept HA HIS+ 98 - HN LYS+ 32 20.000% * 18.3533% (0.94 0.35 0.02) = 18.353% kept HA MET 97 - HN LYS+ 32 20.000% * 13.9778% (0.64 0.39 0.02) = 13.978% kept HA SER 69 - HN LYS+ 32 20.000% * 0.1961% (0.17 0.02 0.02) = 0.196% Reference assignment not found: HA PRO 31 - HN LYS+ 32 Peak 527 (1.98, 8.82, 121.40 ppm): 12 chemical-shift based assignments, quality = 0.84, support = 0.32, residual support = 0.631: HB2 PRO 86 - HN LYS+ 32 8.333% * 49.6782% (0.99 0.41 1.25) = 49.678% kept HB VAL 73 - HN LYS+ 32 8.333% * 29.2666% (0.86 0.28 0.02) = 29.267% kept HB2 PRO 35 - HN LYS+ 32 8.333% * 9.6243% (0.25 0.32 0.02) = 9.624% kept HB3 GLU- 56 - HN LYS+ 32 8.333% * 2.3709% (0.98 0.02 0.02) = 2.371% kept HG3 PRO 104 - HN LYS+ 32 8.333% * 2.2328% (0.92 0.02 0.02) = 2.233% kept HB2 LYS+ 108 - HN LYS+ 32 8.333% * 2.1692% (0.89 0.02 0.02) = 2.169% kept HG2 PRO 112 - HN LYS+ 32 8.333% * 1.1547% (0.48 0.02 0.02) = 1.155% kept HB3 GLU- 109 - HN LYS+ 32 8.333% * 1.0844% (0.45 0.02 0.02) = 1.084% kept HB VAL 13 - HN LYS+ 32 8.333% * 0.8251% (0.34 0.02 0.02) = 0.825% HG3 PRO 116 - HN LYS+ 32 8.333% * 0.7466% (0.31 0.02 0.02) = 0.747% HB3 MET 118 - HN LYS+ 32 8.333% * 0.4236% (0.17 0.02 0.02) = 0.424% HB2 HIS+ 14 - HN LYS+ 32 8.333% * 0.4236% (0.17 0.02 0.02) = 0.424% Reference assignment not found: HB2 GLU- 18 - HN LYS+ 32 Peak 528 (1.58, 8.82, 121.40 ppm): 12 chemical-shift based assignments, quality = 0.751, support = 2.31, residual support = 33.5: * O HB3 LYS+ 32 - HN LYS+ 32 8.333% * 84.3584% (0.76 10.0 2.51 37.97) = 84.358% kept HB ILE 19 - HN LYS+ 32 8.333% * 4.9872% (0.89 1.0 1.01 0.49) = 4.987% kept HG LEU 17 - HN LYS+ 32 8.333% * 3.8141% (0.86 1.0 0.80 0.59) = 3.814% kept HD3 LYS+ 32 - HN LYS+ 32 8.333% * 3.8040% (0.28 1.0 2.48 37.97) = 3.804% kept HD3 LYS+ 60 - HN LYS+ 32 8.333% * 2.7438% (0.80 1.0 0.62 0.16) = 2.744% kept HD3 LYS+ 81 - HN LYS+ 32 8.333% * 0.0802% (0.72 1.0 0.02 0.02) = 0.080% QB ALA 42 - HN LYS+ 32 8.333% * 0.0495% (0.45 1.0 0.02 0.02) = 0.049% HG12 ILE 29 - HN LYS+ 32 8.333% * 0.0495% (0.45 1.0 0.02 0.02) = 0.049% HB3 LEU 90 - HN LYS+ 32 8.333% * 0.0414% (0.37 1.0 0.02 0.21) = 0.041% HG13 ILE 29 - HN LYS+ 32 8.333% * 0.0307% (0.28 1.0 0.02 0.02) = 0.031% QG2 THR 24 - HN LYS+ 32 8.333% * 0.0218% (0.20 1.0 0.02 0.02) = 0.022% HB3 PRO 52 - HN LYS+ 32 8.333% * 0.0193% (0.17 1.0 0.02 0.02) = 0.019% Peak 529 (4.46, 8.82, 121.40 ppm): 8 chemical-shift based assignments, quality = 0.518, support = 2.46, residual support = 34.2: * O HA LYS+ 32 - HN LYS+ 32 12.500% * 89.9632% (0.48 10.0 2.68 37.97) = 89.963% kept HA ILE 100 - HN LYS+ 32 12.500% * 4.9462% (0.86 1.0 0.62 0.02) = 4.946% kept HA GLN 102 - HN LYS+ 32 12.500% * 4.5983% (0.86 1.0 0.57 1.27) = 4.598% kept HA GLU- 50 - HN LYS+ 32 12.500% * 0.1706% (0.92 1.0 0.02 0.02) = 0.171% HA MET 118 - HN LYS+ 32 12.500% * 0.1412% (0.76 1.0 0.02 0.02) = 0.141% HA MET 126 - HN LYS+ 32 12.500% * 0.1270% (0.68 1.0 0.02 0.02) = 0.127% HB THR 24 - HN LYS+ 32 12.500% * 0.0285% (0.15 1.0 0.02 0.02) = 0.029% HA LYS+ 111 - HN LYS+ 32 12.500% * 0.0250% (0.13 1.0 0.02 0.02) = 0.025% Peak 530 (4.73, 8.82, 121.40 ppm): 4 chemical-shift based assignments, quality = 0.461, support = 1.87, residual support = 3.43: HA2 GLY 30 - HN LYS+ 32 25.000% * 58.4326% (0.41 2.71 5.73) = 58.433% kept * HA LYS+ 20 - HN LYS+ 32 25.000% * 24.6409% (0.72 0.65 0.16) = 24.641% kept HA THR 61 - HN LYS+ 32 25.000% * 11.5430% (0.22 0.99 0.40) = 11.543% kept HA THR 39 - HN LYS+ 32 25.000% * 5.3836% (0.34 0.30 0.02) = 5.384% kept Peak 531 (8.96, 8.82, 121.40 ppm): 6 chemical-shift based assignments, quality = 0.813, support = 0.61, residual support = 0.459: T HN LEU 17 - HN LYS+ 32 16.667% * 48.2937% (1.00 10.00 0.63 0.59) = 48.294% kept * T HN ILE 19 - HN LYS+ 32 16.667% * 34.8882% (0.60 10.00 0.75 0.49) = 34.888% kept T HN THR 96 - HN LYS+ 32 16.667% * 10.0769% (0.68 10.00 0.19 0.02) = 10.077% kept HN MET 97 - HN LYS+ 32 16.667% * 3.0308% (0.94 1.00 0.42 0.02) = 3.031% kept HN ARG+ 22 - HN LYS+ 32 16.667% * 2.0737% (0.76 1.00 0.35 0.02) = 2.074% kept HN PHE 21 - HN LYS+ 32 16.667% * 1.6367% (0.56 1.00 0.38 0.02) = 1.637% kept Peak 532 (7.31, 8.82, 121.40 ppm): 7 chemical-shift based assignments, quality = 0.627, support = 1.98, residual support = 17.3: QD PHE 34 - HN LYS+ 32 14.286% * 39.6334% (0.86 2.25 21.84) = 39.633% kept HZ PHE 34 - HN LYS+ 32 14.286% * 23.1800% (0.41 2.78 21.84) = 23.180% kept * QE PHE 34 - HN LYS+ 32 14.286% * 16.0559% (0.41 1.92 21.84) = 16.056% kept HN ILE 48 - HN LYS+ 32 14.286% * 7.2703% (0.52 0.68 0.12) = 7.270% kept HZ2 TRP 51 - HN LYS+ 32 14.286% * 7.2623% (0.41 0.87 1.20) = 7.262% kept HN VAL 47 - HN LYS+ 32 14.286% * 6.2141% (0.92 0.33 0.02) = 6.214% kept HN ARG+ 84 - HN LYS+ 32 14.286% * 0.3840% (0.94 0.02 0.02) = 0.384% Peak 535 (0.94, 8.30, 121.53 ppm): 10 chemical-shift based assignments, quality = 0.453, support = 1.6, residual support = 13.4: * QG2 VAL 99 - HN VAL 99 10.000% * 61.8200% (0.36 2.42 21.52) = 61.820% kept QD1 LEU 17 - HN VAL 99 10.000% * 20.0524% (0.76 0.37 0.32) = 20.052% kept QG2 VAL 80 - HN VAL 99 10.000% * 7.9053% (0.39 0.28 0.02) = 7.905% kept HG12 ILE 68 - HN VAL 99 10.000% * 4.3584% (0.55 0.11 0.02) = 4.358% kept QG1 VAL 105 - HN VAL 99 10.000% * 1.1003% (0.77 0.02 0.02) = 1.100% kept QG2 VAL 62 - HN VAL 99 10.000% * 1.0785% (0.76 0.02 1.04) = 1.078% kept QG2 VAL 105 - HN VAL 99 10.000% * 1.0524% (0.74 0.02 0.02) = 1.052% kept QG2 VAL 73 - HN VAL 99 10.000% * 0.9889% (0.70 0.02 0.02) = 0.989% QG2 ILE 29 - HN VAL 99 10.000% * 0.9523% (0.67 0.02 0.02) = 0.952% HG3 LYS+ 110 - HN VAL 99 10.000% * 0.6915% (0.49 0.02 0.02) = 0.691% Peak 536 (2.16, 8.30, 121.53 ppm): 10 chemical-shift based assignments, quality = 0.313, support = 2.38, residual support = 20.5: * O HB VAL 99 - HN VAL 99 10.000% * 95.0662% (0.31 10.0 2.49 21.52) = 95.066% kept HG2 GLN 102 - HN VAL 99 10.000% * 2.7589% (0.53 1.0 0.34 0.02) = 2.759% kept HB2 ASP- 82 - HN VAL 99 10.000% * 1.0258% (0.50 1.0 0.13 0.02) = 1.026% kept HG2 PRO 104 - HN VAL 99 10.000% * 0.2511% (0.82 1.0 0.02 0.02) = 0.251% HG2 PRO 112 - HN VAL 99 10.000% * 0.2424% (0.79 1.0 0.02 0.02) = 0.242% HB VAL 47 - HN VAL 99 10.000% * 0.2028% (0.66 1.0 0.02 0.26) = 0.203% HB3 LYS+ 78 - HN VAL 99 10.000% * 0.1639% (0.53 1.0 0.02 0.02) = 0.164% HB3 GLU- 75 - HN VAL 99 10.000% * 0.1285% (0.42 1.0 0.02 0.02) = 0.128% HB3 PRO 104 - HN VAL 99 10.000% * 0.1041% (0.34 1.0 0.02 0.02) = 0.104% HB2 ASP- 28 - HN VAL 99 10.000% * 0.0564% (0.18 1.0 0.02 0.44) = 0.056% Peak 537 (4.92, 8.30, 121.53 ppm): 2 chemical-shift based assignments, quality = 0.253, support = 0.793, residual support = 2.62: HA ILE 101 - HN VAL 99 50.000% * 96.3084% (0.25 0.82 2.72) = 96.308% kept HA ALA 33 - HN VAL 99 50.000% * 3.6916% (0.39 0.02 0.02) = 3.692% kept Peak 538 (3.15, 8.30, 121.53 ppm): 6 chemical-shift based assignments, quality = 0.669, support = 3.08, residual support = 12.3: * HB3 HIS+ 98 - HN VAL 99 16.667% * 93.0563% (0.70 3.29 13.22) = 93.056% kept HD3 ARG+ 84 - HN VAL 99 16.667% * 3.7995% (0.25 0.38 0.02) = 3.799% kept HB3 PHE 34 - HN VAL 99 16.667% * 2.5598% (0.49 0.13 0.02) = 2.560% kept HE3 LYS+ 117 - HN VAL 99 16.667% * 0.2015% (0.25 0.02 0.02) = 0.201% HE3 LYS+ 108 - HN VAL 99 16.667% * 0.2015% (0.25 0.02 0.02) = 0.201% HE3 LYS+ 72 - HN VAL 99 16.667% * 0.1815% (0.22 0.02 0.02) = 0.182% Peak 539 (2.89, 8.30, 121.53 ppm): 3 chemical-shift based assignments, quality = 0.207, support = 2.99, residual support = 10.5: * HB2 HIS+ 98 - HN VAL 99 33.333% * 79.0899% (0.18 3.65 13.22) = 79.090% kept HE3 LYS+ 81 - HN VAL 99 33.333% * 19.9628% (0.33 0.50 0.36) = 19.963% kept HB3 ASN 57 - HN VAL 99 33.333% * 0.9473% (0.39 0.02 0.02) = 0.947% Peak 540 (1.66, 8.30, 121.53 ppm): 10 chemical-shift based assignments, quality = 0.677, support = 2.91, residual support = 9.11: HB ILE 100 - HN VAL 99 10.000% * 45.3111% (0.81 3.34 13.75) = 45.311% kept HG2 ARG+ 22 - HN VAL 99 10.000% * 27.0320% (0.43 3.72 9.22) = 27.032% kept HB3 MET 97 - HN VAL 99 10.000% * 21.6561% (0.76 1.70 1.69) = 21.656% kept HB3 LYS+ 81 - HN VAL 99 10.000% * 5.0099% (0.60 0.50 0.36) = 5.010% kept HB3 LYS+ 66 - HN VAL 99 10.000% * 0.2741% (0.82 0.02 0.02) = 0.274% HG3 ARG+ 84 - HN VAL 99 10.000% * 0.2711% (0.81 0.02 0.02) = 0.271% HB3 MET 126 - HN VAL 99 10.000% * 0.2399% (0.71 0.02 0.02) = 0.240% HD3 LYS+ 55 - HN VAL 99 10.000% * 0.0943% (0.28 0.02 0.02) = 0.094% HG13 ILE 19 - HN VAL 99 10.000% * 0.0690% (0.21 0.02 0.02) = 0.069% HG2 PRO 52 - HN VAL 99 10.000% * 0.0427% (0.13 0.02 1.02) = 0.043% Peak 541 (0.58, 8.31, 121.53 ppm): 3 chemical-shift based assignments, quality = 0.608, support = 2.74, residual support = 10.7: * QD1 LEU 23 - HN VAL 99 33.333% * 72.0527% (0.69 3.05 13.83) = 72.053% kept QD1 ILE 101 - HN VAL 99 33.333% * 27.3933% (0.41 1.98 2.72) = 27.393% kept QG2 VAL 122 - HN VAL 99 33.333% * 0.5540% (0.81 0.02 0.02) = 0.554% Peak 542 (4.98, 8.30, 121.53 ppm): 5 chemical-shift based assignments, quality = 0.304, support = 2.63, residual support = 9.24: * O HA HIS+ 98 - HN VAL 99 20.000% * 65.6253% (0.13 10.0 3.00 13.22) = 65.625% kept HA MET 97 - HN VAL 99 20.000% * 33.4825% (0.66 1.0 1.97 1.69) = 33.483% kept HA SER 69 - HN VAL 99 20.000% * 0.4105% (0.79 1.0 0.02 0.02) = 0.410% HA PRO 31 - HN VAL 99 20.000% * 0.2580% (0.50 1.0 0.02 0.02) = 0.258% HA ILE 68 - HN VAL 99 20.000% * 0.2238% (0.43 1.0 0.02 0.02) = 0.224% Peak 543 (4.76, 8.46, 121.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 544 (4.35, 8.46, 121.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 545 (8.08, 8.09, 121.23 ppm): 1 diagonal assignment: * HN LYS+ 110 - HN LYS+ 110 (0.86) kept Peak 546 (1.61, 8.09, 121.23 ppm): 10 chemical-shift based assignments, quality = 0.78, support = 2.1, residual support = 12.1: * HG2 LYS+ 110 - HN LYS+ 110 10.000% * 75.8833% (0.87 2.65 15.90) = 75.883% kept HG12 ILE 101 - HN LYS+ 110 10.000% * 8.1132% (0.42 0.58 0.77) = 8.113% kept HD3 LYS+ 32 - HN LYS+ 110 10.000% * 8.0149% (0.78 0.31 0.02) = 8.015% kept HB3 LYS+ 32 - HN LYS+ 110 10.000% * 4.6818% (0.36 0.40 0.02) = 4.682% kept HG LEU 43 - HN LYS+ 110 10.000% * 1.4458% (0.46 0.10 0.11) = 1.446% kept HB3 PRO 52 - HN LYS+ 110 10.000% * 0.5623% (0.85 0.02 0.02) = 0.562% HG3 LYS+ 78 - HN LYS+ 110 10.000% * 0.4593% (0.70 0.02 0.02) = 0.459% HB VAL 122 - HN LYS+ 110 10.000% * 0.3018% (0.46 0.02 0.02) = 0.302% HB ILE 68 - HN LYS+ 110 10.000% * 0.3018% (0.46 0.02 0.02) = 0.302% HG LEU 23 - HN LYS+ 110 10.000% * 0.2358% (0.36 0.02 0.02) = 0.236% Peak 547 (8.07, 8.08, 121.15 ppm): 1 diagonal assignment: * HN LYS+ 110 - HN LYS+ 110 (0.68) kept Peak 548 (2.21, 8.08, 121.15 ppm): 14 chemical-shift based assignments, quality = 0.623, support = 1.76, residual support = 3.79: * HG3 GLU- 109 - HN LYS+ 110 7.143% * 73.2831% (0.56 2.35 5.17) = 73.283% kept HG3 MET 126 - HN LYS+ 110 7.143% * 13.3464% (0.98 0.24 0.02) = 13.346% kept HG3 GLU- 18 - HN LYS+ 110 7.143% * 3.7355% (0.79 0.08 0.02) = 3.735% kept HG3 GLN 102 - HN LYS+ 110 7.143% * 3.4413% (0.68 0.09 0.02) = 3.441% kept HG2 PRO 112 - HN LYS+ 110 7.143% * 1.1022% (0.98 0.02 0.02) = 1.102% kept HG3 MET 97 - HN LYS+ 110 7.143% * 1.0439% (0.93 0.02 0.02) = 1.044% kept HA1 GLY 58 - HN LYS+ 110 7.143% * 1.0439% (0.93 0.02 0.02) = 1.044% kept HB2 GLU- 50 - HN LYS+ 110 7.143% * 0.9573% (0.86 0.02 0.02) = 0.957% HG2 MET 126 - HN LYS+ 110 7.143% * 0.6694% (0.60 0.02 0.02) = 0.669% HB2 PRO 52 - HN LYS+ 110 7.143% * 0.6248% (0.56 0.02 0.02) = 0.625% HB3 GLU- 45 - HN LYS+ 110 7.143% * 0.2184% (0.20 0.02 0.11) = 0.218% HB VAL 99 - HN LYS+ 110 7.143% * 0.1933% (0.17 0.02 0.02) = 0.193% HG3 GLN 16 - HN LYS+ 110 7.143% * 0.1703% (0.15 0.02 0.02) = 0.170% HB3 PRO 104 - HN LYS+ 110 7.143% * 0.1703% (0.15 0.02 0.02) = 0.170% Peak 549 (4.22, 8.08, 121.15 ppm): 10 chemical-shift based assignments, quality = 0.895, support = 1.88, residual support = 4.82: * O HA GLU- 109 - HN LYS+ 110 10.000% * 92.9650% (0.91 10.0 1.95 5.17) = 92.965% kept HA GLU- 12 - HN LYS+ 110 10.000% * 3.4570% (0.98 1.0 0.68 0.02) = 3.457% kept HA LYS+ 108 - HN LYS+ 110 10.000% * 3.1767% (0.48 1.0 1.26 0.39) = 3.177% kept HA SER 49 - HN LYS+ 110 10.000% * 0.0789% (0.75 1.0 0.02 0.02) = 0.079% HA ALA 42 - HN LYS+ 110 10.000% * 0.0709% (0.68 1.0 0.02 0.34) = 0.071% HA ASP- 82 - HN LYS+ 110 10.000% * 0.0668% (0.64 1.0 0.02 0.02) = 0.067% HB3 SER 49 - HN LYS+ 110 10.000% * 0.0584% (0.56 1.0 0.02 0.02) = 0.058% HA GLU- 10 - HN LYS+ 110 10.000% * 0.0502% (0.48 1.0 0.02 0.02) = 0.050% HA GLU- 54 - HN LYS+ 110 10.000% * 0.0502% (0.48 1.0 0.02 0.02) = 0.050% HA PRO 59 - HN LYS+ 110 10.000% * 0.0257% (0.25 1.0 0.02 0.02) = 0.026% Peak 550 (1.61, 8.08, 121.15 ppm): 10 chemical-shift based assignments, quality = 0.883, support = 2.1, residual support = 12.1: * HG2 LYS+ 110 - HN LYS+ 110 10.000% * 75.7921% (0.99 2.65 15.90) = 75.792% kept HG12 ILE 101 - HN LYS+ 110 10.000% * 8.7394% (0.52 0.58 0.77) = 8.739% kept HD3 LYS+ 32 - HN LYS+ 110 10.000% * 7.7257% (0.86 0.31 0.02) = 7.726% kept HB3 LYS+ 32 - HN LYS+ 110 10.000% * 4.2595% (0.37 0.40 0.02) = 4.259% kept HG LEU 43 - HN LYS+ 110 10.000% * 1.5504% (0.56 0.10 0.11) = 1.550% kept HB3 PRO 52 - HN LYS+ 110 10.000% * 0.5517% (0.95 0.02 0.02) = 0.552% HG3 LYS+ 78 - HN LYS+ 110 10.000% * 0.4775% (0.82 0.02 0.02) = 0.478% HB VAL 122 - HN LYS+ 110 10.000% * 0.3237% (0.56 0.02 0.02) = 0.324% HB ILE 68 - HN LYS+ 110 10.000% * 0.3237% (0.56 0.02 0.02) = 0.324% HG LEU 23 - HN LYS+ 110 10.000% * 0.2563% (0.44 0.02 0.02) = 0.256% Peak 551 (4.75, 8.08, 121.15 ppm): 2 chemical-shift based assignments, quality = 0.156, support = 0.02, residual support = 0.02: HA ASN 15 - HN LYS+ 110 50.000% * 56.4090% (0.17 0.02 0.02) = 56.409% kept HA LYS+ 20 - HN LYS+ 110 50.000% * 43.5910% (0.13 0.02 0.02) = 43.591% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 554 (2.02, 8.21, 121.12 ppm): 30 chemical-shift based assignments, quality = 0.352, support = 1.11, residual support = 1.35: HB2 GLU- 18 - HN VAL 94 3.333% * 36.4733% (0.15 2.31 3.64) = 36.473% kept HG3 GLU- 64 - HN VAL 94 3.333% * 17.1542% (0.14 1.18 0.02) = 17.154% kept HB3 GLU- 107 - HN VAL 105 3.333% * 12.8263% (0.92 0.13 0.11) = 12.826% kept HB3 GLU- 64 - HN VAL 94 3.333% * 6.6497% (0.16 0.40 0.02) = 6.650% kept HB3 GLU- 75 - HN VAL 94 3.333% * 3.9391% (0.07 0.53 0.02) = 3.939% kept HG2 PRO 116 - HN VAL 105 3.333% * 1.9113% (0.91 0.02 0.02) = 1.911% kept HB3 PRO 31 - HN VAL 105 3.333% * 1.8610% (0.89 0.02 0.02) = 1.861% kept HB3 GLU- 64 - HN VAL 105 3.333% * 1.7801% (0.85 0.02 0.02) = 1.780% kept HB3 GLU- 10 - HN VAL 105 3.333% * 1.7801% (0.85 0.02 0.02) = 1.780% kept HB2 GLU- 18 - HN VAL 105 3.333% * 1.6727% (0.80 0.02 0.02) = 1.673% kept HG3 PRO 112 - HN VAL 105 3.333% * 1.6107% (0.77 0.02 0.02) = 1.611% kept HB3 GLU- 54 - HN VAL 105 3.333% * 1.6107% (0.77 0.02 0.02) = 1.611% kept HG3 GLU- 64 - HN VAL 105 3.333% * 1.5441% (0.74 0.02 0.02) = 1.544% kept HB3 MET 118 - HN VAL 105 3.333% * 1.4737% (0.71 0.02 0.02) = 1.474% kept HB2 HIS+ 14 - HN VAL 105 3.333% * 1.4737% (0.71 0.02 0.02) = 1.474% kept HG2 PRO 112 - HN VAL 105 3.333% * 1.1461% (0.55 0.02 0.02) = 1.146% kept HB3 LYS+ 110 - HN VAL 105 3.333% * 0.9387% (0.45 0.02 0.02) = 0.939% HB3 GLU- 75 - HN VAL 105 3.333% * 0.7867% (0.38 0.02 0.02) = 0.787% HB3 GLU- 107 - HN VAL 94 3.333% * 0.3628% (0.17 0.02 0.02) = 0.363% HG2 PRO 116 - HN VAL 94 3.333% * 0.3604% (0.17 0.02 0.02) = 0.360% HB3 PRO 31 - HN VAL 94 3.333% * 0.3509% (0.17 0.02 0.02) = 0.351% HG3 PRO 86 - HN VAL 105 3.333% * 0.3377% (0.16 0.02 0.02) = 0.338% HB3 GLU- 10 - HN VAL 94 3.333% * 0.3357% (0.16 0.02 0.02) = 0.336% HB3 GLU- 54 - HN VAL 94 3.333% * 0.3037% (0.15 0.02 0.02) = 0.304% HG3 PRO 112 - HN VAL 94 3.333% * 0.3037% (0.15 0.02 0.02) = 0.304% HB2 HIS+ 14 - HN VAL 94 3.333% * 0.2779% (0.13 0.02 0.02) = 0.278% HB3 MET 118 - HN VAL 94 3.333% * 0.2779% (0.13 0.02 0.02) = 0.278% HG2 PRO 112 - HN VAL 94 3.333% * 0.2161% (0.10 0.02 0.02) = 0.216% HB3 LYS+ 110 - HN VAL 94 3.333% * 0.1770% (0.08 0.02 0.10) = 0.177% HG3 PRO 86 - HN VAL 94 3.333% * 0.0637% (0.03 0.02 0.02) = 0.064% Peak 555 (4.38, 8.22, 121.12 ppm): 28 chemical-shift based assignments, quality = 0.463, support = 2.69, residual support = 9.55: * O HA PRO 104 - HN VAL 105 3.571% * 94.3716% (0.49 10.0 2.78 9.44) = 94.372% kept HA THR 95 - HN VAL 94 3.571% * 2.8512% (0.12 1.0 2.52 22.32) = 2.851% kept HA THR 95 - HN VAL 105 3.571% * 0.9362% (0.61 1.0 0.16 0.02) = 0.936% HA ALA 91 - HN VAL 105 3.571% * 0.1934% (1.00 1.0 0.02 0.02) = 0.193% HA SER 88 - HN VAL 105 3.571% * 0.1871% (0.97 1.0 0.02 0.02) = 0.187% HA SER 27 - HN VAL 105 3.571% * 0.1834% (0.95 1.0 0.02 0.02) = 0.183% HA ALA 37 - HN VAL 105 3.571% * 0.1790% (0.92 1.0 0.02 0.02) = 0.179% HA LYS+ 60 - HN VAL 105 3.571% * 0.1619% (0.84 1.0 0.02 0.02) = 0.162% HA TRP 51 - HN VAL 105 3.571% * 0.1552% (0.80 1.0 0.02 0.02) = 0.155% HA ASN 57 - HN VAL 105 3.571% * 0.1254% (0.65 1.0 0.02 0.02) = 0.125% HB THR 61 - HN VAL 105 3.571% * 0.1098% (0.57 1.0 0.02 0.02) = 0.110% HA2 GLY 26 - HN VAL 105 3.571% * 0.0869% (0.45 1.0 0.02 0.02) = 0.087% HA PRO 112 - HN VAL 105 3.571% * 0.0598% (0.31 1.0 0.02 0.02) = 0.060% HA PRO 116 - HN VAL 105 3.571% * 0.0483% (0.25 1.0 0.02 0.02) = 0.048% HA PRO 86 - HN VAL 105 3.571% * 0.0384% (0.20 1.0 0.02 0.02) = 0.038% HA ALA 91 - HN VAL 94 3.571% * 0.0372% (0.19 1.0 0.02 0.02) = 0.037% HA SER 88 - HN VAL 94 3.571% * 0.0360% (0.19 1.0 0.02 0.02) = 0.036% HA SER 27 - HN VAL 94 3.571% * 0.0353% (0.18 1.0 0.02 0.02) = 0.035% HA ALA 37 - HN VAL 94 3.571% * 0.0344% (0.18 1.0 0.02 0.02) = 0.034% HA LYS+ 60 - HN VAL 94 3.571% * 0.0312% (0.16 1.0 0.02 0.02) = 0.031% HA TRP 51 - HN VAL 94 3.571% * 0.0299% (0.15 1.0 0.02 0.02) = 0.030% HA ASN 57 - HN VAL 94 3.571% * 0.0241% (0.12 1.0 0.02 0.02) = 0.024% HB THR 61 - HN VAL 94 3.571% * 0.0211% (0.11 1.0 0.02 0.02) = 0.021% HA PRO 104 - HN VAL 94 3.571% * 0.0182% (0.09 1.0 0.02 0.02) = 0.018% HA2 GLY 26 - HN VAL 94 3.571% * 0.0167% (0.09 1.0 0.02 0.02) = 0.017% HA PRO 112 - HN VAL 94 3.571% * 0.0115% (0.06 1.0 0.02 0.02) = 0.012% HA PRO 116 - HN VAL 94 3.571% * 0.0093% (0.05 1.0 0.02 0.02) = 0.009% HA PRO 86 - HN VAL 94 3.571% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% Peak 556 (0.89, 8.22, 121.12 ppm): 18 chemical-shift based assignments, quality = 0.698, support = 0.211, residual support = 0.0193: QG1 VAL 47 - HN VAL 105 5.556% * 45.2790% (0.90 0.29 0.02) = 45.279% kept QD1 LEU 67 - HN VAL 105 5.556% * 14.5813% (0.84 0.10 0.02) = 14.581% kept QG1 VAL 80 - HN VAL 94 5.556% * 10.4177% (0.19 0.32 0.02) = 10.418% kept QG2 VAL 40 - HN VAL 94 5.556% * 8.9655% (0.18 0.28 0.02) = 8.966% kept QG1 VAL 80 - HN VAL 105 5.556% * 3.3381% (0.97 0.02 0.02) = 3.338% kept QG2 VAL 40 - HN VAL 105 5.556% * 3.2720% (0.95 0.02 0.02) = 3.272% kept QG2 VAL 87 - HN VAL 105 5.556% * 3.2720% (0.95 0.02 0.02) = 3.272% kept HG3 LYS+ 117 - HN VAL 105 5.556% * 2.6434% (0.76 0.02 0.02) = 2.643% kept QG2 VAL 125 - HN VAL 105 5.556% * 2.3760% (0.69 0.02 0.02) = 2.376% kept QG1 VAL 47 - HN VAL 94 5.556% * 2.2518% (0.17 0.08 0.02) = 2.252% kept QG2 VAL 80 - HN VAL 105 5.556% * 0.6845% (0.20 0.02 0.02) = 0.685% QG2 VAL 87 - HN VAL 94 5.556% * 0.6294% (0.18 0.02 0.02) = 0.629% QD1 LEU 67 - HN VAL 94 5.556% * 0.5558% (0.16 0.02 0.02) = 0.556% QG2 ILE 100 - HN VAL 105 5.556% * 0.5337% (0.15 0.02 0.02) = 0.534% HG3 LYS+ 117 - HN VAL 94 5.556% * 0.5085% (0.15 0.02 0.02) = 0.508% QG2 VAL 125 - HN VAL 94 5.556% * 0.4570% (0.13 0.02 0.02) = 0.457% QG2 VAL 80 - HN VAL 94 5.556% * 0.1317% (0.04 0.02 0.02) = 0.132% QG2 ILE 100 - HN VAL 94 5.556% * 0.1027% (0.03 0.02 0.02) = 0.103% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 557 (8.21, 8.22, 121.12 ppm): 2 diagonal assignments: * HN VAL 105 - HN VAL 105 (0.92) kept HN VAL 94 - HN VAL 94 (0.17) kept Peak 558 (2.16, 8.22, 121.12 ppm): 20 chemical-shift based assignments, quality = 0.609, support = 2.72, residual support = 8.92: O HB3 PRO 104 - HN VAL 105 5.000% * 71.6866% (0.49 10.0 2.77 9.44) = 71.687% kept * HG2 PRO 104 - HN VAL 105 5.000% * 22.7669% (1.00 1.0 3.09 9.44) = 22.767% kept HB VAL 47 - HN VAL 105 5.000% * 4.4204% (0.73 1.0 0.83 0.02) = 4.420% kept HB3 GLU- 75 - HN VAL 94 5.000% * 0.3662% (0.09 1.0 0.53 0.02) = 0.366% HG2 PRO 112 - HN VAL 105 5.000% * 0.1414% (0.96 1.0 0.02 0.02) = 0.141% HG2 GLN 102 - HN VAL 105 5.000% * 0.1069% (0.73 1.0 0.02 0.02) = 0.107% HB2 ASP- 82 - HN VAL 105 5.000% * 0.1012% (0.69 1.0 0.02 0.02) = 0.101% HB3 LYS+ 78 - HN VAL 105 5.000% * 0.0834% (0.57 1.0 0.02 0.02) = 0.083% HB3 GLU- 75 - HN VAL 105 5.000% * 0.0717% (0.49 1.0 0.02 0.02) = 0.072% HB VAL 99 - HN VAL 105 5.000% * 0.0660% (0.45 1.0 0.02 0.02) = 0.066% HG2 PRO 104 - HN VAL 94 5.000% * 0.0283% (0.19 1.0 0.02 0.02) = 0.028% HG2 PRO 112 - HN VAL 94 5.000% * 0.0272% (0.18 1.0 0.02 0.02) = 0.027% HB2 ASP- 28 - HN VAL 105 5.000% * 0.0258% (0.18 1.0 0.02 0.02) = 0.026% HB VAL 47 - HN VAL 94 5.000% * 0.0206% (0.14 1.0 0.02 0.02) = 0.021% HG2 GLN 102 - HN VAL 94 5.000% * 0.0206% (0.14 1.0 0.02 0.02) = 0.021% HB2 ASP- 82 - HN VAL 94 5.000% * 0.0195% (0.13 1.0 0.02 0.02) = 0.019% HB3 LYS+ 78 - HN VAL 94 5.000% * 0.0160% (0.11 1.0 0.02 0.02) = 0.016% HB3 PRO 104 - HN VAL 94 5.000% * 0.0138% (0.09 1.0 0.02 0.02) = 0.014% HB VAL 99 - HN VAL 94 5.000% * 0.0127% (0.09 1.0 0.02 0.02) = 0.013% HB2 ASP- 28 - HN VAL 94 5.000% * 0.0050% (0.03 1.0 0.02 0.02) = 0.005% Peak 560 (4.10, 8.22, 121.12 ppm): 12 chemical-shift based assignments, quality = 0.654, support = 0.878, residual support = 0.527: HA THR 46 - HN VAL 105 8.333% * 51.2510% (0.90 0.87 0.88) = 51.251% kept HA LYS+ 63 - HN VAL 94 8.333% * 15.5276% (0.19 1.26 0.45) = 15.528% kept HB3 SER 49 - HN VAL 105 8.333% * 14.5309% (0.81 0.27 0.02) = 14.531% kept HB3 SER 49 - HN VAL 94 8.333% * 14.0696% (0.16 1.38 0.02) = 14.070% kept HA ALA 70 - HN VAL 105 8.333% * 1.2968% (0.99 0.02 0.02) = 1.297% kept HA LYS+ 63 - HN VAL 105 8.333% * 1.2824% (0.98 0.02 0.02) = 1.282% kept HA THR 24 - HN VAL 105 8.333% * 0.9501% (0.73 0.02 0.02) = 0.950% HA ARG+ 53 - HN VAL 105 8.333% * 0.3638% (0.28 0.02 0.02) = 0.364% HA ALA 70 - HN VAL 94 8.333% * 0.2495% (0.19 0.02 0.02) = 0.249% HA THR 46 - HN VAL 94 8.333% * 0.2257% (0.17 0.02 0.02) = 0.226% HA THR 24 - HN VAL 94 8.333% * 0.1828% (0.14 0.02 0.02) = 0.183% HA ARG+ 53 - HN VAL 94 8.333% * 0.0700% (0.05 0.02 0.02) = 0.070% Peak 561 (4.20, 8.06, 121.15 ppm): 8 chemical-shift based assignments, quality = 0.193, support = 1.86, residual support = 4.82: * O HA GLU- 109 - HN LYS+ 110 12.500% * 93.1510% (0.18 10.0 1.95 5.17) = 93.151% kept HA GLU- 12 - HN LYS+ 110 12.500% * 6.1183% (0.35 1.0 0.68 0.02) = 6.118% kept HA ASP- 82 - HN LYS+ 110 12.500% * 0.2775% (0.54 1.0 0.02 0.02) = 0.277% HB3 SER 49 - HN LYS+ 110 12.500% * 0.1984% (0.38 1.0 0.02 0.02) = 0.198% HA VAL 65 - HN LYS+ 110 12.500% * 0.0864% (0.17 1.0 0.02 0.02) = 0.086% HA VAL 73 - HN LYS+ 110 12.500% * 0.0698% (0.13 1.0 0.02 0.02) = 0.070% HA SER 49 - HN LYS+ 110 12.500% * 0.0554% (0.11 1.0 0.02 0.02) = 0.055% HA ALA 42 - HN LYS+ 110 12.500% * 0.0432% (0.08 1.0 0.02 0.34) = 0.043% Peak 562 (1.95, 8.06, 121.15 ppm): 15 chemical-shift based assignments, quality = 0.399, support = 1.56, residual support = 4.03: HB VAL 13 - HN LYS+ 110 6.667% * 50.3737% (0.43 1.86 4.14) = 50.374% kept * HB3 GLU- 109 - HN LYS+ 110 6.667% * 37.5648% (0.37 1.62 5.17) = 37.565% kept HG3 PRO 31 - HN LYS+ 110 6.667% * 7.5698% (0.54 0.22 0.02) = 7.570% kept HB3 LYS+ 55 - HN LYS+ 110 6.667% * 0.6771% (0.54 0.02 0.02) = 0.677% HB2 GLU- 75 - HN LYS+ 110 6.667% * 0.6405% (0.51 0.02 0.02) = 0.641% HB2 PRO 35 - HN LYS+ 110 6.667% * 0.6073% (0.49 0.02 0.02) = 0.607% HG3 PRO 116 - HN LYS+ 110 6.667% * 0.5656% (0.45 0.02 0.02) = 0.566% HB2 GLU- 10 - HN LYS+ 110 6.667% * 0.4651% (0.37 0.02 0.02) = 0.465% HB2 PRO 116 - HN LYS+ 110 6.667% * 0.4651% (0.37 0.02 0.02) = 0.465% HG2 PRO 112 - HN LYS+ 110 6.667% * 0.2624% (0.21 0.02 0.02) = 0.262% HB ILE 29 - HN LYS+ 110 6.667% * 0.2310% (0.18 0.02 0.02) = 0.231% HB VAL 73 - HN LYS+ 110 6.667% * 0.1883% (0.15 0.02 0.02) = 0.188% HG3 PRO 104 - HN LYS+ 110 6.667% * 0.1508% (0.12 0.02 0.02) = 0.151% HB2 LEU 23 - HN LYS+ 110 6.667% * 0.1340% (0.11 0.02 0.02) = 0.134% HB3 GLU- 56 - HN LYS+ 110 6.667% * 0.1045% (0.08 0.02 0.02) = 0.104% Peak 563 (8.06, 8.06, 121.15 ppm): 1 diagonal assignment: * HN LYS+ 110 - HN LYS+ 110 (0.13) kept Peak 564 (0.82, 8.06, 121.15 ppm): 9 chemical-shift based assignments, quality = 0.391, support = 1.33, residual support = 3.17: QG1 VAL 13 - HN LYS+ 110 11.111% * 51.8051% (0.45 1.57 4.14) = 51.805% kept QG2 VAL 13 - HN LYS+ 110 11.111% * 24.1864% (0.18 1.80 4.14) = 24.186% kept QG1 VAL 94 - HN LYS+ 110 11.111% * 17.6337% (0.54 0.45 0.10) = 17.634% kept QD2 LEU 17 - HN LYS+ 110 11.111% * 3.3911% (0.52 0.09 0.02) = 3.391% kept QD2 LEU 90 - HN LYS+ 110 11.111% * 0.7078% (0.49 0.02 0.02) = 0.708% QD1 ILE 29 - HN LYS+ 110 11.111% * 0.6592% (0.45 0.02 0.02) = 0.659% QD1 ILE 100 - HN LYS+ 110 11.111% * 0.6274% (0.09 0.09 0.02) = 0.627% QD2 LEU 67 - HN LYS+ 110 11.111% * 0.5105% (0.35 0.02 0.02) = 0.511% HG2 LYS+ 117 - HN LYS+ 110 11.111% * 0.4787% (0.33 0.02 0.02) = 0.479% Peak 565 (4.00, 8.06, 121.15 ppm): 4 chemical-shift based assignments, quality = 0.336, support = 1.31, residual support = 2.56: HA VAL 13 - HN LYS+ 110 25.000% * 60.1309% (0.22 1.86 4.14) = 60.131% kept HB THR 95 - HN LYS+ 110 25.000% * 37.4123% (0.51 0.50 0.19) = 37.412% kept HA THR 38 - HN LYS+ 110 25.000% * 1.2570% (0.43 0.02 0.02) = 1.257% kept HA1 GLY 92 - HN LYS+ 110 25.000% * 1.1997% (0.41 0.02 0.02) = 1.200% kept Peak 566 (1.70, 7.96, 121.20 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 568 (4.75, 8.40, 121.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 570 (7.31, 7.32, 121.07 ppm): 1 diagonal assignment: * HN ARG+ 84 - HN ARG+ 84 (0.94) kept Peak 571 (7.66, 7.32, 121.07 ppm): 2 chemical-shift based assignments, quality = 0.944, support = 4.79, residual support = 15.7: * T HN TYR 83 - HN ARG+ 84 50.000% * 99.9603% (0.94 10.00 4.79 15.69) = 99.960% kept HD21 ASN 89 - HN ARG+ 84 50.000% * 0.0397% (0.37 1.00 0.02 0.02) = 0.040% Peak 572 (1.77, 7.32, 121.07 ppm): 13 chemical-shift based assignments, quality = 0.835, support = 4.63, residual support = 76.2: O HB2 ARG+ 84 - HN ARG+ 84 7.692% * 78.3444% (0.83 10.0 4.54 76.79) = 78.344% kept HG2 ARG+ 84 - HN ARG+ 84 7.692% * 20.9314% (0.87 1.0 5.15 76.79) = 20.931% kept HB ILE 48 - HN ARG+ 84 7.692% * 0.2598% (0.22 1.0 0.25 0.02) = 0.260% HB3 GLU- 18 - HN ARG+ 84 7.692% * 0.0841% (0.90 1.0 0.02 3.02) = 0.084% HD3 PRO 59 - HN ARG+ 84 7.692% * 0.0751% (0.80 1.0 0.02 0.02) = 0.075% HB2 LEU 17 - HN ARG+ 84 7.692% * 0.0607% (0.65 1.0 0.02 1.73) = 0.061% HG3 ARG+ 53 - HN ARG+ 84 7.692% * 0.0607% (0.65 1.0 0.02 0.02) = 0.061% HG3 LYS+ 63 - HN ARG+ 84 7.692% * 0.0457% (0.49 1.0 0.02 0.02) = 0.046% HG2 PRO 31 - HN ARG+ 84 7.692% * 0.0421% (0.45 1.0 0.02 0.02) = 0.042% HB2 LYS+ 117 - HN ARG+ 84 7.692% * 0.0352% (0.37 1.0 0.02 0.02) = 0.035% HB3 LEU 23 - HN ARG+ 84 7.692% * 0.0320% (0.34 1.0 0.02 0.02) = 0.032% HB3 LYS+ 108 - HN ARG+ 84 7.692% * 0.0145% (0.15 1.0 0.02 0.02) = 0.014% HB3 LYS+ 63 - HN ARG+ 84 7.692% * 0.0145% (0.15 1.0 0.02 0.02) = 0.014% Peak 573 (4.27, 7.32, 121.07 ppm): 19 chemical-shift based assignments, quality = 0.97, support = 4.63, residual support = 68.8: * O HA ARG+ 84 - HN ARG+ 84 5.263% * 88.8566% (0.98 10.0 4.95 76.79) = 88.857% kept HA SER 85 - HN ARG+ 84 5.263% * 10.1925% (0.98 1.0 2.29 5.62) = 10.193% kept HA GLU- 56 - HN ARG+ 84 5.263% * 0.0889% (0.98 1.0 0.02 0.02) = 0.089% HA PRO 52 - HN ARG+ 84 5.263% * 0.0889% (0.98 1.0 0.02 0.02) = 0.089% HA VAL 94 - HN ARG+ 84 5.263% * 0.0875% (0.96 1.0 0.02 0.02) = 0.087% HA GLU- 64 - HN ARG+ 84 5.263% * 0.0813% (0.90 1.0 0.02 0.02) = 0.081% HA GLU- 75 - HN ARG+ 84 5.263% * 0.0786% (0.87 1.0 0.02 0.02) = 0.079% HA VAL 122 - HN ARG+ 84 5.263% * 0.0757% (0.83 1.0 0.02 1.53) = 0.076% HA LEU 90 - HN ARG+ 84 5.263% * 0.0693% (0.76 1.0 0.02 0.02) = 0.069% HB3 CYS 121 - HN ARG+ 84 5.263% * 0.0513% (0.57 1.0 0.02 0.02) = 0.051% HA ASN 119 - HN ARG+ 84 5.263% * 0.0513% (0.57 1.0 0.02 0.02) = 0.051% HA GLU- 107 - HN ARG+ 84 5.263% * 0.0513% (0.57 1.0 0.02 0.02) = 0.051% HA ASN 76 - HN ARG+ 84 5.263% * 0.0477% (0.53 1.0 0.02 0.02) = 0.048% HA ALA 11 - HN ARG+ 84 5.263% * 0.0406% (0.45 1.0 0.02 0.02) = 0.041% HA THR 106 - HN ARG+ 84 5.263% * 0.0406% (0.45 1.0 0.02 0.02) = 0.041% HA CYS 121 - HN ARG+ 84 5.263% * 0.0373% (0.41 1.0 0.02 0.02) = 0.037% HA PRO 59 - HN ARG+ 84 5.263% * 0.0226% (0.25 1.0 0.02 0.02) = 0.023% HA ASP- 36 - HN ARG+ 84 5.263% * 0.0202% (0.22 1.0 0.02 0.02) = 0.020% HB3 SER 49 - HN ARG+ 84 5.263% * 0.0177% (0.20 1.0 0.02 0.02) = 0.018% Peak 574 (1.87, 7.32, 121.07 ppm): 12 chemical-shift based assignments, quality = 0.908, support = 4.3, residual support = 75.6: O HB3 ARG+ 84 - HN ARG+ 84 8.333% * 98.4681% (0.92 10.0 4.37 76.79) = 98.468% kept HG2 PRO 112 - HN ARG+ 84 8.333% * 0.9009% (0.20 1.0 0.83 0.02) = 0.901% HD2 PRO 59 - HN ARG+ 84 8.333% * 0.0957% (0.90 1.0 0.02 0.02) = 0.096% HD3 PRO 52 - HN ARG+ 84 8.333% * 0.0957% (0.90 1.0 0.02 0.02) = 0.096% HB VAL 94 - HN ARG+ 84 8.333% * 0.0925% (0.87 1.0 0.02 0.02) = 0.093% HG3 LYS+ 120 - HN ARG+ 84 8.333% * 0.0733% (0.69 1.0 0.02 0.02) = 0.073% HB2 PRO 104 - HN ARG+ 84 8.333% * 0.0690% (0.65 1.0 0.02 0.02) = 0.069% HB3 LYS+ 72 - HN ARG+ 84 8.333% * 0.0647% (0.61 1.0 0.02 0.02) = 0.065% HB3 LYS+ 60 - HN ARG+ 84 8.333% * 0.0604% (0.57 1.0 0.02 0.02) = 0.060% HB3 GLN 16 - HN ARG+ 84 8.333% * 0.0266% (0.25 1.0 0.02 0.02) = 0.027% HG2 GLU- 18 - HN ARG+ 84 8.333% * 0.0266% (0.25 1.0 0.02 3.02) = 0.027% HB2 LYS+ 66 - HN ARG+ 84 8.333% * 0.0266% (0.25 1.0 0.02 0.02) = 0.027% Peak 575 (1.66, 7.32, 121.07 ppm): 10 chemical-shift based assignments, quality = 0.926, support = 4.36, residual support = 64.6: * HG3 ARG+ 84 - HN ARG+ 84 10.000% * 83.1475% (1.00 5.09 76.79) = 83.147% kept HB3 LYS+ 81 - HN ARG+ 84 10.000% * 9.8694% (0.57 1.06 7.16) = 9.869% kept HB3 MET 126 - HN ARG+ 84 10.000% * 5.7261% (0.73 0.48 0.02) = 5.726% kept HB3 LYS+ 66 - HN ARG+ 84 10.000% * 0.3023% (0.92 0.02 0.02) = 0.302% HB ILE 100 - HN ARG+ 84 10.000% * 0.2937% (0.90 0.02 0.02) = 0.294% HB3 MET 97 - HN ARG+ 84 10.000% * 0.2622% (0.80 0.02 0.02) = 0.262% HG2 ARG+ 22 - HN ARG+ 84 10.000% * 0.2249% (0.69 0.02 0.02) = 0.225% HD3 LYS+ 55 - HN ARG+ 84 10.000% * 0.0729% (0.22 0.02 0.02) = 0.073% HG LEU 23 - HN ARG+ 84 10.000% * 0.0505% (0.15 0.02 0.02) = 0.051% HG13 ILE 19 - HN ARG+ 84 10.000% * 0.0505% (0.15 0.02 0.02) = 0.051% Peak 576 (4.65, 7.32, 121.07 ppm): 4 chemical-shift based assignments, quality = 0.339, support = 3.42, residual support = 15.6: * O HA TYR 83 - HN ARG+ 84 25.000% * 99.5306% (0.34 10.0 3.43 15.69) = 99.531% kept HA LYS+ 120 - HN ARG+ 84 25.000% * 0.2531% (0.87 1.0 0.02 0.02) = 0.253% HA PRO 35 - HN ARG+ 84 25.000% * 0.1652% (0.57 1.0 0.02 0.02) = 0.165% HA ASN 89 - HN ARG+ 84 25.000% * 0.0511% (0.17 1.0 0.02 0.02) = 0.051% Peak 577 (3.68, 7.32, 121.07 ppm): 3 chemical-shift based assignments, quality = 0.327, support = 1.73, residual support = 5.43: * HA LYS+ 81 - HN ARG+ 84 33.333% * 65.3026% (0.34 2.22 7.16) = 65.303% kept HB2 TRP 51 - HN ARG+ 84 33.333% * 19.7630% (0.41 0.56 1.28) = 19.763% kept HB3 SER 69 - HN ARG+ 84 33.333% * 14.9344% (0.15 1.12 3.36) = 14.934% kept Peak 578 (8.41, 8.42, 120.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 582 (8.62, 8.63, 120.72 ppm): 1 diagonal assignment: * HN SER 85 - HN SER 85 (0.92) kept Peak 583 (4.27, 8.63, 120.72 ppm): 19 chemical-shift based assignments, quality = 0.994, support = 2.93, residual support = 6.3: * O HA ARG+ 84 - HN SER 85 5.263% * 49.7421% (1.00 10.0 3.33 5.62) = 49.742% kept O HA SER 85 - HN SER 85 5.263% * 49.7421% (1.00 10.0 2.56 7.04) = 49.742% kept HA PRO 52 - HN SER 85 5.263% * 0.0497% (1.00 1.0 0.02 0.02) = 0.050% HA VAL 94 - HN SER 85 5.263% * 0.0496% (1.00 1.0 0.02 0.02) = 0.050% HA GLU- 56 - HN SER 85 5.263% * 0.0459% (0.92 1.0 0.02 0.02) = 0.046% HA VAL 122 - HN SER 85 5.263% * 0.0459% (0.92 1.0 0.02 0.02) = 0.046% HA LEU 90 - HN SER 85 5.263% * 0.0431% (0.87 1.0 0.02 0.02) = 0.043% HA GLU- 64 - HN SER 85 5.263% * 0.0398% (0.80 1.0 0.02 0.02) = 0.040% HA GLU- 75 - HN SER 85 5.263% * 0.0380% (0.76 1.0 0.02 0.02) = 0.038% HB3 CYS 121 - HN SER 85 5.263% * 0.0342% (0.69 1.0 0.02 0.02) = 0.034% HA THR 106 - HN SER 85 5.263% * 0.0282% (0.57 1.0 0.02 0.02) = 0.028% HA CYS 121 - HN SER 85 5.263% * 0.0262% (0.53 1.0 0.02 0.02) = 0.026% HA GLU- 107 - HN SER 85 5.263% * 0.0223% (0.45 1.0 0.02 0.02) = 0.022% HA ASN 119 - HN SER 85 5.263% * 0.0223% (0.45 1.0 0.02 0.02) = 0.022% HA ASN 76 - HN SER 85 5.263% * 0.0204% (0.41 1.0 0.02 0.02) = 0.020% HA ALA 11 - HN SER 85 5.263% * 0.0170% (0.34 1.0 0.02 0.02) = 0.017% HA ASP- 36 - HN SER 85 5.263% * 0.0154% (0.31 1.0 0.02 0.02) = 0.015% HB3 SER 49 - HN SER 85 5.263% * 0.0090% (0.18 1.0 0.02 0.02) = 0.009% HA PRO 59 - HN SER 85 5.263% * 0.0087% (0.17 1.0 0.02 0.02) = 0.009% Peak 584 (3.85, 8.63, 120.72 ppm): 10 chemical-shift based assignments, quality = 0.759, support = 2.68, residual support = 7.0: * O HB2 SER 85 - HN SER 85 10.000% * 99.4004% (0.76 10.0 2.70 7.04) = 99.400% kept HA LYS+ 117 - HN SER 85 10.000% * 0.1086% (0.83 1.0 0.02 0.02) = 0.109% HB3 SER 88 - HN SER 85 10.000% * 0.1041% (0.80 1.0 0.02 0.02) = 0.104% HA2 GLY 114 - HN SER 85 10.000% * 0.0944% (0.73 1.0 0.02 0.02) = 0.094% HB3 SER 77 - HN SER 85 10.000% * 0.0944% (0.73 1.0 0.02 0.02) = 0.094% HB3 SER 27 - HN SER 85 10.000% * 0.0633% (0.49 1.0 0.02 0.02) = 0.063% HA GLU- 45 - HN SER 85 10.000% * 0.0583% (0.45 1.0 0.02 0.02) = 0.058% HA2 GLY 92 - HN SER 85 10.000% * 0.0362% (0.28 1.0 0.02 0.02) = 0.036% HD3 PRO 35 - HN SER 85 10.000% * 0.0201% (0.15 1.0 0.02 0.02) = 0.020% HD3 PRO 116 - HN SER 85 10.000% * 0.0201% (0.15 1.0 0.02 0.02) = 0.020% Peak 585 (4.84, 8.63, 120.72 ppm): 4 chemical-shift based assignments, quality = 0.416, support = 2.25, residual support = 1.85: HA GLU- 18 - HN SER 85 25.000% * 39.7602% (0.37 2.89 2.22) = 39.760% kept HB THR 39 - HN SER 85 25.000% * 37.6142% (0.41 2.50 2.34) = 37.614% kept HA THR 96 - HN SER 85 25.000% * 16.4779% (0.57 0.79 0.51) = 16.478% kept HA ASP- 115 - HN SER 85 25.000% * 6.1476% (0.31 0.54 0.02) = 6.148% kept Peak 586 (4.04, 8.63, 120.72 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 2.69, residual support = 7.03: * O HB3 SER 85 - HN SER 85 16.667% * 99.7840% (1.00 10.0 2.70 7.04) = 99.784% kept HB THR 38 - HN SER 85 16.667% * 0.0685% (0.69 1.0 0.02 0.02) = 0.069% HA VAL 125 - HN SER 85 16.667% * 0.0525% (0.53 1.0 0.02 0.02) = 0.052% HB2 SER 49 - HN SER 85 16.667% * 0.0447% (0.45 1.0 0.02 0.02) = 0.045% HB3 SER 49 - HN SER 85 16.667% * 0.0304% (0.30 1.0 0.02 0.02) = 0.030% HA VAL 13 - HN SER 85 16.667% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% Peak 587 (1.75, 8.63, 120.72 ppm): 9 chemical-shift based assignments, quality = 0.477, support = 2.3, residual support = 3.72: HG2 ARG+ 84 - HN SER 85 11.111% * 31.8699% (0.31 3.59 5.62) = 31.870% kept HB2 ARG+ 84 - HN SER 85 11.111% * 26.6299% (0.28 3.33 5.62) = 26.630% kept HB2 LEU 17 - HN SER 85 11.111% * 16.7309% (1.00 0.58 0.02) = 16.731% kept HB ILE 48 - HN SER 85 11.111% * 14.1501% (0.76 0.64 1.66) = 14.150% kept HB3 GLU- 18 - HN SER 85 11.111% * 8.9372% (0.34 0.91 2.22) = 8.937% kept HD3 PRO 59 - HN SER 85 11.111% * 0.5449% (0.94 0.02 0.02) = 0.545% HB2 LYS+ 117 - HN SER 85 11.111% * 0.5317% (0.92 0.02 0.02) = 0.532% HB3 LEU 23 - HN SER 85 11.111% * 0.5166% (0.90 0.02 0.02) = 0.517% HG3 ARG+ 53 - HN SER 85 11.111% * 0.0889% (0.15 0.02 0.02) = 0.089% Peak 588 (1.89, 8.63, 120.72 ppm): 12 chemical-shift based assignments, quality = 0.709, support = 1.99, residual support = 3.62: HB3 ARG+ 84 - HN SER 85 8.333% * 53.8532% (0.53 3.15 5.62) = 53.853% kept HG2 GLU- 18 - HN SER 85 8.333% * 25.4529% (0.99 0.79 2.22) = 25.453% kept HB3 GLN 16 - HN SER 85 8.333% * 17.6145% (0.99 0.55 0.15) = 17.614% kept HB3 CYS 123 - HN SER 85 8.333% * 0.5634% (0.87 0.02 0.02) = 0.563% HG3 LYS+ 120 - HN SER 85 8.333% * 0.5201% (0.80 0.02 0.02) = 0.520% HB3 ARG+ 53 - HN SER 85 8.333% * 0.4717% (0.73 0.02 0.02) = 0.472% HB2 PRO 112 - HN SER 85 8.333% * 0.4353% (0.67 0.02 0.02) = 0.435% HD3 PRO 52 - HN SER 85 8.333% * 0.3677% (0.57 0.02 0.02) = 0.368% HB3 GLN 102 - HN SER 85 8.333% * 0.2912% (0.45 0.02 0.02) = 0.291% HD3 LYS+ 63 - HN SER 85 8.333% * 0.1806% (0.28 0.02 0.02) = 0.181% HG2 PRO 112 - HN SER 85 8.333% * 0.1615% (0.25 0.02 0.02) = 0.162% HD2 PRO 59 - HN SER 85 8.333% * 0.0879% (0.14 0.02 0.02) = 0.088% Peak 589 (4.70, 8.63, 120.72 ppm): 8 chemical-shift based assignments, quality = 0.745, support = 0.538, residual support = 0.92: HA GLN 16 - HN SER 85 12.500% * 40.1658% (1.00 0.41 0.15) = 40.166% kept HA THR 39 - HN SER 85 12.500% * 35.8572% (0.76 0.48 2.34) = 35.857% kept HA TYR 83 - HN SER 85 12.500% * 17.5629% (0.15 1.15 0.11) = 17.563% kept HA VAL 99 - HN SER 85 12.500% * 1.9358% (0.98 0.02 0.02) = 1.936% kept HA THR 61 - HN SER 85 12.500% * 1.7711% (0.90 0.02 0.02) = 1.771% kept HA2 GLY 30 - HN SER 85 12.500% * 1.3565% (0.69 0.02 0.02) = 1.357% kept HA LYS+ 20 - HN SER 85 12.500% * 0.7412% (0.37 0.02 0.02) = 0.741% HA ASN 89 - HN SER 85 12.500% * 0.6095% (0.31 0.02 0.02) = 0.610% Peak 590 (1.58, 7.98, 120.59 ppm): 11 chemical-shift based assignments, quality = 0.292, support = 4.5, residual support = 17.3: * QB ALA 42 - HN LEU 43 9.091% * 79.7481% (0.25 5.59 21.63) = 79.748% kept HD3 LYS+ 60 - HN LEU 43 9.091% * 8.0436% (0.56 0.25 0.02) = 8.044% kept HD3 LYS+ 81 - HN LEU 43 9.091% * 7.8873% (0.48 0.28 0.02) = 7.887% kept HB3 LYS+ 32 - HN LEU 43 9.091% * 1.0821% (0.94 0.02 0.02) = 1.082% kept HB ILE 19 - HN LEU 43 9.091% * 0.7857% (0.68 0.02 0.02) = 0.786% HG LEU 17 - HN LEU 43 9.091% * 0.7400% (0.64 0.02 0.02) = 0.740% HD3 LYS+ 32 - HN LEU 43 9.091% * 0.5568% (0.48 0.02 0.02) = 0.557% HB3 PRO 52 - HN LEU 43 9.091% * 0.3902% (0.34 0.02 0.02) = 0.390% HG12 ILE 29 - HN LEU 43 9.091% * 0.2852% (0.25 0.02 0.02) = 0.285% HG2 LYS+ 110 - HN LEU 43 9.091% * 0.2547% (0.22 0.02 0.11) = 0.255% HB3 LEU 90 - HN LEU 43 9.091% * 0.2264% (0.20 0.02 0.02) = 0.226% Peak 591 (-0.12, 7.97, 120.59 ppm): 1 chemical-shift based assignment, quality = 0.606, support = 7.86, residual support = 179.8: * QD1 LEU 43 - HN LEU 43 100.000% *100.0000% (0.61 7.86 179.85) = 100.000% kept Peak 592 (2.09, 7.97, 120.59 ppm): 15 chemical-shift based assignments, quality = 0.539, support = 6.1, residual support = 156.3: * O HB3 LEU 43 - HN LEU 43 6.667% * 86.9285% (0.50 10.0 6.86 179.85) = 86.929% kept HB3 GLU- 75 - HN LEU 43 6.667% * 9.8697% (0.88 1.0 1.29 0.02) = 9.870% kept HB VAL 125 - HN LEU 43 6.667% * 2.1237% (0.85 1.0 0.29 0.14) = 2.124% kept HB2 MET 118 - HN LEU 43 6.667% * 0.1535% (0.88 1.0 0.02 0.02) = 0.154% HB VAL 65 - HN LEU 43 6.667% * 0.1452% (0.83 1.0 0.02 0.02) = 0.145% HB2 LYS+ 110 - HN LEU 43 6.667% * 0.1417% (0.81 1.0 0.02 0.11) = 0.142% HD3 LYS+ 110 - HN LEU 43 6.667% * 0.1332% (0.77 1.0 0.02 0.11) = 0.133% HG2 PRO 112 - HN LEU 43 6.667% * 0.1253% (0.72 1.0 0.02 0.02) = 0.125% HG2 GLN 16 - HN LEU 43 6.667% * 0.0993% (0.57 1.0 0.02 0.13) = 0.099% HB3 LYS+ 120 - HN LEU 43 6.667% * 0.0747% (0.43 1.0 0.02 0.02) = 0.075% HB VAL 87 - HN LEU 43 6.667% * 0.0524% (0.30 1.0 0.02 0.02) = 0.052% HB2 GLU- 56 - HN LEU 43 6.667% * 0.0474% (0.27 1.0 0.02 0.02) = 0.047% HB ILE 101 - HN LEU 43 6.667% * 0.0474% (0.27 1.0 0.02 0.02) = 0.047% HB VAL 62 - HN LEU 43 6.667% * 0.0342% (0.20 1.0 0.02 3.21) = 0.034% HB VAL 105 - HN LEU 43 6.667% * 0.0237% (0.14 1.0 0.02 0.02) = 0.024% Peak 593 (1.43, 7.97, 120.59 ppm): 15 chemical-shift based assignments, quality = 0.671, support = 3.69, residual support = 16.6: HD3 LYS+ 44 - HN LEU 43 6.667% * 58.0664% (0.64 5.35 27.76) = 58.066% kept * QG2 THR 38 - HN LEU 43 6.667% * 26.5506% (0.79 1.98 1.45) = 26.551% kept HG3 ARG+ 22 - HN LEU 43 6.667% * 6.3572% (0.87 0.43 0.14) = 6.357% kept QB ALA 91 - HN LEU 43 6.667% * 3.8306% (0.74 0.31 0.02) = 3.831% kept HG13 ILE 48 - HN LEU 43 6.667% * 1.9275% (0.20 0.58 1.60) = 1.928% kept HG LEU 67 - HN LEU 43 6.667% * 1.0221% (0.15 0.39 3.85) = 1.022% kept QB ALA 37 - HN LEU 43 6.667% * 0.7666% (0.27 0.17 0.02) = 0.767% HG3 LYS+ 113 - HN LEU 43 6.667% * 0.2982% (0.88 0.02 0.02) = 0.298% HG3 LYS+ 55 - HN LEU 43 6.667% * 0.2930% (0.87 0.02 0.02) = 0.293% HD3 LYS+ 113 - HN LEU 43 6.667% * 0.2885% (0.85 0.02 0.02) = 0.288% HG LEU 90 - HN LEU 43 6.667% * 0.2828% (0.83 0.02 0.02) = 0.283% HG3 LYS+ 60 - HN LEU 43 6.667% * 0.1122% (0.33 0.02 0.02) = 0.112% HG2 PRO 59 - HN LEU 43 6.667% * 0.1122% (0.33 0.02 0.02) = 0.112% QB ALA 93 - HN LEU 43 6.667% * 0.0461% (0.14 0.02 0.02) = 0.046% HG13 ILE 100 - HN LEU 43 6.667% * 0.0461% (0.14 0.02 0.02) = 0.046% Peak 594 (3.70, 7.97, 120.59 ppm): 3 chemical-shift based assignments, quality = 0.786, support = 0.962, residual support = 1.38: HB3 SER 69 - HN LEU 43 33.333% * 82.5806% (0.77 1.13 1.67) = 82.581% kept HA LYS+ 81 - HN LEU 43 33.333% * 15.7358% (0.88 0.19 0.02) = 15.736% kept HB2 TRP 51 - HN LEU 43 33.333% * 1.6836% (0.88 0.02 0.02) = 1.684% kept Reference assignment not found: HA LEU 43 - HN LEU 43 Peak 595 (3.43, 7.97, 120.59 ppm): 5 chemical-shift based assignments, quality = 0.618, support = 2.42, residual support = 3.33: HA VAL 62 - HN LEU 43 20.000% * 31.9548% (0.79 2.31 3.21) = 31.955% kept * HA VAL 40 - HN LEU 43 20.000% * 24.0310% (0.40 3.48 4.76) = 24.031% kept HA ILE 48 - HN LEU 43 20.000% * 23.3258% (0.87 1.53 1.60) = 23.326% kept HA VAL 80 - HN LEU 43 20.000% * 16.3219% (0.36 2.57 4.17) = 16.322% kept HD3 PRO 31 - HN LEU 43 20.000% * 4.3664% (0.15 1.62 2.32) = 4.366% kept Peak 596 (0.47, 7.97, 120.59 ppm): 2 chemical-shift based assignments, quality = 0.783, support = 6.23, residual support = 167.1: * QD2 LEU 43 - HN LEU 43 50.000% * 92.8659% (0.79 6.67 179.85) = 92.866% kept QD2 LEU 74 - HN LEU 43 50.000% * 7.1341% (0.67 0.60 1.31) = 7.134% kept Peak 597 (7.74, 7.97, 120.59 ppm): 4 chemical-shift based assignments, quality = 0.665, support = 4.79, residual support = 21.3: * T HN ALA 42 - HN LEU 43 25.000% * 98.6300% (0.67 10.00 4.86 21.63) = 98.630% kept HN ALA 37 - HN LEU 43 25.000% * 0.6604% (0.54 1.00 0.17 0.02) = 0.660% HN VAL 125 - HN LEU 43 25.000% * 0.3784% (0.57 1.00 0.09 0.14) = 0.378% HN SER 124 - HN LEU 43 25.000% * 0.3311% (0.50 1.00 0.09 0.02) = 0.331% Peak 602 (8.29, 8.31, 120.57 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 607 (7.77, 7.77, 120.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 608 (1.98, 7.77, 120.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 609 (1.90, 8.25, 120.21 ppm): 24 chemical-shift based assignments, quality = 0.646, support = 0.352, residual support = 0.115: HB2 PRO 112 - HN GLU- 12 4.167% * 37.3532% (0.96 0.50 0.22) = 37.353% kept HB3 GLN 16 - HN GLU- 12 4.167% * 16.2940% (0.70 0.30 0.02) = 16.294% kept HG2 PRO 112 - HN GLU- 12 4.167% * 10.2711% (0.27 0.49 0.22) = 10.271% kept HB2 PRO 112 - HN ASN 89 4.167% * 7.1935% (0.27 0.34 0.02) = 7.193% kept HG2 GLU- 18 - HN GLU- 12 4.167% * 5.7605% (0.70 0.11 0.02) = 5.760% kept HB2 LEU 23 - HN GLU- 12 4.167% * 4.0585% (0.51 0.10 0.02) = 4.058% kept HB3 GLN 16 - HN ASN 89 4.167% * 4.0201% (0.20 0.26 0.02) = 4.020% kept HD3 PRO 52 - HN GLU- 12 4.167% * 3.4236% (0.13 0.34 0.02) = 3.424% kept HB2 LEU 23 - HN ASN 89 4.167% * 2.8930% (0.14 0.26 0.02) = 2.893% kept HB3 ARG+ 53 - HN GLU- 12 4.167% * 1.4908% (0.96 0.02 0.02) = 1.491% kept HB3 GLN 102 - HN GLU- 12 4.167% * 1.4229% (0.92 0.02 0.02) = 1.423% kept HB3 CYS 123 - HN GLU- 12 4.167% * 1.3885% (0.89 0.02 0.02) = 1.388% kept HD3 LYS+ 63 - HN GLU- 12 4.167% * 1.2044% (0.78 0.02 0.02) = 1.204% kept HB ILE 29 - HN GLU- 12 4.167% * 0.5131% (0.33 0.02 0.02) = 0.513% HB3 ARG+ 53 - HN ASN 89 4.167% * 0.4196% (0.27 0.02 0.02) = 0.420% HG3 LYS+ 120 - HN GLU- 12 4.167% * 0.4182% (0.27 0.02 0.02) = 0.418% HB3 GLN 102 - HN ASN 89 4.167% * 0.4005% (0.26 0.02 0.02) = 0.400% HB3 CYS 123 - HN ASN 89 4.167% * 0.3908% (0.25 0.02 0.02) = 0.391% HD3 LYS+ 63 - HN ASN 89 4.167% * 0.3390% (0.22 0.02 0.02) = 0.339% HG2 GLU- 18 - HN ASN 89 4.167% * 0.3074% (0.20 0.02 0.02) = 0.307% HB ILE 29 - HN ASN 89 4.167% * 0.1444% (0.09 0.02 0.02) = 0.144% HG2 PRO 112 - HN ASN 89 4.167% * 0.1181% (0.08 0.02 0.02) = 0.118% HG3 LYS+ 120 - HN ASN 89 4.167% * 0.1177% (0.08 0.02 0.02) = 0.118% HD3 PRO 52 - HN ASN 89 4.167% * 0.0573% (0.04 0.02 0.02) = 0.057% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 610 (4.22, 8.24, 120.21 ppm): 20 chemical-shift based assignments, quality = 0.946, support = 1.05, residual support = 0.852: * O HA GLU- 12 - HN GLU- 12 5.000% * 89.5557% (1.00 10.0 1.10 0.95) = 89.556% kept HB3 SER 49 - HN GLU- 12 5.000% * 3.4917% (0.58 1.0 0.73 0.02) = 3.492% kept HA ASP- 82 - HN GLU- 12 5.000% * 3.2835% (0.72 1.0 0.55 0.10) = 3.284% kept HA GLU- 10 - HN GLU- 12 5.000% * 2.6301% (0.41 1.0 0.78 0.02) = 2.630% kept HA SER 49 - HN GLU- 12 5.000% * 0.4855% (0.68 1.0 0.09 0.02) = 0.486% HA GLU- 109 - HN GLU- 12 5.000% * 0.1414% (0.86 1.0 0.02 0.02) = 0.141% HA ALA 42 - HN GLU- 12 5.000% * 0.0989% (0.60 1.0 0.02 0.02) = 0.099% HA LYS+ 108 - HN GLU- 12 5.000% * 0.0670% (0.41 1.0 0.02 0.02) = 0.067% HA GLU- 54 - HN GLU- 12 5.000% * 0.0670% (0.41 1.0 0.02 0.02) = 0.067% HA PRO 59 - HN GLU- 12 5.000% * 0.0323% (0.20 1.0 0.02 0.02) = 0.032% HA GLU- 12 - HN ASN 89 5.000% * 0.0249% (0.15 1.0 0.02 0.02) = 0.025% HA GLU- 109 - HN ASN 89 5.000% * 0.0216% (0.13 1.0 0.02 0.02) = 0.022% HA ASP- 82 - HN ASN 89 5.000% * 0.0181% (0.11 1.0 0.02 0.02) = 0.018% HA SER 49 - HN ASN 89 5.000% * 0.0171% (0.10 1.0 0.02 0.02) = 0.017% HA ALA 42 - HN ASN 89 5.000% * 0.0151% (0.09 1.0 0.02 0.02) = 0.015% HB3 SER 49 - HN ASN 89 5.000% * 0.0145% (0.09 1.0 0.02 0.02) = 0.015% HA GLU- 10 - HN ASN 89 5.000% * 0.0102% (0.06 1.0 0.02 0.02) = 0.010% HA LYS+ 108 - HN ASN 89 5.000% * 0.0102% (0.06 1.0 0.02 0.02) = 0.010% HA GLU- 54 - HN ASN 89 5.000% * 0.0102% (0.06 1.0 0.02 0.02) = 0.010% HA PRO 59 - HN ASN 89 5.000% * 0.0049% (0.03 1.0 0.02 0.02) = 0.005% Peak 611 (8.24, 8.25, 120.21 ppm): 1 diagonal assignment: * HN GLU- 12 - HN GLU- 12 (0.96) kept Peak 612 (1.34, 8.24, 120.21 ppm): 12 chemical-shift based assignments, quality = 0.382, support = 0.855, residual support = 0.73: * QB ALA 11 - HN GLU- 12 8.333% * 25.9112% (0.17 1.76 2.35) = 25.911% kept QG2 THR 46 - HN GLU- 12 8.333% * 22.7357% (0.34 0.79 0.27) = 22.736% kept HG3 LYS+ 81 - HN GLU- 12 8.333% * 22.3477% (0.45 0.59 0.24) = 22.348% kept HB2 ARG+ 22 - HN GLU- 12 8.333% * 20.6154% (0.68 0.36 0.02) = 20.615% kept HB3 LEU 17 - HN GLU- 12 8.333% * 5.4036% (0.34 0.19 0.02) = 5.404% kept HG3 LYS+ 81 - HN ASN 89 8.333% * 1.6560% (0.07 0.29 0.02) = 1.656% kept HB2 ARG+ 22 - HN ASN 89 8.333% * 0.7255% (0.10 0.08 0.02) = 0.725% HB3 LYS+ 20 - HN GLU- 12 8.333% * 0.3336% (0.20 0.02 0.02) = 0.334% QG2 THR 46 - HN ASN 89 8.333% * 0.0877% (0.05 0.02 0.02) = 0.088% HB3 LEU 17 - HN ASN 89 8.333% * 0.0877% (0.05 0.02 0.02) = 0.088% HB3 LYS+ 20 - HN ASN 89 8.333% * 0.0509% (0.03 0.02 0.02) = 0.051% QB ALA 11 - HN ASN 89 8.333% * 0.0450% (0.03 0.02 0.02) = 0.045% Peak 613 (2.20, 8.25, 120.21 ppm): 30 chemical-shift based assignments, quality = 0.651, support = 0.395, residual support = 0.132: HG2 PRO 112 - HN GLU- 12 3.333% * 50.0055% (0.96 0.49 0.22) = 50.006% kept HB2 ASP- 82 - HN GLU- 12 3.333% * 16.1125% (0.24 0.63 0.10) = 16.112% kept HG3 GLU- 18 - HN GLU- 12 3.333% * 14.1059% (0.43 0.31 0.02) = 14.106% kept HB2 GLU- 50 - HN GLU- 12 3.333% * 4.0873% (0.51 0.08 0.02) = 4.087% kept HG2 MET 126 - HN GLU- 12 3.333% * 1.8942% (0.89 0.02 0.02) = 1.894% kept HG3 MET 126 - HN GLU- 12 3.333% * 1.5682% (0.74 0.02 0.02) = 1.568% kept HB3 GLU- 75 - HN GLU- 12 3.333% * 1.4125% (0.17 0.08 0.02) = 1.412% kept HG3 MET 97 - HN GLU- 12 3.333% * 1.3274% (0.63 0.02 0.02) = 1.327% kept HA1 GLY 58 - HN GLU- 12 3.333% * 1.3274% (0.63 0.02 0.02) = 1.327% kept HB VAL 99 - HN GLU- 12 3.333% * 0.9200% (0.43 0.02 0.02) = 0.920% HB3 PRO 104 - HN GLU- 12 3.333% * 0.8436% (0.40 0.02 0.02) = 0.844% HG3 GLN 102 - HN GLU- 12 3.333% * 0.6999% (0.33 0.02 0.02) = 0.700% HG2 PRO 112 - HN ASN 89 3.333% * 0.5749% (0.27 0.02 0.02) = 0.575% HG2 MET 126 - HN ASN 89 3.333% * 0.5331% (0.25 0.02 0.02) = 0.533% HG3 GLU- 109 - HN GLU- 12 3.333% * 0.5117% (0.24 0.02 0.02) = 0.512% HB2 PRO 52 - HN GLU- 12 3.333% * 0.5117% (0.24 0.02 0.02) = 0.512% HG2 GLN 102 - HN GLU- 12 3.333% * 0.4568% (0.22 0.02 0.02) = 0.457% HG3 MET 126 - HN ASN 89 3.333% * 0.4414% (0.21 0.02 0.02) = 0.441% HA1 GLY 58 - HN ASN 89 3.333% * 0.3736% (0.18 0.02 0.02) = 0.374% HG3 MET 97 - HN ASN 89 3.333% * 0.3736% (0.18 0.02 0.02) = 0.374% HB2 GLU- 50 - HN ASN 89 3.333% * 0.3038% (0.14 0.02 0.02) = 0.304% HG3 GLU- 18 - HN ASN 89 3.333% * 0.2589% (0.12 0.02 0.02) = 0.259% HB VAL 99 - HN ASN 89 3.333% * 0.2589% (0.12 0.02 0.02) = 0.259% HB3 PRO 104 - HN ASN 89 3.333% * 0.2374% (0.11 0.02 0.02) = 0.237% HG3 GLN 102 - HN ASN 89 3.333% * 0.1970% (0.09 0.02 0.02) = 0.197% HB2 PRO 52 - HN ASN 89 3.333% * 0.1440% (0.07 0.02 0.02) = 0.144% HB2 ASP- 82 - HN ASN 89 3.333% * 0.1440% (0.07 0.02 0.02) = 0.144% HG3 GLU- 109 - HN ASN 89 3.333% * 0.1440% (0.07 0.02 0.02) = 0.144% HG2 GLN 102 - HN ASN 89 3.333% * 0.1286% (0.06 0.02 0.02) = 0.129% HB3 GLU- 75 - HN ASN 89 3.333% * 0.1022% (0.05 0.02 0.02) = 0.102% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 614 (7.71, 8.24, 120.21 ppm): 4 chemical-shift based assignments, quality = 0.98, support = 0.738, residual support = 1.33: HN VAL 13 - HN GLU- 12 25.000% * 98.4637% (1.00 0.75 1.35) = 98.464% kept HN ALA 42 - HN GLU- 12 25.000% * 0.9855% (0.37 0.02 0.02) = 0.985% HN VAL 13 - HN ASN 89 25.000% * 0.4005% (0.15 0.02 0.10) = 0.401% HN ALA 42 - HN ASN 89 25.000% * 0.1503% (0.06 0.02 0.02) = 0.150% Peak 619 (7.97, 7.96, 120.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 620 (0.89, 7.96, 120.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 621 (7.75, 7.96, 120.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 622 (1.14, 7.96, 120.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 623 (0.70, 7.96, 120.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 625 (8.06, 8.26, 120.16 ppm): 10 chemical-shift based assignments, quality = 0.518, support = 1.12, residual support = 0.638: HN ASN 15 - HN GLU- 12 10.000% * 32.7760% (0.57 1.57 1.19) = 32.776% kept HN MET 118 - HN GLU- 12 10.000% * 28.6131% (0.59 1.33 0.65) = 28.613% kept HN ASN 15 - HN ASN 89 10.000% * 12.7836% (0.69 0.50 0.44) = 12.784% kept HN LYS+ 110 - HN GLU- 12 10.000% * 8.9193% (0.26 0.92 0.02) = 8.919% kept HN GLU- 75 - HN ASN 89 10.000% * 8.0909% (0.38 0.58 0.02) = 8.091% kept HN GLU- 75 - HN GLU- 12 10.000% * 5.8016% (0.31 0.51 0.02) = 5.802% kept HN CYS 121 - HN GLU- 12 10.000% * 2.0194% (0.26 0.21 0.02) = 2.019% kept HN MET 118 - HN ASN 89 10.000% * 0.5246% (0.71 0.02 0.02) = 0.525% HN CYS 121 - HN ASN 89 10.000% * 0.2357% (0.32 0.02 0.02) = 0.236% HN LYS+ 110 - HN ASN 89 10.000% * 0.2357% (0.32 0.02 0.02) = 0.236% Peak 626 (0.95, 8.74, 120.07 ppm): 10 chemical-shift based assignments, quality = 0.736, support = 3.67, residual support = 24.1: * QG2 VAL 62 - HN VAL 62 10.000% * 73.8290% (0.77 4.64 32.46) = 73.829% kept QG2 VAL 99 - HN VAL 62 10.000% * 13.4704% (0.57 1.16 1.04) = 13.470% kept QG2 ILE 29 - HN VAL 62 10.000% * 11.3606% (0.77 0.71 0.02) = 11.361% kept QG2 VAL 73 - HN VAL 62 10.000% * 0.3201% (0.78 0.02 0.02) = 0.320% QG1 VAL 105 - HN VAL 62 10.000% * 0.2452% (0.60 0.02 0.02) = 0.245% QD1 LEU 17 - HN VAL 62 10.000% * 0.2330% (0.57 0.02 0.02) = 0.233% QG2 VAL 105 - HN VAL 62 10.000% * 0.2204% (0.54 0.02 0.02) = 0.220% HG12 ILE 68 - HN VAL 62 10.000% * 0.1319% (0.32 0.02 0.02) = 0.132% HG3 LYS+ 110 - HN VAL 62 10.000% * 0.1094% (0.27 0.02 0.02) = 0.109% QG2 VAL 80 - HN VAL 62 10.000% * 0.0800% (0.19 0.02 0.88) = 0.080% Peak 627 (8.74, 8.74, 120.07 ppm): 1 diagonal assignment: * HN VAL 62 - HN VAL 62 (0.51) kept Peak 628 (4.35, 8.74, 120.07 ppm): 6 chemical-shift based assignments, quality = 0.492, support = 3.72, residual support = 12.9: * HB THR 61 - HN VAL 62 16.667% * 70.6287% (0.54 4.77 18.09) = 70.629% kept HA LYS+ 60 - HN VAL 62 16.667% * 16.1409% (0.32 1.82 0.45) = 16.141% kept HA2 GLY 26 - HN VAL 62 16.667% * 6.5502% (0.63 0.38 0.02) = 6.550% kept HA TRP 51 - HN VAL 62 16.667% * 4.2473% (0.35 0.44 0.02) = 4.247% kept HA ALA 37 - HN VAL 62 16.667% * 2.3132% (0.24 0.35 0.02) = 2.313% kept HA SER 27 - HN VAL 62 16.667% * 0.1198% (0.22 0.02 0.02) = 0.120% Peak 629 (2.05, 8.74, 120.07 ppm): 14 chemical-shift based assignments, quality = 0.285, support = 2.77, residual support = 24.6: * O HB VAL 62 - HN VAL 62 7.143% * 73.9786% (0.27 10.0 3.22 32.46) = 73.979% kept HB3 GLU- 64 - HN VAL 62 7.143% * 8.4473% (0.27 1.0 2.28 3.42) = 8.447% kept HG3 GLU- 64 - HN VAL 62 7.143% * 7.5181% (0.38 1.0 1.42 3.42) = 7.518% kept HG2 PRO 112 - HN VAL 62 7.143% * 5.6731% (0.53 1.0 0.77 0.10) = 5.673% kept HB ILE 101 - HN VAL 62 7.143% * 3.3346% (0.19 1.0 1.23 0.77) = 3.335% kept HG3 PRO 86 - HN VAL 62 7.143% * 0.2169% (0.78 1.0 0.02 0.02) = 0.217% HB2 GLU- 45 - HN VAL 62 7.143% * 0.2126% (0.77 1.0 0.02 0.50) = 0.213% HB3 LYS+ 110 - HN VAL 62 7.143% * 0.1737% (0.63 1.0 0.02 0.02) = 0.174% HB3 GLU- 75 - HN VAL 62 7.143% * 0.1508% (0.54 1.0 0.02 0.02) = 0.151% HB3 GLU- 54 - HN VAL 62 7.143% * 0.0972% (0.35 1.0 0.02 0.02) = 0.097% HB3 GLU- 10 - HN VAL 62 7.143% * 0.0740% (0.27 1.0 0.02 0.02) = 0.074% HB3 PRO 31 - HN VAL 62 7.143% * 0.0603% (0.22 1.0 0.02 0.02) = 0.060% HB3 GLU- 107 - HN VAL 62 7.143% * 0.0335% (0.12 1.0 0.02 0.02) = 0.033% HG2 PRO 116 - HN VAL 62 7.143% * 0.0294% (0.11 1.0 0.02 0.02) = 0.029% Peak 630 (4.69, 8.74, 120.07 ppm): 9 chemical-shift based assignments, quality = 0.32, support = 3.11, residual support = 17.2: * O HA THR 61 - HN VAL 62 11.111% * 94.9159% (0.32 10.0 3.26 18.09) = 94.916% kept HA VAL 99 - HN VAL 62 11.111% * 3.4717% (0.44 1.0 0.53 1.04) = 3.472% kept HA THR 39 - HN VAL 62 11.111% * 0.9678% (0.22 1.0 0.30 0.02) = 0.968% HA ASN 89 - HN VAL 62 11.111% * 0.1849% (0.63 1.0 0.02 0.02) = 0.185% HA GLN 16 - HN VAL 62 11.111% * 0.1677% (0.57 1.0 0.02 0.02) = 0.168% HA TYR 83 - HN VAL 62 11.111% * 0.1307% (0.44 1.0 0.02 0.13) = 0.131% HA PRO 35 - HN VAL 62 11.111% * 0.0788% (0.27 1.0 0.02 0.02) = 0.079% HA2 GLY 30 - HN VAL 62 11.111% * 0.0514% (0.17 1.0 0.02 0.02) = 0.051% HA LYS+ 120 - HN VAL 62 11.111% * 0.0312% (0.11 1.0 0.02 0.02) = 0.031% Peak 631 (7.82, 8.74, 120.07 ppm): 3 chemical-shift based assignments, quality = 0.719, support = 5.27, residual support = 18.1: * T HN LYS+ 63 - HN VAL 62 33.333% * 90.1096% (0.74 10.00 5.82 20.03) = 90.110% kept T HN LYS+ 55 - HN VAL 62 33.333% * 9.8579% (0.54 10.00 0.30 0.02) = 9.858% kept HN ALA 93 - HN VAL 62 33.333% * 0.0325% (0.27 1.00 0.02 0.02) = 0.032% Peak 632 (1.11, 8.74, 120.07 ppm): 5 chemical-shift based assignments, quality = 0.595, support = 4.05, residual support = 15.0: * QG2 THR 61 - HN VAL 62 20.000% * 82.4965% (0.57 4.75 18.09) = 82.497% kept QG2 THR 79 - HN VAL 62 20.000% * 17.1429% (0.74 0.76 0.44) = 17.143% kept HD3 LYS+ 111 - HN VAL 62 20.000% * 0.1476% (0.24 0.02 0.02) = 0.148% HG3 LYS+ 32 - HN VAL 62 20.000% * 0.1065% (0.17 0.02 0.02) = 0.106% QG2 THR 95 - HN VAL 62 20.000% * 0.1065% (0.17 0.02 0.02) = 0.106% Peak 633 (3.43, 8.74, 120.07 ppm): 4 chemical-shift based assignments, quality = 0.635, support = 4.0, residual support = 30.9: * O HA VAL 62 - HN VAL 62 25.000% * 93.4301% (0.63 10.0 4.21 32.46) = 93.430% kept HA ILE 48 - HN VAL 62 25.000% * 6.4941% (0.78 1.0 1.12 9.49) = 6.494% kept HA VAL 40 - HN VAL 62 25.000% * 0.0398% (0.27 1.0 0.02 0.02) = 0.040% HA VAL 80 - HN VAL 62 25.000% * 0.0360% (0.24 1.0 0.02 0.88) = 0.036% Peak 634 (8.42, 8.42, 120.11 ppm): 1 diagonal assignment: HN LYS+ 117 - HN LYS+ 117 (0.56) kept Reference assignment not found: HN ASN 15 - HN ASN 15 Peak 636 (2.77, 8.42, 120.11 ppm): 1 chemical-shift based assignment, quality = 0.407, support = 0.02, residual support = 0.02: HB2 ASN 119 - HN LYS+ 117 100.000% *100.0000% (0.41 0.02 0.02) = 100.000% kept Reference assignment not found: HB3 ASN 15 - HN ASN 15 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 637 (2.79, 8.28, 120.11 ppm): 10 chemical-shift based assignments, quality = 0.284, support = 1.84, residual support = 3.75: * O HB3 ASN 89 - HN ASN 89 10.000% * 92.1549% (0.24 10.0 1.98 3.97) = 92.155% kept HB2 ASN 119 - HN ASN 89 10.000% * 5.6118% (0.93 1.0 0.32 1.50) = 5.612% kept HE3 LYS+ 32 - HN ASN 89 10.000% * 1.0901% (0.56 1.0 0.10 0.02) = 1.090% kept HE3 LYS+ 111 - HN ASN 89 10.000% * 0.7628% (0.37 1.0 0.11 0.02) = 0.763% HA2 GLY 58 - HN ASN 89 10.000% * 0.2266% (0.60 1.0 0.02 0.02) = 0.227% HB2 ASN 119 - HN GLU- 12 10.000% * 0.0530% (0.14 1.0 0.02 0.02) = 0.053% HA2 GLY 58 - HN GLU- 12 10.000% * 0.0340% (0.09 1.0 0.02 0.02) = 0.034% HE3 LYS+ 32 - HN GLU- 12 10.000% * 0.0317% (0.08 1.0 0.02 0.02) = 0.032% HE3 LYS+ 111 - HN GLU- 12 10.000% * 0.0210% (0.06 1.0 0.02 0.02) = 0.021% HB3 ASN 89 - HN GLU- 12 10.000% * 0.0140% (0.04 1.0 0.02 0.02) = 0.014% Peak 639 (8.41, 8.42, 119.97 ppm): 1 diagonal assignment: * HN LYS+ 117 - HN LYS+ 117 (0.90) kept Peak 640 (1.79, 8.42, 119.97 ppm): 12 chemical-shift based assignments, quality = 0.788, support = 0.955, residual support = 0.658: HG3 LYS+ 63 - HN LYS+ 117 8.333% * 47.9968% (0.86 1.31 0.73) = 47.997% kept HG2 PRO 31 - HN LYS+ 117 8.333% * 24.8763% (0.88 0.66 0.14) = 24.876% kept HB3 LYS+ 63 - HN LYS+ 117 8.333% * 16.4637% (0.88 0.44 0.73) = 16.464% kept HD3 LYS+ 117 - HN LYS+ 117 8.333% * 7.2797% (0.14 1.19 2.12) = 7.280% kept HB3 LYS+ 108 - HN LYS+ 117 8.333% * 0.7489% (0.88 0.02 0.02) = 0.749% HG3 ARG+ 53 - HN LYS+ 117 8.333% * 0.6339% (0.75 0.02 0.02) = 0.634% HB2 ARG+ 84 - HN LYS+ 117 8.333% * 0.4802% (0.57 0.02 0.02) = 0.480% HG2 ARG+ 84 - HN LYS+ 117 8.333% * 0.4482% (0.53 0.02 0.02) = 0.448% HB3 GLU- 18 - HN LYS+ 117 8.333% * 0.4165% (0.49 0.02 0.02) = 0.417% HB2 GLU- 109 - HN LYS+ 117 8.333% * 0.2971% (0.35 0.02 0.02) = 0.297% HD3 LYS+ 72 - HN LYS+ 117 8.333% * 0.2201% (0.26 0.02 0.02) = 0.220% HG3 LYS+ 108 - HN LYS+ 117 8.333% * 0.1386% (0.16 0.02 0.02) = 0.139% Peak 641 (4.39, 8.42, 119.97 ppm): 16 chemical-shift based assignments, quality = 0.509, support = 0.958, residual support = 3.43: O HA PRO 116 - HN LYS+ 117 6.250% * 95.0379% (0.53 10.0 1.00 3.61) = 95.038% kept HA HIS+ 14 - HN LYS+ 117 6.250% * 2.1287% (0.32 1.0 0.37 0.02) = 2.129% kept HA ASN 57 - HN LYS+ 117 6.250% * 0.3176% (0.88 1.0 0.02 0.02) = 0.318% HA SER 88 - HN LYS+ 117 6.250% * 0.3176% (0.88 1.0 0.02 0.02) = 0.318% HA THR 95 - HN LYS+ 117 6.250% * 0.3099% (0.86 1.0 0.02 0.02) = 0.310% HA ALA 91 - HN LYS+ 117 6.250% * 0.2912% (0.81 1.0 0.02 0.02) = 0.291% HA PRO 104 - HN LYS+ 117 6.250% * 0.2804% (0.78 1.0 0.02 0.02) = 0.280% HA SER 27 - HN LYS+ 117 6.250% * 0.2172% (0.60 1.0 0.02 0.02) = 0.217% HA PRO 112 - HN LYS+ 117 6.250% * 0.2172% (0.60 1.0 0.02 0.02) = 0.217% HA ALA 37 - HN LYS+ 117 6.250% * 0.2036% (0.57 1.0 0.02 0.02) = 0.204% HA LYS+ 60 - HN LYS+ 117 6.250% * 0.1634% (0.45 1.0 0.02 0.02) = 0.163% HA PRO 86 - HN LYS+ 117 6.250% * 0.1634% (0.45 1.0 0.02 0.02) = 0.163% HA TRP 51 - HN LYS+ 117 6.250% * 0.1505% (0.42 1.0 0.02 0.02) = 0.151% HB THR 61 - HN LYS+ 117 6.250% * 0.0837% (0.23 1.0 0.02 0.02) = 0.084% HA2 GLY 26 - HN LYS+ 117 6.250% * 0.0588% (0.16 1.0 0.02 0.02) = 0.059% HA LYS+ 66 - HN LYS+ 117 6.250% * 0.0588% (0.16 1.0 0.02 0.02) = 0.059% Peak 642 (4.79, 8.42, 119.97 ppm): 4 chemical-shift based assignments, quality = 0.297, support = 0.465, residual support = 0.493: HB THR 39 - HN LYS+ 117 25.000% * 78.9621% (0.21 0.58 0.62) = 78.962% kept HA ASN 15 - HN LYS+ 117 25.000% * 10.1485% (0.78 0.02 0.02) = 10.148% kept HA LEU 23 - HN LYS+ 117 25.000% * 7.8599% (0.60 0.02 0.02) = 7.860% kept HA GLU- 18 - HN LYS+ 117 25.000% * 3.0296% (0.23 0.02 0.02) = 3.030% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 643 (4.73, 8.42, 119.97 ppm): 5 chemical-shift based assignments, quality = 0.383, support = 0.324, residual support = 0.436: HA THR 39 - HN LYS+ 117 20.000% * 69.4214% (0.35 0.43 0.62) = 69.421% kept HA2 GLY 30 - HN LYS+ 117 20.000% * 20.5769% (0.42 0.11 0.02) = 20.577% kept HA LYS+ 20 - HN LYS+ 117 20.000% * 6.5448% (0.71 0.02 0.02) = 6.545% kept HA THR 61 - HN LYS+ 117 20.000% * 2.1354% (0.23 0.02 0.02) = 2.135% kept HA VAL 99 - HN LYS+ 117 20.000% * 1.3214% (0.14 0.02 0.02) = 1.321% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 644 (4.20, 8.42, 119.97 ppm): 5 chemical-shift based assignments, quality = 0.585, support = 0.253, residual support = 0.272: HB3 SER 49 - HN LYS+ 117 20.000% * 45.8196% (0.72 0.27 0.55) = 45.820% kept HA GLU- 12 - HN LYS+ 117 20.000% * 28.8262% (0.32 0.39 0.02) = 28.826% kept HA ASP- 82 - HN LYS+ 117 20.000% * 13.6488% (0.75 0.08 0.02) = 13.649% kept HA VAL 73 - HN LYS+ 117 20.000% * 9.0479% (0.49 0.08 0.13) = 9.048% kept HA VAL 65 - HN LYS+ 117 20.000% * 2.6575% (0.57 0.02 0.02) = 2.657% kept Reference assignment not found: HA LYS+ 117 - HN LYS+ 117 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 645 (3.83, 8.42, 119.97 ppm): 7 chemical-shift based assignments, quality = 0.725, support = 1.47, residual support = 2.47: O HA LYS+ 117 - HN LYS+ 117 14.286% * 75.2865% (0.71 10.0 1.00 2.12) = 75.287% kept HD3 PRO 116 - HN LYS+ 117 14.286% * 24.2283% (0.78 1.0 2.94 3.61) = 24.228% kept HA2 GLY 92 - HN LYS+ 117 14.286% * 0.1901% (0.90 1.0 0.02 0.02) = 0.190% HD3 PRO 86 - HN LYS+ 117 14.286% * 0.1506% (0.71 1.0 0.02 0.02) = 0.151% HB3 SER 41 - HN LYS+ 117 14.286% * 0.0739% (0.35 1.0 0.02 0.02) = 0.074% HD3 PRO 112 - HN LYS+ 117 14.286% * 0.0439% (0.21 1.0 0.02 0.02) = 0.044% HB3 SER 88 - HN LYS+ 117 14.286% * 0.0267% (0.13 1.0 0.02 0.02) = 0.027% Peak 649 (8.06, 8.06, 119.92 ppm): 2 diagonal assignments: HN ASN 15 - HN ASN 15 (0.99) kept * HN MET 118 - HN MET 118 (0.95) kept Peak 654 (8.14, 8.14, 119.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 655 (0.92, 8.14, 119.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 656 (0.89, 8.59, 119.88 ppm): 9 chemical-shift based assignments, quality = 0.917, support = 2.87, residual support = 19.2: * QG1 VAL 80 - HN VAL 80 11.111% * 74.8269% (0.98 3.61 25.64) = 74.827% kept QG2 VAL 40 - HN VAL 80 11.111% * 16.1697% (0.82 0.93 0.12) = 16.170% kept HG3 LYS+ 117 - HN VAL 80 11.111% * 5.3410% (0.59 0.42 0.02) = 5.341% kept QG1 VAL 47 - HN VAL 80 11.111% * 1.6110% (0.75 0.10 0.02) = 1.611% kept QD1 LEU 67 - HN VAL 80 11.111% * 1.1622% (0.67 0.08 0.02) = 1.162% kept QG2 VAL 125 - HN VAL 80 11.111% * 0.3467% (0.82 0.02 0.02) = 0.347% QG2 VAL 87 - HN VAL 80 11.111% * 0.3467% (0.82 0.02 0.02) = 0.347% QG2 ILE 100 - HN VAL 80 11.111% * 0.1035% (0.24 0.02 0.02) = 0.103% QD1 LEU 90 - HN VAL 80 11.111% * 0.0924% (0.22 0.02 0.02) = 0.092% Peak 657 (8.58, 8.59, 119.88 ppm): 1 diagonal assignment: * HN VAL 80 - HN VAL 80 (0.93) kept Peak 658 (5.35, 8.59, 119.88 ppm): 1 chemical-shift based assignment, quality = 0.439, support = 3.51, residual support = 16.1: * O HA THR 79 - HN VAL 80 100.000% *100.0000% (0.44 10.0 3.51 16.15) = 100.000% kept Peak 659 (2.25, 8.59, 119.88 ppm): 15 chemical-shift based assignments, quality = 0.466, support = 3.36, residual support = 24.7: * O HB VAL 80 - HN VAL 80 6.667% * 96.3149% (0.48 10.0 3.48 25.64) = 96.315% kept HB3 LYS+ 117 - HN VAL 80 6.667% * 1.6392% (0.40 1.0 0.40 0.02) = 1.639% kept HG3 GLU- 107 - HN VAL 80 6.667% * 0.6925% (0.88 1.0 0.08 0.02) = 0.692% HG2 PRO 112 - HN VAL 80 6.667% * 0.1958% (0.97 1.0 0.02 0.02) = 0.196% HB3 ASN 15 - HN VAL 80 6.667% * 0.1872% (0.93 1.0 0.02 0.02) = 0.187% HG3 GLU- 54 - HN VAL 80 6.667% * 0.1653% (0.82 1.0 0.02 0.02) = 0.165% HG3 GLU- 10 - HN VAL 80 6.667% * 0.1653% (0.82 1.0 0.02 0.02) = 0.165% HG3 GLN 16 - HN VAL 80 6.667% * 0.1584% (0.78 1.0 0.02 0.02) = 0.158% HB3 GLU- 45 - HN VAL 80 6.667% * 0.1437% (0.71 1.0 0.02 0.02) = 0.144% HG3 GLU- 75 - HN VAL 80 6.667% * 0.0813% (0.40 1.0 0.02 0.02) = 0.081% HB2 PRO 52 - HN VAL 80 6.667% * 0.0611% (0.30 1.0 0.02 0.02) = 0.061% HG3 GLU- 109 - HN VAL 80 6.667% * 0.0611% (0.30 1.0 0.02 0.02) = 0.061% HB3 PRO 112 - HN VAL 80 6.667% * 0.0597% (0.30 1.0 0.02 0.02) = 0.060% HG3 GLN 102 - HN VAL 80 6.667% * 0.0441% (0.22 1.0 0.02 0.02) = 0.044% HG3 GLU- 18 - HN VAL 80 6.667% * 0.0305% (0.15 1.0 0.02 0.02) = 0.031% Peak 660 (4.49, 8.59, 119.88 ppm): 9 chemical-shift based assignments, quality = 0.805, support = 3.32, residual support = 13.3: * HB THR 79 - HN VAL 80 11.111% * 82.2961% (0.78 3.97 16.15) = 82.296% kept HA SER 77 - HN VAL 80 11.111% * 8.1500% (0.98 0.32 0.02) = 8.150% kept HA CYS 123 - HN VAL 80 11.111% * 8.1500% (0.98 0.32 0.02) = 8.150% kept HA LYS+ 32 - HN VAL 80 11.111% * 0.3762% (0.71 0.02 0.02) = 0.376% HA MET 126 - HN VAL 80 11.111% * 0.2725% (0.52 0.02 0.02) = 0.273% HA LYS+ 55 - HN VAL 80 11.111% * 0.2725% (0.52 0.02 0.02) = 0.273% HA GLN 102 - HN VAL 80 11.111% * 0.1767% (0.33 0.02 0.02) = 0.177% HA ILE 100 - HN VAL 80 11.111% * 0.1767% (0.33 0.02 0.02) = 0.177% HB THR 46 - HN VAL 80 11.111% * 0.1292% (0.24 0.02 0.02) = 0.129% Peak 661 (3.43, 8.59, 119.88 ppm): 4 chemical-shift based assignments, quality = 0.359, support = 3.8, residual support = 23.8: * O HA VAL 80 - HN VAL 80 25.000% * 92.5043% (0.33 10.0 4.08 25.64) = 92.504% kept HA VAL 62 - HN VAL 80 25.000% * 5.1630% (0.82 1.0 0.46 0.88) = 5.163% kept HA VAL 40 - HN VAL 80 25.000% * 2.0615% (0.37 1.0 0.41 0.12) = 2.062% kept HA ILE 48 - HN VAL 80 25.000% * 0.2712% (0.98 1.0 0.02 0.02) = 0.271% Peak 662 (1.09, 8.59, 119.88 ppm): 3 chemical-shift based assignments, quality = 0.741, support = 2.85, residual support = 11.4: * QG2 THR 79 - HN VAL 80 33.333% * 69.2486% (0.71 3.53 16.15) = 69.249% kept QG2 THR 95 - HN VAL 80 33.333% * 30.2841% (0.82 1.34 0.70) = 30.284% kept QG2 THR 61 - HN VAL 80 33.333% * 0.4673% (0.15 0.11 0.02) = 0.467% Peak 663 (8.24, 8.59, 119.88 ppm): 10 chemical-shift based assignments, quality = 0.882, support = 2.93, residual support = 7.2: * T HN LYS+ 81 - HN VAL 80 10.000% * 71.3661% (0.96 10.00 3.71 9.98) = 71.366% kept T HN THR 106 - HN VAL 80 10.000% * 27.5159% (0.71 10.00 1.04 0.30) = 27.516% kept HN VAL 94 - HN VAL 80 10.000% * 0.7718% (0.27 1.00 0.76 0.02) = 0.772% HN GLU- 12 - HN VAL 80 10.000% * 0.0728% (0.98 1.00 0.02 0.02) = 0.073% HN LEU 67 - HN VAL 80 10.000% * 0.0714% (0.96 1.00 0.02 0.02) = 0.071% HN GLY 58 - HN VAL 80 10.000% * 0.0672% (0.90 1.00 0.02 0.02) = 0.067% HN SER 49 - HN VAL 80 10.000% * 0.0583% (0.78 1.00 0.02 0.02) = 0.058% HN ASP- 115 - HN VAL 80 10.000% * 0.0471% (0.63 1.00 0.02 0.02) = 0.047% HN VAL 105 - HN VAL 80 10.000% * 0.0182% (0.24 1.00 0.02 0.02) = 0.018% HN ALA 11 - HN VAL 80 10.000% * 0.0112% (0.15 1.00 0.02 0.02) = 0.011% Peak 664 (8.79, 8.80, 119.98 ppm): 1 diagonal assignment: * HN SER 69 - HN SER 69 (0.71) kept Peak 665 (4.96, 8.80, 119.98 ppm): 5 chemical-shift based assignments, quality = 0.322, support = 3.3, residual support = 20.1: O HA SER 69 - HN SER 69 20.000% * 94.7824% (0.31 10.0 3.46 21.26) = 94.782% kept HA MET 97 - HN SER 69 20.000% * 3.7449% (0.69 1.0 0.35 0.02) = 3.745% kept HA HIS+ 98 - HN SER 69 20.000% * 1.0941% (0.51 1.0 0.14 0.02) = 1.094% kept HA ILE 101 - HN SER 69 20.000% * 0.3272% (0.28 1.0 0.08 0.02) = 0.327% HA ALA 33 - HN SER 69 20.000% * 0.0513% (0.17 1.0 0.02 0.02) = 0.051% Reference assignment not found: HA ILE 68 - HN SER 69 Peak 666 (0.67, 8.80, 119.98 ppm): 8 chemical-shift based assignments, quality = 0.504, support = 2.36, residual support = 6.67: * QG2 ILE 68 - HN SER 69 12.500% * 61.0738% (0.48 3.55 10.87) = 61.074% kept HG12 ILE 19 - HN SER 69 12.500% * 11.6854% (0.51 0.64 0.13) = 11.685% kept QG2 ILE 48 - HN SER 69 12.500% * 11.0479% (0.73 0.42 0.02) = 11.048% kept QD1 ILE 19 - HN SER 69 12.500% * 8.8013% (0.42 0.58 0.13) = 8.801% kept QG2 VAL 94 - HN SER 69 12.500% * 5.5064% (0.48 0.32 0.02) = 5.506% kept QG2 ILE 101 - HN SER 69 12.500% * 1.2603% (0.39 0.09 0.02) = 1.260% kept QG1 VAL 62 - HN SER 69 12.500% * 0.5317% (0.75 0.02 0.02) = 0.532% QG1 VAL 65 - HN SER 69 12.500% * 0.0931% (0.13 0.02 0.02) = 0.093% Peak 667 (3.70, 8.80, 119.98 ppm): 3 chemical-shift based assignments, quality = 0.719, support = 2.82, residual support = 21.2: * O HB3 SER 69 - HN SER 69 33.333% * 99.8008% (0.72 10.0 2.83 21.26) = 99.801% kept HA LYS+ 81 - HN SER 69 33.333% * 0.1014% (0.73 1.0 0.02 0.43) = 0.101% HB2 TRP 51 - HN SER 69 33.333% * 0.0978% (0.71 1.0 0.02 0.02) = 0.098% Peak 668 (0.91, 8.80, 119.98 ppm): 12 chemical-shift based assignments, quality = 0.5, support = 3.28, residual support = 7.06: * HG12 ILE 68 - HN SER 69 8.333% * 64.3932% (0.48 4.52 10.87) = 64.393% kept QD1 LEU 67 - HN SER 69 8.333% * 25.1875% (0.62 1.37 0.20) = 25.188% kept QG1 VAL 47 - HN SER 69 8.333% * 3.1450% (0.57 0.19 0.02) = 3.145% kept QG2 VAL 105 - HN SER 69 8.333% * 2.9012% (0.28 0.35 0.11) = 2.901% kept QG1 VAL 105 - HN SER 69 8.333% * 2.3858% (0.23 0.35 0.11) = 2.386% kept HG3 LYS+ 117 - HN SER 69 8.333% * 0.3948% (0.67 0.02 0.02) = 0.395% QG2 VAL 80 - HN SER 69 8.333% * 0.3677% (0.62 0.02 0.02) = 0.368% HG3 LYS+ 110 - HN SER 69 8.333% * 0.3197% (0.54 0.02 0.02) = 0.320% QG2 VAL 40 - HN SER 69 8.333% * 0.3024% (0.51 0.02 0.02) = 0.302% QG2 VAL 87 - HN SER 69 8.333% * 0.3024% (0.51 0.02 0.02) = 0.302% QD1 LEU 17 - HN SER 69 8.333% * 0.1502% (0.25 0.02 0.02) = 0.150% QG1 VAL 80 - HN SER 69 8.333% * 0.1502% (0.25 0.02 0.02) = 0.150% Peak 669 (7.95, 8.80, 119.98 ppm): 1 chemical-shift based assignment, quality = 0.72, support = 1.86, residual support = 4.17: * T HN LYS+ 72 - HN SER 69 100.000% *100.0000% (0.72 10.00 1.86 4.17) = 100.000% kept Peak 670 (3.50, 8.80, 119.98 ppm): 2 chemical-shift based assignments, quality = 0.611, support = 0.491, residual support = 0.619: HA1 GLY 30 - HN SER 69 50.000% * 93.0711% (0.65 0.51 0.66) = 93.071% kept HA LYS+ 44 - HN SER 69 50.000% * 6.9289% (0.12 0.21 0.02) = 6.929% kept Peak 671 (0.45, 8.80, 119.98 ppm): 2 chemical-shift based assignments, quality = 0.592, support = 4.35, residual support = 39.4: * QD2 LEU 74 - HN SER 69 50.000% * 93.3968% (0.62 4.56 42.02) = 93.397% kept QD2 LEU 43 - HN SER 69 50.000% * 6.6032% (0.15 1.36 1.67) = 6.603% kept Peak 674 (7.82, 7.83, 119.35 ppm): 1 diagonal assignment: * HN LYS+ 63 - HN LYS+ 63 (0.92) kept Peak 675 (1.78, 7.83, 119.35 ppm): 10 chemical-shift based assignments, quality = 0.64, support = 3.85, residual support = 21.7: * O HB3 LYS+ 63 - HN LYS+ 63 10.000% * 69.3736% (0.52 10.0 3.77 22.47) = 69.374% kept HG3 LYS+ 63 - HN LYS+ 63 10.000% * 27.3104% (0.92 1.0 4.49 22.47) = 27.310% kept HG3 ARG+ 53 - HN LYS+ 63 10.000% * 2.6728% (0.99 1.0 0.41 0.02) = 2.673% kept HB2 ARG+ 84 - HN LYS+ 63 10.000% * 0.1292% (0.98 1.0 0.02 0.02) = 0.129% HG2 ARG+ 84 - HN LYS+ 63 10.000% * 0.1273% (0.96 1.0 0.02 0.02) = 0.127% HB3 GLU- 18 - HN LYS+ 63 10.000% * 0.1247% (0.94 1.0 0.02 0.02) = 0.125% HG2 PRO 31 - HN LYS+ 63 10.000% * 0.1183% (0.89 1.0 0.02 0.02) = 0.118% HB3 LYS+ 108 - HN LYS+ 63 10.000% * 0.0694% (0.52 1.0 0.02 0.02) = 0.069% HD3 PRO 59 - HN LYS+ 63 10.000% * 0.0450% (0.34 1.0 0.02 0.02) = 0.045% HB2 LEU 17 - HN LYS+ 63 10.000% * 0.0294% (0.22 1.0 0.02 0.02) = 0.029% Peak 676 (4.08, 7.83, 119.35 ppm): 7 chemical-shift based assignments, quality = 0.29, support = 3.16, residual support = 18.6: * O HA LYS+ 63 - HN LYS+ 63 14.286% * 82.5807% (0.22 10.0 3.69 22.47) = 82.581% kept HB2 SER 49 - HN LYS+ 63 14.286% * 10.1005% (0.72 1.0 0.75 0.02) = 10.100% kept HB3 SER 49 - HN LYS+ 63 14.286% * 6.0739% (0.55 1.0 0.59 0.02) = 6.074% kept HB THR 38 - HN LYS+ 63 14.286% * 0.7364% (0.48 1.0 0.08 0.02) = 0.736% HA VAL 125 - HN LYS+ 63 14.286% * 0.2400% (0.64 1.0 0.02 0.02) = 0.240% HA THR 24 - HN LYS+ 63 14.286% * 0.1952% (0.52 1.0 0.02 0.02) = 0.195% HA ALA 70 - HN LYS+ 63 14.286% * 0.0734% (0.20 1.0 0.02 0.02) = 0.073% Peak 677 (7.39, 7.83, 119.35 ppm): 2 chemical-shift based assignments, quality = 0.918, support = 5.71, residual support = 22.8: * T HN GLU- 64 - HN LYS+ 63 50.000% * 99.9786% (0.92 10.00 5.71 22.83) = 99.979% kept HE22 GLN 102 - HN LYS+ 63 50.000% * 0.0214% (0.20 1.00 0.02 0.02) = 0.021% Peak 678 (0.95, 7.83, 119.35 ppm): 10 chemical-shift based assignments, quality = 0.92, support = 2.9, residual support = 16.1: * QG2 VAL 62 - HN LYS+ 63 10.000% * 80.4189% (0.94 3.51 20.03) = 80.419% kept QG2 VAL 99 - HN LYS+ 63 10.000% * 9.0858% (0.83 0.45 0.02) = 9.086% kept QG2 ILE 29 - HN LYS+ 63 10.000% * 8.7790% (0.99 0.36 0.02) = 8.779% kept QG2 VAL 73 - HN LYS+ 63 10.000% * 0.4800% (0.99 0.02 0.02) = 0.480% QG1 VAL 105 - HN LYS+ 63 10.000% * 0.3133% (0.64 0.02 0.02) = 0.313% QD1 LEU 17 - HN LYS+ 63 10.000% * 0.2937% (0.60 0.02 0.02) = 0.294% QG2 VAL 105 - HN LYS+ 63 10.000% * 0.2742% (0.56 0.02 0.02) = 0.274% HG12 ILE 68 - HN LYS+ 63 10.000% * 0.1495% (0.31 0.02 0.02) = 0.149% HG3 LYS+ 110 - HN LYS+ 63 10.000% * 0.1208% (0.25 0.02 0.02) = 0.121% QG2 VAL 80 - HN LYS+ 63 10.000% * 0.0848% (0.17 0.02 0.02) = 0.085% Peak 679 (4.36, 7.83, 119.35 ppm): 7 chemical-shift based assignments, quality = 0.669, support = 2.32, residual support = 2.54: * HB THR 61 - HN LYS+ 63 14.286% * 69.2380% (0.76 2.86 3.19) = 69.238% kept HA LYS+ 60 - HN LYS+ 63 14.286% * 22.0785% (0.48 1.43 1.04) = 22.078% kept HA TRP 51 - HN LYS+ 63 14.286% * 6.8218% (0.52 0.41 1.40) = 6.822% kept HA SER 27 - HN LYS+ 63 14.286% * 0.9628% (0.34 0.09 0.02) = 0.963% HA2 GLY 26 - HN LYS+ 63 14.286% * 0.5500% (0.86 0.02 0.02) = 0.550% HA ALA 37 - HN LYS+ 63 14.286% * 0.2379% (0.37 0.02 0.02) = 0.238% HA ALA 91 - HN LYS+ 63 14.286% * 0.1110% (0.17 0.02 0.02) = 0.111% Peak 680 (2.04, 7.83, 119.35 ppm): 14 chemical-shift based assignments, quality = 0.736, support = 2.34, residual support = 20.0: * HG3 GLU- 64 - HN LYS+ 63 7.143% * 47.9678% (0.83 2.61 22.83) = 47.968% kept HB3 GLU- 64 - HN LYS+ 63 7.143% * 39.4915% (0.68 2.61 22.83) = 39.491% kept HG2 PRO 112 - HN LYS+ 63 7.143% * 8.3741% (0.65 0.58 0.02) = 8.374% kept HB3 GLU- 54 - HN LYS+ 63 7.143% * 1.6978% (0.80 0.10 0.02) = 1.698% kept HB3 LYS+ 110 - HN LYS+ 63 7.143% * 0.4388% (0.99 0.02 0.02) = 0.439% HG3 PRO 86 - HN LYS+ 63 7.143% * 0.3673% (0.83 0.02 0.02) = 0.367% HB2 GLU- 45 - HN LYS+ 63 7.143% * 0.3194% (0.72 0.02 0.02) = 0.319% HB3 GLU- 10 - HN LYS+ 63 7.143% * 0.3021% (0.68 0.02 0.02) = 0.302% HB3 PRO 31 - HN LYS+ 63 7.143% * 0.2667% (0.60 0.02 0.02) = 0.267% HB3 GLU- 75 - HN LYS+ 63 7.143% * 0.2644% (0.60 0.02 0.02) = 0.264% HB3 GLU- 107 - HN LYS+ 63 7.143% * 0.1808% (0.41 0.02 0.02) = 0.181% HG2 PRO 116 - HN LYS+ 63 7.143% * 0.1651% (0.37 0.02 0.25) = 0.165% HB2 GLU- 18 - HN LYS+ 63 7.143% * 0.0870% (0.20 0.02 0.02) = 0.087% HG3 PRO 112 - HN LYS+ 63 7.143% * 0.0770% (0.17 0.02 0.02) = 0.077% Peak 681 (1.44, 7.83, 119.35 ppm): 13 chemical-shift based assignments, quality = 0.793, support = 0.829, residual support = 0.811: HG3 LYS+ 113 - HN LYS+ 63 7.692% * 24.9888% (0.96 1.03 1.30) = 24.989% kept HG3 LYS+ 55 - HN LYS+ 63 7.692% * 19.2535% (0.92 0.83 0.72) = 19.253% kept HG3 LYS+ 60 - HN LYS+ 63 7.692% * 16.5972% (0.48 1.35 1.04) = 16.597% kept HG LEU 90 - HN LYS+ 63 7.692% * 10.4648% (0.99 0.42 0.02) = 10.465% kept HG3 ARG+ 22 - HN LYS+ 63 7.692% * 9.0775% (0.92 0.39 0.02) = 9.077% kept HD3 LYS+ 113 - HN LYS+ 63 7.692% * 8.3795% (0.89 0.37 1.30) = 8.380% kept HG3 PRO 52 - HN LYS+ 63 7.692% * 5.1728% (0.15 1.33 1.22) = 5.173% kept HG2 PRO 59 - HN LYS+ 63 7.692% * 2.1475% (0.48 0.18 0.02) = 2.148% kept QG2 THR 38 - HN LYS+ 63 7.692% * 1.6452% (0.80 0.08 0.02) = 1.645% kept QB ALA 37 - HN LYS+ 63 7.692% * 1.4465% (0.22 0.26 0.02) = 1.447% kept QB ALA 91 - HN LYS+ 63 7.692% * 0.3658% (0.72 0.02 0.02) = 0.366% HD3 LYS+ 44 - HN LYS+ 63 7.692% * 0.3055% (0.60 0.02 1.25) = 0.306% HG13 ILE 48 - HN LYS+ 63 7.692% * 0.1555% (0.31 0.02 0.02) = 0.155% Peak 682 (8.74, 7.83, 119.35 ppm): 4 chemical-shift based assignments, quality = 0.743, support = 3.86, residual support = 12.1: * T HN VAL 62 - HN LYS+ 63 25.000% * 59.7605% (0.64 10.00 5.82 20.03) = 59.761% kept T HN GLU- 56 - HN LYS+ 63 25.000% * 40.1128% (0.89 10.00 0.97 0.36) = 40.113% kept HN ILE 101 - HN LYS+ 63 25.000% * 0.0853% (0.92 1.00 0.02 0.02) = 0.085% HN PHE 34 - HN LYS+ 63 25.000% * 0.0414% (0.45 1.00 0.02 0.02) = 0.041% Peak 683 (3.43, 7.83, 119.35 ppm): 4 chemical-shift based assignments, quality = 0.697, support = 4.61, residual support = 19.0: * O HA VAL 62 - HN LYS+ 63 25.000% * 94.9332% (0.68 10.0 4.81 20.03) = 94.933% kept HA ILE 48 - HN LYS+ 63 25.000% * 5.0016% (0.96 1.0 0.75 0.02) = 5.002% kept HA VAL 40 - HN LYS+ 63 25.000% * 0.0345% (0.25 1.0 0.02 0.02) = 0.034% HA VAL 80 - HN LYS+ 63 25.000% * 0.0308% (0.22 1.0 0.02 0.02) = 0.031% Peak 684 (8.75, 8.76, 119.28 ppm): 1 diagonal assignment: * HN PHE 34 - HN PHE 34 (0.73) kept Peak 685 (7.31, 8.76, 119.28 ppm): 7 chemical-shift based assignments, quality = 0.69, support = 2.98, residual support = 36.0: * QD PHE 34 - HN PHE 34 14.286% * 47.0980% (0.90 3.50 41.03) = 47.098% kept QE PHE 34 - HN PHE 34 14.286% * 25.1588% (0.45 3.73 41.03) = 25.159% kept HZ PHE 34 - HN PHE 34 14.286% * 14.3732% (0.45 2.13 41.03) = 14.373% kept HN ILE 48 - HN PHE 34 14.286% * 6.8946% (0.49 0.94 2.63) = 6.895% kept HN VAL 47 - HN PHE 34 14.286% * 6.0507% (0.94 0.43 4.08) = 6.051% kept HN ARG+ 84 - HN PHE 34 14.286% * 0.2900% (0.96 0.02 5.06) = 0.290% HZ2 TRP 51 - HN PHE 34 14.286% * 0.1347% (0.45 0.02 0.02) = 0.135% Peak 686 (4.91, 8.76, 119.28 ppm): 2 chemical-shift based assignments, quality = 0.173, support = 2.96, residual support = 11.8: * O HA ALA 33 - HN PHE 34 50.000% * 91.8345% (0.17 10.0 3.04 8.00) = 91.835% kept HA ILE 19 - HN PHE 34 50.000% * 8.1655% (0.15 1.0 2.02 54.24) = 8.165% kept Peak 687 (2.60, 8.76, 119.28 ppm): 6 chemical-shift based assignments, quality = 0.776, support = 3.75, residual support = 36.2: * O HB2 PHE 34 - HN PHE 34 16.667% * 87.6774% (0.80 10.0 3.96 41.03) = 87.677% kept HB3 PRO 35 - HN PHE 34 16.667% * 9.5432% (0.69 1.0 2.54 1.38) = 9.543% kept HE3 LYS+ 20 - HN PHE 34 16.667% * 2.6355% (0.34 1.0 1.41 2.39) = 2.636% kept HG2 MET 118 - HN PHE 34 16.667% * 0.0982% (0.90 1.0 0.02 0.02) = 0.098% HB2 ASP- 25 - HN PHE 34 16.667% * 0.0273% (0.25 1.0 0.02 0.02) = 0.027% HG2 PRO 112 - HN PHE 34 16.667% * 0.0184% (0.17 1.0 0.02 0.02) = 0.018% Peak 688 (1.13, 8.76, 119.28 ppm): 5 chemical-shift based assignments, quality = 0.76, support = 1.8, residual support = 13.3: * QB ALA 33 - HN PHE 34 20.000% * 47.0257% (0.57 2.52 8.00) = 47.026% kept HG3 LYS+ 32 - HN PHE 34 20.000% * 43.7715% (0.99 1.34 21.84) = 43.772% kept QG2 THR 61 - HN PHE 34 20.000% * 8.4421% (0.73 0.35 0.02) = 8.442% kept HD3 LYS+ 111 - HN PHE 34 20.000% * 0.6588% (1.00 0.02 0.02) = 0.659% QG2 THR 79 - HN PHE 34 20.000% * 0.1019% (0.15 0.02 0.02) = 0.102% Peak 689 (5.01, 8.76, 119.28 ppm): 3 chemical-shift based assignments, quality = 0.652, support = 0.261, residual support = 0.475: HA ILE 68 - HN PHE 34 33.333% * 55.2662% (0.76 0.30 0.84) = 55.266% kept HA PRO 31 - HN PHE 34 33.333% * 26.0392% (0.69 0.16 0.02) = 26.039% kept HA SER 69 - HN PHE 34 33.333% * 18.6945% (0.28 0.28 0.02) = 18.695% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 690 (3.15, 8.76, 119.28 ppm): 6 chemical-shift based assignments, quality = 0.599, support = 3.9, residual support = 40.2: * O HB3 PHE 34 - HN PHE 34 16.667% * 97.8804% (0.61 10.0 3.97 41.03) = 97.880% kept HD3 ARG+ 84 - HN PHE 34 16.667% * 1.8351% (0.31 1.0 0.74 5.06) = 1.835% kept HB3 HIS+ 98 - HN PHE 34 16.667% * 0.1400% (0.87 1.0 0.02 0.02) = 0.140% HE3 LYS+ 117 - HN PHE 34 16.667% * 0.0498% (0.31 1.0 0.02 0.02) = 0.050% HE3 LYS+ 108 - HN PHE 34 16.667% * 0.0498% (0.31 1.0 0.02 0.02) = 0.050% HE3 LYS+ 72 - HN PHE 34 16.667% * 0.0449% (0.28 1.0 0.02 0.02) = 0.045% Peak 691 (8.96, 8.76, 119.28 ppm): 6 chemical-shift based assignments, quality = 0.635, support = 1.84, residual support = 40.7: * T HN ILE 19 - HN PHE 34 16.667% * 74.1817% (0.61 10.00 2.33 54.24) = 74.182% kept T HN ARG+ 22 - HN PHE 34 16.667% * 22.7165% (0.76 10.00 0.49 1.95) = 22.716% kept T HN LEU 17 - HN PHE 34 16.667% * 1.2231% (1.00 10.00 0.02 0.02) = 1.223% kept HN PHE 21 - HN PHE 34 16.667% * 0.9229% (0.57 1.00 0.27 1.86) = 0.923% T HN THR 96 - HN PHE 34 16.667% * 0.8401% (0.69 10.00 0.02 0.02) = 0.840% HN MET 97 - HN PHE 34 16.667% * 0.1157% (0.94 1.00 0.02 0.02) = 0.116% Peak 692 (4.69, 8.17, 119.35 ppm): 8 chemical-shift based assignments, quality = 0.744, support = 4.87, residual support = 62.7: * O HA GLN 16 - HN GLN 16 12.500% * 98.3388% (0.75 10.0 4.94 63.73) = 98.339% kept HA THR 39 - HN GLN 16 12.500% * 1.2876% (0.30 1.0 0.65 0.02) = 1.288% kept HA ASN 89 - HN GLN 16 12.500% * 0.0983% (0.75 1.0 0.02 0.02) = 0.098% HA VAL 99 - HN GLN 16 12.500% * 0.0780% (0.60 1.0 0.02 0.02) = 0.078% HA TYR 83 - HN GLN 16 12.500% * 0.0677% (0.52 1.0 0.02 0.02) = 0.068% HA THR 61 - HN GLN 16 12.500% * 0.0577% (0.44 1.0 0.02 0.02) = 0.058% HA PRO 35 - HN GLN 16 12.500% * 0.0397% (0.30 1.0 0.02 0.02) = 0.040% HA2 GLY 30 - HN GLN 16 12.500% * 0.0321% (0.25 1.0 0.02 0.02) = 0.032% Peak 693 (1.71, 8.17, 119.35 ppm): 4 chemical-shift based assignments, quality = 0.787, support = 4.8, residual support = 63.6: * O HB2 GLN 16 - HN GLN 16 25.000% * 99.8529% (0.79 10.0 4.81 63.73) = 99.853% kept HG2 PRO 52 - HN GLN 16 25.000% * 0.0656% (0.52 1.0 0.02 0.12) = 0.066% HG13 ILE 19 - HN GLN 16 25.000% * 0.0468% (0.37 1.0 0.02 1.50) = 0.047% HD3 LYS+ 55 - HN GLN 16 25.000% * 0.0347% (0.27 1.0 0.02 0.02) = 0.035% Peak 694 (2.78, 8.17, 119.35 ppm): 3 chemical-shift based assignments, quality = 0.884, support = 1.22, residual support = 1.62: HB2 ASN 119 - HN GLN 16 33.333% * 96.5306% (0.91 1.26 1.68) = 96.531% kept HA2 GLY 58 - HN GLN 16 33.333% * 1.8918% (0.22 0.10 0.02) = 1.892% kept HE3 LYS+ 32 - HN GLN 16 33.333% * 1.5775% (0.19 0.10 0.02) = 1.578% kept Reference assignment not found: HB3 ASN 15 - HN GLN 16 Peak 696 (8.17, 8.17, 119.35 ppm): 1 diagonal assignment: * HN GLN 16 - HN GLN 16 (0.98) kept Peak 697 (1.88, 8.17, 119.35 ppm): 15 chemical-shift based assignments, quality = 0.716, support = 4.54, residual support = 61.8: * O HB3 GLN 16 - HN GLN 16 6.667% * 97.0035% (0.71 10.0 4.67 63.73) = 97.003% kept HG3 LYS+ 120 - HN GLN 16 6.667% * 2.2705% (0.98 1.0 0.34 0.02) = 2.271% kept HD3 PRO 52 - HN GLN 16 6.667% * 0.1233% (0.91 1.0 0.02 0.12) = 0.123% HB3 ARG+ 84 - HN GLN 16 6.667% * 0.1198% (0.88 1.0 0.02 0.02) = 0.120% HG2 GLU- 18 - HN GLN 16 6.667% * 0.0970% (0.71 1.0 0.02 1.50) = 0.097% HB3 CYS 123 - HN GLN 16 6.667% * 0.0650% (0.48 1.0 0.02 0.02) = 0.065% HD2 PRO 59 - HN GLN 16 6.667% * 0.0549% (0.40 1.0 0.02 0.55) = 0.055% HB VAL 94 - HN GLN 16 6.667% * 0.0501% (0.37 1.0 0.02 0.02) = 0.050% HB2 PRO 112 - HN GLN 16 6.667% * 0.0487% (0.36 1.0 0.02 0.02) = 0.049% HB3 ARG+ 53 - HN GLN 16 6.667% * 0.0456% (0.34 1.0 0.02 0.02) = 0.046% HG2 PRO 112 - HN GLN 16 6.667% * 0.0305% (0.22 1.0 0.02 0.02) = 0.031% HB2 PRO 104 - HN GLN 16 6.667% * 0.0264% (0.19 1.0 0.02 0.02) = 0.026% HB3 LYS+ 72 - HN GLN 16 6.667% * 0.0234% (0.17 1.0 0.02 0.02) = 0.023% HB3 LYS+ 60 - HN GLN 16 6.667% * 0.0206% (0.15 1.0 0.02 0.02) = 0.021% HB3 GLN 102 - HN GLN 16 6.667% * 0.0206% (0.15 1.0 0.02 1.68) = 0.021% Peak 698 (2.25, 8.17, 119.35 ppm): 16 chemical-shift based assignments, quality = 0.86, support = 3.77, residual support = 46.4: * HG3 GLN 16 - HN GLN 16 6.250% * 72.6131% (0.85 4.71 63.73) = 72.613% kept HB3 ASN 15 - HN GLN 16 6.250% * 24.8941% (0.96 1.43 0.30) = 24.894% kept HG2 PRO 112 - HN GLN 16 6.250% * 0.3525% (0.98 0.02 0.02) = 0.352% HG3 GLU- 10 - HN GLN 16 6.250% * 0.3191% (0.88 0.02 0.02) = 0.319% HG3 GLU- 107 - HN GLN 16 6.250% * 0.2972% (0.82 0.02 0.30) = 0.297% HB3 GLU- 45 - HN GLN 16 6.250% * 0.2849% (0.79 0.02 0.02) = 0.285% HG3 GLU- 54 - HN GLN 16 6.250% * 0.2719% (0.75 0.02 0.02) = 0.272% HB VAL 80 - HN GLN 16 6.250% * 0.1463% (0.40 0.02 0.02) = 0.146% HG3 GLU- 109 - HN GLN 16 6.250% * 0.1335% (0.37 0.02 0.02) = 0.134% HB2 PRO 52 - HN GLN 16 6.250% * 0.1335% (0.37 0.02 0.12) = 0.134% HB3 LYS+ 117 - HN GLN 16 6.250% * 0.1214% (0.34 0.02 0.02) = 0.121% HG3 GLU- 75 - HN GLN 16 6.250% * 0.1214% (0.34 0.02 0.02) = 0.121% HG3 GLN 102 - HN GLN 16 6.250% * 0.0989% (0.27 0.02 1.68) = 0.099% HB3 PRO 112 - HN GLN 16 6.250% * 0.0871% (0.24 0.02 0.02) = 0.087% HG3 GLU- 18 - HN GLN 16 6.250% * 0.0704% (0.19 0.02 1.50) = 0.070% HB2 GLU- 50 - HN GLN 16 6.250% * 0.0549% (0.15 0.02 0.88) = 0.055% Peak 699 (2.08, 8.17, 119.35 ppm): 12 chemical-shift based assignments, quality = 0.911, support = 3.51, residual support = 52.8: * HG2 GLN 16 - HN GLN 16 8.333% * 82.8098% (0.95 4.19 63.73) = 82.810% kept HB3 LYS+ 120 - HN GLN 16 8.333% * 6.9666% (0.98 0.34 0.02) = 6.967% kept HB VAL 62 - HN GLN 16 8.333% * 4.6437% (0.85 0.26 0.02) = 4.644% kept HB2 MET 118 - HN GLN 16 8.333% * 3.3910% (0.48 0.34 0.02) = 3.391% kept HB3 GLU- 75 - HN GLN 16 8.333% * 0.3881% (0.93 0.02 0.02) = 0.388% HB ILE 101 - HN GLN 16 8.333% * 0.3877% (0.93 0.02 0.02) = 0.388% HD3 LYS+ 110 - HN GLN 16 8.333% * 0.3282% (0.79 0.02 0.02) = 0.328% HG2 PRO 112 - HN GLN 16 8.333% * 0.3143% (0.75 0.02 0.02) = 0.314% HB2 LYS+ 110 - HN GLN 16 8.333% * 0.2976% (0.71 0.02 0.02) = 0.298% HB VAL 125 - HN GLN 16 8.333% * 0.2652% (0.64 0.02 0.02) = 0.265% HB VAL 65 - HN GLN 16 8.333% * 0.1265% (0.30 0.02 0.02) = 0.127% HB2 GLU- 45 - HN GLN 16 8.333% * 0.0811% (0.19 0.02 0.02) = 0.081% Peak 700 (4.12, 8.25, 118.98 ppm): 18 chemical-shift based assignments, quality = 0.673, support = 0.655, residual support = 1.25: HB3 SER 49 - HN THR 106 5.556% * 31.7063% (0.89 0.71 0.45) = 31.706% kept HA THR 46 - HN LYS+ 81 5.556% * 31.0824% (0.60 1.03 3.54) = 31.082% kept HA THR 46 - HN THR 106 5.556% * 16.6838% (0.91 0.36 0.02) = 16.684% kept HA LYS+ 110 - HN LYS+ 81 5.556% * 6.8758% (0.32 0.43 0.02) = 6.876% kept HA2 GLY 71 - HN THR 106 5.556% * 4.4435% (0.41 0.22 0.02) = 4.444% kept HA2 GLY 71 - HN LYS+ 81 5.556% * 3.1396% (0.27 0.23 0.02) = 3.140% kept HA LYS+ 63 - HN LYS+ 81 5.556% * 1.4074% (0.37 0.08 0.02) = 1.407% kept HA ARG+ 53 - HN THR 106 5.556% * 0.7579% (0.75 0.02 0.02) = 0.758% HA ALA 70 - HN THR 106 5.556% * 0.6015% (0.60 0.02 0.02) = 0.602% HB3 SER 49 - HN LYS+ 81 5.556% * 0.5871% (0.58 0.02 0.02) = 0.587% HA LYS+ 63 - HN THR 106 5.556% * 0.5615% (0.56 0.02 0.02) = 0.561% HA ARG+ 53 - HN LYS+ 81 5.556% * 0.4986% (0.50 0.02 0.02) = 0.499% HA LYS+ 110 - HN THR 106 5.556% * 0.4827% (0.48 0.02 0.02) = 0.483% HA ALA 70 - HN LYS+ 81 5.556% * 0.3957% (0.39 0.02 0.02) = 0.396% HA THR 24 - HN THR 106 5.556% * 0.2473% (0.25 0.02 0.02) = 0.247% HB2 SER 88 - HN THR 106 5.556% * 0.2208% (0.22 0.02 0.02) = 0.221% HA THR 24 - HN LYS+ 81 5.556% * 0.1627% (0.16 0.02 0.02) = 0.163% HB2 SER 88 - HN LYS+ 81 5.556% * 0.1453% (0.14 0.02 0.02) = 0.145% Peak 701 (8.25, 8.26, 118.98 ppm): 2 diagonal assignments: * HN THR 106 - HN THR 106 (0.98) kept HN LYS+ 81 - HN LYS+ 81 (0.35) kept Peak 703 (4.29, 8.25, 118.98 ppm): 30 chemical-shift based assignments, quality = 0.97, support = 2.87, residual support = 18.3: * O HA THR 106 - HN THR 106 3.333% * 98.5445% (0.98 10.0 2.91 18.53) = 98.544% kept HA CYS 121 - HN THR 106 3.333% * 0.0979% (0.98 1.0 0.02 0.02) = 0.098% HB3 CYS 121 - HN THR 106 3.333% * 0.0979% (0.98 1.0 0.02 0.02) = 0.098% HA LEU 90 - HN THR 106 3.333% * 0.0886% (0.88 1.0 0.02 0.02) = 0.089% HA ASP- 36 - HN THR 106 3.333% * 0.0857% (0.86 1.0 0.02 0.02) = 0.086% HA VAL 122 - HN THR 106 3.333% * 0.0825% (0.82 1.0 0.02 0.02) = 0.082% HA THR 106 - HN LYS+ 81 3.333% * 0.0648% (0.65 1.0 0.02 2.05) = 0.065% HA CYS 121 - HN LYS+ 81 3.333% * 0.0644% (0.64 1.0 0.02 0.02) = 0.064% HB3 CYS 121 - HN LYS+ 81 3.333% * 0.0644% (0.64 1.0 0.02 0.02) = 0.064% HA VAL 94 - HN THR 106 3.333% * 0.0639% (0.64 1.0 0.02 0.02) = 0.064% HA ARG+ 84 - HN THR 106 3.333% * 0.0599% (0.60 1.0 0.02 0.02) = 0.060% HA PRO 52 - HN THR 106 3.333% * 0.0599% (0.60 1.0 0.02 0.02) = 0.060% HA SER 85 - HN THR 106 3.333% * 0.0599% (0.60 1.0 0.02 0.02) = 0.060% HA LEU 90 - HN LYS+ 81 3.333% * 0.0583% (0.58 1.0 0.02 0.02) = 0.058% HA ASP- 36 - HN LYS+ 81 3.333% * 0.0564% (0.56 1.0 0.02 0.02) = 0.056% HA VAL 122 - HN LYS+ 81 3.333% * 0.0543% (0.54 1.0 0.02 0.02) = 0.054% HA VAL 94 - HN LYS+ 81 3.333% * 0.0420% (0.42 1.0 0.02 0.28) = 0.042% HA PRO 52 - HN LYS+ 81 3.333% * 0.0394% (0.39 1.0 0.02 0.02) = 0.039% HA ARG+ 84 - HN LYS+ 81 3.333% * 0.0394% (0.39 1.0 0.02 7.16) = 0.039% HA SER 85 - HN LYS+ 81 3.333% * 0.0394% (0.39 1.0 0.02 0.02) = 0.039% HA GLU- 56 - HN THR 106 3.333% * 0.0371% (0.37 1.0 0.02 0.02) = 0.037% HA ILE 29 - HN THR 106 3.333% * 0.0371% (0.37 1.0 0.02 0.02) = 0.037% HA GLU- 64 - HN THR 106 3.333% * 0.0246% (0.25 1.0 0.02 0.02) = 0.025% HA GLU- 56 - HN LYS+ 81 3.333% * 0.0244% (0.24 1.0 0.02 0.02) = 0.024% HA ILE 29 - HN LYS+ 81 3.333% * 0.0244% (0.24 1.0 0.02 0.02) = 0.024% HA ALA 93 - HN THR 106 3.333% * 0.0220% (0.22 1.0 0.02 0.02) = 0.022% HA GLU- 75 - HN THR 106 3.333% * 0.0220% (0.22 1.0 0.02 0.02) = 0.022% HA GLU- 64 - HN LYS+ 81 3.333% * 0.0162% (0.16 1.0 0.02 0.02) = 0.016% HA ALA 93 - HN LYS+ 81 3.333% * 0.0145% (0.14 1.0 0.02 0.11) = 0.014% HA GLU- 75 - HN LYS+ 81 3.333% * 0.0145% (0.14 1.0 0.02 0.02) = 0.014% Peak 706 (2.00, 8.25, 118.98 ppm): 36 chemical-shift based assignments, quality = 0.411, support = 1.17, residual support = 3.45: * HB3 GLU- 107 - HN THR 106 2.778% * 49.8050% (0.48 2.01 6.73) = 49.805% kept HB2 HIS+ 14 - HN THR 106 2.778% * 7.9236% (0.86 0.18 0.02) = 7.924% kept HB VAL 73 - HN THR 106 2.778% * 6.6915% (0.17 0.75 0.11) = 6.691% kept HB VAL 73 - HN LYS+ 81 2.778% * 6.4761% (0.11 1.10 1.30) = 6.476% kept HB2 LYS+ 108 - HN THR 106 2.778% * 4.6649% (0.68 0.13 0.02) = 4.665% kept HB2 HIS+ 14 - HN LYS+ 81 2.778% * 4.5117% (0.56 0.16 0.02) = 4.512% kept HG3 PRO 104 - HN THR 106 2.778% * 2.9947% (0.22 0.26 0.02) = 2.995% kept HB3 PRO 31 - HN LYS+ 81 2.778% * 2.7106% (0.20 0.26 0.02) = 2.711% kept HB2 GLU- 18 - HN LYS+ 81 2.778% * 2.2922% (0.50 0.09 0.02) = 2.292% kept HG3 PRO 104 - HN LYS+ 81 2.778% * 1.3378% (0.14 0.18 0.02) = 1.338% kept HB3 GLU- 75 - HN THR 106 2.778% * 1.1913% (0.24 0.09 0.02) = 1.191% kept HB3 MET 118 - HN THR 106 2.778% * 0.8837% (0.86 0.02 0.02) = 0.884% HG3 PRO 112 - HN THR 106 2.778% * 0.8158% (0.79 0.02 0.02) = 0.816% HB2 GLU- 18 - HN THR 106 2.778% * 0.7786% (0.75 0.02 0.02) = 0.779% HB3 MET 118 - HN LYS+ 81 2.778% * 0.5814% (0.56 0.02 0.02) = 0.581% HG2 PRO 112 - HN THR 106 2.778% * 0.5468% (0.53 0.02 0.02) = 0.547% HG3 PRO 112 - HN LYS+ 81 2.778% * 0.5367% (0.52 0.02 0.02) = 0.537% HG2 PRO 116 - HN THR 106 2.778% * 0.5360% (0.52 0.02 0.02) = 0.536% HB2 PRO 86 - HN THR 106 2.778% * 0.4959% (0.48 0.02 0.02) = 0.496% HB2 LYS+ 108 - HN LYS+ 81 2.778% * 0.4604% (0.45 0.02 0.02) = 0.460% HG2 PRO 112 - HN LYS+ 81 2.778% * 0.3597% (0.35 0.02 0.02) = 0.360% HG2 PRO 116 - HN LYS+ 81 2.778% * 0.3526% (0.34 0.02 0.02) = 0.353% HB3 GLU- 107 - HN LYS+ 81 2.778% * 0.3262% (0.32 0.02 0.02) = 0.326% HB2 PRO 86 - HN LYS+ 81 2.778% * 0.3262% (0.32 0.02 0.02) = 0.326% HB3 GLU- 56 - HN THR 106 2.778% * 0.3144% (0.30 0.02 0.02) = 0.314% HB3 PRO 31 - HN THR 106 2.778% * 0.3144% (0.30 0.02 0.02) = 0.314% HB3 GLU- 10 - HN THR 106 2.778% * 0.2540% (0.25 0.02 0.02) = 0.254% HB3 GLU- 64 - HN THR 106 2.778% * 0.2540% (0.25 0.02 0.02) = 0.254% HB3 GLU- 56 - HN LYS+ 81 2.778% * 0.2069% (0.20 0.02 0.02) = 0.207% HB3 GLU- 54 - HN THR 106 2.778% * 0.1784% (0.17 0.02 0.02) = 0.178% HB3 GLU- 10 - HN LYS+ 81 2.778% * 0.1671% (0.16 0.02 0.02) = 0.167% HB3 GLU- 64 - HN LYS+ 81 2.778% * 0.1671% (0.16 0.02 0.02) = 0.167% HB3 GLU- 75 - HN LYS+ 81 2.778% * 0.1663% (0.16 0.02 0.02) = 0.166% HG3 GLU- 64 - HN THR 106 2.778% * 0.1572% (0.15 0.02 0.02) = 0.157% HB3 GLU- 54 - HN LYS+ 81 2.778% * 0.1174% (0.11 0.02 0.02) = 0.117% HG3 GLU- 64 - HN LYS+ 81 2.778% * 0.1034% (0.10 0.02 0.02) = 0.103% Peak 707 (1.66, 8.24, 118.98 ppm): 20 chemical-shift based assignments, quality = 0.73, support = 4.2, residual support = 45.0: * O HB3 LYS+ 81 - HN LYS+ 81 5.000% * 85.8312% (0.75 10.0 4.73 51.89) = 85.831% kept HB3 LYS+ 81 - HN THR 106 5.000% * 5.4498% (0.65 1.0 1.47 2.05) = 5.450% kept HG3 ARG+ 84 - HN LYS+ 81 5.000% * 4.5789% (0.82 1.0 0.97 7.16) = 4.579% kept HG2 ARG+ 22 - HN LYS+ 81 5.000% * 1.7873% (0.37 1.0 0.85 0.02) = 1.787% kept HB3 LYS+ 66 - HN THR 106 5.000% * 1.3764% (0.77 1.0 0.31 0.02) = 1.376% kept HB ILE 100 - HN LYS+ 81 5.000% * 0.1028% (0.89 1.0 0.02 0.02) = 0.103% HB3 LYS+ 66 - HN LYS+ 81 5.000% * 0.1025% (0.89 1.0 0.02 0.02) = 0.103% HB3 MET 97 - HN LYS+ 81 5.000% * 0.1007% (0.87 1.0 0.02 0.02) = 0.101% HB3 MET 126 - HN LYS+ 81 5.000% * 0.0972% (0.84 1.0 0.02 0.02) = 0.097% HB ILE 100 - HN THR 106 5.000% * 0.0890% (0.77 1.0 0.02 0.02) = 0.089% HB3 MET 97 - HN THR 106 5.000% * 0.0872% (0.76 1.0 0.02 0.02) = 0.087% HB3 MET 126 - HN THR 106 5.000% * 0.0842% (0.73 1.0 0.02 0.02) = 0.084% HG3 ARG+ 84 - HN THR 106 5.000% * 0.0822% (0.71 1.0 0.02 0.02) = 0.082% HD3 LYS+ 55 - HN LYS+ 81 5.000% * 0.0461% (0.40 1.0 0.02 0.02) = 0.046% HD3 LYS+ 55 - HN THR 106 5.000% * 0.0399% (0.35 1.0 0.02 0.02) = 0.040% HG2 ARG+ 22 - HN THR 106 5.000% * 0.0366% (0.32 1.0 0.02 0.02) = 0.037% HG13 ILE 19 - HN LYS+ 81 5.000% * 0.0351% (0.30 1.0 0.02 0.02) = 0.035% HG13 ILE 19 - HN THR 106 5.000% * 0.0304% (0.26 1.0 0.02 0.02) = 0.030% HG2 PRO 52 - HN LYS+ 81 5.000% * 0.0229% (0.20 1.0 0.02 0.02) = 0.023% HG2 PRO 52 - HN THR 106 5.000% * 0.0198% (0.17 1.0 0.02 0.02) = 0.020% Peak 708 (7.78, 7.79, 118.77 ppm): 1 diagonal assignment: * HN THR 46 - HN THR 46 (0.90) kept Peak 709 (7.31, 7.79, 118.77 ppm): 7 chemical-shift based assignments, quality = 0.792, support = 3.26, residual support = 9.5: * HN VAL 47 - HN THR 46 14.286% * 59.9466% (0.92 4.56 15.02) = 59.947% kept HN ILE 48 - HN THR 46 14.286% * 14.9758% (0.53 2.00 0.21) = 14.976% kept QD PHE 34 - HN THR 46 14.286% * 12.8794% (0.87 1.04 2.07) = 12.879% kept QE PHE 34 - HN THR 46 14.286% * 5.5361% (0.41 0.94 2.07) = 5.536% kept HZ PHE 34 - HN THR 46 14.286% * 4.2757% (0.41 0.73 2.07) = 4.276% kept HZ2 TRP 51 - HN THR 46 14.286% * 2.1168% (0.41 0.36 0.02) = 2.117% kept HN ARG+ 84 - HN THR 46 14.286% * 0.2697% (0.94 0.02 0.02) = 0.270% Peak 710 (4.51, 7.79, 118.77 ppm): 7 chemical-shift based assignments, quality = 0.839, support = 4.05, residual support = 23.8: * O HB THR 46 - HN THR 46 14.286% * 95.3043% (0.83 10.0 4.21 25.02) = 95.304% kept HA LYS+ 55 - HN THR 46 14.286% * 4.4094% (1.00 1.0 0.77 0.02) = 4.409% kept HB THR 79 - HN THR 46 14.286% * 0.1053% (0.92 1.0 0.02 0.02) = 0.105% HA CYS 123 - HN THR 46 14.286% * 0.0692% (0.61 1.0 0.02 0.02) = 0.069% HA SER 77 - HN THR 46 14.286% * 0.0692% (0.61 1.0 0.02 0.02) = 0.069% HA ALA 103 - HN THR 46 14.286% * 0.0226% (0.20 1.0 0.02 0.31) = 0.023% HA LYS+ 32 - HN THR 46 14.286% * 0.0200% (0.17 1.0 0.02 0.02) = 0.020% Peak 711 (8.21, 7.79, 118.77 ppm): 9 chemical-shift based assignments, quality = 0.948, support = 3.45, residual support = 16.5: * T HN GLU- 45 - HN THR 46 11.111% * 67.4019% (0.99 10.00 4.66 24.18) = 67.402% kept T HN VAL 105 - HN THR 46 11.111% * 28.2108% (0.87 10.00 0.96 0.88) = 28.211% kept HN ALA 11 - HN THR 46 11.111% * 3.7252% (0.96 1.00 1.14 0.16) = 3.725% kept T HN VAL 94 - HN THR 46 11.111% * 0.5680% (0.83 10.00 0.02 0.02) = 0.568% HN ALA 33 - HN THR 46 11.111% * 0.0412% (0.61 1.00 0.02 0.22) = 0.041% HN SER 49 - HN THR 46 11.111% * 0.0210% (0.31 1.00 0.02 0.02) = 0.021% HN GLY 58 - HN THR 46 11.111% * 0.0135% (0.20 1.00 0.02 0.02) = 0.013% HN LEU 67 - HN THR 46 11.111% * 0.0092% (0.14 1.00 0.02 0.02) = 0.009% HN LYS+ 81 - HN THR 46 11.111% * 0.0092% (0.14 1.00 0.02 3.54) = 0.009% Peak 712 (4.10, 7.79, 118.77 ppm): 5 chemical-shift based assignments, quality = 0.649, support = 3.81, residual support = 23.6: * O HA THR 46 - HN THR 46 20.000% * 94.2160% (0.65 10.0 3.99 25.02) = 94.216% kept HB3 SER 49 - HN THR 46 20.000% * 5.3679% (0.75 1.0 0.98 0.02) = 5.368% kept HA LYS+ 63 - HN THR 46 20.000% * 0.1406% (0.96 1.0 0.02 0.02) = 0.141% HA ALA 70 - HN THR 46 20.000% * 0.1378% (0.94 1.0 0.02 0.02) = 0.138% HA THR 24 - HN THR 46 20.000% * 0.1378% (0.94 1.0 0.02 0.02) = 0.138% Peak 713 (2.07, 7.79, 118.77 ppm): 13 chemical-shift based assignments, quality = 0.392, support = 3.51, residual support = 19.1: * HB2 GLU- 45 - HN THR 46 7.692% * 78.8388% (0.31 4.40 24.18) = 78.839% kept HG2 PRO 112 - HN THR 46 7.692% * 12.8214% (0.75 0.29 0.02) = 12.821% kept HB ILE 101 - HN THR 46 7.692% * 1.1590% (1.00 0.02 0.02) = 1.159% kept HB VAL 62 - HN THR 46 7.692% * 1.1210% (0.96 0.02 0.02) = 1.121% kept HB3 LYS+ 120 - HN THR 46 7.692% * 1.1210% (0.96 0.02 0.02) = 1.121% kept HB3 GLU- 75 - HN THR 46 7.692% * 1.0722% (0.92 0.02 0.02) = 1.072% kept HG2 GLN 16 - HN THR 46 7.692% * 1.0076% (0.87 0.02 0.02) = 1.008% kept HD3 LYS+ 110 - HN THR 46 7.692% * 0.7514% (0.65 0.02 0.02) = 0.751% HB2 LYS+ 110 - HN THR 46 7.692% * 0.6576% (0.57 0.02 0.02) = 0.658% HB VAL 125 - HN THR 46 7.692% * 0.5654% (0.49 0.02 0.02) = 0.565% HB2 MET 118 - HN THR 46 7.692% * 0.3962% (0.34 0.02 0.02) = 0.396% HG3 PRO 86 - HN THR 46 7.692% * 0.2586% (0.22 0.02 0.02) = 0.259% HB VAL 65 - HN THR 46 7.692% * 0.2299% (0.20 0.02 0.02) = 0.230% Peak 714 (2.22, 7.79, 118.77 ppm): 14 chemical-shift based assignments, quality = 0.614, support = 3.36, residual support = 16.1: HB3 GLU- 45 - HN THR 46 7.143% * 66.4861% (0.49 4.84 24.18) = 66.486% kept * HB2 GLU- 50 - HN THR 46 7.143% * 17.3485% (1.00 0.62 0.02) = 17.349% kept HG2 PRO 112 - HN THR 46 7.143% * 8.2380% (1.00 0.29 0.02) = 8.238% kept HB2 PRO 52 - HN THR 46 7.143% * 3.9797% (0.90 0.16 0.02) = 3.980% kept HG3 GLU- 18 - HN THR 46 7.143% * 0.5626% (1.00 0.02 0.02) = 0.563% HG3 MET 97 - HN THR 46 7.143% * 0.5442% (0.96 0.02 0.02) = 0.544% HG3 GLN 102 - HN THR 46 7.143% * 0.5442% (0.96 0.02 0.02) = 0.544% HA1 GLY 58 - HN THR 46 7.143% * 0.5442% (0.96 0.02 0.02) = 0.544% HG3 MET 126 - HN THR 46 7.143% * 0.5057% (0.90 0.02 0.02) = 0.506% HG3 GLU- 109 - HN THR 46 7.143% * 0.5057% (0.90 0.02 0.02) = 0.506% HG3 GLN 16 - HN THR 46 7.143% * 0.2318% (0.41 0.02 0.02) = 0.232% HG3 GLU- 10 - HN THR 46 7.143% * 0.2116% (0.37 0.02 0.02) = 0.212% HG2 MET 126 - HN THR 46 7.143% * 0.1568% (0.28 0.02 0.02) = 0.157% HB3 ASN 15 - HN THR 46 7.143% * 0.1406% (0.25 0.02 0.02) = 0.141% Peak 715 (1.31, 7.79, 118.77 ppm): 6 chemical-shift based assignments, quality = 0.754, support = 3.68, residual support = 18.6: * QG2 THR 46 - HN THR 46 16.667% * 73.6290% (0.76 4.73 25.02) = 73.629% kept HB2 LYS+ 55 - HN THR 46 16.667% * 14.2552% (0.73 0.96 0.02) = 14.255% kept QB ALA 103 - HN THR 46 16.667% * 8.5976% (0.94 0.45 0.31) = 8.598% kept HG2 LYS+ 81 - HN THR 46 16.667% * 3.2374% (0.22 0.71 3.54) = 3.237% kept HB2 ARG+ 22 - HN THR 46 16.667% * 0.1676% (0.41 0.02 0.02) = 0.168% HG13 ILE 101 - HN THR 46 16.667% * 0.1133% (0.28 0.02 0.02) = 0.113% Peak 716 (3.87, 7.79, 118.77 ppm): 10 chemical-shift based assignments, quality = 0.984, support = 4.69, residual support = 24.0: * O HA GLU- 45 - HN THR 46 10.000% * 99.3115% (0.99 10.0 4.73 24.18) = 99.311% kept HB3 SER 27 - HN THR 46 10.000% * 0.1000% (1.00 1.0 0.02 0.02) = 0.100% HB3 SER 77 - HN THR 46 10.000% * 0.0948% (0.95 1.0 0.02 0.02) = 0.095% HA2 GLY 114 - HN THR 46 10.000% * 0.0948% (0.95 1.0 0.02 0.02) = 0.095% HB2 SER 85 - HN THR 46 10.000% * 0.0925% (0.92 1.0 0.02 0.02) = 0.092% HB3 SER 88 - HN THR 46 10.000% * 0.0899% (0.90 1.0 0.02 0.02) = 0.090% HD3 PRO 35 - HN THR 46 10.000% * 0.0728% (0.73 1.0 0.02 0.02) = 0.073% HD2 PRO 116 - HN THR 46 10.000% * 0.0648% (0.65 1.0 0.02 0.02) = 0.065% HD2 PRO 86 - HN THR 46 10.000% * 0.0567% (0.57 1.0 0.02 0.02) = 0.057% HA LYS+ 117 - HN THR 46 10.000% * 0.0223% (0.22 1.0 0.02 0.02) = 0.022% Peak 717 (3.70, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.865, support = 4.68, residual support = 44.3: * O HA LYS+ 81 - HN LYS+ 81 16.667% * 84.8621% (0.88 10.0 5.02 51.89) = 84.862% kept HA LYS+ 81 - HN THR 106 16.667% * 12.0273% (0.77 1.0 3.25 2.05) = 12.027% kept HB3 SER 69 - HN LYS+ 81 16.667% * 2.8868% (0.79 1.0 0.76 0.43) = 2.887% kept HB2 TRP 51 - HN LYS+ 81 16.667% * 0.0841% (0.88 1.0 0.02 0.02) = 0.084% HB2 TRP 51 - HN THR 106 16.667% * 0.0733% (0.76 1.0 0.02 0.02) = 0.073% HB3 SER 69 - HN THR 106 16.667% * 0.0663% (0.69 1.0 0.02 0.02) = 0.066% Peak 718 (1.62, 8.24, 118.99 ppm): 20 chemical-shift based assignments, quality = 0.688, support = 0.539, residual support = 0.0646: HG LEU 23 - HN LYS+ 81 5.000% * 17.3110% (0.74 0.71 0.28) = 17.311% kept HG3 LYS+ 78 - HN LYS+ 81 5.000% * 16.5683% (0.88 0.57 0.02) = 16.568% kept HG LEU 43 - HN LYS+ 81 5.000% * 16.3923% (0.82 0.61 0.02) = 16.392% kept HG12 ILE 101 - HN LYS+ 81 5.000% * 13.5939% (0.79 0.52 0.02) = 13.594% kept HD3 LYS+ 32 - HN LYS+ 81 5.000% * 8.8220% (0.43 0.62 0.02) = 8.822% kept HG2 LYS+ 110 - HN LYS+ 81 5.000% * 7.8285% (0.71 0.33 0.02) = 7.828% kept HB ILE 68 - HN THR 106 5.000% * 6.6641% (0.71 0.28 0.02) = 6.664% kept HG2 ARG+ 22 - HN LYS+ 81 5.000% * 6.1878% (0.22 0.85 0.02) = 6.188% kept HB VAL 122 - HN LYS+ 81 5.000% * 2.2552% (0.82 0.08 0.02) = 2.255% kept HB ILE 68 - HN LYS+ 81 5.000% * 0.5415% (0.82 0.02 0.02) = 0.541% HG3 LYS+ 78 - HN THR 106 5.000% * 0.5101% (0.77 0.02 0.02) = 0.510% HB VAL 122 - HN THR 106 5.000% * 0.4719% (0.71 0.02 0.02) = 0.472% HG LEU 43 - HN THR 106 5.000% * 0.4719% (0.71 0.02 0.02) = 0.472% HG12 ILE 101 - HN THR 106 5.000% * 0.4585% (0.69 0.02 0.02) = 0.458% HG LEU 23 - HN THR 106 5.000% * 0.4270% (0.64 0.02 0.02) = 0.427% HG2 LYS+ 110 - HN THR 106 5.000% * 0.4094% (0.62 0.02 0.02) = 0.409% HB3 PRO 52 - HN LYS+ 81 5.000% * 0.3794% (0.57 0.02 0.02) = 0.379% HB3 PRO 52 - HN THR 106 5.000% * 0.3307% (0.50 0.02 0.02) = 0.331% HD3 LYS+ 32 - HN THR 106 5.000% * 0.2488% (0.37 0.02 0.02) = 0.249% HG2 ARG+ 22 - HN THR 106 5.000% * 0.1275% (0.19 0.02 0.02) = 0.127% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 719 (7.54, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.643, support = 3.37, residual support = 11.2: * T HN ASP- 82 - HN LYS+ 81 16.667% * 63.1038% (0.68 10.00 4.56 17.41) = 63.104% kept T HN ASP- 82 - HN THR 106 16.667% * 36.8421% (0.59 10.00 1.34 0.69) = 36.842% kept HD22 ASN 119 - HN LYS+ 81 16.667% * 0.0145% (0.15 1.00 0.02 0.02) = 0.014% HN VAL 65 - HN LYS+ 81 16.667% * 0.0145% (0.15 1.00 0.02 0.02) = 0.014% HD22 ASN 119 - HN THR 106 16.667% * 0.0126% (0.13 1.00 0.02 0.02) = 0.013% HN VAL 65 - HN THR 106 16.667% * 0.0126% (0.13 1.00 0.02 0.02) = 0.013% Peak 720 (8.57, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.493, support = 2.71, residual support = 6.43: * T HN VAL 80 - HN LYS+ 81 16.667% * 63.0219% (0.50 10.00 3.71 9.98) = 63.022% kept T HN VAL 80 - HN THR 106 16.667% * 30.8145% (0.47 10.00 1.04 0.30) = 30.815% kept HN VAL 73 - HN LYS+ 81 16.667% * 3.8894% (0.64 1.00 0.96 1.30) = 3.889% kept HN VAL 73 - HN THR 106 16.667% * 2.1606% (0.60 1.00 0.57 0.11) = 2.161% kept HN THR 39 - HN LYS+ 81 16.667% * 0.0586% (0.46 1.00 0.02 0.02) = 0.059% HN THR 39 - HN THR 106 16.667% * 0.0550% (0.43 1.00 0.02 0.02) = 0.055% Peak 725 (7.20, 8.34, 118.74 ppm): 2 chemical-shift based assignments, quality = 0.913, support = 4.03, residual support = 14.1: * HN TRP 51 - HN GLU- 50 50.000% * 62.3006% (0.91 4.73 14.10) = 62.301% kept HH2 TRP 51 - HN GLU- 50 50.000% * 37.6994% (0.91 2.86 14.10) = 37.699% kept Peak 726 (2.35, 8.34, 118.74 ppm): 7 chemical-shift based assignments, quality = 0.6, support = 4.47, residual support = 21.5: O HB3 GLU- 50 - HN GLU- 50 14.286% * 57.3495% (0.37 10.0 4.25 22.51) = 57.349% kept * HG3 GLU- 50 - HN GLU- 50 14.286% * 38.1355% (0.94 1.0 5.28 22.51) = 38.135% kept HG3 GLU- 56 - HN GLU- 50 14.286% * 2.7955% (0.68 1.0 0.53 0.46) = 2.795% kept HG2 PRO 112 - HN GLU- 50 14.286% * 1.5095% (0.79 1.0 0.25 0.02) = 1.510% kept HB2 GLU- 64 - HN GLU- 50 14.286% * 0.1525% (0.99 1.0 0.02 0.02) = 0.152% HB2 TYR 83 - HN GLU- 50 14.286% * 0.0340% (0.22 1.0 0.02 0.02) = 0.034% HB2 LYS+ 78 - HN GLU- 50 14.286% * 0.0236% (0.15 1.0 0.02 0.02) = 0.024% Peak 727 (1.71, 8.34, 118.74 ppm): 4 chemical-shift based assignments, quality = 0.718, support = 1.35, residual support = 0.668: HB2 GLN 16 - HN GLU- 50 25.000% * 63.9685% (0.92 1.23 0.88) = 63.969% kept HG2 PRO 52 - HN GLU- 50 25.000% * 34.2560% (0.37 1.62 0.30) = 34.256% kept HD3 LYS+ 55 - HN GLU- 50 25.000% * 1.4953% (0.17 0.15 0.02) = 1.495% kept HG13 ILE 19 - HN GLU- 50 25.000% * 0.2802% (0.25 0.02 0.02) = 0.280% Reference assignment not found: HB3 GLU- 50 - HN GLU- 50 Peak 728 (2.22, 8.34, 118.74 ppm): 14 chemical-shift based assignments, quality = 0.968, support = 4.14, residual support = 19.5: O HB2 GLU- 50 - HN GLU- 50 7.143% * 86.6262% (0.99 10.0 4.61 22.51) = 86.626% kept HB2 PRO 52 - HN GLU- 50 7.143% * 5.6611% (0.86 1.0 1.51 0.30) = 5.661% kept HA1 GLY 58 - HN GLU- 50 7.143% * 4.9283% (0.97 1.0 1.16 0.02) = 4.928% kept HG3 GLN 16 - HN GLU- 50 7.143% * 1.1886% (0.37 1.0 0.73 0.88) = 1.189% kept HG2 PRO 112 - HN GLU- 50 7.143% * 1.0735% (0.99 1.0 0.25 0.02) = 1.073% kept HG3 GLU- 18 - HN GLU- 50 7.143% * 0.0859% (0.98 1.0 0.02 0.02) = 0.086% HG3 MET 97 - HN GLU- 50 7.143% * 0.0849% (0.97 1.0 0.02 0.02) = 0.085% HG3 GLN 102 - HN GLU- 50 7.143% * 0.0819% (0.94 1.0 0.02 0.02) = 0.082% HG3 MET 126 - HN GLU- 50 7.143% * 0.0800% (0.91 1.0 0.02 0.02) = 0.080% HG3 GLU- 109 - HN GLU- 50 7.143% * 0.0751% (0.86 1.0 0.02 0.02) = 0.075% HB3 GLU- 45 - HN GLU- 50 7.143% * 0.0388% (0.44 1.0 0.02 0.02) = 0.039% HG3 GLU- 10 - HN GLU- 50 7.143% * 0.0295% (0.34 1.0 0.02 0.02) = 0.030% HG2 MET 126 - HN GLU- 50 7.143% * 0.0267% (0.31 1.0 0.02 0.02) = 0.027% HB3 ASN 15 - HN GLU- 50 7.143% * 0.0193% (0.22 1.0 0.02 0.02) = 0.019% Peak 729 (4.46, 8.34, 118.74 ppm): 8 chemical-shift based assignments, quality = 0.951, support = 4.92, residual support = 22.4: * O HA GLU- 50 - HN GLU- 50 12.500% * 99.6050% (0.95 10.0 4.94 22.51) = 99.605% kept HA MET 118 - HN GLU- 50 12.500% * 0.0862% (0.83 1.0 0.02 0.02) = 0.086% HA GLN 102 - HN GLU- 50 12.500% * 0.0826% (0.79 1.0 0.02 0.02) = 0.083% HA ILE 100 - HN GLU- 50 12.500% * 0.0826% (0.79 1.0 0.02 1.00) = 0.083% HA MET 126 - HN GLU- 50 12.500% * 0.0626% (0.60 1.0 0.02 0.02) = 0.063% HA LYS+ 32 - HN GLU- 50 12.500% * 0.0424% (0.41 1.0 0.02 0.02) = 0.042% HB THR 24 - HN GLU- 50 12.500% * 0.0204% (0.20 1.0 0.02 0.02) = 0.020% HA LYS+ 111 - HN GLU- 50 12.500% * 0.0181% (0.17 1.0 0.02 0.02) = 0.018% Peak 730 (3.96, 8.34, 118.74 ppm): 3 chemical-shift based assignments, quality = 0.484, support = 1.22, residual support = 1.35: HA LEU 74 - HN GLU- 50 33.333% * 62.9197% (0.44 1.53 2.02) = 62.920% kept HA1 GLY 114 - HN GLU- 50 33.333% * 36.5709% (0.56 0.71 0.21) = 36.571% kept HA1 GLY 92 - HN GLU- 50 33.333% * 0.5094% (0.27 0.02 0.02) = 0.509% Peak 731 (8.33, 8.34, 118.74 ppm): 1 diagonal assignment: * HN GLU- 50 - HN GLU- 50 (0.83) kept Peak 732 (4.07, 8.34, 118.74 ppm): 6 chemical-shift based assignments, quality = 0.798, support = 3.13, residual support = 17.6: HB2 SER 49 - HN GLU- 50 16.667% * 66.5365% (0.97 3.16 17.80) = 66.537% kept * HB3 SER 49 - HN GLU- 50 16.667% * 32.4553% (0.47 3.16 17.80) = 32.455% kept HA VAL 125 - HN GLU- 50 16.667% * 0.4067% (0.94 0.02 0.02) = 0.407% HB THR 38 - HN GLU- 50 16.667% * 0.3591% (0.83 0.02 0.02) = 0.359% HB3 SER 85 - HN GLU- 50 16.667% * 0.1467% (0.34 0.02 0.02) = 0.147% HA THR 24 - HN GLU- 50 16.667% * 0.0957% (0.22 0.02 0.02) = 0.096% Peak 733 (1.52, 8.24, 118.79 ppm): 9 chemical-shift based assignments, quality = 0.606, support = 0.611, residual support = 0.227: HG3 LYS+ 72 - HN LYS+ 81 11.111% * 42.6235% (0.77 0.78 0.23) = 42.623% kept HG3 LYS+ 72 - HN THR 106 11.111% * 19.7877% (0.49 0.57 0.24) = 19.788% kept HB2 LYS+ 72 - HN THR 106 11.111% * 17.8565% (0.43 0.58 0.24) = 17.857% kept HB2 LYS+ 72 - HN LYS+ 81 11.111% * 15.4174% (0.68 0.32 0.23) = 15.417% kept HG3 LYS+ 72 - HN GLU- 45 11.111% * 1.5704% (0.05 0.43 0.02) = 1.570% kept HB2 LYS+ 72 - HN GLU- 45 11.111% * 1.3571% (0.04 0.43 0.02) = 1.357% kept HD3 LYS+ 108 - HN LYS+ 81 11.111% * 0.8140% (0.57 0.02 0.02) = 0.814% HD3 LYS+ 108 - HN THR 106 11.111% * 0.5194% (0.36 0.02 0.02) = 0.519% HD3 LYS+ 108 - HN GLU- 45 11.111% * 0.0540% (0.04 0.02 0.59) = 0.054% Peak 734 (4.50, 8.23, 118.79 ppm): 27 chemical-shift based assignments, quality = 0.594, support = 1.79, residual support = 1.93: * HB THR 79 - HN LYS+ 81 3.704% * 55.1596% (0.79 2.28 1.01) = 55.160% kept HB THR 46 - HN LYS+ 81 3.704% * 18.9327% (0.32 1.92 3.54) = 18.933% kept HA LYS+ 32 - HN LYS+ 81 3.704% * 7.7361% (0.49 0.52 0.02) = 7.736% kept HA LYS+ 55 - HN LYS+ 81 3.704% * 6.1054% (0.59 0.34 0.02) = 6.105% kept HB THR 79 - HN THR 106 3.704% * 4.6953% (0.40 0.38 0.02) = 4.695% kept HB THR 46 - HN GLU- 45 3.704% * 2.8737% (0.03 2.89 24.18) = 2.874% kept HB THR 46 - HN THR 106 3.704% * 1.6953% (0.16 0.34 0.02) = 1.695% kept HA SER 77 - HN LYS+ 81 3.704% * 0.5146% (0.84 0.02 0.02) = 0.515% HA CYS 123 - HN LYS+ 81 3.704% * 0.5146% (0.84 0.02 0.02) = 0.515% HA CYS 123 - HN THR 106 3.704% * 0.2622% (0.43 0.02 0.02) = 0.262% HA SER 77 - HN THR 106 3.704% * 0.2622% (0.43 0.02 0.02) = 0.262% HA MET 126 - HN LYS+ 81 3.704% * 0.1971% (0.32 0.02 0.02) = 0.197% HA LYS+ 55 - HN THR 106 3.704% * 0.1838% (0.30 0.02 0.02) = 0.184% HA LYS+ 32 - HN THR 106 3.704% * 0.1515% (0.25 0.02 0.02) = 0.151% HA GLN 102 - HN LYS+ 81 3.704% * 0.1169% (0.19 0.02 0.02) = 0.117% HA ILE 100 - HN LYS+ 81 3.704% * 0.1169% (0.19 0.02 0.02) = 0.117% HA MET 126 - HN THR 106 3.704% * 0.1004% (0.16 0.02 0.02) = 0.100% HA GLN 102 - HN THR 106 3.704% * 0.0596% (0.10 0.02 0.02) = 0.060% HA ILE 100 - HN THR 106 3.704% * 0.0596% (0.10 0.02 0.02) = 0.060% HA CYS 123 - HN GLU- 45 3.704% * 0.0519% (0.08 0.02 0.02) = 0.052% HA SER 77 - HN GLU- 45 3.704% * 0.0519% (0.08 0.02 0.02) = 0.052% HB THR 79 - HN GLU- 45 3.704% * 0.0489% (0.08 0.02 0.02) = 0.049% HA LYS+ 55 - HN GLU- 45 3.704% * 0.0364% (0.06 0.02 0.02) = 0.036% HA LYS+ 32 - HN GLU- 45 3.704% * 0.0300% (0.05 0.02 0.02) = 0.030% HA MET 126 - HN GLU- 45 3.704% * 0.0199% (0.03 0.02 0.02) = 0.020% HA GLN 102 - HN GLU- 45 3.704% * 0.0118% (0.02 0.02 0.02) = 0.012% HA ILE 100 - HN GLU- 45 3.704% * 0.0118% (0.02 0.02 0.02) = 0.012% Peak 735 (2.25, 8.24, 118.79 ppm): 48 chemical-shift based assignments, quality = 0.417, support = 2.78, residual support = 15.8: * HB VAL 80 - HN LYS+ 81 2.083% * 27.5569% (0.36 1.0 4.48 9.98) = 27.557% kept HG3 GLU- 107 - HN THR 106 2.083% * 17.3683% (0.47 1.0 2.18 6.73) = 17.368% kept O HB3 GLU- 45 - HN GLU- 45 2.083% * 15.8919% (0.05 10.0 5.89 73.84) = 15.892% kept HB3 GLU- 45 - HN LYS+ 81 2.083% * 12.0476% (0.71 1.0 1.01 0.23) = 12.048% kept HB3 ASN 15 - HN LYS+ 81 2.083% * 7.2008% (0.87 1.0 0.49 0.82) = 7.201% kept HB3 ASN 15 - HN THR 106 2.083% * 5.3084% (0.55 1.0 0.57 1.30) = 5.308% kept HG3 GLN 16 - HN LYS+ 81 2.083% * 3.1771% (0.77 1.0 0.24 0.02) = 3.177% kept HB3 GLU- 45 - HN THR 106 2.083% * 2.8119% (0.45 1.0 0.37 0.02) = 2.812% kept HB VAL 80 - HN THR 106 2.083% * 2.8058% (0.23 1.0 0.71 0.30) = 2.806% kept HG3 GLN 16 - HN THR 106 2.083% * 1.4855% (0.49 1.0 0.18 0.23) = 1.486% kept HG2 PRO 112 - HN GLU- 45 2.083% * 0.9537% (0.06 1.0 0.97 0.28) = 0.954% HG3 GLU- 109 - HN LYS+ 81 2.083% * 0.5921% (0.33 1.0 0.11 0.02) = 0.592% HG2 PRO 112 - HN LYS+ 81 2.083% * 0.2966% (0.88 1.0 0.02 0.02) = 0.297% HG3 GLU- 10 - HN LYS+ 81 2.083% * 0.2685% (0.79 1.0 0.02 0.02) = 0.268% HG3 GLU- 107 - HN LYS+ 81 2.083% * 0.2500% (0.74 1.0 0.02 0.02) = 0.250% HG3 GLU- 54 - HN LYS+ 81 2.083% * 0.2288% (0.68 1.0 0.02 0.02) = 0.229% HG2 PRO 112 - HN THR 106 2.083% * 0.1893% (0.56 1.0 0.02 0.02) = 0.189% HG3 GLU- 10 - HN THR 106 2.083% * 0.1713% (0.51 1.0 0.02 0.02) = 0.171% HG3 GLU- 54 - HN THR 106 2.083% * 0.1460% (0.43 1.0 0.02 0.02) = 0.146% HB2 PRO 52 - HN LYS+ 81 2.083% * 0.1123% (0.33 1.0 0.02 0.02) = 0.112% HB3 LYS+ 117 - HN LYS+ 81 2.083% * 0.1021% (0.30 1.0 0.02 0.02) = 0.102% HG3 GLU- 75 - HN LYS+ 81 2.083% * 0.1021% (0.30 1.0 0.02 0.02) = 0.102% HG3 GLN 102 - HN LYS+ 81 2.083% * 0.0832% (0.25 1.0 0.02 0.02) = 0.083% HG3 GLN 16 - HN GLU- 45 2.083% * 0.0788% (0.05 1.0 0.09 0.02) = 0.079% HB3 PRO 112 - HN LYS+ 81 2.083% * 0.0733% (0.22 1.0 0.02 0.02) = 0.073% HG3 GLU- 109 - HN THR 106 2.083% * 0.0717% (0.21 1.0 0.02 0.02) = 0.072% HB2 PRO 52 - HN THR 106 2.083% * 0.0717% (0.21 1.0 0.02 0.02) = 0.072% HG3 GLU- 75 - HN THR 106 2.083% * 0.0652% (0.19 1.0 0.02 0.02) = 0.065% HB3 LYS+ 117 - HN THR 106 2.083% * 0.0652% (0.19 1.0 0.02 0.02) = 0.065% HG3 GLU- 18 - HN LYS+ 81 2.083% * 0.0592% (0.17 1.0 0.02 0.02) = 0.059% HG3 GLN 102 - HN THR 106 2.083% * 0.0531% (0.16 1.0 0.02 0.02) = 0.053% HB3 PRO 112 - HN THR 106 2.083% * 0.0468% (0.14 1.0 0.02 0.02) = 0.047% HB2 GLU- 50 - HN LYS+ 81 2.083% * 0.0462% (0.14 1.0 0.02 0.02) = 0.046% HG3 GLU- 18 - HN THR 106 2.083% * 0.0378% (0.11 1.0 0.02 0.02) = 0.038% HB3 LYS+ 117 - HN GLU- 45 2.083% * 0.0352% (0.02 1.0 0.10 0.02) = 0.035% HB2 GLU- 50 - HN THR 106 2.083% * 0.0295% (0.09 1.0 0.02 0.02) = 0.029% HB3 ASN 15 - HN GLU- 45 2.083% * 0.0195% (0.06 1.0 0.02 0.02) = 0.019% HG3 GLU- 10 - HN GLU- 45 2.083% * 0.0178% (0.05 1.0 0.02 0.85) = 0.018% HG3 GLU- 107 - HN GLU- 45 2.083% * 0.0166% (0.05 1.0 0.02 0.02) = 0.017% HG3 GLU- 54 - HN GLU- 45 2.083% * 0.0152% (0.04 1.0 0.02 0.02) = 0.015% HB VAL 80 - HN GLU- 45 2.083% * 0.0082% (0.02 1.0 0.02 0.02) = 0.008% HB2 PRO 52 - HN GLU- 45 2.083% * 0.0074% (0.02 1.0 0.02 0.02) = 0.007% HG3 GLU- 109 - HN GLU- 45 2.083% * 0.0074% (0.02 1.0 0.02 0.02) = 0.007% HG3 GLU- 75 - HN GLU- 45 2.083% * 0.0068% (0.02 1.0 0.02 0.11) = 0.007% HG3 GLN 102 - HN GLU- 45 2.083% * 0.0055% (0.02 1.0 0.02 0.02) = 0.006% HB3 PRO 112 - HN GLU- 45 2.083% * 0.0049% (0.01 1.0 0.02 0.28) = 0.005% HG3 GLU- 18 - HN GLU- 45 2.083% * 0.0039% (0.01 1.0 0.02 0.02) = 0.004% HB2 GLU- 50 - HN GLU- 45 2.083% * 0.0031% (0.01 1.0 0.02 0.02) = 0.003% Peak 737 (2.48, 8.24, 118.79 ppm): 15 chemical-shift based assignments, quality = 0.378, support = 1.44, residual support = 16.0: HG3 MET 118 - HN LYS+ 81 6.667% * 27.6580% (0.64 0.33 0.02) = 27.658% kept HG3 GLU- 45 - HN LYS+ 81 6.667% * 23.1861% (0.46 0.39 0.23) = 23.186% kept HG3 GLU- 45 - HN GLU- 45 6.667% * 21.5432% (0.03 5.41 73.84) = 21.543% kept HG3 GLU- 45 - HN THR 106 6.667% * 15.5651% (0.30 0.41 0.02) = 15.565% kept HG2 PRO 112 - HN GLU- 45 6.667% * 3.1861% (0.03 0.97 0.28) = 3.186% kept HB VAL 40 - HN LYS+ 81 6.667% * 1.9056% (0.74 0.02 0.02) = 1.906% kept HG3 PRO 35 - HN LYS+ 81 6.667% * 1.6566% (0.64 0.02 0.02) = 1.657% kept HB VAL 40 - HN THR 106 6.667% * 1.2159% (0.47 0.02 0.02) = 1.216% kept HG3 PRO 35 - HN THR 106 6.667% * 1.0571% (0.41 0.02 0.02) = 1.057% kept HG3 MET 118 - HN THR 106 6.667% * 1.0571% (0.41 0.02 0.02) = 1.057% kept HG2 PRO 112 - HN LYS+ 81 6.667% * 0.9909% (0.38 0.02 0.02) = 0.991% HG2 PRO 112 - HN THR 106 6.667% * 0.6323% (0.24 0.02 0.02) = 0.632% HB VAL 40 - HN GLU- 45 6.667% * 0.1263% (0.05 0.02 0.02) = 0.126% HG3 PRO 35 - HN GLU- 45 6.667% * 0.1098% (0.04 0.02 0.02) = 0.110% HG3 MET 118 - HN GLU- 45 6.667% * 0.1098% (0.04 0.02 0.02) = 0.110% Peak 739 (0.94, 8.25, 118.79 ppm): 20 chemical-shift based assignments, quality = 0.589, support = 2.05, residual support = 3.46: QG1 VAL 105 - HN THR 106 5.000% * 21.5164% (0.72 2.62 4.01) = 21.516% kept * QG2 VAL 105 - HN THR 106 5.000% * 19.4753% (0.71 2.39 4.01) = 19.475% kept QG2 VAL 80 - HN LYS+ 81 5.000% * 16.2099% (0.42 3.42 9.98) = 16.210% kept QG2 VAL 73 - HN LYS+ 81 5.000% * 10.3579% (0.47 1.95 1.30) = 10.358% kept QG1 VAL 105 - HN LYS+ 81 5.000% * 6.6047% (0.64 0.90 0.31) = 6.605% kept QG2 VAL 105 - HN LYS+ 81 5.000% * 6.4630% (0.64 0.89 0.31) = 6.463% kept QG2 VAL 62 - HN LYS+ 81 5.000% * 5.3764% (0.54 0.88 0.12) = 5.376% kept QG2 VAL 80 - HN THR 106 5.000% * 5.0431% (0.47 0.95 0.30) = 5.043% kept HG12 ILE 68 - HN THR 106 5.000% * 3.9581% (0.60 0.58 0.02) = 3.958% kept QG2 VAL 73 - HN THR 106 5.000% * 3.8782% (0.52 0.65 0.11) = 3.878% kept QD1 LEU 17 - HN THR 106 5.000% * 0.1639% (0.72 0.02 0.02) = 0.164% QD1 LEU 17 - HN LYS+ 81 5.000% * 0.1463% (0.64 0.02 0.02) = 0.146% QG2 VAL 62 - HN THR 106 5.000% * 0.1372% (0.60 0.02 0.02) = 0.137% HG3 LYS+ 110 - HN THR 106 5.000% * 0.1255% (0.55 0.02 0.02) = 0.126% HG12 ILE 68 - HN LYS+ 81 5.000% * 0.1225% (0.54 0.02 0.02) = 0.122% QG2 ILE 29 - HN THR 106 5.000% * 0.1128% (0.49 0.02 0.02) = 0.113% HG3 LYS+ 110 - HN LYS+ 81 5.000% * 0.1121% (0.49 0.02 0.02) = 0.112% QG2 ILE 29 - HN LYS+ 81 5.000% * 0.1007% (0.44 0.02 0.02) = 0.101% QG2 VAL 99 - HN THR 106 5.000% * 0.0507% (0.22 0.02 0.02) = 0.051% QG2 VAL 99 - HN LYS+ 81 5.000% * 0.0453% (0.20 0.02 0.36) = 0.045% Peak 741 (7.56, 7.57, 118.56 ppm): 1 diagonal assignment: * HN VAL 65 - HN VAL 65 (0.94) kept Peak 742 (0.70, 7.57, 118.56 ppm): 12 chemical-shift based assignments, quality = 0.869, support = 3.89, residual support = 23.1: QG1 VAL 65 - HN VAL 65 8.333% * 64.8968% (0.98 4.89 29.62) = 64.897% kept * QG2 VAL 65 - HN VAL 65 8.333% * 10.9696% (0.15 5.25 29.62) = 10.970% kept QG2 ILE 101 - HN VAL 65 8.333% * 9.2812% (1.00 0.69 5.60) = 9.281% kept QG2 ILE 48 - HN VAL 65 8.333% * 7.7825% (0.93 0.62 1.27) = 7.783% kept QG2 THR 96 - HN VAL 65 8.333% * 5.0567% (0.99 0.38 0.02) = 5.057% kept QD1 ILE 68 - HN VAL 65 8.333% * 1.2079% (0.20 0.45 1.17) = 1.208% kept HG LEU 74 - HN VAL 65 8.333% * 0.1642% (0.61 0.02 0.02) = 0.164% QD1 ILE 19 - HN VAL 65 8.333% * 0.1642% (0.61 0.02 0.02) = 0.164% QG2 VAL 94 - HN VAL 65 8.333% * 0.1424% (0.53 0.02 0.02) = 0.142% QG2 ILE 68 - HN VAL 65 8.333% * 0.1424% (0.53 0.02 1.17) = 0.142% HG12 ILE 19 - HN VAL 65 8.333% * 0.1318% (0.49 0.02 0.02) = 0.132% QG1 VAL 40 - HN VAL 65 8.333% * 0.0603% (0.22 0.02 0.02) = 0.060% Peak 743 (2.00, 7.57, 118.56 ppm): 17 chemical-shift based assignments, quality = 0.342, support = 3.2, residual support = 17.3: HB3 GLU- 64 - HN VAL 65 5.882% * 65.2129% (0.22 4.77 26.48) = 65.213% kept HG3 PRO 112 - HN VAL 65 5.882% * 15.9757% (0.76 0.34 0.02) = 15.976% kept HG2 PRO 112 - HN VAL 65 5.882% * 10.2659% (0.53 0.31 0.02) = 10.266% kept HB3 GLU- 75 - HN VAL 65 5.882% * 1.1502% (0.24 0.08 0.02) = 1.150% kept HB2 HIS+ 14 - HN VAL 65 5.882% * 1.0248% (0.83 0.02 0.02) = 1.025% kept HB3 MET 118 - HN VAL 65 5.882% * 1.0248% (0.83 0.02 0.02) = 1.025% kept HB2 GLU- 18 - HN VAL 65 5.882% * 0.8910% (0.73 0.02 0.02) = 0.891% HB2 LYS+ 108 - HN VAL 65 5.882% * 0.8910% (0.73 0.02 0.02) = 0.891% HB2 PRO 86 - HN VAL 65 5.882% * 0.6455% (0.53 0.02 0.02) = 0.646% HG2 PRO 116 - HN VAL 65 5.882% * 0.5972% (0.49 0.02 0.02) = 0.597% HB3 GLU- 107 - HN VAL 65 5.882% * 0.5501% (0.45 0.02 0.02) = 0.550% HB3 GLU- 56 - HN VAL 65 5.882% * 0.4185% (0.34 0.02 0.02) = 0.419% HB3 PRO 31 - HN VAL 65 5.882% * 0.3411% (0.28 0.02 0.02) = 0.341% HG3 PRO 104 - HN VAL 65 5.882% * 0.3059% (0.25 0.02 0.02) = 0.306% HB3 GLU- 10 - HN VAL 65 5.882% * 0.2732% (0.22 0.02 0.02) = 0.273% HB VAL 73 - HN VAL 65 5.882% * 0.2428% (0.20 0.02 0.02) = 0.243% HB3 GLU- 54 - HN VAL 65 5.882% * 0.1893% (0.15 0.02 0.02) = 0.189% Peak 744 (7.39, 7.57, 118.56 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 4.84, residual support = 26.5: * T HN GLU- 64 - HN VAL 65 50.000% * 99.9786% (0.92 10.00 4.84 26.48) = 99.979% kept HE22 GLN 102 - HN VAL 65 50.000% * 0.0214% (0.20 1.00 0.02 0.64) = 0.021% Peak 745 (4.19, 7.57, 118.56 ppm): 5 chemical-shift based assignments, quality = 0.688, support = 4.52, residual support = 28.6: * O HA VAL 65 - HN VAL 65 20.000% * 96.6124% (0.69 10.0 4.66 29.62) = 96.612% kept HB3 SER 49 - HN VAL 65 20.000% * 3.1611% (0.79 1.0 0.57 0.10) = 3.161% kept HA ASP- 82 - HN VAL 65 20.000% * 0.1021% (0.73 1.0 0.02 0.02) = 0.102% HA VAL 73 - HN VAL 65 20.000% * 0.0853% (0.61 1.0 0.02 0.02) = 0.085% HA GLU- 12 - HN VAL 65 20.000% * 0.0391% (0.28 1.0 0.02 0.02) = 0.039% Peak 746 (4.24, 7.57, 118.56 ppm): 16 chemical-shift based assignments, quality = 0.333, support = 4.3, residual support = 25.0: * O HA GLU- 64 - HN VAL 65 6.250% * 94.2108% (0.34 10.0 4.55 26.48) = 94.211% kept HB3 SER 49 - HN VAL 65 6.250% * 3.0308% (0.39 1.0 0.57 0.10) = 3.031% kept HA GLU- 54 - HN VAL 65 6.250% * 0.2707% (0.98 1.0 0.02 0.02) = 0.271% HA GLU- 10 - HN VAL 65 6.250% * 0.2707% (0.98 1.0 0.02 0.02) = 0.271% HA LYS+ 108 - HN VAL 65 6.250% * 0.2707% (0.98 1.0 0.02 0.02) = 0.271% HA PRO 59 - HN VAL 65 6.250% * 0.2665% (0.96 1.0 0.02 0.02) = 0.267% HA ALA 42 - HN VAL 65 6.250% * 0.2396% (0.87 1.0 0.02 0.02) = 0.240% HA SER 49 - HN VAL 65 6.250% * 0.2212% (0.80 1.0 0.02 0.10) = 0.221% HA ALA 11 - HN VAL 65 6.250% * 0.2212% (0.80 1.0 0.02 0.02) = 0.221% HA ASN 76 - HN VAL 65 6.250% * 0.2006% (0.73 1.0 0.02 0.02) = 0.201% HA GLU- 107 - HN VAL 65 6.250% * 0.1897% (0.69 1.0 0.02 0.02) = 0.190% HA ASN 119 - HN VAL 65 6.250% * 0.1897% (0.69 1.0 0.02 0.02) = 0.190% HA GLU- 109 - HN VAL 65 6.250% * 0.1675% (0.61 1.0 0.02 0.02) = 0.168% HA GLU- 75 - HN VAL 65 6.250% * 0.1037% (0.37 1.0 0.02 0.02) = 0.104% HA GLU- 12 - HN VAL 65 6.250% * 0.0852% (0.31 1.0 0.02 0.02) = 0.085% HA GLU- 56 - HN VAL 65 6.250% * 0.0615% (0.22 1.0 0.02 0.02) = 0.061% Peak 747 (2.10, 7.57, 118.56 ppm): 15 chemical-shift based assignments, quality = 0.987, support = 3.73, residual support = 28.9: * O HB VAL 65 - HN VAL 65 6.667% * 97.7283% (1.00 10.0 3.81 29.62) = 97.728% kept HG2 PRO 112 - HN VAL 65 6.667% * 1.2696% (0.83 1.0 0.31 0.02) = 1.270% kept HB3 GLU- 75 - HN VAL 65 6.667% * 0.3792% (1.00 1.0 0.08 0.02) = 0.379% HB2 MET 118 - HN VAL 65 6.667% * 0.0924% (0.94 1.0 0.02 0.02) = 0.092% HB VAL 125 - HN VAL 65 6.667% * 0.0816% (0.83 1.0 0.02 0.02) = 0.082% HB2 LYS+ 110 - HN VAL 65 6.667% * 0.0747% (0.76 1.0 0.02 0.02) = 0.075% HB3 LEU 43 - HN VAL 65 6.667% * 0.0747% (0.76 1.0 0.02 0.02) = 0.075% HD3 LYS+ 110 - HN VAL 65 6.667% * 0.0671% (0.69 1.0 0.02 0.02) = 0.067% HB VAL 87 - HN VAL 65 6.667% * 0.0514% (0.53 1.0 0.02 0.02) = 0.051% HB2 GLU- 56 - HN VAL 65 6.667% * 0.0476% (0.49 1.0 0.02 0.02) = 0.048% HG2 GLN 16 - HN VAL 65 6.667% * 0.0438% (0.45 1.0 0.02 0.02) = 0.044% HB3 LYS+ 120 - HN VAL 65 6.667% * 0.0302% (0.31 1.0 0.02 0.02) = 0.030% HB VAL 105 - HN VAL 65 6.667% * 0.0272% (0.28 1.0 0.02 0.02) = 0.027% HB ILE 101 - HN VAL 65 6.667% * 0.0171% (0.17 1.0 0.02 5.60) = 0.017% HG2 GLU- 45 - HN VAL 65 6.667% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% Peak 748 (2.31, 7.57, 118.56 ppm): 6 chemical-shift based assignments, quality = 0.911, support = 3.98, residual support = 24.5: * HG2 GLU- 64 - HN VAL 65 16.667% * 92.3281% (0.92 4.29 26.48) = 92.328% kept HG2 PRO 112 - HN VAL 65 16.667% * 6.6262% (0.91 0.31 0.02) = 6.626% kept HB3 PRO 116 - HN VAL 65 16.667% * 0.4043% (0.87 0.02 0.02) = 0.404% HB3 PRO 86 - HN VAL 65 16.667% * 0.3202% (0.69 0.02 0.02) = 0.320% HB2 TYR 83 - HN VAL 65 16.667% * 0.1916% (0.41 0.02 0.02) = 0.192% HB2 LYS+ 44 - HN VAL 65 16.667% * 0.1296% (0.28 0.02 0.02) = 0.130% Peak 749 (2.44, 8.21, 118.40 ppm): 2 chemical-shift based assignments, quality = 0.406, support = 4.5, residual support = 58.6: * HG3 GLU- 45 - HN GLU- 45 50.000% * 79.3329% (0.37 5.41 73.84) = 79.333% kept HG2 PRO 112 - HN GLU- 45 50.000% * 20.6671% (0.54 0.97 0.28) = 20.667% kept Peak 750 (0.94, 8.21, 118.40 ppm): 10 chemical-shift based assignments, quality = 0.826, support = 0.973, residual support = 0.5: QG2 VAL 105 - HN GLU- 45 10.000% * 20.4657% (0.97 1.19 0.32) = 20.466% kept QG1 VAL 105 - HN GLU- 45 10.000% * 20.3028% (0.99 1.16 0.32) = 20.303% kept QG2 VAL 73 - HN GLU- 45 10.000% * 15.9736% (0.76 1.19 1.63) = 15.974% kept * QG2 VAL 62 - HN GLU- 45 10.000% * 10.7035% (0.86 0.70 0.50) = 10.703% kept QG2 ILE 29 - HN GLU- 45 10.000% * 9.3564% (0.72 0.73 0.15) = 9.356% kept HG12 ILE 68 - HN GLU- 45 10.000% * 9.1818% (0.79 0.65 0.02) = 9.182% kept HG3 LYS+ 110 - HN GLU- 45 10.000% * 7.8864% (0.72 0.62 0.11) = 7.886% kept QG2 VAL 99 - HN GLU- 45 10.000% * 5.5687% (0.34 0.93 0.58) = 5.569% kept QD1 LEU 17 - HN GLU- 45 10.000% * 0.3481% (0.98 0.02 0.02) = 0.348% QG2 VAL 80 - HN GLU- 45 10.000% * 0.2130% (0.60 0.02 0.02) = 0.213% Peak 751 (2.26, 8.21, 118.40 ppm): 14 chemical-shift based assignments, quality = 0.491, support = 5.31, residual support = 62.7: O HB3 GLU- 45 - HN GLU- 45 7.143% * 83.3995% (0.48 10.0 5.89 73.84) = 83.400% kept HG2 PRO 112 - HN GLU- 45 7.143% * 8.1816% (0.97 1.0 0.97 0.28) = 8.182% kept * HB2 LYS+ 44 - HN GLU- 45 7.143% * 6.4497% (0.15 1.0 4.88 16.90) = 6.450% kept HB3 LYS+ 117 - HN GLU- 45 7.143% * 0.5757% (0.64 1.0 0.10 0.02) = 0.576% HG3 GLN 16 - HN GLU- 45 7.143% * 0.4443% (0.56 1.0 0.09 0.02) = 0.444% HG3 GLU- 107 - HN GLU- 45 7.143% * 0.1710% (0.99 1.0 0.02 0.02) = 0.171% HG3 GLU- 54 - HN GLU- 45 7.143% * 0.1679% (0.97 1.0 0.02 0.02) = 0.168% HB3 ASN 15 - HN GLU- 45 7.143% * 0.1309% (0.76 1.0 0.02 0.02) = 0.131% HB VAL 80 - HN GLU- 45 7.143% * 0.1244% (0.72 1.0 0.02 0.02) = 0.124% HG3 GLU- 75 - HN GLU- 45 7.143% * 0.1108% (0.64 1.0 0.02 0.11) = 0.111% HG3 GLU- 10 - HN GLU- 45 7.143% * 0.1039% (0.60 1.0 0.02 0.85) = 0.104% HB3 PRO 112 - HN GLU- 45 7.143% * 0.0873% (0.50 1.0 0.02 0.28) = 0.087% HB2 PRO 52 - HN GLU- 45 7.143% * 0.0264% (0.15 1.0 0.02 0.02) = 0.026% HG3 GLU- 109 - HN GLU- 45 7.143% * 0.0264% (0.15 1.0 0.02 0.02) = 0.026% Peak 752 (1.49, 8.21, 118.40 ppm): 7 chemical-shift based assignments, quality = 0.734, support = 3.75, residual support = 14.2: * HB3 LYS+ 44 - HN GLU- 45 14.286% * 84.0260% (0.76 4.39 16.90) = 84.026% kept HB2 LYS+ 72 - HN GLU- 45 14.286% * 7.3210% (0.68 0.43 0.02) = 7.321% kept HG3 LYS+ 72 - HN GLU- 45 14.286% * 6.1518% (0.56 0.43 0.02) = 6.152% kept QB ALA 70 - HN GLU- 45 14.286% * 1.8763% (0.79 0.09 0.02) = 1.876% kept HD3 LYS+ 108 - HN GLU- 45 14.286% * 0.4010% (0.79 0.02 0.59) = 0.401% HB3 LEU 67 - HN GLU- 45 14.286% * 0.1249% (0.25 0.02 0.02) = 0.125% HG3 PRO 52 - HN GLU- 45 14.286% * 0.0991% (0.20 0.02 0.02) = 0.099% Peak 753 (7.77, 8.21, 118.40 ppm): 5 chemical-shift based assignments, quality = 0.469, support = 4.36, residual support = 21.4: * T HN THR 46 - HN GLU- 45 20.000% * 87.7538% (0.47 10.00 4.66 24.18) = 87.754% kept HN VAL 87 - HN GLU- 45 20.000% * 10.3496% (0.43 1.00 2.56 1.57) = 10.350% kept HN VAL 125 - HN GLU- 45 20.000% * 1.6419% (0.63 1.00 0.28 0.02) = 1.642% kept HN SER 124 - HN GLU- 45 20.000% * 0.1309% (0.70 1.00 0.02 0.02) = 0.131% HN ALA 37 - HN GLU- 45 20.000% * 0.1238% (0.67 1.00 0.02 0.02) = 0.124% Peak 754 (7.91, 8.21, 118.40 ppm): 2 chemical-shift based assignments, quality = 0.363, support = 4.4, residual support = 16.9: * T HN LYS+ 44 - HN GLU- 45 50.000% * 99.9407% (0.36 10.00 4.40 16.90) = 99.941% kept HN LEU 90 - HN GLU- 45 50.000% * 0.0593% (0.22 1.00 0.02 0.02) = 0.059% Peak 755 (2.02, 8.21, 118.40 ppm): 16 chemical-shift based assignments, quality = 0.408, support = 3.49, residual support = 40.6: * O HB2 GLU- 45 - HN GLU- 45 6.250% * 54.8904% (0.20 10.0 5.66 73.84) = 54.890% kept HB3 GLU- 75 - HN GLU- 45 6.250% * 10.4079% (0.44 1.0 1.68 0.11) = 10.408% kept HB3 PRO 31 - HN GLU- 45 6.250% * 9.3068% (0.99 1.0 0.67 0.02) = 9.307% kept HG2 PRO 112 - HN GLU- 45 6.250% * 8.1584% (0.60 1.0 0.97 0.28) = 8.158% kept HG2 PRO 116 - HN GLU- 45 6.250% * 4.2052% (0.91 1.0 0.33 0.02) = 4.205% kept HB3 LYS+ 110 - HN GLU- 45 6.250% * 3.7289% (0.64 1.0 0.42 0.11) = 3.729% kept HG3 PRO 86 - HN GLU- 45 6.250% * 3.4690% (0.27 1.0 0.90 0.02) = 3.469% kept HB3 GLU- 64 - HN GLU- 45 6.250% * 3.0493% (0.98 1.0 0.22 0.02) = 3.049% kept HB3 GLU- 107 - HN GLU- 45 6.250% * 1.2623% (0.93 1.0 0.10 0.02) = 1.262% kept HB3 GLU- 10 - HN GLU- 45 6.250% * 0.2749% (0.98 1.0 0.02 0.85) = 0.275% HB3 GLU- 54 - HN GLU- 45 6.250% * 0.2624% (0.93 1.0 0.02 0.02) = 0.262% HG3 GLU- 64 - HN GLU- 45 6.250% * 0.2560% (0.91 1.0 0.02 0.02) = 0.256% HB2 GLU- 18 - HN GLU- 45 6.250% * 0.2014% (0.72 1.0 0.02 0.02) = 0.201% HG3 PRO 112 - HN GLU- 45 6.250% * 0.1905% (0.68 1.0 0.02 0.28) = 0.191% HB3 MET 118 - HN GLU- 45 6.250% * 0.1682% (0.60 1.0 0.02 0.02) = 0.168% HB2 HIS+ 14 - HN GLU- 45 6.250% * 0.1682% (0.60 1.0 0.02 0.02) = 0.168% Peak 758 (8.21, 8.21, 118.42 ppm): 1 diagonal assignment: * HN GLU- 45 - HN GLU- 45 (0.95) kept Peak 763 (4.23, 8.21, 118.42 ppm): 15 chemical-shift based assignments, quality = 0.881, support = 1.14, residual support = 2.66: HA SER 49 - HN GLU- 45 6.667% * 22.8679% (0.99 1.24 4.72) = 22.868% kept * HA ALA 42 - HN GLU- 45 6.667% * 21.8307% (0.99 1.18 3.50) = 21.831% kept HA LYS+ 108 - HN GLU- 45 6.667% * 21.3926% (0.92 1.25 0.59) = 21.393% kept HA GLU- 10 - HN GLU- 45 6.667% * 17.4935% (0.92 1.02 0.85) = 17.494% kept HB3 SER 49 - HN GLU- 45 6.667% * 11.3208% (0.46 1.33 4.72) = 11.321% kept HA GLU- 109 - HN GLU- 45 6.667% * 3.0890% (0.92 0.18 0.02) = 3.089% kept HA GLU- 107 - HN GLU- 45 6.667% * 0.6071% (0.34 0.10 0.02) = 0.607% HA GLU- 54 - HN GLU- 45 6.667% * 0.3415% (0.92 0.02 0.02) = 0.342% HA PRO 59 - HN GLU- 45 6.667% * 0.2541% (0.68 0.02 0.02) = 0.254% HA GLU- 12 - HN GLU- 45 6.667% * 0.2393% (0.64 0.02 0.02) = 0.239% HA ALA 11 - HN GLU- 45 6.667% * 0.1659% (0.45 0.02 0.88) = 0.166% HA ASN 76 - HN GLU- 45 6.667% * 0.1389% (0.37 0.02 0.02) = 0.139% HA ASN 119 - HN GLU- 45 6.667% * 0.1262% (0.34 0.02 0.02) = 0.126% HA ASP- 82 - HN GLU- 45 6.667% * 0.0824% (0.22 0.02 0.02) = 0.082% HA GLU- 75 - HN GLU- 45 6.667% * 0.0501% (0.13 0.02 0.11) = 0.050% Peak 766 (4.14, 8.11, 118.45 ppm): 8 chemical-shift based assignments, quality = 0.858, support = 2.48, residual support = 12.4: O HB2 SER 88 - HN SER 88 12.500% * 55.4031% (0.94 10.0 2.01 12.96) = 55.403% kept * O HA VAL 87 - HN SER 88 12.500% * 44.3633% (0.76 10.0 3.09 11.74) = 44.363% kept HB3 SER 49 - HN SER 88 12.500% * 0.0553% (0.94 1.0 0.02 0.02) = 0.055% HA2 GLY 71 - HN SER 88 12.500% * 0.0511% (0.87 1.0 0.02 0.02) = 0.051% HA LYS+ 110 - HN SER 88 12.500% * 0.0481% (0.82 1.0 0.02 0.02) = 0.048% HA ARG+ 53 - HN SER 88 12.500% * 0.0336% (0.57 1.0 0.02 0.02) = 0.034% HB THR 106 - HN SER 88 12.500% * 0.0228% (0.39 1.0 0.02 0.02) = 0.023% HA VAL 105 - HN SER 88 12.500% * 0.0228% (0.39 1.0 0.02 0.02) = 0.023% Peak 767 (3.88, 8.11, 118.45 ppm): 10 chemical-shift based assignments, quality = 0.454, support = 3.01, residual support = 10.9: * O HB3 SER 88 - HN SER 88 10.000% * 84.3751% (0.39 10.0 3.36 12.96) = 84.375% kept HD2 PRO 86 - HN SER 88 10.000% * 12.9415% (0.92 1.0 1.29 0.02) = 12.941% kept HB2 SER 85 - HN SER 88 10.000% * 1.7322% (0.42 1.0 0.38 0.02) = 1.732% kept HD2 PRO 116 - HN SER 88 10.000% * 0.2048% (0.94 1.0 0.02 0.02) = 0.205% HD3 PRO 35 - HN SER 88 10.000% * 0.2048% (0.94 1.0 0.02 0.02) = 0.205% HA GLU- 45 - HN SER 88 10.000% * 0.1568% (0.72 1.0 0.02 0.21) = 0.157% HB3 SER 27 - HN SER 88 10.000% * 0.1490% (0.68 1.0 0.02 0.02) = 0.149% HA2 GLY 114 - HN SER 88 10.000% * 0.0999% (0.46 1.0 0.02 0.02) = 0.100% HB3 SER 77 - HN SER 88 10.000% * 0.0999% (0.46 1.0 0.02 0.02) = 0.100% HB2 SER 77 - HN SER 88 10.000% * 0.0359% (0.17 1.0 0.02 0.02) = 0.036% Peak 768 (8.11, 8.11, 118.45 ppm): 1 diagonal assignment: * HN SER 88 - HN SER 88 (0.88) kept Peak 769 (7.79, 8.11, 118.45 ppm): 4 chemical-shift based assignments, quality = 0.933, support = 3.27, residual support = 11.7: * T HN VAL 87 - HN SER 88 25.000% * 99.7904% (0.93 10.00 3.27 11.74) = 99.790% kept HN THR 46 - HN SER 88 25.000% * 0.0987% (0.92 1.00 0.02 0.02) = 0.099% HN ALA 93 - HN SER 88 25.000% * 0.0731% (0.68 1.00 0.02 0.02) = 0.073% HN LYS+ 55 - HN SER 88 25.000% * 0.0378% (0.35 1.00 0.02 0.02) = 0.038% Peak 770 (4.78, 8.11, 118.45 ppm): 2 chemical-shift based assignments, quality = 0.823, support = 1.08, residual support = 0.795: HA ASN 15 - HN SER 88 50.000% * 81.5641% (0.94 1.14 0.94) = 81.564% kept HA LEU 23 - HN SER 88 50.000% * 18.4359% (0.29 0.83 0.14) = 18.436% kept Peak 771 (4.39, 8.11, 118.45 ppm): 16 chemical-shift based assignments, quality = 0.852, support = 3.34, residual support = 12.4: * O HA SER 88 - HN SER 88 6.250% * 96.0022% (0.87 10.0 3.45 12.96) = 96.002% kept HA PRO 86 - HN SER 88 6.250% * 3.1773% (0.50 1.0 1.16 0.02) = 3.177% kept HA ASN 57 - HN SER 88 6.250% * 0.1004% (0.91 1.0 0.02 0.02) = 0.100% HA THR 95 - HN SER 88 6.250% * 0.0984% (0.89 1.0 0.02 0.02) = 0.098% HA PRO 104 - HN SER 88 6.250% * 0.0902% (0.82 1.0 0.02 0.02) = 0.090% HA ALA 91 - HN SER 88 6.250% * 0.0869% (0.79 1.0 0.02 0.02) = 0.087% HA PRO 112 - HN SER 88 6.250% * 0.0714% (0.65 1.0 0.02 0.02) = 0.071% HA PRO 116 - HN SER 88 6.250% * 0.0631% (0.57 1.0 0.02 0.02) = 0.063% HA SER 27 - HN SER 88 6.250% * 0.0631% (0.57 1.0 0.02 0.02) = 0.063% HA ALA 37 - HN SER 88 6.250% * 0.0589% (0.53 1.0 0.02 0.02) = 0.059% HA LYS+ 60 - HN SER 88 6.250% * 0.0466% (0.42 1.0 0.02 0.02) = 0.047% HA TRP 51 - HN SER 88 6.250% * 0.0428% (0.39 1.0 0.02 0.02) = 0.043% HA HIS+ 14 - HN SER 88 6.250% * 0.0390% (0.35 1.0 0.02 0.02) = 0.039% HB THR 61 - HN SER 88 6.250% * 0.0232% (0.21 1.0 0.02 0.02) = 0.023% HA LYS+ 66 - HN SER 88 6.250% * 0.0206% (0.19 1.0 0.02 0.02) = 0.021% HA2 GLY 26 - HN SER 88 6.250% * 0.0160% (0.15 1.0 0.02 0.02) = 0.016% Peak 772 (4.90, 8.11, 118.45 ppm): 1 chemical-shift based assignment, quality = 0.354, support = 0.02, residual support = 0.02: HA ILE 19 - HN SER 88 100.000% *100.0000% (0.35 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 773 (0.91, 8.11, 118.45 ppm): 13 chemical-shift based assignments, quality = 0.726, support = 2.38, residual support = 7.75: * QG2 VAL 87 - HN SER 88 7.692% * 65.8759% (0.72 3.41 11.74) = 65.876% kept QD1 LEU 67 - HN SER 88 7.692% * 11.5089% (0.85 0.51 0.11) = 11.509% kept HG3 LYS+ 117 - HN SER 88 7.692% * 9.9551% (0.89 0.42 0.02) = 9.955% kept QG2 VAL 40 - HN SER 88 7.692% * 6.3481% (0.72 0.33 0.02) = 6.348% kept QG1 VAL 80 - HN SER 88 7.692% * 3.5524% (0.39 0.34 0.02) = 3.552% kept HG12 ILE 68 - HN SER 88 7.692% * 1.1221% (0.53 0.08 0.02) = 1.122% kept QG1 VAL 47 - HN SER 88 7.692% * 0.4226% (0.79 0.02 0.02) = 0.423% QG2 VAL 80 - HN SER 88 7.692% * 0.3866% (0.72 0.02 0.02) = 0.387% HG3 LYS+ 110 - HN SER 88 7.692% * 0.3273% (0.61 0.02 0.02) = 0.327% QG2 VAL 105 - HN SER 88 7.692% * 0.1561% (0.29 0.02 0.02) = 0.156% QD1 LEU 17 - HN SER 88 7.692% * 0.1407% (0.26 0.02 0.32) = 0.141% QG1 VAL 105 - HN SER 88 7.692% * 0.1261% (0.24 0.02 0.02) = 0.126% QG2 VAL 125 - HN SER 88 7.692% * 0.0781% (0.15 0.02 0.02) = 0.078% Peak 774 (7.90, 7.90, 118.11 ppm): 1 diagonal assignment: * HN LYS+ 44 - HN LYS+ 44 (0.78) kept Peak 775 (0.76, 7.90, 118.11 ppm): 5 chemical-shift based assignments, quality = 0.367, support = 4.38, residual support = 52.0: * HG3 LYS+ 44 - HN LYS+ 44 20.000% * 92.3694% (0.37 4.72 56.31) = 92.369% kept QG2 ILE 48 - HN LYS+ 44 20.000% * 5.4808% (0.31 0.34 0.51) = 5.481% kept HG3 LYS+ 66 - HN LYS+ 44 20.000% * 1.8147% (0.37 0.09 0.24) = 1.815% kept QG2 VAL 65 - HN LYS+ 44 20.000% * 0.1883% (0.18 0.02 0.02) = 0.188% QD1 ILE 68 - HN LYS+ 44 20.000% * 0.1468% (0.14 0.02 0.17) = 0.147% Peak 776 (2.26, 7.90, 118.11 ppm): 12 chemical-shift based assignments, quality = 0.313, support = 4.31, residual support = 49.2: * O HB2 LYS+ 44 - HN LYS+ 44 8.333% * 83.8973% (0.31 10.0 4.67 56.31) = 83.897% kept HB3 GLU- 45 - HN LYS+ 44 8.333% * 10.7395% (0.23 1.0 3.50 16.90) = 10.739% kept HG3 GLU- 75 - HN LYS+ 44 8.333% * 3.7343% (0.81 1.0 0.34 3.27) = 3.734% kept HG2 PRO 112 - HN LYS+ 44 8.333% * 0.2405% (0.88 1.0 0.02 0.27) = 0.241% HG3 GLU- 54 - HN LYS+ 44 8.333% * 0.2374% (0.87 1.0 0.02 0.02) = 0.237% HB VAL 80 - HN LYS+ 44 8.333% * 0.2327% (0.85 1.0 0.02 0.12) = 0.233% HG3 GLU- 107 - HN LYS+ 44 8.333% * 0.2270% (0.83 1.0 0.02 0.02) = 0.227% HB3 LYS+ 117 - HN LYS+ 44 8.333% * 0.2206% (0.81 1.0 0.02 0.02) = 0.221% HB3 PRO 112 - HN LYS+ 44 8.333% * 0.1912% (0.70 1.0 0.02 0.27) = 0.191% HB3 ASN 15 - HN LYS+ 44 8.333% * 0.1197% (0.44 1.0 0.02 0.02) = 0.120% HG3 GLU- 10 - HN LYS+ 44 8.333% * 0.0839% (0.31 1.0 0.02 0.02) = 0.084% HG3 GLN 16 - HN LYS+ 44 8.333% * 0.0759% (0.28 1.0 0.02 0.02) = 0.076% Peak 777 (3.52, 7.90, 118.11 ppm): 3 chemical-shift based assignments, quality = 0.684, support = 4.9, residual support = 55.8: * O HA LYS+ 44 - HN LYS+ 44 33.333% * 99.0089% (0.69 10.0 4.95 56.31) = 99.009% kept HA1 GLY 30 - HN LYS+ 44 33.333% * 0.9125% (0.20 1.0 0.63 0.11) = 0.913% HA1 GLY 26 - HN LYS+ 44 33.333% * 0.0786% (0.55 1.0 0.02 0.02) = 0.079% Peak 778 (2.08, 7.90, 118.11 ppm): 12 chemical-shift based assignments, quality = 0.587, support = 2.58, residual support = 10.6: HB3 GLU- 75 - HN LYS+ 44 8.333% * 43.3882% (0.89 1.72 3.27) = 43.388% kept * HB3 LEU 43 - HN LYS+ 44 8.333% * 32.6582% (0.23 5.13 27.76) = 32.658% kept HB VAL 62 - HN LYS+ 44 8.333% * 13.3525% (0.48 0.99 1.08) = 13.352% kept HB2 LYS+ 110 - HN LYS+ 44 8.333% * 7.2063% (0.89 0.29 0.02) = 7.206% kept HD3 LYS+ 110 - HN LYS+ 44 8.333% * 0.5097% (0.90 0.02 0.02) = 0.510% HB VAL 125 - HN LYS+ 44 8.333% * 0.4832% (0.85 0.02 0.02) = 0.483% HG2 GLN 16 - HN LYS+ 44 8.333% * 0.4832% (0.85 0.02 0.02) = 0.483% HB2 MET 118 - HN LYS+ 44 8.333% * 0.4267% (0.75 0.02 0.02) = 0.427% HB3 LYS+ 120 - HN LYS+ 44 8.333% * 0.4267% (0.75 0.02 0.02) = 0.427% HG2 PRO 112 - HN LYS+ 44 8.333% * 0.4044% (0.72 0.02 0.27) = 0.404% HB VAL 65 - HN LYS+ 44 8.333% * 0.3305% (0.58 0.02 0.02) = 0.330% HB ILE 101 - HN LYS+ 44 8.333% * 0.3305% (0.58 0.02 0.02) = 0.330% Peak 779 (8.20, 7.90, 118.11 ppm): 6 chemical-shift based assignments, quality = 0.617, support = 4.32, residual support = 16.6: * T HN GLU- 45 - HN LYS+ 44 16.667% * 98.2252% (0.62 10.00 4.40 16.90) = 98.225% kept HN ALA 11 - HN LYS+ 44 16.667% * 1.2879% (0.55 1.00 0.30 0.02) = 1.288% kept HN VAL 105 - HN LYS+ 44 16.667% * 0.2503% (0.41 1.00 0.08 0.11) = 0.250% HN ALA 33 - HN LYS+ 44 16.667% * 0.1380% (0.87 1.00 0.02 0.02) = 0.138% HN VAL 94 - HN LYS+ 44 16.667% * 0.0588% (0.37 1.00 0.02 0.02) = 0.059% HN GLN 16 - HN LYS+ 44 16.667% * 0.0398% (0.25 1.00 0.02 0.02) = 0.040% Peak 780 (1.48, 7.90, 118.11 ppm): 10 chemical-shift based assignments, quality = 0.857, support = 4.91, residual support = 53.1: * O HB3 LYS+ 44 - HN LYS+ 44 10.000% * 94.1870% (0.87 10.0 5.18 56.31) = 94.187% kept QB ALA 70 - HN LYS+ 44 10.000% * 2.6276% (0.88 1.0 0.55 0.02) = 2.628% kept HB3 LEU 67 - HN LYS+ 44 10.000% * 1.9174% (0.50 1.0 0.71 0.80) = 1.917% kept HD3 LYS+ 108 - HN LYS+ 44 10.000% * 0.5934% (0.40 1.0 0.28 0.02) = 0.593% HB2 LYS+ 72 - HN LYS+ 44 10.000% * 0.5489% (0.30 1.0 0.34 0.02) = 0.549% HG3 PRO 52 - HN LYS+ 44 10.000% * 0.0463% (0.43 1.0 0.02 0.02) = 0.046% HG13 ILE 48 - HN LYS+ 44 10.000% * 0.0264% (0.25 1.0 0.02 0.51) = 0.026% HG3 LYS+ 72 - HN LYS+ 44 10.000% * 0.0237% (0.22 1.0 0.02 0.02) = 0.024% HG2 PRO 59 - HN LYS+ 44 10.000% * 0.0147% (0.14 1.0 0.02 0.02) = 0.015% HG3 LYS+ 60 - HN LYS+ 44 10.000% * 0.0147% (0.14 1.0 0.02 0.02) = 0.015% Peak 781 (0.91, 7.90, 118.11 ppm): 13 chemical-shift based assignments, quality = 0.652, support = 0.746, residual support = 3.49: QG2 VAL 40 - HN LYS+ 44 7.692% * 23.7800% (0.75 1.21 0.30) = 23.780% kept QG1 VAL 47 - HN LYS+ 44 7.692% * 15.6162% (0.81 0.74 20.97) = 15.616% kept QD1 LEU 67 - HN LYS+ 44 7.692% * 13.1834% (0.85 0.59 0.80) = 13.183% kept HG3 LYS+ 117 - HN LYS+ 44 7.692% * 10.2701% (0.89 0.45 0.02) = 10.270% kept HG12 ILE 68 - HN LYS+ 44 7.692% * 8.1629% (0.44 0.72 0.17) = 8.163% kept HG3 LYS+ 110 - HN LYS+ 44 7.692% * 7.2345% (0.51 0.55 0.02) = 7.235% kept QG2 VAL 105 - HN LYS+ 44 7.692% * 5.1564% (0.23 0.88 0.11) = 5.156% kept QG1 VAL 80 - HN LYS+ 44 7.692% * 4.8626% (0.44 0.43 0.12) = 4.863% kept QG2 VAL 80 - HN LYS+ 44 7.692% * 3.5609% (0.62 0.22 0.12) = 3.561% kept QG1 VAL 105 - HN LYS+ 44 7.692% * 3.3521% (0.18 0.72 0.11) = 3.352% kept QG2 VAL 125 - HN LYS+ 44 7.692% * 2.3606% (0.18 0.51 0.02) = 2.361% kept QD1 LEU 17 - HN LYS+ 44 7.692% * 2.0688% (0.20 0.40 0.02) = 2.069% kept QG2 VAL 87 - HN LYS+ 44 7.692% * 0.3915% (0.75 0.02 0.02) = 0.391% Peak 782 (1.80, 7.90, 118.11 ppm): 12 chemical-shift based assignments, quality = 0.79, support = 1.03, residual support = 0.99: HB3 LYS+ 63 - HN LYS+ 44 8.333% * 46.1617% (0.90 1.52 1.25) = 46.162% kept HG3 LYS+ 63 - HN LYS+ 44 8.333% * 21.4480% (0.69 0.92 1.25) = 21.448% kept HG2 PRO 31 - HN LYS+ 44 8.333% * 14.2815% (0.72 0.59 0.98) = 14.282% kept HB3 LYS+ 108 - HN LYS+ 44 8.333% * 10.9030% (0.90 0.36 0.02) = 10.903% kept HB2 GLU- 109 - HN LYS+ 44 8.333% * 3.0885% (0.51 0.18 0.02) = 3.088% kept HG3 LYS+ 108 - HN LYS+ 44 8.333% * 2.6186% (0.28 0.28 0.02) = 2.619% kept HG3 ARG+ 53 - HN LYS+ 44 8.333% * 0.3695% (0.55 0.02 0.02) = 0.369% HD3 LYS+ 72 - HN LYS+ 44 8.333% * 0.2731% (0.41 0.02 0.02) = 0.273% HB2 ARG+ 84 - HN LYS+ 44 8.333% * 0.2504% (0.37 0.02 0.02) = 0.250% HG2 ARG+ 84 - HN LYS+ 44 8.333% * 0.2286% (0.34 0.02 0.02) = 0.229% HB3 GLU- 18 - HN LYS+ 44 8.333% * 0.2078% (0.31 0.02 0.02) = 0.208% HD3 LYS+ 117 - HN LYS+ 44 8.333% * 0.1694% (0.25 0.02 0.02) = 0.169% Peak 783 (3.78, 7.90, 118.11 ppm): 1 chemical-shift based assignment, quality = 0.179, support = 0.267, residual support = 0.267: HD3 PRO 112 - HN LYS+ 44 100.000% *100.0000% (0.18 0.27 0.27) = 100.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 784 (8.82, 8.83, 118.01 ppm): 1 diagonal assignment: * HN LYS+ 60 - HN LYS+ 60 (0.89) kept Peak 785 (4.26, 8.83, 118.01 ppm): 22 chemical-shift based assignments, quality = 0.613, support = 2.59, residual support = 12.0: O HA PRO 59 - HN LYS+ 60 4.545% * 93.1828% (0.60 10.0 2.74 12.86) = 93.183% kept HA GLU- 75 - HN LYS+ 60 4.545% * 5.1285% (0.99 1.0 0.67 0.18) = 5.129% kept HA GLU- 64 - HN LYS+ 60 4.545% * 0.1506% (0.98 1.0 0.02 0.02) = 0.151% HA GLU- 107 - HN LYS+ 60 4.545% * 0.1418% (0.92 1.0 0.02 0.02) = 0.142% HA ASN 119 - HN LYS+ 60 4.545% * 0.1418% (0.92 1.0 0.02 0.02) = 0.142% HA ASN 76 - HN LYS+ 60 4.545% * 0.1378% (0.89 1.0 0.02 0.15) = 0.138% HA GLU- 56 - HN LYS+ 60 4.545% * 0.1378% (0.89 1.0 0.02 0.02) = 0.138% HA ALA 11 - HN LYS+ 60 4.545% * 0.1283% (0.83 1.0 0.02 0.02) = 0.128% HA ARG+ 84 - HN LYS+ 60 4.545% * 0.1055% (0.68 1.0 0.02 0.02) = 0.106% HA SER 85 - HN LYS+ 60 4.545% * 0.1055% (0.68 1.0 0.02 0.02) = 0.106% HA PRO 52 - HN LYS+ 60 4.545% * 0.1055% (0.68 1.0 0.02 0.02) = 0.106% HA VAL 94 - HN LYS+ 60 4.545% * 0.0994% (0.64 1.0 0.02 0.02) = 0.099% HA VAL 122 - HN LYS+ 60 4.545% * 0.0689% (0.45 1.0 0.02 0.02) = 0.069% HA LEU 90 - HN LYS+ 60 4.545% * 0.0577% (0.37 1.0 0.02 0.02) = 0.058% HA LYS+ 108 - HN LYS+ 60 4.545% * 0.0524% (0.34 1.0 0.02 0.02) = 0.052% HA GLU- 10 - HN LYS+ 60 4.545% * 0.0524% (0.34 1.0 0.02 0.02) = 0.052% HA GLU- 54 - HN LYS+ 60 4.545% * 0.0524% (0.34 1.0 0.02 0.02) = 0.052% HB3 SER 49 - HN LYS+ 60 4.545% * 0.0388% (0.25 1.0 0.02 0.02) = 0.039% HB3 CYS 121 - HN LYS+ 60 4.545% * 0.0342% (0.22 1.0 0.02 0.02) = 0.034% HA ALA 42 - HN LYS+ 60 4.545% * 0.0304% (0.20 1.0 0.02 0.02) = 0.030% HA THR 106 - HN LYS+ 60 4.545% * 0.0237% (0.15 1.0 0.02 0.02) = 0.024% HA SER 49 - HN LYS+ 60 4.545% * 0.0237% (0.15 1.0 0.02 0.02) = 0.024% Reference assignment not found: HA LYS+ 60 - HN LYS+ 60 Peak 786 (7.43, 8.83, 118.01 ppm): 2 chemical-shift based assignments, quality = 0.96, support = 4.21, residual support = 15.1: * T HN THR 61 - HN LYS+ 60 50.000% * 99.9795% (0.96 10.00 4.21 15.13) = 99.979% kept HN GLU- 64 - HN LYS+ 60 50.000% * 0.0205% (0.20 1.00 0.02 0.02) = 0.021% Peak 787 (1.84, 8.83, 118.01 ppm): 12 chemical-shift based assignments, quality = 0.811, support = 4.46, residual support = 25.9: O HB2 PRO 59 - HN LYS+ 60 8.333% * 55.4168% (0.94 10.0 4.01 12.86) = 55.417% kept * O HB3 LYS+ 60 - HN LYS+ 60 8.333% * 40.2408% (0.68 10.0 5.15 45.24) = 40.241% kept HD2 PRO 59 - HN LYS+ 60 8.333% * 4.0874% (0.34 1.0 4.09 12.86) = 4.087% kept HB2 LYS+ 66 - HN LYS+ 60 8.333% * 0.0565% (0.96 1.0 0.02 0.02) = 0.057% HB3 LYS+ 72 - HN LYS+ 60 8.333% * 0.0379% (0.64 1.0 0.02 0.02) = 0.038% HB2 PRO 104 - HN LYS+ 60 8.333% * 0.0355% (0.60 1.0 0.02 0.02) = 0.036% HD3 LYS+ 117 - HN LYS+ 60 8.333% * 0.0308% (0.52 1.0 0.02 0.02) = 0.031% HG3 LYS+ 108 - HN LYS+ 60 8.333% * 0.0285% (0.48 1.0 0.02 0.02) = 0.029% HB VAL 94 - HN LYS+ 60 8.333% * 0.0220% (0.37 1.0 0.02 0.02) = 0.022% HD3 LYS+ 72 - HN LYS+ 60 8.333% * 0.0200% (0.34 1.0 0.02 0.02) = 0.020% HB2 GLU- 109 - HN LYS+ 60 8.333% * 0.0146% (0.25 1.0 0.02 0.02) = 0.015% HG2 PRO 112 - HN LYS+ 60 8.333% * 0.0091% (0.15 1.0 0.02 0.02) = 0.009% Peak 788 (1.44, 8.83, 118.01 ppm): 14 chemical-shift based assignments, quality = 0.585, support = 4.24, residual support = 27.8: * HG3 LYS+ 60 - HN LYS+ 60 7.143% * 49.9767% (0.60 5.11 45.24) = 49.977% kept HG2 PRO 59 - HN LYS+ 60 7.143% * 40.2983% (0.60 4.12 12.86) = 40.298% kept QG2 THR 38 - HN LYS+ 60 7.143% * 3.4194% (0.68 0.31 0.02) = 3.419% kept HD3 LYS+ 44 - HN LYS+ 60 7.143% * 2.3794% (0.48 0.30 0.02) = 2.379% kept HG13 ILE 48 - HN LYS+ 60 7.143% * 2.1444% (0.41 0.32 1.86) = 2.144% kept HG LEU 90 - HN LYS+ 60 7.143% * 0.3218% (0.99 0.02 0.02) = 0.322% HG3 LYS+ 113 - HN LYS+ 60 7.143% * 0.2892% (0.89 0.02 0.02) = 0.289% HG3 ARG+ 22 - HN LYS+ 60 7.143% * 0.2694% (0.83 0.02 0.02) = 0.269% HG3 LYS+ 55 - HN LYS+ 60 7.143% * 0.2694% (0.83 0.02 0.02) = 0.269% HD3 LYS+ 113 - HN LYS+ 60 7.143% * 0.2583% (0.79 0.02 0.02) = 0.258% QB ALA 91 - HN LYS+ 60 7.143% * 0.1956% (0.60 0.02 0.02) = 0.196% HG3 PRO 52 - HN LYS+ 60 7.143% * 0.0718% (0.22 0.02 0.02) = 0.072% HB3 LEU 67 - HN LYS+ 60 7.143% * 0.0565% (0.17 0.02 0.02) = 0.056% QB ALA 37 - HN LYS+ 60 7.143% * 0.0498% (0.15 0.02 0.02) = 0.050% Peak 789 (4.37, 8.83, 118.01 ppm): 11 chemical-shift based assignments, quality = 0.97, support = 4.71, residual support = 41.0: * O HA LYS+ 60 - HN LYS+ 60 9.091% * 86.2582% (0.99 10.0 4.92 45.24) = 86.258% kept HB THR 61 - HN LYS+ 60 9.091% * 13.2093% (0.86 1.0 3.52 15.13) = 13.209% kept HA TRP 51 - HN LYS+ 60 9.091% * 0.0857% (0.99 1.0 0.02 0.02) = 0.086% HA ALA 37 - HN LYS+ 60 9.091% * 0.0857% (0.99 1.0 0.02 0.02) = 0.086% HA SER 27 - HN LYS+ 60 9.091% * 0.0847% (0.98 1.0 0.02 0.02) = 0.085% HA ALA 91 - HN LYS+ 60 9.091% * 0.0722% (0.83 1.0 0.02 0.02) = 0.072% HA2 GLY 26 - HN LYS+ 60 9.091% * 0.0661% (0.76 1.0 0.02 0.02) = 0.066% HA SER 88 - HN LYS+ 60 9.091% * 0.0628% (0.72 1.0 0.02 0.02) = 0.063% HA ASN 57 - HN LYS+ 60 9.091% * 0.0295% (0.34 1.0 0.02 0.02) = 0.029% HA THR 95 - HN LYS+ 60 9.091% * 0.0267% (0.31 1.0 0.02 0.02) = 0.027% HA PRO 104 - HN LYS+ 60 9.091% * 0.0192% (0.22 1.0 0.02 0.02) = 0.019% Peak 790 (1.57, 8.83, 118.01 ppm): 10 chemical-shift based assignments, quality = 0.949, support = 4.18, residual support = 36.1: * HD3 LYS+ 60 - HN LYS+ 60 10.000% * 79.6834% (0.96 4.98 45.24) = 79.683% kept HB ILE 19 - HN LYS+ 60 10.000% * 18.5657% (0.99 1.12 0.42) = 18.566% kept HG LEU 17 - HN LYS+ 60 10.000% * 0.3285% (0.99 0.02 0.02) = 0.329% HD3 LYS+ 81 - HN LYS+ 60 10.000% * 0.3060% (0.92 0.02 0.13) = 0.306% QB ALA 42 - HN LYS+ 60 10.000% * 0.2277% (0.68 0.02 0.02) = 0.228% HG12 ILE 29 - HN LYS+ 60 10.000% * 0.2277% (0.68 0.02 0.02) = 0.228% HB3 LEU 90 - HN LYS+ 60 10.000% * 0.2010% (0.60 0.02 0.02) = 0.201% HB3 LYS+ 32 - HN LYS+ 60 10.000% * 0.1744% (0.52 0.02 0.16) = 0.174% HG13 ILE 29 - HN LYS+ 60 10.000% * 0.1613% (0.48 0.02 0.02) = 0.161% QG2 THR 24 - HN LYS+ 60 10.000% * 0.1244% (0.37 0.02 0.02) = 0.124% Peak 791 (0.70, 8.83, 118.01 ppm): 12 chemical-shift based assignments, quality = 0.785, support = 0.854, residual support = 0.708: QG2 ILE 48 - HN LYS+ 60 8.333% * 21.4416% (0.94 1.02 1.86) = 21.442% kept HG LEU 74 - HN LYS+ 60 8.333% * 17.1887% (0.52 1.47 1.30) = 17.189% kept QG1 VAL 65 - HN LYS+ 60 8.333% * 16.8389% (0.99 0.76 0.02) = 16.839% kept QG2 THR 96 - HN LYS+ 60 8.333% * 13.7525% (0.96 0.64 0.02) = 13.752% kept QD1 ILE 19 - HN LYS+ 60 8.333% * 8.8534% (0.68 0.58 0.42) = 8.853% kept HG12 ILE 19 - HN LYS+ 60 8.333% * 8.6166% (0.56 0.68 0.42) = 8.617% kept QG2 ILE 101 - HN LYS+ 60 8.333% * 7.8770% (1.00 0.35 0.02) = 7.877% kept QG1 VAL 40 - HN LYS+ 60 8.333% * 3.1774% (0.17 0.81 0.02) = 3.177% kept QG1 VAL 62 - HN LYS+ 60 8.333% * 1.0808% (0.15 0.31 0.45) = 1.081% kept QD1 ILE 68 - HN LYS+ 60 8.333% * 0.6328% (0.15 0.18 0.02) = 0.633% QG2 ILE 68 - HN LYS+ 60 8.333% * 0.2702% (0.60 0.02 0.02) = 0.270% QG2 VAL 94 - HN LYS+ 60 8.333% * 0.2702% (0.60 0.02 0.02) = 0.270% Reference assignment not found: QG2 VAL 65 - HN LYS+ 60 Peak 794 (7.60, 7.61, 117.98 ppm): 1 diagonal assignment: * HN ASP- 25 - HN ASP- 25 (0.96) kept Peak 795 (8.11, 7.61, 117.98 ppm): 3 chemical-shift based assignments, quality = 0.862, support = 3.69, residual support = 9.93: * T HN GLY 26 - HN ASP- 25 33.333% * 99.8220% (0.86 10.00 3.70 9.94) = 99.822% kept HN SER 88 - HN ASP- 25 33.333% * 0.1128% (0.98 1.00 0.02 0.02) = 0.113% HN VAL 122 - HN ASP- 25 33.333% * 0.0652% (0.56 1.00 0.02 0.02) = 0.065% Peak 796 (2.62, 7.61, 117.98 ppm): 5 chemical-shift based assignments, quality = 0.911, support = 3.28, residual support = 23.7: * O HB2 ASP- 25 - HN ASP- 25 20.000% * 99.1979% (0.92 10.0 3.31 23.93) = 99.198% kept HG2 PRO 112 - HN ASP- 25 20.000% * 0.5290% (0.14 1.0 0.71 0.02) = 0.529% HE3 LYS+ 20 - HN ASP- 25 20.000% * 0.1053% (0.98 1.0 0.02 0.02) = 0.105% HB2 PHE 34 - HN ASP- 25 20.000% * 0.0898% (0.83 1.0 0.02 0.02) = 0.090% HG2 MET 118 - HN ASP- 25 20.000% * 0.0780% (0.72 1.0 0.02 0.02) = 0.078% Peak 797 (9.35, 7.61, 117.98 ppm): 1 chemical-shift based assignment, quality = 0.76, support = 4.94, residual support = 13.7: * T HN THR 24 - HN ASP- 25 100.000% *100.0000% (0.76 10.00 4.94 13.72) = 100.000% kept Peak 798 (4.60, 7.61, 117.98 ppm): 3 chemical-shift based assignments, quality = 0.974, support = 3.9, residual support = 23.9: * O HA ASP- 25 - HN ASP- 25 33.333% * 99.9006% (0.98 10.0 3.91 23.93) = 99.901% kept HA LYS+ 72 - HN ASP- 25 33.333% * 0.0740% (0.72 1.0 0.02 0.02) = 0.074% HA LYS+ 78 - HN ASP- 25 33.333% * 0.0254% (0.25 1.0 0.02 0.02) = 0.025% Peak 799 (3.09, 7.61, 117.98 ppm): 2 chemical-shift based assignments, quality = 0.405, support = 3.28, residual support = 23.7: * O HB3 ASP- 25 - HN ASP- 25 50.000% * 99.0873% (0.41 10.0 3.31 23.93) = 99.087% kept HA VAL 47 - HN ASP- 25 50.000% * 0.9127% (0.96 1.0 0.08 0.02) = 0.913% Peak 800 (4.40, 7.61, 117.98 ppm): 14 chemical-shift based assignments, quality = 0.771, support = 0.198, residual support = 0.0196: HA PRO 112 - HN ASP- 25 7.143% * 47.5854% (0.96 0.27 0.02) = 47.585% kept HA SER 27 - HN ASP- 25 7.143% * 16.8299% (0.28 0.33 0.02) = 16.830% kept HA HIS+ 14 - HN ASP- 25 7.143% * 10.6236% (0.72 0.08 0.02) = 10.624% kept HA PRO 104 - HN ASP- 25 7.143% * 3.6315% (0.99 0.02 0.02) = 3.632% kept HA THR 95 - HN ASP- 25 7.143% * 3.5125% (0.96 0.02 0.02) = 3.512% kept HA ASN 57 - HN ASP- 25 7.143% * 3.4429% (0.94 0.02 0.02) = 3.443% kept HA PRO 116 - HN ASP- 25 7.143% * 3.3598% (0.92 0.02 0.02) = 3.360% kept HA PRO 86 - HN ASP- 25 7.143% * 3.1571% (0.86 0.02 0.02) = 3.157% kept HA SER 88 - HN ASP- 25 7.143% * 2.2075% (0.60 0.02 0.02) = 2.208% kept HA ALA 91 - HN ASP- 25 7.143% * 1.7716% (0.48 0.02 0.02) = 1.772% kept HA LYS+ 66 - HN ASP- 25 7.143% * 1.7716% (0.48 0.02 0.02) = 1.772% kept HA ALA 37 - HN ASP- 25 7.143% * 0.9075% (0.25 0.02 0.02) = 0.908% HA LYS+ 60 - HN ASP- 25 7.143% * 0.6374% (0.17 0.02 0.02) = 0.637% HA TRP 51 - HN ASP- 25 7.143% * 0.5616% (0.15 0.02 0.02) = 0.562% Reference assignment not found: HB THR 24 - HN ASP- 25 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 801 (1.73, 7.61, 117.98 ppm): 5 chemical-shift based assignments, quality = 0.577, support = 2.05, residual support = 3.14: * HB3 LEU 23 - HN ASP- 25 20.000% * 60.3013% (0.45 2.85 4.93) = 60.301% kept HB2 GLN 16 - HN ASP- 25 20.000% * 35.8887% (0.83 0.91 0.47) = 35.889% kept HB2 LYS+ 117 - HN ASP- 25 20.000% * 1.6528% (0.41 0.09 0.02) = 1.653% kept HB2 LEU 17 - HN ASP- 25 20.000% * 1.5849% (0.20 0.17 0.02) = 1.585% kept HB ILE 48 - HN ASP- 25 20.000% * 0.5722% (0.60 0.02 0.02) = 0.572% Peak 802 (1.92, 7.61, 117.98 ppm): 15 chemical-shift based assignments, quality = 0.888, support = 2.17, residual support = 3.11: * HB2 LEU 23 - HN ASP- 25 6.667% * 59.2088% (0.99 3.04 4.93) = 59.209% kept HB ILE 29 - HN ASP- 25 6.667% * 22.8970% (0.92 1.27 0.80) = 22.897% kept HB2 PRO 112 - HN ASP- 25 6.667% * 6.7123% (0.79 0.44 0.02) = 6.712% kept HG2 PRO 112 - HN ASP- 25 6.667% * 4.3520% (0.31 0.71 0.02) = 4.352% kept HB2 PRO 116 - HN ASP- 25 6.667% * 3.1874% (0.60 0.27 0.02) = 3.187% kept HB3 GLN 16 - HN ASP- 25 6.667% * 2.1079% (0.17 0.62 0.47) = 2.108% kept HD3 LYS+ 63 - HN ASP- 25 6.667% * 0.3600% (0.92 0.02 0.02) = 0.360% HB3 GLN 102 - HN ASP- 25 6.667% * 0.2980% (0.76 0.02 0.02) = 0.298% HB2 GLU- 10 - HN ASP- 25 6.667% * 0.2365% (0.60 0.02 0.02) = 0.237% HB3 ARG+ 53 - HN ASP- 25 6.667% * 0.1898% (0.48 0.02 0.02) = 0.190% HB3 CYS 123 - HN ASP- 25 6.667% * 0.1330% (0.34 0.02 0.02) = 0.133% HB2 GLU- 75 - HN ASP- 25 6.667% * 0.1204% (0.31 0.02 0.02) = 0.120% HG2 GLU- 18 - HN ASP- 25 6.667% * 0.0683% (0.17 0.02 0.02) = 0.068% HB3 LYS+ 55 - HN ASP- 25 6.667% * 0.0683% (0.17 0.02 0.02) = 0.068% HG3 PRO 31 - HN ASP- 25 6.667% * 0.0602% (0.15 0.02 0.02) = 0.060% Peak 803 (1.55, 7.61, 117.98 ppm): 9 chemical-shift based assignments, quality = 0.908, support = 3.74, residual support = 8.44: * QG2 THR 24 - HN ASP- 25 11.111% * 59.5959% (0.98 5.26 13.72) = 59.596% kept HG13 ILE 29 - HN ASP- 25 11.111% * 21.2231% (0.92 1.99 0.80) = 21.223% kept HG12 ILE 29 - HN ASP- 25 11.111% * 11.4838% (0.76 1.30 0.80) = 11.484% kept QB ALA 42 - HN ASP- 25 11.111% * 4.7840% (0.76 0.54 0.02) = 4.784% kept HD3 LYS+ 60 - HN ASP- 25 11.111% * 1.8668% (0.41 0.39 0.02) = 1.867% kept HG LEU 17 - HN ASP- 25 11.111% * 0.6695% (0.34 0.17 0.02) = 0.669% HB3 LEU 90 - HN ASP- 25 11.111% * 0.1931% (0.83 0.02 0.02) = 0.193% HD3 LYS+ 81 - HN ASP- 25 11.111% * 0.1125% (0.48 0.02 0.02) = 0.113% HB ILE 19 - HN ASP- 25 11.111% * 0.0714% (0.31 0.02 0.02) = 0.071% Peak 804 (8.58, 8.59, 117.77 ppm): 1 diagonal assignment: * HN THR 39 - HN THR 39 (0.91) kept Peak 805 (4.00, 8.59, 117.77 ppm): 4 chemical-shift based assignments, quality = 0.832, support = 3.25, residual support = 13.9: * O HA THR 38 - HN THR 39 25.000% * 94.0470% (0.83 10.0 3.39 14.77) = 94.047% kept HB THR 95 - HN THR 39 25.000% * 5.8208% (0.95 1.0 1.07 0.17) = 5.821% kept HA1 GLY 92 - HN THR 39 25.000% * 0.0818% (0.72 1.0 0.02 0.02) = 0.082% HA VAL 13 - HN THR 39 25.000% * 0.0505% (0.44 1.0 0.02 0.02) = 0.050% Peak 806 (1.38, 8.59, 117.77 ppm): 11 chemical-shift based assignments, quality = 0.911, support = 2.41, residual support = 4.49: * QG2 THR 39 - HN THR 39 9.091% * 76.1953% (0.99 3.05 5.79) = 76.195% kept HG2 LYS+ 78 - HN THR 39 9.091% * 8.7103% (0.94 0.37 0.13) = 8.710% kept HB3 LYS+ 20 - HN THR 39 9.091% * 6.8736% (0.64 0.43 0.50) = 6.874% kept HD3 LYS+ 20 - HN THR 39 9.091% * 5.8146% (0.56 0.41 0.50) = 5.815% kept HG13 ILE 100 - HN THR 39 9.091% * 0.9623% (0.25 0.15 0.02) = 0.962% HG13 ILE 68 - HN THR 39 9.091% * 0.4719% (0.94 0.02 0.02) = 0.472% QB ALA 11 - HN THR 39 9.091% * 0.3427% (0.68 0.02 0.02) = 0.343% HB3 LEU 17 - HN THR 39 9.091% * 0.2237% (0.44 0.02 0.02) = 0.224% HG3 LYS+ 81 - HN THR 39 9.091% * 0.1702% (0.34 0.02 0.02) = 0.170% QB ALA 93 - HN THR 39 9.091% * 0.1244% (0.25 0.02 0.02) = 0.124% HG LEU 67 - HN THR 39 9.091% * 0.1111% (0.22 0.02 0.02) = 0.111% Peak 807 (1.54, 8.59, 117.77 ppm): 9 chemical-shift based assignments, quality = 0.59, support = 2.35, residual support = 7.25: * QB ALA 42 - HN THR 39 11.111% * 81.2004% (0.60 2.84 8.92) = 81.200% kept QG2 THR 24 - HN THR 39 11.111% * 10.0590% (0.89 0.24 0.02) = 10.059% kept HB ILE 19 - HN THR 39 11.111% * 3.9311% (0.20 0.42 0.14) = 3.931% kept HD3 LYS+ 60 - HN THR 39 11.111% * 2.3029% (0.27 0.18 0.02) = 2.303% kept HG13 ILE 29 - HN THR 39 11.111% * 0.7552% (0.79 0.02 0.02) = 0.755% HB3 LEU 90 - HN THR 39 11.111% * 0.6478% (0.68 0.02 0.55) = 0.648% HG12 ILE 29 - HN THR 39 11.111% * 0.5720% (0.60 0.02 0.02) = 0.572% HD3 LYS+ 81 - HN THR 39 11.111% * 0.3217% (0.34 0.02 0.02) = 0.322% HG LEU 17 - HN THR 39 11.111% * 0.2100% (0.22 0.02 0.02) = 0.210% Peak 808 (4.74, 8.59, 117.77 ppm): 3 chemical-shift based assignments, quality = 0.193, support = 2.22, residual support = 5.45: * O HA THR 39 - HN THR 39 33.333% * 93.5080% (0.17 10.0 2.35 5.79) = 93.508% kept HA LYS+ 20 - HN THR 39 33.333% * 6.3732% (0.48 1.0 0.49 0.50) = 6.373% kept HA2 GLY 30 - HN THR 39 33.333% * 0.1189% (0.22 1.0 0.02 0.02) = 0.119% Peak 809 (8.74, 8.59, 117.77 ppm): 4 chemical-shift based assignments, quality = 0.823, support = 0.118, residual support = 0.02: HN ILE 101 - HN THR 39 25.000% * 55.6685% (0.86 0.15 0.02) = 55.668% kept HN GLU- 56 - HN THR 39 25.000% * 33.6361% (0.83 0.09 0.02) = 33.636% kept HN VAL 62 - HN THR 39 25.000% * 6.2019% (0.72 0.02 0.02) = 6.202% kept HN PHE 34 - HN THR 39 25.000% * 4.4935% (0.52 0.02 0.02) = 4.494% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 810 (7.72, 8.59, 117.77 ppm): 2 chemical-shift based assignments, quality = 0.599, support = 2.17, residual support = 8.91: * T HN ALA 42 - HN THR 39 50.000% * 99.8480% (0.60 10.00 2.17 8.92) = 99.848% kept HN VAL 13 - HN THR 39 50.000% * 0.1520% (0.91 1.00 0.02 0.02) = 0.152% Peak 811 (7.88, 8.59, 117.77 ppm): 4 chemical-shift based assignments, quality = 0.671, support = 2.68, residual support = 13.0: * T HN THR 38 - HN THR 39 25.000% * 87.3637% (0.64 10.00 2.85 14.77) = 87.364% kept HN LEU 90 - HN THR 39 25.000% * 11.4161% (0.98 1.00 1.71 0.55) = 11.416% kept HN LYS+ 44 - HN THR 39 25.000% * 0.6905% (0.89 1.00 0.11 0.02) = 0.691% HD22 ASN 89 - HN THR 39 25.000% * 0.5296% (0.76 1.00 0.10 0.02) = 0.530% Peak 812 (8.01, 8.02, 117.84 ppm): 1 diagonal assignment: * HN SER 27 - HN SER 27 (0.97) kept Peak 813 (4.36, 8.02, 117.84 ppm): 7 chemical-shift based assignments, quality = 0.717, support = 2.28, residual support = 6.56: * O HA2 GLY 26 - HN SER 27 14.286% * 69.2560% (0.87 10.0 2.44 6.98) = 69.256% kept O HA SER 27 - HN SER 27 14.286% * 28.7542% (0.36 10.0 1.98 5.99) = 28.754% kept HA TRP 51 - HN SER 27 14.286% * 1.8403% (0.55 1.0 0.84 0.11) = 1.840% kept HB THR 61 - HN SER 27 14.286% * 0.0618% (0.78 1.0 0.02 0.02) = 0.062% HA LYS+ 60 - HN SER 27 14.286% * 0.0406% (0.51 1.0 0.02 0.02) = 0.041% HA ALA 37 - HN SER 27 14.286% * 0.0317% (0.40 1.0 0.02 0.02) = 0.032% HA ALA 91 - HN SER 27 14.286% * 0.0153% (0.19 1.0 0.02 0.02) = 0.015% Peak 814 (3.78, 8.02, 117.84 ppm): 2 chemical-shift based assignments, quality = 0.15, support = 0.156, residual support = 0.14: HD3 PRO 104 - HN SER 27 50.000% * 89.5896% (0.15 0.17 0.15) = 89.590% kept HD3 PRO 112 - HN SER 27 50.000% * 10.4104% (0.15 0.02 0.02) = 10.410% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 815 (3.69, 8.02, 117.84 ppm): 3 chemical-shift based assignments, quality = 0.778, support = 0.113, residual support = 0.0917: HB2 TRP 51 - HN SER 27 33.333% * 81.7475% (0.81 0.13 0.11) = 81.748% kept HA LYS+ 81 - HN SER 27 33.333% * 11.1505% (0.74 0.02 0.02) = 11.151% kept HB3 SER 69 - HN SER 27 33.333% * 7.1020% (0.47 0.02 0.02) = 7.102% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 816 (3.51, 8.02, 117.84 ppm): 3 chemical-shift based assignments, quality = 0.223, support = 2.56, residual support = 6.83: * O HA1 GLY 26 - HN SER 27 33.333% * 97.8465% (0.22 10.0 2.61 6.98) = 97.847% kept HA1 GLY 30 - HN SER 27 33.333% * 2.0036% (0.59 1.0 0.15 0.02) = 2.004% kept HA LYS+ 44 - HN SER 27 33.333% * 0.1499% (0.33 1.0 0.02 0.02) = 0.150% Peak 817 (3.86, 8.02, 117.84 ppm): 11 chemical-shift based assignments, quality = 0.66, support = 1.83, residual support = 5.93: * O HB3 SER 27 - HN SER 27 9.091% * 99.0945% (0.67 10.0 1.84 5.99) = 99.095% kept HB3 SER 88 - HN SER 27 9.091% * 0.1480% (0.92 1.0 0.02 0.02) = 0.148% HB2 SER 85 - HN SER 27 9.091% * 0.1444% (0.89 1.0 0.02 0.02) = 0.144% HA2 GLY 114 - HN SER 27 9.091% * 0.1403% (0.87 1.0 0.02 0.02) = 0.140% HB3 SER 77 - HN SER 27 9.091% * 0.1403% (0.87 1.0 0.02 0.02) = 0.140% HA LYS+ 117 - HN SER 27 9.091% * 0.1012% (0.63 1.0 0.02 0.02) = 0.101% HA GLU- 45 - HN SER 27 9.091% * 0.1012% (0.63 1.0 0.02 0.02) = 0.101% HD3 PRO 35 - HN SER 27 9.091% * 0.0435% (0.27 1.0 0.02 0.02) = 0.044% HD2 PRO 116 - HN SER 27 9.091% * 0.0348% (0.22 1.0 0.02 0.02) = 0.035% HD2 PRO 86 - HN SER 27 9.091% * 0.0274% (0.17 1.0 0.02 0.02) = 0.027% HA2 GLY 92 - HN SER 27 9.091% * 0.0241% (0.15 1.0 0.02 0.02) = 0.024% Peak 818 (1.71, 8.02, 117.84 ppm): 4 chemical-shift based assignments, quality = 0.707, support = 0.645, residual support = 0.938: HB2 GLN 16 - HN SER 27 25.000% * 77.2958% (0.78 0.75 1.21) = 77.296% kept HG2 PRO 52 - HN SER 27 25.000% * 21.0224% (0.51 0.31 0.02) = 21.022% kept HG13 ILE 19 - HN SER 27 25.000% * 0.9661% (0.36 0.02 0.02) = 0.966% HD3 LYS+ 55 - HN SER 27 25.000% * 0.7157% (0.27 0.02 0.02) = 0.716% Peak 819 (8.18, 8.02, 117.84 ppm): 5 chemical-shift based assignments, quality = 0.826, support = 0.717, residual support = 1.15: HN GLN 16 - HN SER 27 20.000% * 95.4744% (0.84 0.75 1.21) = 95.474% kept HN ALA 33 - HN SER 27 20.000% * 2.1313% (0.70 0.02 0.02) = 2.131% kept HN SER 41 - HN SER 27 20.000% * 1.5442% (0.51 0.02 0.02) = 1.544% kept HN GLU- 45 - HN SER 27 20.000% * 0.4529% (0.15 0.02 0.02) = 0.453% HN SER 77 - HN SER 27 20.000% * 0.3972% (0.13 0.02 0.02) = 0.397% Peak 820 (9.07, 7.25, 117.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 821 (10.29, 7.25, 117.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 822 (4.09, 8.46, 117.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 823 (1.79, 8.46, 117.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 824 (4.36, 8.29, 117.49 ppm): 8 chemical-shift based assignments, quality = 0.555, support = 2.32, residual support = 5.5: * O HA SER 27 - HN ASP- 28 12.500% * 90.1551% (0.53 10.0 2.49 6.10) = 90.155% kept HA2 GLY 26 - HN ASP- 28 12.500% * 8.2740% (0.98 1.0 0.99 0.02) = 8.274% kept HB THR 61 - HN ASP- 28 12.500% * 0.9489% (0.92 1.0 0.12 0.02) = 0.949% HA ALA 91 - HN ASP- 28 12.500% * 0.2447% (0.31 1.0 0.09 0.02) = 0.245% HA TRP 51 - HN ASP- 28 12.500% * 0.1244% (0.73 1.0 0.02 0.02) = 0.124% HA LYS+ 60 - HN ASP- 28 12.500% * 0.1177% (0.69 1.0 0.02 0.02) = 0.118% HA ALA 37 - HN ASP- 28 12.500% * 0.0970% (0.57 1.0 0.02 0.02) = 0.097% HA SER 88 - HN ASP- 28 12.500% * 0.0382% (0.22 1.0 0.02 0.02) = 0.038% Peak 825 (8.29, 8.29, 117.49 ppm): 1 diagonal assignment: * HN ASP- 28 - HN ASP- 28 (1.00) kept Peak 826 (3.85, 8.29, 117.49 ppm): 10 chemical-shift based assignments, quality = 0.389, support = 2.33, residual support = 5.57: * HB3 SER 27 - HN ASP- 28 10.000% * 91.2655% (0.37 2.55 6.10) = 91.265% kept HA LYS+ 117 - HN ASP- 28 10.000% * 1.7589% (0.92 0.02 0.02) = 1.759% kept HB3 SER 88 - HN ASP- 28 10.000% * 1.3088% (0.69 0.02 0.02) = 1.309% kept HB2 SER 85 - HN ASP- 28 10.000% * 1.2326% (0.65 0.02 0.02) = 1.233% kept HA2 GLY 114 - HN ASP- 28 10.000% * 1.1557% (0.61 0.02 0.02) = 1.156% kept HB3 SER 77 - HN ASP- 28 10.000% * 1.1557% (0.61 0.02 0.02) = 1.156% kept HA2 GLY 92 - HN ASP- 28 10.000% * 0.7151% (0.37 0.02 0.02) = 0.715% HA GLU- 45 - HN ASP- 28 10.000% * 0.6499% (0.34 0.02 0.02) = 0.650% HD3 PRO 116 - HN ASP- 28 10.000% * 0.4242% (0.22 0.02 0.02) = 0.424% HD3 PRO 86 - HN ASP- 28 10.000% * 0.3337% (0.17 0.02 0.02) = 0.334% Peak 827 (3.75, 8.29, 117.49 ppm): 2 chemical-shift based assignments, quality = 0.949, support = 0.02, residual support = 0.02: HD3 PRO 104 - HN ASP- 28 50.000% * 52.6641% (1.00 0.02 0.02) = 52.664% kept HA LEU 43 - HN ASP- 28 50.000% * 47.3359% (0.90 0.02 0.02) = 47.336% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 828 (2.11, 8.29, 117.49 ppm): 13 chemical-shift based assignments, quality = 0.417, support = 3.0, residual support = 32.0: * O HB2 ASP- 28 - HN ASP- 28 7.692% * 84.3987% (0.34 10.0 3.47 37.87) = 84.399% kept HG2 PRO 112 - HN ASP- 28 7.692% * 6.3610% (0.86 1.0 0.59 0.02) = 6.361% kept HB3 LEU 43 - HN ASP- 28 7.692% * 6.1607% (0.96 1.0 0.52 0.02) = 6.161% kept HB VAL 105 - HN ASP- 28 7.692% * 1.7785% (0.83 1.0 0.17 0.02) = 1.779% kept HB VAL 87 - HN ASP- 28 7.692% * 0.2452% (0.99 1.0 0.02 0.02) = 0.245% HB2 GLU- 56 - HN ASP- 28 7.692% * 0.2425% (0.98 1.0 0.02 0.02) = 0.243% HB3 GLU- 75 - HN ASP- 28 7.692% * 0.2343% (0.95 1.0 0.02 0.02) = 0.234% HG2 GLU- 45 - HN ASP- 28 7.692% * 0.1601% (0.65 1.0 0.02 0.02) = 0.160% HB VAL 65 - HN ASP- 28 7.692% * 0.1501% (0.61 1.0 0.02 0.02) = 0.150% HB2 MET 118 - HN ASP- 28 7.692% * 0.1017% (0.41 1.0 0.02 0.02) = 0.102% HB VAL 125 - HN ASP- 28 7.692% * 0.0688% (0.28 1.0 0.02 0.02) = 0.069% HB2 LYS+ 110 - HN ASP- 28 7.692% * 0.0551% (0.22 1.0 0.02 0.02) = 0.055% HD3 LYS+ 110 - HN ASP- 28 7.692% * 0.0433% (0.17 1.0 0.02 0.02) = 0.043% Peak 829 (2.37, 8.29, 117.49 ppm): 7 chemical-shift based assignments, quality = 0.42, support = 3.54, residual support = 35.2: * O HB3 ASP- 28 - HN ASP- 28 14.286% * 92.9367% (0.41 10.0 3.77 37.87) = 92.937% kept HG2 PRO 112 - HN ASP- 28 14.286% * 5.0740% (0.75 1.0 0.59 0.02) = 5.074% kept HB3 GLU- 50 - HN ASP- 28 14.286% * 0.8918% (0.92 1.0 0.09 0.02) = 0.892% HB2 LYS+ 78 - HN ASP- 28 14.286% * 0.7306% (0.65 1.0 0.10 0.47) = 0.731% HG3 GLU- 50 - HN ASP- 28 14.286% * 0.1810% (0.80 1.0 0.02 0.02) = 0.181% HB2 GLU- 64 - HN ASP- 28 14.286% * 0.1462% (0.65 1.0 0.02 0.02) = 0.146% HG3 GLU- 56 - HN ASP- 28 14.286% * 0.0396% (0.17 1.0 0.02 0.02) = 0.040% Peak 830 (5.97, 8.29, 117.49 ppm): 1 chemical-shift based assignment, quality = 0.486, support = 3.67, residual support = 37.9: * O HA ASP- 28 - HN ASP- 28 100.000% *100.0000% (0.49 10.0 3.67 37.87) = 100.000% kept Peak 831 (3.66, 8.29, 117.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 832 (2.65, 7.66, 117.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 833 (-0.75, 7.66, 117.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 834 (1.41, 7.75, 117.09 ppm): 13 chemical-shift based assignments, quality = 0.933, support = 2.38, residual support = 5.64: * O QB ALA 37 - HN ALA 37 7.692% * 89.3518% (0.96 10.0 2.46 5.85) = 89.352% kept QG2 THR 38 - HN ALA 37 7.692% * 7.4837% (0.72 1.0 2.23 5.32) = 7.484% kept QB ALA 91 - HN ALA 37 7.692% * 2.5825% (0.80 1.0 0.70 0.73) = 2.583% kept HD3 LYS+ 44 - HN ALA 37 7.692% * 0.0830% (0.89 1.0 0.02 0.02) = 0.083% HG LEU 67 - HN ALA 37 7.692% * 0.0773% (0.83 1.0 0.02 0.02) = 0.077% QB ALA 93 - HN ALA 37 7.692% * 0.0741% (0.80 1.0 0.02 0.02) = 0.074% HG13 ILE 100 - HN ALA 37 7.692% * 0.0741% (0.80 1.0 0.02 0.02) = 0.074% HD3 LYS+ 113 - HN ALA 37 7.692% * 0.0562% (0.60 1.0 0.02 0.02) = 0.056% HG3 LYS+ 55 - HN ALA 37 7.692% * 0.0524% (0.56 1.0 0.02 0.02) = 0.052% HG3 ARG+ 22 - HN ALA 37 7.692% * 0.0524% (0.56 1.0 0.02 0.02) = 0.052% HG3 LYS+ 113 - HN ALA 37 7.692% * 0.0451% (0.48 1.0 0.02 0.02) = 0.045% HD3 LYS+ 20 - HN ALA 37 7.692% * 0.0415% (0.45 1.0 0.02 0.02) = 0.042% HG LEU 90 - HN ALA 37 7.692% * 0.0257% (0.28 1.0 0.02 0.02) = 0.026% Peak 835 (7.76, 7.75, 117.09 ppm): 1 diagonal assignment: * HN ALA 37 - HN ALA 37 (0.94) kept Peak 836 (4.37, 7.75, 117.09 ppm): 10 chemical-shift based assignments, quality = 0.882, support = 2.59, residual support = 5.71: * O HA ALA 37 - HN ALA 37 10.000% * 97.3058% (0.89 10.0 2.65 5.85) = 97.306% kept HA ALA 91 - HN ALA 37 10.000% * 2.0849% (0.64 1.0 0.59 0.73) = 2.085% kept HB THR 61 - HN ALA 37 10.000% * 0.1064% (0.98 1.0 0.02 0.02) = 0.106% HA TRP 51 - HN ALA 37 10.000% * 0.1064% (0.98 1.0 0.02 0.02) = 0.106% HA LYS+ 60 - HN ALA 37 10.000% * 0.1047% (0.96 1.0 0.02 0.02) = 0.105% HA2 GLY 26 - HN ALA 37 10.000% * 0.1002% (0.92 1.0 0.02 0.02) = 0.100% HA SER 27 - HN ALA 37 10.000% * 0.0941% (0.86 1.0 0.02 0.02) = 0.094% HA SER 88 - HN ALA 37 10.000% * 0.0571% (0.52 1.0 0.02 0.02) = 0.057% HA ASN 57 - HN ALA 37 10.000% * 0.0215% (0.20 1.0 0.02 0.02) = 0.021% HA THR 95 - HN ALA 37 10.000% * 0.0190% (0.17 1.0 0.02 0.02) = 0.019% Peak 837 (2.52, 7.75, 117.09 ppm): 4 chemical-shift based assignments, quality = 0.939, support = 3.9, residual support = 20.0: * HB2 ASP- 36 - HN ALA 37 25.000% * 92.4945% (0.99 4.17 21.57) = 92.495% kept HG2 PRO 112 - HN ALA 37 25.000% * 5.8854% (0.31 0.83 0.02) = 5.885% kept HB2 ASP- 115 - HN ALA 37 25.000% * 1.3303% (0.60 0.10 0.02) = 1.330% kept HB3 PRO 59 - HN ALA 37 25.000% * 0.2898% (0.64 0.02 0.02) = 0.290% Peak 838 (8.88, 7.75, 117.09 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 5.56, residual support = 21.6: * T HN ASP- 36 - HN ALA 37 33.333% * 99.9225% (1.00 10.00 5.57 21.57) = 99.923% kept HN ILE 68 - HN ALA 37 33.333% * 0.0526% (0.52 1.00 0.02 0.02) = 0.053% HN GLN 102 - HN ALA 37 33.333% * 0.0249% (0.25 1.00 0.02 0.02) = 0.025% Peak 839 (2.63, 7.75, 117.09 ppm): 6 chemical-shift based assignments, quality = 0.365, support = 2.57, residual support = 17.9: * HB3 ASP- 36 - HN ALA 37 16.667% * 82.6074% (0.37 2.99 21.57) = 82.607% kept HB2 PHE 34 - HN ALA 37 16.667% * 14.0857% (0.28 0.69 0.32) = 14.086% kept HB2 ASP- 25 - HN ALA 37 16.667% * 1.2298% (0.83 0.02 0.02) = 1.230% kept HE3 LYS+ 20 - HN ALA 37 16.667% * 1.0691% (0.72 0.02 0.02) = 1.069% kept HB3 ASP- 82 - HN ALA 37 16.667% * 0.7166% (0.48 0.02 0.02) = 0.717% HG2 MET 118 - HN ALA 37 16.667% * 0.2914% (0.20 0.02 0.02) = 0.291% Peak 840 (1.95, 7.75, 117.09 ppm): 14 chemical-shift based assignments, quality = 0.866, support = 1.94, residual support = 3.11: * HB2 PRO 35 - HN ALA 37 7.143% * 69.7357% (0.96 2.59 4.45) = 69.736% kept HB VAL 13 - HN ALA 37 7.143% * 9.7874% (0.89 0.39 0.02) = 9.787% kept HG2 PRO 112 - HN ALA 37 7.143% * 9.1831% (0.39 0.83 0.02) = 9.183% kept HG3 PRO 116 - HN ALA 37 7.143% * 7.9827% (0.92 0.31 0.02) = 7.983% kept HG3 PRO 31 - HN ALA 37 7.143% * 0.5536% (0.99 0.02 0.02) = 0.554% HB3 LYS+ 55 - HN ALA 37 7.143% * 0.5475% (0.98 0.02 0.02) = 0.548% HB2 GLU- 75 - HN ALA 37 7.143% * 0.4845% (0.86 0.02 0.02) = 0.485% HB3 GLU- 109 - HN ALA 37 7.143% * 0.4473% (0.80 0.02 0.02) = 0.447% HB2 GLU- 10 - HN ALA 37 7.143% * 0.3162% (0.56 0.02 0.02) = 0.316% HB2 PRO 116 - HN ALA 37 7.143% * 0.3162% (0.56 0.02 0.02) = 0.316% HB VAL 73 - HN ALA 37 7.143% * 0.2096% (0.37 0.02 0.02) = 0.210% HG3 PRO 104 - HN ALA 37 7.143% * 0.1724% (0.31 0.02 0.02) = 0.172% HB ILE 29 - HN ALA 37 7.143% * 0.1393% (0.25 0.02 0.02) = 0.139% HB3 GLU- 56 - HN ALA 37 7.143% * 0.1244% (0.22 0.02 0.02) = 0.124% Peak 841 (4.01, 7.75, 117.09 ppm): 4 chemical-shift based assignments, quality = 0.932, support = 1.18, residual support = 4.08: HA THR 38 - HN ALA 37 25.000% * 76.6002% (0.99 1.43 5.32) = 76.600% kept HA VAL 13 - HN ALA 37 25.000% * 19.3018% (0.86 0.41 0.02) = 19.302% kept HA1 GLY 92 - HN ALA 37 25.000% * 3.1299% (0.31 0.19 0.02) = 3.130% kept HB THR 95 - HN ALA 37 25.000% * 0.9682% (0.89 0.02 0.02) = 0.968% Peak 842 (8.25, 8.25, 116.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 843 (4.30, 8.25, 116.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 844 (8.05, 8.04, 116.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 845 (3.19, 8.04, 116.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 846 (8.10, 8.11, 116.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 847 (4.18, 8.11, 116.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 848 (4.41, 8.11, 116.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 849 (4.92, 8.11, 116.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 850 (4.74, 8.11, 116.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 851 (9.07, 9.07, 116.60 ppm): 1 diagonal assignment: * HN GLU- 54 - HN GLU- 54 (0.95) kept Peak 852 (4.23, 9.07, 116.60 ppm): 16 chemical-shift based assignments, quality = 0.937, support = 3.79, residual support = 18.3: * O HA GLU- 54 - HN GLU- 54 6.250% * 99.0912% (0.95 10.0 3.82 18.51) = 99.091% kept HA ALA 42 - HN GLU- 54 6.250% * 0.1024% (0.98 1.0 0.02 0.02) = 0.102% HA SER 49 - HN GLU- 54 6.250% * 0.1006% (0.96 1.0 0.02 0.02) = 0.101% HA GLU- 10 - HN GLU- 54 6.250% * 0.0991% (0.95 1.0 0.02 0.02) = 0.099% HA LYS+ 108 - HN GLU- 54 6.250% * 0.0991% (0.95 1.0 0.02 0.02) = 0.099% HA GLU- 109 - HN GLU- 54 6.250% * 0.0891% (0.85 1.0 0.02 0.02) = 0.089% HA PRO 59 - HN GLU- 54 6.250% * 0.0785% (0.75 1.0 0.02 0.02) = 0.078% HA GLU- 12 - HN GLU- 54 6.250% * 0.0581% (0.55 1.0 0.02 0.02) = 0.058% HA ALA 11 - HN GLU- 54 6.250% * 0.0540% (0.52 1.0 0.02 0.02) = 0.054% HA ASN 76 - HN GLU- 54 6.250% * 0.0460% (0.44 1.0 0.02 0.02) = 0.046% HB3 SER 49 - HN GLU- 54 6.250% * 0.0456% (0.44 1.0 0.02 0.02) = 0.046% HA GLU- 107 - HN GLU- 54 6.250% * 0.0422% (0.40 1.0 0.02 0.02) = 0.042% HA ASN 119 - HN GLU- 54 6.250% * 0.0422% (0.40 1.0 0.02 0.02) = 0.042% HA GLU- 75 - HN GLU- 54 6.250% * 0.0180% (0.17 1.0 0.02 0.02) = 0.018% HA ASP- 82 - HN GLU- 54 6.250% * 0.0180% (0.17 1.0 0.02 0.62) = 0.018% HA GLU- 64 - HN GLU- 54 6.250% * 0.0158% (0.15 1.0 0.02 0.02) = 0.016% Peak 853 (7.81, 9.07, 116.60 ppm): 5 chemical-shift based assignments, quality = 0.961, support = 2.97, residual support = 12.0: * T HN LYS+ 55 - HN GLU- 54 20.000% * 97.6413% (0.97 10.00 3.02 12.25) = 97.641% kept HN LYS+ 63 - HN GLU- 54 20.000% * 2.2369% (0.55 1.00 0.80 0.02) = 2.237% kept HN ALA 93 - HN GLU- 54 20.000% * 0.0753% (0.75 1.00 0.02 0.02) = 0.075% HN VAL 87 - HN GLU- 54 20.000% * 0.0246% (0.24 1.00 0.02 0.02) = 0.025% HN THR 46 - HN GLU- 54 20.000% * 0.0219% (0.22 1.00 0.02 0.02) = 0.022% Peak 854 (2.22, 9.07, 116.60 ppm): 14 chemical-shift based assignments, quality = 0.868, support = 3.19, residual support = 6.73: * HB2 PRO 52 - HN GLU- 54 7.143% * 78.2201% (0.88 3.91 8.58) = 78.220% kept HG2 PRO 112 - HN GLU- 54 7.143% * 16.7166% (0.98 0.75 0.12) = 16.717% kept HG3 GLN 102 - HN GLU- 54 7.143% * 1.7111% (0.95 0.08 0.02) = 1.711% kept HB2 GLU- 50 - HN GLU- 54 7.143% * 0.4448% (0.98 0.02 0.02) = 0.445% HG3 GLU- 18 - HN GLU- 54 7.143% * 0.4448% (0.98 0.02 0.02) = 0.445% HA1 GLY 58 - HN GLU- 54 7.143% * 0.4302% (0.95 0.02 0.02) = 0.430% HG3 MET 97 - HN GLU- 54 7.143% * 0.4302% (0.95 0.02 0.02) = 0.430% HG3 MET 126 - HN GLU- 54 7.143% * 0.3998% (0.88 0.02 0.02) = 0.400% HG3 GLU- 109 - HN GLU- 54 7.143% * 0.3998% (0.88 0.02 0.02) = 0.400% HB3 GLU- 45 - HN GLU- 54 7.143% * 0.2170% (0.48 0.02 0.02) = 0.217% HG3 GLN 16 - HN GLU- 54 7.143% * 0.1833% (0.40 0.02 0.02) = 0.183% HG3 GLU- 10 - HN GLU- 54 7.143% * 0.1673% (0.37 0.02 0.02) = 0.167% HG2 MET 126 - HN GLU- 54 7.143% * 0.1239% (0.27 0.02 0.02) = 0.124% HB3 ASN 15 - HN GLU- 54 7.143% * 0.1112% (0.24 0.02 0.02) = 0.111% Peak 855 (2.05, 9.07, 116.60 ppm): 14 chemical-shift based assignments, quality = 0.304, support = 2.48, residual support = 16.0: * O HB3 GLU- 54 - HN GLU- 54 7.143% * 86.2305% (0.27 10.0 2.80 18.51) = 86.231% kept HG2 PRO 112 - HN GLU- 54 7.143% * 8.0746% (0.68 1.0 0.75 0.12) = 8.075% kept HB ILE 101 - HN GLU- 54 7.143% * 1.6036% (0.40 1.0 0.25 0.02) = 1.604% kept HB VAL 62 - HN GLU- 54 7.143% * 1.4451% (0.52 1.0 0.18 0.02) = 1.445% kept HG3 GLU- 64 - HN GLU- 54 7.143% * 0.8478% (0.30 1.0 0.18 0.02) = 0.848% HB3 GLU- 64 - HN GLU- 54 7.143% * 0.5436% (0.19 1.0 0.18 0.02) = 0.544% HB2 GLU- 45 - HN GLU- 54 7.143% * 0.3074% (0.97 1.0 0.02 0.02) = 0.307% HG3 PRO 86 - HN GLU- 54 7.143% * 0.2934% (0.93 1.0 0.02 0.02) = 0.293% HB3 GLU- 75 - HN GLU- 54 7.143% * 0.2314% (0.73 1.0 0.02 0.02) = 0.231% HB3 LYS+ 110 - HN GLU- 54 7.143% * 0.1881% (0.59 1.0 0.02 0.02) = 0.188% HB3 LYS+ 120 - HN GLU- 54 7.143% * 0.0773% (0.24 1.0 0.02 0.02) = 0.077% HB3 GLU- 10 - HN GLU- 54 7.143% * 0.0614% (0.19 1.0 0.02 0.02) = 0.061% HB3 PRO 31 - HN GLU- 54 7.143% * 0.0479% (0.15 1.0 0.02 0.02) = 0.048% HG2 GLN 16 - HN GLU- 54 7.143% * 0.0479% (0.15 1.0 0.02 0.02) = 0.048% Peak 856 (1.91, 9.07, 116.60 ppm): 13 chemical-shift based assignments, quality = 0.86, support = 3.97, residual support = 26.0: * HB3 ARG+ 53 - HN GLU- 54 7.692% * 81.6157% (0.90 4.77 31.86) = 81.616% kept HB3 CYS 123 - HN GLU- 54 7.692% * 6.5762% (0.78 0.44 0.30) = 6.576% kept HD3 LYS+ 63 - HN GLU- 54 7.692% * 4.8967% (0.90 0.29 0.02) = 4.897% kept HG2 PRO 112 - HN GLU- 54 7.692% * 4.0035% (0.28 0.75 0.12) = 4.003% kept HB3 GLN 102 - HN GLU- 54 7.692% * 1.4712% (0.98 0.08 0.02) = 1.471% kept HB2 PRO 112 - HN GLU- 54 7.692% * 0.3702% (0.98 0.02 0.12) = 0.370% HB2 LEU 23 - HN GLU- 54 7.692% * 0.2547% (0.67 0.02 0.02) = 0.255% HB3 GLN 16 - HN GLU- 54 7.692% * 0.2099% (0.55 0.02 0.02) = 0.210% HG2 GLU- 18 - HN GLU- 54 7.692% * 0.2099% (0.55 0.02 0.02) = 0.210% HB ILE 29 - HN GLU- 54 7.692% * 0.1804% (0.48 0.02 0.02) = 0.180% HB2 GLU- 10 - HN GLU- 54 7.692% * 0.0734% (0.19 0.02 0.02) = 0.073% HB2 PRO 116 - HN GLU- 54 7.692% * 0.0734% (0.19 0.02 0.02) = 0.073% HG3 LYS+ 120 - HN GLU- 54 7.692% * 0.0649% (0.17 0.02 0.02) = 0.065% Peak 857 (4.12, 9.07, 116.60 ppm): 9 chemical-shift based assignments, quality = 0.706, support = 4.51, residual support = 31.1: * O HA ARG+ 53 - HN GLU- 54 11.111% * 97.6633% (0.71 10.0 4.61 31.86) = 97.663% kept HA LYS+ 63 - HN GLU- 54 11.111% * 1.8275% (0.59 1.0 0.45 0.02) = 1.827% kept HA THR 46 - HN GLU- 54 11.111% * 0.1272% (0.93 1.0 0.02 0.02) = 0.127% HB3 SER 49 - HN GLU- 54 11.111% * 0.1202% (0.88 1.0 0.02 0.02) = 0.120% HA ALA 70 - HN GLU- 54 11.111% * 0.0870% (0.63 1.0 0.02 0.02) = 0.087% HA LYS+ 110 - HN GLU- 54 11.111% * 0.0603% (0.44 1.0 0.02 0.02) = 0.060% HA2 GLY 71 - HN GLU- 54 11.111% * 0.0505% (0.37 1.0 0.02 0.02) = 0.050% HA THR 24 - HN GLU- 54 11.111% * 0.0374% (0.27 1.0 0.02 0.02) = 0.037% HB2 SER 88 - HN GLU- 54 11.111% * 0.0266% (0.19 1.0 0.02 0.02) = 0.027% Peak 858 (8.43, 9.07, 116.60 ppm): 4 chemical-shift based assignments, quality = 0.968, support = 4.48, residual support = 22.3: * T HN ARG+ 53 - HN GLU- 54 25.000% * 69.8100% (0.98 10.00 6.06 31.86) = 69.810% kept T HN CYS 123 - HN GLU- 54 25.000% * 29.3974% (0.97 10.00 0.85 0.30) = 29.397% kept HN LEU 74 - HN GLU- 54 25.000% * 0.7473% (0.52 1.00 0.41 0.02) = 0.747% HN LYS+ 117 - HN GLU- 54 25.000% * 0.0453% (0.63 1.00 0.02 0.02) = 0.045% Peak 859 (1.78, 9.07, 116.60 ppm): 10 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 21.2: * HG3 ARG+ 53 - HN GLU- 54 10.000% * 66.5300% (0.95 5.34 31.86) = 66.530% kept HB2 ARG+ 84 - HN GLU- 54 10.000% * 11.2231% (0.98 0.87 0.02) = 11.223% kept HG2 ARG+ 84 - HN GLU- 54 10.000% * 7.9604% (0.97 0.62 0.02) = 7.960% kept HG3 LYS+ 63 - HN GLU- 54 10.000% * 6.2688% (0.85 0.56 0.02) = 6.269% kept HB3 LYS+ 63 - HN GLU- 54 10.000% * 3.6470% (0.44 0.63 0.02) = 3.647% kept HD3 PRO 59 - HN GLU- 54 10.000% * 1.8983% (0.40 0.36 0.02) = 1.898% kept HB2 LEU 17 - HN GLU- 54 10.000% * 1.2280% (0.27 0.34 0.02) = 1.228% kept HG2 PRO 31 - HN GLU- 54 10.000% * 0.8757% (0.82 0.08 0.02) = 0.876% HB3 GLU- 18 - HN GLU- 54 10.000% * 0.2529% (0.96 0.02 0.02) = 0.253% HB3 LYS+ 108 - HN GLU- 54 10.000% * 0.1157% (0.44 0.02 0.02) = 0.116% Peak 860 (4.02, 7.87, 116.41 ppm): 5 chemical-shift based assignments, quality = 0.681, support = 3.98, residual support = 20.2: * O HA THR 38 - HN THR 38 20.000% * 99.2239% (0.69 10.0 4.01 20.35) = 99.224% kept HA VAL 13 - HN THR 38 20.000% * 0.6417% (0.98 1.0 0.09 0.02) = 0.642% HB THR 95 - HN THR 38 20.000% * 0.0703% (0.49 1.0 0.02 0.02) = 0.070% HB3 SER 85 - HN THR 38 20.000% * 0.0402% (0.28 1.0 0.02 0.02) = 0.040% HB3 SER 49 - HN THR 38 20.000% * 0.0239% (0.17 1.0 0.02 0.02) = 0.024% Peak 861 (7.86, 7.87, 116.41 ppm): 1 diagonal assignment: * HN THR 38 - HN THR 38 (0.76) kept Peak 862 (1.41, 7.87, 116.41 ppm): 14 chemical-shift based assignments, quality = 0.769, support = 2.3, residual support = 9.85: * QB ALA 37 - HN THR 38 7.143% * 40.9822% (1.00 2.16 5.32) = 40.982% kept QG2 THR 38 - HN THR 38 7.143% * 37.1338% (0.57 3.45 20.35) = 37.134% kept QB ALA 91 - HN THR 38 7.143% * 11.5255% (0.65 0.94 0.90) = 11.525% kept HG LEU 67 - HN THR 38 7.143% * 7.0794% (0.94 0.39 0.10) = 7.079% kept HD3 LYS+ 44 - HN THR 38 7.143% * 1.1414% (0.76 0.08 0.02) = 1.141% kept HG13 ILE 68 - HN THR 38 7.143% * 0.5269% (0.22 0.12 0.02) = 0.527% QB ALA 93 - HN THR 38 7.143% * 0.3507% (0.92 0.02 0.02) = 0.351% HG13 ILE 100 - HN THR 38 7.143% * 0.3507% (0.92 0.02 0.02) = 0.351% HD3 LYS+ 20 - HN THR 38 7.143% * 0.2304% (0.61 0.02 0.11) = 0.230% HD3 LYS+ 113 - HN THR 38 7.143% * 0.1703% (0.45 0.02 0.02) = 0.170% HG3 LYS+ 55 - HN THR 38 7.143% * 0.1562% (0.41 0.02 0.02) = 0.156% HG3 ARG+ 22 - HN THR 38 7.143% * 0.1562% (0.41 0.02 0.02) = 0.156% HG3 LYS+ 113 - HN THR 38 7.143% * 0.1296% (0.34 0.02 0.02) = 0.130% HG LEU 90 - HN THR 38 7.143% * 0.0665% (0.17 0.02 0.02) = 0.067% Peak 863 (6.61, 7.87, 116.41 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02: HE21 GLN 102 - HN THR 38 100.000% *100.0000% (0.14 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 864 (0.90, 7.87, 116.41 ppm): 10 chemical-shift based assignments, quality = 0.881, support = 0.99, residual support = 0.588: HG3 LYS+ 117 - HN THR 38 10.000% * 32.3538% (0.98 1.38 0.40) = 32.354% kept * QG1 VAL 80 - HN THR 38 10.000% * 22.4942% (0.73 1.30 0.97) = 22.494% kept QG2 VAL 40 - HN THR 38 10.000% * 18.9703% (0.98 0.81 0.90) = 18.970% kept QD1 LEU 67 - HN THR 38 10.000% * 8.8936% (1.00 0.37 0.10) = 8.894% kept QG1 VAL 47 - HN THR 38 10.000% * 7.8930% (1.00 0.33 0.02) = 7.893% kept QG2 VAL 80 - HN THR 38 10.000% * 6.0684% (0.45 0.57 0.97) = 6.068% kept QG2 VAL 87 - HN THR 38 10.000% * 2.1589% (0.98 0.09 0.02) = 2.159% kept HG12 ILE 68 - HN THR 38 10.000% * 0.8261% (0.28 0.12 0.02) = 0.826% QG2 VAL 125 - HN THR 38 10.000% * 0.1790% (0.37 0.02 0.02) = 0.179% HG3 LYS+ 110 - HN THR 38 10.000% * 0.1627% (0.34 0.02 0.02) = 0.163% Peak 865 (4.37, 7.87, 116.41 ppm): 11 chemical-shift based assignments, quality = 0.936, support = 1.81, residual support = 5.23: * O HA ALA 37 - HN THR 38 9.091% * 98.0914% (0.94 10.0 1.84 5.32) = 98.091% kept HA ALA 91 - HN THR 38 9.091% * 1.2358% (0.73 1.0 0.30 0.90) = 1.236% kept HA TRP 51 - HN THR 38 9.091% * 0.1127% (1.00 1.0 0.02 0.02) = 0.113% HA LYS+ 60 - HN THR 38 9.091% * 0.1119% (0.99 1.0 0.02 0.02) = 0.112% HB THR 61 - HN THR 38 9.091% * 0.1068% (0.94 1.0 0.02 0.02) = 0.107% HA SER 27 - HN THR 38 9.091% * 0.1042% (0.92 1.0 0.02 0.02) = 0.104% HA2 GLY 26 - HN THR 38 9.091% * 0.0980% (0.87 1.0 0.02 0.02) = 0.098% HA SER 88 - HN THR 38 9.091% * 0.0685% (0.61 1.0 0.02 0.02) = 0.068% HA ASN 57 - HN THR 38 9.091% * 0.0282% (0.25 1.0 0.02 0.02) = 0.028% HA THR 95 - HN THR 38 9.091% * 0.0251% (0.22 1.0 0.02 0.02) = 0.025% HA PRO 104 - HN THR 38 9.091% * 0.0174% (0.15 1.0 0.02 0.02) = 0.017% Peak 866 (8.57, 7.87, 116.41 ppm): 4 chemical-shift based assignments, quality = 0.838, support = 2.67, residual support = 13.1: * T HN THR 39 - HN THR 38 25.000% * 87.8081% (0.83 10.00 2.85 14.77) = 87.808% kept HN VAL 80 - HN THR 38 25.000% * 8.0275% (0.87 1.00 1.76 0.97) = 8.027% kept HN VAL 73 - HN THR 38 25.000% * 3.7171% (0.96 1.00 0.73 0.38) = 3.717% kept HN LYS+ 20 - HN THR 38 25.000% * 0.4474% (0.25 1.00 0.34 0.11) = 0.447% Peak 867 (2.25, 7.87, 116.41 ppm): 15 chemical-shift based assignments, quality = 0.491, support = 0.308, residual support = 0.476: * HB VAL 80 - HN THR 38 6.667% * 39.1042% (0.45 0.50 0.97) = 39.104% kept HB3 LYS+ 117 - HN THR 38 6.667% * 22.3213% (0.37 0.34 0.40) = 22.321% kept HB3 PRO 112 - HN THR 38 6.667% * 12.1706% (0.27 0.26 0.02) = 12.171% kept HG2 PRO 112 - HN THR 38 6.667% * 3.4526% (0.99 0.02 0.02) = 3.453% kept HB3 ASN 15 - HN THR 38 6.667% * 3.3651% (0.96 0.02 0.02) = 3.365% kept HG3 GLU- 107 - HN THR 38 6.667% * 3.0246% (0.87 0.02 0.02) = 3.025% kept HG3 GLU- 10 - HN THR 38 6.667% * 3.0246% (0.87 0.02 0.02) = 3.025% kept HG3 GLN 16 - HN THR 38 6.667% * 2.9125% (0.83 0.02 0.02) = 2.913% kept HG3 GLU- 54 - HN THR 38 6.667% * 2.7921% (0.80 0.02 0.02) = 2.792% kept HB3 GLU- 45 - HN THR 38 6.667% * 2.6648% (0.76 0.02 0.02) = 2.665% kept HG3 GLU- 75 - HN THR 38 6.667% * 1.3087% (0.37 0.02 0.02) = 1.309% kept HB2 PRO 52 - HN THR 38 6.667% * 1.1894% (0.34 0.02 0.02) = 1.189% kept HG3 GLU- 109 - HN THR 38 6.667% * 1.1894% (0.34 0.02 0.02) = 1.189% kept HG3 GLN 102 - HN THR 38 6.667% * 0.8695% (0.25 0.02 0.02) = 0.869% HG3 GLU- 18 - HN THR 38 6.667% * 0.6107% (0.17 0.02 0.02) = 0.611% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 868 (7.78, 7.79, 116.60 ppm): 1 diagonal assignment: * HN VAL 87 - HN VAL 87 (0.96) kept Peak 869 (0.90, 7.79, 116.60 ppm): 10 chemical-shift based assignments, quality = 0.978, support = 4.35, residual support = 18.6: * QG2 VAL 87 - HN VAL 87 10.000% * 89.3326% (1.00 4.83 20.87) = 89.333% kept QD1 LEU 67 - HN VAL 87 10.000% * 7.7919% (0.94 0.44 0.02) = 7.792% kept QG2 VAL 40 - HN VAL 87 10.000% * 1.4007% (1.00 0.08 0.02) = 1.401% kept QG1 VAL 47 - HN VAL 87 10.000% * 0.3635% (0.98 0.02 0.02) = 0.364% HG3 LYS+ 117 - HN VAL 87 10.000% * 0.3326% (0.90 0.02 0.02) = 0.333% QG1 VAL 80 - HN VAL 87 10.000% * 0.3217% (0.87 0.02 0.02) = 0.322% QG2 VAL 125 - HN VAL 87 10.000% * 0.1951% (0.53 0.02 0.02) = 0.195% QG2 VAL 80 - HN VAL 87 10.000% * 0.1145% (0.31 0.02 0.02) = 0.114% HG3 LYS+ 110 - HN VAL 87 10.000% * 0.0826% (0.22 0.02 0.02) = 0.083% HG12 ILE 68 - HN VAL 87 10.000% * 0.0649% (0.17 0.02 0.02) = 0.065% Peak 870 (4.46, 7.79, 116.60 ppm): 8 chemical-shift based assignments, quality = 0.815, support = 1.28, residual support = 0.306: HA ILE 100 - HN VAL 87 12.500% * 28.8372% (0.92 1.32 0.35) = 28.837% kept HA GLN 102 - HN VAL 87 12.500% * 28.8372% (0.92 1.32 0.35) = 28.837% kept HA MET 126 - HN VAL 87 12.500% * 22.7037% (0.76 1.26 0.28) = 22.704% kept HA LYS+ 32 - HN VAL 87 12.500% * 17.5482% (0.57 1.31 0.21) = 17.548% kept HA MET 118 - HN VAL 87 12.500% * 1.5186% (0.69 0.09 0.02) = 1.519% kept HA GLU- 50 - HN VAL 87 12.500% * 0.4095% (0.87 0.02 0.02) = 0.409% HA SER 77 - HN VAL 87 12.500% * 0.0728% (0.15 0.02 0.02) = 0.073% HA CYS 123 - HN VAL 87 12.500% * 0.0728% (0.15 0.02 0.02) = 0.073% Reference assignment not found: HA PRO 86 - HN VAL 87 Peak 871 (4.15, 7.79, 116.60 ppm): 8 chemical-shift based assignments, quality = 0.902, support = 3.99, residual support = 19.7: * O HA VAL 87 - HN VAL 87 12.500% * 87.7405% (0.90 10.0 4.21 20.87) = 87.740% kept HB2 SER 88 - HN VAL 87 12.500% * 11.8547% (0.98 1.0 2.47 11.74) = 11.855% kept HB3 SER 49 - HN VAL 87 12.500% * 0.0978% (1.00 1.0 0.02 0.02) = 0.098% HA2 GLY 71 - HN VAL 87 12.500% * 0.0817% (0.83 1.0 0.02 0.02) = 0.082% HA LYS+ 110 - HN VAL 87 12.500% * 0.0748% (0.76 1.0 0.02 0.02) = 0.075% HB THR 106 - HN VAL 87 12.500% * 0.0515% (0.53 1.0 0.02 0.02) = 0.051% HA VAL 105 - HN VAL 87 12.500% * 0.0515% (0.53 1.0 0.02 0.02) = 0.051% HA ARG+ 53 - HN VAL 87 12.500% * 0.0476% (0.49 1.0 0.02 0.02) = 0.048% Peak 872 (2.11, 7.79, 116.60 ppm): 14 chemical-shift based assignments, quality = 0.814, support = 3.34, residual support = 20.2: * O HB VAL 87 - HN VAL 87 7.143% * 96.5800% (0.83 10.0 3.43 20.87) = 96.580% kept HG2 GLU- 45 - HN VAL 87 7.143% * 2.2683% (0.37 1.0 1.05 1.57) = 2.268% kept HB2 MET 118 - HN VAL 87 7.143% * 0.3720% (0.69 1.0 0.09 0.02) = 0.372% HB3 LEU 43 - HN VAL 87 7.143% * 0.1133% (0.98 1.0 0.02 0.02) = 0.113% HB3 GLU- 75 - HN VAL 87 7.143% * 0.1131% (0.98 1.0 0.02 0.02) = 0.113% HB VAL 65 - HN VAL 87 7.143% * 0.1003% (0.87 1.0 0.02 0.02) = 0.100% HG2 PRO 112 - HN VAL 87 7.143% * 0.0981% (0.85 1.0 0.02 0.02) = 0.098% HB2 GLU- 56 - HN VAL 87 7.143% * 0.0926% (0.80 1.0 0.02 0.02) = 0.093% HB VAL 105 - HN VAL 87 7.143% * 0.0655% (0.57 1.0 0.02 0.02) = 0.065% HB VAL 125 - HN VAL 87 7.143% * 0.0608% (0.53 1.0 0.02 0.02) = 0.061% HB2 LYS+ 110 - HN VAL 87 7.143% * 0.0518% (0.45 1.0 0.02 0.02) = 0.052% HD3 LYS+ 110 - HN VAL 87 7.143% * 0.0434% (0.37 1.0 0.02 0.02) = 0.043% HG2 GLN 16 - HN VAL 87 7.143% * 0.0229% (0.20 1.0 0.02 0.02) = 0.023% HB2 ASP- 28 - HN VAL 87 7.143% * 0.0178% (0.15 1.0 0.02 0.02) = 0.018% Peak 873 (3.85, 7.79, 116.60 ppm): 10 chemical-shift based assignments, quality = 0.551, support = 2.06, residual support = 9.21: HB3 SER 88 - HN VAL 87 10.000% * 43.2968% (0.69 2.26 11.74) = 43.297% kept * HD3 PRO 86 - HN VAL 87 10.000% * 19.4079% (0.17 3.97 20.31) = 19.408% kept HB2 SER 85 - HN VAL 87 10.000% * 17.6617% (0.65 0.98 0.12) = 17.662% kept HA GLU- 45 - HN VAL 87 10.000% * 10.3246% (0.34 1.08 1.57) = 10.325% kept HA LYS+ 117 - HN VAL 87 10.000% * 7.6309% (0.92 0.30 0.02) = 7.631% kept HD3 PRO 116 - HN VAL 87 10.000% * 0.5820% (0.22 0.09 0.02) = 0.582% HA2 GLY 114 - HN VAL 87 10.000% * 0.3386% (0.61 0.02 0.02) = 0.339% HB3 SER 77 - HN VAL 87 10.000% * 0.3386% (0.61 0.02 0.02) = 0.339% HB3 SER 27 - HN VAL 87 10.000% * 0.2095% (0.37 0.02 0.02) = 0.209% HA2 GLY 92 - HN VAL 87 10.000% * 0.2095% (0.37 0.02 0.02) = 0.209% Peak 874 (8.11, 7.79, 116.60 ppm): 5 chemical-shift based assignments, quality = 0.92, support = 3.27, residual support = 11.7: * T HN SER 88 - HN VAL 87 20.000% * 99.8097% (0.92 10.00 3.27 11.74) = 99.810% kept HN GLY 26 - HN VAL 87 20.000% * 0.0826% (0.76 1.00 0.02 0.02) = 0.083% HN VAL 122 - HN VAL 87 20.000% * 0.0743% (0.69 1.00 0.02 0.02) = 0.074% HN CYS 121 - HN VAL 87 20.000% * 0.0167% (0.15 1.00 0.02 0.02) = 0.017% HN LYS+ 110 - HN VAL 87 20.000% * 0.0167% (0.15 1.00 0.02 0.02) = 0.017% Peak 875 (2.32, 7.79, 116.60 ppm): 6 chemical-shift based assignments, quality = 0.987, support = 3.7, residual support = 20.3: * O HB3 PRO 86 - HN VAL 87 16.667% * 99.6991% (0.99 10.0 3.71 20.31) = 99.699% kept HB2 TYR 83 - HN VAL 87 16.667% * 0.0952% (0.94 1.0 0.02 0.02) = 0.095% HG2 PRO 112 - HN VAL 87 16.667% * 0.0880% (0.87 1.0 0.02 0.02) = 0.088% HG3 GLU- 56 - HN VAL 87 16.667% * 0.0490% (0.49 1.0 0.02 0.02) = 0.049% HG2 GLU- 64 - HN VAL 87 16.667% * 0.0378% (0.37 1.0 0.02 0.02) = 0.038% HB3 PRO 116 - HN VAL 87 16.667% * 0.0310% (0.31 1.0 0.02 0.02) = 0.031% Peak 876 (7.31, 7.66, 116.50 ppm): 7 chemical-shift based assignments, quality = 0.841, support = 3.49, residual support = 10.4: * HN ARG+ 84 - HN TYR 83 14.286% * 65.1737% (0.96 4.79 15.69) = 65.174% kept QD PHE 34 - HN TYR 83 14.286% * 12.8861% (0.90 1.02 0.47) = 12.886% kept QE PHE 34 - HN TYR 83 14.286% * 9.1238% (0.45 1.44 0.47) = 9.124% kept HZ PHE 34 - HN TYR 83 14.286% * 7.0292% (0.45 1.11 0.47) = 7.029% kept HZ2 TRP 51 - HN TYR 83 14.286% * 3.5611% (0.45 0.56 0.02) = 3.561% kept HN ILE 48 - HN TYR 83 14.286% * 1.9594% (0.49 0.29 0.19) = 1.959% kept HN VAL 47 - HN TYR 83 14.286% * 0.2666% (0.94 0.02 0.91) = 0.267% Peak 877 (7.66, 7.66, 116.50 ppm): 1 diagonal assignment: * HN TYR 83 - HN TYR 83 (0.92) kept Peak 878 (2.32, 7.66, 116.50 ppm): 6 chemical-shift based assignments, quality = 0.8, support = 4.53, residual support = 64.2: * O HB2 TYR 83 - HN TYR 83 16.667% * 96.8843% (0.80 10.0 4.66 66.25) = 96.884% kept HG2 PRO 112 - HN TYR 83 16.667% * 2.8324% (0.88 1.0 0.53 0.24) = 2.832% kept HB3 PRO 86 - HN TYR 83 16.667% * 0.1186% (0.98 1.0 0.02 0.02) = 0.119% HG2 GLU- 64 - HN TYR 83 16.667% * 0.0685% (0.57 1.0 0.02 0.02) = 0.069% HB3 PRO 116 - HN TYR 83 16.667% * 0.0589% (0.49 1.0 0.02 0.02) = 0.059% HG3 GLU- 56 - HN TYR 83 16.667% * 0.0373% (0.31 1.0 0.02 0.02) = 0.037% Peak 879 (7.05, 7.66, 116.50 ppm): 2 chemical-shift based assignments, quality = 0.863, support = 5.42, residual support = 66.0: * QD TYR 83 - HN TYR 83 50.000% * 99.6214% (0.87 5.44 66.25) = 99.621% kept QE PHE 21 - HN TYR 83 50.000% * 0.3786% (0.90 0.02 0.02) = 0.379% Peak 880 (3.36, 7.66, 116.50 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 4.66, residual support = 66.2: * O HB3 TYR 83 - HN TYR 83 100.000% *100.0000% (0.76 10.0 4.66 66.25) = 100.000% kept Peak 881 (4.21, 7.66, 116.50 ppm): 9 chemical-shift based assignments, quality = 0.892, support = 4.37, residual support = 17.1: * O HA ASP- 82 - HN TYR 83 11.111% * 99.5662% (0.90 10.0 4.38 17.19) = 99.566% kept HA GLU- 12 - HN TYR 83 11.111% * 0.1050% (0.94 1.0 0.02 0.02) = 0.105% HA GLU- 109 - HN TYR 83 11.111% * 0.0763% (0.69 1.0 0.02 0.02) = 0.076% HB3 SER 49 - HN TYR 83 11.111% * 0.0698% (0.63 1.0 0.02 0.02) = 0.070% HA SER 49 - HN TYR 83 11.111% * 0.0540% (0.49 1.0 0.02 0.02) = 0.054% HA ALA 42 - HN TYR 83 11.111% * 0.0456% (0.41 1.0 0.02 0.02) = 0.046% HA GLU- 10 - HN TYR 83 11.111% * 0.0277% (0.25 1.0 0.02 0.02) = 0.028% HA LYS+ 108 - HN TYR 83 11.111% * 0.0277% (0.25 1.0 0.02 0.02) = 0.028% HA GLU- 54 - HN TYR 83 11.111% * 0.0277% (0.25 1.0 0.02 0.02) = 0.028% Peak 882 (2.16, 7.66, 116.50 ppm): 10 chemical-shift based assignments, quality = 0.758, support = 3.71, residual support = 12.7: * HB2 ASP- 82 - HN TYR 83 10.000% * 73.1893% (0.73 4.91 17.19) = 73.189% kept HG2 PRO 112 - HN TYR 83 10.000% * 10.4383% (0.96 0.53 0.24) = 10.438% kept HB VAL 47 - HN TYR 83 10.000% * 7.7141% (0.69 0.55 0.91) = 7.714% kept HG2 PRO 104 - HN TYR 83 10.000% * 7.4526% (1.00 0.36 0.02) = 7.453% kept HG2 GLN 102 - HN TYR 83 10.000% * 0.3141% (0.76 0.02 0.02) = 0.314% HB3 PRO 104 - HN TYR 83 10.000% * 0.2162% (0.53 0.02 0.02) = 0.216% HB3 LYS+ 78 - HN TYR 83 10.000% * 0.2162% (0.53 0.02 2.49) = 0.216% HB VAL 99 - HN TYR 83 10.000% * 0.2000% (0.49 0.02 0.02) = 0.200% HB3 GLU- 75 - HN TYR 83 10.000% * 0.1959% (0.48 0.02 2.23) = 0.196% HB2 ASP- 28 - HN TYR 83 10.000% * 0.0634% (0.15 0.02 0.02) = 0.063% Peak 883 (2.64, 7.66, 116.50 ppm): 5 chemical-shift based assignments, quality = 0.829, support = 4.25, residual support = 15.8: * HB3 ASP- 82 - HN TYR 83 20.000% * 91.6265% (0.87 4.58 17.19) = 91.626% kept HB2 ASP- 25 - HN TYR 83 20.000% * 7.7605% (0.45 0.75 0.16) = 7.761% kept HB3 ASP- 36 - HN TYR 83 20.000% * 0.3528% (0.76 0.02 0.02) = 0.353% HE3 LYS+ 20 - HN TYR 83 20.000% * 0.1575% (0.34 0.02 0.02) = 0.157% HE2 LYS+ 120 - HN TYR 83 20.000% * 0.1028% (0.22 0.02 0.02) = 0.103% Peak 884 (7.50, 7.66, 116.50 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 0.02, residual support = 0.02: HE3 TRP 51 - HN TYR 83 100.000% *100.0000% (1.00 0.02 0.02) = 100.000% kept Reference assignment not found: HN ASP- 82 - HN TYR 83 Not enough support, support cutoff is 0.28 Peak unassigned. Peak 885 (1.98, 8.30, 116.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 886 (5.28, 8.30, 116.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 887 (7.39, 7.40, 116.14 ppm): 1 diagonal assignment: * HN GLU- 64 - HN GLU- 64 (0.96) kept Peak 888 (2.03, 7.40, 116.14 ppm): 16 chemical-shift based assignments, quality = 0.972, support = 5.77, residual support = 55.6: O HB3 GLU- 64 - HN GLU- 64 6.250% * 75.2659% (0.99 10.0 5.92 57.09) = 75.266% kept * HG3 GLU- 64 - HN GLU- 64 6.250% * 22.0664% (0.99 1.0 5.86 57.09) = 22.066% kept HG2 PRO 112 - HN GLU- 64 6.250% * 2.0157% (0.62 1.0 0.86 0.02) = 2.016% kept HB3 GLU- 54 - HN GLU- 64 6.250% * 0.0758% (0.99 1.0 0.02 0.02) = 0.076% HB3 GLU- 10 - HN GLU- 64 6.250% * 0.0753% (0.99 1.0 0.02 0.02) = 0.075% HB3 PRO 31 - HN GLU- 64 6.250% * 0.0733% (0.96 1.0 0.02 0.02) = 0.073% HB3 GLU- 107 - HN GLU- 64 6.250% * 0.0634% (0.83 1.0 0.02 0.02) = 0.063% HG2 PRO 116 - HN GLU- 64 6.250% * 0.0608% (0.80 1.0 0.02 0.02) = 0.061% HB3 LYS+ 110 - HN GLU- 64 6.250% * 0.0608% (0.80 1.0 0.02 0.02) = 0.061% HB2 GLU- 18 - HN GLU- 64 6.250% * 0.0430% (0.56 1.0 0.02 0.02) = 0.043% HG3 PRO 112 - HN GLU- 64 6.250% * 0.0400% (0.52 1.0 0.02 0.02) = 0.040% HB3 GLU- 75 - HN GLU- 64 6.250% * 0.0370% (0.48 1.0 0.02 0.02) = 0.037% HB3 MET 118 - HN GLU- 64 6.250% * 0.0340% (0.45 1.0 0.02 0.02) = 0.034% HB2 HIS+ 14 - HN GLU- 64 6.250% * 0.0340% (0.45 1.0 0.02 0.02) = 0.034% HG3 PRO 86 - HN GLU- 64 6.250% * 0.0312% (0.41 1.0 0.02 0.02) = 0.031% HB2 GLU- 45 - HN GLU- 64 6.250% * 0.0234% (0.31 1.0 0.02 0.02) = 0.023% Peak 889 (2.30, 7.40, 116.14 ppm): 9 chemical-shift based assignments, quality = 0.96, support = 4.99, residual support = 49.5: * HG2 GLU- 64 - HN GLU- 64 11.111% * 86.7241% (0.98 5.63 57.09) = 86.724% kept HG2 PRO 112 - HN GLU- 64 11.111% * 12.4544% (0.92 0.86 0.02) = 12.454% kept HB3 PRO 116 - HN GLU- 64 11.111% * 0.3134% (0.99 0.02 0.02) = 0.313% HB2 LYS+ 44 - HN GLU- 64 11.111% * 0.1905% (0.60 0.02 0.02) = 0.191% HB3 PRO 86 - HN GLU- 64 11.111% * 0.1071% (0.34 0.02 0.02) = 0.107% HB3 PRO 112 - HN GLU- 64 11.111% * 0.0769% (0.24 0.02 0.02) = 0.077% HB2 TYR 83 - HN GLU- 64 11.111% * 0.0485% (0.15 0.02 0.02) = 0.048% HB3 LYS+ 117 - HN GLU- 64 11.111% * 0.0425% (0.13 0.02 0.02) = 0.043% HG3 GLU- 75 - HN GLU- 64 11.111% * 0.0425% (0.13 0.02 0.02) = 0.043% Peak 890 (7.82, 7.40, 116.14 ppm): 3 chemical-shift based assignments, quality = 0.94, support = 5.71, residual support = 22.8: * T HN LYS+ 63 - HN GLU- 64 33.333% * 99.8914% (0.94 10.00 5.71 22.83) = 99.891% kept HN LYS+ 55 - HN GLU- 64 33.333% * 0.0725% (0.68 1.00 0.02 0.02) = 0.073% HN ALA 93 - HN GLU- 64 33.333% * 0.0360% (0.34 1.00 0.02 0.02) = 0.036% Peak 891 (7.57, 7.40, 116.14 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 4.77, residual support = 26.1: * T HN VAL 65 - HN GLU- 64 25.000% * 98.4116% (1.00 10.00 4.84 26.48) = 98.412% kept HD22 ASN 119 - HN GLU- 64 25.000% * 1.5070% (1.00 1.00 0.31 0.02) = 1.507% kept HN LYS+ 78 - HN GLU- 64 25.000% * 0.0479% (0.48 1.00 0.02 0.02) = 0.048% HD21 ASN 15 - HN GLU- 64 25.000% * 0.0336% (0.34 1.00 0.02 0.02) = 0.034% Peak 892 (4.25, 7.40, 116.14 ppm): 20 chemical-shift based assignments, quality = 0.485, support = 4.94, residual support = 49.1: * O HA GLU- 64 - HN GLU- 64 5.000% * 85.8651% (0.48 10.0 5.55 57.09) = 85.865% kept HA SER 49 - HN GLU- 64 5.000% * 8.6208% (0.64 1.0 1.51 0.82) = 8.621% kept HB3 SER 49 - HN GLU- 64 5.000% * 3.7376% (0.35 1.0 1.19 0.82) = 3.738% kept HA PRO 59 - HN GLU- 64 5.000% * 0.1764% (1.00 1.0 0.02 0.02) = 0.176% HA ALA 11 - HN GLU- 64 5.000% * 0.1628% (0.92 1.0 0.02 0.02) = 0.163% HA GLU- 54 - HN GLU- 64 5.000% * 0.1582% (0.89 1.0 0.02 0.02) = 0.158% HA GLU- 10 - HN GLU- 64 5.000% * 0.1582% (0.89 1.0 0.02 0.02) = 0.158% HA LYS+ 108 - HN GLU- 64 5.000% * 0.1582% (0.89 1.0 0.02 0.02) = 0.158% HA ASN 76 - HN GLU- 64 5.000% * 0.1530% (0.86 1.0 0.02 0.02) = 0.153% HA ASN 119 - HN GLU- 64 5.000% * 0.1473% (0.83 1.0 0.02 0.02) = 0.147% HA GLU- 107 - HN GLU- 64 5.000% * 0.1473% (0.83 1.0 0.02 0.02) = 0.147% HA ALA 42 - HN GLU- 64 5.000% * 0.1281% (0.72 1.0 0.02 0.02) = 0.128% HA GLU- 75 - HN GLU- 64 5.000% * 0.0928% (0.52 1.0 0.02 0.02) = 0.093% HA GLU- 109 - HN GLU- 64 5.000% * 0.0791% (0.45 1.0 0.02 0.02) = 0.079% HA GLU- 56 - HN GLU- 64 5.000% * 0.0602% (0.34 1.0 0.02 0.02) = 0.060% HA GLU- 12 - HN GLU- 64 5.000% * 0.0349% (0.20 1.0 0.02 0.02) = 0.035% HA ARG+ 84 - HN GLU- 64 5.000% * 0.0309% (0.17 1.0 0.02 0.02) = 0.031% HA PRO 52 - HN GLU- 64 5.000% * 0.0309% (0.17 1.0 0.02 0.02) = 0.031% HA SER 85 - HN GLU- 64 5.000% * 0.0309% (0.17 1.0 0.02 0.02) = 0.031% HA VAL 94 - HN GLU- 64 5.000% * 0.0272% (0.15 1.0 0.02 0.02) = 0.027% Peak 893 (1.80, 7.40, 116.14 ppm): 12 chemical-shift based assignments, quality = 0.766, support = 4.48, residual support = 22.5: * HB3 LYS+ 63 - HN GLU- 64 8.333% * 63.4232% (0.92 4.60 22.83) = 63.423% kept HG3 LYS+ 63 - HN GLU- 64 8.333% * 35.0937% (0.52 4.46 22.83) = 35.094% kept HB3 LYS+ 108 - HN GLU- 64 8.333% * 0.2760% (0.92 0.02 0.02) = 0.276% HB2 GLU- 109 - HN GLU- 64 8.333% * 0.2394% (0.80 0.02 0.02) = 0.239% HD3 LYS+ 72 - HN GLU- 64 8.333% * 0.2054% (0.68 0.02 0.02) = 0.205% HG2 PRO 31 - HN GLU- 64 8.333% * 0.1693% (0.56 0.02 0.02) = 0.169% HG3 LYS+ 108 - HN GLU- 64 8.333% * 0.1573% (0.52 0.02 0.02) = 0.157% HD3 LYS+ 117 - HN GLU- 64 8.333% * 0.1455% (0.48 0.02 0.02) = 0.146% HG3 ARG+ 53 - HN GLU- 64 8.333% * 0.1122% (0.37 0.02 0.02) = 0.112% HB2 ARG+ 84 - HN GLU- 64 8.333% * 0.0666% (0.22 0.02 0.02) = 0.067% HG2 ARG+ 84 - HN GLU- 64 8.333% * 0.0592% (0.20 0.02 0.02) = 0.059% HB3 GLU- 18 - HN GLU- 64 8.333% * 0.0524% (0.17 0.02 0.02) = 0.052% Peak 894 (0.70, 7.40, 116.14 ppm): 12 chemical-shift based assignments, quality = 0.921, support = 2.17, residual support = 13.4: QG1 VAL 65 - HN GLU- 64 8.333% * 46.1994% (0.99 2.81 26.48) = 46.199% kept QG2 ILE 48 - HN GLU- 64 8.333% * 33.9640% (0.93 2.19 3.02) = 33.964% kept QG2 ILE 101 - HN GLU- 64 8.333% * 8.9016% (0.99 0.54 0.02) = 8.902% kept QG2 THR 96 - HN GLU- 64 8.333% * 5.6802% (0.98 0.35 0.02) = 5.680% kept QG1 VAL 62 - HN GLU- 64 8.333% * 3.8210% (0.13 1.70 3.42) = 3.821% kept QD1 ILE 68 - HN GLU- 64 8.333% * 0.4146% (0.17 0.14 0.02) = 0.415% QD1 ILE 19 - HN GLU- 64 8.333% * 0.2148% (0.64 0.02 0.02) = 0.215% QG2 VAL 94 - HN GLU- 64 8.333% * 0.1880% (0.56 0.02 0.02) = 0.188% QG2 ILE 68 - HN GLU- 64 8.333% * 0.1880% (0.56 0.02 0.02) = 0.188% HG LEU 74 - HN GLU- 64 8.333% * 0.1880% (0.56 0.02 0.02) = 0.188% HG12 ILE 19 - HN GLU- 64 8.333% * 0.1747% (0.52 0.02 0.02) = 0.175% QG1 VAL 40 - HN GLU- 64 8.333% * 0.0657% (0.20 0.02 0.02) = 0.066% Peak 895 (8.17, 8.17, 116.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 896 (4.36, 8.17, 116.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 897 (7.79, 8.17, 116.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 898 (7.76, 7.76, 116.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 899 (3.73, 7.76, 116.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 900 (2.24, 7.76, 116.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 901 (7.58, 8.26, 116.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 902 (3.88, 8.26, 116.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 903 (7.53, 7.53, 115.71 ppm): 1 diagonal assignment: * HN ASP- 82 - HN ASP- 82 (0.96) kept Peak 904 (2.63, 7.53, 115.71 ppm): 5 chemical-shift based assignments, quality = 0.632, support = 4.67, residual support = 34.7: * O HB3 ASP- 82 - HN ASP- 82 20.000% * 99.6988% (0.63 10.0 4.68 34.80) = 99.699% kept HB2 ASP- 25 - HN ASP- 82 20.000% * 0.1059% (0.67 1.0 0.02 0.02) = 0.106% HE3 LYS+ 20 - HN ASP- 82 20.000% * 0.0873% (0.55 1.0 0.02 0.02) = 0.087% HB3 ASP- 36 - HN ASP- 82 20.000% * 0.0811% (0.52 1.0 0.02 0.02) = 0.081% HB2 PHE 34 - HN ASP- 82 20.000% * 0.0270% (0.17 1.0 0.02 0.02) = 0.027% Peak 905 (2.15, 7.53, 115.71 ppm): 11 chemical-shift based assignments, quality = 0.488, support = 3.12, residual support = 24.0: * O HB2 ASP- 82 - HN ASP- 82 9.091% * 68.1823% (0.30 10.0 4.13 34.80) = 68.182% kept HB VAL 47 - HN ASP- 82 9.091% * 14.4467% (0.97 1.0 1.32 1.25) = 14.447% kept HB3 LYS+ 78 - HN ASP- 82 9.091% * 9.3087% (0.90 1.0 0.91 0.92) = 9.309% kept HG2 PRO 112 - HN ASP- 82 9.091% * 4.9138% (0.93 1.0 0.47 0.02) = 4.914% kept HG2 PRO 104 - HN ASP- 82 9.091% * 1.4849% (0.78 1.0 0.17 0.02) = 1.485% kept HG2 GLN 102 - HN ASP- 82 9.091% * 0.7351% (0.33 1.0 0.20 0.02) = 0.735% HG2 GLU- 45 - HN ASP- 82 9.091% * 0.6178% (0.22 1.0 0.25 0.02) = 0.618% HB3 GLU- 75 - HN ASP- 82 9.091% * 0.1305% (0.58 1.0 0.02 0.02) = 0.130% HB2 ASP- 28 - HN ASP- 82 9.091% * 0.1075% (0.48 1.0 0.02 0.02) = 0.108% HB3 PRO 104 - HN ASP- 82 9.091% * 0.0387% (0.17 1.0 0.02 0.02) = 0.039% HB VAL 99 - HN ASP- 82 9.091% * 0.0341% (0.15 1.0 0.02 0.02) = 0.034% Peak 906 (4.19, 7.53, 115.71 ppm): 7 chemical-shift based assignments, quality = 0.524, support = 3.76, residual support = 31.5: * O HA ASP- 82 - HN ASP- 82 14.286% * 90.3767% (0.52 10.0 4.08 34.80) = 90.377% kept HB3 SER 49 - HN ASP- 82 14.286% * 7.1611% (0.82 1.0 1.00 0.02) = 7.161% kept HB THR 106 - HN ASP- 82 14.286% * 0.8481% (0.22 1.0 0.44 0.69) = 0.848% HA VAL 105 - HN ASP- 82 14.286% * 0.8481% (0.22 1.0 0.44 0.02) = 0.848% HA GLU- 12 - HN ASP- 82 14.286% * 0.4794% (0.15 1.0 0.36 0.10) = 0.479% HA VAL 65 - HN ASP- 82 14.286% * 0.1490% (0.85 1.0 0.02 0.02) = 0.149% HA VAL 73 - HN ASP- 82 14.286% * 0.1375% (0.78 1.0 0.02 0.02) = 0.138% Peak 907 (1.64, 7.53, 115.71 ppm): 13 chemical-shift based assignments, quality = 0.613, support = 1.82, residual support = 2.99: HG2 ARG+ 22 - HN ASP- 82 7.692% * 30.9673% (0.98 1.81 1.65) = 30.967% kept HG3 ARG+ 84 - HN ASP- 82 7.692% * 17.8998% (0.67 1.52 0.32) = 17.900% kept HG LEU 23 - HN ASP- 82 7.692% * 16.0055% (0.52 1.78 2.34) = 16.005% kept HG12 ILE 101 - HN ASP- 82 7.692% * 11.6029% (0.44 1.51 0.52) = 11.603% kept * HB3 LYS+ 81 - HN ASP- 82 7.692% * 11.0984% (0.17 3.70 17.41) = 11.098% kept HG3 LYS+ 78 - HN ASP- 82 7.692% * 5.6212% (0.19 1.66 0.92) = 5.621% kept HB ILE 68 - HN ASP- 82 7.692% * 2.4333% (0.40 0.35 0.02) = 2.433% kept HG LEU 43 - HN ASP- 82 7.692% * 2.3553% (0.40 0.33 0.02) = 2.355% kept HB ILE 100 - HN ASP- 82 7.692% * 1.4970% (0.44 0.20 0.02) = 1.497% kept HB3 LYS+ 66 - HN ASP- 82 7.692% * 0.1666% (0.48 0.02 0.02) = 0.167% HB VAL 122 - HN ASP- 82 7.692% * 0.1407% (0.40 0.02 0.02) = 0.141% HB3 MET 97 - HN ASP- 82 7.692% * 0.1168% (0.33 0.02 0.02) = 0.117% HB3 MET 126 - HN ASP- 82 7.692% * 0.0952% (0.27 0.02 0.02) = 0.095% Peak 908 (8.24, 7.53, 115.71 ppm): 10 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 11.2: * T HN LYS+ 81 - HN ASP- 82 10.000% * 63.1728% (0.96 10.00 4.56 17.41) = 63.173% kept T HN THR 106 - HN ASP- 82 10.000% * 31.3486% (0.71 10.00 1.34 0.69) = 31.349% kept HN GLU- 12 - HN ASP- 82 10.000% * 2.2954% (0.98 1.00 0.71 0.10) = 2.295% kept HN SER 49 - HN ASP- 82 10.000% * 1.8582% (0.78 1.00 0.72 0.02) = 1.858% kept HN ASP- 115 - HN ASP- 82 10.000% * 0.5992% (0.63 1.00 0.29 0.02) = 0.599% HN GLY 58 - HN ASP- 82 10.000% * 0.3459% (0.90 1.00 0.12 0.02) = 0.346% HN VAL 94 - HN ASP- 82 10.000% * 0.2907% (0.27 1.00 0.32 0.02) = 0.291% HN LEU 67 - HN ASP- 82 10.000% * 0.0632% (0.96 1.00 0.02 0.02) = 0.063% HN VAL 105 - HN ASP- 82 10.000% * 0.0161% (0.24 1.00 0.02 0.02) = 0.016% HN ALA 11 - HN ASP- 82 10.000% * 0.0099% (0.15 1.00 0.02 0.02) = 0.010% Peak 909 (9.03, 7.53, 115.71 ppm): 2 chemical-shift based assignments, quality = 0.971, support = 2.54, residual support = 10.5: * T HN THR 79 - HN ASP- 82 50.000% * 99.8992% (0.97 10.00 2.54 10.53) = 99.899% kept HN GLY 30 - HN ASP- 82 50.000% * 0.1008% (0.98 1.00 0.02 0.02) = 0.101% Peak 910 (7.69, 7.53, 115.71 ppm): 2 chemical-shift based assignments, quality = 0.363, support = 4.46, residual support = 16.3: * HN TYR 83 - HN ASP- 82 50.000% * 94.6255% (0.37 4.69 17.19) = 94.626% kept HN VAL 13 - HN ASP- 82 50.000% * 5.3745% (0.27 0.36 0.02) = 5.374% kept Peak 911 (8.11, 8.11, 115.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 912 (4.34, 8.11, 115.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 913 (9.02, 9.03, 115.09 ppm): 1 diagonal assignment: * HN GLY 30 - HN GLY 30 (0.89) kept Peak 914 (4.30, 9.03, 115.09 ppm): 13 chemical-shift based assignments, quality = 0.673, support = 1.96, residual support = 11.1: * O HA ILE 29 - HN GLY 30 7.692% * 96.0595% (0.68 10.0 2.02 11.57) = 96.060% kept HA LEU 90 - HN GLY 30 7.692% * 2.7125% (0.60 1.0 0.64 0.02) = 2.712% kept HA THR 106 - HN GLY 30 7.692% * 0.5067% (0.89 1.0 0.08 0.02) = 0.507% HA ASP- 36 - HN GLY 30 7.692% * 0.1398% (1.00 1.0 0.02 0.02) = 0.140% HA CYS 121 - HN GLY 30 7.692% * 0.1291% (0.92 1.0 0.02 0.02) = 0.129% HB3 CYS 121 - HN GLY 30 7.692% * 0.1120% (0.80 1.0 0.02 0.02) = 0.112% HA VAL 122 - HN GLY 30 7.692% * 0.0736% (0.52 1.0 0.02 0.02) = 0.074% HA ALA 93 - HN GLY 30 7.692% * 0.0681% (0.48 1.0 0.02 0.02) = 0.068% HA VAL 94 - HN GLY 30 7.692% * 0.0477% (0.34 1.0 0.02 0.02) = 0.048% HA PRO 52 - HN GLY 30 7.692% * 0.0432% (0.31 1.0 0.02 0.02) = 0.043% HA ARG+ 84 - HN GLY 30 7.692% * 0.0432% (0.31 1.0 0.02 0.02) = 0.043% HA SER 85 - HN GLY 30 7.692% * 0.0432% (0.31 1.0 0.02 0.02) = 0.043% HA GLU- 56 - HN GLY 30 7.692% * 0.0216% (0.15 1.0 0.02 0.02) = 0.022% Peak 915 (3.47, 9.03, 115.09 ppm): 6 chemical-shift based assignments, quality = 0.51, support = 2.56, residual support = 7.24: * O HA1 GLY 30 - HN GLY 30 16.667% * 60.5381% (0.25 10.0 2.13 8.23) = 60.538% kept HD3 PRO 31 - HN GLY 30 16.667% * 38.2757% (0.94 1.0 3.33 5.90) = 38.276% kept HA VAL 80 - HN GLY 30 16.667% * 0.7329% (0.68 1.0 0.09 0.02) = 0.733% HA1 GLY 71 - HN GLY 30 16.667% * 0.2422% (0.99 1.0 0.02 0.02) = 0.242% HA VAL 40 - HN GLY 30 16.667% * 0.1571% (0.64 1.0 0.02 0.02) = 0.157% HA VAL 62 - HN GLY 30 16.667% * 0.0541% (0.22 1.0 0.02 0.02) = 0.054% Peak 916 (0.94, 9.03, 115.09 ppm): 10 chemical-shift based assignments, quality = 0.894, support = 2.86, residual support = 8.43: * QG2 ILE 29 - HN GLY 30 10.000% * 67.3414% (0.94 3.63 11.57) = 67.341% kept QD1 LEU 17 - HN GLY 30 10.000% * 25.5790% (0.83 1.56 2.50) = 25.579% kept QG1 VAL 105 - HN GLY 30 10.000% * 4.3423% (0.86 0.26 0.02) = 4.342% kept QG2 VAL 105 - HN GLY 30 10.000% * 1.2151% (0.80 0.08 0.02) = 1.215% kept QG2 VAL 62 - HN GLY 30 10.000% * 0.3910% (0.99 0.02 0.02) = 0.391% QG2 VAL 73 - HN GLY 30 10.000% * 0.3781% (0.96 0.02 0.02) = 0.378% QG2 VAL 99 - HN GLY 30 10.000% * 0.2377% (0.60 0.02 0.02) = 0.238% HG12 ILE 68 - HN GLY 30 10.000% * 0.2062% (0.52 0.02 0.02) = 0.206% HG3 LYS+ 110 - HN GLY 30 10.000% * 0.1757% (0.45 0.02 0.02) = 0.176% QG2 VAL 80 - HN GLY 30 10.000% * 0.1337% (0.34 0.02 0.02) = 0.134% Peak 917 (4.71, 9.03, 115.09 ppm): 6 chemical-shift based assignments, quality = 0.932, support = 2.51, residual support = 7.8: * O HA2 GLY 30 - HN GLY 30 16.667% * 94.7461% (0.94 10.0 2.63 8.23) = 94.746% kept HA THR 61 - HN GLY 30 16.667% * 1.9669% (0.99 1.0 0.39 0.02) = 1.967% kept HA LYS+ 20 - HN GLY 30 16.667% * 1.4488% (0.68 1.0 0.42 0.16) = 1.449% kept HA GLN 16 - HN GLY 30 16.667% * 1.2769% (0.83 1.0 0.31 0.02) = 1.277% kept HA THR 39 - HN GLY 30 16.667% * 0.4665% (0.98 1.0 0.10 0.02) = 0.467% HA VAL 99 - HN GLY 30 16.667% * 0.0947% (0.94 1.0 0.02 0.02) = 0.095% Peak 919 (8.81, 9.03, 115.09 ppm): 5 chemical-shift based assignments, quality = 0.635, support = 1.14, residual support = 4.52: HN LYS+ 32 - HN GLY 30 20.000% * 76.4611% (0.72 1.28 5.73) = 76.461% kept HN SER 69 - HN GLY 30 20.000% * 21.0390% (0.34 0.75 0.66) = 21.039% kept HN ASN 57 - HN GLY 30 20.000% * 1.3738% (0.83 0.02 0.02) = 1.374% kept HN LYS+ 60 - HN GLY 30 20.000% * 0.8006% (0.48 0.02 0.02) = 0.801% HN THR 95 - HN GLY 30 20.000% * 0.3255% (0.20 0.02 0.02) = 0.325% Peak 921 (4.06, 8.23, 114.86 ppm): 5 chemical-shift based assignments, quality = 0.816, support = 4.2, residual support = 15.2: O HB2 SER 49 - HN SER 49 20.000% * 69.3393% (0.99 10.0 4.29 15.22) = 69.339% kept * O HB3 SER 49 - HN SER 49 20.000% * 30.4865% (0.43 10.0 4.02 15.22) = 30.486% kept HA VAL 125 - HN SER 49 20.000% * 0.0700% (1.00 1.0 0.02 0.02) = 0.070% HB THR 38 - HN SER 49 20.000% * 0.0675% (0.96 1.0 0.02 0.02) = 0.068% HB3 SER 85 - HN SER 49 20.000% * 0.0368% (0.52 1.0 0.02 0.02) = 0.037% Peak 922 (8.23, 8.23, 114.86 ppm): 1 diagonal assignment: * HN SER 49 - HN SER 49 (0.92) kept Peak 923 (1.72, 8.23, 114.86 ppm): 4 chemical-shift based assignments, quality = 0.517, support = 4.31, residual support = 19.8: * HB ILE 48 - HN SER 49 25.000% * 68.3949% (0.45 5.91 28.94) = 68.395% kept HB2 GLN 16 - HN SER 49 25.000% * 18.3288% (0.94 0.75 0.13) = 18.329% kept HB3 LEU 23 - HN SER 49 25.000% * 9.8074% (0.31 1.23 0.10) = 9.807% kept HB2 LYS+ 117 - HN SER 49 25.000% * 3.4689% (0.28 0.48 0.55) = 3.469% kept Peak 924 (4.22, 8.23, 114.86 ppm): 10 chemical-shift based assignments, quality = 0.65, support = 3.67, residual support = 15.1: * O HA SER 49 - HN SER 49 10.000% * 55.2685% (0.72 10.0 3.45 15.22) = 55.268% kept O HB3 SER 49 - HN SER 49 10.000% * 43.7725% (0.57 10.0 4.02 15.22) = 43.773% kept HA ASP- 82 - HN SER 49 10.000% * 0.6462% (0.68 1.0 0.25 0.02) = 0.646% HA GLU- 12 - HN SER 49 10.000% * 0.0759% (0.99 1.0 0.02 0.02) = 0.076% HA GLU- 109 - HN SER 49 10.000% * 0.0683% (0.89 1.0 0.02 0.02) = 0.068% HA ALA 42 - HN SER 49 10.000% * 0.0492% (0.64 1.0 0.02 0.02) = 0.049% HA LYS+ 108 - HN SER 49 10.000% * 0.0341% (0.45 1.0 0.02 0.02) = 0.034% HA GLU- 10 - HN SER 49 10.000% * 0.0341% (0.45 1.0 0.02 0.02) = 0.034% HA GLU- 54 - HN SER 49 10.000% * 0.0341% (0.45 1.0 0.02 0.02) = 0.034% HA PRO 59 - HN SER 49 10.000% * 0.0169% (0.22 1.0 0.02 0.02) = 0.017% Peak 925 (0.71, 8.23, 114.86 ppm): 14 chemical-shift based assignments, quality = 0.842, support = 4.0, residual support = 20.8: * QG2 ILE 48 - HN SER 49 7.143% * 70.8915% (0.87 5.45 28.94) = 70.892% kept QG1 VAL 65 - HN SER 49 7.143% * 7.8986% (0.80 0.66 0.10) = 7.899% kept HG LEU 74 - HN SER 49 7.143% * 6.3070% (0.86 0.49 0.71) = 6.307% kept QG2 THR 96 - HN SER 49 7.143% * 5.1737% (0.94 0.37 0.02) = 5.174% kept QG2 ILE 101 - HN SER 49 7.143% * 4.6348% (0.93 0.33 2.59) = 4.635% kept QD1 ILE 68 - HN SER 49 7.143% * 2.0168% (0.41 0.33 1.95) = 2.017% kept QG2 ILE 68 - HN SER 49 7.143% * 1.3023% (0.28 0.31 1.95) = 1.302% kept QG2 VAL 65 - HN SER 49 7.143% * 1.2915% (0.34 0.25 0.10) = 1.292% kept QG1 VAL 40 - HN SER 49 7.143% * 0.1334% (0.45 0.02 0.02) = 0.133% QD1 ILE 19 - HN SER 49 7.143% * 0.1015% (0.34 0.02 0.02) = 0.102% QG2 VAL 94 - HN SER 49 7.143% * 0.0828% (0.28 0.02 0.02) = 0.083% HG12 ILE 19 - HN SER 49 7.143% * 0.0742% (0.25 0.02 0.02) = 0.074% HG3 LYS+ 44 - HN SER 49 7.143% * 0.0459% (0.15 0.02 0.02) = 0.046% HG3 LYS+ 66 - HN SER 49 7.143% * 0.0459% (0.15 0.02 0.02) = 0.046% Peak 926 (7.27, 8.23, 114.86 ppm): 1 chemical-shift based assignment, quality = 0.196, support = 5.07, residual support = 28.9: * T HN ILE 48 - HN SER 49 100.000% *100.0000% (0.20 10.00 5.07 28.94) = 100.000% kept Peak 927 (3.96, 8.23, 114.86 ppm): 3 chemical-shift based assignments, quality = 0.484, support = 1.32, residual support = 0.596: HA LEU 74 - HN SER 49 33.333% * 52.4707% (0.45 1.66 0.71) = 52.471% kept HA1 GLY 114 - HN SER 49 33.333% * 41.3042% (0.56 1.04 0.52) = 41.304% kept HA1 GLY 92 - HN SER 49 33.333% * 6.2251% (0.28 0.32 0.19) = 6.225% kept Peak 928 (0.37, 8.23, 114.86 ppm): 2 chemical-shift based assignments, quality = 0.154, support = 5.0, residual support = 28.9: HG12 ILE 48 - HN SER 49 50.000% * 55.9746% (0.15 5.52 28.94) = 55.975% kept * QD1 ILE 48 - HN SER 49 50.000% * 44.0254% (0.15 4.34 28.94) = 44.025% kept Peak 929 (8.16, 8.16, 114.88 ppm): 1 diagonal assignment: * HN SER 41 - HN SER 41 (0.92) kept Peak 930 (3.81, 8.16, 114.88 ppm): 5 chemical-shift based assignments, quality = 0.996, support = 2.85, residual support = 5.25: * O HB3 SER 41 - HN SER 41 20.000% * 99.7010% (1.00 10.0 2.86 5.27) = 99.701% kept HD3 PRO 112 - HN SER 41 20.000% * 0.0943% (0.94 1.0 0.02 0.02) = 0.094% HD3 PRO 86 - HN SER 41 20.000% * 0.0798% (0.80 1.0 0.02 0.02) = 0.080% HD3 PRO 116 - HN SER 41 20.000% * 0.0724% (0.73 1.0 0.02 0.02) = 0.072% HA2 GLY 92 - HN SER 41 20.000% * 0.0525% (0.53 1.0 0.02 0.02) = 0.052% Peak 931 (4.78, 8.16, 114.88 ppm): 2 chemical-shift based assignments, quality = 0.825, support = 0.02, residual support = 0.02: HA ASN 15 - HN SER 41 50.000% * 84.3785% (0.94 0.02 0.02) = 84.379% kept HA LEU 23 - HN SER 41 50.000% * 15.6215% (0.17 0.02 0.02) = 15.621% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 932 (7.72, 8.16, 114.88 ppm): 2 chemical-shift based assignments, quality = 0.895, support = 2.74, residual support = 10.2: * T HN ALA 42 - HN SER 41 50.000% * 99.9279% (0.90 10.00 2.74 10.23) = 99.928% kept HN VAL 13 - HN SER 41 50.000% * 0.0721% (0.65 1.00 0.02 0.02) = 0.072% Peak 933 (8.70, 8.16, 114.88 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 4.13, residual support = 24.5: * T HN VAL 40 - HN SER 41 100.000% *100.0000% (0.76 10.00 4.13 24.52) = 100.000% kept Peak 934 (4.23, 8.16, 114.88 ppm): 15 chemical-shift based assignments, quality = 0.776, support = 1.68, residual support = 5.92: HA ALA 42 - HN SER 41 6.667% * 57.7712% (1.00 2.28 10.23) = 57.771% kept HA ASN 76 - HN SER 41 6.667% * 12.9140% (0.37 1.36 0.02) = 12.914% kept HA ASN 119 - HN SER 41 6.667% * 10.4159% (0.34 1.20 0.02) = 10.416% kept HA GLU- 10 - HN SER 41 6.667% * 8.8844% (0.92 0.38 0.02) = 8.884% kept HA ALA 11 - HN SER 41 6.667% * 5.8480% (0.45 0.51 0.02) = 5.848% kept HA GLU- 12 - HN SER 41 6.667% * 1.3190% (0.65 0.08 0.02) = 1.319% kept HA SER 49 - HN SER 41 6.667% * 0.5061% (1.00 0.02 0.02) = 0.506% HA LYS+ 108 - HN SER 41 6.667% * 0.4682% (0.92 0.02 0.02) = 0.468% HA GLU- 54 - HN SER 41 6.667% * 0.4682% (0.92 0.02 0.02) = 0.468% HA GLU- 109 - HN SER 41 6.667% * 0.4682% (0.92 0.02 0.02) = 0.468% HA PRO 59 - HN SER 41 6.667% * 0.3484% (0.69 0.02 0.02) = 0.348% HB3 SER 49 - HN SER 41 6.667% * 0.2338% (0.46 0.02 0.02) = 0.234% HA GLU- 107 - HN SER 41 6.667% * 0.1730% (0.34 0.02 0.02) = 0.173% HA ASP- 82 - HN SER 41 6.667% * 0.1129% (0.22 0.02 0.02) = 0.113% HA GLU- 75 - HN SER 41 6.667% * 0.0686% (0.14 0.02 0.02) = 0.069% Peak 935 (2.48, 8.16, 114.88 ppm): 6 chemical-shift based assignments, quality = 0.871, support = 3.85, residual support = 23.5: * HB VAL 40 - HN SER 41 16.667% * 95.6569% (0.90 4.01 24.52) = 95.657% kept HG3 GLU- 45 - HN SER 41 16.667% * 3.1822% (0.45 0.27 0.02) = 3.182% kept HG3 MET 118 - HN SER 41 16.667% * 0.4256% (0.80 0.02 0.02) = 0.426% HG3 PRO 35 - HN SER 41 16.667% * 0.4256% (0.80 0.02 0.02) = 0.426% HG2 PRO 112 - HN SER 41 16.667% * 0.2278% (0.43 0.02 0.02) = 0.228% HB3 PRO 59 - HN SER 41 16.667% * 0.0820% (0.15 0.02 0.02) = 0.082% Peak 936 (0.74, 8.16, 114.88 ppm): 8 chemical-shift based assignments, quality = 0.843, support = 3.34, residual support = 22.5: * QG1 VAL 40 - HN SER 41 12.500% * 91.7811% (0.90 3.60 24.52) = 91.781% kept QG2 ILE 101 - HN SER 41 12.500% * 5.4196% (0.39 0.49 0.02) = 5.420% kept HG3 LYS+ 66 - HN SER 41 12.500% * 0.5566% (0.98 0.02 0.02) = 0.557% HG3 LYS+ 44 - HN SER 41 12.500% * 0.5566% (0.98 0.02 0.02) = 0.557% QG2 VAL 65 - HN SER 41 12.500% * 0.5480% (0.96 0.02 0.02) = 0.548% QD1 ILE 68 - HN SER 41 12.500% * 0.5241% (0.92 0.02 0.02) = 0.524% QG2 ILE 48 - HN SER 41 12.500% * 0.3378% (0.59 0.02 0.02) = 0.338% HG LEU 74 - HN SER 41 12.500% * 0.2764% (0.49 0.02 0.02) = 0.276% Peak 937 (1.37, 8.16, 114.88 ppm): 7 chemical-shift based assignments, quality = 0.784, support = 1.81, residual support = 1.4: * QG2 THR 39 - HN SER 41 14.286% * 50.0543% (0.65 3.01 2.74) = 50.054% kept QB ALA 11 - HN SER 41 14.286% * 17.7505% (1.00 0.69 0.02) = 17.751% kept HG2 LYS+ 78 - HN SER 41 14.286% * 17.2893% (0.83 0.80 0.14) = 17.289% kept HB3 LYS+ 20 - HN SER 41 14.286% * 10.0499% (1.00 0.39 0.02) = 10.050% kept HB3 LEU 17 - HN SER 41 14.286% * 4.1787% (0.94 0.17 0.02) = 4.179% kept HG3 LYS+ 81 - HN SER 41 14.286% * 0.4465% (0.87 0.02 0.02) = 0.446% HG13 ILE 68 - HN SER 41 14.286% * 0.2308% (0.45 0.02 0.02) = 0.231% Peak 938 (8.81, 8.82, 115.02 ppm): 1 diagonal assignment: * HN ASN 57 - HN ASN 57 (0.86) kept Peak 940 (4.38, 8.82, 115.02 ppm): 12 chemical-shift based assignments, quality = 0.432, support = 2.98, residual support = 19.0: * O HA ASN 57 - HN ASN 57 8.333% * 98.2527% (0.44 10.0 3.03 19.31) = 98.253% kept HA SER 27 - HN ASN 57 8.333% * 0.2192% (0.98 1.0 0.02 0.02) = 0.219% HA ALA 37 - HN ASN 57 8.333% * 0.2187% (0.98 1.0 0.02 0.02) = 0.219% HA LYS+ 60 - HN ASN 57 8.333% * 0.2115% (0.95 1.0 0.02 0.02) = 0.211% HA TRP 51 - HN ASN 57 8.333% * 0.2073% (0.93 1.0 0.02 0.02) = 0.207% HA ALA 91 - HN ASN 57 8.333% * 0.2023% (0.90 1.0 0.02 0.02) = 0.202% HA SER 88 - HN ASN 57 8.333% * 0.1831% (0.82 1.0 0.02 0.02) = 0.183% HB THR 61 - HN ASN 57 8.333% * 0.1675% (0.75 1.0 0.02 0.02) = 0.167% HA2 GLY 26 - HN ASN 57 8.333% * 0.1418% (0.63 1.0 0.02 0.02) = 0.142% HA THR 95 - HN ASN 57 8.333% * 0.0901% (0.40 1.0 0.02 0.02) = 0.090% HA PRO 104 - HN ASN 57 8.333% * 0.0676% (0.30 1.0 0.02 0.02) = 0.068% HA PRO 112 - HN ASN 57 8.333% * 0.0384% (0.17 1.0 0.02 0.02) = 0.038% Peak 941 (2.11, 8.82, 115.02 ppm): 13 chemical-shift based assignments, quality = 0.919, support = 2.72, residual support = 8.87: * HB2 GLU- 56 - HN ASN 57 7.692% * 79.7594% (0.94 3.32 11.12) = 79.759% kept HB3 GLU- 75 - HN ASN 57 7.692% * 12.2886% (0.95 0.51 0.02) = 12.289% kept HB VAL 87 - HN ASN 57 7.692% * 2.5103% (0.96 0.10 0.02) = 2.510% kept HG2 PRO 112 - HN ASN 57 7.692% * 2.0983% (0.86 0.10 0.02) = 2.098% kept HB VAL 65 - HN ASN 57 7.692% * 1.3488% (0.68 0.08 0.02) = 1.349% kept HB3 LEU 43 - HN ASN 57 7.692% * 0.5033% (0.99 0.02 0.02) = 0.503% HB VAL 105 - HN ASN 57 7.692% * 0.3880% (0.76 0.02 0.02) = 0.388% HG2 GLU- 45 - HN ASN 57 7.692% * 0.2875% (0.56 0.02 0.02) = 0.287% HB2 MET 118 - HN ASN 57 7.692% * 0.2471% (0.48 0.02 0.02) = 0.247% HB VAL 125 - HN ASN 57 7.692% * 0.1732% (0.34 0.02 0.02) = 0.173% HB2 ASP- 28 - HN ASN 57 7.692% * 0.1412% (0.28 0.02 0.02) = 0.141% HB2 LYS+ 110 - HN ASN 57 7.692% * 0.1412% (0.28 0.02 0.02) = 0.141% HD3 LYS+ 110 - HN ASN 57 7.692% * 0.1130% (0.22 0.02 0.02) = 0.113% Peak 942 (2.88, 8.82, 115.02 ppm): 2 chemical-shift based assignments, quality = 0.307, support = 3.83, residual support = 19.3: * O HB3 ASN 57 - HN ASN 57 50.000% * 99.9193% (0.31 10.0 3.84 19.31) = 99.919% kept HE3 LYS+ 81 - HN ASN 57 50.000% * 0.0807% (0.25 1.0 0.02 0.02) = 0.081% Peak 943 (8.23, 8.82, 115.02 ppm): 11 chemical-shift based assignments, quality = 0.886, support = 2.75, residual support = 13.0: * T HN GLY 58 - HN ASN 57 9.091% * 99.3069% (0.89 10.00 2.77 13.11) = 99.307% kept HN SER 49 - HN ASN 57 9.091% * 0.1085% (0.98 1.00 0.02 0.02) = 0.109% HN LYS+ 81 - HN ASN 57 9.091% * 0.0887% (0.80 1.00 0.02 0.02) = 0.089% HN LEU 67 - HN ASN 57 9.091% * 0.0887% (0.80 1.00 0.02 0.02) = 0.089% HN VAL 94 - HN ASN 57 9.091% * 0.0846% (0.76 1.00 0.02 0.02) = 0.085% HN VAL 105 - HN ASN 57 9.091% * 0.0804% (0.72 1.00 0.02 0.02) = 0.080% HN GLU- 12 - HN ASN 57 9.091% * 0.0761% (0.68 1.00 0.02 0.02) = 0.076% HN ALA 11 - HN ASN 57 9.091% * 0.0627% (0.56 1.00 0.02 0.02) = 0.063% HN GLU- 45 - HN ASN 57 9.091% * 0.0539% (0.48 1.00 0.02 0.02) = 0.054% HN THR 106 - HN ASN 57 9.091% * 0.0276% (0.25 1.00 0.02 0.02) = 0.028% HN ASP- 115 - HN ASN 57 9.091% * 0.0219% (0.20 1.00 0.02 0.02) = 0.022% Peak 945 (1.96, 8.82, 115.02 ppm): 15 chemical-shift based assignments, quality = 0.557, support = 2.05, residual support = 5.22: * HB3 GLU- 56 - HN ASN 57 6.667% * 46.4346% (0.45 3.42 11.12) = 46.435% kept HB3 LYS+ 55 - HN ASN 57 6.667% * 30.3597% (0.80 1.25 0.18) = 30.360% kept HB2 GLU- 75 - HN ASN 57 6.667% * 11.0236% (0.60 0.60 0.02) = 11.024% kept HB VAL 73 - HN ASN 57 6.667% * 4.5300% (0.64 0.23 0.02) = 4.530% kept HB2 PRO 86 - HN ASN 57 6.667% * 2.7297% (0.28 0.32 0.02) = 2.730% kept HG2 PRO 112 - HN ASN 57 6.667% * 1.2069% (0.41 0.10 0.02) = 1.207% kept HB VAL 13 - HN ASN 57 6.667% * 0.6060% (1.00 0.02 0.02) = 0.606% HG3 PRO 116 - HN ASN 57 6.667% * 0.6047% (0.99 0.02 0.02) = 0.605% HB2 PRO 35 - HN ASN 57 6.667% * 0.5940% (0.98 0.02 0.02) = 0.594% HB3 GLU- 109 - HN ASN 57 6.667% * 0.5940% (0.98 0.02 0.02) = 0.594% HG3 PRO 31 - HN ASN 57 6.667% * 0.5062% (0.83 0.02 0.02) = 0.506% HG3 PRO 104 - HN ASN 57 6.667% * 0.3431% (0.56 0.02 0.02) = 0.343% HB2 GLU- 10 - HN ASN 57 6.667% * 0.1870% (0.31 0.02 0.02) = 0.187% HB2 PRO 116 - HN ASN 57 6.667% * 0.1870% (0.31 0.02 0.02) = 0.187% HB2 LYS+ 108 - HN ASN 57 6.667% * 0.0935% (0.15 0.02 0.02) = 0.094% Peak 946 (2.32, 8.82, 115.02 ppm): 6 chemical-shift based assignments, quality = 0.384, support = 2.8, residual support = 8.89: * HG3 GLU- 56 - HN ASN 57 16.667% * 79.9031% (0.31 3.46 11.12) = 79.903% kept HG2 GLU- 64 - HN ASN 57 16.667% * 10.3497% (0.56 0.24 0.02) = 10.350% kept HG2 PRO 112 - HN ASN 57 16.667% * 6.3575% (0.88 0.10 0.02) = 6.358% kept HB3 PRO 86 - HN ASN 57 16.667% * 1.4652% (0.98 0.02 0.02) = 1.465% kept HB2 TYR 83 - HN ASN 57 16.667% * 1.1969% (0.80 0.02 0.02) = 1.197% kept HB3 PRO 116 - HN ASN 57 16.667% * 0.7276% (0.48 0.02 0.02) = 0.728% Peak 947 (7.27, 7.30, 114.60 ppm): 1 diagonal assignment: * HN ILE 48 - HN ILE 48 (0.28) kept Peak 948 (0.38, 7.30, 114.60 ppm): 4 chemical-shift based assignments, quality = 0.34, support = 5.52, residual support = 148.7: QD1 ILE 48 - HN ILE 48 25.000% * 50.4741% (0.34 5.59 148.88) = 50.474% kept * HG12 ILE 48 - HN ILE 48 25.000% * 49.3854% (0.34 5.47 148.88) = 49.385% kept HG12 ILE 48 - HZ2 TRP 51 25.000% * 0.1195% (0.04 0.11 0.02) = 0.120% QD1 ILE 48 - HZ2 TRP 51 25.000% * 0.0209% (0.04 0.02 0.02) = 0.021% Peak 949 (1.72, 7.30, 114.60 ppm): 8 chemical-shift based assignments, quality = 0.491, support = 5.86, residual support = 142.2: * O HB ILE 48 - HN ILE 48 12.500% * 95.4974% (0.49 10.0 6.12 148.88) = 95.497% kept HB3 LEU 23 - HN ILE 48 12.500% * 2.4418% (0.34 1.0 0.73 0.33) = 2.442% kept HB2 GLN 16 - HN ILE 48 12.500% * 1.9534% (0.92 1.0 0.22 0.02) = 1.953% kept HB2 LYS+ 117 - HN ILE 48 12.500% * 0.0606% (0.31 1.0 0.02 0.02) = 0.061% HB2 GLN 16 - HZ2 TRP 51 12.500% * 0.0210% (0.11 1.0 0.02 0.30) = 0.021% HB ILE 48 - HZ2 TRP 51 12.500% * 0.0111% (0.06 1.0 0.02 0.02) = 0.011% HB3 LEU 23 - HZ2 TRP 51 12.500% * 0.0077% (0.04 1.0 0.02 31.30) = 0.008% HB2 LYS+ 117 - HZ2 TRP 51 12.500% * 0.0070% (0.04 1.0 0.02 0.02) = 0.007% Peak 950 (1.46, 7.30, 114.60 ppm): 26 chemical-shift based assignments, quality = 0.885, support = 5.79, residual support = 133.7: * HG13 ILE 48 - HN ILE 48 3.846% * 89.2386% (0.96 6.28 148.88) = 89.239% kept HG3 PRO 52 - HZ2 TRP 51 3.846% * 4.5041% (0.09 3.30 19.28) = 4.504% kept HB3 LYS+ 44 - HN ILE 48 3.846% * 3.4572% (0.22 1.06 0.51) = 3.457% kept HG2 PRO 59 - HN ILE 48 3.846% * 1.2975% (1.00 0.09 0.02) = 1.298% kept HG3 LYS+ 60 - HN ILE 48 3.846% * 0.2936% (1.00 0.02 1.86) = 0.294% HG3 PRO 52 - HN ILE 48 3.846% * 0.2356% (0.80 0.02 0.02) = 0.236% HB3 LEU 67 - HN ILE 48 3.846% * 0.2137% (0.73 0.02 0.17) = 0.214% HG LEU 90 - HN ILE 48 3.846% * 0.1548% (0.53 0.02 0.02) = 0.155% HG3 LYS+ 113 - HN ILE 48 3.846% * 0.0908% (0.31 0.02 0.02) = 0.091% HG3 LYS+ 55 - HN ILE 48 3.846% * 0.0734% (0.25 0.02 0.02) = 0.073% HG3 ARG+ 22 - HN ILE 48 3.846% * 0.0734% (0.25 0.02 0.71) = 0.073% HD3 LYS+ 113 - HN ILE 48 3.846% * 0.0655% (0.22 0.02 0.02) = 0.066% QB ALA 70 - HN ILE 48 3.846% * 0.0582% (0.20 0.02 0.02) = 0.058% QG2 THR 38 - HN ILE 48 3.846% * 0.0454% (0.15 0.02 0.02) = 0.045% HG3 LYS+ 60 - HZ2 TRP 51 3.846% * 0.0340% (0.12 0.02 0.02) = 0.034% HG2 PRO 59 - HZ2 TRP 51 3.846% * 0.0340% (0.12 0.02 1.65) = 0.034% HG13 ILE 48 - HZ2 TRP 51 3.846% * 0.0329% (0.11 0.02 0.02) = 0.033% HB3 LEU 67 - HZ2 TRP 51 3.846% * 0.0247% (0.08 0.02 0.02) = 0.025% HG LEU 90 - HZ2 TRP 51 3.846% * 0.0179% (0.06 0.02 0.02) = 0.018% HG3 LYS+ 113 - HZ2 TRP 51 3.846% * 0.0105% (0.04 0.02 0.13) = 0.011% HG3 ARG+ 22 - HZ2 TRP 51 3.846% * 0.0085% (0.03 0.02 0.02) = 0.008% HG3 LYS+ 55 - HZ2 TRP 51 3.846% * 0.0085% (0.03 0.02 0.42) = 0.008% HB3 LYS+ 44 - HZ2 TRP 51 3.846% * 0.0076% (0.03 0.02 0.02) = 0.008% HD3 LYS+ 113 - HZ2 TRP 51 3.846% * 0.0076% (0.03 0.02 0.13) = 0.008% QB ALA 70 - HZ2 TRP 51 3.846% * 0.0067% (0.02 0.02 0.02) = 0.007% QG2 THR 38 - HZ2 TRP 51 3.846% * 0.0053% (0.02 0.02 0.02) = 0.005% Peak 951 (8.23, 7.30, 114.60 ppm): 22 chemical-shift based assignments, quality = 0.839, support = 3.4, residual support = 18.2: * HN SER 49 - HN ILE 48 4.545% * 59.0361% (0.94 5.07 28.94) = 59.036% kept HN GLY 58 - HN ILE 48 4.545% * 12.5527% (0.83 1.22 1.16) = 12.553% kept HN GLU- 45 - HN ILE 48 4.545% * 9.9156% (0.57 1.42 9.31) = 9.916% kept HN LEU 67 - HN ILE 48 4.545% * 7.7726% (0.73 0.87 0.17) = 7.773% kept HN VAL 105 - HN ILE 48 4.545% * 3.4269% (0.80 0.35 0.02) = 3.427% kept HN VAL 94 - HN ILE 48 4.545% * 2.3892% (0.83 0.23 0.02) = 2.389% kept HN ASP- 115 - HN ILE 48 4.545% * 2.2444% (0.15 1.18 0.62) = 2.244% kept HN LYS+ 81 - HN ILE 48 4.545% * 1.8379% (0.73 0.21 0.25) = 1.838% kept HN THR 106 - HN ILE 48 4.545% * 0.3150% (0.20 0.13 0.02) = 0.315% HN ALA 11 - HN ILE 48 4.545% * 0.1594% (0.65 0.02 0.02) = 0.159% HN GLU- 12 - HN ILE 48 4.545% * 0.1494% (0.61 0.02 0.02) = 0.149% HN SER 49 - HZ2 TRP 51 4.545% * 0.0270% (0.11 0.02 0.02) = 0.027% HN GLY 58 - HZ2 TRP 51 4.545% * 0.0238% (0.10 0.02 5.32) = 0.024% HN VAL 94 - HZ2 TRP 51 4.545% * 0.0238% (0.10 0.02 0.02) = 0.024% HN VAL 105 - HZ2 TRP 51 4.545% * 0.0228% (0.09 0.02 0.02) = 0.023% HN LYS+ 81 - HZ2 TRP 51 4.545% * 0.0207% (0.08 0.02 0.02) = 0.021% HN LEU 67 - HZ2 TRP 51 4.545% * 0.0207% (0.08 0.02 0.02) = 0.021% HN ALA 11 - HZ2 TRP 51 4.545% * 0.0184% (0.07 0.02 0.02) = 0.018% HN GLU- 12 - HZ2 TRP 51 4.545% * 0.0173% (0.07 0.02 0.02) = 0.017% HN GLU- 45 - HZ2 TRP 51 4.545% * 0.0161% (0.07 0.02 0.02) = 0.016% HN THR 106 - HZ2 TRP 51 4.545% * 0.0056% (0.02 0.02 0.02) = 0.006% HN ASP- 115 - HZ2 TRP 51 4.545% * 0.0044% (0.02 0.02 0.02) = 0.004% Peak 952 (0.71, 7.30, 114.60 ppm): 28 chemical-shift based assignments, quality = 0.763, support = 5.14, residual support = 110.2: * QG2 ILE 48 - HN ILE 48 3.571% * 73.9012% (0.83 6.68 148.88) = 73.901% kept QG1 VAL 65 - HN ILE 48 3.571% * 9.1523% (0.61 1.13 1.27) = 9.152% kept QG2 THR 96 - HN ILE 48 3.571% * 6.0845% (0.80 0.57 0.02) = 6.085% kept HG3 LYS+ 44 - HN ILE 48 3.571% * 4.8852% (0.28 1.31 0.51) = 4.885% kept HG LEU 74 - HN ILE 48 3.571% * 2.4561% (0.98 0.19 0.02) = 2.456% kept QG2 ILE 101 - HN ILE 48 3.571% * 1.2059% (0.86 0.10 0.14) = 1.206% kept QD1 ILE 68 - HN ILE 48 3.571% * 0.8457% (0.61 0.10 0.02) = 0.846% QG2 VAL 65 - HN ILE 48 3.571% * 0.6204% (0.53 0.09 1.27) = 0.620% QG1 VAL 40 - HN ILE 48 3.571% * 0.1731% (0.65 0.02 0.02) = 0.173% QG2 ILE 48 - HZ2 TRP 51 3.571% * 0.1466% (0.10 0.11 0.02) = 0.147% QD1 ILE 19 - HZ2 TRP 51 3.571% * 0.0962% (0.02 0.31 0.02) = 0.096% HG3 LYS+ 66 - HN ILE 48 3.571% * 0.0744% (0.28 0.02 0.02) = 0.074% QD1 ILE 19 - HN ILE 48 3.571% * 0.0529% (0.20 0.02 0.02) = 0.053% QG2 VAL 94 - HN ILE 48 3.571% * 0.0413% (0.15 0.02 0.02) = 0.041% QG2 ILE 68 - HN ILE 48 3.571% * 0.0413% (0.15 0.02 0.02) = 0.041% HG12 ILE 19 - HN ILE 48 3.571% * 0.0362% (0.14 0.02 0.02) = 0.036% HG LEU 74 - HZ2 TRP 51 3.571% * 0.0303% (0.11 0.02 0.02) = 0.030% QG2 ILE 101 - HZ2 TRP 51 3.571% * 0.0266% (0.10 0.02 7.19) = 0.027% QG2 THR 96 - HZ2 TRP 51 3.571% * 0.0248% (0.09 0.02 0.02) = 0.025% QG1 VAL 40 - HZ2 TRP 51 3.571% * 0.0200% (0.07 0.02 0.80) = 0.020% QG1 VAL 65 - HZ2 TRP 51 3.571% * 0.0188% (0.07 0.02 0.02) = 0.019% QD1 ILE 68 - HZ2 TRP 51 3.571% * 0.0188% (0.07 0.02 0.02) = 0.019% QG2 VAL 65 - HZ2 TRP 51 3.571% * 0.0163% (0.06 0.02 0.02) = 0.016% HG3 LYS+ 44 - HZ2 TRP 51 3.571% * 0.0086% (0.03 0.02 0.02) = 0.009% HG3 LYS+ 66 - HZ2 TRP 51 3.571% * 0.0086% (0.03 0.02 0.02) = 0.009% QG2 ILE 68 - HZ2 TRP 51 3.571% * 0.0048% (0.02 0.02 0.02) = 0.005% QG2 VAL 94 - HZ2 TRP 51 3.571% * 0.0048% (0.02 0.02 0.02) = 0.005% HG12 ILE 19 - HZ2 TRP 51 3.571% * 0.0042% (0.02 0.02 0.02) = 0.004% Peak 953 (3.41, 7.30, 114.60 ppm): 4 chemical-shift based assignments, quality = 0.48, support = 6.19, residual support = 146.1: * O HA ILE 48 - HN ILE 48 25.000% * 98.0014% (0.49 10.0 6.30 148.88) = 98.001% kept HA VAL 62 - HN ILE 48 25.000% * 1.9826% (0.20 1.0 1.00 9.49) = 1.983% kept HA ILE 48 - HZ2 TRP 51 25.000% * 0.0113% (0.06 1.0 0.02 0.02) = 0.011% HA VAL 62 - HZ2 TRP 51 25.000% * 0.0046% (0.02 1.0 0.02 0.02) = 0.005% Peak 954 (2.13, 7.30, 114.60 ppm): 22 chemical-shift based assignments, quality = 0.68, support = 3.61, residual support = 19.3: * HB VAL 47 - HN ILE 48 4.545% * 47.7290% (0.49 5.74 33.51) = 47.729% kept HG2 GLU- 45 - HN ILE 48 4.545% * 35.4123% (0.92 2.25 9.31) = 35.412% kept HB3 GLU- 75 - HN ILE 48 4.545% * 8.5465% (0.79 0.63 0.02) = 8.547% kept HB2 ASP- 28 - HN ILE 48 4.545% * 5.4061% (0.99 0.32 0.02) = 5.406% kept HG2 PRO 112 - HZ2 TRP 51 4.545% * 0.9484% (0.11 0.53 0.82) = 0.948% HB VAL 47 - HZ2 TRP 51 4.545% * 0.4585% (0.06 0.48 4.00) = 0.458% HG2 PRO 112 - HN ILE 48 4.545% * 0.3105% (0.91 0.02 0.02) = 0.310% HB VAL 105 - HN ILE 48 4.545% * 0.2611% (0.76 0.02 0.02) = 0.261% HB3 LYS+ 78 - HN ILE 48 4.545% * 0.2210% (0.65 0.02 0.02) = 0.221% HB2 GLU- 56 - HN ILE 48 4.545% * 0.1797% (0.53 0.02 0.02) = 0.180% HB VAL 87 - HN ILE 48 4.545% * 0.1663% (0.49 0.02 0.02) = 0.166% HB3 LEU 43 - HN ILE 48 4.545% * 0.0950% (0.28 0.02 1.60) = 0.095% HG2 PRO 104 - HN ILE 48 4.545% * 0.0462% (0.14 0.02 0.02) = 0.046% HB2 ASP- 28 - HZ2 TRP 51 4.545% * 0.0392% (0.11 0.02 0.02) = 0.039% HG2 GLU- 45 - HZ2 TRP 51 4.545% * 0.0365% (0.11 0.02 0.02) = 0.036% HB3 GLU- 75 - HZ2 TRP 51 4.545% * 0.0314% (0.09 0.02 0.02) = 0.031% HB VAL 105 - HZ2 TRP 51 4.545% * 0.0302% (0.09 0.02 0.02) = 0.030% HB3 LYS+ 78 - HZ2 TRP 51 4.545% * 0.0256% (0.07 0.02 0.02) = 0.026% HB2 GLU- 56 - HZ2 TRP 51 4.545% * 0.0208% (0.06 0.02 0.19) = 0.021% HB VAL 87 - HZ2 TRP 51 4.545% * 0.0192% (0.06 0.02 0.14) = 0.019% HB3 LEU 43 - HZ2 TRP 51 4.545% * 0.0110% (0.03 0.02 0.02) = 0.011% HG2 PRO 104 - HZ2 TRP 51 4.545% * 0.0054% (0.02 0.02 0.02) = 0.005% Peak 955 (3.84, 7.30, 114.60 ppm): 20 chemical-shift based assignments, quality = 0.405, support = 1.56, residual support = 3.47: * HA GLU- 45 - HN ILE 48 5.000% * 30.6231% (0.25 3.06 9.31) = 30.623% kept HB2 SER 85 - HN ILE 48 5.000% * 28.7400% (0.53 1.36 1.66) = 28.740% kept HA2 GLY 114 - HN ILE 48 5.000% * 15.3952% (0.49 0.79 0.79) = 15.395% kept HB3 SER 88 - HN ILE 48 5.000% * 8.1357% (0.57 0.36 0.02) = 8.136% kept HB3 SER 27 - HN ILE 48 5.000% * 7.7410% (0.28 0.69 0.25) = 7.741% kept HB3 SER 77 - HN ILE 48 5.000% * 7.3124% (0.49 0.37 0.02) = 7.312% kept HA LYS+ 117 - HN ILE 48 5.000% * 0.7861% (0.98 0.02 0.02) = 0.786% HA2 GLY 92 - HN ILE 48 5.000% * 0.3904% (0.49 0.02 0.02) = 0.390% HD3 PRO 116 - HN ILE 48 5.000% * 0.2475% (0.31 0.02 0.02) = 0.248% HD3 PRO 86 - HN ILE 48 5.000% * 0.2000% (0.25 0.02 0.49) = 0.200% HA LYS+ 117 - HZ2 TRP 51 5.000% * 0.0910% (0.11 0.02 0.02) = 0.091% HB3 SER 88 - HZ2 TRP 51 5.000% * 0.0525% (0.07 0.02 0.02) = 0.053% HB2 SER 85 - HZ2 TRP 51 5.000% * 0.0488% (0.06 0.02 0.02) = 0.049% HA2 GLY 92 - HZ2 TRP 51 5.000% * 0.0452% (0.06 0.02 0.02) = 0.045% HA2 GLY 114 - HZ2 TRP 51 5.000% * 0.0452% (0.06 0.02 0.02) = 0.045% HB3 SER 77 - HZ2 TRP 51 5.000% * 0.0452% (0.06 0.02 0.02) = 0.045% HD3 PRO 116 - HZ2 TRP 51 5.000% * 0.0286% (0.04 0.02 0.02) = 0.029% HB3 SER 27 - HZ2 TRP 51 5.000% * 0.0258% (0.03 0.02 0.11) = 0.026% HD3 PRO 86 - HZ2 TRP 51 5.000% * 0.0231% (0.03 0.02 0.02) = 0.023% HA GLU- 45 - HZ2 TRP 51 5.000% * 0.0231% (0.03 0.02 0.02) = 0.023% Peak 956 (0.87, 7.30, 114.60 ppm): 16 chemical-shift based assignments, quality = 0.231, support = 4.41, residual support = 24.3: * QG1 VAL 47 - HN ILE 48 6.250% * 72.3563% (0.20 5.94 33.51) = 72.356% kept QG1 VAL 80 - HN ILE 48 6.250% * 9.5894% (0.57 0.28 0.02) = 9.589% kept QD1 LEU 67 - HN ILE 48 6.250% * 4.5219% (0.15 0.48 0.17) = 4.522% kept QG2 VAL 125 - HZ2 TRP 51 6.250% * 2.7170% (0.10 0.43 0.02) = 2.717% kept QG1 VAL 80 - HZ2 TRP 51 6.250% * 2.3340% (0.07 0.58 0.28) = 2.334% kept QG2 VAL 40 - HZ2 TRP 51 6.250% * 1.8270% (0.03 1.03 0.80) = 1.827% kept QG1 VAL 47 - HZ2 TRP 51 6.250% * 1.5643% (0.02 1.11 4.00) = 1.564% kept QG2 VAL 87 - HN ILE 48 6.250% * 1.3726% (0.25 0.09 0.02) = 1.373% kept QG2 VAL 125 - HN ILE 48 6.250% * 1.1046% (0.90 0.02 0.16) = 1.105% kept QG2 ILE 100 - HN ILE 48 6.250% * 1.0288% (0.83 0.02 0.35) = 1.029% kept QD1 LEU 90 - HN ILE 48 6.250% * 0.9863% (0.80 0.02 0.02) = 0.986% QG2 VAL 40 - HN ILE 48 6.250% * 0.3071% (0.25 0.02 0.02) = 0.307% QG2 ILE 100 - HZ2 TRP 51 6.250% * 0.1191% (0.10 0.02 1.36) = 0.119% QD1 LEU 90 - HZ2 TRP 51 6.250% * 0.1141% (0.09 0.02 0.02) = 0.114% QG2 VAL 87 - HZ2 TRP 51 6.250% * 0.0355% (0.03 0.02 0.14) = 0.036% QD1 LEU 67 - HZ2 TRP 51 6.250% * 0.0220% (0.02 0.02 0.02) = 0.022% Peak 957 (8.11, 8.11, 114.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 958 (4.36, 8.11, 114.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 959 (2.42, 8.11, 114.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 960 (2.89, 7.63, 113.99 ppm): 5 chemical-shift based assignments, quality = 0.753, support = 1.86, residual support = 19.3: * O HB3 ASN 57 - HD21 ASN 57 20.000% * 99.7865% (0.75 10.0 1.87 19.31) = 99.786% kept HE3 LYS+ 81 - HD21 ASN 57 20.000% * 0.0979% (0.69 1.0 0.02 0.02) = 0.098% HB2 HIS+ 98 - HD21 ASN 57 20.000% * 0.0674% (0.48 1.0 0.02 0.02) = 0.067% HB2 CYS 121 - HD21 ASN 57 20.000% * 0.0285% (0.20 1.0 0.02 0.02) = 0.029% HE3 LYS+ 60 - HD21 ASN 57 20.000% * 0.0198% (0.14 1.0 0.02 0.02) = 0.020% Peak 961 (6.96, 7.62, 113.99 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 1.0, residual support = 19.3: * O T HD22 ASN 57 - HD21 ASN 57 100.000% *100.0000% (0.99 10.0 10.00 1.00 19.31) = 100.000% kept Peak 962 (7.62, 7.62, 113.99 ppm): 1 diagonal assignment: * HD21 ASN 57 - HD21 ASN 57 (1.00) kept Peak 964 (2.90, 6.97, 113.99 ppm): 5 chemical-shift based assignments, quality = 0.912, support = 1.86, residual support = 19.3: * O HB3 ASN 57 - HD22 ASN 57 20.000% * 99.7244% (0.91 10.0 1.87 19.31) = 99.724% kept HE3 LYS+ 81 - HD22 ASN 57 20.000% * 0.1041% (0.89 1.0 0.02 0.02) = 0.104% HB2 HIS+ 98 - HD22 ASN 57 20.000% * 0.0864% (0.74 1.0 0.02 0.02) = 0.086% HB2 CYS 121 - HD22 ASN 57 20.000% * 0.0484% (0.41 1.0 0.02 0.02) = 0.048% HE3 LYS+ 60 - HD22 ASN 57 20.000% * 0.0368% (0.31 1.0 0.02 0.02) = 0.037% Peak 965 (7.62, 6.97, 113.99 ppm): 3 chemical-shift based assignments, quality = 0.995, support = 0.999, residual support = 19.3: * O T HD21 ASN 57 - HD22 ASN 57 33.333% * 99.8786% (1.00 10.0 10.00 1.00 19.31) = 99.879% kept HN ASP- 25 - HD22 ASN 57 33.333% * 0.0727% (0.73 1.0 1.00 0.02 0.02) = 0.073% HD21 ASN 89 - HD22 ASN 57 33.333% * 0.0487% (0.49 1.0 1.00 0.02 0.02) = 0.049% Peak 966 (6.97, 6.97, 113.99 ppm): 1 diagonal assignment: * HD22 ASN 57 - HD22 ASN 57 (1.00) kept Peak 972 (8.27, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 973 (4.32, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 974 (7.61, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 975 (3.65, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 976 (7.58, 7.59, 112.73 ppm): 1 diagonal assignment: * HD21 ASN 15 - HD21 ASN 15 (0.90) kept Peak 977 (4.78, 7.59, 112.73 ppm): 2 chemical-shift based assignments, quality = 0.911, support = 1.23, residual support = 4.7: * HA ASN 15 - HD21 ASN 15 50.000% * 90.7573% (0.98 1.31 5.17) = 90.757% kept HA LEU 23 - HD21 ASN 15 50.000% * 9.2427% (0.27 0.48 0.02) = 9.243% kept Peak 978 (6.89, 7.59, 112.73 ppm): 3 chemical-shift based assignments, quality = 0.941, support = 0.997, residual support = 5.15: * O HD22 ASN 15 - HD21 ASN 15 33.333% * 99.6648% (0.94 10.0 1.00 5.17) = 99.665% kept QD PHE 21 - HD21 ASN 15 33.333% * 0.1852% (0.88 1.0 0.02 0.02) = 0.185% HD21 ASN 119 - HD21 ASN 15 33.333% * 0.1500% (0.71 1.0 0.02 0.95) = 0.150% Peak 979 (2.75, 7.59, 112.73 ppm): 2 chemical-shift based assignments, quality = 0.587, support = 0.398, residual support = 1.95: HB3 ASP- 115 - HD21 ASN 15 50.000% * 97.3213% (0.59 0.41 2.00) = 97.321% kept HB3 PHE 21 - HD21 ASN 15 50.000% * 2.6787% (0.33 0.02 0.02) = 2.679% kept Reference assignment not found: HB3 ASN 15 - HD21 ASN 15 Peak 980 (6.89, 6.89, 112.68 ppm): 1 diagonal assignment: * HD22 ASN 15 - HD22 ASN 15 (0.87) kept Peak 981 (7.59, 6.89, 112.68 ppm): 5 chemical-shift based assignments, quality = 0.817, support = 0.943, residual support = 4.63: * O T HD21 ASN 15 - HD22 ASN 15 20.000% * 87.4412% (0.88 10.0 10.00 1.00 5.17) = 87.441% kept T HD22 ASN 119 - HD22 ASN 15 20.000% * 11.6975% (0.40 1.0 10.00 0.58 0.95) = 11.697% kept HN ASP- 25 - HD22 ASN 15 20.000% * 0.7323% (0.28 1.0 1.00 0.53 0.32) = 0.732% HN LYS+ 78 - HD22 ASN 15 20.000% * 0.0890% (0.90 1.0 1.00 0.02 0.02) = 0.089% HN VAL 65 - HD22 ASN 15 20.000% * 0.0400% (0.40 1.0 1.00 0.02 0.02) = 0.040% Peak 982 (2.79, 6.89, 112.68 ppm): 5 chemical-shift based assignments, quality = 0.812, support = 0.338, residual support = 0.865: HB2 ASN 119 - HD22 ASN 15 20.000% * 90.6981% (0.85 0.37 0.95) = 90.698% kept HA2 GLY 58 - HD22 ASN 15 20.000% * 3.1390% (0.54 0.02 0.02) = 3.139% kept HE3 LYS+ 32 - HD22 ASN 15 20.000% * 2.9301% (0.51 0.02 0.02) = 2.930% kept HE3 LYS+ 111 - HD22 ASN 15 20.000% * 1.9424% (0.34 0.02 0.02) = 1.942% kept HB3 ASN 89 - HD22 ASN 15 20.000% * 1.2905% (0.22 0.02 0.44) = 1.290% kept Reference assignment not found: HB3 ASN 15 - HD22 ASN 15 Peak 983 (4.77, 6.89, 112.68 ppm): 1 chemical-shift based assignment, quality = 0.805, support = 1.31, residual support = 5.17: * HA ASN 15 - HD22 ASN 15 100.000% *100.0000% (0.81 1.31 5.17) = 100.000% kept Peak 986 (8.23, 8.23, 112.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 987 (4.02, 8.23, 112.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 988 (2.78, 7.64, 112.96 ppm): 4 chemical-shift based assignments, quality = 0.938, support = 0.488, residual support = 1.39: HB2 ASN 119 - HD21 ASN 89 25.000% * 92.4613% (0.99 0.52 1.50) = 92.461% kept HE3 LYS+ 32 - HD21 ASN 89 25.000% * 5.6917% (0.31 0.10 0.02) = 5.692% kept HA2 GLY 58 - HD21 ASN 89 25.000% * 1.2204% (0.34 0.02 0.02) = 1.220% kept HE3 LYS+ 111 - HD21 ASN 89 25.000% * 0.6266% (0.18 0.02 0.02) = 0.627% Peak 989 (6.87, 7.64, 112.96 ppm): 4 chemical-shift based assignments, quality = 0.707, support = 0.634, residual support = 0.823: HD21 ASN 119 - HD21 ASN 89 25.000% * 48.1463% (0.80 0.75 1.50) = 48.146% kept QD PHE 21 - HD21 ASN 89 25.000% * 29.7937% (0.61 0.61 0.19) = 29.794% kept HZ PHE 21 - HD21 ASN 89 25.000% * 21.7030% (0.65 0.42 0.19) = 21.703% kept HD22 ASN 15 - HD21 ASN 89 25.000% * 0.3570% (0.22 0.02 0.44) = 0.357% Peak 990 (7.64, 7.64, 112.96 ppm): 1 diagonal assignment: * HD21 ASN 89 - HD21 ASN 89 (1.00) kept Peak 992 (2.79, 7.57, 112.23 ppm): 5 chemical-shift based assignments, quality = 0.919, support = 1.22, residual support = 4.41: O HB2 ASN 119 - HD22 ASN 119 20.000% * 99.6574% (0.92 10.0 1.22 4.43) = 99.657% kept HA2 GLY 58 - HD22 ASN 119 20.000% * 0.1141% (0.65 1.0 0.02 0.02) = 0.114% HE3 LYS+ 32 - HD22 ASN 119 20.000% * 0.1070% (0.61 1.0 0.02 0.02) = 0.107% HE3 LYS+ 111 - HD22 ASN 119 20.000% * 0.0725% (0.41 1.0 0.02 0.02) = 0.072% HB3 ASN 89 - HD22 ASN 119 20.000% * 0.0490% (0.28 1.0 0.02 1.50) = 0.049% Reference assignment not found: HB3 ASN 119 - HD22 ASN 119 Peak 993 (6.88, 7.57, 112.23 ppm): 4 chemical-shift based assignments, quality = 0.989, support = 2.16, residual support = 4.36: * O HD21 ASN 119 - HD22 ASN 119 25.000% * 98.1358% (1.00 10.0 2.20 4.43) = 98.136% kept HD22 ASN 15 - HD22 ASN 119 25.000% * 1.7448% (0.61 1.0 0.58 0.95) = 1.745% kept QD PHE 21 - HD22 ASN 119 25.000% * 0.0949% (0.96 1.0 0.02 0.59) = 0.095% HZ PHE 21 - HD22 ASN 119 25.000% * 0.0245% (0.25 1.0 0.02 0.59) = 0.025% Peak 994 (7.57, 7.57, 112.23 ppm): 1 diagonal assignment: * HD22 ASN 119 - HD22 ASN 119 (1.00) kept Peak 995 (4.68, 7.57, 112.23 ppm): 8 chemical-shift based assignments, quality = 0.463, support = 0.385, residual support = 1.09: HA GLN 16 - HD22 ASN 119 12.500% * 56.1480% (0.53 0.43 1.68) = 56.148% kept * HA LYS+ 120 - HD22 ASN 119 12.500% * 29.0437% (0.25 0.47 0.25) = 29.044% kept HA ASN 89 - HD22 ASN 119 12.500% * 4.6457% (0.94 0.02 1.50) = 4.646% kept HA TYR 83 - HD22 ASN 119 12.500% * 3.7532% (0.76 0.02 0.02) = 3.753% kept HA PRO 35 - HD22 ASN 119 12.500% * 2.5838% (0.53 0.02 0.02) = 2.584% kept HA VAL 99 - HD22 ASN 119 12.500% * 1.8432% (0.37 0.02 0.02) = 1.843% kept HA THR 61 - HD22 ASN 119 12.500% * 1.2246% (0.25 0.02 0.02) = 1.225% kept HA THR 39 - HD22 ASN 119 12.500% * 0.7578% (0.15 0.02 0.02) = 0.758% Peak 996 (7.59, 8.15, 110.39 ppm): 5 chemical-shift based assignments, quality = 0.948, support = 3.94, residual support = 13.9: * T HN LYS+ 78 - HN SER 77 20.000% * 98.2202% (0.96 10.00 4.01 14.12) = 98.220% kept HN ASP- 25 - HN SER 77 20.000% * 1.1525% (0.41 1.00 0.55 0.02) = 1.153% kept HD22 ASN 119 - HN SER 77 20.000% * 0.4908% (0.34 1.00 0.28 0.02) = 0.491% HD21 ASN 15 - HN SER 77 20.000% * 0.1018% (1.00 1.00 0.02 0.02) = 0.102% HN VAL 65 - HN SER 77 20.000% * 0.0347% (0.34 1.00 0.02 0.02) = 0.035% Peak 997 (8.15, 8.15, 110.39 ppm): 1 diagonal assignment: * HN SER 77 - HN SER 77 (0.96) kept Peak 998 (4.49, 8.15, 110.39 ppm): 9 chemical-shift based assignments, quality = 0.93, support = 2.61, residual support = 4.14: * O HA SER 77 - HN SER 77 11.111% * 97.1255% (0.94 10.0 2.67 4.27) = 97.126% kept HB THR 79 - HN SER 77 11.111% * 2.4634% (0.64 1.0 0.74 0.02) = 2.463% kept HA CYS 123 - HN SER 77 11.111% * 0.0971% (0.94 1.0 0.02 0.02) = 0.097% HA LYS+ 32 - HN SER 77 11.111% * 0.0891% (0.86 1.0 0.02 0.02) = 0.089% HA MET 126 - HN SER 77 11.111% * 0.0705% (0.68 1.0 0.02 0.02) = 0.071% HA GLN 102 - HN SER 77 11.111% * 0.0500% (0.48 1.0 0.02 0.02) = 0.050% HA ILE 100 - HN SER 77 11.111% * 0.0500% (0.48 1.0 0.02 0.02) = 0.050% HA LYS+ 55 - HN SER 77 11.111% * 0.0385% (0.37 1.0 0.02 0.02) = 0.039% HB THR 46 - HN SER 77 11.111% * 0.0158% (0.15 1.0 0.02 0.02) = 0.016% Peak 999 (2.83, 8.15, 110.39 ppm): 6 chemical-shift based assignments, quality = 0.785, support = 1.57, residual support = 1.29: * HB3 ASN 76 - HN SER 77 16.667% * 97.0365% (0.80 1.62 1.33) = 97.037% kept HB3 ASN 119 - HN SER 77 16.667% * 1.3401% (0.89 0.02 0.02) = 1.340% kept HB3 ASN 89 - HN SER 77 16.667% * 0.6699% (0.45 0.02 0.02) = 0.670% HE3 LYS+ 111 - HN SER 77 16.667% * 0.4612% (0.31 0.02 0.02) = 0.461% HE3 LYS+ 32 - HN SER 77 16.667% * 0.2617% (0.17 0.02 0.02) = 0.262% HA2 GLY 58 - HN SER 77 16.667% * 0.2306% (0.15 0.02 0.02) = 0.231% Peak 1000 (3.86, 8.15, 110.39 ppm): 10 chemical-shift based assignments, quality = 0.985, support = 1.69, residual support = 4.23: * O HB3 SER 77 - HN SER 77 10.000% * 99.2258% (0.99 10.0 1.71 4.27) = 99.226% kept HA2 GLY 114 - HN SER 77 10.000% * 0.1163% (0.99 1.0 0.02 0.32) = 0.116% HB2 SER 85 - HN SER 77 10.000% * 0.1155% (0.99 1.0 0.02 0.02) = 0.116% HB3 SER 88 - HN SER 77 10.000% * 0.1142% (0.98 1.0 0.02 0.02) = 0.114% HB3 SER 27 - HN SER 77 10.000% * 0.1102% (0.94 1.0 0.02 0.02) = 0.110% HA GLU- 45 - HN SER 77 10.000% * 0.1076% (0.92 1.0 0.02 0.02) = 0.108% HD3 PRO 35 - HN SER 77 10.000% * 0.0660% (0.56 1.0 0.02 0.02) = 0.066% HD2 PRO 116 - HN SER 77 10.000% * 0.0567% (0.48 1.0 0.02 0.02) = 0.057% HD2 PRO 86 - HN SER 77 10.000% * 0.0479% (0.41 1.0 0.02 0.02) = 0.048% HA LYS+ 117 - HN SER 77 10.000% * 0.0398% (0.34 1.0 0.02 0.02) = 0.040% Peak 1001 (4.10, 8.15, 110.39 ppm): 5 chemical-shift based assignments, quality = 0.945, support = 0.486, residual support = 0.27: HA THR 24 - HN SER 77 20.000% * 89.0564% (0.96 0.54 0.29) = 89.056% kept HA LYS+ 63 - HN SER 77 20.000% * 3.2161% (0.94 0.02 0.02) = 3.216% kept HA ALA 70 - HN SER 77 20.000% * 3.1384% (0.92 0.02 0.02) = 3.138% kept HB3 SER 49 - HN SER 77 20.000% * 2.5269% (0.74 0.02 0.31) = 2.527% kept HA THR 46 - HN SER 77 20.000% * 2.0621% (0.60 0.02 0.02) = 2.062% kept Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1002 (2.38, 8.15, 110.39 ppm): 6 chemical-shift based assignments, quality = 0.906, support = 2.75, residual support = 11.6: * HB2 LYS+ 78 - HN SER 77 16.667% * 82.2122% (0.94 3.26 14.12) = 82.212% kept HG2 PRO 112 - HN SER 77 16.667% * 11.0038% (0.73 0.57 0.02) = 11.004% kept HB3 GLU- 50 - HN SER 77 16.667% * 3.3385% (0.98 0.13 0.02) = 3.338% kept HB3 ASP- 28 - HN SER 77 16.667% * 1.7542% (0.76 0.09 0.02) = 1.754% kept HG3 GLU- 50 - HN SER 77 16.667% * 1.5270% (0.45 0.13 0.02) = 1.527% kept HB2 GLU- 64 - HN SER 77 16.667% * 0.1643% (0.31 0.02 0.02) = 0.164% Peak 1003 (2.17, 8.15, 110.39 ppm): 10 chemical-shift based assignments, quality = 0.64, support = 1.66, residual support = 8.03: * HB3 LYS+ 78 - HN SER 77 10.000% * 56.8380% (0.48 2.61 14.12) = 56.838% kept HG2 PRO 112 - HN SER 77 10.000% * 24.3675% (0.96 0.57 0.02) = 24.368% kept HG2 PRO 104 - HN SER 77 10.000% * 11.2386% (0.99 0.25 0.02) = 11.239% kept HB3 GLU- 75 - HN SER 77 10.000% * 4.4820% (0.46 0.21 0.02) = 4.482% kept HG2 GLN 102 - HN SER 77 10.000% * 0.7156% (0.80 0.02 0.02) = 0.716% HB2 ASP- 82 - HN SER 77 10.000% * 0.6830% (0.76 0.02 0.02) = 0.683% HB VAL 47 - HN SER 77 10.000% * 0.5781% (0.64 0.02 0.02) = 0.578% HB3 PRO 104 - HN SER 77 10.000% * 0.5060% (0.56 0.02 0.02) = 0.506% HB VAL 99 - HN SER 77 10.000% * 0.4702% (0.52 0.02 0.02) = 0.470% HG2 MET 126 - HN SER 77 10.000% * 0.1209% (0.13 0.02 0.02) = 0.121% Peak 1004 (6.64, 7.37, 110.39 ppm): 1 chemical-shift based assignment, quality = 0.434, support = 1.46, residual support = 27.6: O T HE21 GLN 102 - HE22 GLN 102 100.000% *100.0000% (0.43 10.0 10.00 1.46 27.58) = 100.000% kept Peak 1007 (7.36, 7.37, 110.39 ppm): 1 diagonal assignment: HE22 GLN 102 - HE22 GLN 102 (0.45) kept Peak 1009 (8.32, 8.32, 110.11 ppm): 1 diagonal assignment: * HN GLY 114 - HN GLY 114 (0.96) kept Peak 1010 (4.25, 8.32, 110.11 ppm): 21 chemical-shift based assignments, quality = 0.776, support = 0.818, residual support = 0.876: HA PRO 59 - HN GLY 114 4.762% * 49.1630% (0.87 1.21 0.99) = 49.163% kept HA ALA 11 - HN GLY 114 4.762% * 29.8927% (0.99 0.65 1.16) = 29.893% kept HA SER 49 - HN GLY 114 4.762% * 4.6919% (0.34 0.29 0.52) = 4.692% kept HA GLU- 56 - HN GLY 114 4.762% * 4.3081% (0.65 0.14 0.02) = 4.308% kept HB3 SER 49 - HN GLY 114 4.762% * 3.4708% (0.30 0.25 0.52) = 3.471% kept HA ASN 76 - HN GLY 114 4.762% * 0.9346% (1.00 0.02 0.02) = 0.935% HA GLU- 107 - HN GLY 114 4.762% * 0.9325% (1.00 0.02 0.02) = 0.933% HA ASN 119 - HN GLY 114 4.762% * 0.9325% (1.00 0.02 0.02) = 0.933% HA GLU- 75 - HN GLY 114 4.762% * 0.7806% (0.83 0.02 0.02) = 0.781% HA GLU- 64 - HN GLY 114 4.762% * 0.7483% (0.80 0.02 0.02) = 0.748% HA GLU- 10 - HN GLY 114 4.762% * 0.5668% (0.61 0.02 0.02) = 0.567% HA LYS+ 108 - HN GLY 114 4.762% * 0.5668% (0.61 0.02 0.02) = 0.567% HA GLU- 54 - HN GLY 114 4.762% * 0.5668% (0.61 0.02 0.02) = 0.567% HA SER 85 - HN GLY 114 4.762% * 0.3842% (0.41 0.02 0.02) = 0.384% HA PRO 52 - HN GLY 114 4.762% * 0.3842% (0.41 0.02 0.02) = 0.384% HA ARG+ 84 - HN GLY 114 4.762% * 0.3842% (0.41 0.02 0.02) = 0.384% HA ALA 42 - HN GLY 114 4.762% * 0.3842% (0.41 0.02 0.02) = 0.384% HA VAL 94 - HN GLY 114 4.762% * 0.3508% (0.37 0.02 0.02) = 0.351% HA VAL 122 - HN GLY 114 4.762% * 0.2081% (0.22 0.02 0.02) = 0.208% HA GLU- 109 - HN GLY 114 4.762% * 0.1850% (0.20 0.02 0.02) = 0.185% HA LEU 90 - HN GLY 114 4.762% * 0.1637% (0.17 0.02 0.02) = 0.164% Peak 1011 (4.78, 8.32, 110.11 ppm): 2 chemical-shift based assignments, quality = 0.907, support = 0.811, residual support = 0.656: HA ASN 15 - HN GLY 114 50.000% * 86.6490% (1.00 0.87 0.75) = 86.649% kept HA LEU 23 - HN GLY 114 50.000% * 13.3510% (0.31 0.43 0.02) = 13.351% kept Peak 1012 (3.89, 8.32, 110.11 ppm): 9 chemical-shift based assignments, quality = 0.398, support = 0.825, residual support = 0.539: O HA2 GLY 114 - HN GLY 114 11.111% * 56.5174% (0.15 10.0 1.00 0.70) = 56.517% kept HD2 PRO 116 - HN GLY 114 11.111% * 21.7975% (0.80 1.0 0.74 0.48) = 21.797% kept HB2 SER 77 - HN GLY 114 11.111% * 12.0539% (0.53 1.0 0.63 0.32) = 12.054% kept HD2 PRO 86 - HN GLY 114 11.111% * 8.4111% (0.87 1.0 0.26 0.02) = 8.411% kept HD3 PRO 35 - HN GLY 114 11.111% * 0.5320% (0.73 1.0 0.02 0.02) = 0.532% HA GLU- 45 - HN GLY 114 11.111% * 0.2499% (0.34 1.0 0.02 0.02) = 0.250% HB3 SER 27 - HN GLY 114 11.111% * 0.2261% (0.31 1.0 0.02 0.02) = 0.226% HB3 SER 77 - HN GLY 114 11.111% * 0.1130% (0.15 1.0 0.02 0.32) = 0.113% HB2 SER 85 - HN GLY 114 11.111% * 0.0991% (0.14 1.0 0.02 0.02) = 0.099% Peak 1013 (4.89, 8.32, 110.11 ppm): 1 chemical-shift based assignment, quality = 0.686, support = 0.02, residual support = 0.02: HA ILE 19 - HN GLY 114 100.000% *100.0000% (0.69 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1014 (8.39, 8.40, 109.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1015 (2.66, 8.40, 109.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1016 (8.47, 8.47, 109.53 ppm): 1 diagonal assignment: * HN GLY 92 - HN GLY 92 (0.98) kept Peak 1017 (4.22, 8.47, 109.53 ppm): 10 chemical-shift based assignments, quality = 0.792, support = 0.999, residual support = 0.25: HA GLU- 12 - HN GLY 92 10.000% * 45.3221% (0.99 1.35 0.33) = 45.322% kept HA ASP- 82 - HN GLY 92 10.000% * 23.4709% (0.76 0.91 0.24) = 23.471% kept HB3 SER 49 - HN GLY 92 10.000% * 13.8030% (0.59 0.69 0.19) = 13.803% kept HA SER 49 - HN GLY 92 10.000% * 8.4519% (0.64 0.39 0.19) = 8.452% kept HA GLU- 10 - HN GLY 92 10.000% * 7.3881% (0.37 0.59 0.02) = 7.388% kept HA GLU- 109 - HN GLY 92 10.000% * 0.5614% (0.83 0.02 0.02) = 0.561% HA ALA 42 - HN GLY 92 10.000% * 0.3805% (0.56 0.02 0.02) = 0.380% HA LYS+ 108 - HN GLY 92 10.000% * 0.2522% (0.37 0.02 0.02) = 0.252% HA GLU- 54 - HN GLY 92 10.000% * 0.2522% (0.37 0.02 0.02) = 0.252% HA PRO 59 - HN GLY 92 10.000% * 0.1177% (0.17 0.02 0.02) = 0.118% Reference assignment not found: HA ALA 91 - HN GLY 92 Peak 1018 (3.81, 8.47, 109.53 ppm): 5 chemical-shift based assignments, quality = 0.481, support = 2.19, residual support = 7.62: * O HA2 GLY 92 - HN GLY 92 20.000% * 99.3035% (0.48 10.0 2.20 7.67) = 99.304% kept HB3 SER 41 - HN GLY 92 20.000% * 0.2036% (0.99 1.0 0.02 0.02) = 0.204% HD3 PRO 112 - HN GLY 92 20.000% * 0.1969% (0.96 1.0 0.02 0.02) = 0.197% HD3 PRO 86 - HN GLY 92 20.000% * 0.1559% (0.76 1.0 0.02 0.02) = 0.156% HD3 PRO 116 - HN GLY 92 20.000% * 0.1401% (0.68 1.0 0.02 0.02) = 0.140% Peak 1019 (3.96, 8.47, 109.53 ppm): 3 chemical-shift based assignments, quality = 0.341, support = 1.68, residual support = 7.18: * O HA1 GLY 92 - HN GLY 92 33.333% * 93.3213% (0.34 10.0 1.73 7.67) = 93.321% kept HA LEU 74 - HN GLY 92 33.333% * 6.5247% (0.37 1.0 1.10 0.25) = 6.525% kept HA1 GLY 114 - HN GLY 92 33.333% * 0.1541% (0.48 1.0 0.02 0.02) = 0.154% Peak 1020 (7.80, 8.47, 109.53 ppm): 5 chemical-shift based assignments, quality = 0.991, support = 2.62, residual support = 12.7: * T HN ALA 93 - HN GLY 92 20.000% * 99.7691% (0.99 10.00 2.63 12.76) = 99.769% kept HN LYS+ 55 - HN GLY 92 20.000% * 0.0801% (0.80 1.00 0.02 0.02) = 0.080% HN VAL 87 - HN GLY 92 20.000% * 0.0687% (0.68 1.00 0.02 0.02) = 0.069% HN THR 46 - HN GLY 92 20.000% * 0.0647% (0.64 1.00 0.02 0.02) = 0.065% HN LYS+ 63 - HN GLY 92 20.000% * 0.0175% (0.17 1.00 0.02 0.02) = 0.018% Peak 1021 (1.36, 8.47, 109.53 ppm): 7 chemical-shift based assignments, quality = 0.905, support = 0.468, residual support = 0.263: HG3 LYS+ 81 - HN GLY 92 14.286% * 32.8082% (0.99 0.61 0.22) = 32.808% kept QB ALA 11 - HN GLY 92 14.286% * 26.0881% (0.86 0.55 0.15) = 26.088% kept HB3 LEU 17 - HN GLY 92 14.286% * 17.4758% (0.99 0.32 0.17) = 17.476% kept HB3 LYS+ 20 - HN GLY 92 14.286% * 15.8594% (0.89 0.33 0.74) = 15.859% kept HG2 LYS+ 78 - HN GLY 92 14.286% * 7.1187% (0.56 0.23 0.02) = 7.119% kept QG2 THR 39 - HN GLY 92 14.286% * 0.4079% (0.37 0.02 0.02) = 0.408% HG13 ILE 68 - HN GLY 92 14.286% * 0.2420% (0.22 0.02 0.02) = 0.242% Reference assignment not found: QB ALA 91 - HN GLY 92 Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1022 (8.29, 8.47, 109.53 ppm): 5 chemical-shift based assignments, quality = 0.896, support = 0.934, residual support = 0.773: * HN ALA 91 - HN GLY 92 20.000% * 70.3127% (0.92 1.18 1.09) = 70.313% kept HN ASP- 28 - HN GLY 92 20.000% * 24.5935% (0.92 0.41 0.02) = 24.594% kept HN ASN 89 - HN GLY 92 20.000% * 4.3622% (0.56 0.12 0.02) = 4.362% kept HN VAL 99 - HN GLY 92 20.000% * 0.5320% (0.41 0.02 0.02) = 0.532% HN ASN 76 - HN GLY 92 20.000% * 0.1997% (0.15 0.02 0.02) = 0.200% Peak 1023 (4.78, 8.47, 109.53 ppm): 2 chemical-shift based assignments, quality = 0.517, support = 0.0957, residual support = 0.02: HA LEU 23 - HN GLY 92 50.000% * 63.6131% (0.25 0.14 0.02) = 63.613% kept HA ASN 15 - HN GLY 92 50.000% * 36.3869% (0.99 0.02 0.02) = 36.387% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1024 (8.16, 8.17, 109.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1025 (4.69, 8.17, 109.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1026 (7.58, 8.17, 109.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1027 (8.12, 8.12, 108.56 ppm): 1 diagonal assignment: * HN GLY 26 - HN GLY 26 (0.94) kept Peak 1028 (4.35, 8.12, 108.56 ppm): 6 chemical-shift based assignments, quality = 0.774, support = 2.54, residual support = 13.3: * O HA2 GLY 26 - HN GLY 26 16.667% * 95.8309% (0.80 10.0 2.55 13.55) = 95.831% kept HA SER 27 - HN GLY 26 16.667% * 3.9471% (0.28 1.0 2.37 6.98) = 3.947% kept HB THR 61 - HN GLY 26 16.667% * 0.0822% (0.68 1.0 0.02 0.02) = 0.082% HA TRP 51 - HN GLY 26 16.667% * 0.0537% (0.45 1.0 0.02 0.02) = 0.054% HA LYS+ 60 - HN GLY 26 16.667% * 0.0492% (0.41 1.0 0.02 0.02) = 0.049% HA ALA 37 - HN GLY 26 16.667% * 0.0369% (0.31 1.0 0.02 0.02) = 0.037% Peak 1029 (3.52, 8.12, 108.56 ppm): 3 chemical-shift based assignments, quality = 0.759, support = 2.44, residual support = 13.5: * O HA1 GLY 26 - HN GLY 26 33.333% * 99.8651% (0.76 10.0 2.44 13.55) = 99.865% kept HA LYS+ 44 - HN GLY 26 33.333% * 0.1172% (0.89 1.0 0.02 0.02) = 0.117% HA1 GLY 30 - HN GLY 26 33.333% * 0.0177% (0.13 1.0 0.02 0.02) = 0.018% Peak 1030 (7.60, 8.12, 108.56 ppm): 4 chemical-shift based assignments, quality = 0.91, support = 3.67, residual support = 9.85: * T HN ASP- 25 - HN GLY 26 25.000% * 99.0834% (0.92 10.00 3.70 9.94) = 99.083% kept T HN LYS+ 78 - HN GLY 26 25.000% * 0.5225% (0.48 10.00 0.02 0.02) = 0.522% HD21 ASN 57 - HN GLY 26 25.000% * 0.3247% (0.52 1.00 0.11 0.02) = 0.325% HD21 ASN 15 - HN GLY 26 25.000% * 0.0694% (0.64 1.00 0.02 0.02) = 0.069% Peak 1031 (7.99, 8.12, 108.56 ppm): 4 chemical-shift based assignments, quality = 0.557, support = 1.55, residual support = 3.6: * HN SER 27 - HN GLY 26 25.000% * 51.4436% (0.28 2.63 6.98) = 51.444% kept HN LEU 43 - HN GLY 26 25.000% * 30.4895% (0.94 0.46 0.02) = 30.490% kept HN MET 126 - HN GLY 26 25.000% * 17.6751% (0.72 0.35 0.02) = 17.675% kept HN LYS+ 111 - HN GLY 26 25.000% * 0.3918% (0.28 0.02 0.02) = 0.392% Peak 1032 (4.58, 8.12, 108.56 ppm): 3 chemical-shift based assignments, quality = 0.444, support = 2.77, residual support = 9.91: * O HA ASP- 25 - HN GLY 26 33.333% * 99.6000% (0.45 10.0 2.78 9.94) = 99.600% kept HA LYS+ 72 - HN GLY 26 33.333% * 0.2144% (0.96 1.0 0.02 0.02) = 0.214% HA LYS+ 78 - HN GLY 26 33.333% * 0.1856% (0.83 1.0 0.02 0.02) = 0.186% Peak 1033 (1.57, 8.12, 108.56 ppm): 10 chemical-shift based assignments, quality = 0.676, support = 1.38, residual support = 0.769: * QG2 THR 24 - HN GLY 26 10.000% * 45.7563% (0.56 2.21 1.66) = 45.756% kept HG12 ILE 29 - HN GLY 26 10.000% * 30.7441% (0.86 0.97 0.02) = 30.744% kept HG13 ILE 29 - HN GLY 26 10.000% * 10.0660% (0.68 0.40 0.02) = 10.066% kept QB ALA 42 - HN GLY 26 10.000% * 9.7223% (0.86 0.31 0.02) = 9.722% kept HD3 LYS+ 81 - HN GLY 26 10.000% * 0.7286% (0.99 0.02 0.02) = 0.729% HD3 LYS+ 60 - HN GLY 26 10.000% * 0.7286% (0.99 0.02 0.02) = 0.729% HG LEU 17 - HN GLY 26 10.000% * 0.7157% (0.98 0.02 0.02) = 0.716% HB ILE 19 - HN GLY 26 10.000% * 0.7047% (0.96 0.02 0.02) = 0.705% HB3 LEU 90 - HN GLY 26 10.000% * 0.5847% (0.80 0.02 0.02) = 0.585% HB3 LYS+ 32 - HN GLY 26 10.000% * 0.2491% (0.34 0.02 0.02) = 0.249% Peak 1034 (4.08, 8.12, 108.56 ppm): 7 chemical-shift based assignments, quality = 0.574, support = 1.44, residual support = 1.18: * HA THR 24 - HN GLY 26 14.286% * 70.9176% (0.56 1.91 1.66) = 70.918% kept HA VAL 125 - HN GLY 26 14.286% * 13.7337% (0.60 0.35 0.02) = 13.734% kept HB2 SER 49 - HN GLY 26 14.286% * 13.3985% (0.68 0.30 0.02) = 13.399% kept HB3 SER 49 - HN GLY 26 14.286% * 0.7428% (0.56 0.02 0.02) = 0.743% HB THR 38 - HN GLY 26 14.286% * 0.5882% (0.45 0.02 0.02) = 0.588% HA LYS+ 63 - HN GLY 26 14.286% * 0.3271% (0.25 0.02 0.02) = 0.327% HA ALA 70 - HN GLY 26 14.286% * 0.2921% (0.22 0.02 0.02) = 0.292% Peak 1035 (7.43, 7.43, 108.50 ppm): 1 diagonal assignment: * HN THR 61 - HN THR 61 (0.96) kept Peak 1036 (8.82, 7.43, 108.50 ppm): 3 chemical-shift based assignments, quality = 0.844, support = 4.0, residual support = 14.0: * T HN LYS+ 60 - HN THR 61 33.333% * 92.6502% (0.83 10.00 4.21 15.13) = 92.650% kept HN LYS+ 32 - HN THR 61 33.333% * 7.2389% (0.98 1.00 1.33 0.40) = 7.239% kept HN ASN 57 - HN THR 61 33.333% * 0.1109% (1.00 1.00 0.02 0.02) = 0.111% Peak 1037 (1.84, 7.43, 108.50 ppm): 12 chemical-shift based assignments, quality = 0.726, support = 3.03, residual support = 8.78: * HB3 LYS+ 60 - HN THR 61 8.333% * 55.6771% (0.73 4.21 15.13) = 55.677% kept HB2 PRO 59 - HN THR 61 8.333% * 30.2329% (0.92 1.80 0.89) = 30.233% kept HD2 PRO 59 - HN THR 61 8.333% * 9.2789% (0.37 1.36 0.89) = 9.279% kept HG2 PRO 112 - HN THR 61 8.333% * 2.0732% (0.16 0.72 0.11) = 2.073% kept HB VAL 94 - HN THR 61 8.333% * 1.3598% (0.41 0.18 0.02) = 1.360% kept HB2 LYS+ 66 - HN THR 61 8.333% * 0.3574% (0.98 0.02 0.02) = 0.357% HB3 LYS+ 72 - HN THR 61 8.333% * 0.2504% (0.69 0.02 0.02) = 0.250% HB2 PRO 104 - HN THR 61 8.333% * 0.2358% (0.65 0.02 0.02) = 0.236% HD3 LYS+ 117 - HN THR 61 8.333% * 0.1775% (0.49 0.02 0.02) = 0.177% HG3 LYS+ 108 - HN THR 61 8.333% * 0.1635% (0.45 0.02 0.02) = 0.163% HD3 LYS+ 72 - HN THR 61 8.333% * 0.1125% (0.31 0.02 0.02) = 0.113% HB2 GLU- 109 - HN THR 61 8.333% * 0.0812% (0.22 0.02 0.02) = 0.081% Peak 1038 (1.10, 7.43, 108.50 ppm): 5 chemical-shift based assignments, quality = 0.732, support = 1.93, residual support = 10.5: * QG2 THR 61 - HN THR 61 20.000% * 58.1065% (0.61 2.65 17.56) = 58.107% kept QG2 THR 79 - HN THR 61 20.000% * 37.0982% (0.99 1.03 0.80) = 37.098% kept QG2 THR 95 - HN THR 61 20.000% * 2.7263% (0.31 0.24 0.02) = 2.726% kept HD3 LYS+ 111 - HN THR 61 20.000% * 1.9572% (0.22 0.24 0.02) = 1.957% kept HG3 LYS+ 32 - HN THR 61 20.000% * 0.1117% (0.15 0.02 0.40) = 0.112% Peak 1039 (2.02, 7.43, 108.50 ppm): 15 chemical-shift based assignments, quality = 0.817, support = 1.02, residual support = 0.923: HB3 GLU- 64 - HN THR 61 6.667% * 33.0800% (0.94 1.55 1.68) = 33.080% kept * HG3 GLU- 64 - HN THR 61 6.667% * 17.4699% (0.83 0.93 1.68) = 17.470% kept HB3 PRO 31 - HN THR 61 6.667% * 16.7982% (0.98 0.76 0.30) = 16.798% kept HG3 PRO 112 - HN THR 61 6.667% * 13.8952% (0.80 0.77 0.11) = 13.895% kept HG2 PRO 112 - HN THR 61 6.667% * 9.7854% (0.60 0.72 0.11) = 9.785% kept HB3 GLU- 75 - HN THR 61 6.667% * 5.8994% (0.42 0.63 0.02) = 5.899% kept HB3 GLU- 107 - HN THR 61 6.667% * 0.4480% (0.99 0.02 0.02) = 0.448% HG2 PRO 116 - HN THR 61 6.667% * 0.4430% (0.98 0.02 0.02) = 0.443% HB3 GLU- 10 - HN THR 61 6.667% * 0.4276% (0.94 0.02 0.02) = 0.428% HB3 GLU- 54 - HN THR 61 6.667% * 0.3921% (0.87 0.02 0.02) = 0.392% HB2 GLU- 18 - HN THR 61 6.667% * 0.3775% (0.83 0.02 0.02) = 0.378% HB2 HIS+ 14 - HN THR 61 6.667% * 0.3282% (0.73 0.02 0.02) = 0.328% HB3 MET 118 - HN THR 61 6.667% * 0.3282% (0.73 0.02 0.02) = 0.328% HB3 LYS+ 110 - HN THR 61 6.667% * 0.2378% (0.53 0.02 0.02) = 0.238% HG3 PRO 86 - HN THR 61 6.667% * 0.0894% (0.20 0.02 0.02) = 0.089% Peak 1040 (4.33, 7.43, 108.50 ppm): 2 chemical-shift based assignments, quality = 0.603, support = 0.02, residual support = 0.093: HA ALA 93 - HN THR 61 50.000% * 58.5270% (0.69 0.02 0.02) = 58.527% kept HA ILE 29 - HN THR 61 50.000% * 41.4730% (0.49 0.02 0.20) = 41.473% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1041 (4.68, 7.43, 108.50 ppm): 8 chemical-shift based assignments, quality = 0.246, support = 3.29, residual support = 17.3: * O HA THR 61 - HN THR 61 12.500% * 98.5997% (0.25 10.0 3.34 17.56) = 98.600% kept HA ASN 89 - HN THR 61 12.500% * 0.3741% (0.94 1.0 0.02 0.02) = 0.374% HA TYR 83 - HN THR 61 12.500% * 0.3022% (0.76 1.0 0.02 0.02) = 0.302% HA PRO 35 - HN THR 61 12.500% * 0.2080% (0.53 1.0 0.02 0.02) = 0.208% HA GLN 16 - HN THR 61 12.500% * 0.2080% (0.53 1.0 0.02 0.02) = 0.208% HA VAL 99 - HN THR 61 12.500% * 0.1484% (0.37 1.0 0.02 0.02) = 0.148% HA LYS+ 120 - HN THR 61 12.500% * 0.0986% (0.25 1.0 0.02 0.02) = 0.099% HA THR 39 - HN THR 61 12.500% * 0.0610% (0.15 1.0 0.02 0.02) = 0.061% Peak 1042 (2.29, 7.43, 108.50 ppm): 9 chemical-shift based assignments, quality = 0.854, support = 0.763, residual support = 0.87: * HG2 GLU- 64 - HN THR 61 11.111% * 49.0732% (0.87 0.89 1.68) = 49.073% kept HG2 PRO 112 - HN THR 61 11.111% * 43.0877% (0.93 0.72 0.11) = 43.088% kept HB VAL 80 - HN THR 61 11.111% * 4.2464% (0.20 0.34 0.02) = 4.246% kept HB3 PRO 116 - HN THR 61 11.111% * 1.1761% (0.92 0.02 0.02) = 1.176% kept HB2 LYS+ 44 - HN THR 61 11.111% * 1.0202% (0.80 0.02 0.02) = 1.020% kept HB3 PRO 112 - HN THR 61 11.111% * 0.5089% (0.40 0.02 0.11) = 0.509% HG3 GLU- 75 - HN THR 61 11.111% * 0.3177% (0.25 0.02 0.02) = 0.318% HB3 LYS+ 117 - HN THR 61 11.111% * 0.3177% (0.25 0.02 0.02) = 0.318% HB3 PRO 86 - HN THR 61 11.111% * 0.2521% (0.20 0.02 0.02) = 0.252% Peak 1043 (1.45, 7.43, 108.50 ppm): 13 chemical-shift based assignments, quality = 0.968, support = 2.47, residual support = 9.22: * HG3 LYS+ 60 - HN THR 61 7.692% * 56.6086% (1.00 3.28 15.13) = 56.609% kept HG2 PRO 59 - HN THR 61 7.692% * 31.1165% (1.00 1.80 0.89) = 31.117% kept HG13 ILE 48 - HN THR 61 7.692% * 9.2169% (0.94 0.56 4.14) = 9.217% kept HG3 LYS+ 113 - HN THR 61 7.692% * 1.4297% (0.34 0.24 0.02) = 1.430% kept HG3 LYS+ 55 - HN THR 61 7.692% * 0.5606% (0.28 0.12 0.02) = 0.561% HG3 PRO 52 - HN THR 61 7.692% * 0.2638% (0.76 0.02 0.02) = 0.264% HB3 LEU 67 - HN THR 61 7.692% * 0.2371% (0.69 0.02 0.02) = 0.237% HG LEU 90 - HN THR 61 7.692% * 0.1955% (0.57 0.02 0.02) = 0.195% HG3 ARG+ 22 - HN THR 61 7.692% * 0.0960% (0.28 0.02 0.02) = 0.096% HD3 LYS+ 113 - HN THR 61 7.692% * 0.0861% (0.25 0.02 0.02) = 0.086% HB3 LYS+ 44 - HN THR 61 7.692% * 0.0683% (0.20 0.02 0.02) = 0.068% QB ALA 70 - HN THR 61 7.692% * 0.0605% (0.17 0.02 0.02) = 0.060% QG2 THR 38 - HN THR 61 7.692% * 0.0605% (0.17 0.02 0.02) = 0.060% Peak 1044 (0.37, 7.43, 108.50 ppm): 2 chemical-shift based assignments, quality = 0.249, support = 1.59, residual support = 4.14: * QD1 ILE 48 - HN THR 61 50.000% * 59.4895% (0.25 1.82 4.14) = 59.489% kept HG12 ILE 48 - HN THR 61 50.000% * 40.5105% (0.25 1.24 4.14) = 40.511% kept Peak 1045 (8.25, 8.25, 108.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1046 (4.27, 8.25, 108.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1047 (4.82, 8.25, 108.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1048 (3.90, 8.25, 108.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1049 (6.81, 8.25, 108.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1050 (9.03, 9.03, 108.30 ppm): 1 diagonal assignment: * HN THR 79 - HN THR 79 (0.92) kept Peak 1051 (4.55, 9.03, 108.30 ppm): 4 chemical-shift based assignments, quality = 0.363, support = 4.18, residual support = 20.7: * O HA LYS+ 78 - HN THR 79 25.000% * 91.4322% (0.31 10.0 4.53 22.64) = 91.432% kept HA LEU 17 - HN THR 79 25.000% * 8.1490% (1.00 1.0 0.55 0.02) = 8.149% kept HA ALA 103 - HN THR 79 25.000% * 0.2151% (0.73 1.0 0.02 0.02) = 0.215% HB THR 46 - HN THR 79 25.000% * 0.2036% (0.14 1.0 0.10 0.02) = 0.204% Peak 1052 (2.14, 9.03, 108.30 ppm): 10 chemical-shift based assignments, quality = 0.874, support = 4.09, residual support = 19.9: * HB3 LYS+ 78 - HN THR 79 10.000% * 87.9220% (0.90 4.61 22.64) = 87.922% kept HB VAL 47 - HN THR 79 10.000% * 6.8704% (0.76 0.42 0.02) = 6.870% kept HB2 ASP- 28 - HN THR 79 10.000% * 3.6528% (0.94 0.18 0.02) = 3.653% kept HG2 PRO 112 - HN THR 79 10.000% * 0.3920% (0.92 0.02 0.02) = 0.392% HB3 GLU- 75 - HN THR 79 10.000% * 0.3086% (0.73 0.02 0.02) = 0.309% HG2 GLU- 45 - HN THR 79 10.000% * 0.2920% (0.69 0.02 0.02) = 0.292% HB VAL 105 - HN THR 79 10.000% * 0.2069% (0.49 0.02 0.02) = 0.207% HG2 PRO 104 - HN THR 79 10.000% * 0.1312% (0.31 0.02 0.02) = 0.131% HB2 GLU- 56 - HN THR 79 10.000% * 0.1182% (0.28 0.02 0.02) = 0.118% HB VAL 87 - HN THR 79 10.000% * 0.1060% (0.25 0.02 0.02) = 0.106% Peak 1053 (2.36, 9.03, 108.30 ppm): 6 chemical-shift based assignments, quality = 0.427, support = 3.73, residual support = 16.6: * HB2 LYS+ 78 - HN THR 79 16.667% * 73.2137% (0.25 5.01 22.64) = 73.214% kept HG3 GLU- 50 - HN THR 79 16.667% * 17.9077% (1.00 0.31 0.02) = 17.908% kept HB2 GLU- 64 - HN THR 79 16.667% * 6.7231% (0.98 0.12 0.02) = 6.723% kept HG2 PRO 112 - HN THR 79 16.667% * 0.9218% (0.79 0.02 0.02) = 0.922% HB3 GLU- 50 - HN THR 79 16.667% * 0.6168% (0.53 0.02 0.02) = 0.617% HG3 GLU- 56 - HN THR 79 16.667% * 0.6168% (0.53 0.02 0.02) = 0.617% Peak 1054 (1.62, 9.03, 108.30 ppm): 11 chemical-shift based assignments, quality = 0.956, support = 4.08, residual support = 20.2: * HG3 LYS+ 78 - HN THR 79 9.091% * 89.0710% (0.99 4.55 22.64) = 89.071% kept HB ILE 68 - HN THR 79 9.091% * 4.9294% (0.83 0.30 0.02) = 4.929% kept HG LEU 43 - HN THR 79 9.091% * 4.0337% (0.83 0.24 0.02) = 4.034% kept HG2 LYS+ 110 - HN THR 79 9.091% * 0.3540% (0.90 0.02 0.02) = 0.354% HB VAL 122 - HN THR 79 9.091% * 0.3297% (0.83 0.02 0.02) = 0.330% HG12 ILE 101 - HN THR 79 9.091% * 0.3161% (0.80 0.02 0.02) = 0.316% HB3 PRO 52 - HN THR 79 9.091% * 0.3017% (0.76 0.02 0.02) = 0.302% HG LEU 23 - HN THR 79 9.091% * 0.2867% (0.73 0.02 0.02) = 0.287% HD3 LYS+ 32 - HN THR 79 9.091% * 0.2394% (0.61 0.02 0.02) = 0.239% HG2 ARG+ 22 - HN THR 79 9.091% * 0.0691% (0.17 0.02 0.02) = 0.069% HB3 LYS+ 32 - HN THR 79 9.091% * 0.0691% (0.17 0.02 0.02) = 0.069% Peak 1055 (7.53, 9.03, 108.30 ppm): 1 chemical-shift based assignment, quality = 0.964, support = 2.54, residual support = 10.5: * T HN ASP- 82 - HN THR 79 100.000% *100.0000% (0.96 10.00 2.54 10.53) = 100.000% kept Peak 1056 (1.10, 9.03, 108.30 ppm): 3 chemical-shift based assignments, quality = 0.972, support = 4.01, residual support = 26.9: * QG2 THR 79 - HN THR 79 33.333% * 96.8653% (0.99 4.13 27.82) = 96.865% kept QG2 THR 95 - HN THR 79 33.333% * 2.9224% (0.45 0.28 0.02) = 2.922% kept QG2 THR 61 - HN THR 79 33.333% * 0.2124% (0.45 0.02 0.80) = 0.212% Peak 1057 (1.36, 9.03, 108.30 ppm): 7 chemical-shift based assignments, quality = 0.731, support = 3.22, residual support = 15.2: * HG2 LYS+ 78 - HN THR 79 14.286% * 51.1597% (0.73 4.81 22.64) = 51.160% kept QG2 THR 39 - HN THR 79 14.286% * 20.8840% (0.53 2.71 16.04) = 20.884% kept HG3 LYS+ 81 - HN THR 79 14.286% * 13.1389% (0.94 0.95 1.01) = 13.139% kept HB3 LYS+ 20 - HN THR 79 14.286% * 7.8303% (0.98 0.55 1.30) = 7.830% kept HB3 LEU 17 - HN THR 79 14.286% * 4.0585% (0.99 0.28 0.02) = 4.059% kept HG13 ILE 68 - HN THR 79 14.286% * 2.6459% (0.34 0.53 0.02) = 2.646% kept QB ALA 11 - HN THR 79 14.286% * 0.2827% (0.96 0.02 0.02) = 0.283% Peak 1058 (8.32, 8.33, 108.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1059 (3.92, 8.33, 108.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1060 (8.23, 8.24, 106.55 ppm): 1 diagonal assignment: * HN GLY 58 - HN GLY 58 (0.95) kept Peak 1061 (2.21, 8.24, 106.55 ppm): 14 chemical-shift based assignments, quality = 0.884, support = 3.28, residual support = 17.6: * O HA1 GLY 58 - HN GLY 58 7.143% * 96.5178% (0.89 10.0 3.38 18.23) = 96.518% kept HG2 PRO 112 - HN GLY 58 7.143% * 2.7966% (0.99 1.0 0.52 0.02) = 2.797% kept HG3 MET 126 - HN GLY 58 7.143% * 0.1039% (0.95 1.0 0.02 0.02) = 0.104% HG3 MET 97 - HN GLY 58 7.143% * 0.0965% (0.89 1.0 0.02 0.02) = 0.097% HB2 GLU- 50 - HN GLY 58 7.143% * 0.0862% (0.79 1.0 0.02 0.02) = 0.086% HG3 GLU- 18 - HN GLY 58 7.143% * 0.0781% (0.72 1.0 0.02 0.02) = 0.078% HG2 MET 126 - HN GLY 58 7.143% * 0.0739% (0.68 1.0 0.02 0.02) = 0.074% HG3 GLN 102 - HN GLY 58 7.143% * 0.0653% (0.60 1.0 0.02 0.02) = 0.065% HG3 GLU- 109 - HN GLY 58 7.143% * 0.0524% (0.48 1.0 0.02 0.02) = 0.052% HB2 PRO 52 - HN GLY 58 7.143% * 0.0524% (0.48 1.0 0.02 0.02) = 0.052% HB VAL 99 - HN GLY 58 7.143% * 0.0240% (0.22 1.0 0.02 0.02) = 0.024% HB3 PRO 104 - HN GLY 58 7.143% * 0.0213% (0.20 1.0 0.02 0.02) = 0.021% HB3 GLU- 45 - HN GLY 58 7.143% * 0.0166% (0.15 1.0 0.02 0.02) = 0.017% HB3 GLU- 75 - HN GLY 58 7.143% * 0.0151% (0.14 1.0 0.02 0.02) = 0.015% Peak 1062 (2.80, 8.24, 106.55 ppm): 6 chemical-shift based assignments, quality = 0.933, support = 2.96, residual support = 17.7: * O HA2 GLY 58 - HN GLY 58 16.667% * 96.8577% (0.94 10.0 3.04 18.23) = 96.858% kept HE3 LYS+ 32 - HN GLY 58 16.667% * 2.9196% (0.91 1.0 0.62 0.02) = 2.920% kept HE3 LYS+ 111 - HN GLY 58 16.667% * 0.0783% (0.76 1.0 0.02 0.02) = 0.078% HB3 ASN 89 - HN GLY 58 16.667% * 0.0621% (0.60 1.0 0.02 0.02) = 0.062% HB2 ASN 119 - HN GLY 58 16.667% * 0.0621% (0.60 1.0 0.02 0.02) = 0.062% HB3 ASN 119 - HN GLY 58 16.667% * 0.0203% (0.20 1.0 0.02 0.02) = 0.020% Peak 1063 (4.38, 8.24, 106.55 ppm): 13 chemical-shift based assignments, quality = 0.498, support = 2.61, residual support = 12.4: * O HA ASN 57 - HN GLY 58 7.692% * 93.7481% (0.48 10.0 2.77 13.11) = 93.748% kept HA LYS+ 60 - HN GLY 58 7.692% * 3.5961% (0.94 1.0 0.39 0.13) = 3.596% kept HA TRP 51 - HN GLY 58 7.692% * 1.4469% (0.91 1.0 0.16 5.32) = 1.447% kept HA SER 27 - HN GLY 58 7.692% * 0.1922% (0.99 1.0 0.02 0.02) = 0.192% HA ALA 37 - HN GLY 58 7.692% * 0.1909% (0.98 1.0 0.02 0.02) = 0.191% HA ALA 91 - HN GLY 58 7.692% * 0.1822% (0.94 1.0 0.02 0.02) = 0.182% HA SER 88 - HN GLY 58 7.692% * 0.1671% (0.86 1.0 0.02 0.02) = 0.167% HB THR 61 - HN GLY 58 7.692% * 0.1399% (0.72 1.0 0.02 0.02) = 0.140% HA2 GLY 26 - HN GLY 58 7.692% * 0.1168% (0.60 1.0 0.02 0.02) = 0.117% HA THR 95 - HN GLY 58 7.692% * 0.0863% (0.44 1.0 0.02 0.02) = 0.086% HA PRO 104 - HN GLY 58 7.692% * 0.0657% (0.34 1.0 0.02 0.02) = 0.066% HA PRO 112 - HN GLY 58 7.692% * 0.0381% (0.20 1.0 0.02 0.02) = 0.038% HA PRO 116 - HN GLY 58 7.692% * 0.0297% (0.15 1.0 0.02 0.02) = 0.030% Peak 1064 (8.81, 8.24, 106.55 ppm): 4 chemical-shift based assignments, quality = 0.898, support = 2.66, residual support = 12.3: * T HN ASN 57 - HN GLY 58 25.000% * 94.0535% (0.91 10.00 2.77 13.11) = 94.054% kept HN LYS+ 60 - HN GLY 58 25.000% * 3.5151% (0.60 1.00 1.14 0.13) = 3.515% kept HN LYS+ 32 - HN GLY 58 25.000% * 2.2226% (0.83 1.00 0.52 0.02) = 2.223% kept HN SER 69 - HN GLY 58 25.000% * 0.2088% (0.25 1.00 0.16 0.02) = 0.209% Peak 1065 (1.73, 8.24, 106.55 ppm): 6 chemical-shift based assignments, quality = 0.553, support = 1.66, residual support = 7.19: HB ILE 48 - HN GLY 58 16.667% * 53.5675% (0.79 1.14 1.16) = 53.567% kept HD3 PRO 59 - HN GLY 58 16.667% * 36.7096% (0.22 2.82 17.89) = 36.710% kept HB2 GLN 16 - HN GLY 58 16.667% * 6.6493% (0.64 0.18 0.02) = 6.649% kept HB2 LEU 17 - HN GLY 58 16.667% * 1.6076% (0.34 0.08 0.02) = 1.608% kept HB3 LEU 23 - HN GLY 58 16.667% * 0.7566% (0.64 0.02 0.02) = 0.757% HB2 LYS+ 117 - HN GLY 58 16.667% * 0.7094% (0.60 0.02 0.02) = 0.709% Peak 1066 (9.49, 8.24, 106.55 ppm): 3 chemical-shift based assignments, quality = 0.864, support = 1.64, residual support = 3.73: * HE1 TRP 51 - HN GLY 58 33.333% * 52.2260% (0.76 1.92 5.32) = 52.226% kept HN ALA 70 - HN GLY 58 33.333% * 47.5964% (0.99 1.34 2.01) = 47.596% kept HN HIS+ 98 - HN GLY 58 33.333% * 0.1776% (0.25 0.02 0.02) = 0.178% Peak 1067 (2.90, 8.24, 106.55 ppm): 5 chemical-shift based assignments, quality = 0.849, support = 3.41, residual support = 12.3: * HB3 ASN 57 - HN GLY 58 20.000% * 93.4627% (0.86 3.64 13.11) = 93.463% kept HE3 LYS+ 81 - HN GLY 58 20.000% * 5.9503% (0.79 0.25 0.02) = 5.950% kept HB2 HIS+ 98 - HN GLY 58 20.000% * 0.3355% (0.56 0.02 0.02) = 0.335% HB2 CYS 121 - HN GLY 58 20.000% * 0.1478% (0.25 0.02 0.02) = 0.148% HE3 LYS+ 60 - HN GLY 58 20.000% * 0.1038% (0.17 0.02 0.13) = 0.104% Peak 1068 (-0.95, 8.24, 103.33 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1069 (6.70, 8.24, 103.33 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1070 (3.15, 8.24, 103.33 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1071 (3.45, 8.37, 103.40 ppm): 6 chemical-shift based assignments, quality = 0.467, support = 2.77, residual support = 13.0: * O HA1 GLY 71 - HN GLY 71 16.667% * 84.4072% (0.41 10.0 3.11 15.29) = 84.407% kept HA VAL 62 - HN GLY 71 16.667% * 8.0914% (0.94 1.0 0.83 0.24) = 8.091% kept HA ILE 48 - HN GLY 71 16.667% * 7.0229% (0.64 1.0 1.06 0.78) = 7.023% kept HA VAL 40 - HN GLY 71 16.667% * 0.1841% (0.89 1.0 0.02 0.02) = 0.184% HA VAL 80 - HN GLY 71 16.667% * 0.1781% (0.86 1.0 0.02 0.02) = 0.178% HD3 PRO 31 - HN GLY 71 16.667% * 0.1162% (0.56 1.0 0.02 0.02) = 0.116% Peak 1072 (8.36, 8.37, 103.40 ppm): 1 diagonal assignment: * HN GLY 71 - HN GLY 71 (0.92) kept Peak 1073 (4.10, 8.37, 103.40 ppm): 6 chemical-shift based assignments, quality = 0.984, support = 2.69, residual support = 13.9: * O HA ALA 70 - HN GLY 71 16.667% * 99.1508% (0.99 10.0 2.72 14.06) = 99.151% kept HA THR 46 - HN GLY 71 16.667% * 0.5704% (0.86 1.0 0.13 0.02) = 0.570% HA LYS+ 63 - HN GLY 71 16.667% * 0.0985% (0.99 1.0 0.02 0.02) = 0.098% HB3 SER 49 - HN GLY 71 16.667% * 0.0796% (0.80 1.0 0.02 0.02) = 0.080% HA THR 24 - HN GLY 71 16.667% * 0.0759% (0.76 1.0 0.02 0.02) = 0.076% HA ARG+ 53 - HN GLY 71 16.667% * 0.0248% (0.25 1.0 0.02 0.02) = 0.025% Peak 1074 (0.66, 8.37, 103.40 ppm): 7 chemical-shift based assignments, quality = 0.608, support = 1.36, residual support = 0.988: QG2 ILE 48 - HN GLY 71 14.286% * 40.2470% (0.91 1.51 0.78) = 40.247% kept QG1 VAL 62 - HN GLY 71 14.286% * 17.3474% (0.76 0.78 0.24) = 17.347% kept * QG2 ILE 68 - HN GLY 71 14.286% * 12.3766% (0.25 1.70 2.95) = 12.377% kept HG12 ILE 19 - HN GLY 71 14.286% * 12.2679% (0.28 1.51 0.51) = 12.268% kept QG2 ILE 101 - HN GLY 71 14.286% * 11.7488% (0.29 1.38 1.48) = 11.749% kept QD1 ILE 19 - HN GLY 71 14.286% * 5.8669% (0.20 1.02 0.51) = 5.867% kept QG2 VAL 94 - HN GLY 71 14.286% * 0.1454% (0.25 0.02 0.02) = 0.145% Peak 1075 (1.47, 8.37, 103.40 ppm): 7 chemical-shift based assignments, quality = 0.684, support = 2.8, residual support = 10.7: * QB ALA 70 - HN GLY 71 14.286% * 75.3736% (0.64 3.57 14.06) = 75.374% kept HG13 ILE 48 - HN GLY 71 14.286% * 16.4192% (0.83 0.60 0.78) = 16.419% kept HB3 LEU 67 - HN GLY 71 14.286% * 6.2720% (0.99 0.19 0.02) = 6.272% kept HG3 PRO 52 - HN GLY 71 14.286% * 0.6406% (0.98 0.02 0.02) = 0.641% HB3 LYS+ 44 - HN GLY 71 14.286% * 0.4489% (0.68 0.02 0.02) = 0.449% HG2 PRO 59 - HN GLY 71 14.286% * 0.4228% (0.64 0.02 0.02) = 0.423% HG3 LYS+ 60 - HN GLY 71 14.286% * 0.4228% (0.64 0.02 0.02) = 0.423% Peak 1076 (7.96, 8.37, 103.40 ppm): 2 chemical-shift based assignments, quality = 0.937, support = 3.82, residual support = 12.4: * HN LYS+ 72 - HN GLY 71 50.000% * 96.7410% (0.96 3.93 12.79) = 96.741% kept HN LEU 43 - HN GLY 71 50.000% * 3.2590% (0.25 0.51 0.14) = 3.259% kept Peak 1077 (9.50, 8.37, 103.40 ppm): 2 chemical-shift based assignments, quality = 0.934, support = 2.7, residual support = 14.0: * HN ALA 70 - HN GLY 71 50.000% * 99.2690% (0.94 2.72 14.06) = 99.269% kept HE1 TRP 51 - HN GLY 71 50.000% * 0.7310% (0.94 0.02 0.02) = 0.731% Peak 1078 (4.90, 8.37, 103.40 ppm): 1 chemical-shift based assignment, quality = 0.446, support = 0.288, residual support = 0.511: HA ILE 19 - HN GLY 71 100.000% *100.0000% (0.45 0.29 0.51) = 100.000% kept Reference assignment not found: HA SER 69 - HN GLY 71 Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1079 (-0.95, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1080 (10.50, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1081 (9.88, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1082 (5.92, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1083 (0.57, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1084 (-0.39, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1085 (1.38, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1086 (4.85, 12.93, 103.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1087 (0.84, 8.42, 122.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1088 (1.98, 8.42, 122.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1089 (4.77, 8.42, 122.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1090 (9.35, 9.36, 115.05 ppm): 1 diagonal assignment: * HN THR 24 - HN THR 24 (0.88) kept Peak 1091 (4.78, 9.36, 115.05 ppm): 2 chemical-shift based assignments, quality = 0.475, support = 4.84, residual support = 11.4: * O HA LEU 23 - HN THR 24 50.000% * 87.0994% (0.40 10.0 5.37 13.02) = 87.099% kept HA ASN 15 - HN THR 24 50.000% * 12.9006% (0.96 1.0 1.24 0.23) = 12.901% kept Peak 1092 (1.54, 9.36, 115.05 ppm): 9 chemical-shift based assignments, quality = 0.739, support = 3.19, residual support = 18.3: * QG2 THR 24 - HN THR 24 11.111% * 65.6024% (0.82 4.27 27.69) = 65.602% kept HG13 ILE 29 - HN THR 24 11.111% * 16.4394% (0.71 1.23 0.62) = 16.439% kept HG12 ILE 29 - HN THR 24 11.111% * 12.6333% (0.52 1.31 0.62) = 12.633% kept HB3 LEU 90 - HN THR 24 11.111% * 2.7911% (0.59 0.25 0.02) = 2.791% kept HG LEU 17 - HN THR 24 11.111% * 2.0993% (0.17 0.65 0.02) = 2.099% kept QB ALA 42 - HN THR 24 11.111% * 0.1936% (0.52 0.02 0.02) = 0.194% HD3 LYS+ 81 - HN THR 24 11.111% * 0.1023% (0.27 0.02 0.02) = 0.102% HD3 LYS+ 60 - HN THR 24 11.111% * 0.0819% (0.22 0.02 0.02) = 0.082% HB ILE 19 - HN THR 24 11.111% * 0.0568% (0.15 0.02 0.02) = 0.057% Peak 1093 (1.72, 9.36, 115.05 ppm): 4 chemical-shift based assignments, quality = 0.621, support = 2.4, residual support = 5.76: HB2 GLN 16 - HN THR 24 25.000% * 56.3812% (0.98 1.03 1.16) = 56.381% kept * HB3 LEU 23 - HN THR 24 25.000% * 39.1579% (0.15 4.61 13.02) = 39.158% kept HB ILE 48 - HN THR 24 25.000% * 4.2159% (0.24 0.31 0.02) = 4.216% kept HG2 PRO 52 - HN THR 24 25.000% * 0.2449% (0.22 0.02 0.02) = 0.245% Peak 1094 (4.09, 9.36, 115.05 ppm): 8 chemical-shift based assignments, quality = 0.876, support = 3.74, residual support = 27.6: * O HA THR 24 - HN THR 24 12.500% * 99.6936% (0.88 10.0 3.75 27.69) = 99.694% kept HB3 SER 49 - HN THR 24 12.500% * 0.0719% (0.63 1.0 0.02 0.02) = 0.072% HA LYS+ 63 - HN THR 24 12.500% * 0.0629% (0.55 1.0 0.02 0.02) = 0.063% HA ALA 70 - HN THR 24 12.500% * 0.0585% (0.52 1.0 0.02 0.02) = 0.058% HB2 SER 49 - HN THR 24 12.500% * 0.0379% (0.33 1.0 0.02 0.02) = 0.038% HA VAL 125 - HN THR 24 12.500% * 0.0309% (0.27 1.0 0.02 0.02) = 0.031% HA THR 46 - HN THR 24 12.500% * 0.0247% (0.22 1.0 0.02 0.02) = 0.025% HB THR 38 - HN THR 24 12.500% * 0.0195% (0.17 1.0 0.02 0.02) = 0.019% Peak 1095 (1.91, 9.36, 115.05 ppm): 13 chemical-shift based assignments, quality = 0.866, support = 3.85, residual support = 9.67: * HB2 LEU 23 - HN THR 24 7.692% * 73.1426% (0.93 4.88 13.02) = 73.143% kept HB ILE 29 - HN THR 24 7.692% * 17.5522% (0.78 1.38 0.62) = 17.552% kept HB2 PRO 112 - HN THR 24 7.692% * 4.7504% (0.88 0.34 0.02) = 4.750% kept HB3 GLN 16 - HN THR 24 7.692% * 3.0657% (0.27 0.70 1.16) = 3.066% kept HD3 LYS+ 63 - HN THR 24 7.692% * 0.3140% (0.97 0.02 0.02) = 0.314% HB3 GLN 102 - HN THR 24 7.692% * 0.2841% (0.88 0.02 0.02) = 0.284% HB3 ARG+ 53 - HN THR 24 7.692% * 0.2049% (0.63 0.02 0.02) = 0.205% HB3 CYS 123 - HN THR 24 7.692% * 0.1542% (0.48 0.02 0.02) = 0.154% HB2 PRO 116 - HN THR 24 7.692% * 0.1420% (0.44 0.02 0.02) = 0.142% HB2 GLU- 10 - HN THR 24 7.692% * 0.1420% (0.44 0.02 0.02) = 0.142% HG2 PRO 112 - HN THR 24 7.692% * 0.0971% (0.30 0.02 0.02) = 0.097% HG2 GLU- 18 - HN THR 24 7.692% * 0.0881% (0.27 0.02 0.02) = 0.088% HB2 GLU- 75 - HN THR 24 7.692% * 0.0627% (0.19 0.02 0.02) = 0.063% Peak 1096 (4.42, 9.36, 115.05 ppm): 11 chemical-shift based assignments, quality = 0.809, support = 3.06, residual support = 27.2: * O HB THR 24 - HN THR 24 9.091% * 98.0471% (0.82 10.0 3.11 27.69) = 98.047% kept HA PRO 112 - HN THR 24 9.091% * 1.4177% (0.44 1.0 0.54 0.02) = 1.418% kept HA LYS+ 66 - HN THR 24 9.091% * 0.1110% (0.93 1.0 0.02 0.02) = 0.111% HA LYS+ 111 - HN THR 24 9.091% * 0.1018% (0.85 1.0 0.02 0.02) = 0.102% HA HIS+ 14 - HN THR 24 9.091% * 0.0897% (0.75 1.0 0.02 0.02) = 0.090% HA PRO 86 - HN THR 24 9.091% * 0.0712% (0.59 1.0 0.02 0.02) = 0.071% HA PRO 116 - HN THR 24 9.091% * 0.0618% (0.52 1.0 0.02 0.02) = 0.062% HA PRO 104 - HN THR 24 9.091% * 0.0326% (0.27 1.0 0.02 0.02) = 0.033% HA MET 118 - HN THR 24 9.091% * 0.0232% (0.19 1.0 0.02 0.02) = 0.023% HA THR 95 - HN THR 24 9.091% * 0.0232% (0.19 1.0 0.02 0.02) = 0.023% HA ASN 57 - HN THR 24 9.091% * 0.0206% (0.17 1.0 0.02 0.02) = 0.021% Peak 1098 (4.27, 8.43, 123.78 ppm): 38 chemical-shift based assignments, quality = 0.95, support = 2.63, residual support = 15.6: * O HA PRO 52 - HN ARG+ 53 2.632% * 65.3026% (0.99 10.0 3.53 23.29) = 65.303% kept O HA VAL 122 - HN CYS 123 2.632% * 30.3572% (0.92 10.0 1.00 1.21) = 30.357% kept HA LEU 90 - HN ARG+ 53 2.632% * 1.7680% (0.86 1.0 0.62 0.23) = 1.768% kept HA VAL 122 - HN ARG+ 53 2.632% * 1.1940% (0.91 1.0 0.40 0.02) = 1.194% kept HA PRO 52 - HN CYS 123 2.632% * 0.0658% (1.00 1.0 0.02 0.02) = 0.066% HA ARG+ 84 - HN CYS 123 2.632% * 0.0658% (1.00 1.0 0.02 0.02) = 0.066% HA SER 85 - HN CYS 123 2.632% * 0.0658% (1.00 1.0 0.02 0.02) = 0.066% HA VAL 94 - HN CYS 123 2.632% * 0.0656% (0.99 1.0 0.02 0.02) = 0.066% HA ARG+ 84 - HN ARG+ 53 2.632% * 0.0653% (0.99 1.0 0.02 0.02) = 0.065% HA SER 85 - HN ARG+ 53 2.632% * 0.0653% (0.99 1.0 0.02 0.02) = 0.065% HA VAL 94 - HN ARG+ 53 2.632% * 0.0652% (0.99 1.0 0.02 0.02) = 0.065% HA GLU- 56 - HN CYS 123 2.632% * 0.0607% (0.92 1.0 0.02 0.02) = 0.061% HA GLU- 56 - HN ARG+ 53 2.632% * 0.0603% (0.91 1.0 0.02 0.02) = 0.060% HA LEU 90 - HN CYS 123 2.632% * 0.0571% (0.86 1.0 0.02 0.02) = 0.057% HA GLU- 64 - HN CYS 123 2.632% * 0.0527% (0.80 1.0 0.02 0.02) = 0.053% HA GLU- 64 - HN ARG+ 53 2.632% * 0.0523% (0.79 1.0 0.02 0.02) = 0.052% HA GLU- 75 - HN CYS 123 2.632% * 0.0503% (0.76 1.0 0.02 0.02) = 0.050% HA GLU- 75 - HN ARG+ 53 2.632% * 0.0499% (0.76 1.0 0.02 0.02) = 0.050% HB3 CYS 121 - HN CYS 123 2.632% * 0.0452% (0.68 1.0 0.02 0.02) = 0.045% HB3 CYS 121 - HN ARG+ 53 2.632% * 0.0449% (0.68 1.0 0.02 0.02) = 0.045% HA THR 106 - HN CYS 123 2.632% * 0.0372% (0.56 1.0 0.02 0.02) = 0.037% HA THR 106 - HN ARG+ 53 2.632% * 0.0370% (0.56 1.0 0.02 0.02) = 0.037% HA CYS 121 - HN CYS 123 2.632% * 0.0346% (0.52 1.0 0.02 0.02) = 0.035% HA CYS 121 - HN ARG+ 53 2.632% * 0.0344% (0.52 1.0 0.02 0.02) = 0.034% HA GLU- 107 - HN CYS 123 2.632% * 0.0295% (0.45 1.0 0.02 0.02) = 0.029% HA ASN 119 - HN CYS 123 2.632% * 0.0295% (0.45 1.0 0.02 0.02) = 0.029% HA GLU- 107 - HN ARG+ 53 2.632% * 0.0293% (0.44 1.0 0.02 0.02) = 0.029% HA ASN 119 - HN ARG+ 53 2.632% * 0.0293% (0.44 1.0 0.02 0.02) = 0.029% HA ASN 76 - HN CYS 123 2.632% * 0.0270% (0.41 1.0 0.02 0.02) = 0.027% HA ASN 76 - HN ARG+ 53 2.632% * 0.0268% (0.41 1.0 0.02 0.02) = 0.027% HA ALA 11 - HN CYS 123 2.632% * 0.0224% (0.34 1.0 0.02 0.02) = 0.022% HA ALA 11 - HN ARG+ 53 2.632% * 0.0223% (0.34 1.0 0.02 0.02) = 0.022% HA ASP- 36 - HN CYS 123 2.632% * 0.0203% (0.31 1.0 0.02 0.02) = 0.020% HA ASP- 36 - HN ARG+ 53 2.632% * 0.0202% (0.30 1.0 0.02 0.02) = 0.020% HB3 SER 49 - HN CYS 123 2.632% * 0.0118% (0.18 1.0 0.02 0.02) = 0.012% HB3 SER 49 - HN ARG+ 53 2.632% * 0.0118% (0.18 1.0 0.02 0.02) = 0.012% HA PRO 59 - HN CYS 123 2.632% * 0.0115% (0.17 1.0 0.02 0.02) = 0.012% HA PRO 59 - HN ARG+ 53 2.632% * 0.0114% (0.17 1.0 0.02 0.02) = 0.011% Peak 1099 (1.90, 8.43, 123.78 ppm): 26 chemical-shift based assignments, quality = 0.921, support = 3.69, residual support = 24.6: * O HB3 ARG+ 53 - HN ARG+ 53 3.846% * 59.3796% (0.95 10.0 5.24 38.76) = 59.380% kept O HB3 CYS 123 - HN CYS 123 3.846% * 31.3299% (1.00 10.0 1.01 1.81) = 31.330% kept HD3 PRO 52 - HN ARG+ 53 3.846% * 4.4118% (0.27 1.0 5.16 23.29) = 4.412% kept HB3 ARG+ 53 - HN CYS 123 3.846% * 3.2281% (0.96 1.0 1.08 0.11) = 3.228% kept HD3 LYS+ 63 - HN ARG+ 53 3.846% * 0.5880% (0.56 1.0 0.34 0.02) = 0.588% HG2 PRO 112 - HN ARG+ 53 3.846% * 0.3488% (0.26 1.0 0.43 0.02) = 0.349% HB3 CYS 123 - HN ARG+ 53 3.846% * 0.0615% (0.99 1.0 0.02 0.11) = 0.062% HB3 GLN 16 - HN CYS 123 3.846% * 0.0572% (0.92 1.0 0.02 0.02) = 0.057% HG2 GLU- 18 - HN CYS 123 3.846% * 0.0572% (0.92 1.0 0.02 0.02) = 0.057% HB3 GLN 16 - HN ARG+ 53 3.846% * 0.0568% (0.91 1.0 0.02 0.02) = 0.057% HG2 GLU- 18 - HN ARG+ 53 3.846% * 0.0568% (0.91 1.0 0.02 0.02) = 0.057% HB2 PRO 112 - HN CYS 123 3.846% * 0.0554% (0.89 1.0 0.02 0.02) = 0.055% HB2 PRO 112 - HN ARG+ 53 3.846% * 0.0550% (0.88 1.0 0.02 0.02) = 0.055% HB3 GLN 102 - HN CYS 123 3.846% * 0.0474% (0.76 1.0 0.02 0.02) = 0.047% HB3 GLN 102 - HN ARG+ 53 3.846% * 0.0470% (0.76 1.0 0.02 0.02) = 0.047% HD3 LYS+ 63 - HN CYS 123 3.846% * 0.0351% (0.56 1.0 0.02 0.02) = 0.035% HG3 LYS+ 120 - HN CYS 123 3.846% * 0.0302% (0.48 1.0 0.02 0.02) = 0.030% HG3 LYS+ 120 - HN ARG+ 53 3.846% * 0.0299% (0.48 1.0 0.02 0.02) = 0.030% HB2 LEU 23 - HN CYS 123 3.846% * 0.0191% (0.31 1.0 0.02 0.02) = 0.019% HB2 LEU 23 - HN ARG+ 53 3.846% * 0.0190% (0.30 1.0 0.02 0.20) = 0.019% HD3 PRO 52 - HN CYS 123 3.846% * 0.0172% (0.28 1.0 0.02 0.02) = 0.017% HG2 PRO 112 - HN CYS 123 3.846% * 0.0165% (0.26 1.0 0.02 0.02) = 0.016% HB3 ARG+ 84 - HN CYS 123 3.846% * 0.0155% (0.25 1.0 0.02 0.02) = 0.015% HB3 ARG+ 84 - HN ARG+ 53 3.846% * 0.0153% (0.25 1.0 0.02 0.02) = 0.015% HB ILE 29 - HN CYS 123 3.846% * 0.0109% (0.17 1.0 0.02 0.02) = 0.011% HB ILE 29 - HN ARG+ 53 3.846% * 0.0108% (0.17 1.0 0.02 0.02) = 0.011% Peak 1100 (4.12, 8.43, 123.78 ppm): 18 chemical-shift based assignments, quality = 0.946, support = 4.58, residual support = 36.5: * O HA ARG+ 53 - HN ARG+ 53 5.556% * 94.1566% (0.95 10.0 4.81 38.76) = 94.157% kept HA ARG+ 53 - HN CYS 123 5.556% * 4.9956% (0.96 1.0 1.05 0.11) = 4.996% kept HB3 SER 49 - HN CYS 123 5.556% * 0.0922% (0.93 1.0 0.02 0.02) = 0.092% HB3 SER 49 - HN ARG+ 53 5.556% * 0.0916% (0.93 1.0 0.02 0.02) = 0.092% HA LYS+ 110 - HN CYS 123 5.556% * 0.0751% (0.76 1.0 0.02 0.02) = 0.075% HA LYS+ 110 - HN ARG+ 53 5.556% * 0.0746% (0.76 1.0 0.02 0.02) = 0.075% HA2 GLY 71 - HN CYS 123 5.556% * 0.0675% (0.68 1.0 0.02 0.02) = 0.067% HA THR 46 - HN CYS 123 5.556% * 0.0675% (0.68 1.0 0.02 0.02) = 0.067% HA2 GLY 71 - HN ARG+ 53 5.556% * 0.0670% (0.68 1.0 0.02 0.02) = 0.067% HA THR 46 - HN ARG+ 53 5.556% * 0.0670% (0.68 1.0 0.02 0.02) = 0.067% HB2 SER 88 - HN CYS 123 5.556% * 0.0441% (0.45 1.0 0.02 0.02) = 0.044% HB2 SER 88 - HN ARG+ 53 5.556% * 0.0437% (0.44 1.0 0.02 0.02) = 0.044% HA ALA 70 - HN CYS 123 5.556% * 0.0335% (0.34 1.0 0.02 0.02) = 0.034% HA ALA 70 - HN ARG+ 53 5.556% * 0.0333% (0.34 1.0 0.02 0.02) = 0.033% HA LYS+ 63 - HN CYS 123 5.556% * 0.0303% (0.31 1.0 0.02 0.02) = 0.030% HA LYS+ 63 - HN ARG+ 53 5.556% * 0.0301% (0.30 1.0 0.02 0.02) = 0.030% HA VAL 87 - HN CYS 123 5.556% * 0.0152% (0.15 1.0 0.02 0.02) = 0.015% HA VAL 87 - HN ARG+ 53 5.556% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% Peak 1101 (4.50, 8.43, 123.78 ppm): 14 chemical-shift based assignments, quality = 0.76, support = 1.51, residual support = 1.73: * O HA CYS 123 - HN CYS 123 7.143% * 95.0807% (0.76 10.0 1.57 1.81) = 95.081% kept HA LYS+ 55 - HN ARG+ 53 7.143% * 2.8471% (0.93 1.0 0.38 0.34) = 2.847% kept HA LYS+ 55 - HN CYS 123 7.143% * 1.0471% (0.94 1.0 0.14 0.02) = 1.047% kept HB THR 79 - HN CYS 123 7.143% * 0.1566% (0.99 1.0 0.02 0.02) = 0.157% HB THR 79 - HN ARG+ 53 7.143% * 0.1555% (0.98 1.0 0.02 0.02) = 0.155% HA SER 77 - HN CYS 123 7.143% * 0.1208% (0.76 1.0 0.02 0.02) = 0.121% HA CYS 123 - HN ARG+ 53 7.143% * 0.1199% (0.76 1.0 0.02 0.11) = 0.120% HA SER 77 - HN ARG+ 53 7.143% * 0.1199% (0.76 1.0 0.02 0.02) = 0.120% HB THR 46 - HN CYS 123 7.143% * 0.1085% (0.68 1.0 0.02 0.02) = 0.109% HB THR 46 - HN ARG+ 53 7.143% * 0.1078% (0.68 1.0 0.02 0.02) = 0.108% HA LYS+ 32 - HN CYS 123 7.143% * 0.0439% (0.28 1.0 0.02 0.02) = 0.044% HA LYS+ 32 - HN ARG+ 53 7.143% * 0.0436% (0.27 1.0 0.02 0.02) = 0.044% HA MET 126 - HN CYS 123 7.143% * 0.0244% (0.15 1.0 0.02 0.02) = 0.024% HA MET 126 - HN ARG+ 53 7.143% * 0.0242% (0.15 1.0 0.02 0.02) = 0.024% Peak 1102 (3.47, 8.82, 121.40 ppm): 5 chemical-shift based assignments, quality = 0.61, support = 3.13, residual support = 4.46: * HD3 PRO 31 - HN LYS+ 32 20.000% * 53.6725% (0.80 2.49 3.55) = 53.672% kept HA1 GLY 30 - HN LYS+ 32 20.000% * 44.6347% (0.41 4.03 5.73) = 44.635% kept HA VAL 40 - HN LYS+ 32 20.000% * 0.9327% (0.45 0.08 0.02) = 0.933% HA1 GLY 71 - HN LYS+ 32 20.000% * 0.4977% (0.92 0.02 0.02) = 0.498% HA VAL 80 - HN LYS+ 32 20.000% * 0.2624% (0.48 0.02 0.02) = 0.262% Peak 1103 (1.48, 9.49, 134.56 ppm): 10 chemical-shift based assignments, quality = 0.994, support = 2.88, residual support = 13.8: * O QB ALA 70 - HN ALA 70 10.000% * 99.6336% (1.00 10.0 2.89 13.82) = 99.634% kept HB3 LYS+ 44 - HN ALA 70 10.000% * 0.0990% (0.99 1.0 0.02 0.02) = 0.099% HB3 LEU 67 - HN ALA 70 10.000% * 0.0565% (0.57 1.0 0.02 0.02) = 0.057% HG3 PRO 52 - HN ALA 70 10.000% * 0.0486% (0.49 1.0 0.02 0.02) = 0.049% HD3 LYS+ 108 - HN ALA 70 10.000% * 0.0448% (0.45 1.0 0.02 0.02) = 0.045% HB2 LYS+ 72 - HN ALA 70 10.000% * 0.0341% (0.34 1.0 0.02 2.40) = 0.034% HG13 ILE 48 - HN ALA 70 10.000% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HG3 LYS+ 72 - HN ALA 70 10.000% * 0.0249% (0.25 1.0 0.02 2.40) = 0.025% HG2 PRO 59 - HN ALA 70 10.000% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% HG3 LYS+ 60 - HN ALA 70 10.000% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 1104 (7.97, 7.97, 120.59 ppm): 1 diagonal assignment: * HN LEU 43 - HN LEU 43 (0.71) kept Peak 1106 (3.93, 8.45, 129.16 ppm): 4 chemical-shift based assignments, quality = 0.533, support = 5.9, residual support = 156.1: * O HA LEU 74 - HN LEU 74 25.000% * 98.2132% (0.53 10.0 6.01 158.96) = 98.213% kept HB THR 96 - HN LEU 74 25.000% * 1.6192% (0.99 1.0 0.18 0.02) = 1.619% kept HB2 SER 77 - HN LEU 74 25.000% * 0.0909% (0.49 1.0 0.02 0.02) = 0.091% HA1 GLY 114 - HN LEU 74 25.000% * 0.0767% (0.41 1.0 0.02 0.02) = 0.077% Peak 1107 (1.17, 8.45, 129.16 ppm): 5 chemical-shift based assignments, quality = 0.945, support = 5.57, residual support = 156.3: * O HB2 LEU 74 - HN LEU 74 20.000% * 98.3178% (0.95 10.0 5.66 158.96) = 98.318% kept QG2 THR 106 - HN LEU 74 20.000% * 1.4902% (0.98 1.0 0.29 0.02) = 1.490% kept HB2 LEU 43 - HN LEU 74 20.000% * 0.0959% (0.92 1.0 0.02 1.31) = 0.096% HG3 PRO 59 - HN LEU 74 20.000% * 0.0755% (0.73 1.0 0.02 1.53) = 0.075% QB ALA 33 - HN LEU 74 20.000% * 0.0206% (0.20 1.0 0.02 0.02) = 0.021% Peak 1108 (1.26, 8.45, 129.16 ppm): 5 chemical-shift based assignments, quality = 0.79, support = 5.14, residual support = 153.5: * O HB3 LEU 74 - HN LEU 74 20.000% * 96.5825% (0.80 10.0 5.29 158.96) = 96.583% kept HG13 ILE 101 - HN LEU 74 20.000% * 3.2116% (0.53 1.0 1.01 0.02) = 3.212% kept HG2 LYS+ 32 - HN LEU 74 20.000% * 0.1141% (0.95 1.0 0.02 0.57) = 0.114% HG2 LYS+ 81 - HN LEU 74 20.000% * 0.0732% (0.61 1.0 0.02 0.32) = 0.073% HB2 LYS+ 55 - HN LEU 74 20.000% * 0.0186% (0.15 1.0 0.02 0.02) = 0.019% Peak 1109 (-0.06, 8.45, 129.16 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 6.48, residual support = 159.0: * QD1 LEU 74 - HN LEU 74 100.000% *100.0000% (0.20 6.48 158.96) = 100.000% kept Peak 1110 (2.52, 8.26, 122.13 ppm): 4 chemical-shift based assignments, quality = 0.593, support = 2.24, residual support = 18.6: * O HB2 ASP- 115 - HN ASP- 115 25.000% * 99.6788% (0.59 10.0 2.24 18.67) = 99.679% kept HB2 ASP- 36 - HN ASP- 115 25.000% * 0.1629% (0.97 1.0 0.02 0.02) = 0.163% HB3 PRO 59 - HN ASP- 115 25.000% * 0.1063% (0.63 1.0 0.02 0.02) = 0.106% HG2 PRO 112 - HN ASP- 115 25.000% * 0.0520% (0.31 1.0 0.02 0.02) = 0.052% Peak 1111 (9.50, 9.50, 128.89 ppm): 1 diagonal assignment: * HE1 TRP 51 - HE1 TRP 51 (1.00) kept Peak 1112 (7.31, 9.50, 128.89 ppm): 7 chemical-shift based assignments, quality = 0.453, support = 1.61, residual support = 95.4: * O HZ2 TRP 51 - HE1 TRP 51 14.286% * 97.5343% (0.45 10.0 1.65 97.75) = 97.534% kept HN ARG+ 84 - HE1 TRP 51 14.286% * 1.6135% (0.97 1.0 0.13 1.28) = 1.614% kept HN VAL 47 - HE1 TRP 51 14.286% * 0.2499% (0.95 1.0 0.02 4.00) = 0.250% QD PHE 34 - HE1 TRP 51 14.286% * 0.2369% (0.90 1.0 0.02 0.02) = 0.237% HN ILE 48 - HE1 TRP 51 14.286% * 0.1286% (0.49 1.0 0.02 0.02) = 0.129% HZ PHE 34 - HE1 TRP 51 14.286% * 0.1184% (0.45 1.0 0.02 0.02) = 0.118% QE PHE 34 - HE1 TRP 51 14.286% * 0.1184% (0.45 1.0 0.02 0.02) = 0.118% Peak 1113 (7.14, 9.50, 128.89 ppm): 1 chemical-shift based assignment, quality = 0.566, support = 1.69, residual support = 97.8: * O HD1 TRP 51 - HE1 TRP 51 100.000% *100.0000% (0.57 10.0 1.69 97.75) = 100.000% kept Peak 1114 (2.80, 9.50, 128.89 ppm): 6 chemical-shift based assignments, quality = 0.894, support = 1.67, residual support = 4.18: * HA2 GLY 58 - HE1 TRP 51 16.667% * 74.9090% (0.92 2.10 5.32) = 74.909% kept HE3 LYS+ 32 - HE1 TRP 51 16.667% * 16.6185% (0.90 0.48 1.20) = 16.619% kept HE3 LYS+ 111 - HE1 TRP 51 16.667% * 7.4001% (0.73 0.26 0.02) = 7.400% kept HB2 ASN 119 - HE1 TRP 51 16.667% * 0.4998% (0.65 0.02 0.02) = 0.500% HB3 ASN 89 - HE1 TRP 51 16.667% * 0.4374% (0.57 0.02 0.02) = 0.437% HB3 ASN 119 - HE1 TRP 51 16.667% * 0.1353% (0.18 0.02 0.02) = 0.135% Peak 1115 (2.22, 9.50, 128.89 ppm): 14 chemical-shift based assignments, quality = 0.919, support = 2.07, residual support = 10.2: HB2 PRO 52 - HE1 TRP 51 7.143% * 34.5404% (0.99 2.64 19.28) = 34.540% kept * HA1 GLY 58 - HE1 TRP 51 7.143% * 25.3019% (0.84 2.29 5.32) = 25.302% kept HG2 PRO 112 - HE1 TRP 51 7.143% * 23.4247% (1.00 1.77 0.82) = 23.425% kept HB2 GLU- 50 - HE1 TRP 51 7.143% * 14.1953% (0.92 1.16 14.10) = 14.195% kept HG3 GLU- 18 - HE1 TRP 51 7.143% * 0.9586% (0.97 0.08 0.02) = 0.959% HG3 GLN 102 - HE1 TRP 51 7.143% * 0.2637% (1.00 0.02 0.02) = 0.264% HG3 GLU- 109 - HE1 TRP 51 7.143% * 0.2619% (0.99 0.02 0.02) = 0.262% HG3 MET 97 - HE1 TRP 51 7.143% * 0.2207% (0.84 0.02 0.02) = 0.221% HG3 MET 126 - HE1 TRP 51 7.143% * 0.1919% (0.73 0.02 0.02) = 0.192% HB3 GLU- 45 - HE1 TRP 51 7.143% * 0.1815% (0.69 0.02 0.02) = 0.182% HG3 GLN 16 - HE1 TRP 51 7.143% * 0.1603% (0.61 0.02 0.30) = 0.160% HG3 GLU- 10 - HE1 TRP 51 7.143% * 0.1496% (0.57 0.02 0.02) = 0.150% HB3 ASN 15 - HE1 TRP 51 7.143% * 0.1086% (0.41 0.02 0.02) = 0.109% HG2 MET 126 - HE1 TRP 51 7.143% * 0.0408% (0.15 0.02 0.02) = 0.041% Peak 1116 (1.91, 9.50, 128.89 ppm): 13 chemical-shift based assignments, quality = 0.66, support = 0.85, residual support = 7.17: HG2 PRO 112 - HE1 TRP 51 7.692% * 29.0438% (0.31 1.77 0.82) = 29.044% kept HB2 PRO 112 - HE1 TRP 51 7.692% * 28.6674% (0.89 0.60 0.82) = 28.667% kept HB2 LEU 23 - HE1 TRP 51 7.692% * 21.3256% (0.95 0.42 31.30) = 21.326% kept HB3 ARG+ 53 - HE1 TRP 51 7.692% * 15.8065% (0.65 0.46 0.02) = 15.807% kept HD3 LYS+ 63 - HE1 TRP 51 7.692% * 1.0590% (0.99 0.02 1.40) = 1.059% kept HB3 GLN 102 - HE1 TRP 51 7.692% * 0.9583% (0.90 0.02 0.02) = 0.958% HB ILE 29 - HE1 TRP 51 7.692% * 0.8556% (0.80 0.02 8.35) = 0.856% HB3 CYS 123 - HE1 TRP 51 7.692% * 0.5201% (0.49 0.02 0.02) = 0.520% HB2 GLU- 10 - HE1 TRP 51 7.692% * 0.4790% (0.45 0.02 0.02) = 0.479% HB2 PRO 116 - HE1 TRP 51 7.692% * 0.4790% (0.45 0.02 0.02) = 0.479% HG2 GLU- 18 - HE1 TRP 51 7.692% * 0.2971% (0.28 0.02 0.02) = 0.297% HB3 GLN 16 - HE1 TRP 51 7.692% * 0.2971% (0.28 0.02 0.30) = 0.297% HB2 GLU- 75 - HE1 TRP 51 7.692% * 0.2115% (0.20 0.02 0.02) = 0.211% Reference assignment not found: HB3 PRO 59 - HE1 TRP 51 Peak 1117 (1.75, 9.50, 128.89 ppm): 9 chemical-shift based assignments, quality = 0.871, support = 1.83, residual support = 6.26: HD3 PRO 59 - HE1 TRP 51 11.111% * 55.2318% (0.98 2.71 1.65) = 55.232% kept HB3 LEU 23 - HE1 TRP 51 11.111% * 16.7221% (0.84 0.96 31.30) = 16.722% kept HB2 LYS+ 117 - HE1 TRP 51 11.111% * 9.7712% (0.87 0.54 0.02) = 9.771% kept HG2 ARG+ 84 - HE1 TRP 51 11.111% * 8.4373% (0.38 1.08 1.28) = 8.437% kept HB ILE 48 - HE1 TRP 51 11.111% * 4.8463% (0.69 0.34 0.02) = 4.846% kept HB2 LEU 17 - HE1 TRP 51 11.111% * 4.0562% (1.00 0.20 0.16) = 4.056% kept HG3 ARG+ 53 - HE1 TRP 51 11.111% * 0.6226% (0.20 0.15 0.02) = 0.623% HB3 GLU- 18 - HE1 TRP 51 11.111% * 0.1709% (0.41 0.02 0.02) = 0.171% HB2 ARG+ 84 - HE1 TRP 51 11.111% * 0.1418% (0.34 0.02 1.28) = 0.142% Reference assignment not found: HB2 PRO 59 - HE1 TRP 51 Peak 1118 (1.43, 9.50, 128.89 ppm): 15 chemical-shift based assignments, quality = 0.736, support = 0.687, residual support = 0.475: HG3 LYS+ 113 - HE1 TRP 51 6.667% * 34.4053% (0.99 0.61 0.13) = 34.405% kept * HG2 PRO 59 - HE1 TRP 51 6.667% * 24.2596% (0.28 1.55 1.65) = 24.260% kept HD3 LYS+ 113 - HE1 TRP 51 6.667% * 14.8598% (1.00 0.26 0.13) = 14.860% kept HG3 ARG+ 22 - HE1 TRP 51 6.667% * 12.8872% (1.00 0.23 0.02) = 12.887% kept HG3 LYS+ 60 - HE1 TRP 51 6.667% * 6.9827% (0.28 0.44 0.02) = 6.983% kept HG3 LYS+ 55 - HE1 TRP 51 6.667% * 1.1290% (1.00 0.02 0.42) = 1.129% kept QG2 THR 38 - HE1 TRP 51 6.667% * 1.0895% (0.97 0.02 0.02) = 1.090% kept QB ALA 91 - HE1 TRP 51 6.667% * 1.0422% (0.92 0.02 0.02) = 1.042% kept HG LEU 90 - HE1 TRP 51 6.667% * 0.9793% (0.87 0.02 0.02) = 0.979% HD3 LYS+ 44 - HE1 TRP 51 6.667% * 0.9430% (0.84 0.02 0.02) = 0.943% QB ALA 37 - HE1 TRP 51 6.667% * 0.4641% (0.41 0.02 0.02) = 0.464% HG LEU 67 - HE1 TRP 51 6.667% * 0.2815% (0.25 0.02 0.02) = 0.282% HG13 ILE 100 - HE1 TRP 51 6.667% * 0.2513% (0.22 0.02 1.36) = 0.251% QB ALA 93 - HE1 TRP 51 6.667% * 0.2513% (0.22 0.02 0.02) = 0.251% HG13 ILE 48 - HE1 TRP 51 6.667% * 0.1742% (0.15 0.02 0.02) = 0.174% Peak 1119 (9.29, 9.30, 121.49 ppm): 1 diagonal assignment: * HN ILE 29 - HN ILE 29 (0.80) kept Peak 1120 (4.31, 9.30, 121.49 ppm): 7 chemical-shift based assignments, quality = 0.99, support = 5.03, residual support = 61.1: * O HA ILE 29 - HN ILE 29 14.286% * 99.7171% (0.99 10.0 5.05 61.32) = 99.717% kept HA ALA 93 - HN ILE 29 14.286% * 0.0964% (0.96 1.0 0.02 0.02) = 0.096% HA ASP- 36 - HN ILE 29 14.286% * 0.0647% (0.64 1.0 0.02 0.02) = 0.065% HA CYS 121 - HN ILE 29 14.286% * 0.0411% (0.41 1.0 0.02 0.02) = 0.041% HA THR 106 - HN ILE 29 14.286% * 0.0375% (0.37 1.0 0.02 0.02) = 0.038% HB3 CYS 121 - HN ILE 29 14.286% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HA LEU 90 - HN ILE 29 14.286% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 1121 (5.96, 9.30, 121.49 ppm): 1 chemical-shift based assignment, quality = 0.277, support = 5.02, residual support = 26.7: * O HA ASP- 28 - HN ILE 29 100.000% *100.0000% (0.28 10.0 5.02 26.71) = 100.000% kept Peak 1124 (0.83, 9.30, 121.49 ppm): 8 chemical-shift based assignments, quality = 0.925, support = 3.82, residual support = 51.1: * QD1 ILE 29 - HN ILE 29 12.500% * 81.1180% (0.98 4.60 61.32) = 81.118% kept QD2 LEU 17 - HN ILE 29 12.500% * 7.6443% (0.57 0.75 17.08) = 7.644% kept QG2 VAL 13 - HN ILE 29 12.500% * 6.2719% (0.80 0.44 0.02) = 6.272% kept QG1 VAL 13 - HN ILE 29 12.500% * 3.8204% (0.98 0.22 0.02) = 3.820% kept HG2 LYS+ 117 - HN ILE 29 12.500% * 0.3529% (0.98 0.02 0.02) = 0.353% QD2 LEU 67 - HN ILE 29 12.500% * 0.3427% (0.22 0.09 0.02) = 0.343% QG1 VAL 94 - HN ILE 29 12.500% * 0.2883% (0.80 0.02 0.02) = 0.288% QD2 LEU 90 - HN ILE 29 12.500% * 0.1614% (0.45 0.02 0.02) = 0.161% Peak 1125 (1.93, 9.30, 121.49 ppm): 14 chemical-shift based assignments, quality = 0.964, support = 4.9, residual support = 54.7: * O HB ILE 29 - HN ILE 29 7.143% * 86.3682% (0.99 10.0 5.25 61.32) = 86.368% kept HB2 LEU 23 - HN ILE 29 7.143% * 11.5307% (0.90 1.0 2.95 14.52) = 11.531% kept HG2 PRO 112 - HN ILE 29 7.143% * 1.6306% (0.34 1.0 1.11 0.85) = 1.631% kept HB2 GLU- 10 - HN ILE 29 7.143% * 0.0781% (0.90 1.0 0.02 0.02) = 0.078% HB2 PRO 116 - HN ILE 29 7.143% * 0.0781% (0.90 1.0 0.02 0.02) = 0.078% HD3 LYS+ 63 - HN ILE 29 7.143% * 0.0564% (0.65 1.0 0.02 0.02) = 0.056% HB2 GLU- 75 - HN ILE 29 7.143% * 0.0529% (0.61 1.0 0.02 0.02) = 0.053% HB2 PRO 112 - HN ILE 29 7.143% * 0.0473% (0.54 1.0 0.02 0.85) = 0.047% HB3 GLN 102 - HN ILE 29 7.143% * 0.0391% (0.45 1.0 0.02 0.02) = 0.039% HB3 LYS+ 55 - HN ILE 29 7.143% * 0.0358% (0.41 1.0 0.02 0.02) = 0.036% HG3 PRO 31 - HN ILE 29 7.143% * 0.0327% (0.37 1.0 0.02 0.02) = 0.033% HB3 ARG+ 53 - HN ILE 29 7.143% * 0.0194% (0.22 1.0 0.02 0.02) = 0.019% HB2 PRO 35 - HN ILE 29 7.143% * 0.0172% (0.20 1.0 0.02 0.02) = 0.017% HG3 PRO 116 - HN ILE 29 7.143% * 0.0134% (0.15 1.0 0.02 0.02) = 0.013% Peak 1127 (6.64, 6.64, 110.39 ppm): 1 diagonal assignment: HE21 GLN 102 - HE21 GLN 102 (0.44) kept Peak 1129 (8.28, 8.28, 120.11 ppm): 1 diagonal assignment: * HN ASN 89 - HN ASN 89 (0.91) kept Peak 1130 (4.68, 8.28, 120.11 ppm): 16 chemical-shift based assignments, quality = 0.943, support = 1.66, residual support = 3.96: * O HA ASN 89 - HN ASN 89 6.250% * 99.5793% (0.95 10.0 1.67 3.97) = 99.579% kept HA TYR 83 - HN ASN 89 6.250% * 0.0991% (0.79 1.0 0.02 0.02) = 0.099% HA PRO 35 - HN ASN 89 6.250% * 0.0700% (0.56 1.0 0.02 0.02) = 0.070% HA GLN 16 - HN ASN 89 6.250% * 0.0602% (0.48 1.0 0.02 0.02) = 0.060% HA VAL 99 - HN ASN 89 6.250% * 0.0422% (0.33 1.0 0.02 0.02) = 0.042% HA LYS+ 120 - HN ASN 89 6.250% * 0.0344% (0.27 1.0 0.02 0.02) = 0.034% HA THR 61 - HN ASN 89 6.250% * 0.0275% (0.22 1.0 0.02 0.02) = 0.028% HA ASN 89 - HN GLU- 12 6.250% * 0.0179% (0.14 1.0 0.02 0.02) = 0.018% HA THR 39 - HN ASN 89 6.250% * 0.0167% (0.13 1.0 0.02 0.02) = 0.017% HA TYR 83 - HN GLU- 12 6.250% * 0.0149% (0.12 1.0 0.02 0.02) = 0.015% HA PRO 35 - HN GLU- 12 6.250% * 0.0105% (0.08 1.0 0.02 0.02) = 0.011% HA GLN 16 - HN GLU- 12 6.250% * 0.0090% (0.07 1.0 0.02 0.02) = 0.009% HA VAL 99 - HN GLU- 12 6.250% * 0.0063% (0.05 1.0 0.02 0.02) = 0.006% HA LYS+ 120 - HN GLU- 12 6.250% * 0.0052% (0.04 1.0 0.02 0.02) = 0.005% HA THR 61 - HN GLU- 12 6.250% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% HA THR 39 - HN GLU- 12 6.250% * 0.0025% (0.02 1.0 0.02 0.02) = 0.003% Peak 1131 (7.31, 7.31, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1132 (6.82, 7.31, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1133 (6.82, 6.81, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1134 (7.31, 6.81, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1135 (4.26, 8.82, 115.02 ppm): 21 chemical-shift based assignments, quality = 0.814, support = 3.18, residual support = 10.1: * O HA GLU- 56 - HN ASN 57 4.762% * 90.7480% (0.82 10.0 3.44 11.12) = 90.748% kept HA GLU- 75 - HN ASN 57 4.762% * 4.7212% (0.95 1.0 0.90 0.02) = 4.721% kept HA GLU- 64 - HN ASN 57 4.762% * 1.4501% (0.93 1.0 0.28 0.02) = 1.450% kept HA PRO 59 - HN ASN 57 4.762% * 1.1568% (0.67 1.0 0.31 0.02) = 1.157% kept HA VAL 94 - HN ASN 57 4.762% * 1.0117% (0.55 1.0 0.33 0.02) = 1.012% kept HA ASN 119 - HN ASN 57 4.762% * 0.1048% (0.95 1.0 0.02 0.02) = 0.105% HA GLU- 107 - HN ASN 57 4.762% * 0.1048% (0.95 1.0 0.02 0.02) = 0.105% HA ASN 76 - HN ASN 57 4.762% * 0.1028% (0.93 1.0 0.02 0.02) = 0.103% HA ALA 11 - HN ASN 57 4.762% * 0.0974% (0.88 1.0 0.02 0.02) = 0.097% HA ARG+ 84 - HN ASN 57 4.762% * 0.0659% (0.59 1.0 0.02 0.02) = 0.066% HA SER 85 - HN ASN 57 4.762% * 0.0659% (0.59 1.0 0.02 0.02) = 0.066% HA PRO 52 - HN ASN 57 4.762% * 0.0659% (0.59 1.0 0.02 0.02) = 0.066% HA LYS+ 108 - HN ASN 57 4.762% * 0.0447% (0.40 1.0 0.02 0.02) = 0.045% HA GLU- 54 - HN ASN 57 4.762% * 0.0447% (0.40 1.0 0.02 0.02) = 0.045% HA GLU- 10 - HN ASN 57 4.762% * 0.0447% (0.40 1.0 0.02 0.02) = 0.045% HA VAL 122 - HN ASN 57 4.762% * 0.0408% (0.37 1.0 0.02 0.02) = 0.041% HA LEU 90 - HN ASN 57 4.762% * 0.0335% (0.30 1.0 0.02 0.02) = 0.034% HB3 SER 49 - HN ASN 57 4.762% * 0.0288% (0.26 1.0 0.02 0.02) = 0.029% HA ALA 42 - HN ASN 57 4.762% * 0.0271% (0.24 1.0 0.02 0.02) = 0.027% HA SER 49 - HN ASN 57 4.762% * 0.0215% (0.19 1.0 0.02 0.02) = 0.022% HB3 CYS 121 - HN ASN 57 4.762% * 0.0190% (0.17 1.0 0.02 0.02) = 0.019% Peak 1138 (7.63, 7.63, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1140 (2.83, 7.63, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1141 (2.83, 7.05, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1142 (8.95, 8.94, 125.29 ppm): 1 diagonal assignment: * HN ARG+ 22 - HN ARG+ 22 (0.98) kept Peak 1143 (2.93, 8.94, 123.00 ppm): 5 chemical-shift based assignments, quality = 0.552, support = 1.33, residual support = 0.736: HB2 HIS+ 98 - HN PHE 21 20.000% * 65.9343% (0.41 1.83 1.11) = 65.934% kept HE3 LYS+ 60 - HN PHE 21 20.000% * 30.9528% (0.87 0.41 0.02) = 30.953% kept HE3 LYS+ 81 - HN PHE 21 20.000% * 1.4661% (0.22 0.08 0.02) = 1.466% kept HB2 CYS 121 - HN PHE 21 20.000% * 1.3398% (0.76 0.02 0.02) = 1.340% kept HB3 ASN 57 - HN PHE 21 20.000% * 0.3070% (0.17 0.02 0.02) = 0.307% Reference assignment not found: HB2 PHE 21 - HN PHE 21 Peak 1144 (1.91, 8.94, 123.00 ppm): 12 chemical-shift based assignments, quality = 0.735, support = 2.91, residual support = 17.3: * HB ILE 29 - HN PHE 21 8.333% * 51.4443% (0.69 3.63 30.76) = 51.444% kept HB2 LEU 23 - HN PHE 21 8.333% * 42.7592% (0.87 2.39 3.50) = 42.759% kept HB2 PRO 116 - HN PHE 21 8.333% * 3.4562% (0.34 0.49 0.02) = 3.456% kept HD3 LYS+ 63 - HN PHE 21 8.333% * 0.4114% (1.00 0.02 0.02) = 0.411% HB3 GLN 102 - HN PHE 21 8.333% * 0.3979% (0.96 0.02 0.02) = 0.398% HB2 PRO 112 - HN PHE 21 8.333% * 0.3922% (0.95 0.02 0.02) = 0.392% HB3 ARG+ 53 - HN PHE 21 8.333% * 0.3151% (0.76 0.02 0.02) = 0.315% HB3 CYS 123 - HN PHE 21 8.333% * 0.2501% (0.61 0.02 0.02) = 0.250% HB3 GLN 16 - HN PHE 21 8.333% * 0.1547% (0.37 0.02 0.02) = 0.155% HG2 GLU- 18 - HN PHE 21 8.333% * 0.1547% (0.37 0.02 0.02) = 0.155% HB2 GLU- 10 - HN PHE 21 8.333% * 0.1406% (0.34 0.02 0.02) = 0.141% HG2 PRO 112 - HN PHE 21 8.333% * 0.1235% (0.30 0.02 0.02) = 0.123% Peak 1146 (5.35, 8.71, 122.58 ppm): 1 chemical-shift based assignment, quality = 0.56, support = 3.16, residual support = 8.54: HA THR 79 - HN VAL 40 100.000% *100.0000% (0.56 3.16 8.54) = 100.000% kept Peak 1150 (3.84, 8.21, 118.40 ppm): 9 chemical-shift based assignments, quality = 0.495, support = 0.325, residual support = 0.0787: HD3 PRO 86 - HN GLU- 45 11.111% * 32.1665% (0.56 0.29 0.02) = 32.166% kept HB3 SER 88 - HN GLU- 45 11.111% * 31.1851% (0.25 0.64 0.21) = 31.185% kept HA LYS+ 117 - HN GLU- 45 11.111% * 18.8280% (0.91 0.10 0.02) = 18.828% kept HB2 SER 85 - HN GLU- 45 11.111% * 5.3859% (0.22 0.12 0.02) = 5.386% kept HB3 SER 41 - HN GLU- 45 11.111% * 5.0595% (0.22 0.12 0.02) = 5.060% kept HA2 GLY 92 - HN GLU- 45 11.111% * 3.2802% (0.83 0.02 0.02) = 3.280% kept HD3 PRO 116 - HN GLU- 45 11.111% * 2.5405% (0.64 0.02 0.02) = 2.540% kept HB3 SER 77 - HN GLU- 45 11.111% * 0.7772% (0.20 0.02 0.02) = 0.777% HA2 GLY 114 - HN GLU- 45 11.111% * 0.7772% (0.20 0.02 0.02) = 0.777% Reference assignment not found: HA GLU- 45 - HN GLU- 45 Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1151 (0.09, 7.30, 114.60 ppm): 2 chemical-shift based assignments, quality = 0.153, support = 6.2, residual support = 33.2: * QG2 VAL 47 - HN ILE 48 50.000% * 99.0863% (0.15 6.25 33.51) = 99.086% kept QG2 VAL 47 - HZ2 TRP 51 50.000% * 0.9137% (0.02 0.50 4.00) = 0.914% Peak 1152 (8.24, 8.24, 123.72 ppm): 1 diagonal assignment: * HN LEU 67 - HN LEU 67 (0.99) kept Peak 1153 (5.56, 9.25, 131.84 ppm): 1 chemical-shift based assignment, quality = 0.523, support = 2.32, residual support = 8.63: * HA LEU 67 - HN ILE 100 100.000% *100.0000% (0.52 2.32 8.63) = 100.000% kept Peak 1154 (4.06, 7.40, 116.14 ppm): 5 chemical-shift based assignments, quality = 0.708, support = 0.871, residual support = 0.783: HB2 SER 49 - HN GLU- 64 20.000% * 54.9663% (0.92 0.70 0.82) = 54.966% kept HB3 SER 49 - HN GLU- 64 20.000% * 40.5492% (0.40 1.19 0.82) = 40.549% kept HB THR 38 - HN GLU- 64 20.000% * 1.6910% (1.00 0.02 0.02) = 1.691% kept HA VAL 125 - HN GLU- 64 20.000% * 1.6319% (0.96 0.02 0.02) = 1.632% kept HB3 SER 85 - HN GLU- 64 20.000% * 1.1616% (0.68 0.02 0.02) = 1.162% kept Reference assignment not found: HA LYS+ 63 - HN GLU- 64 Peak 1156 (3.43, 7.40, 116.14 ppm): 4 chemical-shift based assignments, quality = 0.819, support = 2.43, residual support = 3.18: HA ILE 48 - HN GLU- 64 25.000% * 59.3127% (0.94 2.44 3.02) = 59.313% kept * HA VAL 62 - HN GLU- 64 25.000% * 40.4708% (0.64 2.43 3.42) = 40.471% kept HA VAL 40 - HN GLU- 64 25.000% * 0.1146% (0.22 0.02 0.02) = 0.115% HA VAL 80 - HN GLU- 64 25.000% * 0.1019% (0.20 0.02 0.02) = 0.102% Peak 1157 (4.96, 8.87, 121.88 ppm): 5 chemical-shift based assignments, quality = 0.64, support = 1.32, residual support = 8.61: HA HIS+ 98 - HN ILE 68 20.000% * 36.7267% (0.92 0.90 15.60) = 36.727% kept HA SER 69 - HN ILE 68 20.000% * 25.4290% (0.20 2.91 10.87) = 25.429% kept HA MET 97 - HN ILE 68 20.000% * 22.7842% (0.69 0.75 0.46) = 22.784% kept HA ILE 101 - HN ILE 68 20.000% * 14.6635% (0.65 0.51 0.10) = 14.664% kept HA ALA 33 - HN ILE 68 20.000% * 0.3966% (0.45 0.02 0.02) = 0.397% Reference assignment not found: HA ILE 68 - HN ILE 68 Peak 1158 (4.92, 8.74, 127.82 ppm): 3 chemical-shift based assignments, quality = 0.411, support = 5.81, residual support = 125.4: * O HA ILE 101 - HN ILE 101 33.333% * 97.5847% (0.41 10.0 5.94 128.54) = 97.585% kept HA ALA 33 - HN ILE 101 33.333% * 1.7755% (0.61 1.0 0.25 0.23) = 1.776% kept HA HIS+ 98 - HN ILE 101 33.333% * 0.6398% (0.17 1.0 0.31 0.11) = 0.640% Peak 1159 (4.73, 8.30, 121.53 ppm): 5 chemical-shift based assignments, quality = 0.239, support = 3.24, residual support = 18.8: * O HA VAL 99 - HN VAL 99 20.000% * 86.9518% (0.18 10.0 3.63 21.52) = 86.952% kept HA LYS+ 20 - HN VAL 99 20.000% * 12.1280% (0.70 1.0 0.72 1.04) = 12.128% kept HA THR 61 - HN VAL 99 20.000% * 0.5090% (0.27 1.0 0.08 0.02) = 0.509% HA2 GLY 30 - HN VAL 99 20.000% * 0.2211% (0.45 1.0 0.02 0.02) = 0.221% HA THR 39 - HN VAL 99 20.000% * 0.1901% (0.39 1.0 0.02 0.02) = 0.190% Peak 1160 (8.96, 8.60, 125.48 ppm): 6 chemical-shift based assignments, quality = 0.865, support = 4.44, residual support = 11.4: * T HN MET 97 - HN LYS+ 20 16.667% * 60.7270% (0.96 10.00 4.46 7.88) = 60.727% kept HN ILE 19 - HN LYS+ 20 16.667% * 13.5253% (0.65 1.00 6.65 45.44) = 13.525% kept HN LEU 17 - HN LYS+ 20 16.667% * 8.6841% (1.00 1.00 2.77 1.08) = 8.684% kept HN THR 96 - HN LYS+ 20 16.667% * 8.5451% (0.65 1.00 4.20 1.81) = 8.545% kept HN PHE 21 - HN LYS+ 20 16.667% * 5.6402% (0.53 1.00 3.41 4.40) = 5.640% kept HN ARG+ 22 - HN LYS+ 20 16.667% * 2.8783% (0.73 1.00 1.26 0.25) = 2.878% kept Peak 1161 (4.97, 9.47, 124.72 ppm): 6 chemical-shift based assignments, quality = 0.817, support = 2.33, residual support = 11.0: * O HA MET 97 - HN HIS+ 98 16.667% * 62.2902% (0.98 10.0 2.05 3.95) = 62.290% kept O HA HIS+ 98 - HN HIS+ 98 16.667% * 35.9783% (0.56 10.0 2.89 23.67) = 35.978% kept HA SER 69 - HN HIS+ 98 16.667% * 1.3786% (0.52 1.0 0.82 0.02) = 1.379% kept HA ILE 101 - HN HIS+ 98 16.667% * 0.2785% (0.28 1.0 0.32 0.11) = 0.278% HA ALA 33 - HN HIS+ 98 16.667% * 0.0634% (0.15 1.0 0.13 0.02) = 0.063% HA PRO 31 - HN HIS+ 98 16.667% * 0.0111% (0.17 1.0 0.02 0.02) = 0.011% Peak 1162 (3.97, 8.60, 125.48 ppm): 3 chemical-shift based assignments, quality = 0.547, support = 0.754, residual support = 0.702: HA1 GLY 92 - HN LYS+ 20 33.333% * 94.7993% (0.57 0.79 0.74) = 94.799% kept HA LEU 74 - HN LYS+ 20 33.333% * 4.0236% (0.20 0.10 0.02) = 4.024% kept HA1 GLY 114 - HN LYS+ 20 33.333% * 1.1771% (0.28 0.02 0.02) = 1.177% kept Peak 1163 (4.69, 8.60, 125.48 ppm): 8 chemical-shift based assignments, quality = 0.629, support = 0.471, residual support = 0.392: HA GLN 16 - HN LYS+ 20 12.500% * 24.8065% (0.87 0.35 0.02) = 24.806% kept HA THR 61 - HN LYS+ 20 12.500% * 24.5902% (0.57 0.53 0.12) = 24.590% kept HA THR 39 - HN LYS+ 20 12.500% * 23.7112% (0.41 0.70 0.50) = 23.711% kept HA VAL 99 - HN LYS+ 20 12.500% * 23.0822% (0.73 0.39 1.04) = 23.082% kept HA PRO 35 - HN LYS+ 20 12.500% * 1.5006% (0.22 0.08 0.02) = 1.501% kept HA ASN 89 - HN LYS+ 20 12.500% * 1.0678% (0.65 0.02 0.02) = 1.068% kept HA TYR 83 - HN LYS+ 20 12.500% * 0.6786% (0.41 0.02 0.02) = 0.679% HA2 GLY 30 - HN LYS+ 20 12.500% * 0.5630% (0.34 0.02 0.16) = 0.563% Reference assignment not found: HA LYS+ 20 - HN LYS+ 20 Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1164 (9.46, 9.47, 124.72 ppm): 1 diagonal assignment: * HN HIS+ 98 - HN HIS+ 98 (0.76) kept Peak 1165 (8.76, 8.94, 125.29 ppm): 6 chemical-shift based assignments, quality = 0.747, support = 0.626, residual support = 1.46: T HN PHE 34 - HN ARG+ 22 16.667% * 53.2845% (1.00 10.00 0.49 1.95) = 53.284% kept T HN THR 95 - HN ARG+ 22 16.667% * 37.4944% (0.41 10.00 0.83 0.84) = 37.494% kept HN VAL 62 - HN ARG+ 22 16.667% * 5.5230% (0.97 1.00 0.52 0.10) = 5.523% kept HN ILE 101 - HN ARG+ 22 16.667% * 2.8527% (0.28 1.00 0.93 3.44) = 2.853% kept HN SER 69 - HN ARG+ 22 16.667% * 0.5432% (0.25 1.00 0.20 0.02) = 0.543% HN GLU- 56 - HN ARG+ 22 16.667% * 0.3022% (0.25 1.00 0.11 0.02) = 0.302% Peak 1166 (8.94, 8.78, 126.61 ppm): 6 chemical-shift based assignments, quality = 0.849, support = 2.84, residual support = 12.4: * T HN THR 96 - HN THR 95 16.667% * 51.6072% (0.98 10.00 4.31 17.52) = 51.607% kept T HN ARG+ 22 - HN THR 95 16.667% * 21.2306% (0.97 10.00 0.83 0.84) = 21.231% kept T HN LEU 17 - HN THR 95 16.667% * 14.8964% (0.67 10.00 0.84 1.09) = 14.896% kept T HN ILE 19 - HN THR 95 16.667% * 9.0380% (0.17 10.00 3.01 33.75) = 9.038% kept HN MET 97 - HN THR 95 16.667% * 2.0289% (0.48 1.00 1.62 0.60) = 2.029% kept HN PHE 21 - HN THR 95 16.667% * 1.1989% (0.96 1.00 0.47 0.02) = 1.199% kept Peak 1167 (7.90, 7.97, 120.59 ppm): 2 chemical-shift based assignments, quality = 0.535, support = 5.21, residual support = 27.7: * T HN LYS+ 44 - HN LEU 43 50.000% * 99.9323% (0.54 10.00 5.22 27.76) = 99.932% kept HN LEU 90 - HN LEU 43 50.000% * 0.0677% (0.36 1.00 0.02 0.02) = 0.068% Peak 1168 (7.32, 7.32, 122.31 ppm): 1 diagonal assignment: * HN VAL 47 - HN VAL 47 (0.99) kept Peak 1169 (8.73, 7.81, 122.18 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 4.01, residual support = 16.0: * T HN GLU- 56 - HN LYS+ 55 25.000% * 96.4544% (0.94 10.00 4.15 16.54) = 96.454% kept T HN VAL 62 - HN LYS+ 55 25.000% * 3.4200% (0.22 10.00 0.30 0.02) = 3.420% kept HN ILE 101 - HN LYS+ 55 25.000% * 0.0941% (0.92 1.00 0.02 0.02) = 0.094% HN VAL 40 - HN LYS+ 55 25.000% * 0.0315% (0.31 1.00 0.02 0.02) = 0.031% Peak 1170 (3.50, 7.32, 122.31 ppm): 3 chemical-shift based assignments, quality = 0.252, support = 2.51, residual support = 19.2: * HA LYS+ 44 - HN VAL 47 33.333% * 91.5147% (0.25 2.71 20.97) = 91.515% kept HA1 GLY 26 - HN VAL 47 33.333% * 6.5220% (0.15 0.31 0.02) = 6.522% kept HA1 GLY 30 - HN VAL 47 33.333% * 1.9634% (0.73 0.02 0.02) = 1.963% kept Peak 1171 (3.70, 7.79, 118.77 ppm): 3 chemical-shift based assignments, quality = 0.964, support = 0.535, residual support = 2.23: HA LYS+ 81 - HN THR 46 33.333% * 62.7144% (1.00 0.70 3.54) = 62.714% kept HB3 SER 69 - HN THR 46 33.333% * 24.9163% (0.87 0.32 0.02) = 24.916% kept HB2 TRP 51 - HN THR 46 33.333% * 12.3693% (1.00 0.14 0.02) = 12.369% kept Reference assignment not found: HA LEU 43 - HN THR 46 Peak 1172 (9.28, 8.02, 117.84 ppm): 2 chemical-shift based assignments, quality = 0.688, support = 0.784, residual support = 0.382: HN LEU 23 - HN SER 27 50.000% * 54.3046% (0.87 0.63 0.37) = 54.305% kept HN ILE 29 - HN SER 27 50.000% * 45.6954% (0.47 0.97 0.39) = 45.695% kept Peak 1173 (5.97, 9.28, 130.07 ppm): 1 chemical-shift based assignment, quality = 0.422, support = 3.65, residual support = 6.17: * HA ASP- 28 - HN LEU 23 100.000% *100.0000% (0.42 3.65 6.17) = 100.000% kept Peak 1174 (5.18, 9.30, 121.49 ppm): 1 chemical-shift based assignment, quality = 0.723, support = 5.27, residual support = 20.8: HA ARG+ 22 - HN ILE 29 100.000% *100.0000% (0.72 5.27 20.80) = 100.000% kept Peak 1175 (4.72, 8.03, 123.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1176 (3.88, 8.03, 123.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1178 (7.40, 8.74, 120.07 ppm): 2 chemical-shift based assignments, quality = 0.632, support = 3.21, residual support = 6.55: * HN GLU- 64 - HN VAL 62 50.000% * 78.7098% (0.77 2.89 3.42) = 78.710% kept HN THR 61 - HN VAL 62 50.000% * 21.2902% (0.14 4.38 18.09) = 21.290% kept Peak 1179 (8.24, 8.24, 118.99 ppm): 2 diagonal assignments: * HN LYS+ 81 - HN LYS+ 81 (0.87) kept HN THR 106 - HN THR 106 (0.56) kept Peak 1180 (3.43, 8.24, 118.99 ppm): 8 chemical-shift based assignments, quality = 0.312, support = 2.84, residual support = 7.29: * O HA VAL 80 - HN LYS+ 81 12.500% * 72.5113% (0.17 10.0 3.58 9.98) = 72.511% kept HA ILE 48 - HN LYS+ 81 12.500% * 17.1801% (0.84 1.0 0.99 0.25) = 17.180% kept HA VAL 80 - HN THR 106 12.500% * 4.3204% (0.15 1.0 1.37 0.30) = 4.320% kept HA VAL 62 - HN LYS+ 81 12.500% * 3.6769% (0.57 1.0 0.31 0.12) = 3.677% kept HA ILE 48 - HN THR 106 12.500% * 1.9520% (0.73 1.0 0.13 0.02) = 1.952% kept HA VAL 62 - HN THR 106 12.500% * 0.2066% (0.50 1.0 0.02 0.02) = 0.207% HA VAL 40 - HN LYS+ 81 12.500% * 0.0816% (0.20 1.0 0.02 0.02) = 0.082% HA VAL 40 - HN THR 106 12.500% * 0.0711% (0.17 1.0 0.02 0.02) = 0.071% Peak 1181 (2.66, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.705, support = 2.79, residual support = 13.7: HB3 ASP- 82 - HN LYS+ 81 16.667% * 77.7657% (0.74 3.32 17.41) = 77.766% kept HB3 ASP- 82 - HN THR 106 16.667% * 20.3909% (0.64 1.00 0.69) = 20.391% kept HB3 ASP- 36 - HN LYS+ 81 16.667% * 0.5171% (0.82 0.02 0.02) = 0.517% HE2 LYS+ 120 - HN LYS+ 81 16.667% * 0.4679% (0.74 0.02 0.02) = 0.468% HB3 ASP- 36 - HN THR 106 16.667% * 0.4507% (0.71 0.02 0.02) = 0.451% HE2 LYS+ 120 - HN THR 106 16.667% * 0.4078% (0.64 0.02 0.02) = 0.408% Peak 1182 (1.35, 8.24, 118.79 ppm): 21 chemical-shift based assignments, quality = 0.736, support = 3.23, residual support = 37.8: * HG3 LYS+ 81 - HN LYS+ 81 4.762% * 72.3048% (0.84 4.09 51.89) = 72.305% kept HG3 LYS+ 81 - HN THR 106 4.762% * 15.8856% (0.53 1.41 2.05) = 15.886% kept HB3 LEU 17 - HN LYS+ 81 4.762% * 4.5880% (0.77 0.28 0.02) = 4.588% kept HB2 ARG+ 22 - HN LYS+ 81 4.762% * 2.6915% (0.17 0.73 0.02) = 2.692% kept QG2 THR 39 - HN LYS+ 81 4.762% * 1.9507% (0.17 0.53 0.02) = 1.951% kept HG2 LYS+ 78 - HN LYS+ 81 4.762% * 1.2839% (0.30 0.20 0.02) = 1.284% kept HB3 LYS+ 20 - HN LYS+ 81 4.762% * 0.2567% (0.61 0.02 0.02) = 0.257% QB ALA 11 - HN LYS+ 81 4.762% * 0.2418% (0.57 0.02 0.02) = 0.242% HB3 LEU 17 - HN THR 106 4.762% * 0.2069% (0.49 0.02 0.02) = 0.207% HB3 LYS+ 20 - HN THR 106 4.762% * 0.1638% (0.39 0.02 0.02) = 0.164% QB ALA 11 - HN THR 106 4.762% * 0.1543% (0.36 0.02 0.02) = 0.154% HG2 LYS+ 78 - HN THR 106 4.762% * 0.0813% (0.19 0.02 0.02) = 0.081% QG2 THR 39 - HN THR 106 4.762% * 0.0472% (0.11 0.02 0.02) = 0.047% HB2 ARG+ 22 - HN THR 106 4.762% * 0.0472% (0.11 0.02 0.02) = 0.047% HG3 LYS+ 81 - HN GLU- 45 4.762% * 0.0234% (0.06 0.02 0.23) = 0.023% HB3 LEU 17 - HN GLU- 45 4.762% * 0.0215% (0.05 0.02 0.02) = 0.021% HB3 LYS+ 20 - HN GLU- 45 4.762% * 0.0170% (0.04 0.02 0.02) = 0.017% QB ALA 11 - HN GLU- 45 4.762% * 0.0160% (0.04 0.02 0.88) = 0.016% HG2 LYS+ 78 - HN GLU- 45 4.762% * 0.0085% (0.02 0.02 0.02) = 0.008% QG2 THR 39 - HN GLU- 45 4.762% * 0.0049% (0.01 0.02 0.02) = 0.005% HB2 ARG+ 22 - HN GLU- 45 4.762% * 0.0049% (0.01 0.02 0.02) = 0.005% Peak 1183 (1.28, 8.24, 118.79 ppm): 18 chemical-shift based assignments, quality = 0.782, support = 3.45, residual support = 32.5: * HG2 LYS+ 81 - HN LYS+ 81 5.556% * 62.0416% (0.88 4.99 51.89) = 62.042% kept HB3 LEU 74 - HN LYS+ 81 5.556% * 12.3856% (0.79 1.10 0.32) = 12.386% kept HG2 LYS+ 81 - HN THR 106 5.556% * 11.0353% (0.56 1.39 2.05) = 11.035% kept HG2 LYS+ 32 - HN LYS+ 81 5.556% * 5.2941% (0.64 0.58 0.02) = 5.294% kept HB3 LEU 74 - HN THR 106 5.556% * 3.6377% (0.51 0.51 0.02) = 3.638% kept HB2 LYS+ 55 - HN LYS+ 81 5.556% * 3.0424% (0.64 0.33 0.02) = 3.042% kept QB ALA 103 - HN LYS+ 81 5.556% * 1.7682% (0.40 0.31 0.02) = 1.768% kept HG13 ILE 101 - HN LYS+ 81 5.556% * 0.2509% (0.88 0.02 0.02) = 0.251% HG13 ILE 101 - HN THR 106 5.556% * 0.1601% (0.56 0.02 0.02) = 0.160% HG2 LYS+ 32 - HN THR 106 5.556% * 0.1163% (0.41 0.02 0.02) = 0.116% HB2 LYS+ 55 - HN THR 106 5.556% * 0.1163% (0.41 0.02 0.02) = 0.116% QB ALA 103 - HN THR 106 5.556% * 0.0718% (0.25 0.02 0.02) = 0.072% HG13 ILE 101 - HN GLU- 45 5.556% * 0.0166% (0.06 0.02 0.02) = 0.017% HG2 LYS+ 81 - HN GLU- 45 5.556% * 0.0165% (0.06 0.02 0.23) = 0.016% HB3 LEU 74 - HN GLU- 45 5.556% * 0.0149% (0.05 0.02 0.02) = 0.015% HB2 LYS+ 55 - HN GLU- 45 5.556% * 0.0121% (0.04 0.02 0.02) = 0.012% HG2 LYS+ 32 - HN GLU- 45 5.556% * 0.0121% (0.04 0.02 0.02) = 0.012% QB ALA 103 - HN GLU- 45 5.556% * 0.0075% (0.03 0.02 0.02) = 0.007% Peak 1184 (4.37, 8.28, 120.11 ppm): 22 chemical-shift based assignments, quality = 0.659, support = 1.35, residual support = 2.63: * O HA SER 88 - HN ASN 89 4.545% * 97.6998% (0.67 10.0 1.38 2.69) = 97.700% kept HA ALA 91 - HN ASN 89 4.545% * 0.7324% (0.79 1.0 0.09 0.24) = 0.732% HA LYS+ 60 - HN ASN 89 4.545% * 0.2060% (0.98 1.0 0.02 0.02) = 0.206% HA TRP 51 - HN ASN 89 4.545% * 0.2055% (0.98 1.0 0.02 0.02) = 0.205% HA ALA 37 - HN ASN 89 4.545% * 0.2019% (0.96 1.0 0.02 0.02) = 0.202% HA SER 27 - HN ASN 89 4.545% * 0.1988% (0.95 1.0 0.02 0.02) = 0.199% HB THR 61 - HN ASN 89 4.545% * 0.1847% (0.88 1.0 0.02 0.02) = 0.185% HA2 GLY 26 - HN ASN 89 4.545% * 0.1649% (0.79 1.0 0.02 0.02) = 0.165% HA ASN 57 - HN ASN 89 4.545% * 0.0636% (0.30 1.0 0.02 0.02) = 0.064% HA THR 95 - HN ASN 89 4.545% * 0.0573% (0.27 1.0 0.02 0.02) = 0.057% HA PRO 104 - HN ASN 89 4.545% * 0.0408% (0.19 1.0 0.02 0.02) = 0.041% HA LYS+ 60 - HN GLU- 12 4.545% * 0.0309% (0.15 1.0 0.02 0.02) = 0.031% HA TRP 51 - HN GLU- 12 4.545% * 0.0308% (0.15 1.0 0.02 0.02) = 0.031% HA ALA 37 - HN GLU- 12 4.545% * 0.0303% (0.14 1.0 0.02 0.02) = 0.030% HA SER 27 - HN GLU- 12 4.545% * 0.0298% (0.14 1.0 0.02 0.02) = 0.030% HB THR 61 - HN GLU- 12 4.545% * 0.0277% (0.13 1.0 0.02 0.02) = 0.028% HA2 GLY 26 - HN GLU- 12 4.545% * 0.0247% (0.12 1.0 0.02 0.02) = 0.025% HA ALA 91 - HN GLU- 12 4.545% * 0.0247% (0.12 1.0 0.02 0.14) = 0.025% HA SER 88 - HN GLU- 12 4.545% * 0.0212% (0.10 1.0 0.02 0.02) = 0.021% HA ASN 57 - HN GLU- 12 4.545% * 0.0095% (0.05 1.0 0.02 0.02) = 0.010% HA THR 95 - HN GLU- 12 4.545% * 0.0086% (0.04 1.0 0.02 0.02) = 0.009% HA PRO 104 - HN GLU- 12 4.545% * 0.0061% (0.03 1.0 0.02 0.02) = 0.006% Peak 1186 (8.30, 8.29, 124.59 ppm): 1 diagonal assignment: * HN ALA 91 - HN ALA 91 (0.91) kept Peak 1188 (4.91, 8.96, 124.53 ppm): 6 chemical-shift based assignments, quality = 0.0832, support = 4.13, residual support = 62.0: O HA ILE 19 - HN ILE 19 16.667% * 61.5216% (0.06 10.0 5.39 96.53) = 61.522% kept HA ILE 19 - HN LEU 17 16.667% * 14.4075% (0.18 1.0 1.62 13.75) = 14.408% kept HA ALA 33 - HN LEU 17 16.667% * 9.2491% (0.15 1.0 1.18 0.69) = 9.249% kept HA ALA 33 - HN ILE 19 16.667% * 8.1599% (0.05 1.0 3.01 2.65) = 8.160% kept HA ILE 19 - HN THR 96 16.667% * 6.3105% (0.03 1.0 3.62 5.70) = 6.311% kept HA ALA 33 - HN THR 96 16.667% * 0.3514% (0.03 1.0 0.23 0.02) = 0.351% Peak 1189 (4.36, 8.96, 124.53 ppm): 24 chemical-shift based assignments, quality = 0.476, support = 0.593, residual support = 0.255: HA SER 27 - HN LEU 17 4.167% * 26.1250% (0.69 0.56 0.14) = 26.125% kept HB THR 61 - HN ILE 19 4.167% * 22.2137% (0.36 0.93 0.47) = 22.214% kept HA SER 88 - HN LEU 17 4.167% * 17.4164% (0.34 0.76 0.32) = 17.416% kept HA LYS+ 60 - HN ILE 19 4.167% * 12.6602% (0.30 0.63 0.42) = 12.660% kept HA2 GLY 26 - HN LEU 17 4.167% * 7.9389% (1.00 0.12 0.02) = 7.939% kept HA LYS+ 60 - HN THR 96 4.167% * 4.2248% (0.16 0.40 0.02) = 4.225% kept HB THR 61 - HN LEU 17 4.167% * 1.3344% (0.99 0.02 0.02) = 1.334% kept HB THR 61 - HN THR 96 4.167% * 1.2086% (0.19 0.10 0.02) = 1.209% kept HA TRP 51 - HN LEU 17 4.167% * 1.1678% (0.87 0.02 0.16) = 1.168% kept HA LYS+ 60 - HN LEU 17 4.167% * 1.1245% (0.83 0.02 0.02) = 1.125% kept HA ALA 37 - HN LEU 17 4.167% * 0.9776% (0.72 0.02 0.02) = 0.978% HA ALA 91 - HN LEU 17 4.167% * 0.6036% (0.45 0.02 0.47) = 0.604% HA2 GLY 26 - HN ILE 19 4.167% * 0.4823% (0.36 0.02 0.02) = 0.482% HA TRP 51 - HN ILE 19 4.167% * 0.4193% (0.31 0.02 0.02) = 0.419% HA ALA 37 - HN ILE 19 4.167% * 0.3510% (0.26 0.02 0.02) = 0.351% HA SER 27 - HN ILE 19 4.167% * 0.3320% (0.25 0.02 0.02) = 0.332% HA2 GLY 26 - HN THR 96 4.167% * 0.2547% (0.19 0.02 0.02) = 0.255% HA TRP 51 - HN THR 96 4.167% * 0.2214% (0.16 0.02 0.02) = 0.221% HA ALA 91 - HN ILE 19 4.167% * 0.2167% (0.16 0.02 0.02) = 0.217% HA ALA 37 - HN THR 96 4.167% * 0.1854% (0.14 0.02 0.02) = 0.185% HA SER 27 - HN THR 96 4.167% * 0.1754% (0.13 0.02 0.02) = 0.175% HA SER 88 - HN ILE 19 4.167% * 0.1649% (0.12 0.02 0.02) = 0.165% HA ALA 91 - HN THR 96 4.167% * 0.1145% (0.08 0.02 0.02) = 0.114% HA SER 88 - HN THR 96 4.167% * 0.0871% (0.06 0.02 0.02) = 0.087% Peak 1190 (8.30, 8.30, 121.53 ppm): 1 diagonal assignment: * HN VAL 99 - HN VAL 99 (0.63) kept Peak 1191 (1.35, 8.30, 121.53 ppm): 6 chemical-shift based assignments, quality = 0.483, support = 1.64, residual support = 2.17: HB3 LYS+ 20 - HN VAL 99 16.667% * 31.2142% (0.43 2.27 1.04) = 31.214% kept HB3 LEU 17 - HN VAL 99 16.667% * 24.4934% (0.60 1.29 0.32) = 24.493% kept HB2 ARG+ 22 - HN VAL 99 16.667% * 18.4175% (0.25 2.29 9.22) = 18.417% kept HG3 LYS+ 81 - HN VAL 99 16.667% * 17.9493% (0.69 0.82 0.36) = 17.949% kept QB ALA 11 - HN VAL 99 16.667% * 7.8094% (0.40 0.61 0.02) = 7.809% kept HG2 LYS+ 78 - HN VAL 99 16.667% * 0.1162% (0.18 0.02 0.02) = 0.116% Peak 1192 (1.21, 8.30, 121.53 ppm): 3 chemical-shift based assignments, quality = 0.709, support = 2.77, residual support = 11.0: HB3 ARG+ 22 - HN VAL 99 33.333% * 54.8962% (0.79 2.76 9.22) = 54.896% kept * HG12 ILE 100 - HN VAL 99 33.333% * 43.4017% (0.60 2.90 13.75) = 43.402% kept HB2 LEU 67 - HN VAL 99 33.333% * 1.7021% (0.82 0.08 0.42) = 1.702% kept Peak 1195 (4.76, 8.25, 118.98 ppm): 2 chemical-shift based assignments, quality = 0.445, support = 0.714, residual support = 1.1: HA ASN 15 - HN THR 106 50.000% * 58.2474% (0.52 0.69 1.30) = 58.247% kept HA ASN 15 - HN LYS+ 81 50.000% * 41.7526% (0.34 0.75 0.82) = 41.753% kept Peak 1196 (1.38, 8.34, 121.70 ppm): 24 chemical-shift based assignments, quality = 0.0898, support = 2.08, residual support = 4.81: HG13 ILE 100 - HN VAL 99 4.167% * 32.4126% (0.05 4.10 13.75) = 32.413% kept HB3 LYS+ 20 - HN VAL 99 4.167% * 23.2812% (0.07 2.27 1.04) = 23.281% kept HB3 LEU 17 - HN VAL 99 4.167% * 8.3930% (0.04 1.29 0.32) = 8.393% kept QB ALA 11 - HN VAL 99 4.167% * 6.8050% (0.07 0.61 0.02) = 6.805% kept HD3 LYS+ 20 - HN VAL 99 4.167% * 6.7173% (0.10 0.44 1.04) = 6.717% kept HG13 ILE 100 - HN GLU- 109 4.167% * 4.1463% (0.21 0.12 0.02) = 4.146% kept HG3 LYS+ 81 - HN VAL 99 4.167% * 3.8570% (0.03 0.82 0.36) = 3.857% kept QB ALA 93 - HN VAL 99 4.167% * 2.2937% (0.05 0.29 0.02) = 2.294% kept HG13 ILE 68 - HN GLU- 109 4.167% * 1.7828% (0.57 0.02 0.02) = 1.783% kept QG2 THR 39 - HN GLU- 109 4.167% * 1.7243% (0.55 0.02 0.02) = 1.724% kept HG2 LYS+ 78 - HN GLU- 109 4.167% * 1.4924% (0.48 0.02 0.02) = 1.492% kept HD3 LYS+ 20 - HN GLU- 109 4.167% * 1.2974% (0.41 0.02 0.02) = 1.297% kept QB ALA 11 - HN GLU- 109 4.167% * 0.9400% (0.30 0.02 0.02) = 0.940% HB3 LYS+ 20 - HN GLU- 109 4.167% * 0.8697% (0.28 0.02 0.02) = 0.870% QB ALA 93 - HN GLU- 109 4.167% * 0.6706% (0.21 0.02 0.02) = 0.671% HG LEU 67 - HN GLU- 109 4.167% * 0.6095% (0.19 0.02 0.02) = 0.609% HB3 LEU 17 - HN GLU- 109 4.167% * 0.5515% (0.18 0.02 0.02) = 0.551% HG13 ILE 68 - HN VAL 99 4.167% * 0.4199% (0.13 0.02 0.02) = 0.420% QG2 THR 39 - HN VAL 99 4.167% * 0.4061% (0.13 0.02 0.02) = 0.406% HG3 LYS+ 81 - HN GLU- 109 4.167% * 0.3978% (0.13 0.02 0.02) = 0.398% QB ALA 37 - HN GLU- 109 4.167% * 0.3536% (0.11 0.02 0.02) = 0.354% HG2 LYS+ 78 - HN VAL 99 4.167% * 0.3515% (0.11 0.02 0.02) = 0.352% HG LEU 67 - HN VAL 99 4.167% * 0.1436% (0.05 0.02 0.42) = 0.144% QB ALA 37 - HN VAL 99 4.167% * 0.0833% (0.03 0.02 0.02) = 0.083% Peak 1197 (4.78, 8.06, 119.92 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 0.98, residual support = 5.04: O HA ASN 15 - HN ASN 15 25.000% * 97.4195% (0.99 10.0 1.00 5.17) = 97.419% kept HA ASN 15 - HN MET 118 25.000% * 2.4348% (0.97 1.0 0.26 0.02) = 2.435% kept HA LEU 23 - HN ASN 15 25.000% * 0.0738% (0.37 1.0 0.02 0.02) = 0.074% HA LEU 23 - HN MET 118 25.000% * 0.0719% (0.37 1.0 0.02 0.02) = 0.072% Reference assignment not found: HA MET 118 - HN MET 118 Peak 1198 (4.42, 8.06, 119.92 ppm): 22 chemical-shift based assignments, quality = 0.663, support = 1.11, residual support = 1.95: O HA HIS+ 14 - HN ASN 15 4.545% * 72.1281% (0.83 10.0 1.00 1.56) = 72.128% kept O HA MET 118 - HN MET 118 4.545% * 21.8605% (0.15 10.0 1.68 3.77) = 21.861% kept HA PRO 116 - HN MET 118 4.545% * 2.8537% (0.59 1.0 0.56 0.02) = 2.854% kept HA HIS+ 14 - HN MET 118 4.545% * 1.4670% (0.81 1.0 0.21 0.02) = 1.467% kept HA LYS+ 66 - HN ASN 15 4.545% * 0.1693% (0.98 1.0 0.02 0.02) = 0.169% HA LYS+ 66 - HN MET 118 4.545% * 0.1650% (0.95 1.0 0.02 0.02) = 0.165% HA LYS+ 111 - HN ASN 15 4.545% * 0.1383% (0.80 1.0 0.02 0.02) = 0.138% HA LYS+ 111 - HN MET 118 4.545% * 0.1348% (0.78 1.0 0.02 0.02) = 0.135% HB THR 24 - HN ASN 15 4.545% * 0.1320% (0.76 1.0 0.02 0.23) = 0.132% HB THR 24 - HN MET 118 4.545% * 0.1287% (0.74 1.0 0.02 0.02) = 0.129% HA PRO 86 - HN ASN 15 4.545% * 0.1186% (0.69 1.0 0.02 0.02) = 0.119% HA PRO 86 - HN MET 118 4.545% * 0.1157% (0.67 1.0 0.02 0.02) = 0.116% HA PRO 116 - HN ASN 15 4.545% * 0.1048% (0.61 1.0 0.02 0.02) = 0.105% HA PRO 112 - HN ASN 15 4.545% * 0.0909% (0.53 1.0 0.02 0.02) = 0.091% HA PRO 112 - HN MET 118 4.545% * 0.0886% (0.51 1.0 0.02 0.02) = 0.089% HA PRO 104 - HN ASN 15 4.545% * 0.0589% (0.34 1.0 0.02 0.02) = 0.059% HA PRO 104 - HN MET 118 4.545% * 0.0574% (0.33 1.0 0.02 0.02) = 0.057% HA THR 95 - HN ASN 15 4.545% * 0.0431% (0.25 1.0 0.02 0.02) = 0.043% HA THR 95 - HN MET 118 4.545% * 0.0420% (0.24 1.0 0.02 0.02) = 0.042% HA ASN 57 - HN ASN 15 4.545% * 0.0385% (0.22 1.0 0.02 0.02) = 0.038% HA ASN 57 - HN MET 118 4.545% * 0.0375% (0.22 1.0 0.02 0.02) = 0.037% HA MET 118 - HN ASN 15 4.545% * 0.0266% (0.15 1.0 0.02 0.02) = 0.027% Peak 1199 (4.20, 8.06, 119.92 ppm): 12 chemical-shift based assignments, quality = 0.548, support = 0.527, residual support = 0.552: HA GLU- 12 - HN MET 118 8.333% * 30.2037% (0.44 0.75 0.65) = 30.204% kept HA GLU- 12 - HN ASN 15 8.333% * 29.1954% (0.45 0.71 1.19) = 29.195% kept HB3 SER 49 - HN MET 118 8.333% * 23.4235% (0.73 0.35 0.02) = 23.423% kept HA ASP- 82 - HN MET 118 8.333% * 10.1421% (0.87 0.13 0.02) = 10.142% kept HA ASP- 82 - HN ASN 15 8.333% * 1.6549% (0.90 0.02 0.02) = 1.655% kept HB3 SER 49 - HN ASN 15 8.333% * 1.3871% (0.75 0.02 0.02) = 1.387% kept HA VAL 65 - HN ASN 15 8.333% * 0.8982% (0.49 0.02 0.02) = 0.898% HA VAL 65 - HN MET 118 8.333% * 0.8757% (0.47 0.02 0.02) = 0.876% HA VAL 73 - HN ASN 15 8.333% * 0.7586% (0.41 0.02 0.02) = 0.759% HA VAL 73 - HN MET 118 8.333% * 0.7396% (0.40 0.02 0.02) = 0.740% HA GLU- 109 - HN ASN 15 8.333% * 0.3652% (0.20 0.02 0.02) = 0.365% HA GLU- 109 - HN MET 118 8.333% * 0.3560% (0.19 0.02 0.02) = 0.356% Reference assignment not found: HA LYS+ 117 - HN MET 118 Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1200 (2.00, 8.06, 119.92 ppm): 34 chemical-shift based assignments, quality = 0.764, support = 1.6, residual support = 3.5: * O HB3 MET 118 - HN MET 118 2.941% * 90.1284% (0.78 10.0 1.68 3.77) = 90.128% kept HB2 HIS+ 14 - HN ASN 15 2.941% * 6.5784% (0.80 1.0 1.20 1.56) = 6.578% kept HB2 HIS+ 14 - HN MET 118 2.941% * 1.1173% (0.78 1.0 0.21 0.02) = 1.117% kept HB VAL 73 - HN MET 118 2.941% * 0.4634% (0.22 1.0 0.31 0.02) = 0.463% HB3 MET 118 - HN ASN 15 2.941% * 0.1099% (0.80 1.0 0.02 0.02) = 0.110% HB2 LYS+ 108 - HN ASN 15 2.941% * 0.1049% (0.76 1.0 0.02 0.02) = 0.105% HB2 LYS+ 108 - HN MET 118 2.941% * 0.1022% (0.74 1.0 0.02 0.02) = 0.102% HG3 PRO 112 - HN ASN 15 2.941% * 0.0996% (0.73 1.0 0.02 0.02) = 0.100% HG3 PRO 112 - HN MET 118 2.941% * 0.0971% (0.71 1.0 0.02 0.02) = 0.097% HB2 GLU- 18 - HN ASN 15 2.941% * 0.0942% (0.69 1.0 0.02 0.02) = 0.094% HB2 GLU- 18 - HN MET 118 2.941% * 0.0919% (0.67 1.0 0.02 0.02) = 0.092% HB2 PRO 86 - HN ASN 15 2.941% * 0.0777% (0.57 1.0 0.02 0.02) = 0.078% HB2 PRO 86 - HN MET 118 2.941% * 0.0757% (0.55 1.0 0.02 0.02) = 0.076% HG2 PRO 112 - HN ASN 15 2.941% * 0.0728% (0.53 1.0 0.02 0.02) = 0.073% HG2 PRO 112 - HN MET 118 2.941% * 0.0710% (0.52 1.0 0.02 0.02) = 0.071% HG2 PRO 116 - HN ASN 15 2.941% * 0.0615% (0.45 1.0 0.02 0.02) = 0.062% HG2 PRO 116 - HN MET 118 2.941% * 0.0600% (0.44 1.0 0.02 0.02) = 0.060% HB3 GLU- 107 - HN ASN 15 2.941% * 0.0564% (0.41 1.0 0.02 0.02) = 0.056% HB3 GLU- 107 - HN MET 118 2.941% * 0.0550% (0.40 1.0 0.02 0.02) = 0.055% HB3 GLU- 56 - HN ASN 15 2.941% * 0.0515% (0.37 1.0 0.02 0.02) = 0.051% HB3 GLU- 56 - HN MET 118 2.941% * 0.0502% (0.37 1.0 0.02 0.02) = 0.050% HG3 PRO 104 - HN ASN 15 2.941% * 0.0381% (0.28 1.0 0.02 0.02) = 0.038% HG3 PRO 104 - HN MET 118 2.941% * 0.0372% (0.27 1.0 0.02 0.02) = 0.037% HB3 PRO 31 - HN ASN 15 2.941% * 0.0342% (0.25 1.0 0.02 0.02) = 0.034% HB3 PRO 31 - HN MET 118 2.941% * 0.0334% (0.24 1.0 0.02 0.02) = 0.033% HB3 GLU- 75 - HN ASN 15 2.941% * 0.0321% (0.23 1.0 0.02 0.02) = 0.032% HB3 GLU- 75 - HN MET 118 2.941% * 0.0313% (0.23 1.0 0.02 0.02) = 0.031% HB VAL 73 - HN ASN 15 2.941% * 0.0305% (0.22 1.0 0.02 0.02) = 0.031% HB3 GLU- 10 - HN ASN 15 2.941% * 0.0272% (0.20 1.0 0.02 0.02) = 0.027% HB3 GLU- 64 - HN ASN 15 2.941% * 0.0272% (0.20 1.0 0.02 0.02) = 0.027% HB3 GLU- 10 - HN MET 118 2.941% * 0.0265% (0.19 1.0 0.02 0.02) = 0.026% HB3 GLU- 64 - HN MET 118 2.941% * 0.0265% (0.19 1.0 0.02 0.02) = 0.026% HB3 GLU- 54 - HN ASN 15 2.941% * 0.0186% (0.14 1.0 0.02 0.02) = 0.019% HB3 GLU- 54 - HN MET 118 2.941% * 0.0181% (0.13 1.0 0.02 0.02) = 0.018% Peak 1201 (1.81, 8.06, 119.92 ppm): 20 chemical-shift based assignments, quality = 0.663, support = 0.81, residual support = 0.532: HD3 LYS+ 117 - HN MET 118 5.000% * 63.1043% (0.67 1.22 0.83) = 63.104% kept HB3 LYS+ 63 - HN MET 118 5.000% * 11.6596% (0.74 0.20 0.02) = 11.660% kept HD3 LYS+ 72 - HN MET 118 5.000% * 5.1169% (0.84 0.08 0.02) = 5.117% kept HG3 LYS+ 63 - HN MET 118 5.000% * 3.5640% (0.33 0.14 0.02) = 3.564% kept HG2 PRO 31 - HN MET 118 5.000% * 3.0229% (0.37 0.11 0.02) = 3.023% kept HB2 GLU- 109 - HN ASN 15 5.000% * 1.4582% (0.94 0.02 0.02) = 1.458% kept HB2 GLU- 109 - HN MET 118 5.000% * 1.4217% (0.92 0.02 0.02) = 1.422% kept HD3 LYS+ 72 - HN ASN 15 5.000% * 1.3371% (0.87 0.02 0.02) = 1.337% kept HB3 LYS+ 108 - HN ASN 15 5.000% * 1.1780% (0.76 0.02 0.02) = 1.178% kept HB3 LYS+ 63 - HN ASN 15 5.000% * 1.1780% (0.76 0.02 0.02) = 1.178% kept HB3 LYS+ 108 - HN MET 118 5.000% * 1.1485% (0.74 0.02 0.02) = 1.149% kept HG3 LYS+ 108 - HN ASN 15 5.000% * 1.1194% (0.73 0.02 0.02) = 1.119% kept HG3 LYS+ 108 - HN MET 118 5.000% * 1.0913% (0.71 0.02 0.02) = 1.091% kept HD3 LYS+ 117 - HN ASN 15 5.000% * 1.0589% (0.69 0.02 0.02) = 1.059% kept HG2 PRO 31 - HN ASN 15 5.000% * 0.5785% (0.37 0.02 0.02) = 0.579% HG3 LYS+ 63 - HN ASN 15 5.000% * 0.5258% (0.34 0.02 0.02) = 0.526% HB2 PRO 59 - HN ASN 15 5.000% * 0.3844% (0.25 0.02 0.02) = 0.384% HB2 PRO 59 - HN MET 118 5.000% * 0.3747% (0.24 0.02 0.02) = 0.375% HG3 ARG+ 53 - HN ASN 15 5.000% * 0.3432% (0.22 0.02 0.02) = 0.343% HG3 ARG+ 53 - HN MET 118 5.000% * 0.3346% (0.22 0.02 0.02) = 0.335% Reference assignment not found: HB3 LYS+ 117 - HN MET 118 Peak 1202 (2.10, 8.06, 119.92 ppm): 30 chemical-shift based assignments, quality = 0.931, support = 1.63, residual support = 3.57: * O HB2 MET 118 - HN MET 118 3.333% * 94.3374% (0.97 10.0 1.68 3.77) = 94.337% kept HG2 GLN 16 - HN ASN 15 3.333% * 3.6827% (0.57 1.0 1.12 0.30) = 3.683% kept HB3 GLU- 75 - HN ASN 15 3.333% * 0.1160% (1.00 1.0 0.02 0.02) = 0.116% HB2 MET 118 - HN ASN 15 3.333% * 0.1150% (0.99 1.0 0.02 0.02) = 0.115% HB VAL 65 - HN ASN 15 3.333% * 0.1137% (0.98 1.0 0.02 0.02) = 0.114% HB3 GLU- 75 - HN MET 118 3.333% * 0.1131% (0.97 1.0 0.02 0.02) = 0.113% HB VAL 65 - HN MET 118 3.333% * 0.1109% (0.95 1.0 0.02 0.02) = 0.111% HB VAL 125 - HN ASN 15 3.333% * 0.1071% (0.92 1.0 0.02 0.02) = 0.107% HB VAL 125 - HN MET 118 3.333% * 0.1044% (0.90 1.0 0.02 0.02) = 0.104% HB2 LYS+ 110 - HN ASN 15 3.333% * 0.1006% (0.87 1.0 0.02 0.02) = 0.101% HB2 LYS+ 110 - HN MET 118 3.333% * 0.0981% (0.84 1.0 0.02 0.02) = 0.098% HG2 PRO 112 - HN ASN 15 3.333% * 0.0953% (0.82 1.0 0.02 0.02) = 0.095% HD3 LYS+ 110 - HN ASN 15 3.333% * 0.0929% (0.80 1.0 0.02 0.02) = 0.093% HG2 PRO 112 - HN MET 118 3.333% * 0.0929% (0.80 1.0 0.02 0.02) = 0.093% HD3 LYS+ 110 - HN MET 118 3.333% * 0.0906% (0.78 1.0 0.02 0.02) = 0.091% HB3 LEU 43 - HN ASN 15 3.333% * 0.0751% (0.65 1.0 0.02 0.02) = 0.075% HB3 LEU 43 - HN MET 118 3.333% * 0.0732% (0.63 1.0 0.02 0.02) = 0.073% HG2 GLN 16 - HN MET 118 3.333% * 0.0640% (0.55 1.0 0.02 0.02) = 0.064% HB VAL 87 - HN ASN 15 3.333% * 0.0477% (0.41 1.0 0.02 1.41) = 0.048% HB3 LYS+ 120 - HN ASN 15 3.333% * 0.0477% (0.41 1.0 0.02 0.02) = 0.048% HB VAL 87 - HN MET 118 3.333% * 0.0465% (0.40 1.0 0.02 0.02) = 0.047% HB3 LYS+ 120 - HN MET 118 3.333% * 0.0465% (0.40 1.0 0.02 0.02) = 0.047% HB2 GLU- 56 - HN ASN 15 3.333% * 0.0435% (0.37 1.0 0.02 0.02) = 0.044% HB2 GLU- 56 - HN MET 118 3.333% * 0.0425% (0.37 1.0 0.02 0.02) = 0.042% HB ILE 101 - HN ASN 15 3.333% * 0.0289% (0.25 1.0 0.02 0.02) = 0.029% HB ILE 101 - HN MET 118 3.333% * 0.0282% (0.24 1.0 0.02 0.02) = 0.028% HB VAL 105 - HN ASN 15 3.333% * 0.0230% (0.20 1.0 0.02 0.02) = 0.023% HB VAL 105 - HN MET 118 3.333% * 0.0224% (0.19 1.0 0.02 0.02) = 0.022% HB VAL 62 - HN ASN 15 3.333% * 0.0203% (0.17 1.0 0.02 0.02) = 0.020% HB VAL 62 - HN MET 118 3.333% * 0.0198% (0.17 1.0 0.02 0.02) = 0.020% Peak 1203 (8.26, 8.26, 120.16 ppm): 2 diagonal assignments: HN GLU- 12 - HN GLU- 12 (0.45) kept HN ASN 89 - HN ASN 89 (0.23) kept Peak 1204 (4.78, 8.26, 120.16 ppm): 4 chemical-shift based assignments, quality = 0.573, support = 0.91, residual support = 0.69: HA ASN 15 - HN GLU- 12 25.000% * 44.0458% (0.69 1.00 1.19) = 44.046% kept HA ASN 15 - HN ASN 89 25.000% * 36.7042% (0.59 0.97 0.44) = 36.704% kept HA LEU 23 - HN GLU- 12 25.000% * 12.6028% (0.29 0.68 0.02) = 12.603% kept HA LEU 23 - HN ASN 89 25.000% * 6.6473% (0.25 0.42 0.02) = 6.647% kept Peak 1207 (8.49, 8.49, 124.44 ppm): 3 diagonal assignments: HN GLU- 10 - HN GLU- 10 (0.84) kept * HN GLU- 18 - HN GLU- 18 (0.67) kept HN GLU- 107 - HN GLU- 107 (0.04) kept Peak 1208 (4.82, 8.49, 124.44 ppm): 9 chemical-shift based assignments, quality = 0.787, support = 5.76, residual support = 52.0: * O HA GLU- 18 - HN GLU- 18 11.111% * 96.5459% (0.80 10.0 5.95 53.83) = 96.546% kept HA LEU 23 - HN GLU- 10 11.111% * 2.2784% (0.63 1.0 0.60 0.02) = 2.278% kept HA LEU 23 - HN GLU- 18 11.111% * 0.8099% (0.58 1.0 0.23 0.02) = 0.810% HB THR 39 - HN GLU- 10 11.111% * 0.1051% (0.87 1.0 0.02 0.02) = 0.105% HA GLU- 18 - HN GLU- 10 11.111% * 0.1049% (0.87 1.0 0.02 0.02) = 0.105% HB THR 39 - HN GLU- 18 11.111% * 0.0968% (0.80 1.0 0.02 0.02) = 0.097% HB THR 39 - HN GLU- 107 11.111% * 0.0217% (0.18 1.0 0.02 0.02) = 0.022% HA GLU- 18 - HN GLU- 107 11.111% * 0.0216% (0.18 1.0 0.02 0.02) = 0.022% HA LEU 23 - HN GLU- 107 11.111% * 0.0157% (0.13 1.0 0.02 0.02) = 0.016% Peak 1209 (4.38, 8.93, 124.84 ppm): 24 chemical-shift based assignments, quality = 0.311, support = 3.13, residual support = 15.8: * O HA THR 95 - HN THR 96 4.167% * 90.3757% (0.30 10.0 3.43 17.52) = 90.376% kept HA LYS+ 60 - HN THR 96 4.167% * 4.6766% (0.79 1.0 0.40 0.02) = 4.677% kept HA SER 88 - HN LEU 17 4.167% * 1.1246% (0.10 1.0 0.76 0.32) = 1.125% kept HA SER 27 - HN LEU 17 4.167% * 1.0439% (0.12 1.0 0.56 0.14) = 1.044% kept HB THR 61 - HN THR 96 4.167% * 0.9211% (0.64 1.0 0.10 0.02) = 0.921% HA ALA 37 - HN THR 96 4.167% * 0.2408% (0.80 1.0 0.02 0.02) = 0.241% HA SER 27 - HN THR 96 4.167% * 0.2403% (0.80 1.0 0.02 0.02) = 0.240% HA TRP 51 - HN THR 96 4.167% * 0.2324% (0.77 1.0 0.02 0.02) = 0.232% HA ALA 91 - HN THR 96 4.167% * 0.2160% (0.72 1.0 0.02 0.02) = 0.216% HA SER 88 - HN THR 96 4.167% * 0.1928% (0.64 1.0 0.02 0.02) = 0.193% HA2 GLY 26 - HN THR 96 4.167% * 0.1654% (0.55 1.0 0.02 0.02) = 0.165% HA2 GLY 26 - HN LEU 17 4.167% * 0.1503% (0.08 1.0 0.12 0.02) = 0.150% HA ASN 57 - HN THR 96 4.167% * 0.0990% (0.33 1.0 0.02 0.02) = 0.099% HA PRO 104 - HN THR 96 4.167% * 0.0670% (0.22 1.0 0.02 0.02) = 0.067% HA PRO 112 - HN THR 96 4.167% * 0.0372% (0.12 1.0 0.02 0.02) = 0.037% HA ALA 37 - HN LEU 17 4.167% * 0.0370% (0.12 1.0 0.02 0.02) = 0.037% HA LYS+ 60 - HN LEU 17 4.167% * 0.0363% (0.12 1.0 0.02 0.02) = 0.036% HA TRP 51 - HN LEU 17 4.167% * 0.0357% (0.12 1.0 0.02 0.16) = 0.036% HA ALA 91 - HN LEU 17 4.167% * 0.0332% (0.11 1.0 0.02 0.47) = 0.033% HB THR 61 - HN LEU 17 4.167% * 0.0297% (0.10 1.0 0.02 0.02) = 0.030% HA ASN 57 - HN LEU 17 4.167% * 0.0152% (0.05 1.0 0.02 0.02) = 0.015% HA THR 95 - HN LEU 17 4.167% * 0.0139% (0.05 1.0 0.02 1.09) = 0.014% HA PRO 104 - HN LEU 17 4.167% * 0.0103% (0.03 1.0 0.02 0.02) = 0.010% HA PRO 112 - HN LEU 17 4.167% * 0.0057% (0.02 1.0 0.02 0.02) = 0.006% Peak 1210 (8.76, 8.96, 124.78 ppm): 18 chemical-shift based assignments, quality = 0.526, support = 2.71, residual support = 37.5: * T HN PHE 34 - HN ILE 19 5.556% * 49.8622% (0.75 10.00 2.33 54.24) = 49.862% kept T HN THR 95 - HN ILE 19 5.556% * 20.5446% (0.31 10.00 3.01 33.75) = 20.545% kept T HN THR 95 - HN THR 96 5.556% * 20.0451% (0.30 10.00 4.31 17.52) = 20.045% kept T HN THR 95 - HN LEU 17 5.556% * 5.0091% (0.18 10.00 0.84 1.09) = 5.009% kept HN VAL 62 - HN ILE 19 5.556% * 2.3285% (0.73 1.00 0.97 0.12) = 2.328% kept HN VAL 62 - HN THR 96 5.556% * 0.8525% (0.71 1.00 0.36 0.02) = 0.852% T HN PHE 34 - HN THR 96 5.556% * 0.4865% (0.73 10.00 0.02 0.02) = 0.486% HN SER 69 - HN ILE 19 5.556% * 0.4184% (0.19 1.00 0.67 0.13) = 0.418% T HN PHE 34 - HN LEU 17 5.556% * 0.2893% (0.44 10.00 0.02 0.02) = 0.289% HN ILE 101 - HN THR 96 5.556% * 0.0626% (0.20 1.00 0.09 0.02) = 0.063% HN VAL 62 - HN LEU 17 5.556% * 0.0280% (0.42 1.00 0.02 0.02) = 0.028% HN ILE 101 - HN ILE 19 5.556% * 0.0139% (0.21 1.00 0.02 0.02) = 0.014% HN GLU- 56 - HN ILE 19 5.556% * 0.0125% (0.19 1.00 0.02 0.02) = 0.012% HN SER 69 - HN THR 96 5.556% * 0.0122% (0.18 1.00 0.02 0.02) = 0.012% HN GLU- 56 - HN THR 96 5.556% * 0.0122% (0.18 1.00 0.02 0.02) = 0.012% HN ILE 101 - HN LEU 17 5.556% * 0.0081% (0.12 1.00 0.02 0.02) = 0.008% HN GLU- 56 - HN LEU 17 5.556% * 0.0072% (0.11 1.00 0.02 0.02) = 0.007% HN SER 69 - HN LEU 17 5.556% * 0.0072% (0.11 1.00 0.02 0.02) = 0.007% Peak 1213 (1.70, 8.96, 124.78 ppm): 15 chemical-shift based assignments, quality = 0.424, support = 3.91, residual support = 54.7: * HG13 ILE 19 - HN ILE 19 6.667% * 51.4787% (0.49 5.45 96.53) = 51.479% kept HG13 ILE 19 - HN THR 96 6.667% * 21.2755% (0.48 2.31 5.70) = 21.275% kept HB2 GLN 16 - HN LEU 17 6.667% * 15.1833% (0.23 3.41 18.76) = 15.183% kept HG13 ILE 19 - HN LEU 17 6.667% * 6.4861% (0.28 1.18 13.75) = 6.486% kept HB2 GLN 16 - HN ILE 19 6.667% * 3.2690% (0.40 0.43 1.50) = 3.269% kept HB2 GLN 16 - HN THR 96 6.667% * 1.1701% (0.39 0.16 0.02) = 1.170% kept HG2 PRO 52 - HN ILE 19 6.667% * 0.2337% (0.60 0.02 0.02) = 0.234% HG2 PRO 52 - HN THR 96 6.667% * 0.2280% (0.59 0.02 0.02) = 0.228% HD3 LYS+ 55 - HN ILE 19 6.667% * 0.1535% (0.40 0.02 0.02) = 0.154% HD3 LYS+ 55 - HN THR 96 6.667% * 0.1498% (0.39 0.02 0.02) = 0.150% HG2 PRO 52 - HN LEU 17 6.667% * 0.1356% (0.35 0.02 2.64) = 0.136% HD3 LYS+ 55 - HN LEU 17 6.667% * 0.0891% (0.23 0.02 0.02) = 0.089% HB3 LYS+ 81 - HN ILE 19 6.667% * 0.0578% (0.15 0.02 0.02) = 0.058% HB3 LYS+ 81 - HN THR 96 6.667% * 0.0564% (0.15 0.02 0.02) = 0.056% HB3 LYS+ 81 - HN LEU 17 6.667% * 0.0335% (0.09 0.02 0.02) = 0.034% Peak 1215 (7.37, 6.64, 110.39 ppm): 1 chemical-shift based assignment, quality = 0.447, support = 1.46, residual support = 27.6: O T HE22 GLN 102 - HE21 GLN 102 100.000% *100.0000% (0.45 10.0 10.00 1.46 27.58) = 100.000% kept Peak 1216 (2.16, 6.81, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1217 (2.17, 7.31, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1218 (2.21, 7.37, 110.39 ppm): 14 chemical-shift based assignments, quality = 0.274, support = 1.62, residual support = 25.7: O HG3 GLN 102 - HE22 GLN 102 7.143% * 93.0876% (0.27 10.0 1.72 27.58) = 93.088% kept HG2 PRO 112 - HE22 GLN 102 7.143% * 3.1156% (0.45 1.0 0.35 0.02) = 3.116% kept HG3 GLU- 18 - HE22 GLN 102 7.143% * 1.5348% (0.33 1.0 0.24 0.77) = 1.535% kept HB3 GLU- 75 - HE22 GLN 102 7.143% * 1.2257% (0.06 1.0 0.98 0.55) = 1.226% kept HG3 MET 126 - HE22 GLN 102 7.143% * 0.1726% (0.43 1.0 0.02 0.02) = 0.173% HG3 MET 97 - HE22 GLN 102 7.143% * 0.1604% (0.40 1.0 0.02 0.02) = 0.160% HA1 GLY 58 - HE22 GLN 102 7.143% * 0.1604% (0.40 1.0 0.02 0.02) = 0.160% HB2 GLU- 50 - HE22 GLN 102 7.143% * 0.1432% (0.36 1.0 0.02 0.02) = 0.143% HG2 MET 126 - HE22 GLN 102 7.143% * 0.1228% (0.31 1.0 0.02 0.02) = 0.123% HG3 GLU- 109 - HE22 GLN 102 7.143% * 0.0870% (0.22 1.0 0.02 0.02) = 0.087% HB2 PRO 52 - HE22 GLN 102 7.143% * 0.0870% (0.22 1.0 0.02 0.02) = 0.087% HB VAL 99 - HE22 GLN 102 7.143% * 0.0398% (0.10 1.0 0.02 0.02) = 0.040% HB3 PRO 104 - HE22 GLN 102 7.143% * 0.0354% (0.09 1.0 0.02 0.02) = 0.035% HB3 GLU- 45 - HE22 GLN 102 7.143% * 0.0276% (0.07 1.0 0.02 0.02) = 0.028% Peak 1219 (2.07, 7.37, 110.39 ppm): 13 chemical-shift based assignments, quality = 0.42, support = 2.08, residual support = 14.4: HB ILE 101 - HE22 GLN 102 7.692% * 54.8348% (0.45 3.21 25.72) = 54.835% kept HB3 GLU- 75 - HE22 GLN 102 7.692% * 15.6836% (0.42 0.98 0.55) = 15.684% kept HG2 GLN 16 - HE22 GLN 102 7.692% * 11.6001% (0.40 0.75 1.68) = 11.600% kept HB VAL 62 - HE22 GLN 102 7.692% * 10.3949% (0.43 0.64 0.02) = 10.395% kept HG2 PRO 112 - HE22 GLN 102 7.692% * 4.5659% (0.34 0.35 0.02) = 4.566% kept HD3 LYS+ 110 - HE22 GLN 102 7.692% * 1.0785% (0.31 0.09 0.02) = 1.078% kept HB2 LYS+ 110 - HE22 GLN 102 7.692% * 0.9523% (0.27 0.09 0.02) = 0.952% HB3 LYS+ 120 - HE22 GLN 102 7.692% * 0.3381% (0.44 0.02 0.02) = 0.338% HB VAL 125 - HE22 GLN 102 7.692% * 0.1815% (0.24 0.02 0.02) = 0.181% HB2 MET 118 - HE22 GLN 102 7.692% * 0.1295% (0.17 0.02 0.02) = 0.129% HB2 GLU- 45 - HE22 GLN 102 7.692% * 0.0959% (0.13 0.02 0.02) = 0.096% HB VAL 65 - HE22 GLN 102 7.692% * 0.0768% (0.10 0.02 0.64) = 0.077% HG3 PRO 86 - HE22 GLN 102 7.692% * 0.0683% (0.09 0.02 1.16) = 0.068% Peak 1220 (2.21, 6.64, 110.39 ppm): 14 chemical-shift based assignments, quality = 0.274, support = 1.63, residual support = 25.6: O HG3 GLN 102 - HE21 GLN 102 7.143% * 92.9372% (0.27 10.0 1.73 27.58) = 92.937% kept HG2 PRO 112 - HE21 GLN 102 7.143% * 3.3143% (0.45 1.0 0.37 0.02) = 3.314% kept HG3 GLU- 18 - HE21 GLN 102 7.143% * 1.5231% (0.33 1.0 0.24 0.77) = 1.523% kept HB3 GLU- 75 - HE21 GLN 102 7.143% * 1.1971% (0.06 1.0 0.96 0.55) = 1.197% kept HG3 MET 126 - HE21 GLN 102 7.143% * 0.1713% (0.43 1.0 0.02 0.02) = 0.171% HG3 MET 97 - HE21 GLN 102 7.143% * 0.1592% (0.40 1.0 0.02 0.02) = 0.159% HA1 GLY 58 - HE21 GLN 102 7.143% * 0.1592% (0.40 1.0 0.02 0.02) = 0.159% HB2 GLU- 50 - HE21 GLN 102 7.143% * 0.1421% (0.36 1.0 0.02 0.02) = 0.142% HG2 MET 126 - HE21 GLN 102 7.143% * 0.1219% (0.31 1.0 0.02 0.02) = 0.122% HG3 GLU- 109 - HE21 GLN 102 7.143% * 0.0864% (0.22 1.0 0.02 0.02) = 0.086% HB2 PRO 52 - HE21 GLN 102 7.143% * 0.0864% (0.22 1.0 0.02 0.02) = 0.086% HB VAL 99 - HE21 GLN 102 7.143% * 0.0395% (0.10 1.0 0.02 0.02) = 0.040% HB3 PRO 104 - HE21 GLN 102 7.143% * 0.0351% (0.09 1.0 0.02 0.02) = 0.035% HB3 GLU- 45 - HE21 GLN 102 7.143% * 0.0274% (0.07 1.0 0.02 0.02) = 0.027% Peak 1221 (2.07, 6.64, 110.39 ppm): 13 chemical-shift based assignments, quality = 0.415, support = 2.01, residual support = 14.0: HB ILE 101 - HE21 GLN 102 7.692% * 53.2798% (0.44 3.16 25.72) = 53.280% kept HB3 GLU- 75 - HE21 GLN 102 7.692% * 15.2187% (0.42 0.96 0.55) = 15.219% kept HG2 GLN 16 - HE21 GLN 102 7.692% * 11.4373% (0.40 0.75 1.68) = 11.437% kept HB VAL 62 - HE21 GLN 102 7.692% * 10.8422% (0.42 0.67 0.02) = 10.842% kept HG2 PRO 112 - HE21 GLN 102 7.692% * 4.8256% (0.34 0.37 0.02) = 4.826% kept HD3 LYS+ 110 - HE21 GLN 102 7.692% * 1.2668% (0.31 0.11 0.02) = 1.267% kept HG3 PRO 86 - HE21 GLN 102 7.692% * 1.2009% (0.09 0.36 1.16) = 1.201% kept HB2 LYS+ 110 - HE21 GLN 102 7.692% * 1.1186% (0.27 0.11 0.02) = 1.119% kept HB3 LYS+ 120 - HE21 GLN 102 7.692% * 0.3333% (0.44 0.02 0.02) = 0.333% HB VAL 125 - HE21 GLN 102 7.692% * 0.1789% (0.24 0.02 0.02) = 0.179% HB2 MET 118 - HE21 GLN 102 7.692% * 0.1276% (0.17 0.02 0.02) = 0.128% HB2 GLU- 45 - HE21 GLN 102 7.692% * 0.0946% (0.12 0.02 0.02) = 0.095% HB VAL 65 - HE21 GLN 102 7.692% * 0.0757% (0.10 0.02 0.64) = 0.076% Peak 1222 (1.11, 6.64, 110.39 ppm): 4 chemical-shift based assignments, quality = 0.345, support = 0.694, residual support = 0.687: QG2 THR 61 - HE21 GLN 102 25.000% * 54.8397% (0.43 0.78 0.64) = 54.840% kept HG3 LYS+ 32 - HE21 GLN 102 25.000% * 26.1597% (0.22 0.74 1.27) = 26.160% kept HD3 LYS+ 111 - HE21 GLN 102 25.000% * 17.9993% (0.27 0.41 0.02) = 17.999% kept QG2 THR 79 - HE21 GLN 102 25.000% * 1.0014% (0.31 0.02 0.02) = 1.001% kept Peak 1223 (1.12, 7.37, 110.39 ppm): 5 chemical-shift based assignments, quality = 0.351, support = 1.18, residual support = 0.913: HG3 LYS+ 32 - HE22 GLN 102 20.000% * 40.4078% (0.36 1.62 1.27) = 40.408% kept QG2 THR 61 - HE22 GLN 102 20.000% * 29.3140% (0.43 0.97 0.64) = 29.314% kept HD3 LYS+ 111 - HE22 GLN 102 20.000% * 13.5910% (0.40 0.49 0.02) = 13.591% kept QB ALA 33 - HE22 GLN 102 20.000% * 11.8189% (0.13 1.36 1.76) = 11.819% kept QG2 THR 79 - HE22 GLN 102 20.000% * 4.8683% (0.17 0.42 0.02) = 4.868% kept Peak 1224 (7.05, 7.63, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1225 (7.05, 7.05, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1226 (7.63, 7.06, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1227 (0.92, 7.05, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1228 (0.92, 7.63, 110.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1229 (0.01, 8.96, 124.78 ppm): 3 chemical-shift based assignments, quality = 0.377, support = 5.34, residual support = 49.4: * QG2 ILE 19 - HN ILE 19 33.333% * 47.2237% (0.40 5.86 96.53) = 47.224% kept QG2 ILE 19 - HN THR 96 33.333% * 43.2518% (0.39 5.50 5.70) = 43.252% kept QG2 ILE 19 - HN LEU 17 33.333% * 9.5244% (0.23 2.04 13.75) = 9.524% kept Peak 1231 (7.64, 6.87, 112.96 ppm): 4 chemical-shift based assignments, quality = 0.14, support = 0.158, residual support = 0.341: T HD21 ASN 89 - HD22 ASN 15 25.000% * 59.4764% (0.20 10.00 0.02 0.44) = 59.476% kept HN ASP- 25 - HD22 ASN 15 25.000% * 24.4607% (0.03 1.00 0.53 0.32) = 24.461% kept HD21 ASN 57 - HD22 ASN 15 25.000% * 14.8832% (0.10 1.00 0.10 0.02) = 14.883% kept HN TYR 83 - HD22 ASN 15 25.000% * 1.1796% (0.04 1.00 0.02 0.02) = 1.180% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1232 (2.77, 6.87, 112.96 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 0.371, residual support = 0.946: HB2 ASN 119 - HD22 ASN 15 100.000% *100.0000% (0.13 0.37 0.95) = 100.000% kept Not enough quality. Peak unassigned. Peak 1233 (0.83, 7.64, 112.96 ppm): 8 chemical-shift based assignments, quality = 0.655, support = 0.409, residual support = 1.79: QG2 VAL 13 - HD21 ASN 89 12.500% * 44.6478% (0.76 0.41 0.10) = 44.648% kept * QD2 LEU 90 - HD21 ASN 89 12.500% * 39.4674% (0.49 0.56 4.40) = 39.467% kept QD2 LEU 67 - HD21 ASN 89 12.500% * 3.2454% (0.25 0.09 0.13) = 3.245% kept QD1 ILE 29 - HD21 ASN 89 12.500% * 2.8542% (0.99 0.02 0.02) = 2.854% kept QG1 VAL 13 - HD21 ASN 89 12.500% * 2.8542% (0.99 0.02 0.10) = 2.854% kept HG2 LYS+ 117 - HD21 ASN 89 12.500% * 2.7791% (0.97 0.02 0.02) = 2.779% kept QG1 VAL 94 - HD21 ASN 89 12.500% * 2.4053% (0.84 0.02 0.02) = 2.405% kept QD2 LEU 17 - HD21 ASN 89 12.500% * 1.7466% (0.61 0.02 0.02) = 1.747% kept Peak 1234 (0.83, 6.87, 112.96 ppm): 8 chemical-shift based assignments, quality = 0.141, support = 0.4, residual support = 0.242: QD1 ILE 29 - HD22 ASN 15 12.500% * 38.0869% (0.18 0.45 0.36) = 38.087% kept QD2 LEU 90 - HD22 ASN 15 12.500% * 25.1218% (0.09 0.60 0.22) = 25.122% kept QG1 VAL 94 - HD22 ASN 15 12.500% * 17.9575% (0.16 0.25 0.02) = 17.958% kept QD2 LEU 67 - HD22 ASN 15 12.500% * 7.6739% (0.05 0.36 0.02) = 7.674% kept QG2 VAL 13 - HD22 ASN 15 12.500% * 6.7413% (0.14 0.10 0.52) = 6.741% kept QG1 VAL 13 - HD22 ASN 15 12.500% * 1.7089% (0.18 0.02 0.52) = 1.709% kept HG2 LYS+ 117 - HD22 ASN 15 12.500% * 1.6639% (0.18 0.02 0.02) = 1.664% kept QD2 LEU 17 - HD22 ASN 15 12.500% * 1.0458% (0.11 0.02 0.02) = 1.046% kept Reference assignment not found: QD2 LEU 90 - HD22 ASN 89 Not enough quality. Peak unassigned. Peak 1235 (1.58, 8.60, 125.48 ppm): 12 chemical-shift based assignments, quality = 0.907, support = 5.35, residual support = 41.5: * HB ILE 19 - HN LYS+ 20 8.333% * 91.1882% (0.92 5.84 45.44) = 91.188% kept HG LEU 17 - HN LYS+ 20 8.333% * 5.9296% (0.90 0.39 1.08) = 5.930% kept HD3 LYS+ 60 - HN LYS+ 20 8.333% * 1.5944% (0.83 0.11 0.15) = 1.594% kept HD3 LYS+ 81 - HN LYS+ 20 8.333% * 0.2583% (0.76 0.02 0.02) = 0.258% HB3 LYS+ 32 - HN LYS+ 20 8.333% * 0.2455% (0.73 0.02 0.16) = 0.245% QB ALA 42 - HN LYS+ 20 8.333% * 0.1645% (0.49 0.02 0.02) = 0.165% HG12 ILE 29 - HN LYS+ 20 8.333% * 0.1645% (0.49 0.02 0.13) = 0.165% HB3 LEU 90 - HN LYS+ 20 8.333% * 0.1390% (0.41 0.02 0.02) = 0.139% HG13 ILE 29 - HN LYS+ 20 8.333% * 0.1043% (0.31 0.02 0.13) = 0.104% HD3 LYS+ 32 - HN LYS+ 20 8.333% * 0.0843% (0.25 0.02 0.16) = 0.084% QG2 THR 24 - HN LYS+ 20 8.333% * 0.0753% (0.22 0.02 0.02) = 0.075% HB3 PRO 52 - HN LYS+ 20 8.333% * 0.0522% (0.15 0.02 0.02) = 0.052% Peak 1236 (7.98, 7.90, 118.11 ppm): 3 chemical-shift based assignments, quality = 0.89, support = 5.18, residual support = 27.6: * T HN LEU 43 - HN LYS+ 44 33.333% * 99.3856% (0.90 10.00 5.22 27.76) = 99.386% kept HN MET 126 - HN LYS+ 44 33.333% * 0.5946% (0.41 1.00 0.26 0.02) = 0.595% HN LYS+ 72 - HN LYS+ 44 33.333% * 0.0198% (0.18 1.00 0.02 0.02) = 0.020% Peak 1237 (4.15, 8.21, 118.42 ppm): 8 chemical-shift based assignments, quality = 0.888, support = 0.931, residual support = 2.32: HB3 SER 49 - HN GLU- 45 12.500% * 39.9335% (0.99 1.33 4.72) = 39.933% kept HA VAL 87 - HN GLU- 45 12.500% * 22.9398% (0.86 0.88 1.57) = 22.940% kept HB2 SER 88 - HN GLU- 45 12.500% * 20.3298% (0.99 0.68 0.21) = 20.330% kept HA VAL 105 - HN GLU- 45 12.500% * 8.0490% (0.48 0.55 0.32) = 8.049% kept HA2 GLY 71 - HN GLU- 45 12.500% * 4.0183% (0.86 0.15 0.02) = 4.018% kept HB THR 106 - HN GLU- 45 12.500% * 3.9306% (0.48 0.27 0.02) = 3.931% kept HA LYS+ 110 - HN GLU- 45 12.500% * 0.4822% (0.80 0.02 0.11) = 0.482% HA ARG+ 53 - HN GLU- 45 12.500% * 0.3169% (0.52 0.02 0.02) = 0.317% Peak 1238 (3.78, 8.16, 114.88 ppm): 2 chemical-shift based assignments, quality = 0.197, support = 2.85, residual support = 5.26: O HB3 SER 41 - HN SER 41 50.000% * 99.8279% (0.20 10.0 2.86 5.27) = 99.828% kept HD3 PRO 112 - HN SER 41 50.000% * 0.1721% (0.34 1.0 0.02 0.02) = 0.172% Peak 1239 (7.32, 7.30, 114.60 ppm): 2 diagonal assignments: HN ILE 48 - HN ILE 48 (0.28) kept HZ2 TRP 51 - HZ2 TRP 51 (0.08) kept Reference assignment not found: HN VAL 47 - HN ILE 48 Peak 1240 (7.27, 7.32, 122.31 ppm): 1 chemical-shift based assignment, quality = 0.277, support = 5.88, residual support = 33.5: * T HN ILE 48 - HN VAL 47 100.000% *100.0000% (0.28 10.00 5.88 33.51) = 100.000% kept Peak 1241 (3.08, 8.34, 118.74 ppm): 3 chemical-shift based assignments, quality = 0.31, support = 3.06, residual support = 11.3: HB3 TRP 51 - HN GLU- 50 33.333% * 80.1187% (0.20 3.76 14.10) = 80.119% kept * HA VAL 47 - HN GLU- 50 33.333% * 19.4020% (0.79 0.23 0.02) = 19.402% kept HB3 ASP- 25 - HN GLU- 50 33.333% * 0.4794% (0.22 0.02 0.02) = 0.479% Peak 1242 (8.23, 8.34, 118.74 ppm): 11 chemical-shift based assignments, quality = 0.983, support = 4.62, residual support = 17.1: * T HN SER 49 - HN GLU- 50 9.091% * 95.9170% (0.99 10.00 4.79 17.80) = 95.917% kept HN GLY 58 - HN GLU- 50 9.091% * 3.5755% (0.95 1.00 0.77 0.02) = 3.575% kept HN LYS+ 81 - HN GLU- 50 9.091% * 0.0860% (0.89 1.00 0.02 0.02) = 0.086% HN LEU 67 - HN GLU- 50 9.091% * 0.0860% (0.89 1.00 0.02 0.02) = 0.086% HN GLU- 12 - HN GLU- 50 9.091% * 0.0768% (0.79 1.00 0.02 0.02) = 0.077% HN VAL 94 - HN GLU- 50 9.091% * 0.0620% (0.64 1.00 0.02 0.02) = 0.062% HN VAL 105 - HN GLU- 50 9.091% * 0.0582% (0.60 1.00 0.02 0.02) = 0.058% HN ALA 11 - HN GLU- 50 9.091% * 0.0430% (0.44 1.00 0.02 0.02) = 0.043% HN GLU- 45 - HN GLU- 50 9.091% * 0.0360% (0.37 1.00 0.02 0.02) = 0.036% HN THR 106 - HN GLU- 50 9.091% * 0.0327% (0.34 1.00 0.02 0.02) = 0.033% HN ASP- 115 - HN GLU- 50 9.091% * 0.0267% (0.27 1.00 0.02 0.02) = 0.027% Peak 1243 (8.33, 8.23, 114.86 ppm): 7 chemical-shift based assignments, quality = 0.932, support = 4.64, residual support = 17.2: * T HN GLU- 50 - HN SER 49 14.286% * 96.6702% (0.94 10.00 4.79 17.80) = 96.670% kept HN GLY 114 - HN SER 49 14.286% * 2.4357% (0.89 1.00 0.53 0.52) = 2.436% kept HN LYS+ 108 - HN SER 49 14.286% * 0.5021% (0.17 1.00 0.56 0.02) = 0.502% HN GLU- 109 - HN SER 49 14.286% * 0.2260% (0.45 1.00 0.10 0.02) = 0.226% HN ASN 76 - HN SER 49 14.286% * 0.0818% (0.80 1.00 0.02 0.02) = 0.082% HN VAL 99 - HN SER 49 14.286% * 0.0458% (0.45 1.00 0.02 0.02) = 0.046% HN ALA 103 - HN SER 49 14.286% * 0.0384% (0.37 1.00 0.02 0.02) = 0.038% Peak 1244 (8.27, 8.45, 129.16 ppm): 7 chemical-shift based assignments, quality = 0.48, support = 0.561, residual support = 6.3: * HN LEU 67 - HN LEU 74 14.286% * 36.6866% (0.20 1.16 17.09) = 36.687% kept HN ASN 89 - HN LEU 74 14.286% * 34.5003% (0.76 0.28 0.02) = 34.500% kept HN THR 106 - HN LEU 74 14.286% * 12.2520% (0.73 0.11 0.02) = 12.252% kept HN LYS+ 81 - HN LEU 74 14.286% * 6.5065% (0.20 0.21 0.32) = 6.507% kept HN GLU- 12 - HN LEU 74 14.286% * 6.3067% (0.28 0.14 0.02) = 6.307% kept HN ASP- 115 - HN LEU 74 14.286% * 2.5519% (0.80 0.02 0.02) = 2.552% kept HN ASP- 28 - HN LEU 74 14.286% * 1.1961% (0.37 0.02 0.02) = 1.196% kept Peak 1245 (4.98, 8.80, 119.98 ppm): 4 chemical-shift based assignments, quality = 0.624, support = 3.58, residual support = 16.9: * O HA SER 69 - HN SER 69 25.000% * 60.4757% (0.74 10.0 3.46 21.26) = 60.476% kept O HA ILE 68 - HN SER 69 25.000% * 37.0079% (0.45 10.0 3.98 10.87) = 37.008% kept HA PRO 31 - HN SER 69 25.000% * 1.7368% (0.51 1.0 0.83 0.02) = 1.737% kept HA MET 97 - HN SER 69 25.000% * 0.7796% (0.54 1.0 0.35 0.02) = 0.780% Peak 1246 (4.96, 9.49, 134.56 ppm): 5 chemical-shift based assignments, quality = 0.229, support = 2.32, residual support = 4.02: * O HA SER 69 - HN ALA 70 20.000% * 94.6797% (0.20 10.0 2.44 4.25) = 94.680% kept HA HIS+ 98 - HN ALA 70 20.000% * 4.4677% (0.92 1.0 0.20 0.02) = 4.468% kept HA MET 97 - HN ALA 70 20.000% * 0.3286% (0.69 1.0 0.02 0.02) = 0.329% HA ILE 101 - HN ALA 70 20.000% * 0.3095% (0.65 1.0 0.02 0.02) = 0.309% HA ALA 33 - HN ALA 70 20.000% * 0.2145% (0.45 1.0 0.02 0.02) = 0.214% Peak 1247 (4.17, 8.80, 119.98 ppm): 7 chemical-shift based assignments, quality = 0.644, support = 2.15, residual support = 0.994: * HA VAL 73 - HN SER 69 14.286% * 44.4294% (0.62 3.26 1.88) = 44.429% kept HB3 SER 49 - HN SER 69 14.286% * 25.8996% (0.71 1.68 0.54) = 25.900% kept HA VAL 65 - HN SER 69 14.286% * 13.7600% (0.57 1.11 0.02) = 13.760% kept HA VAL 105 - HN SER 69 14.286% * 12.2927% (0.67 0.84 0.11) = 12.293% kept HB THR 106 - HN SER 69 14.286% * 3.3824% (0.67 0.23 0.02) = 3.382% kept HA VAL 87 - HN SER 69 14.286% * 0.1714% (0.39 0.02 0.02) = 0.171% HB2 SER 88 - HN SER 69 14.286% * 0.0645% (0.15 0.02 0.02) = 0.064% Peak 1248 (2.88, 8.87, 121.88 ppm): 3 chemical-shift based assignments, quality = 0.159, support = 3.01, residual support = 15.2: HB2 HIS+ 98 - HN ILE 68 33.333% * 97.2143% (0.15 3.09 15.60) = 97.214% kept HB3 ASN 57 - HN ILE 68 33.333% * 1.5286% (0.37 0.02 0.02) = 1.529% kept HE3 LYS+ 81 - HN ILE 68 33.333% * 1.2571% (0.31 0.02 0.02) = 1.257% kept Peak 1249 (4.92, 9.08, 129.85 ppm): 2 chemical-shift based assignments, quality = 0.282, support = 1.33, residual support = 9.2: * HA ILE 101 - HN LYS+ 66 50.000% * 97.6886% (0.28 1.36 9.41) = 97.689% kept HA ALA 33 - HN LYS+ 66 50.000% * 2.3114% (0.45 0.02 0.02) = 2.311% kept Peak 1250 (4.13, 8.37, 103.40 ppm): 8 chemical-shift based assignments, quality = 0.835, support = 3.02, residual support = 15.0: * O HA2 GLY 71 - HN GLY 71 12.500% * 86.9580% (0.94 10.0 3.09 15.29) = 86.958% kept O HA ALA 70 - HN GLY 71 12.500% * 12.4408% (0.13 10.0 2.72 14.06) = 12.441% kept HA THR 46 - HN GLY 71 12.500% * 0.2283% (0.37 1.0 0.13 0.02) = 0.228% HA LYS+ 110 - HN GLY 71 12.500% * 0.0901% (0.98 1.0 0.02 0.02) = 0.090% HB3 SER 49 - HN GLY 71 12.500% * 0.0894% (0.97 1.0 0.02 0.02) = 0.089% HA ARG+ 53 - HN GLY 71 12.500% * 0.0887% (0.96 1.0 0.02 0.02) = 0.089% HB2 SER 88 - HN GLY 71 12.500% * 0.0703% (0.76 1.0 0.02 0.02) = 0.070% HA VAL 87 - HN GLY 71 12.500% * 0.0345% (0.37 1.0 0.02 0.02) = 0.035% Peak 1251 (4.96, 7.96, 122.12 ppm): 5 chemical-shift based assignments, quality = 0.46, support = 1.1, residual support = 2.44: HA SER 69 - HN LYS+ 72 20.000% * 47.7211% (0.20 1.90 4.17) = 47.721% kept HA ILE 101 - HN LYS+ 72 20.000% * 38.5678% (0.65 0.47 1.16) = 38.568% kept HA HIS+ 98 - HN LYS+ 72 20.000% * 10.8298% (0.92 0.09 0.02) = 10.830% kept HA MET 97 - HN LYS+ 72 20.000% * 1.7434% (0.69 0.02 0.02) = 1.743% kept HA ALA 33 - HN LYS+ 72 20.000% * 1.1379% (0.45 0.02 0.02) = 1.138% kept Reference assignment not found: HA ILE 68 - HN LYS+ 72 Peak 1254 (4.79, 9.28, 130.07 ppm): 4 chemical-shift based assignments, quality = 0.78, support = 6.73, residual support = 119.4: * O HA LEU 23 - HN LEU 23 25.000% * 99.3170% (0.79 10.0 6.77 120.20) = 99.317% kept HA GLU- 18 - HN LEU 23 25.000% * 0.4383% (0.39 1.0 0.18 0.02) = 0.438% HB THR 39 - HN LEU 23 25.000% * 0.1678% (0.35 1.0 0.08 0.02) = 0.168% HA ASN 15 - HN LEU 23 25.000% * 0.0769% (0.61 1.0 0.02 0.02) = 0.077% Peak 1255 (8.82, 8.96, 124.78 ppm): 9 chemical-shift based assignments, quality = 0.66, support = 0.646, residual support = 0.439: T HN LYS+ 32 - HN ILE 19 11.111% * 52.4870% (0.75 10.00 0.75 0.49) = 52.487% kept T HN LYS+ 32 - HN LEU 17 11.111% * 25.5683% (0.44 10.00 0.63 0.59) = 25.568% kept T HN LYS+ 32 - HN THR 96 11.111% * 13.0607% (0.73 10.00 0.19 0.02) = 13.061% kept HN LYS+ 60 - HN ILE 19 11.111% * 6.0758% (0.68 1.00 0.96 0.42) = 6.076% kept HN LYS+ 60 - HN THR 96 11.111% * 2.3792% (0.66 1.00 0.39 0.02) = 2.379% kept HN ASN 57 - HN ILE 19 11.111% * 0.1393% (0.75 1.00 0.02 0.02) = 0.139% HN ASN 57 - HN THR 96 11.111% * 0.1359% (0.73 1.00 0.02 0.02) = 0.136% HN ASN 57 - HN LEU 17 11.111% * 0.0808% (0.43 1.00 0.02 0.02) = 0.081% HN LYS+ 60 - HN LEU 17 11.111% * 0.0731% (0.39 1.00 0.02 0.02) = 0.073% Peak 1256 (8.76, 8.60, 125.48 ppm): 6 chemical-shift based assignments, quality = 0.571, support = 4.38, residual support = 5.36: * T HN THR 95 - HN LYS+ 20 16.667% * 69.1582% (0.41 10.00 5.52 7.00) = 69.158% kept HN PHE 34 - HN LYS+ 20 16.667% * 18.7087% (1.00 1.00 2.23 2.39) = 18.709% kept HN VAL 62 - HN LYS+ 20 16.667% * 9.8284% (0.96 1.00 1.21 0.76) = 9.828% kept HN SER 69 - HN LYS+ 20 16.667% * 2.2159% (0.25 1.00 1.06 0.02) = 2.216% kept HN ILE 101 - HN LYS+ 20 16.667% * 0.0468% (0.28 1.00 0.02 0.02) = 0.047% HN GLU- 56 - HN LYS+ 20 16.667% * 0.0419% (0.25 1.00 0.02 0.02) = 0.042% Peak 1257 (8.58, 8.78, 126.61 ppm): 4 chemical-shift based assignments, quality = 0.4, support = 5.24, residual support = 6.66: * T HN LYS+ 20 - HN THR 95 25.000% * 94.6077% (0.37 10.00 5.52 7.00) = 94.608% kept HN VAL 80 - HN THR 95 25.000% * 4.9017% (0.96 1.00 0.40 0.70) = 4.902% kept HN VAL 73 - HN THR 95 25.000% * 0.2521% (1.00 1.00 0.02 0.02) = 0.252% HN THR 39 - HN THR 95 25.000% * 0.2385% (0.94 1.00 0.02 0.17) = 0.238% Peak 1258 (4.94, 8.94, 125.29 ppm): 3 chemical-shift based assignments, quality = 0.893, support = 2.38, residual support = 4.76: HA ALA 33 - HN ARG+ 22 33.333% * 37.7826% (1.00 2.36 3.29) = 37.783% kept HA ILE 101 - HN ARG+ 22 33.333% * 34.0630% (0.95 2.25 3.44) = 34.063% kept * HA HIS+ 98 - HN ARG+ 22 33.333% * 28.1543% (0.69 2.56 8.33) = 28.154% kept Peak 1259 (4.38, 8.94, 125.29 ppm): 14 chemical-shift based assignments, quality = 0.667, support = 0.538, residual support = 0.313: HA THR 95 - HN ARG+ 22 7.143% * 35.6877% (0.57 0.93 0.84) = 35.688% kept HA SER 27 - HN ARG+ 22 7.143% * 24.8939% (0.97 0.38 0.02) = 24.894% kept HA PRO 104 - HN ARG+ 22 7.143% * 16.7356% (0.45 0.55 0.02) = 16.736% kept HB THR 61 - HN ARG+ 22 7.143% * 6.6534% (0.61 0.16 0.02) = 6.653% kept HA LYS+ 60 - HN ARG+ 22 7.143% * 5.2668% (0.87 0.09 0.02) = 5.267% kept HA2 GLY 26 - HN ARG+ 22 7.143% * 2.8292% (0.49 0.09 0.02) = 2.829% kept HA PRO 116 - HN ARG+ 22 7.143% * 1.4455% (0.22 0.10 0.02) = 1.446% kept HA ALA 91 - HN ARG+ 22 7.143% * 1.3458% (0.99 0.02 0.02) = 1.346% kept HA ALA 37 - HN ARG+ 22 7.143% * 1.2845% (0.95 0.02 0.02) = 1.284% kept HA SER 88 - HN ARG+ 22 7.143% * 1.2845% (0.95 0.02 0.02) = 1.284% kept HA TRP 51 - HN ARG+ 22 7.143% * 1.1342% (0.84 0.02 0.02) = 1.134% kept HA ASN 57 - HN ARG+ 22 7.143% * 0.8236% (0.61 0.02 1.50) = 0.824% HA PRO 112 - HN ARG+ 22 7.143% * 0.3775% (0.28 0.02 0.02) = 0.378% HA PRO 86 - HN ARG+ 22 7.143% * 0.2378% (0.18 0.02 0.02) = 0.238% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1260 (7.58, 9.36, 115.05 ppm): 5 chemical-shift based assignments, quality = 0.264, support = 4.75, residual support = 13.2: T HN ASP- 25 - HN THR 24 20.000% * 96.0686% (0.24 10.00 4.94 13.72) = 96.069% kept HD21 ASN 15 - HN THR 24 20.000% * 3.1416% (0.93 1.00 0.17 0.23) = 3.142% kept HN LYS+ 78 - HN THR 24 20.000% * 0.3844% (0.98 1.00 0.02 0.02) = 0.384% HD22 ASN 119 - HN THR 24 20.000% * 0.2027% (0.52 1.00 0.02 0.02) = 0.203% HN VAL 65 - HN THR 24 20.000% * 0.2027% (0.52 1.00 0.02 0.02) = 0.203% Peak 1261 (7.31, 8.96, 124.78 ppm): 21 chemical-shift based assignments, quality = 0.488, support = 3.64, residual support = 50.7: * QD PHE 34 - HN ILE 19 4.762% * 46.8631% (0.68 3.85 54.24) = 46.863% kept QE PHE 34 - HN ILE 19 4.762% * 26.1168% (0.34 4.29 54.24) = 26.117% kept HZ PHE 34 - HN ILE 19 4.762% * 20.4738% (0.34 3.37 54.24) = 20.474% kept HZ2 TRP 51 - HN ILE 19 4.762% * 3.9368% (0.34 0.65 0.02) = 3.937% kept HN ARG+ 84 - HN ILE 19 4.762% * 0.2619% (0.73 0.02 0.02) = 0.262% HN VAL 47 - HN ILE 19 4.762% * 0.2567% (0.71 0.02 0.02) = 0.257% HN ARG+ 84 - HN THR 96 4.762% * 0.2555% (0.71 0.02 0.02) = 0.256% HN VAL 47 - HN THR 96 4.762% * 0.2505% (0.70 0.02 0.02) = 0.250% QD PHE 34 - HN THR 96 4.762% * 0.2374% (0.66 0.02 0.02) = 0.237% HN ARG+ 84 - HN LEU 17 4.762% * 0.1519% (0.42 0.02 1.73) = 0.152% HN VAL 47 - HN LEU 17 4.762% * 0.1489% (0.41 0.02 0.02) = 0.149% QD PHE 34 - HN LEU 17 4.762% * 0.1412% (0.39 0.02 0.02) = 0.141% HN ILE 48 - HN ILE 19 4.762% * 0.1321% (0.37 0.02 0.02) = 0.132% HN ILE 48 - HN THR 96 4.762% * 0.1289% (0.36 0.02 0.02) = 0.129% QE PHE 34 - HN THR 96 4.762% * 0.1187% (0.33 0.02 0.02) = 0.119% HZ2 TRP 51 - HN THR 96 4.762% * 0.1187% (0.33 0.02 0.02) = 0.119% HZ PHE 34 - HN THR 96 4.762% * 0.1187% (0.33 0.02 0.02) = 0.119% HN ILE 48 - HN LEU 17 4.762% * 0.0766% (0.21 0.02 0.02) = 0.077% HZ PHE 34 - HN LEU 17 4.762% * 0.0706% (0.20 0.02 0.02) = 0.071% HZ2 TRP 51 - HN LEU 17 4.762% * 0.0706% (0.20 0.02 0.16) = 0.071% QE PHE 34 - HN LEU 17 4.762% * 0.0706% (0.20 0.02 0.02) = 0.071% Peak 1262 (9.29, 8.29, 117.49 ppm): 2 chemical-shift based assignments, quality = 0.787, support = 3.92, residual support = 18.0: HN ILE 29 - HN ASP- 28 50.000% * 57.6127% (0.65 5.02 26.71) = 57.613% kept HN LEU 23 - HN ASP- 28 50.000% * 42.3873% (0.98 2.44 6.17) = 42.387% kept Peak 1263 (4.78, 7.61, 117.98 ppm): 2 chemical-shift based assignments, quality = 0.529, support = 2.64, residual support = 4.18: * HA LEU 23 - HN ASP- 25 50.000% * 83.8363% (0.45 3.10 4.93) = 83.836% kept HA ASN 15 - HN ASP- 25 50.000% * 16.1637% (0.96 0.28 0.32) = 16.164% kept Peak 1264 (4.06, 7.61, 117.98 ppm): 6 chemical-shift based assignments, quality = 0.291, support = 4.05, residual support = 10.7: * O HA THR 24 - HN ASP- 25 16.667% * 78.1074% (0.15 10.0 5.06 13.72) = 78.107% kept HA VAL 125 - HN ASP- 25 16.667% * 12.1548% (0.99 1.0 0.48 0.02) = 12.155% kept HB3 SER 49 - HN ASP- 25 16.667% * 7.0571% (0.45 1.0 0.62 0.02) = 7.057% kept HB2 SER 49 - HN ASP- 25 16.667% * 1.9864% (1.00 1.0 0.08 0.02) = 1.986% kept HB THR 38 - HN ASP- 25 16.667% * 0.4673% (0.92 1.0 0.02 0.02) = 0.467% HB3 SER 85 - HN ASP- 25 16.667% * 0.2270% (0.45 1.0 0.02 0.02) = 0.227% Peak 1265 (4.38, 8.02, 117.84 ppm): 14 chemical-shift based assignments, quality = 0.776, support = 2.1, residual support = 6.15: * O HA SER 27 - HN SER 27 7.143% * 64.4310% (0.94 10.0 1.98 5.99) = 64.431% kept O HA2 GLY 26 - HN SER 27 7.143% * 32.7553% (0.47 10.0 2.44 6.98) = 32.755% kept HA TRP 51 - HN SER 27 7.143% * 2.3660% (0.81 1.0 0.84 0.11) = 2.366% kept HA ALA 91 - HN SER 27 7.143% * 0.0667% (0.96 1.0 0.02 0.02) = 0.067% HA SER 88 - HN SER 27 7.143% * 0.0637% (0.92 1.0 0.02 0.02) = 0.064% HA ALA 37 - HN SER 27 7.143% * 0.0637% (0.92 1.0 0.02 0.02) = 0.064% HA LYS+ 60 - HN SER 27 7.143% * 0.0584% (0.84 1.0 0.02 0.02) = 0.058% HA ASN 57 - HN SER 27 7.143% * 0.0408% (0.59 1.0 0.02 0.02) = 0.041% HB THR 61 - HN SER 27 7.143% * 0.0408% (0.59 1.0 0.02 0.02) = 0.041% HA THR 95 - HN SER 27 7.143% * 0.0381% (0.55 1.0 0.02 0.02) = 0.038% HA PRO 104 - HN SER 27 7.143% * 0.0302% (0.43 1.0 0.02 0.15) = 0.030% HA PRO 112 - HN SER 27 7.143% * 0.0187% (0.27 1.0 0.02 0.02) = 0.019% HA PRO 116 - HN SER 27 7.143% * 0.0150% (0.22 1.0 0.02 0.02) = 0.015% HA PRO 86 - HN SER 27 7.143% * 0.0118% (0.17 1.0 0.02 0.02) = 0.012% Peak 1266 (8.94, 8.30, 121.53 ppm): 6 chemical-shift based assignments, quality = 0.784, support = 4.0, residual support = 7.99: * T HN ARG+ 22 - HN VAL 99 16.667% * 80.2867% (0.81 10.00 4.42 9.22) = 80.287% kept HN PHE 21 - HN VAL 99 16.667% * 11.2375% (0.82 1.00 2.77 4.45) = 11.237% kept HN MET 97 - HN VAL 99 16.667% * 4.6320% (0.37 1.00 2.52 1.69) = 4.632% kept HN THR 96 - HN VAL 99 16.667% * 2.5887% (0.82 1.00 0.63 0.02) = 2.589% kept HN LEU 17 - HN VAL 99 16.667% * 1.2424% (0.53 1.00 0.47 0.32) = 1.242% kept HN ILE 19 - HN VAL 99 16.667% * 0.0126% (0.13 1.00 0.02 0.02) = 0.013% Peak 1267 (4.24, 8.48, 122.19 ppm): 16 chemical-shift based assignments, quality = 0.678, support = 0.17, residual support = 0.0197: HA ALA 11 - HN LYS+ 113 6.250% * 25.3220% (0.68 0.30 0.02) = 25.322% kept HA ASN 76 - HN LYS+ 113 6.250% * 17.2208% (0.61 0.23 0.02) = 17.221% kept HA PRO 59 - HN LYS+ 113 6.250% * 14.9264% (0.84 0.14 0.02) = 14.926% kept HA GLU- 10 - HN LYS+ 113 6.250% * 10.3971% (0.88 0.10 0.02) = 10.397% kept HA SER 49 - HN LYS+ 113 6.250% * 9.7652% (0.74 0.11 0.02) = 9.765% kept HB3 SER 49 - HN LYS+ 113 6.250% * 4.6181% (0.35 0.11 0.02) = 4.618% kept HA GLU- 75 - HN LYS+ 113 6.250% * 3.4680% (0.30 0.09 0.02) = 3.468% kept HA GLU- 56 - HN LYS+ 113 6.250% * 2.2519% (0.18 0.10 0.02) = 2.252% kept HA LYS+ 108 - HN LYS+ 113 6.250% * 2.1801% (0.88 0.02 0.02) = 2.180% kept HA GLU- 54 - HN LYS+ 113 6.250% * 2.1801% (0.88 0.02 0.02) = 2.180% kept HA ALA 42 - HN LYS+ 113 6.250% * 1.9726% (0.80 0.02 0.02) = 1.973% kept HA ASN 119 - HN LYS+ 113 6.250% * 1.4229% (0.58 0.02 0.02) = 1.423% kept HA GLU- 107 - HN LYS+ 113 6.250% * 1.4229% (0.58 0.02 0.02) = 1.423% kept HA GLU- 109 - HN LYS+ 113 6.250% * 1.4229% (0.58 0.02 0.02) = 1.423% kept HA GLU- 12 - HN LYS+ 113 6.250% * 0.7503% (0.30 0.02 0.02) = 0.750% HA GLU- 64 - HN LYS+ 113 6.250% * 0.6789% (0.28 0.02 0.02) = 0.679% Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1268 (2.75, 8.24, 106.55 ppm): 2 chemical-shift based assignments, quality = 0.572, support = 0.0874, residual support = 0.02: HB3 ASP- 115 - HN GLY 58 50.000% * 89.4488% (0.60 0.10 0.02) = 89.449% kept HB3 PHE 21 - HN GLY 58 50.000% * 10.5512% (0.34 0.02 0.02) = 10.551% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1269 (4.17, 8.46, 124.23 ppm): 21 chemical-shift based assignments, quality = 0.791, support = 1.5, residual support = 3.22: HB THR 106 - HN GLU- 107 4.762% * 47.2399% (0.80 2.28 6.73) = 47.240% kept HA VAL 73 - HN GLU- 107 4.762% * 22.3718% (0.80 1.08 0.11) = 22.372% kept HB3 SER 49 - HN GLU- 107 4.762% * 17.1253% (0.87 0.76 0.02) = 17.125% kept HA VAL 105 - HN GLU- 107 4.762% * 10.5374% (0.80 0.51 0.11) = 10.537% kept HB3 SER 49 - HN GLU- 10 4.762% * 0.9488% (0.23 0.16 0.02) = 0.949% HA VAL 65 - HN GLU- 107 4.762% * 0.3824% (0.74 0.02 0.02) = 0.382% HA VAL 87 - HN GLU- 107 4.762% * 0.2325% (0.45 0.02 0.02) = 0.232% HB3 SER 49 - HN GLU- 18 4.762% * 0.1082% (0.21 0.02 0.02) = 0.108% HB THR 106 - HN GLU- 10 4.762% * 0.1075% (0.21 0.02 0.02) = 0.107% HA VAL 105 - HN GLU- 10 4.762% * 0.1075% (0.21 0.02 0.02) = 0.107% HA VAL 73 - HN GLU- 10 4.762% * 0.1075% (0.21 0.02 0.02) = 0.107% HB THR 106 - HN GLU- 18 4.762% * 0.0995% (0.19 0.02 0.02) = 0.100% HA VAL 105 - HN GLU- 18 4.762% * 0.0995% (0.19 0.02 0.02) = 0.100% HA VAL 73 - HN GLU- 18 4.762% * 0.0995% (0.19 0.02 0.02) = 0.100% HA VAL 65 - HN GLU- 10 4.762% * 0.0992% (0.19 0.02 0.02) = 0.099% HA VAL 65 - HN GLU- 18 4.762% * 0.0919% (0.18 0.02 0.02) = 0.092% HB2 SER 88 - HN GLU- 107 4.762% * 0.0836% (0.16 0.02 0.02) = 0.084% HA VAL 87 - HN GLU- 10 4.762% * 0.0603% (0.12 0.02 0.02) = 0.060% HA VAL 87 - HN GLU- 18 4.762% * 0.0558% (0.11 0.02 0.02) = 0.056% HB2 SER 88 - HN GLU- 10 4.762% * 0.0217% (0.04 0.02 0.02) = 0.022% HB2 SER 88 - HN GLU- 18 4.762% * 0.0201% (0.04 0.02 0.02) = 0.020% Peak 1270 (2.21, 8.49, 124.44 ppm): 42 chemical-shift based assignments, quality = 0.586, support = 2.91, residual support = 36.5: * HG3 GLU- 18 - HN GLU- 18 2.381% * 67.6953% (0.58 4.12 53.83) = 67.695% kept HG2 PRO 112 - HN GLU- 18 2.381% * 15.4694% (0.80 0.68 0.12) = 15.469% kept HG3 MET 97 - HN GLU- 18 2.381% * 3.5894% (0.72 0.18 0.02) = 3.589% kept HG3 MET 126 - HN GLU- 18 2.381% * 2.0857% (0.77 0.10 0.02) = 2.086% kept HG2 PRO 112 - HN GLU- 10 2.381% * 1.8475% (0.87 0.08 0.02) = 1.848% kept HG2 MET 126 - HN GLU- 18 2.381% * 1.5739% (0.55 0.10 0.02) = 1.574% kept HB3 GLU- 75 - HN GLU- 18 2.381% * 1.1407% (0.11 0.36 0.02) = 1.141% kept HG3 MET 126 - HN GLU- 10 2.381% * 0.4747% (0.84 0.02 0.02) = 0.475% HB3 GLU- 75 - HN GLU- 107 2.381% * 0.4540% (0.03 0.64 0.02) = 0.454% HA1 GLY 58 - HN GLU- 10 2.381% * 0.4411% (0.78 0.02 0.02) = 0.441% HG3 MET 97 - HN GLU- 10 2.381% * 0.4411% (0.78 0.02 0.02) = 0.441% HA1 GLY 58 - HN GLU- 18 2.381% * 0.4062% (0.72 0.02 0.02) = 0.406% HB2 GLU- 50 - HN GLU- 10 2.381% * 0.3939% (0.70 0.02 0.02) = 0.394% HB2 GLU- 50 - HN GLU- 18 2.381% * 0.3627% (0.64 0.02 0.02) = 0.363% HG3 GLU- 18 - HN GLU- 10 2.381% * 0.3572% (0.63 0.02 0.02) = 0.357% HG2 MET 126 - HN GLU- 10 2.381% * 0.3379% (0.60 0.02 0.02) = 0.338% HG3 GLN 102 - HN GLU- 10 2.381% * 0.2983% (0.53 0.02 0.02) = 0.298% HG3 GLN 102 - HN GLU- 18 2.381% * 0.2747% (0.49 0.02 0.77) = 0.275% HG3 GLU- 109 - HN GLU- 10 2.381% * 0.2394% (0.42 0.02 0.02) = 0.239% HB2 PRO 52 - HN GLU- 10 2.381% * 0.2394% (0.42 0.02 0.02) = 0.239% HG3 GLU- 109 - HN GLU- 18 2.381% * 0.2205% (0.39 0.02 0.02) = 0.220% HB2 PRO 52 - HN GLU- 18 2.381% * 0.2205% (0.39 0.02 0.02) = 0.220% HB VAL 99 - HN GLU- 10 2.381% * 0.1095% (0.19 0.02 0.02) = 0.110% HG2 PRO 112 - HN GLU- 107 2.381% * 0.1013% (0.18 0.02 0.02) = 0.101% HB VAL 99 - HN GLU- 18 2.381% * 0.1008% (0.18 0.02 0.02) = 0.101% HG3 MET 126 - HN GLU- 107 2.381% * 0.0979% (0.17 0.02 0.02) = 0.098% HB3 PRO 104 - HN GLU- 10 2.381% * 0.0973% (0.17 0.02 0.02) = 0.097% HG3 MET 97 - HN GLU- 107 2.381% * 0.0910% (0.16 0.02 0.02) = 0.091% HA1 GLY 58 - HN GLU- 107 2.381% * 0.0910% (0.16 0.02 0.02) = 0.091% HB3 PRO 104 - HN GLU- 18 2.381% * 0.0896% (0.16 0.02 0.02) = 0.090% HB2 GLU- 50 - HN GLU- 107 2.381% * 0.0812% (0.14 0.02 0.02) = 0.081% HB3 GLU- 45 - HN GLU- 10 2.381% * 0.0759% (0.13 0.02 0.85) = 0.076% HG3 GLU- 18 - HN GLU- 107 2.381% * 0.0737% (0.13 0.02 0.02) = 0.074% HB3 GLU- 45 - HN GLU- 18 2.381% * 0.0699% (0.12 0.02 0.02) = 0.070% HG2 MET 126 - HN GLU- 107 2.381% * 0.0697% (0.12 0.02 0.02) = 0.070% HB3 GLU- 75 - HN GLU- 10 2.381% * 0.0689% (0.12 0.02 0.02) = 0.069% HG3 GLN 102 - HN GLU- 107 2.381% * 0.0615% (0.11 0.02 0.02) = 0.062% HG3 GLU- 109 - HN GLU- 107 2.381% * 0.0494% (0.09 0.02 0.02) = 0.049% HB2 PRO 52 - HN GLU- 107 2.381% * 0.0494% (0.09 0.02 0.02) = 0.049% HB VAL 99 - HN GLU- 107 2.381% * 0.0226% (0.04 0.02 0.02) = 0.023% HB3 PRO 104 - HN GLU- 107 2.381% * 0.0201% (0.04 0.02 0.02) = 0.020% HB3 GLU- 45 - HN GLU- 107 2.381% * 0.0157% (0.03 0.02 0.02) = 0.016% Peak 1271 (1.75, 8.34, 118.74 ppm): 8 chemical-shift based assignments, quality = 0.87, support = 1.58, residual support = 0.757: HB ILE 48 - HN GLU- 50 12.500% * 35.4549% (0.80 2.38 0.87) = 35.455% kept HD3 PRO 59 - HN GLU- 50 12.500% * 30.0029% (0.92 1.75 0.83) = 30.003% kept HB2 LEU 17 - HN GLU- 50 12.500% * 14.2328% (0.99 0.77 0.45) = 14.233% kept HB3 LEU 23 - HN GLU- 50 12.500% * 9.0117% (0.92 0.53 1.50) = 9.012% kept HB2 LYS+ 117 - HN GLU- 50 12.500% * 8.8893% (0.94 0.51 0.02) = 8.889% kept HG2 ARG+ 84 - HN GLU- 50 12.500% * 1.7567% (0.28 0.34 0.02) = 1.757% kept HB3 GLU- 18 - HN GLU- 50 12.500% * 0.5589% (0.31 0.10 0.02) = 0.559% HB2 ARG+ 84 - HN GLU- 50 12.500% * 0.0927% (0.25 0.02 0.02) = 0.093% Peak 1272 (4.19, 8.34, 118.74 ppm): 7 chemical-shift based assignments, quality = 0.774, support = 2.98, residual support = 16.8: HB3 SER 49 - HN GLU- 50 14.286% * 94.1312% (0.79 3.16 17.80) = 94.131% kept HA VAL 73 - HN GLU- 50 14.286% * 4.4295% (0.64 0.18 0.02) = 4.429% kept HA VAL 65 - HN GLU- 50 14.286% * 0.5407% (0.72 0.02 0.02) = 0.541% HA ASP- 82 - HN GLU- 50 14.286% * 0.5114% (0.68 0.02 0.02) = 0.511% HA GLU- 12 - HN GLU- 50 14.286% * 0.1857% (0.25 0.02 0.02) = 0.186% HB THR 106 - HN GLU- 50 14.286% * 0.1008% (0.13 0.02 0.02) = 0.101% HA VAL 105 - HN GLU- 50 14.286% * 0.1008% (0.13 0.02 0.02) = 0.101% Reference assignment not found: HA SER 49 - HN GLU- 50 Peak 1273 (4.56, 7.59, 122.90 ppm): 4 chemical-shift based assignments, quality = 0.62, support = 4.48, residual support = 41.6: * O HA LYS+ 78 - HN LYS+ 78 25.000% * 99.8018% (0.62 10.0 4.49 41.73) = 99.802% kept HA LEU 17 - HN LYS+ 78 25.000% * 0.1163% (0.72 1.0 0.02 0.02) = 0.116% HA ALA 103 - HN LYS+ 78 25.000% * 0.0496% (0.31 1.0 0.02 0.02) = 0.050% HA LYS+ 72 - HN LYS+ 78 25.000% * 0.0323% (0.20 1.0 0.02 0.02) = 0.032% Peak 1274 (5.37, 9.03, 108.30 ppm): 1 chemical-shift based assignment, quality = 0.99, support = 4.22, residual support = 27.8: * O HA THR 79 - HN THR 79 100.000% *100.0000% (0.99 10.0 4.22 27.82) = 100.000% kept Peak 1275 (4.51, 9.03, 108.30 ppm): 6 chemical-shift based assignments, quality = 0.742, support = 3.71, residual support = 26.4: * O HB THR 79 - HN THR 79 16.667% * 94.8208% (0.76 10.0 3.84 27.82) = 94.821% kept HA SER 77 - HN THR 79 16.667% * 4.3580% (0.41 1.0 1.71 0.02) = 4.358% kept HB THR 46 - HN THR 79 16.667% * 0.6081% (0.96 1.0 0.10 0.02) = 0.608% HA LYS+ 55 - HN THR 79 16.667% * 0.1197% (0.96 1.0 0.02 0.02) = 0.120% HA CYS 123 - HN THR 79 16.667% * 0.0510% (0.41 1.0 0.02 0.02) = 0.051% HA ALA 103 - HN THR 79 16.667% * 0.0423% (0.34 1.0 0.02 0.02) = 0.042% Peak 1276 (2.62, 9.03, 108.30 ppm): 6 chemical-shift based assignments, quality = 0.317, support = 2.75, residual support = 9.19: * HB3 ASP- 82 - HN THR 79 16.667% * 86.9440% (0.28 3.15 10.53) = 86.944% kept HB2 PHE 34 - HN THR 79 16.667% * 5.8335% (0.49 0.12 0.02) = 5.833% kept HG2 MET 118 - HN THR 79 16.667% * 3.0522% (0.37 0.08 0.02) = 3.052% kept HB2 ASP- 25 - HN THR 79 16.667% * 1.9455% (0.98 0.02 0.02) = 1.945% kept HE3 LYS+ 20 - HN THR 79 16.667% * 1.8322% (0.92 0.02 1.30) = 1.832% kept HB3 ASP- 36 - HN THR 79 16.667% * 0.3928% (0.20 0.02 0.02) = 0.393% Peak 1277 (3.70, 7.53, 115.71 ppm): 3 chemical-shift based assignments, quality = 0.957, support = 3.99, residual support = 17.1: O HA LYS+ 81 - HN ASP- 82 33.333% * 98.2413% (0.96 10.0 4.06 17.41) = 98.241% kept HB3 SER 69 - HN ASP- 82 33.333% * 1.6587% (0.78 1.0 0.41 0.02) = 1.659% kept HB2 TRP 51 - HN ASP- 82 33.333% * 0.1000% (0.98 1.0 0.02 0.02) = 0.100% Peak 1279 (3.42, 7.53, 115.71 ppm): 2 chemical-shift based assignments, quality = 0.583, support = 0.906, residual support = 0.834: HA ILE 48 - HN ASP- 82 50.000% * 96.3528% (0.59 0.94 0.86) = 96.353% kept HA VAL 62 - HN ASP- 82 50.000% * 3.6472% (0.27 0.08 0.02) = 3.647% kept Peak 1280 (1.31, 7.53, 115.71 ppm): 6 chemical-shift based assignments, quality = 0.564, support = 2.33, residual support = 5.05: QG2 THR 46 - HN ASP- 82 16.667% * 44.4507% (0.78 2.08 0.98) = 44.451% kept HG2 LYS+ 81 - HN ASP- 82 16.667% * 25.0255% (0.19 4.73 17.41) = 25.025% kept HB2 ARG+ 22 - HN ASP- 82 16.667% * 13.8508% (0.44 1.15 1.65) = 13.851% kept QB ALA 103 - HN ASP- 82 16.667% * 6.2429% (0.90 0.25 0.02) = 6.243% kept HB2 LYS+ 55 - HN ASP- 82 16.667% * 5.4900% (0.67 0.30 0.12) = 5.490% kept HG13 ILE 101 - HN ASP- 82 16.667% * 4.9403% (0.24 0.74 0.52) = 4.940% kept Reference assignment not found: HG3 LYS+ 81 - HN ASP- 82 Peak 1281 (0.89, 7.59, 122.90 ppm): 9 chemical-shift based assignments, quality = 0.737, support = 0.336, residual support = 0.138: * QG2 VAL 40 - HN LYS+ 78 11.111% * 28.5471% (0.87 0.36 0.43) = 28.547% kept QD1 LEU 67 - HN LYS+ 78 11.111% * 20.3028% (0.77 0.29 0.02) = 20.303% kept QG1 VAL 80 - HN LYS+ 78 11.111% * 16.9474% (0.89 0.21 0.02) = 16.947% kept QG2 VAL 80 - HN LYS+ 78 11.111% * 13.5033% (0.18 0.82 0.02) = 13.503% kept HG3 LYS+ 117 - HN LYS+ 78 11.111% * 10.1997% (0.71 0.16 0.02) = 10.200% kept QG1 VAL 47 - HN LYS+ 78 11.111% * 7.5409% (0.83 0.10 0.02) = 7.541% kept QG2 VAL 87 - HN LYS+ 78 11.111% * 1.5661% (0.87 0.02 0.02) = 1.566% kept QG2 VAL 125 - HN LYS+ 78 11.111% * 1.1372% (0.63 0.02 0.02) = 1.137% kept QG2 ILE 100 - HN LYS+ 78 11.111% * 0.2554% (0.14 0.02 0.02) = 0.255% Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1282 (0.90, 9.03, 108.30 ppm): 10 chemical-shift based assignments, quality = 0.797, support = 1.58, residual support = 12.0: QG1 VAL 80 - HN THR 79 10.000% * 44.9523% (0.90 1.97 16.15) = 44.952% kept QG2 VAL 40 - HN THR 79 10.000% * 21.0559% (0.99 0.83 8.54) = 21.056% kept QG2 VAL 80 - HN THR 79 10.000% * 18.3959% (0.28 2.60 16.15) = 18.396% kept HG3 LYS+ 117 - HN THR 79 10.000% * 8.3458% (0.87 0.38 0.02) = 8.346% kept QD1 LEU 67 - HN THR 79 10.000% * 2.7273% (0.92 0.12 0.02) = 2.727% kept QG2 VAL 87 - HN THR 79 10.000% * 1.9600% (0.99 0.08 0.02) = 1.960% kept QG1 VAL 47 - HN THR 79 10.000% * 1.8540% (0.96 0.08 0.02) = 1.854% kept HG12 ILE 68 - HN THR 79 10.000% * 0.3200% (0.15 0.08 0.02) = 0.320% QG2 VAL 125 - HN THR 79 10.000% * 0.2881% (0.57 0.02 0.02) = 0.288% HG3 LYS+ 110 - HN THR 79 10.000% * 0.1007% (0.20 0.02 0.02) = 0.101% Peak 1283 (1.75, 8.96, 124.53 ppm): 27 chemical-shift based assignments, quality = 0.913, support = 4.29, residual support = 80.7: * O HB2 LEU 17 - HN LEU 17 3.704% * 88.3395% (1.00 10.0 4.46 88.43) = 88.340% kept HB2 LEU 17 - HN ILE 19 3.704% * 4.5858% (0.36 1.0 2.89 13.75) = 4.586% kept HB3 GLU- 18 - HN LEU 17 3.704% * 3.9726% (0.34 1.0 2.63 33.06) = 3.973% kept HB3 GLU- 18 - HN ILE 19 3.704% * 2.4940% (0.12 1.0 4.60 25.23) = 2.494% kept HD3 PRO 59 - HN LEU 17 3.704% * 0.0838% (0.94 1.0 0.02 0.02) = 0.084% HB2 LYS+ 117 - HN LEU 17 3.704% * 0.0817% (0.92 1.0 0.02 0.02) = 0.082% HB3 LEU 23 - HN LEU 17 3.704% * 0.0794% (0.90 1.0 0.02 0.13) = 0.079% HB ILE 48 - HN LEU 17 3.704% * 0.0677% (0.76 1.0 0.02 0.02) = 0.068% HD3 PRO 59 - HN ILE 19 3.704% * 0.0301% (0.34 1.0 0.02 0.02) = 0.030% HB2 LYS+ 117 - HN ILE 19 3.704% * 0.0293% (0.33 1.0 0.02 0.02) = 0.029% HB3 LEU 23 - HN ILE 19 3.704% * 0.0285% (0.32 1.0 0.02 0.02) = 0.029% HG2 ARG+ 84 - HN LEU 17 3.704% * 0.0273% (0.31 1.0 0.02 1.73) = 0.027% HB2 ARG+ 84 - HN LEU 17 3.704% * 0.0246% (0.28 1.0 0.02 1.73) = 0.025% HB ILE 48 - HN ILE 19 3.704% * 0.0243% (0.27 1.0 0.02 0.02) = 0.024% HB2 LEU 17 - HN THR 96 3.704% * 0.0168% (0.19 1.0 0.02 0.22) = 0.017% HD3 PRO 59 - HN THR 96 3.704% * 0.0159% (0.18 1.0 0.02 0.02) = 0.016% HB2 LYS+ 117 - HN THR 96 3.704% * 0.0155% (0.17 1.0 0.02 0.02) = 0.015% HB3 LEU 23 - HN THR 96 3.704% * 0.0151% (0.17 1.0 0.02 0.02) = 0.015% HG3 ARG+ 53 - HN LEU 17 3.704% * 0.0137% (0.15 1.0 0.02 0.02) = 0.014% HB ILE 48 - HN THR 96 3.704% * 0.0128% (0.14 1.0 0.02 0.02) = 0.013% HG2 ARG+ 84 - HN ILE 19 3.704% * 0.0098% (0.11 1.0 0.02 0.02) = 0.010% HB2 ARG+ 84 - HN ILE 19 3.704% * 0.0088% (0.10 1.0 0.02 0.02) = 0.009% HB3 GLU- 18 - HN THR 96 3.704% * 0.0057% (0.06 1.0 0.02 0.02) = 0.006% HG2 ARG+ 84 - HN THR 96 3.704% * 0.0052% (0.06 1.0 0.02 0.02) = 0.005% HG3 ARG+ 53 - HN ILE 19 3.704% * 0.0049% (0.06 1.0 0.02 0.02) = 0.005% HB2 ARG+ 84 - HN THR 96 3.704% * 0.0047% (0.05 1.0 0.02 0.02) = 0.005% HG3 ARG+ 53 - HN THR 96 3.704% * 0.0026% (0.03 1.0 0.02 0.02) = 0.003% Peak 1285 (3.44, 8.16, 114.88 ppm): 6 chemical-shift based assignments, quality = 0.683, support = 3.73, residual support = 24.4: * O HA VAL 40 - HN SER 41 16.667% * 99.5542% (0.69 10.0 3.75 24.52) = 99.554% kept HA VAL 62 - HN SER 41 16.667% * 0.1446% (1.00 1.0 0.02 0.02) = 0.145% HA ILE 48 - HN SER 41 16.667% * 0.1257% (0.87 1.0 0.02 0.02) = 0.126% HA VAL 80 - HN SER 41 16.667% * 0.0938% (0.65 1.0 0.02 0.02) = 0.094% HD3 PRO 31 - HN SER 41 16.667% * 0.0494% (0.34 1.0 0.02 0.02) = 0.049% HA1 GLY 71 - HN SER 41 16.667% * 0.0323% (0.22 1.0 0.02 0.02) = 0.032% Peak 1286 (1.37, 8.71, 122.58 ppm): 8 chemical-shift based assignments, quality = 0.846, support = 2.37, residual support = 1.73: QG2 THR 39 - HN VAL 40 12.500% * 54.8407% (0.79 3.62 2.95) = 54.841% kept HG2 LYS+ 78 - HN VAL 40 12.500% * 23.6122% (0.94 1.32 0.43) = 23.612% kept HB3 LYS+ 20 - HN VAL 40 12.500% * 7.8513% (0.95 0.43 0.02) = 7.851% kept QB ALA 11 - HN VAL 40 12.500% * 6.5429% (0.97 0.35 0.02) = 6.543% kept HB3 LEU 17 - HN VAL 40 12.500% * 5.2159% (0.83 0.33 0.02) = 5.216% kept HG3 LYS+ 81 - HN VAL 40 12.500% * 1.3755% (0.72 0.10 0.02) = 1.376% kept HD3 LYS+ 20 - HN VAL 40 12.500% * 0.3318% (0.22 0.08 0.02) = 0.332% HG13 ILE 68 - HN VAL 40 12.500% * 0.2296% (0.60 0.02 0.02) = 0.230% Peak 1287 (1.09, 8.71, 122.58 ppm): 3 chemical-shift based assignments, quality = 0.814, support = 2.53, residual support = 7.67: QG2 THR 79 - HN VAL 40 33.333% * 89.8092% (0.83 2.77 8.54) = 89.809% kept QG2 THR 95 - HN VAL 40 33.333% * 10.0183% (0.72 0.36 0.02) = 10.018% kept QG2 THR 61 - HN VAL 40 33.333% * 0.1726% (0.22 0.02 0.02) = 0.173% Peak 1288 (0.91, 9.25, 131.84 ppm): 13 chemical-shift based assignments, quality = 0.814, support = 1.78, residual support = 6.27: * QD1 LEU 67 - HN ILE 100 7.692% * 71.3411% (0.94 2.31 8.63) = 71.341% kept HG12 ILE 68 - HN ILE 100 7.692% * 11.6565% (0.48 0.73 0.93) = 11.656% kept QG2 VAL 80 - HN ILE 100 7.692% * 9.6307% (0.68 0.43 0.02) = 9.631% kept QG1 VAL 80 - HN ILE 100 7.692% * 4.1136% (0.48 0.26 0.02) = 4.114% kept HG3 LYS+ 117 - HN ILE 100 7.692% * 0.6411% (0.98 0.02 0.02) = 0.641% QG1 VAL 47 - HN ILE 100 7.692% * 0.5866% (0.89 0.02 0.02) = 0.587% QG2 VAL 87 - HN ILE 100 7.692% * 0.5463% (0.83 0.02 0.35) = 0.546% QG2 VAL 40 - HN ILE 100 7.692% * 0.5463% (0.83 0.02 0.02) = 0.546% HG3 LYS+ 110 - HN ILE 100 7.692% * 0.3703% (0.56 0.02 0.02) = 0.370% QG2 VAL 105 - HN ILE 100 7.692% * 0.1631% (0.25 0.02 0.02) = 0.163% QD1 LEU 17 - HN ILE 100 7.692% * 0.1456% (0.22 0.02 0.02) = 0.146% QG2 VAL 125 - HN ILE 100 7.692% * 0.1294% (0.20 0.02 0.02) = 0.129% QG1 VAL 105 - HN ILE 100 7.692% * 0.1294% (0.20 0.02 0.02) = 0.129% Peak 1290 (1.17, 8.24, 123.72 ppm): 5 chemical-shift based assignments, quality = 0.853, support = 0.464, residual support = 13.0: HB2 LEU 74 - HN LEU 67 20.000% * 71.7730% (0.84 0.60 17.09) = 71.773% kept HB2 LEU 43 - HN LEU 67 20.000% * 19.5563% (0.99 0.14 3.85) = 19.556% kept QB ALA 33 - HN LEU 67 20.000% * 3.3596% (0.31 0.08 0.02) = 3.360% kept QG2 THR 106 - HN LEU 67 20.000% * 2.8411% (1.00 0.02 0.02) = 2.841% kept HG3 PRO 59 - HN LEU 67 20.000% * 2.4700% (0.87 0.02 0.80) = 2.470% kept Peak 1291 (4.25, 8.83, 118.01 ppm): 20 chemical-shift based assignments, quality = 0.977, support = 2.68, residual support = 12.5: * O HA PRO 59 - HN LYS+ 60 5.000% * 97.2995% (1.00 10.0 2.74 12.86) = 97.300% kept HA GLU- 75 - HN LYS+ 60 5.000% * 1.7241% (0.52 1.0 0.67 0.18) = 1.724% kept HA ALA 11 - HN LYS+ 60 5.000% * 0.0898% (0.92 1.0 0.02 0.02) = 0.090% HA GLU- 54 - HN LYS+ 60 5.000% * 0.0873% (0.89 1.0 0.02 0.02) = 0.087% HA GLU- 10 - HN LYS+ 60 5.000% * 0.0873% (0.89 1.0 0.02 0.02) = 0.087% HA LYS+ 108 - HN LYS+ 60 5.000% * 0.0873% (0.89 1.0 0.02 0.02) = 0.087% HA ASN 76 - HN LYS+ 60 5.000% * 0.0844% (0.86 1.0 0.02 0.15) = 0.084% HA ASN 119 - HN LYS+ 60 5.000% * 0.0813% (0.83 1.0 0.02 0.02) = 0.081% HA GLU- 107 - HN LYS+ 60 5.000% * 0.0813% (0.83 1.0 0.02 0.02) = 0.081% HA ALA 42 - HN LYS+ 60 5.000% * 0.0707% (0.72 1.0 0.02 0.02) = 0.071% HA SER 49 - HN LYS+ 60 5.000% * 0.0629% (0.64 1.0 0.02 0.02) = 0.063% HA GLU- 64 - HN LYS+ 60 5.000% * 0.0474% (0.48 1.0 0.02 0.02) = 0.047% HA GLU- 109 - HN LYS+ 60 5.000% * 0.0436% (0.45 1.0 0.02 0.02) = 0.044% HB3 SER 49 - HN LYS+ 60 5.000% * 0.0346% (0.35 1.0 0.02 0.02) = 0.035% HA GLU- 56 - HN LYS+ 60 5.000% * 0.0332% (0.34 1.0 0.02 0.02) = 0.033% HA GLU- 12 - HN LYS+ 60 5.000% * 0.0193% (0.20 1.0 0.02 0.02) = 0.019% HA PRO 52 - HN LYS+ 60 5.000% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% HA ARG+ 84 - HN LYS+ 60 5.000% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% HA SER 85 - HN LYS+ 60 5.000% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% HA VAL 94 - HN LYS+ 60 5.000% * 0.0150% (0.15 1.0 0.02 0.02) = 0.015% Peak 1292 (1.57, 7.88, 121.81 ppm): 11 chemical-shift based assignments, quality = 0.534, support = 2.91, residual support = 14.5: * O HB3 LEU 90 - HN LEU 90 9.091% * 74.6724% (0.45 10.0 3.55 19.40) = 74.672% kept HB ILE 19 - HN LEU 90 9.091% * 12.3648% (0.94 1.0 1.57 0.29) = 12.365% kept HG LEU 17 - HN LEU 90 9.091% * 3.7770% (0.92 1.0 0.49 0.17) = 3.777% kept HB3 LYS+ 32 - HN LEU 90 9.091% * 2.6624% (0.69 1.0 0.47 0.21) = 2.662% kept HD3 LYS+ 81 - HN LEU 90 9.091% * 2.2943% (0.80 1.0 0.34 0.02) = 2.294% kept HD3 LYS+ 32 - HN LEU 90 9.091% * 1.6598% (0.22 1.0 0.90 0.21) = 1.660% kept HG12 ILE 29 - HN LEU 90 9.091% * 1.5030% (0.53 1.0 0.34 0.02) = 1.503% kept QG2 THR 24 - HN LEU 90 9.091% * 0.5062% (0.25 1.0 0.24 0.02) = 0.506% QB ALA 42 - HN LEU 90 9.091% * 0.3589% (0.53 1.0 0.08 0.02) = 0.359% HD3 LYS+ 60 - HN LEU 90 9.091% * 0.1445% (0.87 1.0 0.02 0.02) = 0.144% HG13 ILE 29 - HN LEU 90 9.091% * 0.0568% (0.34 1.0 0.02 0.02) = 0.057% Peak 1293 (1.37, 7.88, 121.81 ppm): 8 chemical-shift based assignments, quality = 0.875, support = 0.61, residual support = 0.12: HG2 LYS+ 78 - HN LEU 90 12.500% * 24.2243% (0.87 0.86 0.02) = 24.224% kept HB3 LEU 17 - HN LEU 90 12.500% * 21.1912% (0.92 0.71 0.17) = 21.191% kept HB3 LYS+ 20 - HN LEU 90 12.500% * 14.1428% (1.00 0.44 0.02) = 14.143% kept QB ALA 11 - HN LEU 90 12.500% * 13.4387% (1.00 0.41 0.02) = 13.439% kept QG2 THR 39 - HN LEU 90 12.500% * 12.7012% (0.69 0.57 0.55) = 12.701% kept HG3 LYS+ 81 - HN LEU 90 12.500% * 12.6420% (0.83 0.47 0.02) = 12.642% kept HD3 LYS+ 20 - HN LEU 90 12.500% * 1.3434% (0.15 0.27 0.02) = 1.343% kept HG13 ILE 68 - HN LEU 90 12.500% * 0.3165% (0.49 0.02 0.02) = 0.316% Peak 1294 (-0.03, 7.88, 121.81 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.112: QD1 LEU 74 - HN LEU 90 100.000% *100.0000% (0.98 0.02 0.11) = 100.000% kept Not enough support, support cutoff is 0.28 Peak unassigned. Peak 1295 (1.61, 8.29, 124.59 ppm): 10 chemical-shift based assignments, quality = 0.82, support = 0.9, residual support = 0.235: HB3 PRO 52 - HN ALA 91 10.000% * 35.6111% (0.88 1.24 0.50) = 35.611% kept HG2 LYS+ 110 - HN ALA 91 10.000% * 24.3100% (0.91 0.81 0.13) = 24.310% kept HG3 LYS+ 78 - HN ALA 91 10.000% * 22.1139% (0.76 0.89 0.11) = 22.114% kept HD3 LYS+ 32 - HN ALA 91 10.000% * 12.1098% (0.79 0.47 0.02) = 12.110% kept HB3 LYS+ 32 - HN ALA 91 10.000% * 3.0027% (0.34 0.27 0.02) = 3.003% kept HG LEU 43 - HN ALA 91 10.000% * 1.5940% (0.52 0.09 0.02) = 1.594% kept HB VAL 122 - HN ALA 91 10.000% * 0.3382% (0.52 0.02 0.02) = 0.338% HB ILE 68 - HN ALA 91 10.000% * 0.3382% (0.52 0.02 0.02) = 0.338% HG12 ILE 101 - HN ALA 91 10.000% * 0.3143% (0.48 0.02 0.02) = 0.314% HG LEU 23 - HN ALA 91 10.000% * 0.2678% (0.41 0.02 0.02) = 0.268% Peak 1296 (4.24, 8.29, 124.59 ppm): 15 chemical-shift based assignments, quality = 0.605, support = 0.502, residual support = 0.173: HA ALA 11 - HN ALA 91 6.667% * 23.1972% (0.59 0.63 0.32) = 23.197% kept HA GLU- 109 - HN ALA 91 6.667% * 21.5800% (0.70 0.50 0.29) = 21.580% kept HA GLU- 12 - HN ALA 91 6.667% * 21.4507% (0.41 0.84 0.14) = 21.451% kept HA LYS+ 108 - HN ALA 91 6.667% * 12.4786% (0.91 0.22 0.02) = 12.479% kept HB3 SER 49 - HN ALA 91 6.667% * 8.9128% (0.38 0.37 0.02) = 8.913% kept HA GLU- 10 - HN ALA 91 6.667% * 5.7429% (0.91 0.10 0.02) = 5.743% kept HA GLU- 54 - HN ALA 91 6.667% * 1.1333% (0.91 0.02 0.02) = 1.133% kept HA ALA 42 - HN ALA 91 6.667% * 1.0962% (0.88 0.02 0.02) = 1.096% kept HA SER 49 - HN ALA 91 6.667% * 1.0485% (0.84 0.02 0.02) = 1.049% kept HA PRO 59 - HN ALA 91 6.667% * 0.9853% (0.79 0.02 0.02) = 0.985% HA ASN 76 - HN ALA 91 6.667% * 0.6431% (0.52 0.02 0.02) = 0.643% HA ASN 119 - HN ALA 91 6.667% * 0.5976% (0.48 0.02 0.02) = 0.598% HA GLU- 107 - HN ALA 91 6.667% * 0.5976% (0.48 0.02 0.02) = 0.598% HA GLU- 75 - HN ALA 91 6.667% * 0.2832% (0.23 0.02 0.12) = 0.283% HA GLU- 64 - HN ALA 91 6.667% * 0.2529% (0.20 0.02 0.02) = 0.253% Reference assignment not found: HA ALA 91 - HN ALA 91 Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1297 (-0.03, 8.80, 119.98 ppm): 1 chemical-shift based assignment, quality = 0.689, support = 4.76, residual support = 42.0: * QD1 LEU 74 - HN SER 69 100.000% *100.0000% (0.69 4.76 42.02) = 100.000% kept Peak 1298 (4.65, 7.66, 116.50 ppm): 4 chemical-shift based assignments, quality = 0.336, support = 5.35, residual support = 65.4: * O HA TYR 83 - HN TYR 83 25.000% * 98.7249% (0.34 10.0 5.42 66.25) = 98.725% kept HA PRO 35 - HN TYR 83 25.000% * 0.7037% (0.57 1.0 0.09 0.02) = 0.704% HA ASN 89 - HN TYR 83 25.000% * 0.3204% (0.17 1.0 0.13 0.02) = 0.320% HA LYS+ 120 - HN TYR 83 25.000% * 0.2511% (0.87 1.0 0.02 0.02) = 0.251% Peak 1299 (4.51, 7.53, 115.71 ppm): 6 chemical-shift based assignments, quality = 0.831, support = 1.17, residual support = 4.95: HB THR 79 - HN ASP- 82 16.667% * 43.4142% (0.82 1.55 10.53) = 43.414% kept HB THR 46 - HN ASP- 82 16.667% * 36.8475% (0.90 1.19 0.98) = 36.847% kept HA LYS+ 55 - HN ASP- 82 16.667% * 9.8003% (0.97 0.29 0.12) = 9.800% kept HA CYS 123 - HN ASP- 82 16.667% * 4.8757% (0.48 0.30 0.02) = 4.876% kept HA SER 77 - HN ASP- 82 16.667% * 4.8757% (0.48 0.30 0.02) = 4.876% kept HA ALA 103 - HN ASP- 82 16.667% * 0.1866% (0.27 0.02 0.02) = 0.187% Reference assignment not found: HA THR 79 - HN ASP- 82 Peak 1300 (0.93, 8.24, 118.79 ppm): 33 chemical-shift based assignments, quality = 0.602, support = 2.01, residual support = 3.67: QG2 VAL 80 - HN LYS+ 81 3.030% * 22.7678% (0.64 3.42 9.98) = 22.768% kept QG1 VAL 105 - HN THR 106 3.030% * 15.2046% (0.56 2.62 4.01) = 15.205% kept QG2 VAL 105 - HN THR 106 3.030% * 14.0090% (0.56 2.39 4.01) = 14.009% kept QG2 VAL 73 - HN LYS+ 81 3.030% * 11.5463% (0.57 1.95 1.30) = 11.546% kept QG1 VAL 105 - HN LYS+ 81 3.030% * 8.1912% (0.88 0.90 0.31) = 8.191% kept QG2 VAL 105 - HN LYS+ 81 3.030% * 8.1592% (0.88 0.89 0.31) = 8.159% kept QG2 VAL 62 - HN LYS+ 81 3.030% * 6.1552% (0.68 0.88 0.12) = 6.155% kept QG2 VAL 80 - HN THR 106 3.030% * 4.0360% (0.41 0.95 0.30) = 4.036% kept HG12 ILE 68 - HN THR 106 3.030% * 3.0300% (0.51 0.58 0.02) = 3.030% kept QG2 VAL 73 - HN THR 106 3.030% * 2.4632% (0.36 0.65 0.11) = 2.463% kept QG2 VAL 105 - HN GLU- 45 3.030% * 0.7233% (0.06 1.19 0.32) = 0.723% QG1 VAL 105 - HN GLU- 45 3.030% * 0.6987% (0.06 1.16 0.32) = 0.699% QG2 VAL 73 - HN GLU- 45 3.030% * 0.4684% (0.04 1.19 1.63) = 0.468% HG12 ILE 68 - HN GLU- 45 3.030% * 0.3563% (0.05 0.65 0.02) = 0.356% QG2 VAL 62 - HN GLU- 45 3.030% * 0.3267% (0.04 0.70 0.50) = 0.327% HG3 LYS+ 110 - HN GLU- 45 3.030% * 0.3143% (0.05 0.62 0.11) = 0.314% QG2 ILE 29 - HN GLU- 45 3.030% * 0.2707% (0.04 0.73 0.15) = 0.271% QD1 LEU 17 - HN LYS+ 81 3.030% * 0.1831% (0.88 0.02 0.02) = 0.183% HG12 ILE 68 - HN LYS+ 81 3.030% * 0.1646% (0.79 0.02 0.02) = 0.165% HG3 LYS+ 110 - HN LYS+ 81 3.030% * 0.1533% (0.74 0.02 0.02) = 0.153% QG2 VAL 99 - HN GLU- 45 3.030% * 0.1410% (0.01 0.93 0.58) = 0.141% QD1 LEU 17 - HN THR 106 3.030% * 0.1168% (0.56 0.02 0.02) = 0.117% QG2 ILE 29 - HN LYS+ 81 3.030% * 0.1113% (0.54 0.02 0.02) = 0.111% HG3 LYS+ 110 - HN THR 106 3.030% * 0.0978% (0.47 0.02 0.02) = 0.098% QG2 VAL 62 - HN THR 106 3.030% * 0.0895% (0.43 0.02 0.02) = 0.089% QG2 ILE 29 - HN THR 106 3.030% * 0.0710% (0.34 0.02 0.02) = 0.071% QG2 VAL 99 - HN LYS+ 81 3.030% * 0.0458% (0.22 0.02 0.36) = 0.046% HG3 LYS+ 117 - HN LYS+ 81 3.030% * 0.0321% (0.15 0.02 0.02) = 0.032% QG2 VAL 99 - HN THR 106 3.030% * 0.0292% (0.14 0.02 0.02) = 0.029% HG3 LYS+ 117 - HN THR 106 3.030% * 0.0205% (0.10 0.02 0.02) = 0.021% QD1 LEU 17 - HN GLU- 45 3.030% * 0.0121% (0.06 0.02 0.02) = 0.012% QG2 VAL 80 - HN GLU- 45 3.030% * 0.0088% (0.04 0.02 0.02) = 0.009% HG3 LYS+ 117 - HN GLU- 45 3.030% * 0.0021% (0.01 0.02 0.02) = 0.002% Peak 1301 (1.93, 8.07, 122.75 ppm): 45 chemical-shift based assignments, quality = 0.231, support = 1.8, residual support = 21.1: O HB2 GLU- 75 - HN GLU- 75 2.222% * 87.5544% (0.24 10.0 2.00 24.11) = 87.554% kept HB ILE 29 - HN GLU- 75 2.222% * 2.0987% (0.37 1.0 0.32 0.02) = 2.099% kept HB VAL 13 - HN CYS 121 2.222% * 1.7589% (0.11 1.0 0.87 0.14) = 1.759% kept HB2 GLU- 75 - HN CYS 121 2.222% * 1.5564% (0.47 1.0 0.18 0.02) = 1.556% kept HG2 PRO 112 - HN GLU- 75 2.222% * 1.3810% (0.13 1.0 0.60 0.30) = 1.381% kept HB VAL 13 - HN GLU- 75 2.222% * 1.1832% (0.06 1.0 1.13 0.56) = 1.183% kept HB2 GLU- 75 - HN VAL 122 2.222% * 0.5601% (0.32 1.0 0.10 0.02) = 0.560% HB ILE 29 - HN CYS 121 2.222% * 0.2581% (0.71 1.0 0.02 0.02) = 0.258% HB2 PRO 116 - HN CYS 121 2.222% * 0.2430% (0.67 1.0 0.02 0.02) = 0.243% HB2 GLU- 10 - HN CYS 121 2.222% * 0.2430% (0.67 1.0 0.02 0.02) = 0.243% HB2 LEU 23 - HN CYS 121 2.222% * 0.2284% (0.63 1.0 0.02 0.02) = 0.228% HB ILE 29 - HN VAL 122 2.222% * 0.1760% (0.49 1.0 0.02 0.45) = 0.176% HB2 GLU- 10 - HN VAL 122 2.222% * 0.1658% (0.46 1.0 0.02 0.02) = 0.166% HB2 PRO 116 - HN VAL 122 2.222% * 0.1658% (0.46 1.0 0.02 0.02) = 0.166% HD3 LYS+ 63 - HN CYS 121 2.222% * 0.1597% (0.44 1.0 0.02 0.02) = 0.160% HB2 LEU 23 - HN VAL 122 2.222% * 0.1558% (0.43 1.0 0.02 0.02) = 0.156% HB2 PRO 112 - HN CYS 121 2.222% * 0.1347% (0.37 1.0 0.02 0.02) = 0.135% HB2 PRO 116 - HN GLU- 75 2.222% * 0.1251% (0.34 1.0 0.02 0.02) = 0.125% HB2 GLU- 10 - HN GLU- 75 2.222% * 0.1251% (0.34 1.0 0.02 0.02) = 0.125% HB3 LYS+ 55 - HN CYS 121 2.222% * 0.1180% (0.33 1.0 0.02 0.02) = 0.118% HB2 LEU 23 - HN GLU- 75 2.222% * 0.1175% (0.32 1.0 0.02 0.02) = 0.118% HD3 LYS+ 63 - HN VAL 122 2.222% * 0.1089% (0.30 1.0 0.02 0.02) = 0.109% HB3 GLN 102 - HN CYS 121 2.222% * 0.1082% (0.30 1.0 0.02 0.02) = 0.108% HG3 PRO 31 - HN CYS 121 2.222% * 0.1082% (0.30 1.0 0.02 0.02) = 0.108% HB2 PRO 112 - HN VAL 122 2.222% * 0.0919% (0.25 1.0 0.02 0.02) = 0.092% HG2 PRO 112 - HN CYS 121 2.222% * 0.0891% (0.25 1.0 0.02 0.02) = 0.089% HD3 LYS+ 63 - HN GLU- 75 2.222% * 0.0822% (0.23 1.0 0.02 0.02) = 0.082% HB3 LYS+ 55 - HN VAL 122 2.222% * 0.0805% (0.22 1.0 0.02 0.02) = 0.081% HB3 GLN 102 - HN VAL 122 2.222% * 0.0738% (0.20 1.0 0.02 0.02) = 0.074% HG3 PRO 31 - HN VAL 122 2.222% * 0.0738% (0.20 1.0 0.02 0.02) = 0.074% HB2 PRO 112 - HN GLU- 75 2.222% * 0.0693% (0.19 1.0 0.02 0.30) = 0.069% HG2 PRO 112 - HN VAL 122 2.222% * 0.0608% (0.17 1.0 0.02 0.02) = 0.061% HB3 LYS+ 55 - HN GLU- 75 2.222% * 0.0608% (0.17 1.0 0.02 0.02) = 0.061% HB2 PRO 35 - HN CYS 121 2.222% * 0.0586% (0.16 1.0 0.02 0.02) = 0.059% HB3 GLN 102 - HN GLU- 75 2.222% * 0.0557% (0.15 1.0 0.02 0.55) = 0.056% HG3 PRO 31 - HN GLU- 75 2.222% * 0.0557% (0.15 1.0 0.02 0.02) = 0.056% HB3 ARG+ 53 - HN CYS 121 2.222% * 0.0521% (0.14 1.0 0.02 0.02) = 0.052% HG3 PRO 116 - HN CYS 121 2.222% * 0.0461% (0.13 1.0 0.02 0.02) = 0.046% HB2 PRO 35 - HN VAL 122 2.222% * 0.0400% (0.11 1.0 0.02 0.02) = 0.040% HB3 ARG+ 53 - HN VAL 122 2.222% * 0.0355% (0.10 1.0 0.02 0.02) = 0.036% HG3 PRO 116 - HN VAL 122 2.222% * 0.0315% (0.09 1.0 0.02 0.02) = 0.031% HB2 PRO 35 - HN GLU- 75 2.222% * 0.0302% (0.08 1.0 0.02 0.02) = 0.030% HB VAL 13 - HN VAL 122 2.222% * 0.0277% (0.08 1.0 0.02 0.02) = 0.028% HB3 ARG+ 53 - HN GLU- 75 2.222% * 0.0268% (0.07 1.0 0.02 0.02) = 0.027% HG3 PRO 116 - HN GLU- 75 2.222% * 0.0237% (0.07 1.0 0.02 0.02) = 0.024% Peak 1302 (8.08, 8.07, 122.75 ppm): 3 diagonal assignments: HN CYS 121 - HN CYS 121 (0.70) kept HN GLU- 75 - HN GLU- 75 (0.37) kept * HN VAL 122 - HN VAL 122 (0.20) kept Peak 1304 (6.73, 8.07, 122.58 ppm): 6 chemical-shift based assignments, quality = 0.707, support = 1.58, residual support = 2.4: * QE TYR 83 - HN GLU- 75 16.667% * 76.1605% (0.76 1.99 2.23) = 76.161% kept HZ3 TRP 51 - HN CYS 121 16.667% * 10.1502% (0.59 0.34 0.02) = 10.150% kept HZ3 TRP 51 - HN VAL 122 16.667% * 5.6235% (0.26 0.42 12.43) = 5.624% kept QE TYR 83 - HN CYS 121 16.667% * 5.2272% (0.84 0.12 0.02) = 5.227% kept QE TYR 83 - HN VAL 122 16.667% * 2.3011% (0.38 0.12 0.02) = 2.301% kept HZ3 TRP 51 - HN GLU- 75 16.667% * 0.5374% (0.53 0.02 0.02) = 0.537% Peak 1305 (6.88, 6.87, 112.96 ppm): 1 diagonal assignment: HD22 ASN 15 - HD22 ASN 15 (0.11) kept Reference assignment not found: HD22 ASN 89 - HD22 ASN 89 Peak 1306 (2.79, 6.87, 112.96 ppm): 5 chemical-shift based assignments, quality = 0.164, support = 0.335, residual support = 0.857: HB2 ASN 119 - HD22 ASN 15 20.000% * 89.7997% (0.17 0.37 0.95) = 89.800% kept HA2 GLY 58 - HD22 ASN 15 20.000% * 3.3968% (0.12 0.02 0.02) = 3.397% kept HE3 LYS+ 32 - HD22 ASN 15 20.000% * 3.1848% (0.11 0.02 0.02) = 3.185% kept HE3 LYS+ 111 - HD22 ASN 15 20.000% * 2.1587% (0.08 0.02 0.02) = 2.159% kept HB3 ASN 89 - HD22 ASN 15 20.000% * 1.4599% (0.05 0.02 0.44) = 1.460% kept Reference assignment not found: HB3 ASN 89 - HD22 ASN 89 Not enough quality. Peak unassigned. Peak 1307 (2.78, 7.64, 112.96 ppm): 3 chemical-shift based assignments, quality = 0.905, support = 0.498, residual support = 1.43: HB2 ASN 119 - HD21 ASN 89 33.333% * 94.6402% (0.95 0.52 1.50) = 94.640% kept HE3 LYS+ 32 - HD21 ASN 89 33.333% * 4.4031% (0.22 0.10 0.02) = 4.403% kept HA2 GLY 58 - HD21 ASN 89 33.333% * 0.9567% (0.25 0.02 0.02) = 0.957% Reference assignment not found: HB3 ASN 89 - HD21 ASN 89 Peak 1308 (7.88, 8.29, 124.59 ppm): 4 chemical-shift based assignments, quality = 0.875, support = 2.65, residual support = 14.4: * T HN LEU 90 - HN ALA 91 25.000% * 95.3212% (0.88 10.00 2.73 15.11) = 95.321% kept HD22 ASN 89 - HN ALA 91 25.000% * 4.5246% (0.76 1.00 1.10 0.24) = 4.525% kept HN LYS+ 44 - HN ALA 91 25.000% * 0.0825% (0.76 1.00 0.02 0.02) = 0.083% HN THR 38 - HN ALA 91 25.000% * 0.0717% (0.66 1.00 0.02 0.90) = 0.072% Peak 1309 (8.21, 8.21, 121.18 ppm): 2 diagonal assignments: HN VAL 105 - HN VAL 105 (0.76) kept * HN VAL 94 - HN VAL 94 (0.24) kept Peak 1310 (7.81, 8.21, 121.46 ppm): 10 chemical-shift based assignments, quality = 0.726, support = 2.65, residual support = 10.2: * T HN ALA 93 - HN VAL 94 10.000% * 91.3020% (0.78 10.00 2.84 11.08) = 91.302% kept T HN THR 46 - HN VAL 105 10.000% * 4.8940% (0.09 10.00 0.96 0.88) = 4.894% kept T HN ALA 93 - HN VAL 105 10.000% * 1.8746% (0.20 10.00 0.16 0.02) = 1.875% kept HN LYS+ 63 - HN VAL 94 10.000% * 1.3525% (0.28 1.00 0.82 0.45) = 1.353% kept T HN THR 46 - HN VAL 94 10.000% * 0.3968% (0.34 10.00 0.02 0.02) = 0.397% HN LYS+ 55 - HN VAL 94 10.000% * 0.0931% (0.80 1.00 0.02 0.02) = 0.093% HN VAL 87 - HN VAL 94 10.000% * 0.0433% (0.37 1.00 0.02 0.02) = 0.043% HN LYS+ 55 - HN VAL 105 10.000% * 0.0240% (0.21 1.00 0.02 0.02) = 0.024% HN VAL 87 - HN VAL 105 10.000% * 0.0112% (0.10 1.00 0.02 0.02) = 0.011% HN LYS+ 63 - HN VAL 105 10.000% * 0.0085% (0.07 1.00 0.02 0.02) = 0.008% Peak 1311 (4.27, 8.21, 121.46 ppm): 42 chemical-shift based assignments, quality = 0.745, support = 3.83, residual support = 50.3: * O HA VAL 94 - HN VAL 94 2.381% * 94.4204% (0.78 10.0 4.02 53.27) = 94.420% kept HA LEU 90 - HN VAL 94 2.381% * 1.7763% (0.54 1.0 0.54 0.02) = 1.776% kept HB3 SER 49 - HN VAL 94 2.381% * 1.6328% (0.19 1.0 1.38 0.02) = 1.633% kept HA GLU- 56 - HN VAL 94 2.381% * 0.6561% (0.89 1.0 0.12 1.53) = 0.656% HA GLU- 64 - HN VAL 94 2.381% * 0.1067% (0.88 1.0 0.02 0.02) = 0.107% HA GLU- 75 - HN VAL 94 2.381% * 0.1050% (0.86 1.0 0.02 0.02) = 0.105% HA SER 85 - HN VAL 94 2.381% * 0.0976% (0.80 1.0 0.02 0.02) = 0.098% HA ARG+ 84 - HN VAL 94 2.381% * 0.0976% (0.80 1.0 0.02 0.02) = 0.098% HA PRO 52 - HN VAL 94 2.381% * 0.0976% (0.80 1.0 0.02 0.02) = 0.098% HB3 SER 49 - HN VAL 105 2.381% * 0.0830% (0.05 1.0 0.27 0.02) = 0.083% HA GLU- 107 - HN VAL 94 2.381% * 0.0790% (0.65 1.0 0.02 0.02) = 0.079% HA ASN 119 - HN VAL 94 2.381% * 0.0790% (0.65 1.0 0.02 0.02) = 0.079% HA VAL 122 - HN VAL 94 2.381% * 0.0748% (0.61 1.0 0.02 0.02) = 0.075% HA ASN 76 - HN VAL 94 2.381% * 0.0748% (0.61 1.0 0.02 0.02) = 0.075% HA ALA 11 - HN VAL 94 2.381% * 0.0660% (0.54 1.0 0.02 0.02) = 0.066% HB3 CYS 121 - HN VAL 94 2.381% * 0.0447% (0.37 1.0 0.02 0.02) = 0.045% HA PRO 59 - HN VAL 94 2.381% * 0.0409% (0.34 1.0 0.02 0.02) = 0.041% HA THR 106 - HN VAL 94 2.381% * 0.0336% (0.28 1.0 0.02 0.02) = 0.034% HA CYS 121 - HN VAL 94 2.381% * 0.0303% (0.25 1.0 0.02 0.02) = 0.030% HA GLU- 56 - HN VAL 105 2.381% * 0.0278% (0.23 1.0 0.02 0.02) = 0.028% HA GLU- 64 - HN VAL 105 2.381% * 0.0273% (0.22 1.0 0.02 0.02) = 0.027% HA GLU- 75 - HN VAL 105 2.381% * 0.0269% (0.22 1.0 0.02 0.02) = 0.027% HA SER 85 - HN VAL 105 2.381% * 0.0250% (0.21 1.0 0.02 0.02) = 0.025% HA PRO 52 - HN VAL 105 2.381% * 0.0250% (0.21 1.0 0.02 0.02) = 0.025% HA ARG+ 84 - HN VAL 105 2.381% * 0.0250% (0.21 1.0 0.02 0.02) = 0.025% HA VAL 94 - HN VAL 105 2.381% * 0.0242% (0.20 1.0 0.02 0.02) = 0.024% HA GLU- 107 - HN VAL 105 2.381% * 0.0202% (0.17 1.0 0.02 0.11) = 0.020% HA ASN 119 - HN VAL 105 2.381% * 0.0202% (0.17 1.0 0.02 0.02) = 0.020% HA ASN 76 - HN VAL 105 2.381% * 0.0191% (0.16 1.0 0.02 0.02) = 0.019% HA VAL 122 - HN VAL 105 2.381% * 0.0191% (0.16 1.0 0.02 0.02) = 0.019% HA LYS+ 108 - HN VAL 94 2.381% * 0.0191% (0.16 1.0 0.02 0.02) = 0.019% HA GLU- 10 - HN VAL 94 2.381% * 0.0191% (0.16 1.0 0.02 0.02) = 0.019% HA GLU- 54 - HN VAL 94 2.381% * 0.0191% (0.16 1.0 0.02 0.02) = 0.019% HA LEU 90 - HN VAL 105 2.381% * 0.0169% (0.14 1.0 0.02 0.02) = 0.017% HA ALA 11 - HN VAL 105 2.381% * 0.0169% (0.14 1.0 0.02 0.02) = 0.017% HB3 CYS 121 - HN VAL 105 2.381% * 0.0115% (0.09 1.0 0.02 0.02) = 0.011% HA PRO 59 - HN VAL 105 2.381% * 0.0105% (0.09 1.0 0.02 0.02) = 0.010% HA THR 106 - HN VAL 105 2.381% * 0.0086% (0.07 1.0 0.02 4.01) = 0.009% HA CYS 121 - HN VAL 105 2.381% * 0.0077% (0.06 1.0 0.02 0.02) = 0.008% HA GLU- 54 - HN VAL 105 2.381% * 0.0049% (0.04 1.0 0.02 0.02) = 0.005% HA GLU- 10 - HN VAL 105 2.381% * 0.0049% (0.04 1.0 0.02 0.02) = 0.005% HA LYS+ 108 - HN VAL 105 2.381% * 0.0049% (0.04 1.0 0.02 0.02) = 0.005% Peak 1312 (0.67, 8.21, 121.46 ppm): 14 chemical-shift based assignments, quality = 0.413, support = 2.5, residual support = 29.4: * QG2 VAL 94 - HN VAL 94 7.143% * 55.0352% (0.37 3.96 53.27) = 55.035% kept HG12 ILE 19 - HN VAL 94 7.143% * 14.8358% (0.40 0.98 0.38) = 14.836% kept QD1 ILE 19 - HN VAL 94 7.143% * 12.7439% (0.31 1.10 0.38) = 12.744% kept QG1 VAL 62 - HN VAL 94 7.143% * 9.8098% (0.83 0.31 0.02) = 9.810% kept QG2 ILE 48 - HN VAL 94 7.143% * 2.6794% (0.85 0.08 0.02) = 2.679% kept QG2 ILE 48 - HN VAL 105 7.143% * 2.1347% (0.22 0.26 0.02) = 2.135% kept QG2 ILE 68 - HN VAL 94 7.143% * 1.1730% (0.37 0.08 0.02) = 1.173% kept QG2 VAL 94 - HN VAL 105 7.143% * 0.8888% (0.09 0.25 0.02) = 0.889% QG2 ILE 101 - HN VAL 94 7.143% * 0.2639% (0.35 0.02 0.02) = 0.264% QG1 VAL 62 - HN VAL 105 7.143% * 0.1599% (0.21 0.02 0.02) = 0.160% HG12 ILE 19 - HN VAL 105 7.143% * 0.0777% (0.10 0.02 0.02) = 0.078% QG2 ILE 68 - HN VAL 105 7.143% * 0.0712% (0.09 0.02 0.60) = 0.071% QG2 ILE 101 - HN VAL 105 7.143% * 0.0675% (0.09 0.02 0.02) = 0.068% QD1 ILE 19 - HN VAL 105 7.143% * 0.0591% (0.08 0.02 0.02) = 0.059% Peak 1313 (0.83, 8.78, 126.61 ppm): 8 chemical-shift based assignments, quality = 0.751, support = 4.13, residual support = 18.1: * QG1 VAL 94 - HN THR 95 12.500% * 80.3026% (0.80 4.92 22.32) = 80.303% kept QD2 LEU 17 - HN THR 95 12.500% * 13.8918% (0.56 1.20 1.09) = 13.892% kept QG2 VAL 13 - HN THR 95 12.500% * 4.0724% (0.80 0.25 0.02) = 4.072% kept HG2 LYS+ 117 - HN THR 95 12.500% * 0.3993% (0.98 0.02 0.02) = 0.399% QD1 ILE 29 - HN THR 95 12.500% * 0.3993% (0.98 0.02 0.02) = 0.399% QG1 VAL 13 - HN THR 95 12.500% * 0.3993% (0.98 0.02 0.02) = 0.399% QD2 LEU 67 - HN THR 95 12.500% * 0.3528% (0.22 0.08 0.28) = 0.353% QD2 LEU 90 - HN THR 95 12.500% * 0.1826% (0.45 0.02 0.02) = 0.183% Peak 1315 (8.44, 8.43, 123.73 ppm): 2 diagonal assignments: * HN ARG+ 53 - HN ARG+ 53 (0.76) kept HN CYS 123 - HN CYS 123 (0.72) kept Peak 1316 (1.76, 8.74, 124.39 ppm): 11 chemical-shift based assignments, quality = 0.708, support = 0.394, residual support = 0.0443: HB3 GLU- 18 - HN GLU- 56 9.091% * 22.6456% (0.61 0.58 0.02) = 22.646% kept HD3 PRO 59 - HN GLU- 56 9.091% * 21.9981% (0.99 0.35 0.02) = 21.998% kept HB2 LEU 17 - HN GLU- 56 9.091% * 19.5975% (0.92 0.33 0.02) = 19.597% kept HB3 LEU 23 - HN GLU- 56 9.091% * 14.0063% (0.65 0.34 0.02) = 14.006% kept HG2 ARG+ 84 - HN GLU- 56 9.091% * 11.5177% (0.57 0.32 0.02) = 11.518% kept HG3 LYS+ 63 - HN GLU- 56 9.091% * 7.3569% (0.22 0.51 0.36) = 7.357% kept HB2 LYS+ 117 - HN GLU- 56 9.091% * 0.8830% (0.69 0.02 0.02) = 0.883% HB2 ARG+ 84 - HN GLU- 56 9.091% * 0.6763% (0.53 0.02 0.02) = 0.676% HB ILE 48 - HN GLU- 56 9.091% * 0.6257% (0.49 0.02 0.02) = 0.626% HG3 ARG+ 53 - HN GLU- 56 9.091% * 0.4385% (0.34 0.02 0.02) = 0.438% HG2 PRO 31 - HN GLU- 56 9.091% * 0.2544% (0.20 0.02 0.02) = 0.254% Reference assignment not found: HB3 LYS+ 55 - HN GLU- 56 Not enough total support, support cutoff is 0.56 Peak unassigned. Peak 1317 (1.43, 7.81, 122.18 ppm): 13 chemical-shift based assignments, quality = 0.937, support = 2.34, residual support = 9.0: * HG3 LYS+ 55 - HN LYS+ 55 7.692% * 60.9230% (0.96 3.22 14.29) = 60.923% kept HG3 LYS+ 113 - HN LYS+ 55 7.692% * 25.2711% (0.99 1.30 0.89) = 25.271% kept HD3 LYS+ 113 - HN LYS+ 55 7.692% * 8.4709% (0.94 0.46 0.89) = 8.471% kept HG2 PRO 59 - HN LYS+ 55 7.692% * 2.0913% (0.41 0.26 0.02) = 2.091% kept HG3 ARG+ 22 - HN LYS+ 55 7.692% * 1.5144% (0.96 0.08 0.02) = 1.514% kept HG LEU 90 - HN LYS+ 55 7.692% * 0.3782% (0.96 0.02 0.02) = 0.378% QG2 THR 38 - HN LYS+ 55 7.692% * 0.3399% (0.86 0.02 0.02) = 0.340% QB ALA 91 - HN LYS+ 55 7.692% * 0.3138% (0.80 0.02 0.02) = 0.314% HD3 LYS+ 44 - HN LYS+ 55 7.692% * 0.2692% (0.68 0.02 0.02) = 0.269% HG3 LYS+ 60 - HN LYS+ 55 7.692% * 0.1611% (0.41 0.02 0.02) = 0.161% QB ALA 37 - HN LYS+ 55 7.692% * 0.1090% (0.28 0.02 0.02) = 0.109% HG13 ILE 48 - HN LYS+ 55 7.692% * 0.0977% (0.25 0.02 0.02) = 0.098% HG LEU 67 - HN LYS+ 55 7.692% * 0.0605% (0.15 0.02 0.02) = 0.060% Peak 1318 (1.87, 7.21, 124.79 ppm): 14 chemical-shift based assignments, quality = 0.889, support = 3.18, residual support = 16.8: HD3 PRO 52 - HN TRP 51 7.143% * 86.9743% (0.99 3.60 19.28) = 86.974% kept HB3 GLN 16 - HN TRP 51 7.143% * 4.9139% (0.41 0.49 0.30) = 4.914% kept HB3 ARG+ 53 - HN TRP 51 7.143% * 2.5414% (0.13 0.77 0.02) = 2.541% kept HG2 GLU- 18 - HN TRP 51 7.143% * 1.3386% (0.41 0.13 0.02) = 1.339% kept HG2 PRO 112 - HN TRP 51 7.143% * 1.2861% (0.21 0.25 0.82) = 1.286% kept HB2 PRO 112 - HN TRP 51 7.143% * 0.6379% (0.18 0.14 0.82) = 0.638% HB3 ARG+ 84 - HN TRP 51 7.143% * 0.4862% (0.99 0.02 1.28) = 0.486% HG3 LYS+ 120 - HN TRP 51 7.143% * 0.4227% (0.86 0.02 0.02) = 0.423% HD2 PRO 59 - HN TRP 51 7.143% * 0.3539% (0.72 0.02 1.65) = 0.354% HB VAL 94 - HN TRP 51 7.143% * 0.3347% (0.68 0.02 0.02) = 0.335% HB2 PRO 104 - HN TRP 51 7.143% * 0.2185% (0.45 0.02 0.02) = 0.218% HB3 LYS+ 72 - HN TRP 51 7.143% * 0.2003% (0.41 0.02 0.02) = 0.200% HB3 LYS+ 60 - HN TRP 51 7.143% * 0.1829% (0.37 0.02 0.02) = 0.183% HB3 CYS 123 - HN TRP 51 7.143% * 0.1085% (0.22 0.02 0.02) = 0.108% Peak 1319 (1.71, 7.21, 124.79 ppm): 4 chemical-shift based assignments, quality = 0.56, support = 3.61, residual support = 13.6: HG2 PRO 52 - HN TRP 51 25.000% * 70.2317% (0.45 4.73 19.28) = 70.232% kept HB2 GLN 16 - HN TRP 51 25.000% * 28.5776% (0.86 0.99 0.30) = 28.578% kept HD3 LYS+ 55 - HN TRP 51 25.000% * 0.9863% (0.22 0.13 0.42) = 0.986% HG13 ILE 19 - HN TRP 51 25.000% * 0.2044% (0.31 0.02 0.02) = 0.204% Reference assignment not found: HB3 GLU- 50 - HN TRP 51 Peak 1320 (0.80, 7.21, 124.79 ppm): 5 chemical-shift based assignments, quality = 0.828, support = 1.65, residual support = 1.02: QD1 ILE 100 - HN TRP 51 20.000% * 72.5222% (0.99 1.88 1.36) = 72.522% kept QD2 LEU 17 - HN TRP 51 20.000% * 18.5811% (0.34 1.40 0.16) = 18.581% kept QD2 LEU 67 - HN TRP 51 20.000% * 6.4332% (0.72 0.23 0.02) = 6.433% kept QG1 VAL 94 - HN TRP 51 20.000% * 2.1150% (0.17 0.31 0.02) = 2.115% kept QD2 LEU 90 - HN TRP 51 20.000% * 0.3485% (0.45 0.02 0.02) = 0.348% Peak 1321 (3.27, 9.28, 130.07 ppm): 4 chemical-shift based assignments, quality = 0.459, support = 5.57, residual support = 39.3: * HD3 ARG+ 22 - HN LEU 23 25.000% * 97.2010% (0.47 5.73 40.42) = 97.201% kept HD2 PRO 52 - HN LEU 23 25.000% * 1.7652% (0.39 0.12 1.68) = 1.765% kept HD3 ARG+ 53 - HN LEU 23 25.000% * 0.5826% (0.80 0.02 0.20) = 0.583% HE3 LYS+ 63 - HN LEU 23 25.000% * 0.4512% (0.62 0.02 0.02) = 0.451% Peak 1322 (1.21, 8.94, 125.29 ppm): 3 chemical-shift based assignments, quality = 0.929, support = 4.49, residual support = 96.0: * O HB3 ARG+ 22 - HN ARG+ 22 33.333% * 96.2848% (0.94 10.0 4.63 99.72) = 96.285% kept HG12 ILE 100 - HN ARG+ 22 33.333% * 3.6172% (0.73 1.0 0.96 0.13) = 3.617% kept HB2 LEU 67 - HN ARG+ 22 33.333% * 0.0980% (0.95 1.0 0.02 0.70) = 0.098% Peak 1323 (2.17, 8.94, 125.29 ppm): 10 chemical-shift based assignments, quality = 0.676, support = 1.15, residual support = 3.47: * HB VAL 99 - HN ARG+ 22 10.000% * 33.0555% (0.50 2.02 9.22) = 33.055% kept HB2 ASP- 82 - HN ARG+ 22 10.000% * 23.7283% (0.73 1.00 1.65) = 23.728% kept HG2 GLN 102 - HN ARG+ 22 10.000% * 19.4782% (0.77 0.78 0.11) = 19.478% kept HG2 PRO 104 - HN ARG+ 22 10.000% * 15.3826% (0.95 0.50 0.02) = 15.383% kept HB VAL 47 - HN ARG+ 22 10.000% * 3.8480% (0.62 0.19 0.02) = 3.848% kept HB3 PRO 104 - HN ARG+ 22 10.000% * 3.2339% (0.54 0.18 0.02) = 3.234% kept HG2 PRO 112 - HN ARG+ 22 10.000% * 0.5976% (0.92 0.02 0.02) = 0.598% HB3 LYS+ 78 - HN ARG+ 22 10.000% * 0.3022% (0.47 0.02 0.02) = 0.302% HB3 GLU- 75 - HN ARG+ 22 10.000% * 0.2897% (0.45 0.02 0.02) = 0.290% HG2 MET 126 - HN ARG+ 22 10.000% * 0.0840% (0.13 0.02 0.02) = 0.084% Peak 1324 (2.74, 8.94, 125.29 ppm): 2 chemical-shift based assignments, quality = 0.639, support = 3.24, residual support = 15.5: * HB3 PHE 21 - HN ARG+ 22 50.000% * 76.1658% (0.58 3.98 20.17) = 76.166% kept HB3 ASP- 115 - HN ARG+ 22 50.000% * 23.8342% (0.83 0.87 0.44) = 23.834% kept Peak 1325 (2.92, 8.94, 125.29 ppm): 5 chemical-shift based assignments, quality = 0.894, support = 2.44, residual support = 6.45: HB2 HIS+ 98 - HN ARG+ 22 20.000% * 77.3471% (0.92 3.04 8.33) = 77.347% kept HE3 LYS+ 81 - HN ARG+ 22 20.000% * 10.8552% (0.77 0.51 0.02) = 10.855% kept HE3 LYS+ 60 - HN ARG+ 22 20.000% * 7.6059% (0.83 0.33 0.02) = 7.606% kept HB2 CYS 121 - HN ARG+ 22 20.000% * 3.8092% (0.90 0.15 0.02) = 3.809% kept HB3 ASN 57 - HN ARG+ 22 20.000% * 0.3826% (0.69 0.02 1.50) = 0.383% Reference assignment not found: HB2 PHE 21 - HN ARG+ 22 Peak 1326 (1.65, 8.94, 125.29 ppm): 13 chemical-shift based assignments, quality = 0.749, support = 4.44, residual support = 70.2: * HG2 ARG+ 22 - HN ARG+ 22 7.692% * 63.4918% (0.94 5.87 99.72) = 63.492% kept HG LEU 23 - HN ARG+ 22 7.692% * 16.5757% (0.43 3.35 40.42) = 16.576% kept HG12 ILE 101 - HN ARG+ 22 7.692% * 5.9425% (0.36 1.43 3.44) = 5.943% kept HB ILE 100 - HN ARG+ 22 7.692% * 5.5029% (0.50 0.95 0.13) = 5.503% kept HB3 LYS+ 66 - HN ARG+ 22 7.692% * 1.9260% (0.54 0.31 0.02) = 1.926% kept HB ILE 68 - HN ARG+ 22 7.692% * 1.7096% (0.33 0.45 0.02) = 1.710% kept HB3 MET 97 - HN ARG+ 22 7.692% * 1.5120% (0.39 0.33 0.93) = 1.512% kept HB3 MET 126 - HN ARG+ 22 7.692% * 1.4148% (0.33 0.38 0.02) = 1.415% kept HG3 ARG+ 84 - HN ARG+ 22 7.692% * 1.0786% (0.73 0.13 0.02) = 1.079% kept HB3 LYS+ 81 - HN ARG+ 22 7.692% * 0.4376% (0.21 0.18 0.02) = 0.438% HB VAL 122 - HN ARG+ 22 7.692% * 0.2993% (0.33 0.08 0.02) = 0.299% HG LEU 43 - HN ARG+ 22 7.692% * 0.0753% (0.33 0.02 0.14) = 0.075% HG3 LYS+ 78 - HN ARG+ 22 7.692% * 0.0341% (0.15 0.02 0.02) = 0.034% Peak 1327 (1.35, 9.28, 130.07 ppm): 6 chemical-shift based assignments, quality = 0.365, support = 5.59, residual support = 32.0: HB2 ARG+ 22 - HN LEU 23 16.667% * 79.0369% (0.33 6.92 40.42) = 79.037% kept HB3 LYS+ 20 - HN LEU 23 16.667% * 12.7286% (0.47 0.78 0.25) = 12.729% kept HB3 LEU 17 - HN LEU 23 16.667% * 7.2651% (0.66 0.32 0.13) = 7.265% kept HG3 LYS+ 81 - HN LEU 23 16.667% * 0.5365% (0.77 0.02 0.28) = 0.536% QB ALA 11 - HN LEU 23 16.667% * 0.3004% (0.43 0.02 0.02) = 0.300% HG2 LYS+ 78 - HN LEU 23 16.667% * 0.1326% (0.19 0.02 0.02) = 0.133% Peak 1328 (1.39, 9.28, 130.07 ppm): 11 chemical-shift based assignments, quality = 0.746, support = 1.03, residual support = 1.23: HG13 ILE 100 - HN LEU 23 9.091% * 33.1634% (0.69 1.64 3.44) = 33.163% kept HD3 LYS+ 20 - HN LEU 23 9.091% * 27.0737% (0.94 0.99 0.25) = 27.074% kept HG13 ILE 68 - HN LEU 23 9.091% * 14.3632% (0.83 0.60 0.02) = 14.363% kept HG LEU 67 - HN LEU 23 9.091% * 10.3742% (0.66 0.54 0.02) = 10.374% kept QB ALA 93 - HN LEU 23 9.091% * 9.5983% (0.69 0.48 0.02) = 9.598% kept HB3 LYS+ 20 - HN LEU 23 9.091% * 4.2945% (0.19 0.78 0.25) = 4.294% kept QG2 THR 39 - HN LEU 23 9.091% * 0.3819% (0.66 0.02 0.02) = 0.382% HG2 LYS+ 78 - HN LEU 23 9.091% * 0.2706% (0.47 0.02 0.02) = 0.271% QB ALA 37 - HN LEU 23 9.091% * 0.2706% (0.47 0.02 0.02) = 0.271% QB ALA 11 - HN LEU 23 9.091% * 0.1238% (0.21 0.02 0.02) = 0.124% HD3 LYS+ 44 - HN LEU 23 9.091% * 0.0858% (0.15 0.02 0.02) = 0.086% Peak 1329 (1.65, 9.28, 130.07 ppm): 13 chemical-shift based assignments, quality = 0.728, support = 5.54, residual support = 56.5: * HG2 ARG+ 22 - HN LEU 23 7.692% * 57.8809% (0.93 6.43 40.42) = 57.881% kept HG LEU 23 - HN LEU 23 7.692% * 27.3108% (0.46 6.18 120.20) = 27.311% kept HB ILE 100 - HN LEU 23 7.692% * 6.0299% (0.46 1.36 3.44) = 6.030% kept HG12 ILE 101 - HN LEU 23 7.692% * 3.8094% (0.39 1.02 0.50) = 3.809% kept HG3 ARG+ 84 - HN LEU 23 7.692% * 2.4577% (0.68 0.37 0.02) = 2.458% kept HB ILE 68 - HN LEU 23 7.692% * 1.1636% (0.35 0.34 0.02) = 1.164% kept HB VAL 122 - HN LEU 23 7.692% * 0.9919% (0.35 0.29 0.02) = 0.992% HB3 LYS+ 66 - HN LEU 23 7.692% * 0.0956% (0.49 0.02 0.02) = 0.096% HG LEU 43 - HN LEU 23 7.692% * 0.0682% (0.35 0.02 0.02) = 0.068% HB3 MET 97 - HN LEU 23 7.692% * 0.0682% (0.35 0.02 0.02) = 0.068% HB3 MET 126 - HN LEU 23 7.692% * 0.0561% (0.29 0.02 0.02) = 0.056% HB3 LYS+ 81 - HN LEU 23 7.692% * 0.0359% (0.19 0.02 0.28) = 0.036% HG3 LYS+ 78 - HN LEU 23 7.692% * 0.0318% (0.16 0.02 0.02) = 0.032% Peak 1330 (1.61, 9.07, 116.60 ppm): 10 chemical-shift based assignments, quality = 0.917, support = 3.9, residual support = 6.8: * HB3 PRO 52 - HN GLU- 54 10.000% * 79.1673% (0.98 4.74 8.58) = 79.167% kept HD3 LYS+ 32 - HN GLU- 54 10.000% * 10.9830% (0.93 0.69 0.02) = 10.983% kept HB3 LYS+ 32 - HN GLU- 54 10.000% * 7.0852% (0.48 0.87 0.02) = 7.085% kept HB VAL 122 - HN GLU- 54 10.000% * 1.6419% (0.44 0.22 0.02) = 1.642% kept HG2 LYS+ 110 - HN GLU- 54 10.000% * 0.3280% (0.96 0.02 0.02) = 0.328% HG3 LYS+ 78 - HN GLU- 54 10.000% * 0.2430% (0.71 0.02 0.02) = 0.243% HG LEU 43 - HN GLU- 54 10.000% * 0.1500% (0.44 0.02 0.02) = 0.150% HB ILE 68 - HN GLU- 54 10.000% * 0.1500% (0.44 0.02 0.02) = 0.150% HG12 ILE 101 - HN GLU- 54 10.000% * 0.1376% (0.40 0.02 0.02) = 0.138% HG LEU 23 - HN GLU- 54 10.000% * 0.1141% (0.33 0.02 0.02) = 0.114% Peak 1331 (2.58, 8.88, 126.48 ppm): 4 chemical-shift based assignments, quality = 0.973, support = 4.51, residual support = 16.0: * O HB3 PRO 35 - HN ASP- 36 25.000% * 96.4520% (1.00 10.0 4.62 16.61) = 96.452% kept HB2 PHE 34 - HN ASP- 36 25.000% * 2.3437% (0.31 1.0 1.57 0.02) = 2.344% kept HG2 PRO 112 - HN ASP- 36 25.000% * 1.1647% (0.19 1.0 1.27 1.41) = 1.165% kept HG2 MET 118 - HN ASP- 36 25.000% * 0.0397% (0.41 1.0 0.02 0.02) = 0.040% Peak 1332 (1.38, 8.17, 119.35 ppm): 12 chemical-shift based assignments, quality = 0.398, support = 4.03, residual support = 15.6: HB3 LEU 17 - HN GLN 16 8.333% * 83.1201% (0.34 4.83 18.76) = 83.120% kept QG2 THR 39 - HN GLN 16 8.333% * 10.2106% (0.96 0.21 0.02) = 10.211% kept HB3 LYS+ 20 - HN GLN 16 8.333% * 2.0970% (0.52 0.08 0.02) = 2.097% kept HG13 ILE 68 - HN GLN 16 8.333% * 1.0011% (0.98 0.02 0.02) = 1.001% kept HG2 LYS+ 78 - HN GLN 16 8.333% * 0.8761% (0.85 0.02 0.02) = 0.876% HD3 LYS+ 20 - HN GLN 16 8.333% * 0.6938% (0.68 0.02 0.02) = 0.694% QB ALA 11 - HN GLN 16 8.333% * 0.5718% (0.56 0.02 0.02) = 0.572% HG13 ILE 100 - HN GLN 16 8.333% * 0.3445% (0.34 0.02 0.02) = 0.345% QB ALA 93 - HN GLN 16 8.333% * 0.3445% (0.34 0.02 0.02) = 0.345% HG LEU 67 - HN GLN 16 8.333% * 0.3117% (0.30 0.02 0.02) = 0.312% HG3 LYS+ 81 - HN GLN 16 8.333% * 0.2518% (0.25 0.02 0.02) = 0.252% QB ALA 37 - HN GLN 16 8.333% * 0.1769% (0.17 0.02 0.02) = 0.177% Peak 1333 (0.94, 8.17, 119.35 ppm): 10 chemical-shift based assignments, quality = 0.811, support = 3.07, residual support = 15.5: QD1 LEU 17 - HN GLN 16 10.000% * 82.4662% (0.82 3.63 18.76) = 82.466% kept QG2 ILE 29 - HN GLN 16 10.000% * 13.3156% (0.93 0.52 0.02) = 13.316% kept QG2 VAL 99 - HN GLN 16 10.000% * 1.5307% (0.60 0.09 0.02) = 1.531% kept QG2 VAL 62 - HN GLN 16 10.000% * 0.5421% (0.98 0.02 0.02) = 0.542% QG2 VAL 73 - HN GLN 16 10.000% * 0.5243% (0.95 0.02 0.02) = 0.524% QG1 VAL 105 - HN GLN 16 10.000% * 0.4713% (0.85 0.02 0.02) = 0.471% QG2 VAL 105 - HN GLN 16 10.000% * 0.4350% (0.79 0.02 0.02) = 0.435% HG12 ILE 68 - HN GLN 16 10.000% * 0.2858% (0.52 0.02 0.02) = 0.286% HG3 LYS+ 110 - HN GLN 16 10.000% * 0.2436% (0.44 0.02 0.02) = 0.244% QG2 VAL 80 - HN GLN 16 10.000% * 0.1853% (0.34 0.02 0.02) = 0.185% Peak 1335 (1.17, 7.97, 120.59 ppm): 5 chemical-shift based assignments, quality = 0.878, support = 6.31, residual support = 177.3: * O HB2 LEU 43 - HN LEU 43 20.000% * 98.5758% (0.88 10.0 6.39 179.85) = 98.576% kept HB2 LEU 74 - HN LEU 43 20.000% * 1.1996% (0.67 1.0 0.32 1.31) = 1.200% kept QG2 THR 106 - HN LEU 43 20.000% * 0.0966% (0.87 1.0 0.02 0.02) = 0.097% HG3 PRO 59 - HN LEU 43 20.000% * 0.0910% (0.81 1.0 0.02 0.02) = 0.091% QB ALA 33 - HN LEU 43 20.000% * 0.0370% (0.33 1.0 0.02 0.02) = 0.037% Peak 1336 (0.89, 7.97, 120.59 ppm): 9 chemical-shift based assignments, quality = 0.738, support = 1.12, residual support = 3.1: QG1 VAL 80 - HN LEU 43 11.111% * 23.8874% (0.88 1.10 4.17) = 23.887% kept QD1 LEU 67 - HN LEU 43 11.111% * 23.8326% (0.64 1.50 3.85) = 23.833% kept QG2 VAL 40 - HN LEU 43 11.111% * 22.7190% (0.77 1.20 4.76) = 22.719% kept QG1 VAL 47 - HN LEU 43 11.111% * 17.4218% (0.71 1.00 0.53) = 17.422% kept QG2 VAL 125 - HN LEU 43 11.111% * 8.5955% (0.71 0.49 0.14) = 8.595% kept HG3 LYS+ 117 - HN LEU 43 11.111% * 2.9819% (0.57 0.21 0.02) = 2.982% kept QG2 VAL 87 - HN LEU 43 11.111% * 0.3784% (0.77 0.02 0.02) = 0.378% QG2 ILE 100 - HN LEU 43 11.111% * 0.0971% (0.20 0.02 0.02) = 0.097% QD1 LEU 90 - HN LEU 43 11.111% * 0.0863% (0.17 0.02 0.02) = 0.086% Peak 1337 (0.76, 7.97, 120.59 ppm): 3 chemical-shift based assignments, quality = 0.229, support = 4.35, residual support = 21.8: HG3 LYS+ 44 - HN LEU 43 33.333% * 77.4012% (0.22 5.28 27.76) = 77.401% kept QG2 ILE 48 - HN LEU 43 33.333% * 21.2370% (0.26 1.22 1.60) = 21.237% kept HG3 LYS+ 66 - HN LEU 43 33.333% * 1.3618% (0.22 0.09 0.02) = 1.362% kept Peak 1338 (1.98, 7.79, 116.60 ppm): 15 chemical-shift based assignments, quality = 0.993, support = 3.63, residual support = 20.2: * O HB2 PRO 86 - HN VAL 87 6.667% * 99.3978% (1.00 10.0 3.65 20.31) = 99.398% kept HB3 GLU- 56 - HN VAL 87 6.667% * 0.0940% (0.94 1.0 0.02 0.02) = 0.094% HB2 LYS+ 108 - HN VAL 87 6.667% * 0.0940% (0.94 1.0 0.02 0.02) = 0.094% HG3 PRO 104 - HN VAL 87 6.667% * 0.0862% (0.87 1.0 0.02 0.02) = 0.086% HB VAL 73 - HN VAL 87 6.667% * 0.0796% (0.80 1.0 0.02 0.02) = 0.080% HG2 PRO 112 - HN VAL 87 6.667% * 0.0480% (0.48 1.0 0.02 0.02) = 0.048% HB3 GLU- 109 - HN VAL 87 6.667% * 0.0373% (0.37 1.0 0.02 0.02) = 0.037% HB VAL 13 - HN VAL 87 6.667% * 0.0276% (0.28 1.0 0.02 0.02) = 0.028% HG3 PRO 116 - HN VAL 87 6.667% * 0.0248% (0.25 1.0 0.02 0.02) = 0.025% HB2 HIS+ 14 - HN VAL 87 6.667% * 0.0221% (0.22 1.0 0.02 0.02) = 0.022% HB3 MET 118 - HN VAL 87 6.667% * 0.0221% (0.22 1.0 0.02 0.02) = 0.022% HB2 PRO 35 - HN VAL 87 6.667% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% HG3 PRO 112 - HN VAL 87 6.667% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% HB2 GLU- 18 - HN VAL 87 6.667% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% HB3 GLU- 75 - HN VAL 87 6.667% * 0.0139% (0.14 1.0 0.02 0.02) = 0.014% Peak 1339 (4.78, 7.79, 116.60 ppm): 2 chemical-shift based assignments, quality = 0.867, support = 0.946, residual support = 1.23: HA ASN 15 - HN VAL 87 50.000% * 80.8648% (1.00 0.99 1.41) = 80.865% kept HA LEU 23 - HN VAL 87 50.000% * 19.1352% (0.31 0.76 0.45) = 19.135% kept Peak 1340 (1.77, 7.32, 121.07 ppm): 12 chemical-shift based assignments, quality = 0.945, support = 4.64, residual support = 76.5: * O HB2 ARG+ 84 - HN ARG+ 84 8.333% * 78.8708% (0.94 10.0 4.54 76.79) = 78.871% kept HG2 ARG+ 84 - HN ARG+ 84 8.333% * 20.7007% (0.96 1.0 5.15 76.79) = 20.701% kept HB3 GLU- 18 - HN ARG+ 84 8.333% * 0.0817% (0.98 1.0 0.02 3.02) = 0.082% HG3 ARG+ 53 - HN ARG+ 84 8.333% * 0.0668% (0.80 1.0 0.02 0.02) = 0.067% HG3 LYS+ 63 - HN ARG+ 84 8.333% * 0.0539% (0.65 1.0 0.02 0.02) = 0.054% HD3 PRO 59 - HN ARG+ 84 8.333% * 0.0539% (0.65 1.0 0.02 0.02) = 0.054% HG2 PRO 31 - HN ARG+ 84 8.333% * 0.0506% (0.61 1.0 0.02 0.02) = 0.051% HB2 LEU 17 - HN ARG+ 84 8.333% * 0.0406% (0.49 1.0 0.02 1.73) = 0.041% HB3 LYS+ 108 - HN ARG+ 84 8.333% * 0.0208% (0.25 1.0 0.02 0.02) = 0.021% HB3 LYS+ 63 - HN ARG+ 84 8.333% * 0.0208% (0.25 1.0 0.02 0.02) = 0.021% HB2 LYS+ 117 - HN ARG+ 84 8.333% * 0.0208% (0.25 1.0 0.02 0.02) = 0.021% HB3 LEU 23 - HN ARG+ 84 8.333% * 0.0186% (0.22 1.0 0.02 0.02) = 0.019% Peak 1341 (1.86, 7.32, 121.07 ppm): 11 chemical-shift based assignments, quality = 0.674, support = 4.29, residual support = 75.2: * O HB3 ARG+ 84 - HN ARG+ 84 9.091% * 97.9653% (0.69 10.0 4.37 76.79) = 97.965% kept HG2 PRO 112 - HN ARG+ 84 9.091% * 1.1305% (0.19 1.0 0.83 0.02) = 1.131% kept HD2 PRO 59 - HN ARG+ 84 9.091% * 0.1426% (1.00 1.0 0.02 0.02) = 0.143% HB VAL 94 - HN ARG+ 84 9.091% * 0.1423% (1.00 1.0 0.02 0.02) = 0.142% HB2 PRO 104 - HN ARG+ 84 9.091% * 0.1279% (0.90 1.0 0.02 0.02) = 0.128% HB3 LYS+ 72 - HN ARG+ 84 9.091% * 0.1237% (0.87 1.0 0.02 0.02) = 0.124% HB3 LYS+ 60 - HN ARG+ 84 9.091% * 0.1191% (0.83 1.0 0.02 0.02) = 0.119% HD3 PRO 52 - HN ARG+ 84 9.091% * 0.0923% (0.65 1.0 0.02 0.02) = 0.092% HB2 LYS+ 66 - HN ARG+ 84 9.091% * 0.0694% (0.49 1.0 0.02 0.02) = 0.069% HG3 LYS+ 120 - HN ARG+ 84 9.091% * 0.0586% (0.41 1.0 0.02 0.02) = 0.059% HB2 PRO 59 - HN ARG+ 84 9.091% * 0.0282% (0.20 1.0 0.02 0.02) = 0.028% Peak 1342 (1.77, 7.32, 121.07 ppm): 12 chemical-shift based assignments, quality = 0.987, support = 4.64, residual support = 76.5: O HB2 ARG+ 84 - HN ARG+ 84 8.333% * 79.0930% (0.99 10.0 4.54 76.79) = 79.093% kept * HG2 ARG+ 84 - HN ARG+ 84 8.333% * 20.4841% (1.00 1.0 5.15 76.79) = 20.484% kept HB3 GLU- 18 - HN ARG+ 84 8.333% * 0.0798% (1.00 1.0 0.02 3.02) = 0.080% HG3 ARG+ 53 - HN ARG+ 84 8.333% * 0.0716% (0.90 1.0 0.02 0.02) = 0.072% HG3 LYS+ 63 - HN ARG+ 84 8.333% * 0.0610% (0.76 1.0 0.02 0.02) = 0.061% HG2 PRO 31 - HN ARG+ 84 8.333% * 0.0579% (0.73 1.0 0.02 0.02) = 0.058% HD3 PRO 59 - HN ARG+ 84 8.333% * 0.0420% (0.53 1.0 0.02 0.02) = 0.042% HB2 LEU 17 - HN ARG+ 84 8.333% * 0.0299% (0.37 1.0 0.02 1.73) = 0.030% HB3 LYS+ 108 - HN ARG+ 84 8.333% * 0.0272% (0.34 1.0 0.02 0.02) = 0.027% HB3 LYS+ 63 - HN ARG+ 84 8.333% * 0.0272% (0.34 1.0 0.02 0.02) = 0.027% HB2 LYS+ 117 - HN ARG+ 84 8.333% * 0.0140% (0.17 1.0 0.02 0.02) = 0.014% HB3 LEU 23 - HN ARG+ 84 8.333% * 0.0123% (0.15 1.0 0.02 0.02) = 0.012% Peak 1343 (0.67, 8.76, 119.28 ppm): 8 chemical-shift based assignments, quality = 0.65, support = 3.12, residual support = 33.0: * QD1 ILE 19 - HN PHE 34 12.500% * 36.9099% (0.49 5.31 54.24) = 36.910% kept QG2 ILE 48 - HN PHE 34 12.500% * 24.9673% (0.97 1.80 2.63) = 24.967% kept HG12 ILE 19 - HN PHE 34 12.500% * 22.6317% (0.61 2.61 54.24) = 22.632% kept QG2 ILE 101 - HN PHE 34 12.500% * 7.1236% (0.48 1.04 0.49) = 7.124% kept QG2 ILE 68 - HN PHE 34 12.500% * 5.5453% (0.57 0.69 0.84) = 5.545% kept QG1 VAL 62 - HN PHE 34 12.500% * 2.6219% (0.99 0.19 0.02) = 2.622% kept QG2 VAL 94 - HN PHE 34 12.500% * 0.1617% (0.57 0.02 0.02) = 0.162% QG1 VAL 65 - HN PHE 34 12.500% * 0.0387% (0.14 0.02 0.02) = 0.039% Peak 1345 (0.67, 8.60, 125.48 ppm): 7 chemical-shift based assignments, quality = 0.487, support = 4.72, residual support = 33.4: HG12 ILE 19 - HN LYS+ 20 14.286% * 38.8199% (0.49 5.55 45.44) = 38.820% kept * QD1 ILE 19 - HN LYS+ 20 14.286% * 33.0249% (0.37 6.12 45.44) = 33.025% kept QG2 VAL 94 - HN LYS+ 20 14.286% * 17.3850% (0.45 2.70 4.01) = 17.385% kept QG1 VAL 62 - HN LYS+ 20 14.286% * 10.2489% (0.94 0.75 0.76) = 10.249% kept QG2 ILE 48 - HN LYS+ 20 14.286% * 0.2742% (0.95 0.02 0.02) = 0.274% QG2 ILE 68 - HN LYS+ 20 14.286% * 0.1289% (0.45 0.02 0.02) = 0.129% QG2 ILE 101 - HN LYS+ 20 14.286% * 0.1182% (0.41 0.02 0.02) = 0.118% Peak 1346 (1.75, 8.82, 121.40 ppm): 8 chemical-shift based assignments, quality = 0.798, support = 0.775, residual support = 0.723: HB2 LEU 17 - HN LYS+ 32 12.500% * 44.0171% (0.99 0.95 0.59) = 44.017% kept HB ILE 48 - HN LYS+ 32 12.500% * 22.6400% (0.80 0.60 0.12) = 22.640% kept * HB3 GLU- 18 - HN LYS+ 32 12.500% * 15.7193% (0.31 1.09 2.77) = 15.719% kept HD3 PRO 59 - HN LYS+ 32 12.500% * 14.3618% (0.92 0.33 0.02) = 14.362% kept HG2 ARG+ 84 - HN LYS+ 32 12.500% * 1.2794% (0.28 0.10 0.02) = 1.279% kept HB2 LYS+ 117 - HN LYS+ 32 12.500% * 0.8852% (0.94 0.02 0.02) = 0.885% HB3 LEU 23 - HN LYS+ 32 12.500% * 0.8639% (0.92 0.02 0.02) = 0.864% HB2 ARG+ 84 - HN LYS+ 32 12.500% * 0.2333% (0.25 0.02 0.02) = 0.233% Peak 1347 (0.40, 8.74, 120.07 ppm): 2 chemical-shift based assignments, quality = 0.779, support = 3.11, residual support = 9.49: * QD1 ILE 48 - HN VAL 62 50.000% * 65.4043% (0.78 3.72 9.49) = 65.404% kept HG12 ILE 48 - HN VAL 62 50.000% * 34.5957% (0.78 1.97 9.49) = 34.596% kept Peak 1348 (4.78, 8.42, 120.11 ppm): 2 chemical-shift based assignments, quality = 0.461, support = 0.02, residual support = 0.02: HA ASN 15 - HN LYS+ 117 50.000% * 72.5341% (0.56 0.02 0.02) = 72.534% kept HA LEU 23 - HN LYS+ 117 50.000% * 27.4659% (0.21 0.02 0.02) = 27.466% kept Reference assignment not found: HA ASN 15 - HN ASN 15 Not enough support, support cutoff is 0.28 Peak unassigned. Peaks: selected : 1169 with diagonal assignment : 122 without assignment possibility : 199 with one assignment possibility : 51 with multiple assignment possibilities : 797 with given assignment possibilities : 0 with unique volume contribution : 166 with multiple volume contributions : 682 eliminated by violation filter : 0 Peaks: selected : 1169 without assignment : 272 with assignment : 897 with unique assignment : 256 with multiple assignment : 641 with reference assignment : 783 with identical reference assignment : 239 with compatible reference assignment : 481 with incompatible reference assignment : 42 with additional reference assignment : 21 with additional assignment : 135 Atoms with eliminated volume contribution > 2.5: HN ALA 11 3.9 HA ASN 15 5.0 HD22 ASN 15 4.0 HA ILE 19 3.0 HN GLU- 75 4.7 HN LYS+ 108 3.0 HN LYS+ 113 3.0 HN LYS+ 117 5.0 HB2 ASN 119 2.9