- 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 = 0.0797, support = 3.86, residual support = 53.5: HN ILE 29 - QD1 LEU 23 50.000% * 63.0559% (0.11 2.86 14.94) = 63.056% kept HN LEU 23 - QD1 LEU 23 50.000% * 36.9441% (0.03 5.56 119.42) = 36.944% kept Peak 3 (9.05, 1.10, 22.32 ppm): 4 chemical-shift based assignments, quality = 0.305, support = 3.52, residual support = 16.3: HN THR 79 - QG2 THR 79 25.000% * 88.8281% (0.32 3.92 18.35) = 88.828% kept HN GLY 30 - QG2 THR 79 25.000% * 5.8069% (0.27 0.30 0.14) = 5.807% kept HN LYS+ 66 - QG2 THR 79 25.000% * 5.0158% (0.18 0.39 0.02) = 5.016% kept HN GLU- 54 - QG2 THR 79 25.000% * 0.3492% (0.24 0.02 0.02) = 0.349% Peak 4 (8.81, -0.03, 22.36 ppm): 4 chemical-shift based assignments, quality = 0.76, support = 1.67, residual support = 6.1: HN LYS+ 32 - QD1 LEU 74 25.000% * 33.2672% (0.94 1.26 1.05) = 33.267% kept HN LYS+ 60 - QD1 LEU 74 25.000% * 28.7692% (0.76 1.35 0.29) = 28.769% kept HN ASN 57 - QD1 LEU 74 25.000% * 20.4565% (0.99 0.74 0.38) = 20.457% kept HN SER 69 - QD1 LEU 74 25.000% * 17.5070% (0.15 4.06 31.90) = 17.507% kept Peak 5 (8.60, 1.38, 22.40 ppm): 4 chemical-shift based assignments, quality = 0.65, support = 2.03, residual support = 2.13: HN VAL 80 - QG2 THR 39 25.000% * 39.4948% (0.52 3.07 1.02) = 39.495% kept HN LYS+ 20 - QG2 THR 39 25.000% * 27.5939% (0.99 1.13 1.82) = 27.594% kept HN THR 39 - QG2 THR 39 25.000% * 24.6046% (0.56 1.77 4.91) = 24.605% kept HN VAL 73 - QG2 THR 39 25.000% * 8.3067% (0.37 0.90 0.19) = 8.307% kept Peak 6 (8.47, -0.03, 22.34 ppm): 5 chemical-shift based assignments, quality = 0.669, support = 4.02, residual support = 72.3: HN LEU 74 - QD1 LEU 74 20.000% * 66.9350% (0.53 5.66 107.93) = 66.935% kept HN GLU- 107 - QD1 LEU 74 20.000% * 15.9520% (0.98 0.72 0.36) = 15.952% kept HN GLY 92 - QD1 LEU 74 20.000% * 15.4402% (0.98 0.70 0.24) = 15.440% kept HN GLU- 18 - QD1 LEU 74 20.000% * 1.4881% (0.61 0.11 0.02) = 1.488% kept HN GLU- 10 - QD1 LEU 74 20.000% * 0.1847% (0.41 0.02 0.02) = 0.185% Peak 7 (7.34, 4.28, 63.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 8 (7.33, 0.11, 22.44 ppm): 6 chemical-shift based assignments, quality = 0.815, support = 2.76, residual support = 27.5: HN VAL 47 - QG2 VAL 47 16.667% * 34.6933% (0.67 4.61 74.16) = 34.693% kept QE PHE 34 - QG2 VAL 47 16.667% * 23.0966% (0.97 2.11 2.89) = 23.097% kept QD PHE 34 - QG2 VAL 47 16.667% * 19.1160% (0.75 2.28 2.89) = 19.116% kept HZ PHE 34 - QG2 VAL 47 16.667% * 14.5278% (0.97 1.33 2.89) = 14.528% kept HZ2 TRP 51 - QG2 VAL 47 16.667% * 5.3417% (0.97 0.49 2.08) = 5.342% kept HN ARG+ 84 - QG2 VAL 47 16.667% * 3.2247% (0.63 0.46 0.02) = 3.225% kept Peak 9 (7.21, 0.58, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.216, support = 3.61, residual support = 33.2: HH2 TRP 51 - QD1 LEU 23 50.000% * 62.6765% (0.21 4.36 33.19) = 62.677% kept HN TRP 51 - QD1 LEU 23 50.000% * 37.3235% (0.23 2.34 33.19) = 37.323% kept Peak 10 (7.07, -0.03, 22.30 ppm): 2 chemical-shift based assignments, quality = 0.781, support = 2.32, residual support = 16.9: T QD TYR 83 - QD1 LEU 74 50.000% * 99.9689% (0.78 10.00 2.32 16.86) = 99.969% kept QE PHE 21 - QD1 LEU 74 50.000% * 0.0311% (0.24 1.00 0.02 0.12) = 0.031% Peak 11 (7.02, 0.11, 22.43 ppm): 1 chemical-shift based assignment, quality = 0.515, support = 1.97, residual support = 10.3: T QE PHE 21 - QG2 VAL 47 100.000% *100.0000% (0.52 10.00 1.97 10.30) = 100.000% kept Peak 12 (6.90, 0.11, 22.43 ppm): 2 chemical-shift based assignments, quality = 0.696, support = 1.76, residual support = 7.43: QD PHE 21 - QG2 VAL 47 50.000% * 71.1205% (0.59 2.24 10.30) = 71.121% kept HD22 ASN 15 - QG2 VAL 47 50.000% * 28.8795% (0.95 0.57 0.36) = 28.879% kept Peak 13 (6.73, 0.58, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.18, support = 2.95, residual support = 24.3: HZ3 TRP 51 - QD1 LEU 23 50.000% * 72.6012% (0.16 3.69 33.19) = 72.601% kept QE TYR 83 - QD1 LEU 23 50.000% * 27.3988% (0.23 0.98 0.90) = 27.399% kept Peak 14 (4.84, 4.05, 63.83 ppm): 2 chemical-shift based assignments, quality = 0.523, support = 1.49, residual support = 2.67: HA THR 96 - HB3 SER 85 50.000% * 67.6204% (0.62 1.54 2.81) = 67.620% kept HB THR 39 - HB3 SER 85 50.000% * 32.3796% (0.33 1.39 2.37) = 32.380% kept Peak 15 (4.83, 3.86, 63.83 ppm): 12 chemical-shift based assignments, quality = 0.448, support = 1.35, residual support = 2.3: HB THR 39 - HB2 SER 85 8.333% * 46.0770% (0.56 1.32 2.37) = 46.077% kept HA THR 96 - HB2 SER 85 8.333% * 42.4952% (0.41 1.67 2.81) = 42.495% kept HA LEU 23 - HB2 SER 85 8.333% * 4.3172% (0.17 0.40 0.02) = 4.317% kept HA LEU 23 - HB3 SER 27 8.333% * 4.2865% (0.17 0.41 0.21) = 4.286% kept HB THR 39 - HB3 SER 88 8.333% * 1.0030% (0.11 0.14 0.02) = 1.003% kept HB THR 39 - HB3 SER 27 8.333% * 0.6836% (0.55 0.02 0.02) = 0.684% HA THR 96 - HB3 SER 27 8.333% * 0.4964% (0.40 0.02 0.02) = 0.496% HA LEU 23 - HB3 SER 88 8.333% * 0.2466% (0.04 0.11 0.02) = 0.247% HB THR 39 - HB3 SER 77 8.333% * 0.1432% (0.11 0.02 0.02) = 0.143% HA THR 96 - HB3 SER 77 8.333% * 0.1040% (0.08 0.02 0.02) = 0.104% HA THR 96 - HB3 SER 88 8.333% * 0.1030% (0.08 0.02 0.02) = 0.103% HA LEU 23 - HB3 SER 77 8.333% * 0.0443% (0.04 0.02 0.02) = 0.044% Peak 16 (4.79, 1.38, 22.41 ppm): 3 chemical-shift based assignments, quality = 0.16, support = 0.982, residual support = 4.82: O HB THR 39 - QG2 THR 39 33.333% * 98.1561% (0.15 10.0 1.00 4.91) = 98.156% kept HA ASN 15 - QG2 THR 39 33.333% * 1.1745% (0.91 1.0 0.02 0.02) = 1.174% kept HA LEU 23 - QG2 THR 39 33.333% * 0.6694% (0.52 1.0 0.02 0.02) = 0.669% Peak 17 (4.80, 0.58, 22.43 ppm): 3 chemical-shift based assignments, quality = 0.183, support = 5.14, residual support = 116.7: HA LEU 23 - QD1 LEU 23 33.333% * 97.6786% (0.19 5.26 119.42) = 97.679% kept HA ASN 15 - QD1 LEU 23 33.333% * 1.4854% (0.13 0.11 0.02) = 1.485% kept HB THR 39 - QD1 LEU 23 33.333% * 0.8359% (0.09 0.09 0.02) = 0.836% Peak 19 (4.52, 1.38, 22.37 ppm): 10 chemical-shift based assignments, quality = 0.333, support = 2.26, residual support = 13.5: HB THR 79 - QG2 THR 39 10.000% * 79.6978% (0.37 2.50 13.85) = 79.698% kept HB THR 79 - HG2 LYS+ 78 10.000% * 11.2199% (0.06 2.12 20.61) = 11.220% kept HA SER 77 - QG2 THR 39 10.000% * 3.2546% (0.13 0.28 0.02) = 3.255% kept HA SER 77 - HG2 LYS+ 78 10.000% * 2.0083% (0.02 1.05 9.60) = 2.008% kept HB THR 46 - QG2 THR 39 10.000% * 1.5696% (0.92 0.02 0.02) = 1.570% kept HA ALA 103 - QG2 THR 39 10.000% * 1.2347% (0.72 0.02 0.02) = 1.235% kept HA LEU 17 - QG2 THR 39 10.000% * 0.4727% (0.28 0.02 0.02) = 0.473% HB THR 46 - HG2 LYS+ 78 10.000% * 0.2598% (0.15 0.02 0.02) = 0.260% HA ALA 103 - HG2 LYS+ 78 10.000% * 0.2043% (0.12 0.02 0.02) = 0.204% HA LEU 17 - HG2 LYS+ 78 10.000% * 0.0782% (0.05 0.02 0.02) = 0.078% Peak 20 (4.44, 1.54, 22.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 21 (4.38, 3.90, 63.86 ppm): 55 chemical-shift based assignments, quality = 0.34, support = 1.85, residual support = 5.1: O T HA SER 27 - HB3 SER 27 1.818% * 78.8387% (0.40 10.0 10.00 2.00 4.59) = 78.839% kept O T HA SER 88 - HB3 SER 88 1.818% * 8.7877% (0.04 10.0 10.00 1.74 12.89) = 8.788% kept HA2 GLY 26 - HB3 SER 27 1.818% * 5.6335% (0.27 1.0 1.00 2.08 6.20) = 5.634% kept T HA SER 88 - HB2 SER 85 1.818% * 3.6791% (0.19 1.0 10.00 0.20 0.02) = 3.679% kept T HA SER 88 - HB3 SER 27 1.818% * 0.6327% (0.32 1.0 10.00 0.02 0.02) = 0.633% T HA SER 27 - HB3 SER 77 1.818% * 0.5115% (0.07 1.0 10.00 0.08 0.02) = 0.512% T HA SER 27 - HB2 SER 85 1.818% * 0.4645% (0.23 1.0 10.00 0.02 0.02) = 0.465% T HA SER 27 - HB3 SER 88 1.818% * 0.1095% (0.06 1.0 10.00 0.02 0.02) = 0.110% T HA SER 88 - HB3 SER 77 1.818% * 0.1042% (0.05 1.0 10.00 0.02 0.02) = 0.104% HA ALA 37 - HB3 SER 27 1.818% * 0.0790% (0.40 1.0 1.00 0.02 0.02) = 0.079% HA LYS+ 60 - HB3 SER 27 1.818% * 0.0774% (0.39 1.0 1.00 0.02 0.02) = 0.077% HA TRP 51 - HB3 SER 27 1.818% * 0.0763% (0.39 1.0 1.00 0.02 0.02) = 0.076% HA ALA 91 - HB3 SER 27 1.818% * 0.0709% (0.36 1.0 1.00 0.02 0.02) = 0.071% HB THR 61 - HB3 SER 27 1.818% * 0.0633% (0.32 1.0 1.00 0.02 0.02) = 0.063% HA ALA 37 - HB2 SER 85 1.818% * 0.0466% (0.24 1.0 1.00 0.02 0.02) = 0.047% HA LYS+ 60 - HB2 SER 85 1.818% * 0.0456% (0.23 1.0 1.00 0.02 0.02) = 0.046% HA TRP 51 - HB2 SER 85 1.818% * 0.0449% (0.23 1.0 1.00 0.02 0.02) = 0.045% HA ALA 91 - HB2 SER 85 1.818% * 0.0418% (0.21 1.0 1.00 0.02 0.02) = 0.042% HA ALA 37 - HB2 SER 77 1.818% * 0.0411% (0.21 1.0 1.00 0.02 0.02) = 0.041% HA SER 27 - HB2 SER 77 1.818% * 0.0410% (0.21 1.0 1.00 0.02 0.02) = 0.041% HA LYS+ 60 - HB2 SER 77 1.818% * 0.0403% (0.20 1.0 1.00 0.02 0.02) = 0.040% HA TRP 51 - HB2 SER 77 1.818% * 0.0396% (0.20 1.0 1.00 0.02 0.02) = 0.040% HB THR 61 - HB2 SER 85 1.818% * 0.0373% (0.19 1.0 1.00 0.02 0.02) = 0.037% HA ALA 91 - HB2 SER 77 1.818% * 0.0368% (0.19 1.0 1.00 0.02 0.02) = 0.037% HA SER 88 - HB2 SER 77 1.818% * 0.0329% (0.17 1.0 1.00 0.02 0.02) = 0.033% HB THR 61 - HB2 SER 77 1.818% * 0.0329% (0.17 1.0 1.00 0.02 0.02) = 0.033% HA ASN 57 - HB3 SER 27 1.818% * 0.0325% (0.16 1.0 1.00 0.02 0.02) = 0.032% HA2 GLY 26 - HB2 SER 85 1.818% * 0.0320% (0.16 1.0 1.00 0.02 0.02) = 0.032% HA THR 95 - HB3 SER 27 1.818% * 0.0297% (0.15 1.0 1.00 0.02 0.02) = 0.030% HA2 GLY 26 - HB2 SER 77 1.818% * 0.0282% (0.14 1.0 1.00 0.02 0.02) = 0.028% HA PRO 104 - HB3 SER 27 1.818% * 0.0220% (0.11 1.0 1.00 0.02 0.17) = 0.022% HA ASN 57 - HB2 SER 85 1.818% * 0.0191% (0.10 1.0 1.00 0.02 0.02) = 0.019% HA THR 95 - HB2 SER 85 1.818% * 0.0175% (0.09 1.0 1.00 0.02 0.02) = 0.017% HA ASN 57 - HB2 SER 77 1.818% * 0.0169% (0.09 1.0 1.00 0.02 0.02) = 0.017% HA THR 95 - HB2 SER 77 1.818% * 0.0154% (0.08 1.0 1.00 0.02 0.02) = 0.015% HA ALA 37 - HB3 SER 77 1.818% * 0.0130% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA PRO 104 - HB2 SER 85 1.818% * 0.0129% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA LYS+ 60 - HB3 SER 77 1.818% * 0.0128% (0.06 1.0 1.00 0.02 0.02) = 0.013% HA TRP 51 - HB3 SER 77 1.818% * 0.0126% (0.06 1.0 1.00 0.02 0.02) = 0.013% HA ALA 91 - HB3 SER 77 1.818% * 0.0117% (0.06 1.0 1.00 0.02 0.02) = 0.012% HA PRO 104 - HB2 SER 77 1.818% * 0.0114% (0.06 1.0 1.00 0.02 0.02) = 0.011% HA ALA 37 - HB3 SER 88 1.818% * 0.0110% (0.06 1.0 1.00 0.02 0.02) = 0.011% HA LYS+ 60 - HB3 SER 88 1.818% * 0.0108% (0.05 1.0 1.00 0.02 0.02) = 0.011% HA TRP 51 - HB3 SER 88 1.818% * 0.0106% (0.05 1.0 1.00 0.02 0.02) = 0.011% HB THR 61 - HB3 SER 77 1.818% * 0.0104% (0.05 1.0 1.00 0.02 0.02) = 0.010% HA ALA 91 - HB3 SER 88 1.818% * 0.0098% (0.05 1.0 1.00 0.02 0.02) = 0.010% HA2 GLY 26 - HB3 SER 77 1.818% * 0.0089% (0.05 1.0 1.00 0.02 0.02) = 0.009% HB THR 61 - HB3 SER 88 1.818% * 0.0088% (0.04 1.0 1.00 0.02 0.02) = 0.009% HA2 GLY 26 - HB3 SER 88 1.818% * 0.0075% (0.04 1.0 1.00 0.02 0.02) = 0.008% HA ASN 57 - HB3 SER 77 1.818% * 0.0053% (0.03 1.0 1.00 0.02 0.02) = 0.005% HA THR 95 - HB3 SER 77 1.818% * 0.0049% (0.02 1.0 1.00 0.02 0.02) = 0.005% HA ASN 57 - HB3 SER 88 1.818% * 0.0045% (0.02 1.0 1.00 0.02 0.02) = 0.005% HA THR 95 - HB3 SER 88 1.818% * 0.0041% (0.02 1.0 1.00 0.02 0.02) = 0.004% HA PRO 104 - HB3 SER 77 1.818% * 0.0036% (0.02 1.0 1.00 0.02 0.02) = 0.004% HA PRO 104 - HB3 SER 88 1.818% * 0.0031% (0.02 1.0 1.00 0.02 0.02) = 0.003% Peak 27 (4.10, 1.54, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 28 (4.05, 4.06, 63.78 ppm): 3 diagonal assignments: 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 = 0.711, support = 1.5, residual support = 11.7: HA THR 38 - QG2 THR 39 10.000% * 82.9481% (0.76 1.75 14.00) = 82.948% kept HB THR 95 - QG2 THR 39 10.000% * 9.7528% (0.56 0.28 0.02) = 9.753% kept HB3 SER 85 - QG2 THR 39 10.000% * 5.3016% (0.22 0.38 2.37) = 5.302% kept HA VAL 13 - QG2 THR 39 10.000% * 1.2395% (0.99 0.02 0.02) = 1.239% kept HA VAL 13 - HG2 LYS+ 78 10.000% * 0.2077% (0.17 0.02 0.02) = 0.208% HB3 SER 49 - QG2 THR 39 10.000% * 0.1944% (0.16 0.02 0.02) = 0.194% HA THR 38 - HG2 LYS+ 78 10.000% * 0.1591% (0.13 0.02 0.02) = 0.159% HB THR 95 - HG2 LYS+ 78 10.000% * 0.1179% (0.09 0.02 0.02) = 0.118% HB3 SER 85 - HG2 LYS+ 78 10.000% * 0.0463% (0.04 0.02 0.02) = 0.046% HB3 SER 49 - HG2 LYS+ 78 10.000% * 0.0326% (0.03 0.02 0.02) = 0.033% Peak 30 (3.95, -0.03, 22.35 ppm): 2 chemical-shift based assignments, quality = 0.977, support = 4.57, residual support = 105.7: HA LEU 74 - QD1 LEU 74 50.000% * 97.9586% (0.99 4.66 107.93) = 97.959% kept HB THR 96 - QD1 LEU 74 50.000% * 2.0414% (0.37 0.26 0.02) = 2.041% kept Peak 33 (3.88, 4.05, 63.82 ppm): 8 chemical-shift based assignments, quality = 0.465, support = 1.25, residual support = 5.03: O HB2 SER 85 - HB3 SER 85 12.500% * 69.5195% (0.31 10.0 1.00 1.18 6.71) = 69.519% kept HD2 PRO 86 - HB3 SER 85 12.500% * 27.2554% (0.90 1.0 1.00 1.57 1.32) = 27.255% kept T HB3 SER 77 - HB3 SER 85 12.500% * 1.3005% (0.34 1.0 10.00 0.02 0.02) = 1.300% kept T HB3 SER 88 - HB3 SER 85 12.500% * 1.0695% (0.28 1.0 10.00 0.02 0.02) = 1.069% kept HD3 PRO 35 - HB3 SER 85 12.500% * 0.3344% (0.87 1.0 1.00 0.02 0.02) = 0.334% HA GLU- 45 - HB3 SER 85 12.500% * 0.2242% (0.58 1.0 1.00 0.02 0.02) = 0.224% HB3 SER 27 - HB3 SER 85 12.500% * 0.2102% (0.54 1.0 1.00 0.02 0.02) = 0.210% HB2 SER 77 - HB3 SER 85 12.500% * 0.0864% (0.22 1.0 1.00 0.02 0.02) = 0.086% 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): 10 chemical-shift based assignments, quality = 0.486, support = 0.0198, residual support = 0.0561: HD2 PRO 104 - HB3 SER 27 10.000% * 23.8667% (0.70 0.02 0.17) = 23.867% kept HD2 PRO 104 - HB2 SER 85 10.000% * 21.0781% (0.62 0.02 0.02) = 21.078% kept HD2 PRO 31 - HB3 SER 27 10.000% * 17.2923% (0.51 0.02 0.02) = 17.292% kept HD2 PRO 31 - HB2 SER 85 10.000% * 15.2719% (0.45 0.02 0.02) = 15.272% kept HD2 PRO 104 - HB3 SER 77 10.000% * 6.0080% (0.18 0.02 0.02) = 6.008% kept HD2 PRO 104 - HB3 SER 88 10.000% * 5.6864% (0.17 0.02 0.02) = 5.686% kept HD2 PRO 31 - HB3 SER 77 10.000% * 4.3530% (0.13 0.02 0.02) = 4.353% kept HD2 PRO 31 - HB3 SER 88 10.000% * 4.1200% (0.12 0.02 0.02) = 4.120% kept HD2 PRO 104 - HB2 SER 77 10.000% * 1.3473% (0.04 0.02 0.02) = 1.347% kept HD2 PRO 31 - HB2 SER 77 10.000% * 0.9762% (0.03 0.02 0.02) = 0.976% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 39 (3.52, 0.11, 22.43 ppm): 3 chemical-shift based assignments, quality = 0.9, support = 1.03, residual support = 2.88: HA LYS+ 44 - QG2 VAL 47 33.333% * 98.1111% (0.90 1.05 2.93) = 98.111% kept HA1 GLY 26 - QG2 VAL 47 33.333% * 1.6158% (0.78 0.02 0.02) = 1.616% kept HB2 SER 69 - QG2 VAL 47 33.333% * 0.2731% (0.13 0.02 0.02) = 0.273% Peak 40 (3.53, -0.03, 22.30 ppm): 3 chemical-shift based assignments, quality = 0.41, support = 3.2, residual support = 31.5: T HB2 SER 69 - QD1 LEU 74 33.333% * 98.6310% (0.40 10.00 3.24 31.90) = 98.631% kept HA LYS+ 44 - QD1 LEU 74 33.333% * 1.1291% (0.95 1.00 0.10 0.02) = 1.129% kept HA1 GLY 26 - QD1 LEU 74 33.333% * 0.2399% (0.98 1.00 0.02 0.02) = 0.240% Peak 41 (3.08, 0.11, 22.44 ppm): 4 chemical-shift based assignments, quality = 0.846, support = 3.21, residual support = 74.0: O T HA VAL 47 - QG2 VAL 47 25.000% * 99.7747% (0.85 10.0 10.00 3.22 74.16) = 99.775% kept HA1 GLY 58 - QG2 VAL 47 25.000% * 0.1755% (0.32 1.0 1.00 0.09 0.02) = 0.176% HB3 ASP- 25 - QG2 VAL 47 25.000% * 0.0320% (0.27 1.0 1.00 0.02 0.02) = 0.032% HB3 TRP 51 - QG2 VAL 47 25.000% * 0.0177% (0.15 1.0 1.00 0.02 2.08) = 0.018% Peak 43 (2.26, 0.95, 22.31 ppm): 26 chemical-shift based assignments, quality = 0.725, support = 0.172, residual support = 0.0775: T HB3 PRO 35 - QG2 VAL 73 3.846% * 38.1028% (0.82 10.00 0.20 0.14) = 38.103% kept T HB3 PRO 35 - QG2 VAL 62 3.846% * 28.1722% (0.79 10.00 0.15 0.02) = 28.172% kept T HB VAL 80 - QG2 VAL 73 3.846% * 14.5464% (0.75 10.00 0.08 0.02) = 14.546% kept HG3 GLU- 75 - QG2 VAL 73 3.846% * 6.1972% (0.70 1.00 0.38 0.02) = 6.197% kept T HB VAL 80 - QG2 VAL 62 3.846% * 3.4308% (0.73 10.00 0.02 0.02) = 3.431% kept HB2 LYS+ 44 - QG2 VAL 73 3.846% * 2.2731% (0.22 1.00 0.45 0.02) = 2.273% kept HB2 LYS+ 44 - QG2 VAL 62 3.846% * 1.7450% (0.21 1.00 0.35 0.77) = 1.745% kept HA1 GLY 58 - QG2 VAL 62 3.846% * 1.2452% (0.38 1.00 0.14 0.02) = 1.245% kept HG3 GLU- 54 - QG2 VAL 73 3.846% * 0.4082% (0.87 1.00 0.02 0.02) = 0.408% HG3 GLU- 107 - QG2 VAL 73 3.846% * 0.4010% (0.85 1.00 0.02 0.02) = 0.401% HG3 GLU- 54 - QG2 VAL 62 3.846% * 0.3946% (0.84 1.00 0.02 0.02) = 0.395% HG3 GLU- 107 - QG2 VAL 62 3.846% * 0.3877% (0.82 1.00 0.02 0.02) = 0.388% HG3 GLU- 75 - QG2 VAL 62 3.846% * 0.3167% (0.67 1.00 0.02 0.12) = 0.317% HB3 ASN 15 - QG2 VAL 73 3.846% * 0.2481% (0.53 1.00 0.02 0.02) = 0.248% HB3 ASN 15 - QG2 VAL 62 3.846% * 0.2399% (0.51 1.00 0.02 0.02) = 0.240% HG2 GLU- 64 - QG2 VAL 73 3.846% * 0.2232% (0.47 1.00 0.02 0.02) = 0.223% HG2 GLU- 64 - QG2 VAL 62 3.846% * 0.2158% (0.46 1.00 0.02 3.30) = 0.216% HG2 GLU- 56 - QG2 VAL 73 3.846% * 0.1991% (0.42 1.00 0.02 0.02) = 0.199% HG2 GLU- 56 - QG2 VAL 62 3.846% * 0.1925% (0.41 1.00 0.02 0.02) = 0.193% HA1 GLY 58 - QG2 VAL 73 3.846% * 0.1854% (0.39 1.00 0.02 0.02) = 0.185% HG3 GLU- 10 - QG2 VAL 73 3.846% * 0.1834% (0.39 1.00 0.02 0.02) = 0.183% HG3 GLU- 10 - QG2 VAL 62 3.846% * 0.1773% (0.38 1.00 0.02 0.02) = 0.177% HG3 GLU- 56 - QG2 VAL 73 3.846% * 0.1535% (0.33 1.00 0.02 0.02) = 0.154% HG3 GLU- 56 - QG2 VAL 62 3.846% * 0.1484% (0.32 1.00 0.02 0.02) = 0.148% HG3 GLU- 64 - QG2 VAL 73 3.846% * 0.1079% (0.23 1.00 0.02 0.02) = 0.108% HG3 GLU- 64 - QG2 VAL 62 3.846% * 0.1044% (0.22 1.00 0.02 3.30) = 0.104% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 44 (2.19, 0.58, 22.45 ppm): 13 chemical-shift based assignments, quality = 0.222, support = 2.17, residual support = 7.02: T HB VAL 99 - QD1 LEU 23 7.692% * 52.8653% (0.25 10.00 3.27 12.21) = 52.865% kept T HG2 GLN 102 - QD1 LEU 23 7.692% * 23.0522% (0.20 10.00 1.07 0.92) = 23.052% kept T HG2 GLN 16 - QD1 LEU 23 7.692% * 11.6507% (0.24 10.00 0.46 0.92) = 11.651% kept HB2 ASP- 82 - QD1 LEU 23 7.692% * 4.9800% (0.21 1.00 2.21 3.07) = 4.980% kept T HG3 GLN 16 - QD1 LEU 23 7.692% * 4.5147% (0.10 10.00 0.41 0.92) = 4.515% kept HA1 GLY 58 - QD1 LEU 23 7.692% * 1.0848% (0.08 1.00 1.25 4.84) = 1.085% kept HG3 GLU- 64 - QD1 LEU 23 7.692% * 0.5688% (0.22 1.00 0.24 0.02) = 0.569% HB3 PRO 104 - QD1 LEU 23 7.692% * 0.4076% (0.24 1.00 0.16 0.02) = 0.408% HB3 PRO 35 - QD1 LEU 23 7.692% * 0.3640% (0.17 1.00 0.20 0.02) = 0.364% HB3 GLU- 75 - QD1 LEU 23 7.692% * 0.2409% (0.07 1.00 0.31 1.32) = 0.241% HG2 PRO 104 - QD1 LEU 23 7.692% * 0.1441% (0.09 1.00 0.16 0.02) = 0.144% T HG3 MET 97 - QD1 LEU 23 7.692% * 0.0730% (0.03 10.00 0.02 0.02) = 0.073% HG2 GLU- 64 - QD1 LEU 23 7.692% * 0.0539% (0.25 1.00 0.02 0.02) = 0.054% Peak 45 (2.15, 0.11, 22.44 ppm): 13 chemical-shift based assignments, quality = 0.901, support = 3.03, residual support = 59.6: O T HB VAL 47 - QG2 VAL 47 7.692% * 80.2804% (0.98 10.0 10.00 3.62 74.16) = 80.280% kept T HB3 GLU- 75 - QG2 VAL 47 7.692% * 16.0138% (0.61 1.0 10.00 0.64 0.21) = 16.014% kept HB3 PRO 35 - QG2 VAL 47 7.692% * 1.5122% (0.51 1.0 1.00 0.73 0.02) = 1.512% kept HG2 GLU- 45 - QG2 VAL 47 7.692% * 1.4680% (0.30 1.0 1.00 1.18 0.11) = 1.468% kept HG3 GLU- 64 - QG2 VAL 47 7.692% * 0.3231% (0.99 1.0 1.00 0.08 0.34) = 0.323% HA1 GLY 58 - QG2 VAL 47 7.692% * 0.0998% (0.27 1.0 1.00 0.09 0.02) = 0.100% HB3 LYS+ 78 - QG2 VAL 47 7.692% * 0.0789% (0.97 1.0 1.00 0.02 0.02) = 0.079% HG2 GLU- 64 - QG2 VAL 47 7.692% * 0.0676% (0.83 1.0 1.00 0.02 0.34) = 0.068% HG2 PRO 104 - QG2 VAL 47 7.692% * 0.0553% (0.68 1.0 1.00 0.02 0.02) = 0.055% HB2 ASP- 28 - QG2 VAL 47 7.692% * 0.0488% (0.60 1.0 1.00 0.02 0.02) = 0.049% HG2 GLN 102 - QG2 VAL 47 7.692% * 0.0201% (0.25 1.0 1.00 0.02 0.66) = 0.020% HB2 ASP- 82 - QG2 VAL 47 7.692% * 0.0179% (0.22 1.0 1.00 0.02 0.34) = 0.018% HB VAL 105 - QG2 VAL 47 7.692% * 0.0141% (0.17 1.0 1.00 0.02 0.02) = 0.014% Peak 46 (1.92, 0.58, 22.44 ppm): 10 chemical-shift based assignments, quality = 0.239, support = 3.41, residual support = 68.3: O T HB2 LEU 23 - QD1 LEU 23 10.000% * 51.1960% (0.24 10.0 10.00 4.98 119.42) = 51.196% kept T HB ILE 29 - QD1 LEU 23 10.000% * 47.7595% (0.25 1.0 10.00 1.80 14.94) = 47.760% kept HB3 GLN 102 - QD1 LEU 23 10.000% * 0.8379% (0.14 1.0 1.00 0.56 0.92) = 0.838% HB3 GLU- 56 - QD1 LEU 23 10.000% * 0.0502% (0.23 1.0 1.00 0.02 0.02) = 0.050% HB2 GLU- 10 - QD1 LEU 23 10.000% * 0.0425% (0.20 1.0 1.00 0.02 0.02) = 0.042% HD3 LYS+ 63 - QD1 LEU 23 10.000% * 0.0405% (0.19 1.0 1.00 0.02 0.48) = 0.041% HB2 GLU- 75 - QD1 LEU 23 10.000% * 0.0258% (0.12 1.0 1.00 0.02 1.32) = 0.026% HB3 LYS+ 55 - QD1 LEU 23 10.000% * 0.0164% (0.08 1.0 1.00 0.02 0.02) = 0.016% HB3 ARG+ 53 - QD1 LEU 23 10.000% * 0.0164% (0.08 1.0 1.00 0.02 0.19) = 0.016% HG3 PRO 31 - QD1 LEU 23 10.000% * 0.0147% (0.07 1.0 1.00 0.02 0.02) = 0.015% Peak 47 (1.86, -0.03, 22.32 ppm): 6 chemical-shift based assignments, quality = 0.836, support = 0.32, residual support = 0.112: T HB3 LYS+ 72 - QD1 LEU 74 16.667% * 64.3598% (0.92 10.00 0.21 0.02) = 64.360% kept HB2 LYS+ 66 - QD1 LEU 74 16.667% * 16.4849% (0.56 1.00 0.88 0.43) = 16.485% kept HB3 LYS+ 60 - QD1 LEU 74 16.667% * 9.0469% (0.89 1.00 0.31 0.29) = 9.047% kept T HB VAL 94 - QD1 LEU 74 16.667% * 6.5991% (0.99 10.00 0.02 0.02) = 6.599% kept HB2 PRO 59 - QD1 LEU 74 16.667% * 2.8837% (0.25 1.00 0.35 0.02) = 2.884% kept HB2 PRO 104 - QD1 LEU 74 16.667% * 0.6256% (0.94 1.00 0.02 0.02) = 0.626% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 50 (1.74, 0.95, 22.34 ppm): 8 chemical-shift based assignments, quality = 0.737, support = 0.493, residual support = 0.635: T HB2 LEU 17 - QG2 VAL 73 12.500% * 84.5039% (0.73 10.00 0.51 0.21) = 84.504% kept HB ILE 48 - QG2 VAL 62 12.500% * 10.9269% (0.87 1.00 0.56 4.15) = 10.927% kept T HB2 LEU 17 - QG2 VAL 62 12.500% * 3.1763% (0.70 10.00 0.02 0.02) = 3.176% kept HB3 LEU 23 - QG2 VAL 73 12.500% * 0.4097% (0.91 1.00 0.02 0.02) = 0.410% HB ILE 48 - QG2 VAL 73 12.500% * 0.4097% (0.91 1.00 0.02 0.02) = 0.410% HB3 LEU 23 - QG2 VAL 62 12.500% * 0.3932% (0.87 1.00 0.02 0.02) = 0.393% HB2 GLN 16 - QG2 VAL 73 12.500% * 0.0920% (0.20 1.00 0.02 0.02) = 0.092% HB2 GLN 16 - QG2 VAL 62 12.500% * 0.0883% (0.20 1.00 0.02 0.02) = 0.088% Peak 51 (1.68, -0.03, 22.32 ppm): 7 chemical-shift based assignments, quality = 0.738, support = 1.07, residual support = 0.477: HG3 ARG+ 84 - QD1 LEU 74 14.286% * 42.4650% (0.89 1.08 0.44) = 42.465% kept HB3 LYS+ 66 - QD1 LEU 74 14.286% * 36.8800% (0.56 1.49 0.43) = 36.880% kept HB3 MET 97 - QD1 LEU 74 14.286% * 12.9803% (0.72 0.41 0.99) = 12.980% kept HB3 LYS+ 81 - QD1 LEU 74 14.286% * 3.1848% (0.92 0.08 0.02) = 3.185% kept HG13 ILE 19 - QD1 LEU 74 14.286% * 3.1181% (0.89 0.08 0.02) = 3.118% kept HD3 LYS+ 55 - QD1 LEU 74 14.286% * 0.8424% (0.96 0.02 0.02) = 0.842% HB ILE 100 - QD1 LEU 74 14.286% * 0.5295% (0.60 0.02 0.02) = 0.529% Peak 52 (1.63, 0.58, 22.44 ppm): 7 chemical-shift based assignments, quality = 0.242, support = 2.63, residual support = 67.2: O HG LEU 23 - QD1 LEU 23 14.286% * 55.6532% (0.24 10.0 1.00 3.52 119.42) = 55.653% kept T HG12 ILE 101 - QD1 LEU 23 14.286% * 42.5424% (0.25 1.0 10.00 1.52 1.57) = 42.542% kept HB3 ARG+ 22 - QD1 LEU 23 14.286% * 1.6297% (0.08 1.0 1.00 1.88 5.13) = 1.630% kept HB ILE 68 - QD1 LEU 23 14.286% * 0.0560% (0.25 1.0 1.00 0.02 0.02) = 0.056% HG LEU 43 - QD1 LEU 23 14.286% * 0.0560% (0.25 1.0 1.00 0.02 0.02) = 0.056% HG3 LYS+ 78 - QD1 LEU 23 14.286% * 0.0487% (0.21 1.0 1.00 0.02 0.02) = 0.049% HD3 LYS+ 32 - QD1 LEU 23 14.286% * 0.0140% (0.06 1.0 1.00 0.02 0.02) = 0.014% 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: Peak unassigned. Peak 57 (1.48, -0.03, 22.35 ppm): 9 chemical-shift based assignments, quality = 0.657, support = 2.08, residual support = 7.19: HB3 LEU 67 - QD1 LEU 74 11.111% * 47.7941% (0.60 3.21 14.85) = 47.794% kept QB ALA 70 - QD1 LEU 74 11.111% * 29.8662% (1.00 1.22 0.27) = 29.866% kept HB2 LYS+ 72 - QD1 LEU 74 11.111% * 7.6994% (0.31 1.02 0.02) = 7.699% kept HG3 LYS+ 72 - QD1 LEU 74 11.111% * 5.6208% (0.22 1.03 0.02) = 5.621% kept HG3 LYS+ 60 - QD1 LEU 74 11.111% * 4.0680% (0.17 0.95 0.29) = 4.068% kept HB3 LYS+ 44 - QD1 LEU 74 11.111% * 2.3234% (1.00 0.09 0.02) = 2.323% kept HD3 LYS+ 108 - QD1 LEU 74 11.111% * 1.0093% (0.41 0.10 0.02) = 1.009% kept HG13 ILE 48 - QD1 LEU 74 11.111% * 0.8917% (0.31 0.12 0.02) = 0.892% HG2 PRO 59 - QD1 LEU 74 11.111% * 0.7271% (0.17 0.17 0.02) = 0.727% 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 = 0.352, support = 2.76, residual support = 12.2: QG2 THR 39 - QG2 THR 79 10.000% * 54.4293% (0.38 3.88 13.85) = 54.429% kept HG2 LYS+ 78 - QG2 THR 79 10.000% * 19.4336% (0.27 1.91 20.61) = 19.434% kept HD3 LYS+ 20 - QG2 THR 79 10.000% * 16.2165% (0.50 0.87 2.67) = 16.216% kept HB3 LYS+ 20 - QG2 THR 79 10.000% * 7.6822% (0.12 1.78 2.67) = 7.682% kept HG LEU 67 - QG2 THR 79 10.000% * 1.0903% (0.34 0.09 0.02) = 1.090% kept HG13 ILE 68 - QG2 THR 79 10.000% * 0.3469% (0.47 0.02 0.02) = 0.347% QB ALA 93 - QG2 THR 79 10.000% * 0.2657% (0.36 0.02 0.02) = 0.266% HG13 ILE 100 - QG2 THR 79 10.000% * 0.2657% (0.36 0.02 0.02) = 0.266% QB ALA 37 - QG2 THR 79 10.000% * 0.1734% (0.23 0.02 0.02) = 0.173% QB ALA 11 - QG2 THR 79 10.000% * 0.0964% (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 = 0.87, support = 3.57, residual support = 14.6: T QG2 THR 79 - QG2 THR 39 16.667% * 85.4237% (0.99 10.00 3.88 13.85) = 85.424% kept T QG2 THR 79 - HG2 LYS+ 78 16.667% * 13.3714% (0.16 10.00 1.91 20.61) = 13.371% kept QG2 THR 95 - QG2 THR 39 16.667% * 1.1536% (0.45 1.00 0.60 0.02) = 1.154% kept QG2 THR 61 - QG2 THR 39 16.667% * 0.0386% (0.45 1.00 0.02 0.02) = 0.039% QG2 THR 95 - HG2 LYS+ 78 16.667% * 0.0063% (0.07 1.00 0.02 0.02) = 0.006% QG2 THR 61 - HG2 LYS+ 78 16.667% * 0.0063% (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 = 0.127, support = 1.51, residual support = 10.6: QG2 ILE 29 - QD1 LEU 23 10.000% * 39.6893% (0.15 1.67 14.94) = 39.689% kept QG2 VAL 99 - QD1 LEU 23 10.000% * 38.0277% (0.13 1.91 12.21) = 38.028% kept QG2 VAL 105 - QD1 LEU 23 10.000% * 11.8337% (0.09 0.88 0.11) = 11.834% kept QG1 VAL 105 - QD1 LEU 23 10.000% * 3.7563% (0.10 0.24 0.11) = 3.756% kept QD1 LEU 17 - QD1 LEU 23 10.000% * 3.7413% (0.09 0.26 0.19) = 3.741% kept HB2 ARG+ 84 - QD1 LEU 23 10.000% * 1.7973% (0.08 0.14 0.02) = 1.797% kept QG2 VAL 73 - QD1 LEU 23 10.000% * 0.4726% (0.15 0.02 0.02) = 0.473% QG2 VAL 62 - QD1 LEU 23 10.000% * 0.4511% (0.14 0.02 0.02) = 0.451% HG12 ILE 68 - QD1 LEU 23 10.000% * 0.1472% (0.05 0.02 0.02) = 0.147% QG2 VAL 80 - QD1 LEU 23 10.000% * 0.0835% (0.03 0.02 0.02) = 0.084% Peak 67 (0.92, 3.87, 63.78 ppm): 24 chemical-shift based assignments, quality = 0.468, support = 0.499, residual support = 0.588: HB2 ARG+ 84 - HB2 SER 85 4.167% * 28.8717% (0.49 0.94 1.96) = 28.872% kept QG1 VAL 47 - HB2 SER 85 4.167% * 18.8483% (0.52 0.57 0.02) = 18.848% kept QG1 VAL 47 - HB3 SER 27 4.167% * 14.6715% (0.58 0.40 0.02) = 14.671% kept QG2 VAL 87 - HB2 SER 85 4.167% * 11.1074% (0.45 0.39 0.11) = 11.107% kept QG2 VAL 40 - HB2 SER 85 4.167% * 4.1960% (0.45 0.15 0.02) = 4.196% kept QG2 VAL 105 - HB3 SER 27 4.167% * 3.7156% (0.50 0.12 0.02) = 3.716% kept QG1 VAL 105 - HB3 SER 27 4.167% * 3.1662% (0.43 0.12 0.02) = 3.166% kept QG2 VAL 105 - HB2 SER 85 4.167% * 3.1242% (0.45 0.11 0.02) = 3.124% kept QG1 VAL 105 - HB2 SER 85 4.167% * 2.6622% (0.38 0.11 0.02) = 2.662% kept QG2 VAL 80 - HB3 SER 27 4.167% * 1.1532% (0.91 0.02 0.02) = 1.153% kept QG2 VAL 80 - HB2 SER 85 4.167% * 1.0317% (0.81 0.02 0.02) = 1.032% kept HG12 ILE 68 - HB3 SER 27 4.167% * 0.9761% (0.77 0.02 0.02) = 0.976% HG12 ILE 68 - HB2 SER 85 4.167% * 0.8734% (0.69 0.02 0.02) = 0.873% QD1 LEU 67 - HB3 SER 27 4.167% * 0.8374% (0.66 0.02 0.02) = 0.837% QD1 LEU 67 - HB2 SER 85 4.167% * 0.7492% (0.59 0.02 0.02) = 0.749% HB2 ARG+ 84 - HB3 SER 27 4.167% * 0.6902% (0.54 0.02 0.02) = 0.690% QG2 VAL 87 - HB3 SER 27 4.167% * 0.6414% (0.50 0.02 0.02) = 0.641% QG2 VAL 40 - HB3 SER 27 4.167% * 0.6414% (0.50 0.02 0.02) = 0.641% QD1 LEU 17 - HB3 SER 27 4.167% * 0.5934% (0.47 0.02 0.10) = 0.593% QD1 LEU 17 - HB2 SER 85 4.167% * 0.5309% (0.42 0.02 0.54) = 0.531% QG1 VAL 80 - HB3 SER 27 4.167% * 0.2714% (0.21 0.02 0.02) = 0.271% QG1 VAL 80 - HB2 SER 85 4.167% * 0.2428% (0.19 0.02 0.02) = 0.243% QG2 VAL 62 - HB3 SER 27 4.167% * 0.2135% (0.17 0.02 0.02) = 0.213% QG2 VAL 62 - HB2 SER 85 4.167% * 0.1910% (0.15 0.02 0.02) = 0.191% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 69 (0.91, 0.11, 22.43 ppm): 11 chemical-shift based assignments, quality = 0.865, support = 3.59, residual support = 71.0: O QG1 VAL 47 - QG2 VAL 47 9.091% * 95.7237% (0.88 10.0 3.73 74.16) = 95.724% kept QD1 LEU 67 - QG2 VAL 47 9.091% * 2.5623% (0.93 1.0 0.51 0.61) = 2.562% kept QG1 VAL 80 - QG2 VAL 47 9.091% * 0.7451% (0.48 1.0 0.29 0.02) = 0.745% HG12 ILE 68 - QG2 VAL 47 9.091% * 0.6161% (0.48 1.0 0.24 0.02) = 0.616% QG2 VAL 87 - QG2 VAL 47 9.091% * 0.0892% (0.82 1.0 0.02 0.02) = 0.089% QG2 VAL 40 - QG2 VAL 47 9.091% * 0.0892% (0.82 1.0 0.02 0.02) = 0.089% QG2 VAL 80 - QG2 VAL 47 9.091% * 0.0733% (0.67 1.0 0.02 0.02) = 0.073% HB2 ARG+ 84 - QG2 VAL 47 9.091% * 0.0297% (0.27 1.0 0.02 0.02) = 0.030% QG2 VAL 105 - QG2 VAL 47 9.091% * 0.0266% (0.24 1.0 0.02 0.02) = 0.027% QD1 LEU 17 - QG2 VAL 47 9.091% * 0.0238% (0.22 1.0 0.02 0.16) = 0.024% QG1 VAL 105 - QG2 VAL 47 9.091% * 0.0211% (0.19 1.0 0.02 0.02) = 0.021% Peak 74 (0.75, 0.11, 22.44 ppm): 5 chemical-shift based assignments, quality = 0.539, support = 2.95, residual support = 15.5: QG2 ILE 48 - QG2 VAL 47 20.000% * 65.1882% (0.39 4.22 22.57) = 65.188% kept HG3 LYS+ 44 - QG2 VAL 47 20.000% * 25.8389% (0.94 0.70 2.93) = 25.839% kept HG3 LYS+ 66 - QG2 VAL 47 20.000% * 5.6451% (0.60 0.24 0.02) = 5.645% kept QD1 ILE 68 - QG2 VAL 47 20.000% * 2.5877% (0.28 0.24 0.02) = 2.588% kept QG1 VAL 40 - QG2 VAL 47 20.000% * 0.7400% (0.25 0.08 0.02) = 0.740% Peak 75 (0.73, -0.03, 22.35 ppm): 7 chemical-shift based assignments, quality = 0.806, support = 4.52, residual support = 84.2: O HG LEU 74 - QD1 LEU 74 14.286% * 77.6498% (0.80 10.0 5.13 107.93) = 77.650% kept QD1 ILE 68 - QD1 LEU 74 14.286% * 14.7393% (0.98 1.0 3.07 2.28) = 14.739% kept HG3 LYS+ 66 - QD1 LEU 74 14.286% * 5.7104% (0.76 1.0 1.54 0.43) = 5.710% kept QG2 ILE 101 - QD1 LEU 74 14.286% * 0.9051% (0.57 1.0 0.33 0.13) = 0.905% QG2 ILE 48 - QD1 LEU 74 14.286% * 0.5149% (0.68 1.0 0.15 0.02) = 0.515% QG2 THR 96 - QD1 LEU 74 14.286% * 0.3836% (0.31 1.0 0.26 0.02) = 0.384% QG1 VAL 40 - QD1 LEU 74 14.286% * 0.0968% (0.99 1.0 0.02 0.02) = 0.097% 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): 3 chemical-shift based assignments, quality = 0.0475, support = 1.89, residual support = 12.0: T QD1 LEU 23 - QG2 VAL 99 33.333% * 98.0001% (0.05 10.00 1.91 12.21) = 98.000% kept QD1 ILE 101 - QG2 VAL 99 33.333% * 1.2106% (0.01 1.00 1.17 3.72) = 1.211% kept QG2 ILE 48 - QG2 VAL 99 33.333% * 0.7892% (0.01 1.00 0.96 0.49) = 0.789% Peak 79 (0.46, -0.03, 22.34 ppm): 2 chemical-shift based assignments, quality = 0.975, support = 5.29, residual support = 107.9: O QD2 LEU 74 - QD1 LEU 74 50.000% * 99.9382% (0.98 10.0 5.29 107.93) = 99.938% kept QD2 LEU 43 - QD1 LEU 74 50.000% * 0.0618% (0.60 1.0 0.02 0.02) = 0.062% Peak 80 (0.43, 0.59, 22.44 ppm): 2 chemical-shift based assignments, quality = 0.0326, support = 0.02, residual support = 0.02: QD1 ILE 48 - QD1 LEU 23 50.000% * 50.0000% (0.03 0.02 0.02) = 50.000% kept HG12 ILE 48 - QD1 LEU 23 50.000% * 50.0000% (0.03 0.02 0.02) = 50.000% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 82 (0.29, 0.59, 22.44 ppm): 1 chemical-shift based assignment, quality = 0.24, support = 4.54, residual support = 119.4: O T QD2 LEU 23 - QD1 LEU 23 100.000% *100.0000% (0.24 10.0 10.00 4.54 119.42) = 100.000% 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 = 0.157, support = 3.56, residual support = 20.6: HN VAL 62 - QG2 VAL 62 12.500% * 77.8531% (0.16 4.46 26.40) = 77.853% kept HN PHE 34 - QG2 VAL 62 12.500% * 9.0915% (0.19 0.43 0.02) = 9.092% kept HN SER 69 - QG2 VAL 73 12.500% * 8.0599% (0.11 0.65 0.38) = 8.060% kept HN PHE 34 - QG2 VAL 73 12.500% * 2.5423% (0.21 0.11 0.02) = 2.542% kept HN THR 95 - QG2 VAL 73 12.500% * 1.5296% (0.16 0.09 0.02) = 1.530% kept HN VAL 62 - QG2 VAL 73 12.500% * 0.3867% (0.17 0.02 0.02) = 0.387% HN THR 95 - QG2 VAL 62 12.500% * 0.3141% (0.14 0.02 0.02) = 0.314% HN SER 69 - QG2 VAL 62 12.500% * 0.2226% (0.10 0.02 0.02) = 0.223% Peak 93 (8.60, 1.10, 22.30 ppm): 5 chemical-shift based assignments, quality = 0.479, support = 2.78, residual support = 8.93: HN LYS+ 20 - QG2 THR 79 20.000% * 44.1368% (0.71 1.81 2.67) = 44.137% kept HN VAL 80 - QG2 THR 79 20.000% * 43.4792% (0.30 4.25 13.96) = 43.479% kept HN THR 39 - QG2 THR 79 20.000% * 12.1586% (0.32 1.09 13.85) = 12.159% kept HN VAL 73 - QG2 THR 79 20.000% * 0.1383% (0.20 0.02 0.02) = 0.138% HN SER 85 - QG2 THR 79 20.000% * 0.0871% (0.13 0.02 0.02) = 0.087% Peak 94 (8.59, 0.95, 22.22 ppm): 8 chemical-shift based assignments, quality = 0.464, support = 2.57, residual support = 12.2: HN VAL 73 - QG2 VAL 73 12.500% * 60.8667% (0.44 3.94 19.96) = 60.867% kept HN VAL 80 - QG2 VAL 73 12.500% * 10.1293% (0.53 0.54 0.02) = 10.129% kept HN VAL 80 - QG2 VAL 62 12.500% * 9.8207% (0.53 0.53 0.02) = 9.821% kept HN VAL 73 - QG2 VAL 62 12.500% * 7.6732% (0.43 0.50 0.02) = 7.673% kept HN LYS+ 20 - QG2 VAL 62 12.500% * 6.1807% (0.55 0.32 0.02) = 6.181% kept HN THR 39 - QG2 VAL 62 12.500% * 4.5494% (0.55 0.24 0.02) = 4.549% kept HN THR 39 - QG2 VAL 73 12.500% * 0.3900% (0.55 0.02 0.19) = 0.390% HN LYS+ 20 - QG2 VAL 73 12.500% * 0.3900% (0.55 0.02 0.02) = 0.390% Peak 95 (8.45, 4.27, 63.48 ppm): 7 chemical-shift based assignments, quality = 0.0504, support = 0.655, residual support = 0.167: HN GLU- 107 - HB3 SER 49 14.286% * 45.3681% (0.06 0.70 0.02) = 45.368% kept HN GLY 92 - HB3 SER 49 14.286% * 31.7759% (0.04 0.73 0.42) = 31.776% kept HN ARG+ 53 - HB3 SER 49 14.286% * 19.8118% (0.04 0.54 0.02) = 19.812% kept HN LEU 74 - HB3 SER 49 14.286% * 1.7752% (0.09 0.02 1.07) = 1.775% kept HN GLU- 75 - HB3 SER 49 14.286% * 0.6722% (0.03 0.02 0.27) = 0.672% HN HIS+ 14 - HB3 SER 49 14.286% * 0.3544% (0.02 0.02 0.02) = 0.354% HN GLU- 18 - HB3 SER 49 14.286% * 0.2424% (0.01 0.02 0.02) = 0.242% Not enough quality. Peak unassigned. Peak 96 (8.48, 0.93, 22.17 ppm): 15 chemical-shift based assignments, quality = 0.311, support = 1.18, residual support = 1.59: HN GLU- 18 - QG1 VAL 47 6.667% * 48.2914% (0.46 1.20 0.65) = 48.291% kept HN GLU- 18 - QG2 VAL 73 6.667% * 16.3158% (0.25 0.73 0.16) = 16.316% kept HN LEU 74 - QG2 VAL 73 6.667% * 12.1442% (0.04 3.46 10.30) = 12.144% kept HN GLU- 18 - QG2 VAL 62 6.667% * 8.3155% (0.29 0.32 0.02) = 8.316% kept HN GLY 92 - QG2 VAL 73 6.667% * 5.4816% (0.22 0.29 0.02) = 5.482% kept HN GLU- 107 - QG2 VAL 73 6.667% * 4.0858% (0.16 0.30 0.02) = 4.086% kept HN LEU 74 - QG1 VAL 47 6.667% * 1.7636% (0.07 0.28 0.02) = 1.764% kept HN GLU- 10 - QG1 VAL 47 6.667% * 0.7145% (0.41 0.02 0.02) = 0.715% HN GLY 92 - QG1 VAL 47 6.667% * 0.6880% (0.39 0.02 0.02) = 0.688% HN GLU- 107 - QG1 VAL 47 6.667% * 0.4996% (0.28 0.02 0.02) = 0.500% HN GLU- 10 - QG2 VAL 62 6.667% * 0.4597% (0.26 0.02 0.02) = 0.460% HN GLY 92 - QG2 VAL 62 6.667% * 0.4427% (0.25 0.02 0.02) = 0.443% HN GLU- 10 - QG2 VAL 73 6.667% * 0.3942% (0.22 0.02 0.02) = 0.394% HN GLU- 107 - QG2 VAL 62 6.667% * 0.3215% (0.18 0.02 0.02) = 0.321% HN LEU 74 - QG2 VAL 62 6.667% * 0.0818% (0.05 0.02 0.02) = 0.082% Peak 97 (8.26, 4.06, 63.54 ppm): 24 chemical-shift based assignments, quality = 0.112, support = 3.31, residual support = 11.9: O HN SER 49 - HB2 SER 49 4.167% * 55.9853% (0.11 10.0 3.99 14.71) = 55.985% kept O HN SER 49 - HB3 SER 49 4.167% * 24.5196% (0.05 10.0 3.75 14.71) = 24.520% kept HN LEU 67 - HB3 SER 49 4.167% * 4.4593% (0.09 1.0 1.92 0.02) = 4.459% kept HN THR 106 - HB2 SER 49 4.167% * 3.3827% (0.40 1.0 0.34 0.46) = 3.383% kept HN THR 106 - HB3 SER 49 4.167% * 3.0862% (0.17 1.0 0.71 0.46) = 3.086% kept HN LEU 67 - HB2 SER 49 4.167% * 3.0057% (0.21 1.0 0.57 0.02) = 3.006% kept HN GLY 58 - HB2 SER 49 4.167% * 2.9975% (0.17 1.0 0.72 0.02) = 2.997% kept HN LYS+ 81 - HB2 SER 49 4.167% * 1.4307% (0.21 1.0 0.27 0.02) = 1.431% kept HN GLN 16 - HB2 SER 49 4.167% * 0.1747% (0.35 1.0 0.02 0.02) = 0.175% HN GLU- 12 - HB2 SER 49 4.167% * 0.1303% (0.26 1.0 0.02 0.02) = 0.130% HN THR 106 - HB3 SER 85 4.167% * 0.1079% (0.22 1.0 0.02 0.02) = 0.108% HN GLN 16 - HB3 SER 85 4.167% * 0.0944% (0.19 1.0 0.02 0.96) = 0.094% HN GLN 16 - HB3 SER 49 4.167% * 0.0765% (0.15 1.0 0.02 0.02) = 0.076% HN ASN 89 - HB2 SER 49 4.167% * 0.0756% (0.15 1.0 0.02 0.02) = 0.076% HN GLU- 12 - HB3 SER 85 4.167% * 0.0704% (0.14 1.0 0.02 0.02) = 0.070% HN LYS+ 81 - HB3 SER 85 4.167% * 0.0573% (0.11 1.0 0.02 0.02) = 0.057% HN LEU 67 - HB3 SER 85 4.167% * 0.0573% (0.11 1.0 0.02 0.02) = 0.057% HN GLU- 12 - HB3 SER 49 4.167% * 0.0570% (0.11 1.0 0.02 0.02) = 0.057% HN LYS+ 81 - HB3 SER 49 4.167% * 0.0464% (0.09 1.0 0.02 0.02) = 0.046% HN GLY 58 - HB3 SER 85 4.167% * 0.0448% (0.09 1.0 0.02 0.02) = 0.045% HN ASN 89 - HB3 SER 85 4.167% * 0.0409% (0.08 1.0 0.02 0.02) = 0.041% HN GLY 58 - HB3 SER 49 4.167% * 0.0363% (0.07 1.0 0.02 0.02) = 0.036% HN ASN 89 - HB3 SER 49 4.167% * 0.0331% (0.07 1.0 0.02 0.02) = 0.033% HN SER 49 - HB3 SER 85 4.167% * 0.0303% (0.06 1.0 0.02 0.02) = 0.030% 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, 0.95, 22.08 ppm): 20 chemical-shift based assignments, quality = 0.172, support = 0.695, residual support = 0.513: HN LYS+ 81 - QG2 VAL 73 5.000% * 22.5311% (0.21 0.98 0.34) = 22.531% kept HN GLU- 45 - QG2 VAL 73 5.000% * 16.0436% (0.11 1.30 2.08) = 16.044% kept HN SER 49 - QG2 VAL 73 5.000% * 15.5507% (0.25 0.57 0.02) = 15.551% kept HN ALA 11 - QG2 VAL 73 5.000% * 8.4990% (0.13 0.59 0.02) = 8.499% kept HN GLU- 45 - QG2 VAL 62 5.000% * 8.2853% (0.11 0.68 1.13) = 8.285% kept HN SER 49 - QG2 VAL 62 5.000% * 7.0830% (0.25 0.26 0.02) = 7.083% kept HN VAL 94 - QG2 VAL 62 5.000% * 6.5161% (0.18 0.33 0.02) = 6.516% kept HN LYS+ 81 - QG2 VAL 62 5.000% * 5.2613% (0.21 0.23 0.02) = 5.261% kept HN THR 106 - QG2 VAL 73 5.000% * 3.6594% (0.07 0.48 0.02) = 3.659% kept HN LEU 67 - QG2 VAL 73 5.000% * 2.7090% (0.21 0.12 0.02) = 2.709% kept HN GLY 58 - QG2 VAL 73 5.000% * 0.5097% (0.23 0.02 0.02) = 0.510% HN GLY 58 - QG2 VAL 62 5.000% * 0.5040% (0.23 0.02 0.02) = 0.504% HN LEU 67 - QG2 VAL 62 5.000% * 0.4560% (0.21 0.02 0.02) = 0.456% HN VAL 94 - QG2 VAL 73 5.000% * 0.4009% (0.18 0.02 1.15) = 0.401% HN GLU- 12 - QG2 VAL 73 5.000% * 0.4009% (0.18 0.02 0.02) = 0.401% HN GLU- 12 - QG2 VAL 62 5.000% * 0.3965% (0.18 0.02 0.02) = 0.396% HN VAL 105 - QG2 VAL 73 5.000% * 0.3793% (0.17 0.02 0.02) = 0.379% HN VAL 105 - QG2 VAL 62 5.000% * 0.3750% (0.17 0.02 0.02) = 0.375% HN ALA 11 - QG2 VAL 62 5.000% * 0.2872% (0.13 0.02 0.02) = 0.287% HN THR 106 - QG2 VAL 62 5.000% * 0.1518% (0.07 0.02 0.02) = 0.152% Not enough quality. Peak unassigned. Peak 100 (7.85, 0.96, 22.06 ppm): 6 chemical-shift based assignments, quality = 0.0634, support = 2.92, residual support = 14.8: HN LYS+ 63 - QG2 VAL 62 16.667% * 83.5099% (0.06 3.45 17.73) = 83.510% kept HN THR 38 - QG2 VAL 73 16.667% * 13.6609% (0.11 0.29 0.26) = 13.661% kept HN THR 38 - QG2 VAL 62 16.667% * 0.8598% (0.10 0.02 0.02) = 0.860% HD22 ASN 89 - QG2 VAL 73 16.667% * 0.7522% (0.09 0.02 0.02) = 0.752% HD22 ASN 89 - QG2 VAL 62 16.667% * 0.6900% (0.08 0.02 0.02) = 0.690% HN LYS+ 63 - QG2 VAL 73 16.667% * 0.5271% (0.06 0.02 0.02) = 0.527% Peak 101 (7.51, 0.89, 22.14 ppm): 2 chemical-shift based assignments, quality = 0.57, support = 0.652, residual support = 1.46: HE3 TRP 51 - QG1 VAL 47 50.000% * 64.1448% (0.65 0.69 2.08) = 64.145% kept HN ASP- 82 - QG1 VAL 47 50.000% * 35.8552% (0.42 0.59 0.34) = 35.855% kept Peak 102 (7.33, 0.90, 22.16 ppm): 6 chemical-shift based assignments, quality = 0.794, support = 2.76, residual support = 28.9: HN VAL 47 - QG1 VAL 47 16.667% * 36.8305% (0.68 4.95 74.16) = 36.830% kept HZ PHE 34 - QG1 VAL 47 16.667% * 17.4835% (0.93 1.72 2.89) = 17.483% kept QE PHE 34 - QG1 VAL 47 16.667% * 16.2701% (0.93 1.60 2.89) = 16.270% kept QD PHE 34 - QG1 VAL 47 16.667% * 13.9538% (0.75 1.70 2.89) = 13.954% kept HZ2 TRP 51 - QG1 VAL 47 16.667% * 8.4786% (0.93 0.83 2.08) = 8.479% kept HN ARG+ 84 - QG1 VAL 47 16.667% * 6.9835% (0.65 0.99 0.02) = 6.984% kept Peak 103 (6.74, 0.89, 22.15 ppm): 2 chemical-shift based assignments, quality = 0.863, support = 0.92, residual support = 1.53: HZ3 TRP 51 - QG1 VAL 47 50.000% * 64.4170% (0.85 1.11 2.08) = 64.417% kept QE TYR 83 - QG1 VAL 47 50.000% * 35.5830% (0.89 0.58 0.53) = 35.583% kept Peak 104 (5.37, 1.10, 22.26 ppm): 1 chemical-shift based assignment, quality = 0.806, support = 3.09, residual support = 18.4: O T HA THR 79 - QG2 THR 79 100.000% *100.0000% (0.81 10.0 10.00 3.09 18.35) = 100.000% kept Peak 106 (4.58, 0.95, 22.15 ppm): 8 chemical-shift based assignments, quality = 0.418, support = 1.89, residual support = 13.9: HA LYS+ 72 - QG2 VAL 73 12.500% * 85.5852% (0.43 2.17 16.12) = 85.585% kept HA LYS+ 72 - QG2 VAL 62 12.500% * 12.0293% (0.42 0.31 0.59) = 12.029% kept HA LYS+ 78 - QG2 VAL 73 12.500% * 0.5749% (0.31 0.02 0.02) = 0.575% HA LYS+ 78 - QG2 VAL 62 12.500% * 0.5685% (0.31 0.02 0.02) = 0.569% HA ASP- 25 - QG2 VAL 73 12.500% * 0.4483% (0.24 0.02 0.02) = 0.448% HA ASP- 25 - QG2 VAL 62 12.500% * 0.4432% (0.24 0.02 0.02) = 0.443% HA LYS+ 55 - QG2 VAL 73 12.500% * 0.1763% (0.10 0.02 0.02) = 0.176% HA LYS+ 55 - QG2 VAL 62 12.500% * 0.1743% (0.09 0.02 0.02) = 0.174% Peak 107 (4.51, 4.09, 63.63 ppm): 10 chemical-shift based assignments, quality = 0.1, support = 0.244, residual support = 0.445: HA SER 77 - HB3 SER 49 10.000% * 35.8571% (0.11 0.29 0.68) = 35.857% kept HA SER 77 - HB2 SER 49 10.000% * 28.9541% (0.07 0.37 0.68) = 28.954% kept HB THR 46 - HB3 SER 49 10.000% * 14.9199% (0.17 0.08 0.02) = 14.920% kept HA ALA 103 - HB3 SER 49 10.000% * 9.7609% (0.04 0.20 0.02) = 9.761% kept HB THR 79 - HB3 SER 49 10.000% * 3.9287% (0.17 0.02 0.02) = 3.929% kept HB THR 79 - HB2 SER 49 10.000% * 2.4727% (0.11 0.02 0.02) = 2.473% kept HB THR 46 - HB2 SER 49 10.000% * 2.3916% (0.11 0.02 0.02) = 2.392% kept HA LYS+ 32 - HB3 SER 49 10.000% * 0.6759% (0.03 0.02 0.02) = 0.676% HA ALA 103 - HB2 SER 49 10.000% * 0.6138% (0.03 0.02 0.02) = 0.614% HA LYS+ 32 - HB2 SER 49 10.000% * 0.4254% (0.02 0.02 0.02) = 0.425% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 108 (4.51, 1.10, 22.26 ppm): 5 chemical-shift based assignments, quality = 0.705, support = 3.37, residual support = 18.3: O HB THR 79 - QG2 THR 79 20.000% * 99.5230% (0.71 10.0 3.39 18.35) = 99.523% kept HA SER 77 - QG2 THR 79 20.000% * 0.3300% (0.43 1.0 0.11 0.02) = 0.330% HB THR 46 - QG2 THR 79 20.000% * 0.1029% (0.73 1.0 0.02 0.02) = 0.103% HA ALA 103 - QG2 THR 79 20.000% * 0.0286% (0.20 1.0 0.02 0.02) = 0.029% HA LYS+ 32 - QG2 THR 79 20.000% * 0.0155% (0.11 1.0 0.02 0.02) = 0.016% Peak 109 (4.28, 4.28, 63.45 ppm): 13 chemical-shift based assignments, quality = 0.0577, support = 0.91, residual support = 1.23: HA VAL 65 - HB3 SER 49 7.692% * 38.7653% (0.06 1.24 1.70) = 38.765% kept HA THR 106 - HB3 SER 49 7.692% * 24.7238% (0.08 0.57 0.46) = 24.724% kept HA GLU- 64 - HB3 SER 49 7.692% * 21.4690% (0.03 1.26 2.10) = 21.469% kept HA VAL 94 - HB3 SER 49 7.692% * 6.2106% (0.07 0.17 0.02) = 6.211% kept HA PRO 52 - HB3 SER 49 7.692% * 4.5172% (0.07 0.13 0.02) = 4.517% kept HA LEU 90 - HB3 SER 49 7.692% * 0.8914% (0.09 0.02 0.02) = 0.891% HA ARG+ 84 - HB3 SER 49 7.692% * 0.6950% (0.07 0.02 0.02) = 0.695% HA SER 85 - HB3 SER 49 7.692% * 0.6950% (0.07 0.02 0.02) = 0.695% HD3 PRO 59 - HB3 SER 49 7.692% * 0.6950% (0.07 0.02 0.02) = 0.695% HA ASP- 36 - HB3 SER 49 7.692% * 0.6604% (0.06 0.02 0.02) = 0.660% HA GLU- 75 - HB3 SER 49 7.692% * 0.3102% (0.03 0.02 0.27) = 0.310% HA ILE 29 - HB3 SER 49 7.692% * 0.2268% (0.02 0.02 0.02) = 0.227% HA GLU- 56 - HB3 SER 49 7.692% * 0.1403% (0.01 0.02 0.02) = 0.140% Not enough quality. Peak unassigned. Peak 110 (4.26, 0.73, 22.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 112 (4.18, 0.93, 22.12 ppm): 18 chemical-shift based assignments, quality = 0.254, support = 1.7, residual support = 9.42: O T HA VAL 73 - QG2 VAL 73 5.556% * 47.0802% (0.27 10.0 10.00 3.07 19.96) = 47.080% kept T HB3 SER 49 - QG1 VAL 47 5.556% * 14.0492% (0.23 1.0 10.00 0.71 0.12) = 14.049% kept T HA VAL 73 - QG1 VAL 47 5.556% * 12.7950% (0.26 1.0 10.00 0.58 0.02) = 12.795% kept T HA VAL 73 - QG2 VAL 62 5.556% * 10.5016% (0.30 1.0 10.00 0.41 0.02) = 10.502% kept T HB3 SER 49 - QG2 VAL 62 5.556% * 6.4855% (0.27 1.0 10.00 0.28 0.02) = 6.486% kept T HA VAL 105 - QG1 VAL 47 5.556% * 3.9662% (0.13 1.0 10.00 0.34 0.02) = 3.966% kept T HB3 SER 49 - QG2 VAL 73 5.556% * 2.5008% (0.24 1.0 10.00 0.12 0.02) = 2.501% kept T HA VAL 87 - QG1 VAL 47 5.556% * 1.8004% (0.05 1.0 10.00 0.41 0.02) = 1.800% kept T HA VAL 105 - QG2 VAL 62 5.556% * 0.2706% (0.16 1.0 10.00 0.02 0.02) = 0.271% T HA VAL 105 - QG2 VAL 73 5.556% * 0.2483% (0.14 1.0 10.00 0.02 0.02) = 0.248% T HA VAL 87 - QG2 VAL 62 5.556% * 0.1018% (0.06 1.0 10.00 0.02 0.02) = 0.102% T HA VAL 87 - QG2 VAL 73 5.556% * 0.0934% (0.05 1.0 10.00 0.02 0.02) = 0.093% HB THR 106 - QG2 VAL 62 5.556% * 0.0271% (0.16 1.0 1.00 0.02 0.02) = 0.027% HB THR 106 - QG2 VAL 73 5.556% * 0.0248% (0.14 1.0 1.00 0.02 0.02) = 0.025% HB THR 106 - QG1 VAL 47 5.556% * 0.0233% (0.13 1.0 1.00 0.02 0.02) = 0.023% HA ASP- 82 - QG2 VAL 62 5.556% * 0.0115% (0.07 1.0 1.00 0.02 0.02) = 0.011% HA ASP- 82 - QG2 VAL 73 5.556% * 0.0105% (0.06 1.0 1.00 0.02 0.02) = 0.011% HA ASP- 82 - QG1 VAL 47 5.556% * 0.0099% (0.06 1.0 1.00 0.02 0.34) = 0.010% Peak 116 (3.84, 0.95, 22.05 ppm): 14 chemical-shift based assignments, quality = 0.0453, support = 0.777, residual support = 1.11: HA GLU- 45 - QG2 VAL 73 7.143% * 36.7568% (0.03 1.00 1.27 2.08) = 36.757% kept HA GLU- 45 - QG2 VAL 62 7.143% * 29.5465% (0.03 1.00 1.03 1.13) = 29.547% kept T HB2 SER 85 - QG2 VAL 62 7.143% * 13.5144% (0.08 10.00 0.02 0.02) = 13.514% kept T HB3 SER 27 - QG2 VAL 62 7.143% * 6.5055% (0.04 10.00 0.02 0.02) = 6.505% kept HA2 GLY 92 - QG2 VAL 73 7.143% * 2.0013% (0.11 1.00 0.02 0.02) = 2.001% kept HA2 GLY 92 - QG2 VAL 62 7.143% * 1.9938% (0.11 1.00 0.02 0.02) = 1.994% kept HB3 SER 88 - QG2 VAL 73 7.143% * 1.4793% (0.08 1.00 0.02 0.02) = 1.479% kept HB3 SER 88 - QG2 VAL 62 7.143% * 1.4738% (0.08 1.00 0.02 0.02) = 1.474% kept HB2 SER 85 - QG2 VAL 73 7.143% * 1.3565% (0.08 1.00 0.02 0.02) = 1.357% kept HB3 SER 77 - QG2 VAL 73 7.143% * 1.2384% (0.07 1.00 0.02 0.02) = 1.238% kept HB3 SER 77 - QG2 VAL 62 7.143% * 1.2338% (0.07 1.00 0.02 0.02) = 1.234% kept HD3 PRO 86 - QG2 VAL 73 7.143% * 1.1255% (0.06 1.00 0.02 0.02) = 1.126% kept HD3 PRO 86 - QG2 VAL 62 7.143% * 1.1213% (0.06 1.00 0.02 0.02) = 1.121% kept HB3 SER 27 - QG2 VAL 73 7.143% * 0.6530% (0.04 1.00 0.02 0.02) = 0.653% Not enough quality. Peak unassigned. Peak 119 (3.72, -0.04, 22.26 ppm): 5 chemical-shift based assignments, quality = 0.698, support = 3.45, residual support = 31.8: T HB3 SER 69 - QD1 LEU 74 20.000% * 99.6114% (0.70 10.00 3.46 31.90) = 99.611% kept HA LYS+ 81 - QD1 LEU 74 20.000% * 0.2507% (0.45 1.00 0.08 0.02) = 0.251% HA LEU 43 - QD1 LEU 74 20.000% * 0.0584% (0.41 1.00 0.02 0.02) = 0.058% HB2 TRP 51 - QD1 LEU 74 20.000% * 0.0536% (0.38 1.00 0.02 0.02) = 0.054% HD3 PRO 104 - QD1 LEU 74 20.000% * 0.0258% (0.18 1.00 0.02 0.02) = 0.026% 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, 0.95, 22.08 ppm): 12 chemical-shift based assignments, quality = 0.209, support = 2.65, residual support = 23.4: O T HA VAL 62 - QG2 VAL 62 8.333% * 88.7055% (0.21 10.0 10.00 2.96 26.40) = 88.706% kept T HA VAL 62 - QG2 VAL 73 8.333% * 5.9821% (0.22 1.0 10.00 0.13 0.02) = 5.982% kept HA VAL 80 - QG2 VAL 73 8.333% * 1.6941% (0.21 1.0 1.00 0.40 0.02) = 1.694% kept HA VAL 80 - QG2 VAL 62 8.333% * 1.5820% (0.20 1.0 1.00 0.39 0.02) = 1.582% kept T HA VAL 40 - QG2 VAL 73 8.333% * 0.8830% (0.21 1.0 10.00 0.02 0.02) = 0.883% T HA VAL 40 - QG2 VAL 62 8.333% * 0.8410% (0.20 1.0 10.00 0.02 0.02) = 0.841% HA ILE 48 - QG2 VAL 73 8.333% * 0.0637% (0.15 1.0 1.00 0.02 0.02) = 0.064% HA ILE 48 - QG2 VAL 62 8.333% * 0.0607% (0.15 1.0 1.00 0.02 4.15) = 0.061% HD3 PRO 31 - QG2 VAL 73 8.333% * 0.0557% (0.13 1.0 1.00 0.02 0.02) = 0.056% HD3 PRO 31 - QG2 VAL 62 8.333% * 0.0531% (0.13 1.0 1.00 0.02 0.02) = 0.053% HA1 GLY 71 - QG2 VAL 73 8.333% * 0.0405% (0.10 1.0 1.00 0.02 0.02) = 0.040% HA1 GLY 71 - QG2 VAL 62 8.333% * 0.0386% (0.09 1.0 1.00 0.02 0.24) = 0.039% Peak 133 (3.45, 0.73, 22.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 138 (3.08, 0.89, 22.12 ppm): 4 chemical-shift based assignments, quality = 0.762, support = 3.96, residual support = 73.2: O T HA VAL 47 - QG1 VAL 47 25.000% * 98.7089% (0.77 10.0 10.00 4.00 74.16) = 98.709% kept HB3 TRP 51 - QG1 VAL 47 25.000% * 1.0804% (0.16 1.0 1.00 1.04 2.08) = 1.080% kept HA1 GLY 58 - QG1 VAL 47 25.000% * 0.1812% (0.31 1.0 1.00 0.09 0.02) = 0.181% HB3 ASP- 25 - QG1 VAL 47 25.000% * 0.0295% (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 = 0.262, support = 0.0892, residual support = 0.0198: HA1 GLY 58 - QG2 VAL 62 11.111% * 37.6764% (0.25 0.14 0.02) = 37.676% kept HA1 GLY 58 - QG1 VAL 47 11.111% * 29.4294% (0.29 0.09 0.02) = 29.429% kept HB3 ASN 76 - QG1 VAL 47 11.111% * 8.0314% (0.37 0.02 0.02) = 8.031% kept HB3 ASN 76 - QG2 VAL 62 11.111% * 6.8306% (0.31 0.02 0.02) = 6.831% kept HB3 ASN 76 - QG2 VAL 73 11.111% * 6.0355% (0.28 0.02 0.02) = 6.035% kept HB3 ASN 89 - QG1 VAL 47 11.111% * 5.2182% (0.06 0.08 0.02) = 5.218% kept HA1 GLY 58 - QG2 VAL 73 11.111% * 4.7933% (0.22 0.02 0.02) = 4.793% kept HB3 ASN 89 - QG2 VAL 62 11.111% * 1.0539% (0.05 0.02 0.02) = 1.054% kept HB3 ASN 89 - QG2 VAL 73 11.111% * 0.9312% (0.04 0.02 0.02) = 0.931% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 140 (2.48, 0.73, 22.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 142 (2.46, 0.96, 22.04 ppm): 10 chemical-shift based assignments, quality = 0.118, support = 0.86, residual support = 1.41: HG3 GLU- 45 - QG2 VAL 73 10.000% * 48.8881% (0.14 1.10 2.08) = 48.888% kept HG3 GLU- 45 - QG2 VAL 62 10.000% * 33.7753% (0.12 0.86 1.13) = 33.775% kept HB3 PRO 35 - QG2 VAL 73 10.000% * 4.5921% (0.07 0.20 0.14) = 4.592% kept HA1 GLY 58 - QG2 VAL 62 10.000% * 4.5891% (0.10 0.14 0.02) = 4.589% kept HB3 PRO 35 - QG2 VAL 62 10.000% * 3.1031% (0.06 0.15 0.02) = 3.103% kept HG3 PRO 35 - QG2 VAL 73 10.000% * 2.3618% (0.02 0.34 0.14) = 2.362% kept HG3 PRO 35 - QG2 VAL 62 10.000% * 1.5697% (0.02 0.26 0.02) = 1.570% kept HA1 GLY 58 - QG2 VAL 73 10.000% * 0.7478% (0.11 0.02 0.02) = 0.748% HB VAL 40 - QG2 VAL 73 10.000% * 0.1980% (0.03 0.02 0.02) = 0.198% HB VAL 40 - QG2 VAL 62 10.000% * 0.1750% (0.03 0.02 0.02) = 0.175% Not enough quality. Peak unassigned. Peak 143 (2.23, 4.28, 63.44 ppm): 15 chemical-shift based assignments, quality = 0.0654, support = 1.19, residual support = 3.1: HB2 GLU- 50 - HB3 SER 49 6.667% * 46.0236% (0.07 1.86 5.55) = 46.024% kept HG3 GLN 102 - HB3 SER 49 6.667% * 26.2225% (0.08 0.92 0.60) = 26.222% kept HG2 GLU- 64 - HB3 SER 49 6.667% * 11.6015% (0.07 0.47 2.10) = 11.602% kept HG3 GLU- 64 - HB3 SER 49 6.667% * 6.9069% (0.04 0.46 2.10) = 6.907% kept HG3 GLU- 18 - HB3 SER 49 6.667% * 2.4112% (0.07 0.09 0.02) = 2.411% kept HA1 GLY 58 - HB3 SER 49 6.667% * 2.1146% (0.03 0.18 0.02) = 2.115% kept HB3 ASN 15 - HB3 SER 49 6.667% * 1.6585% (0.04 0.11 0.02) = 1.658% kept HB3 PRO 52 - HB3 SER 49 6.667% * 0.5930% (0.08 0.02 0.02) = 0.593% HB3 PRO 35 - HB3 SER 49 6.667% * 0.4997% (0.07 0.02 0.02) = 0.500% HG3 GLU- 56 - HB3 SER 49 6.667% * 0.4532% (0.06 0.02 0.02) = 0.453% HG3 MET 97 - HB3 SER 49 6.667% * 0.4306% (0.06 0.02 0.02) = 0.431% HG3 GLU- 10 - HB3 SER 49 6.667% * 0.4073% (0.06 0.02 0.02) = 0.407% HG2 GLU- 56 - HB3 SER 49 6.667% * 0.3836% (0.05 0.02 0.02) = 0.384% HG3 GLN 16 - HB3 SER 49 6.667% * 0.2023% (0.03 0.02 0.02) = 0.202% HG3 GLU- 107 - HB3 SER 49 6.667% * 0.0915% (0.01 0.02 0.02) = 0.091% Not enough quality. Peak unassigned. Peak 144 (2.04, 0.95, 22.08 ppm): 24 chemical-shift based assignments, quality = 0.131, support = 1.08, residual support = 6.65: O T HB VAL 62 - QG2 VAL 62 4.167% * 23.2902% (0.04 10.0 10.00 2.17 26.40) = 23.290% kept T HB3 GLU- 75 - QG2 VAL 62 4.167% * 19.4057% (0.14 1.0 10.00 0.46 0.12) = 19.406% kept T HB3 GLU- 75 - QG2 VAL 73 4.167% * 14.8688% (0.15 1.0 10.00 0.33 0.02) = 14.869% kept HB3 GLU- 45 - QG2 VAL 62 4.167% * 8.6830% (0.16 1.0 1.00 1.80 1.13) = 8.683% kept HB2 GLU- 45 - QG2 VAL 73 4.167% * 7.4744% (0.20 1.0 1.00 1.27 2.08) = 7.474% kept HB3 GLU- 45 - QG2 VAL 73 4.167% * 7.2547% (0.17 1.0 1.00 1.42 2.08) = 7.255% kept HB2 GLU- 45 - QG2 VAL 62 4.167% * 5.7009% (0.19 1.0 1.00 1.03 1.13) = 5.701% kept T HG3 PRO 86 - QG2 VAL 62 4.167% * 5.0146% (0.22 1.0 10.00 0.08 0.02) = 5.015% kept T HB3 PRO 35 - QG2 VAL 73 4.167% * 1.9693% (0.03 1.0 10.00 0.20 0.14) = 1.969% kept HB3 PRO 31 - QG2 VAL 62 4.167% * 1.6263% (0.11 1.0 1.00 0.50 0.02) = 1.626% kept T HB3 PRO 35 - QG2 VAL 62 4.167% * 1.4236% (0.03 1.0 10.00 0.15 0.02) = 1.424% kept T HG3 PRO 86 - QG2 VAL 73 4.167% * 1.3944% (0.24 1.0 10.00 0.02 0.02) = 1.394% kept HB3 GLU- 54 - QG2 VAL 62 4.167% * 1.0206% (0.16 1.0 1.00 0.22 0.02) = 1.021% kept T HB VAL 62 - QG2 VAL 73 4.167% * 0.2464% (0.04 1.0 10.00 0.02 0.02) = 0.246% HA1 GLY 58 - QG2 VAL 62 4.167% * 0.1275% (0.03 1.0 1.00 0.14 0.02) = 0.128% HB3 GLU- 54 - QG2 VAL 73 4.167% * 0.0966% (0.16 1.0 1.00 0.02 0.02) = 0.097% HB3 GLU- 10 - QG2 VAL 73 4.167% * 0.0796% (0.14 1.0 1.00 0.02 0.02) = 0.080% HB3 GLU- 10 - QG2 VAL 62 4.167% * 0.0753% (0.13 1.0 1.00 0.02 0.02) = 0.075% HB3 PRO 31 - QG2 VAL 73 4.167% * 0.0685% (0.12 1.0 1.00 0.02 0.02) = 0.068% HB3 GLU- 107 - QG2 VAL 73 4.167% * 0.0434% (0.07 1.0 1.00 0.02 0.02) = 0.043% HB3 GLU- 107 - QG2 VAL 62 4.167% * 0.0410% (0.07 1.0 1.00 0.02 0.02) = 0.041% HG3 GLU- 64 - QG2 VAL 73 4.167% * 0.0389% (0.07 1.0 1.00 0.02 0.02) = 0.039% HG3 GLU- 64 - QG2 VAL 62 4.167% * 0.0368% (0.06 1.0 1.00 0.02 3.30) = 0.037% HA1 GLY 58 - QG2 VAL 73 4.167% * 0.0194% (0.03 1.0 1.00 0.02 0.02) = 0.019% Peak 145 (1.66, 4.28, 63.54 ppm): 8 chemical-shift based assignments, quality = 0.0532, support = 0.974, residual support = 1.32: HB ILE 100 - HB3 SER 49 12.500% * 55.1722% (0.06 1.38 2.09) = 55.172% kept HB3 LYS+ 66 - HB3 SER 49 12.500% * 25.0224% (0.06 0.62 0.64) = 25.022% kept HB3 LYS+ 81 - HB3 SER 49 12.500% * 10.9848% (0.04 0.36 0.02) = 10.985% kept HG3 ARG+ 84 - HB3 SER 49 12.500% * 6.9819% (0.05 0.22 0.02) = 6.982% kept HB3 MET 97 - HB3 SER 49 12.500% * 0.7608% (0.05 0.02 0.02) = 0.761% HB3 ARG+ 22 - HB3 SER 49 12.500% * 0.5525% (0.04 0.02 0.02) = 0.552% HD3 LYS+ 55 - HB3 SER 49 12.500% * 0.3018% (0.02 0.02 0.02) = 0.302% HG13 ILE 19 - HB3 SER 49 12.500% * 0.2236% (0.02 0.02 0.02) = 0.224% Not enough quality. Peak unassigned. Peak 147 (1.19, -0.03, 22.24 ppm): 5 chemical-shift based assignments, quality = 0.72, support = 4.61, residual support = 103.0: O HB2 LEU 74 - QD1 LEU 74 20.000% * 94.7280% (0.75 10.0 4.67 107.93) = 94.728% kept HB2 LEU 67 - QD1 LEU 74 20.000% * 5.1405% (0.22 1.0 3.64 14.85) = 5.140% kept QG2 THR 106 - QD1 LEU 74 20.000% * 0.0597% (0.47 1.0 0.02 0.02) = 0.060% HB2 LEU 43 - QD1 LEU 74 20.000% * 0.0466% (0.37 1.0 0.02 0.02) = 0.047% HG3 PRO 59 - QD1 LEU 74 20.000% * 0.0252% (0.20 1.0 0.02 0.02) = 0.025% Peak 150 (0.90, -0.03, 22.25 ppm): 7 chemical-shift based assignments, quality = 0.795, support = 2.21, residual support = 7.55: QD1 LEU 67 - QD1 LEU 74 14.286% * 48.7268% (0.89 3.35 14.85) = 48.727% kept QG1 VAL 80 - QD1 LEU 74 14.286% * 13.6394% (0.73 1.15 0.58) = 13.639% kept QG2 VAL 87 - QD1 LEU 74 14.286% * 9.8204% (0.91 0.66 0.02) = 9.820% kept HG12 ILE 68 - QD1 LEU 74 14.286% * 9.2817% (0.20 2.81 2.28) = 9.282% kept QG1 VAL 47 - QD1 LEU 74 14.286% * 7.9942% (0.91 0.54 0.02) = 7.994% kept QG2 VAL 40 - QD1 LEU 74 14.286% * 7.7126% (0.91 0.52 0.02) = 7.713% kept QG2 VAL 80 - QD1 LEU 74 14.286% * 2.8249% (0.34 0.51 0.58) = 2.825% kept Peak 154 (0.12, 0.90, 22.11 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 3.73, residual support = 74.2: O T QG2 VAL 47 - QG1 VAL 47 100.000% *100.0000% (0.98 10.0 10.00 3.73 74.16) = 100.000% kept Peak 155 (-0.03, 0.72, 22.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 157 (8.96, 0.70, 21.70 ppm): 12 chemical-shift based assignments, quality = 0.502, support = 1.84, residual support = 6.6: HN MET 97 - QG2 THR 96 8.333% * 18.6116% (0.55 2.23 4.30) = 18.612% kept HN THR 96 - QG2 THR 96 8.333% * 17.2209% (0.31 3.61 23.67) = 17.221% kept HN LEU 17 - QG2 VAL 94 8.333% * 17.2044% (0.73 1.56 8.81) = 17.204% kept HN ILE 19 - QG2 VAL 94 8.333% * 13.6965% (0.54 1.68 0.17) = 13.697% kept HN THR 96 - QG2 VAL 94 8.333% * 10.2748% (0.42 1.61 0.63) = 10.275% kept HN ARG+ 22 - QG2 VAL 94 8.333% * 5.0579% (0.48 0.69 0.02) = 5.058% kept HN ILE 19 - QG2 THR 96 8.333% * 4.6516% (0.40 0.76 2.53) = 4.652% kept HN PHE 21 - QG2 VAL 94 8.333% * 3.9602% (0.33 0.79 0.02) = 3.960% kept HN MET 97 - QG2 VAL 94 8.333% * 3.0171% (0.74 0.27 0.02) = 3.017% kept HN PHE 21 - QG2 THR 96 8.333% * 2.3834% (0.25 0.63 0.02) = 2.383% kept HN LEU 17 - QG2 THR 96 8.333% * 2.2708% (0.54 0.28 0.02) = 2.271% kept HN ARG+ 22 - QG2 THR 96 8.333% * 1.6507% (0.36 0.30 0.02) = 1.651% kept Peak 158 (8.78, 1.11, 21.74 ppm): 12 chemical-shift based assignments, quality = 0.162, support = 4.36, residual support = 22.3: HN THR 95 - QG2 THR 95 8.333% * 50.0302% (0.18 4.98 30.62) = 50.030% kept HN VAL 62 - QG2 THR 61 8.333% * 38.7583% (0.14 4.71 18.05) = 38.758% kept HN PHE 34 - QG2 THR 61 8.333% * 6.4780% (0.22 0.52 0.02) = 6.478% kept HN SER 69 - QG2 THR 95 8.333% * 1.8976% (0.16 0.21 0.02) = 1.898% kept HN VAL 62 - QG2 THR 79 8.333% * 1.4510% (0.05 0.49 0.02) = 1.451% kept HN THR 95 - QG2 THR 61 8.333% * 0.4295% (0.38 0.02 0.02) = 0.430% HN SER 69 - QG2 THR 61 8.333% * 0.3801% (0.33 0.02 0.02) = 0.380% HN THR 95 - QG2 THR 79 8.333% * 0.1552% (0.14 0.02 0.02) = 0.155% HN SER 69 - QG2 THR 79 8.333% * 0.1374% (0.12 0.02 0.02) = 0.137% HN PHE 34 - QG2 THR 95 8.333% * 0.1160% (0.10 0.02 0.02) = 0.116% HN PHE 34 - QG2 THR 79 8.333% * 0.0897% (0.08 0.02 0.02) = 0.090% HN VAL 62 - QG2 THR 95 8.333% * 0.0769% (0.07 0.02 0.02) = 0.077% Peak 159 (8.79, 0.69, 21.70 ppm): 8 chemical-shift based assignments, quality = 0.732, support = 4.03, residual support = 18.8: HN THR 95 - QG2 VAL 94 12.500% * 75.2004% (0.82 4.57 20.34) = 75.200% kept HN THR 95 - QG2 THR 96 12.500% * 18.3649% (0.29 3.13 19.27) = 18.365% kept HN SER 69 - QG2 VAL 94 12.500% * 6.0998% (0.95 0.32 0.02) = 6.100% kept HN SER 69 - QG2 THR 96 12.500% * 0.1355% (0.34 0.02 0.02) = 0.135% HN ASN 57 - QG2 VAL 94 12.500% * 0.0780% (0.20 0.02 0.02) = 0.078% HN PHE 34 - QG2 VAL 94 12.500% * 0.0690% (0.17 0.02 0.02) = 0.069% HN ASN 57 - QG2 THR 96 12.500% * 0.0278% (0.07 0.02 0.02) = 0.028% HN PHE 34 - QG2 THR 96 12.500% * 0.0246% (0.06 0.02 0.02) = 0.025% Peak 160 (8.61, 0.68, 21.70 ppm): 8 chemical-shift based assignments, quality = 0.585, support = 1.72, residual support = 2.13: HN LYS+ 20 - QG2 VAL 94 12.500% * 65.3355% (0.78 1.62 2.45) = 65.335% kept HN LYS+ 20 - QG2 THR 96 12.500% * 28.4153% (0.24 2.27 1.55) = 28.415% kept HN SER 85 - QG2 THR 96 12.500% * 3.2842% (0.11 0.56 2.81) = 3.284% kept HN SER 85 - QG2 VAL 94 12.500% * 1.5052% (0.36 0.08 0.02) = 1.505% kept HN VAL 80 - QG2 VAL 94 12.500% * 0.8836% (0.19 0.09 0.02) = 0.884% HN THR 39 - QG2 THR 96 12.500% * 0.2899% (0.07 0.08 0.02) = 0.290% HN THR 39 - QG2 VAL 94 12.500% * 0.2243% (0.22 0.02 0.19) = 0.224% HN VAL 80 - QG2 THR 96 12.500% * 0.0618% (0.06 0.02 0.02) = 0.062% Peak 161 (8.27, 1.17, 21.82 ppm): 5 chemical-shift based assignments, quality = 0.621, support = 1.95, residual support = 10.0: HN THR 106 - QG2 THR 106 20.000% * 58.3428% (0.48 2.64 16.80) = 58.343% kept HN GLN 16 - QG2 THR 106 20.000% * 40.0673% (0.85 1.02 0.52) = 40.067% kept HN ASN 89 - QG2 THR 106 20.000% * 0.8592% (0.93 0.02 0.02) = 0.859% HN ASP- 28 - QG2 THR 106 20.000% * 0.5509% (0.60 0.02 0.02) = 0.551% HN ALA 91 - QG2 THR 106 20.000% * 0.1798% (0.19 0.02 0.02) = 0.180% Peak 162 (7.99, -0.11, 21.90 ppm): 2 chemical-shift based assignments, quality = 0.945, support = 7.09, residual support = 147.7: HN LEU 43 - QD1 LEU 43 50.000% * 99.7183% (0.95 7.11 148.16) = 99.718% kept HN SER 27 - QD1 LEU 43 50.000% * 0.2817% (0.22 0.09 0.02) = 0.282% Peak 163 (7.80, 1.32, 21.76 ppm): 5 chemical-shift based assignments, quality = 0.709, support = 3.04, residual support = 13.1: HN THR 46 - QG2 THR 46 20.000% * 62.8086% (0.65 4.21 20.50) = 62.809% kept HN LYS+ 55 - QG2 THR 46 20.000% * 25.8259% (0.80 1.40 0.85) = 25.826% kept HN ALA 93 - QG2 THR 46 20.000% * 6.2450% (1.00 0.27 0.02) = 6.245% kept HN VAL 87 - QG2 THR 46 20.000% * 5.0397% (0.69 0.32 0.02) = 5.040% kept HN LYS+ 63 - QG2 THR 46 20.000% * 0.0808% (0.17 0.02 0.02) = 0.081% Peak 164 (7.44, 1.12, 21.77 ppm): 3 chemical-shift based assignments, quality = 0.312, support = 3.43, residual support = 19.4: HN THR 61 - QG2 THR 61 33.333% * 95.7046% (0.32 3.56 20.22) = 95.705% kept HN THR 61 - QG2 THR 79 33.333% * 4.1885% (0.11 0.44 0.48) = 4.188% kept HN THR 61 - QG2 THR 95 33.333% * 0.1069% (0.06 0.02 0.02) = 0.107% Peak 165 (7.34, 1.32, 21.79 ppm): 7 chemical-shift based assignments, quality = 0.653, support = 2.59, residual support = 7.26: HZ PHE 34 - QG2 THR 46 14.286% * 26.3417% (0.89 1.99 5.18) = 26.342% kept HN VAL 47 - QG2 THR 46 14.286% * 24.3682% (0.37 4.39 15.34) = 24.368% kept QE PHE 34 - QG2 THR 46 14.286% * 22.2658% (0.89 1.68 5.18) = 22.266% kept QD PHE 34 - QG2 THR 46 14.286% * 19.4901% (0.44 2.94 5.18) = 19.490% kept HZ2 TRP 51 - QG2 THR 46 14.286% * 3.8810% (0.89 0.29 0.02) = 3.881% kept HE22 GLN 102 - QG2 THR 46 14.286% * 3.5523% (0.25 0.96 0.02) = 3.552% kept HN ARG+ 84 - QG2 THR 46 14.286% * 0.1008% (0.34 0.02 0.02) = 0.101% Peak 166 (7.34, -0.11, 21.86 ppm): 7 chemical-shift based assignments, quality = 0.846, support = 2.68, residual support = 9.13: QE PHE 34 - QD1 LEU 43 14.286% * 34.6561% (0.96 2.75 9.80) = 34.656% kept HZ PHE 34 - QD1 LEU 43 14.286% * 32.2324% (0.96 2.56 9.80) = 32.232% kept QD PHE 34 - QD1 LEU 43 14.286% * 26.2455% (0.59 3.36 9.80) = 26.245% kept HZ2 TRP 51 - QD1 LEU 43 14.286% * 3.3750% (0.96 0.27 0.02) = 3.375% kept HN VAL 47 - QD1 LEU 43 14.286% * 2.8704% (0.52 0.42 0.25) = 2.870% kept HN ARG+ 84 - QD1 LEU 43 14.286% * 0.5810% (0.48 0.09 0.02) = 0.581% HE22 GLN 102 - QD1 LEU 43 14.286% * 0.0397% (0.15 0.02 0.02) = 0.040% Peak 167 (7.05, 1.32, 21.79 ppm): 2 chemical-shift based assignments, quality = 0.858, support = 2.5, residual support = 6.55: T QE PHE 21 - QG2 THR 46 50.000% * 99.8967% (0.86 10.00 2.50 6.55) = 99.897% kept QD TYR 83 - QG2 THR 46 50.000% * 0.1033% (0.89 1.00 0.02 0.02) = 0.103% Peak 168 (7.04, -0.10, 21.91 ppm): 2 chemical-shift based assignments, quality = 0.935, support = 2.08, residual support = 10.6: QE PHE 21 - QD1 LEU 43 50.000% * 90.7198% (0.97 2.26 11.70) = 90.720% kept QD TYR 83 - QD1 LEU 43 50.000% * 9.2802% (0.59 0.38 0.22) = 9.280% kept Peak 169 (6.87, -0.11, 21.86 ppm): 3 chemical-shift based assignments, quality = 0.591, support = 2.66, residual support = 11.1: HZ PHE 21 - QD1 LEU 43 33.333% * 52.1239% (0.67 2.77 11.70) = 52.124% kept QD PHE 21 - QD1 LEU 43 33.333% * 42.6699% (0.55 2.75 11.70) = 42.670% kept HD22 ASN 15 - QD1 LEU 43 33.333% * 5.2062% (0.19 0.96 0.39) = 5.206% kept Peak 170 (4.84, 0.70, 21.72 ppm): 4 chemical-shift based assignments, quality = 0.426, support = 2.85, residual support = 21.0: O HA THR 96 - QG2 THR 96 25.000% * 88.3383% (0.40 10.0 3.04 23.67) = 88.338% kept HA THR 96 - QG2 VAL 94 25.000% * 11.0658% (0.65 1.0 1.54 0.63) = 11.066% kept HB THR 39 - QG2 VAL 94 25.000% * 0.5750% (0.15 1.0 0.34 0.19) = 0.575% HB THR 39 - QG2 THR 96 25.000% * 0.0209% (0.09 1.0 0.02 0.02) = 0.021% Peak 171 (4.79, 1.17, 21.81 ppm): 3 chemical-shift based assignments, quality = 0.647, support = 1.24, residual support = 1.28: HA ASN 15 - QG2 THR 106 33.333% * 89.7820% (0.63 1.37 1.42) = 89.782% kept HA LEU 23 - QG2 THR 106 33.333% * 9.4554% (0.82 0.11 0.02) = 9.455% kept HB THR 39 - QG2 THR 106 33.333% * 0.7626% (0.37 0.02 0.02) = 0.763% Peak 172 (4.72, 1.11, 21.83 ppm): 18 chemical-shift based assignments, quality = 0.183, support = 2.67, residual support = 15.2: O HA THR 61 - QG2 THR 61 5.556% * 64.4031% (0.14 10.0 3.10 20.22) = 64.403% kept HA LYS+ 20 - QG2 THR 79 5.556% * 13.9368% (0.29 1.0 2.18 2.67) = 13.937% kept HA THR 39 - QG2 THR 79 5.556% * 12.7571% (0.24 1.0 2.39 13.85) = 12.757% kept HA2 GLY 30 - QG2 THR 79 5.556% * 5.0726% (0.26 1.0 0.88 0.14) = 5.073% kept HA THR 61 - QG2 THR 79 5.556% * 3.2323% (0.20 1.0 0.74 0.48) = 3.232% kept HA LYS+ 20 - QG2 THR 61 5.556% * 0.0935% (0.21 1.0 0.02 0.02) = 0.094% HA2 GLY 30 - QG2 THR 61 5.556% * 0.0841% (0.19 1.0 0.02 0.02) = 0.084% HA THR 39 - QG2 THR 61 5.556% * 0.0783% (0.18 1.0 0.02 0.02) = 0.078% HA VAL 99 - QG2 THR 79 5.556% * 0.0673% (0.15 1.0 0.02 0.02) = 0.067% HA VAL 99 - QG2 THR 61 5.556% * 0.0493% (0.11 1.0 0.02 0.02) = 0.049% HA GLN 16 - QG2 THR 79 5.556% * 0.0480% (0.11 1.0 0.02 0.02) = 0.048% HA GLN 16 - QG2 THR 61 5.556% * 0.0352% (0.08 1.0 0.02 0.02) = 0.035% HA LYS+ 20 - QG2 THR 95 5.556% * 0.0329% (0.07 1.0 0.02 0.02) = 0.033% HA2 GLY 30 - QG2 THR 95 5.556% * 0.0296% (0.07 1.0 0.02 0.02) = 0.030% HA THR 39 - QG2 THR 95 5.556% * 0.0275% (0.06 1.0 0.02 0.02) = 0.028% HA THR 61 - QG2 THR 95 5.556% * 0.0227% (0.05 1.0 0.02 0.02) = 0.023% HA VAL 99 - QG2 THR 95 5.556% * 0.0173% (0.04 1.0 0.02 0.02) = 0.017% HA GLN 16 - QG2 THR 95 5.556% * 0.0124% (0.03 1.0 0.02 0.52) = 0.012% Peak 173 (4.52, 1.32, 21.79 ppm): 5 chemical-shift based assignments, quality = 0.972, support = 2.76, residual support = 19.8: O HB THR 46 - QG2 THR 46 20.000% * 96.4683% (0.99 10.0 2.81 20.50) = 96.468% kept HA ALA 103 - QG2 THR 46 20.000% * 3.4380% (0.52 1.0 1.35 0.40) = 3.438% kept HB THR 79 - QG2 THR 46 20.000% * 0.0547% (0.56 1.0 0.02 0.02) = 0.055% HA SER 77 - QG2 THR 46 20.000% * 0.0241% (0.25 1.0 0.02 0.02) = 0.024% HA LEU 17 - QG2 THR 46 20.000% * 0.0149% (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 = 0.265, support = 2.9, residual support = 14.5: O T HB THR 61 - QG2 THR 61 3.704% * 63.8557% (0.30 10.0 10.00 3.60 20.22) = 63.856% kept T HB THR 61 - QG2 THR 79 3.704% * 23.5543% (0.20 1.0 10.00 1.09 0.48) = 23.554% kept HA LYS+ 60 - QG2 THR 61 3.704% * 10.0028% (0.27 1.0 1.00 3.39 14.63) = 10.003% kept HA LYS+ 60 - QG2 THR 79 3.704% * 1.0104% (0.19 1.0 1.00 0.50 0.02) = 1.010% kept T HA ALA 37 - QG2 THR 61 3.704% * 0.5346% (0.25 1.0 10.00 0.02 0.02) = 0.535% T HA ALA 37 - QG2 THR 79 3.704% * 0.3622% (0.17 1.0 10.00 0.02 0.02) = 0.362% T HA ALA 37 - QG2 THR 95 3.704% * 0.1555% (0.07 1.0 10.00 0.02 0.02) = 0.155% HA2 GLY 26 - QG2 THR 61 3.704% * 0.0618% (0.29 1.0 1.00 0.02 0.02) = 0.062% HA TRP 51 - QG2 THR 61 3.704% * 0.0605% (0.28 1.0 1.00 0.02 0.02) = 0.061% HA SER 27 - QG2 THR 61 3.704% * 0.0512% (0.24 1.0 1.00 0.02 0.02) = 0.051% HA2 GLY 26 - QG2 THR 79 3.704% * 0.0418% (0.19 1.0 1.00 0.02 0.02) = 0.042% HA TRP 51 - QG2 THR 79 3.704% * 0.0410% (0.19 1.0 1.00 0.02 0.02) = 0.041% HA ALA 91 - QG2 THR 61 3.704% * 0.0362% (0.17 1.0 1.00 0.02 0.02) = 0.036% HA SER 27 - QG2 THR 79 3.704% * 0.0347% (0.16 1.0 1.00 0.02 0.02) = 0.035% HA SER 88 - QG2 THR 61 3.704% * 0.0287% (0.13 1.0 1.00 0.02 0.02) = 0.029% HA ALA 91 - QG2 THR 79 3.704% * 0.0245% (0.11 1.0 1.00 0.02 0.02) = 0.025% HA SER 88 - QG2 THR 79 3.704% * 0.0194% (0.09 1.0 1.00 0.02 0.02) = 0.019% HB THR 61 - QG2 THR 95 3.704% * 0.0186% (0.09 1.0 1.00 0.02 0.02) = 0.019% HA2 GLY 26 - QG2 THR 95 3.704% * 0.0180% (0.08 1.0 1.00 0.02 0.02) = 0.018% HA TRP 51 - QG2 THR 95 3.704% * 0.0176% (0.08 1.0 1.00 0.02 0.02) = 0.018% HA LYS+ 60 - QG2 THR 95 3.704% * 0.0172% (0.08 1.0 1.00 0.02 0.02) = 0.017% HA SER 27 - QG2 THR 95 3.704% * 0.0149% (0.07 1.0 1.00 0.02 0.02) = 0.015% HA ALA 91 - QG2 THR 95 3.704% * 0.0105% (0.05 1.0 1.00 0.02 0.02) = 0.011% HA ASN 57 - QG2 THR 61 3.704% * 0.0099% (0.05 1.0 1.00 0.02 0.02) = 0.010% HA SER 88 - QG2 THR 95 3.704% * 0.0083% (0.04 1.0 1.00 0.02 0.02) = 0.008% HA ASN 57 - QG2 THR 79 3.704% * 0.0067% (0.03 1.0 1.00 0.02 0.02) = 0.007% HA ASN 57 - QG2 THR 95 3.704% * 0.0029% (0.01 1.0 1.00 0.02 0.02) = 0.003% Peak 184 (4.31, 1.17, 21.82 ppm): 4 chemical-shift based assignments, quality = 0.324, support = 2.33, residual support = 16.2: O T HA THR 106 - QG2 THR 106 25.000% * 96.4503% (0.30 10.0 10.00 2.41 16.80) = 96.450% kept T HA ILE 29 - QG2 THR 106 25.000% * 3.0631% (0.97 1.0 10.00 0.02 0.02) = 3.063% kept HA ALA 93 - QG2 THR 106 25.000% * 0.3097% (0.98 1.0 1.00 0.02 0.02) = 0.310% HA ASP- 36 - QG2 THR 106 25.000% * 0.1769% (0.56 1.0 1.00 0.02 0.02) = 0.177% Peak 186 (4.17, 1.17, 21.83 ppm): 6 chemical-shift based assignments, quality = 0.895, support = 1.8, residual support = 15.3: O T HB THR 106 - QG2 THR 106 16.667% * 88.4185% (0.90 10.0 10.00 1.70 16.80) = 88.419% kept HA VAL 105 - QG2 THR 106 16.667% * 11.3380% (0.90 1.0 1.00 2.56 3.57) = 11.338% kept HB3 SER 49 - QG2 THR 106 16.667% * 0.0913% (0.93 1.0 1.00 0.02 0.46) = 0.091% HA VAL 73 - QG2 THR 106 16.667% * 0.0767% (0.78 1.0 1.00 0.02 0.02) = 0.077% HA VAL 87 - QG2 THR 106 16.667% * 0.0542% (0.55 1.0 1.00 0.02 0.02) = 0.054% HB2 SER 88 - QG2 THR 106 16.667% * 0.0213% (0.22 1.0 1.00 0.02 0.02) = 0.021% Peak 187 (4.11, 1.32, 21.78 ppm): 8 chemical-shift based assignments, quality = 0.986, support = 2.69, residual support = 19.9: O T HA THR 46 - QG2 THR 46 12.500% * 97.0856% (0.99 10.0 10.00 2.76 20.50) = 97.086% kept HA ALA 70 - QG2 THR 46 12.500% * 1.6603% (0.86 1.0 1.00 0.39 0.02) = 1.660% kept HB3 SER 49 - QG2 THR 46 12.500% * 1.0256% (0.85 1.0 1.00 0.25 0.02) = 1.026% kept HA LYS+ 63 - QG2 THR 46 12.500% * 0.0813% (0.83 1.0 1.00 0.02 0.02) = 0.081% HA ARG+ 53 - QG2 THR 46 12.500% * 0.0474% (0.48 1.0 1.00 0.02 0.02) = 0.047% HA THR 24 - QG2 THR 46 12.500% * 0.0474% (0.48 1.0 1.00 0.02 0.02) = 0.047% HD2 PRO 59 - QG2 THR 46 12.500% * 0.0332% (0.34 1.0 1.00 0.02 0.02) = 0.033% HA2 GLY 71 - QG2 THR 46 12.500% * 0.0193% (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): 6 chemical-shift based assignments, quality = 0.552, support = 1.83, residual support = 16.6: O T HB THR 96 - QG2 THR 96 16.667% * 69.4594% (0.52 10.0 10.00 2.33 23.67) = 69.459% kept T HB THR 96 - QG2 VAL 94 16.667% * 30.0498% (0.64 1.0 10.00 0.70 0.63) = 30.050% kept T HA LEU 74 - QG2 THR 96 16.667% * 0.3687% (0.27 1.0 10.00 0.02 0.02) = 0.369% HA LEU 74 - QG2 VAL 94 16.667% * 0.0457% (0.34 1.0 1.00 0.02 0.02) = 0.046% HB2 SER 77 - QG2 VAL 94 16.667% * 0.0423% (0.31 1.0 1.00 0.02 0.02) = 0.042% HB2 SER 77 - QG2 THR 96 16.667% * 0.0341% (0.25 1.0 1.00 0.02 0.02) = 0.034% Peak 196 (3.73, -0.11, 21.88 ppm): 3 chemical-shift based assignments, quality = 0.922, support = 4.4, residual support = 144.9: T HA LEU 43 - QD1 LEU 43 33.333% * 97.7912% (0.94 10.00 4.46 148.16) = 97.791% kept HB3 SER 69 - QD1 LEU 43 33.333% * 2.1352% (0.22 1.00 1.89 1.96) = 2.135% 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): 11 chemical-shift based assignments, quality = 0.955, support = 5.3, residual support = 139.7: O T HB3 LEU 43 - QD1 LEU 43 9.091% * 94.2548% (0.99 10.0 10.00 5.54 148.16) = 94.255% kept HB3 PRO 35 - QD1 LEU 43 9.091% * 3.4018% (0.34 1.0 1.00 2.07 0.02) = 3.402% kept HB VAL 87 - QD1 LEU 43 9.091% * 1.4955% (0.94 1.0 1.00 0.33 0.02) = 1.496% kept HA1 GLY 58 - QD1 LEU 43 9.091% * 0.4203% (0.21 1.0 1.00 0.41 0.02) = 0.420% HB3 GLU- 75 - QD1 LEU 43 9.091% * 0.0909% (0.95 1.0 1.00 0.02 0.02) = 0.091% HG3 GLU- 64 - QD1 LEU 43 9.091% * 0.0808% (0.85 1.0 1.00 0.02 0.02) = 0.081% HB VAL 65 - QD1 LEU 43 9.091% * 0.0686% (0.72 1.0 1.00 0.02 0.02) = 0.069% HB VAL 105 - QD1 LEU 43 9.091% * 0.0686% (0.72 1.0 1.00 0.02 0.02) = 0.069% HG2 GLU- 45 - QD1 LEU 43 9.091% * 0.0497% (0.52 1.0 1.00 0.02 0.02) = 0.050% HG2 GLU- 64 - QD1 LEU 43 9.091% * 0.0455% (0.48 1.0 1.00 0.02 0.02) = 0.045% HB2 ASP- 28 - QD1 LEU 43 9.091% * 0.0236% (0.25 1.0 1.00 0.02 0.02) = 0.024% Peak 214 (1.62, -0.11, 21.89 ppm): 7 chemical-shift based assignments, quality = 0.804, support = 4.91, residual support = 137.8: O T HG LEU 43 - QD1 LEU 43 14.286% * 92.9315% (0.81 10.0 10.00 5.22 148.16) = 92.931% kept HB ILE 68 - QD1 LEU 43 14.286% * 5.0993% (0.81 1.0 1.00 1.10 1.23) = 5.099% kept HG12 ILE 101 - QD1 LEU 43 14.286% * 1.4057% (0.78 1.0 1.00 0.32 0.02) = 1.406% kept HD3 LYS+ 32 - QD1 LEU 43 14.286% * 0.3530% (0.59 1.0 1.00 0.10 0.02) = 0.353% HG3 LYS+ 78 - QD1 LEU 43 14.286% * 0.1103% (0.96 1.0 1.00 0.02 0.02) = 0.110% HG LEU 23 - QD1 LEU 43 14.286% * 0.0808% (0.70 1.0 1.00 0.02 0.02) = 0.081% HB3 LYS+ 32 - QD1 LEU 43 14.286% * 0.0195% (0.17 1.0 1.00 0.02 0.02) = 0.019% Peak 224 (1.42, -0.11, 21.88 ppm): 10 chemical-shift based assignments, quality = 0.896, support = 2.28, residual support = 9.74: HD3 LYS+ 44 - QD1 LEU 43 10.000% * 62.4778% (0.98 3.23 14.75) = 62.478% kept QG2 THR 38 - QD1 LEU 43 10.000% * 16.6589% (0.93 0.91 1.21) = 16.659% kept QB ALA 91 - QD1 LEU 43 10.000% * 6.7872% (0.96 0.36 0.02) = 6.787% kept HG LEU 67 - QD1 LEU 43 10.000% * 6.4614% (0.56 0.59 4.82) = 6.461% kept HD3 LYS+ 20 - QD1 LEU 43 10.000% * 4.3594% (0.22 1.01 0.17) = 4.359% kept QB ALA 37 - QD1 LEU 43 10.000% * 2.3210% (0.75 0.16 0.02) = 2.321% kept HG3 LYS+ 55 - QD1 LEU 43 10.000% * 0.3233% (0.82 0.02 0.02) = 0.323% HG LEU 90 - QD1 LEU 43 10.000% * 0.2036% (0.52 0.02 0.02) = 0.204% HG13 ILE 100 - QD1 LEU 43 10.000% * 0.2036% (0.52 0.02 0.02) = 0.204% QB ALA 93 - QD1 LEU 43 10.000% * 0.2036% (0.52 0.02 0.02) = 0.204% 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 = 0.891, support = 5.66, residual support = 142.9: O T HB2 LEU 43 - QD1 LEU 43 16.667% * 96.4511% (0.91 10.0 10.00 5.84 148.16) = 96.451% kept QB ALA 33 - QD1 LEU 43 16.667% * 2.7913% (0.60 1.0 1.00 0.88 0.02) = 2.791% kept T HB2 LEU 74 - QD1 LEU 43 16.667% * 0.5497% (0.52 1.0 10.00 0.02 0.02) = 0.550% HG3 PRO 59 - QD1 LEU 43 16.667% * 0.1045% (0.98 1.0 1.00 0.02 0.02) = 0.104% QG2 THR 106 - QD1 LEU 43 16.667% * 0.0873% (0.82 1.0 1.00 0.02 0.02) = 0.087% HG3 LYS+ 32 - QD1 LEU 43 16.667% * 0.0161% (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 0.30 Peak unassigned. Peak 260 (0.92, -0.11, 21.79 ppm): 12 chemical-shift based assignments, quality = 0.593, support = 1.4, residual support = 3.62: QG2 VAL 80 - QD1 LEU 43 8.333% * 29.6445% (0.75 1.53 5.12) = 29.645% kept QD1 LEU 67 - QD1 LEU 43 8.333% * 25.7096% (0.59 1.69 4.82) = 25.710% kept HG12 ILE 68 - QD1 LEU 43 8.333% * 22.1679% (0.62 1.38 1.23) = 22.168% kept QG1 VAL 80 - QD1 LEU 43 8.333% * 8.8733% (0.20 1.70 5.12) = 8.873% kept QG1 VAL 47 - QD1 LEU 43 8.333% * 7.6576% (0.53 0.56 0.25) = 7.658% kept QG2 VAL 40 - QD1 LEU 43 8.333% * 4.0564% (0.46 0.34 2.79) = 4.056% kept HB2 ARG+ 84 - QD1 LEU 43 8.333% * 1.0238% (0.43 0.09 0.02) = 1.024% kept QG2 VAL 87 - QD1 LEU 43 8.333% * 0.2375% (0.46 0.02 0.02) = 0.237% QG2 VAL 105 - QD1 LEU 43 8.333% * 0.2042% (0.40 0.02 0.02) = 0.204% QD1 LEU 17 - QD1 LEU 43 8.333% * 0.1881% (0.36 0.02 0.02) = 0.188% QG1 VAL 105 - QD1 LEU 43 8.333% * 0.1724% (0.33 0.02 0.02) = 0.172% QG2 VAL 62 - QD1 LEU 43 8.333% * 0.0647% (0.13 0.02 1.15) = 0.065% Peak 266 (0.70, -0.10, 21.87 ppm): 9 chemical-shift based assignments, quality = 0.801, support = 0.795, residual support = 0.642: QG2 ILE 68 - QD1 LEU 43 11.111% * 48.0878% (0.80 1.15 1.23) = 48.088% kept QD1 ILE 19 - QD1 LEU 43 11.111% * 27.8605% (0.86 0.61 0.10) = 27.860% kept HG12 ILE 19 - QD1 LEU 43 11.111% * 16.3797% (0.76 0.41 0.10) = 16.380% kept QG2 ILE 48 - QD1 LEU 43 11.111% * 4.2882% (0.97 0.08 0.12) = 4.288% kept QG2 ILE 101 - QD1 LEU 43 11.111% * 1.0257% (0.98 0.02 0.02) = 1.026% kept QG2 THR 96 - QD1 LEU 43 11.111% * 0.8734% (0.83 0.02 0.02) = 0.873% QG2 VAL 94 - QD1 LEU 43 11.111% * 0.8373% (0.80 0.02 0.02) = 0.837% HG LEU 74 - QD1 LEU 43 11.111% * 0.3567% (0.34 0.02 0.02) = 0.357% QG1 VAL 62 - QD1 LEU 43 11.111% * 0.2907% (0.28 0.02 1.15) = 0.291% Peak 272 (0.48, -0.11, 21.89 ppm): 2 chemical-shift based assignments, quality = 0.951, support = 4.9, residual support = 148.1: O QD2 LEU 43 - QD1 LEU 43 50.000% * 99.9647% (0.95 10.0 4.90 148.16) = 99.965% kept QD2 LEU 74 - QD1 LEU 43 50.000% * 0.0353% (0.34 1.0 0.02 0.02) = 0.035% 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 = 0.813, support = 3.06, residual support = 10.8: HN THR 96 - QG2 THR 95 8.333% * 50.9363% (0.93 4.49 19.27) = 50.936% kept HN ARG+ 22 - QG2 THR 95 8.333% * 16.7810% (0.96 1.44 0.25) = 16.781% kept HN MET 97 - QG2 THR 95 8.333% * 15.6334% (0.63 2.06 1.04) = 15.633% kept HN ILE 19 - QG2 THR 95 8.333% * 7.1759% (0.27 2.20 9.77) = 7.176% kept HN LEU 17 - QG2 THR 95 8.333% * 5.5540% (0.81 0.57 1.08) = 5.554% kept HN LEU 17 - QG2 THR 61 8.333% * 2.0976% (0.21 0.81 0.02) = 2.098% kept HN PHE 21 - QG2 THR 95 8.333% * 1.0575% (0.87 0.10 0.02) = 1.058% kept HN MET 97 - QG2 THR 61 8.333% * 0.5697% (0.17 0.28 0.02) = 0.570% HN ARG+ 22 - QG2 THR 61 8.333% * 0.0616% (0.25 0.02 0.02) = 0.062% HN THR 96 - QG2 THR 61 8.333% * 0.0599% (0.25 0.02 0.02) = 0.060% HN PHE 21 - QG2 THR 61 8.333% * 0.0557% (0.23 0.02 0.02) = 0.056% HN ILE 19 - QG2 THR 61 8.333% * 0.0173% (0.07 0.02 0.35) = 0.017% Peak 284 (8.80, 0.82, 21.52 ppm): 5 chemical-shift based assignments, quality = 0.297, support = 4.15, residual support = 16.6: HN THR 95 - QG1 VAL 94 20.000% * 81.6095% (0.28 5.01 20.34) = 81.609% kept HN SER 69 - QG1 VAL 94 20.000% * 9.3145% (0.45 0.35 0.02) = 9.314% kept HN LYS+ 60 - QG1 VAL 94 20.000% * 7.5139% (0.38 0.34 0.02) = 7.514% kept HN ASN 57 - QG1 VAL 94 20.000% * 0.8512% (0.73 0.02 0.02) = 0.851% HN LYS+ 32 - QG1 VAL 94 20.000% * 0.7110% (0.61 0.02 0.02) = 0.711% Peak 285 (8.60, 1.42, 21.47 ppm): 8 chemical-shift based assignments, quality = 0.6, support = 2.1, residual support = 8.72: HN THR 39 - QG2 THR 38 12.500% * 59.8515% (0.60 3.07 14.00) = 59.852% kept HN VAL 80 - QG2 THR 38 12.500% * 15.3275% (0.57 0.84 1.82) = 15.328% kept HN LYS+ 20 - QG2 THR 38 12.500% * 12.3441% (0.86 0.44 0.29) = 12.344% kept HN VAL 73 - QG2 THR 38 12.500% * 10.7257% (0.43 0.78 0.26) = 10.726% kept HN LYS+ 20 - HD3 LYS+ 44 12.500% * 0.6129% (0.95 0.02 0.02) = 0.613% HN THR 39 - HD3 LYS+ 44 12.500% * 0.4295% (0.66 0.02 0.02) = 0.429% HN VAL 80 - HD3 LYS+ 44 12.500% * 0.4045% (0.63 0.02 0.89) = 0.404% HN VAL 73 - HD3 LYS+ 44 12.500% * 0.3043% (0.47 0.02 0.02) = 0.304% Peak 286 (8.47, 4.18, 62.80 ppm): 20 chemical-shift based assignments, quality = 0.58, support = 3.01, residual support = 7.99: O HN LEU 74 - HA VAL 73 5.000% * 77.4201% (0.52 10.0 3.63 10.30) = 77.420% kept HN GLU- 107 - HA VAL 73 5.000% * 9.0580% (0.91 1.0 1.34 0.02) = 9.058% kept HN GLY 92 - HB3 SER 49 5.000% * 4.0226% (0.74 1.0 0.73 0.42) = 4.023% kept HN GLU- 107 - HB3 SER 49 5.000% * 3.9539% (0.76 1.0 0.70 0.02) = 3.954% kept HN GLY 92 - HA VAL 73 5.000% * 3.2530% (0.88 1.0 0.49 0.02) = 3.253% kept HN GLU- 18 - HA VAL 73 5.000% * 1.6453% (0.52 1.0 0.43 0.16) = 1.645% kept HN LEU 74 - HB3 SER 49 5.000% * 0.0647% (0.43 1.0 0.02 1.07) = 0.065% HN GLU- 18 - HB3 SER 49 5.000% * 0.0647% (0.43 1.0 0.02 0.02) = 0.065% HN GLU- 107 - HA VAL 105 5.000% * 0.0611% (0.41 1.0 0.02 0.02) = 0.061% HN GLU- 107 - HA VAL 87 5.000% * 0.0600% (0.40 1.0 0.02 0.02) = 0.060% HN GLY 92 - HA VAL 105 5.000% * 0.0595% (0.40 1.0 0.02 0.02) = 0.059% HN GLY 92 - HA VAL 87 5.000% * 0.0585% (0.39 1.0 0.02 0.02) = 0.058% HN GLU- 10 - HA VAL 73 5.000% * 0.0513% (0.34 1.0 0.02 0.02) = 0.051% HN GLU- 10 - HB3 SER 49 5.000% * 0.0429% (0.29 1.0 0.02 0.02) = 0.043% HN GLU- 18 - HA VAL 105 5.000% * 0.0349% (0.23 1.0 0.02 0.02) = 0.035% HN LEU 74 - HA VAL 105 5.000% * 0.0349% (0.23 1.0 0.02 0.02) = 0.035% HN GLU- 18 - HA VAL 87 5.000% * 0.0343% (0.23 1.0 0.02 0.02) = 0.034% HN LEU 74 - HA VAL 87 5.000% * 0.0343% (0.23 1.0 0.02 0.02) = 0.034% HN GLU- 10 - HA VAL 105 5.000% * 0.0231% (0.15 1.0 0.02 0.02) = 0.023% HN GLU- 10 - HA VAL 87 5.000% * 0.0227% (0.15 1.0 0.02 0.02) = 0.023% Peak 287 (8.23, 4.38, 63.07 ppm): 22 chemical-shift based assignments, quality = 0.226, support = 2.65, residual support = 10.2: O HN VAL 105 - HA PRO 104 4.545% * 77.1816% (0.19 10.0 3.00 10.10) = 77.182% kept HN VAL 94 - HA THR 95 4.545% * 11.9069% (0.26 1.0 2.31 20.34) = 11.907% kept HN LEU 67 - HA THR 95 4.545% * 7.7851% (0.52 1.0 0.75 0.16) = 7.785% kept HN SER 49 - HA THR 95 4.545% * 1.0298% (0.51 1.0 0.10 0.02) = 1.030% kept HN GLY 58 - HA THR 95 4.545% * 0.2118% (0.53 1.0 0.02 0.02) = 0.212% HN LYS+ 81 - HA THR 95 4.545% * 0.2076% (0.52 1.0 0.02 0.02) = 0.208% HN GLU- 12 - HA THR 95 4.545% * 0.1955% (0.49 1.0 0.02 0.02) = 0.196% HN GLY 58 - HA PRO 104 4.545% * 0.1722% (0.43 1.0 0.02 0.14) = 0.172% HN LYS+ 81 - HA PRO 104 4.545% * 0.1687% (0.42 1.0 0.02 0.02) = 0.169% HN LEU 67 - HA PRO 104 4.545% * 0.1687% (0.42 1.0 0.02 0.02) = 0.169% HN SER 49 - HA PRO 104 4.545% * 0.1661% (0.42 1.0 0.02 0.02) = 0.166% HN GLU- 12 - HA PRO 104 4.545% * 0.1589% (0.40 1.0 0.02 0.02) = 0.159% HN THR 106 - HA THR 95 4.545% * 0.1031% (0.26 1.0 0.02 0.02) = 0.103% HN VAL 105 - HA THR 95 4.545% * 0.0950% (0.24 1.0 0.02 0.02) = 0.095% HN VAL 94 - HA PRO 104 4.545% * 0.0838% (0.21 1.0 0.02 0.02) = 0.084% HN THR 106 - HA PRO 104 4.545% * 0.0838% (0.21 1.0 0.02 0.02) = 0.084% HN ALA 11 - HA THR 95 4.545% * 0.0654% (0.16 1.0 0.02 0.02) = 0.065% HN ALA 11 - HA PRO 104 4.545% * 0.0531% (0.13 1.0 0.02 0.02) = 0.053% HN GLU- 45 - HA THR 95 4.545% * 0.0528% (0.13 1.0 0.02 0.02) = 0.053% HN GLU- 45 - HA PRO 104 4.545% * 0.0429% (0.11 1.0 0.02 0.02) = 0.043% HN GLN 16 - HA THR 95 4.545% * 0.0371% (0.09 1.0 0.02 0.52) = 0.037% HN GLN 16 - HA PRO 104 4.545% * 0.0301% (0.08 1.0 0.02 0.02) = 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 = 0.965, support = 3.27, residual support = 41.6: HN VAL 94 - QG1 VAL 94 10.000% * 84.4056% (0.99 3.83 49.31) = 84.406% kept HN ALA 11 - QG1 VAL 94 10.000% * 5.4530% (0.94 0.26 0.02) = 5.453% kept HN GLU- 45 - QG1 VAL 94 10.000% * 4.4712% (0.89 0.23 0.02) = 4.471% kept HN VAL 105 - QG1 VAL 94 10.000% * 2.0161% (0.99 0.09 0.02) = 2.016% kept HN LEU 67 - QG1 VAL 94 10.000% * 1.9592% (0.37 0.24 0.02) = 1.959% kept HN SER 49 - QG1 VAL 94 10.000% * 1.0706% (0.64 0.08 0.02) = 1.071% kept HN GLY 58 - QG1 VAL 94 10.000% * 0.2143% (0.48 0.02 0.02) = 0.214% HN LYS+ 81 - QG1 VAL 94 10.000% * 0.1652% (0.37 0.02 0.10) = 0.165% HN GLU- 12 - QG1 VAL 94 10.000% * 0.1224% (0.28 0.02 0.02) = 0.122% HN ALA 33 - QG1 VAL 94 10.000% * 0.1224% (0.28 0.02 0.02) = 0.122% Peak 290 (8.08, 0.81, 21.29 ppm): 2 chemical-shift based assignments, quality = 0.0605, support = 1.28, residual support = 3.25: HN ASN 15 - QG1 VAL 94 50.000% * 58.2910% (0.09 0.63 0.73) = 58.291% kept HN ASN 15 - QG2 VAL 13 50.000% * 41.7090% (0.02 2.20 6.77) = 41.709% kept Not enough quality. Peak unassigned. 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 = 0.875, support = 2.01, residual support = 2.51: QE PHE 34 - HD3 LYS+ 44 8.333% * 30.0026% (0.96 2.77 3.33) = 30.003% kept HZ PHE 34 - HD3 LYS+ 44 8.333% * 23.8245% (0.96 2.20 3.33) = 23.824% kept QD PHE 34 - HD3 LYS+ 44 8.333% * 19.2904% (0.70 2.45 3.33) = 19.290% kept HZ PHE 34 - QG2 THR 38 8.333% * 7.2894% (0.88 0.74 0.34) = 7.289% kept QE PHE 34 - QG2 THR 38 8.333% * 7.2321% (0.88 0.73 0.34) = 7.232% kept QD PHE 34 - QG2 THR 38 8.333% * 5.9603% (0.64 0.83 0.34) = 5.960% kept HZ2 TRP 51 - HD3 LYS+ 44 8.333% * 5.6822% (0.96 0.52 0.02) = 5.682% kept HZ2 TRP 51 - QG2 THR 38 8.333% * 0.1982% (0.88 0.02 0.02) = 0.198% HN VAL 47 - HD3 LYS+ 44 8.333% * 0.1403% (0.62 0.02 2.93) = 0.140% HN ARG+ 84 - HD3 LYS+ 44 8.333% * 0.1315% (0.58 0.02 0.02) = 0.132% HN VAL 47 - QG2 THR 38 8.333% * 0.1282% (0.57 0.02 0.02) = 0.128% HN ARG+ 84 - QG2 THR 38 8.333% * 0.1202% (0.53 0.02 0.02) = 0.120% Peak 293 (4.99, 4.18, 62.74 ppm): 20 chemical-shift based assignments, quality = 0.572, support = 1.58, residual support = 1.38: HA SER 69 - HA VAL 73 5.000% * 25.5431% (0.76 1.90 0.38) = 25.543% kept HA ILE 68 - HA VAL 73 5.000% * 21.0682% (0.59 2.04 2.96) = 21.068% kept HA ILE 68 - HB3 SER 49 5.000% * 16.0373% (0.52 1.76 2.61) = 16.037% kept HA ILE 68 - HA VAL 105 5.000% * 10.2786% (0.37 1.59 2.25) = 10.279% kept HA SER 69 - HB3 SER 49 5.000% * 9.8015% (0.67 0.83 0.02) = 9.801% kept HA MET 97 - HA VAL 73 5.000% * 8.1262% (0.44 1.06 0.02) = 8.126% kept HA SER 69 - HA VAL 105 5.000% * 5.4556% (0.48 0.65 0.02) = 5.456% kept HA ALA 33 - HA VAL 73 5.000% * 2.4753% (0.17 0.82 0.02) = 2.475% kept HA PRO 31 - HA VAL 73 5.000% * 0.2262% (0.64 0.02 0.02) = 0.226% HA PRO 31 - HB3 SER 49 5.000% * 0.1987% (0.57 0.02 0.02) = 0.199% HA PRO 31 - HA VAL 105 5.000% * 0.1416% (0.40 0.02 0.02) = 0.142% HA MET 97 - HB3 SER 49 5.000% * 0.1347% (0.38 0.02 0.02) = 0.135% HA MET 97 - HA VAL 105 5.000% * 0.0960% (0.27 0.02 0.02) = 0.096% HA SER 69 - HA VAL 87 5.000% * 0.0957% (0.27 0.02 0.02) = 0.096% HA PRO 31 - HA VAL 87 5.000% * 0.0807% (0.23 0.02 0.02) = 0.081% HA ILE 68 - HA VAL 87 5.000% * 0.0738% (0.21 0.02 0.02) = 0.074% HA MET 97 - HA VAL 87 5.000% * 0.0547% (0.16 0.02 0.02) = 0.055% HA ALA 33 - HB3 SER 49 5.000% * 0.0530% (0.15 0.02 0.02) = 0.053% HA ALA 33 - HA VAL 105 5.000% * 0.0377% (0.11 0.02 0.02) = 0.038% HA ALA 33 - HA VAL 87 5.000% * 0.0215% (0.06 0.02 0.02) = 0.021% Peak 294 (4.79, 0.83, 21.45 ppm): 3 chemical-shift based assignments, quality = 0.657, support = 0.02, residual support = 0.428: HA ASN 15 - QG1 VAL 94 33.333% * 54.7477% (0.84 0.02 0.73) = 54.748% kept HA LEU 23 - QG1 VAL 94 33.333% * 34.5613% (0.53 0.02 0.02) = 34.561% kept HB THR 39 - QG1 VAL 94 33.333% * 10.6910% (0.16 0.02 0.19) = 10.691% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 295 (4.28, 0.82, 21.51 ppm): 17 chemical-shift based assignments, quality = 0.903, support = 4.09, residual support = 48.5: O HA VAL 94 - QG1 VAL 94 5.882% * 98.3898% (0.92 10.0 4.15 49.31) = 98.390% kept HA GLU- 75 - QG1 VAL 94 5.882% * 0.7070% (0.48 1.0 0.27 0.51) = 0.707% HA LEU 90 - QG1 VAL 94 5.882% * 0.1063% (0.99 1.0 0.02 0.02) = 0.106% HA ARG+ 84 - QG1 VAL 94 5.882% * 0.0956% (0.89 1.0 0.02 0.02) = 0.096% HD3 PRO 59 - QG1 VAL 94 5.882% * 0.0956% (0.89 1.0 0.02 0.02) = 0.096% HA SER 85 - QG1 VAL 94 5.882% * 0.0956% (0.89 1.0 0.02 0.02) = 0.096% HA PRO 52 - QG1 VAL 94 5.882% * 0.0956% (0.89 1.0 0.02 0.02) = 0.096% HA THR 106 - QG1 VAL 94 5.882% * 0.0890% (0.83 1.0 0.02 0.02) = 0.089% HA VAL 65 - QG1 VAL 94 5.882% * 0.0890% (0.83 1.0 0.02 0.02) = 0.089% HA ASP- 36 - QG1 VAL 94 5.882% * 0.0603% (0.56 1.0 0.02 0.02) = 0.060% HA GLU- 64 - QG1 VAL 94 5.882% * 0.0561% (0.52 1.0 0.02 0.02) = 0.056% HA GLU- 56 - QG1 VAL 94 5.882% * 0.0266% (0.25 1.0 0.02 0.02) = 0.027% HA GLU- 107 - QG1 VAL 94 5.882% * 0.0237% (0.22 1.0 0.02 0.02) = 0.024% HA ASN 76 - QG1 VAL 94 5.882% * 0.0211% (0.20 1.0 0.02 0.02) = 0.021% HA ALA 11 - QG1 VAL 94 5.882% * 0.0164% (0.15 1.0 0.02 0.02) = 0.016% HA ILE 29 - QG1 VAL 94 5.882% * 0.0164% (0.15 1.0 0.02 0.02) = 0.016% HB3 SER 49 - QG1 VAL 94 5.882% * 0.0157% (0.15 1.0 0.02 0.02) = 0.016% Peak 297 (4.03, 1.42, 21.49 ppm): 12 chemical-shift based assignments, quality = 0.273, support = 3.05, residual support = 19.6: O T HA THR 38 - QG2 THR 38 8.333% * 68.8449% (0.34 10.0 10.00 3.44 20.13) = 68.845% kept O T HB THR 38 - QG2 THR 38 8.333% * 28.3030% (0.14 10.0 10.00 2.41 20.13) = 28.303% kept T HA THR 38 - HD3 LYS+ 44 8.333% * 0.7458% (0.37 1.0 10.00 0.02 0.02) = 0.746% HA VAL 13 - QG2 THR 38 8.333% * 0.7420% (0.69 1.0 1.00 0.11 0.02) = 0.742% HB3 SER 85 - QG2 THR 38 8.333% * 0.6295% (0.51 1.0 1.00 0.12 0.02) = 0.630% T HB THR 38 - HD3 LYS+ 44 8.333% * 0.3066% (0.15 1.0 10.00 0.02 0.02) = 0.307% HA VAL 13 - HD3 LYS+ 44 8.333% * 0.1519% (0.75 1.0 1.00 0.02 0.02) = 0.152% HB3 SER 85 - HD3 LYS+ 44 8.333% * 0.1125% (0.55 1.0 1.00 0.02 0.02) = 0.113% HB THR 95 - HD3 LYS+ 44 8.333% * 0.0442% (0.22 1.0 1.00 0.02 0.02) = 0.044% HB3 SER 49 - HD3 LYS+ 44 8.333% * 0.0409% (0.20 1.0 1.00 0.02 0.02) = 0.041% HB THR 95 - QG2 THR 38 8.333% * 0.0408% (0.20 1.0 1.00 0.02 0.02) = 0.041% HB3 SER 49 - QG2 THR 38 8.333% * 0.0378% (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 = 0.96, support = 2.92, residual support = 30.5: O T HB THR 95 - QG2 THR 95 12.500% * 99.5535% (0.96 10.0 10.00 2.93 30.62) = 99.553% kept T HB THR 95 - QG2 THR 61 12.500% * 0.1980% (0.19 1.0 10.00 0.02 0.02) = 0.198% HA THR 38 - QG2 THR 95 12.500% * 0.0881% (0.85 1.0 1.00 0.02 0.02) = 0.088% HA1 GLY 92 - QG2 THR 95 12.500% * 0.0698% (0.68 1.0 1.00 0.02 0.02) = 0.070% HA VAL 13 - QG2 THR 95 12.500% * 0.0494% (0.48 1.0 1.00 0.02 0.02) = 0.049% HA THR 38 - QG2 THR 61 12.500% * 0.0175% (0.17 1.0 1.00 0.02 0.02) = 0.018% HA1 GLY 92 - QG2 THR 61 12.500% * 0.0139% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA VAL 13 - QG2 THR 61 12.500% * 0.0098% (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 = 0.371, support = 0.42, residual support = 0.137: HB VAL 80 - QG2 THR 95 3.333% * 26.6655% (0.52 0.38 0.15) = 26.666% kept HB3 PRO 35 - QG2 THR 61 3.333% * 16.5822% (0.18 0.68 0.02) = 16.582% kept HG3 GLU- 18 - QG2 THR 95 3.333% * 8.5557% (0.13 0.48 0.12) = 8.556% kept HG3 GLN 102 - QG2 THR 61 3.333% * 7.5136% (0.04 1.44 0.88) = 7.514% kept HA1 GLY 58 - QG2 THR 61 3.333% * 6.4955% (0.09 0.56 0.15) = 6.496% kept HA1 GLY 58 - QG2 THR 95 3.333% * 6.2491% (0.43 0.11 0.02) = 6.249% kept HG3 GLU- 107 - QG2 THR 95 3.333% * 2.4558% (0.92 0.02 0.02) = 2.456% kept HB3 ASN 15 - QG2 THR 95 3.333% * 2.4558% (0.92 0.02 0.02) = 2.456% kept HB3 PRO 35 - QG2 THR 95 3.333% * 2.4410% (0.91 0.02 0.02) = 2.441% kept HG3 GLU- 54 - QG2 THR 95 3.333% * 2.3077% (0.86 0.02 0.02) = 2.308% kept HG2 GLU- 56 - QG2 THR 95 3.333% * 2.2221% (0.83 0.02 0.02) = 2.222% kept HG3 GLU- 10 - QG2 THR 95 3.333% * 2.1302% (0.79 0.02 0.02) = 2.130% kept HG3 GLU- 56 - QG2 THR 95 3.333% * 1.9318% (0.72 0.02 0.02) = 1.932% kept HB VAL 80 - QG2 THR 61 3.333% * 1.7122% (0.10 0.12 0.02) = 1.712% kept HG2 GLU- 64 - QG2 THR 95 3.333% * 1.6761% (0.63 0.02 0.02) = 1.676% kept HG3 GLU- 18 - QG2 THR 61 3.333% * 1.6102% (0.03 0.45 0.02) = 1.610% kept HG3 GLU- 75 - QG2 THR 95 3.333% * 1.1927% (0.44 0.02 0.21) = 1.193% kept HG3 GLU- 64 - QG2 THR 95 3.333% * 0.8637% (0.32 0.02 0.02) = 0.864% HB3 PRO 52 - QG2 THR 95 3.333% * 0.8211% (0.31 0.02 0.02) = 0.821% HG3 GLN 102 - QG2 THR 95 3.333% * 0.5265% (0.20 0.02 0.02) = 0.526% HB3 ASN 15 - QG2 THR 61 3.333% * 0.4884% (0.18 0.02 0.02) = 0.488% HG3 GLU- 107 - QG2 THR 61 3.333% * 0.4884% (0.18 0.02 0.02) = 0.488% HG3 GLU- 54 - QG2 THR 61 3.333% * 0.4590% (0.17 0.02 0.02) = 0.459% HG2 GLU- 56 - QG2 THR 61 3.333% * 0.4420% (0.16 0.02 0.02) = 0.442% HG3 GLU- 10 - QG2 THR 61 3.333% * 0.4237% (0.16 0.02 0.02) = 0.424% HG3 GLU- 56 - QG2 THR 61 3.333% * 0.3842% (0.14 0.02 0.02) = 0.384% HG2 GLU- 64 - QG2 THR 61 3.333% * 0.3334% (0.12 0.02 0.02) = 0.333% HG3 GLU- 75 - QG2 THR 61 3.333% * 0.2372% (0.09 0.02 1.01) = 0.237% HG3 GLU- 64 - QG2 THR 61 3.333% * 0.1718% (0.06 0.02 0.02) = 0.172% HB3 PRO 52 - QG2 THR 61 3.333% * 0.1633% (0.06 0.02 0.02) = 0.163% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 301 (2.19, 4.38, 63.05 ppm): 28 chemical-shift based assignments, quality = 0.314, support = 4.18, residual support = 47.6: O T HB3 PRO 104 - HA PRO 104 3.571% * 71.2001% (0.40 10.0 10.00 4.97 53.16) = 71.200% kept O HG2 PRO 104 - HA PRO 104 3.571% * 18.2743% (0.10 10.0 1.00 3.22 53.16) = 18.274% kept T HB3 GLU- 75 - HA THR 95 3.571% * 8.1834% (0.14 1.0 10.00 0.64 0.21) = 8.183% kept T HB3 PRO 104 - HA THR 95 3.571% * 0.8641% (0.48 1.0 10.00 0.02 0.02) = 0.864% T HB3 GLU- 75 - HA PRO 104 3.571% * 0.2097% (0.12 1.0 10.00 0.02 0.02) = 0.210% HG2 GLU- 64 - HA THR 95 3.571% * 0.0996% (0.56 1.0 1.00 0.02 0.02) = 0.100% HB VAL 99 - HA THR 95 3.571% * 0.0893% (0.50 1.0 1.00 0.02 0.02) = 0.089% HG2 GLN 16 - HA THR 95 3.571% * 0.0832% (0.47 1.0 1.00 0.02 0.52) = 0.083% HG3 GLU- 64 - HA THR 95 3.571% * 0.0831% (0.46 1.0 1.00 0.02 0.02) = 0.083% HG2 GLU- 64 - HA PRO 104 3.571% * 0.0821% (0.46 1.0 1.00 0.02 0.02) = 0.082% HB VAL 99 - HA PRO 104 3.571% * 0.0736% (0.41 1.0 1.00 0.02 0.02) = 0.074% HG2 GLN 16 - HA PRO 104 3.571% * 0.0686% (0.38 1.0 1.00 0.02 0.02) = 0.069% HG3 GLU- 64 - HA PRO 104 3.571% * 0.0684% (0.38 1.0 1.00 0.02 0.02) = 0.068% HB2 ASP- 82 - HA THR 95 3.571% * 0.0684% (0.38 1.0 1.00 0.02 0.02) = 0.068% HB3 PRO 35 - HA THR 95 3.571% * 0.0684% (0.38 1.0 1.00 0.02 0.02) = 0.068% HG2 GLN 102 - HA THR 95 3.571% * 0.0644% (0.36 1.0 1.00 0.02 0.02) = 0.064% HG3 GLN 16 - HA THR 95 3.571% * 0.0564% (0.32 1.0 1.00 0.02 0.52) = 0.056% HB2 ASP- 82 - HA PRO 104 3.571% * 0.0564% (0.32 1.0 1.00 0.02 0.02) = 0.056% HB3 PRO 35 - HA PRO 104 3.571% * 0.0564% (0.32 1.0 1.00 0.02 0.02) = 0.056% HG2 GLN 102 - HA PRO 104 3.571% * 0.0531% (0.30 1.0 1.00 0.02 0.02) = 0.053% HG3 GLN 16 - HA PRO 104 3.571% * 0.0465% (0.26 1.0 1.00 0.02 0.02) = 0.046% HA1 GLY 58 - HA THR 95 3.571% * 0.0328% (0.18 1.0 1.00 0.02 0.02) = 0.033% HA1 GLY 58 - HA PRO 104 3.571% * 0.0270% (0.15 1.0 1.00 0.02 0.14) = 0.027% HG3 MET 97 - HA THR 95 3.571% * 0.0222% (0.12 1.0 1.00 0.02 1.04) = 0.022% HG2 PRO 104 - HA THR 95 3.571% * 0.0222% (0.12 1.0 1.00 0.02 0.02) = 0.022% HG3 MET 97 - HA PRO 104 3.571% * 0.0183% (0.10 1.0 1.00 0.02 0.02) = 0.018% HB2 GLU- 50 - HA THR 95 3.571% * 0.0154% (0.09 1.0 1.00 0.02 0.02) = 0.015% HB2 GLU- 50 - HA PRO 104 3.571% * 0.0127% (0.07 1.0 1.00 0.02 0.02) = 0.013% 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): 28 chemical-shift based assignments, quality = 0.0817, support = 1.36, residual support = 6.73: QG2 VAL 105 - HA PRO 104 3.571% * 35.4436% (0.09 1.92 10.10) = 35.444% kept QG1 VAL 105 - HA PRO 104 3.571% * 31.0193% (0.08 1.92 10.10) = 31.019% kept QD1 LEU 67 - HA THR 95 3.571% * 7.0421% (0.11 0.34 0.16) = 7.042% kept QG2 VAL 40 - HA THR 95 3.571% * 5.3731% (0.08 0.35 0.02) = 5.373% kept QG1 VAL 47 - HA THR 95 3.571% * 4.8158% (0.09 0.27 0.02) = 4.816% kept QG1 VAL 47 - HA PRO 104 3.571% * 4.7218% (0.07 0.34 0.02) = 4.722% kept QG2 VAL 40 - HA PRO 104 3.571% * 2.9320% (0.06 0.25 0.02) = 2.932% kept HG12 ILE 68 - HA PRO 104 3.571% * 2.2622% (0.13 0.09 0.02) = 2.262% kept QG2 VAL 80 - HA THR 95 3.571% * 0.7359% (0.18 0.02 0.15) = 0.736% HG12 ILE 68 - HA THR 95 3.571% * 0.6659% (0.17 0.02 0.02) = 0.666% QG2 VAL 80 - HA PRO 104 3.571% * 0.5652% (0.14 0.02 0.02) = 0.565% HB2 ARG+ 84 - HA THR 95 3.571% * 0.5100% (0.13 0.02 0.02) = 0.510% QG2 VAL 105 - HA THR 95 3.571% * 0.4803% (0.12 0.02 0.02) = 0.480% QD1 LEU 17 - HA THR 95 3.571% * 0.4503% (0.11 0.02 1.08) = 0.450% QG1 VAL 105 - HA THR 95 3.571% * 0.4203% (0.11 0.02 0.02) = 0.420% HB2 ARG+ 84 - HA PRO 104 3.571% * 0.3917% (0.10 0.02 0.02) = 0.392% QD1 LEU 17 - HA PRO 104 3.571% * 0.3459% (0.09 0.02 0.02) = 0.346% QD1 LEU 67 - HA PRO 104 3.571% * 0.3228% (0.08 0.02 0.02) = 0.323% QG2 VAL 87 - HA THR 95 3.571% * 0.3052% (0.08 0.02 0.02) = 0.305% QG2 VAL 87 - HA PRO 104 3.571% * 0.2344% (0.06 0.02 0.02) = 0.234% QG2 VAL 62 - HA THR 95 3.571% * 0.1851% (0.05 0.02 0.02) = 0.185% QG2 VAL 62 - HA PRO 104 3.571% * 0.1422% (0.04 0.02 0.02) = 0.142% QG2 VAL 73 - HA THR 95 3.571% * 0.1300% (0.03 0.02 0.02) = 0.130% QG2 ILE 29 - HA THR 95 3.571% * 0.1146% (0.03 0.02 0.02) = 0.115% QG1 VAL 80 - HA THR 95 3.571% * 0.1146% (0.03 0.02 0.15) = 0.115% QG2 VAL 73 - HA PRO 104 3.571% * 0.0999% (0.03 0.02 0.02) = 0.100% QG2 ILE 29 - HA PRO 104 3.571% * 0.0880% (0.02 0.02 0.02) = 0.088% QG1 VAL 80 - HA PRO 104 3.571% * 0.0880% (0.02 0.02 0.02) = 0.088% Peak 342 (0.82, 0.82, 21.38 ppm): 1 diagonal assignment: QG1 VAL 94 - QG1 VAL 94 (0.75) kept Peak 345 (0.70, 0.69, 21.63 ppm): 2 diagonal assignments: QG2 VAL 94 - QG2 VAL 94 (0.69) kept QG2 THR 96 - QG2 THR 96 (0.58) kept Peak 362 (9.09, 4.19, 62.54 ppm): 8 chemical-shift based assignments, quality = 0.265, support = 0.554, residual support = 0.272: HN GLU- 54 - HB3 SER 49 12.500% * 45.0371% (0.24 0.72 0.02) = 45.037% kept HN LYS+ 66 - HB3 SER 49 12.500% * 40.6134% (0.28 0.54 0.64) = 40.613% kept HN LYS+ 66 - HA VAL 105 12.500% * 8.0518% (0.39 0.08 0.02) = 8.052% kept HN LYS+ 66 - HA VAL 73 12.500% * 3.4722% (0.16 0.08 0.02) = 3.472% kept HN GLU- 54 - HA VAL 105 12.500% * 1.7127% (0.33 0.02 0.02) = 1.713% kept HN GLU- 54 - HA VAL 73 12.500% * 0.7130% (0.14 0.02 0.02) = 0.713% HN LYS+ 66 - HA VAL 87 12.500% * 0.2178% (0.04 0.02 0.02) = 0.218% HN GLU- 54 - HA VAL 87 12.500% * 0.1820% (0.03 0.02 0.02) = 0.182% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 363 (8.44, 4.01, 62.59 ppm): 6 chemical-shift based assignments, quality = 0.38, support = 1.83, residual support = 1.94: O HN HIS+ 14 - HA VAL 13 16.667% * 94.1111% (0.37 10.0 1.91 2.06) = 94.111% kept HN GLU- 75 - HA VAL 13 16.667% * 5.3862% (0.57 1.0 0.71 0.02) = 5.386% kept HN LEU 74 - HA VAL 13 16.667% * 0.2032% (0.76 1.0 0.02 0.02) = 0.203% HN ARG+ 53 - HA VAL 13 16.667% * 0.1599% (0.60 1.0 0.02 0.02) = 0.160% HN GLU- 107 - HA VAL 13 16.667% * 0.0905% (0.34 1.0 0.02 0.02) = 0.091% HN GLY 92 - HA VAL 13 16.667% * 0.0490% (0.18 1.0 0.02 0.02) = 0.049% Peak 364 (8.34, 4.06, 62.55 ppm): 10 chemical-shift based assignments, quality = 0.295, support = 1.79, residual support = 4.48: HN GLU- 50 - HB2 SER 49 10.000% * 53.2494% (0.40 2.01 5.55) = 53.249% kept HN GLU- 50 - HB3 SER 49 10.000% * 27.3081% (0.18 2.35 5.55) = 27.308% kept HN ALA 103 - HB3 SER 49 10.000% * 7.3463% (0.18 0.63 0.02) = 7.346% kept HN GLY 71 - HB2 SER 49 10.000% * 4.3303% (0.14 0.46 0.02) = 4.330% kept HN LYS+ 108 - HB2 SER 49 10.000% * 3.6633% (0.28 0.20 0.02) = 3.663% kept HN GLY 71 - HB3 SER 49 10.000% * 1.6962% (0.06 0.41 0.02) = 1.696% kept HN LYS+ 108 - HB3 SER 49 10.000% * 1.6044% (0.12 0.20 0.02) = 1.604% kept HN ALA 103 - HB2 SER 49 10.000% * 0.5305% (0.40 0.02 0.02) = 0.531% HN ASN 76 - HB2 SER 49 10.000% * 0.1888% (0.14 0.02 0.02) = 0.189% HN ASN 76 - HB3 SER 49 10.000% * 0.0827% (0.06 0.02 0.02) = 0.083% Peak 365 (8.27, 4.13, 62.46 ppm): 10 chemical-shift based assignments, quality = 0.0776, support = 2.13, residual support = 3.24: O HN THR 106 - HA VAL 105 10.000% * 89.8778% (0.07 10.0 2.32 3.57) = 89.878% kept HN THR 106 - HB3 SER 49 10.000% * 6.7592% (0.16 1.0 0.71 0.46) = 6.759% kept HN GLN 16 - HA VAL 105 10.000% * 1.1584% (0.13 1.0 0.14 0.02) = 1.158% kept HN ASP- 28 - HA VAL 105 10.000% * 0.9638% (0.09 1.0 0.17 0.02) = 0.964% HN ASN 89 - HB3 SER 49 10.000% * 0.3720% (0.30 1.0 0.02 0.02) = 0.372% HN GLN 16 - HB3 SER 49 10.000% * 0.3411% (0.28 1.0 0.02 0.02) = 0.341% HN ASP- 28 - HB3 SER 49 10.000% * 0.2385% (0.19 1.0 0.02 0.02) = 0.239% HN ASN 89 - HA VAL 105 10.000% * 0.1747% (0.14 1.0 0.02 0.02) = 0.175% HN ALA 91 - HB3 SER 49 10.000% * 0.0778% (0.06 1.0 0.02 0.02) = 0.078% HN ALA 91 - HA VAL 105 10.000% * 0.0365% (0.03 1.0 0.02 0.02) = 0.037% Not enough quality. Peak unassigned. Peak 366 (8.07, 4.01, 62.55 ppm): 1 chemical-shift based assignment, quality = 0.638, support = 2.16, residual support = 6.77: HN ASN 15 - HA VAL 13 100.000% *100.0000% (0.64 2.16 6.77) = 100.000% kept Peak 367 (7.80, 4.16, 62.61 ppm): 16 chemical-shift based assignments, quality = 0.312, support = 3.26, residual support = 17.6: O HN VAL 87 - HA VAL 87 6.250% * 85.4295% (0.29 10.0 3.69 20.58) = 85.429% kept HN ALA 93 - HB3 SER 49 6.250% * 8.3268% (0.51 1.0 1.11 0.58) = 8.327% kept HN VAL 87 - HB3 SER 49 6.250% * 2.4182% (0.48 1.0 0.34 0.02) = 2.418% kept HN THR 46 - HB3 SER 49 6.250% * 2.3456% (0.46 1.0 0.35 0.02) = 2.346% kept HN ALA 93 - HA VAL 105 6.250% * 0.2639% (0.90 1.0 0.02 0.02) = 0.264% HN VAL 87 - HA VAL 105 6.250% * 0.2480% (0.84 1.0 0.02 0.02) = 0.248% HN THR 46 - HA VAL 105 6.250% * 0.2388% (0.81 1.0 0.02 0.44) = 0.239% HN LYS+ 55 - HA VAL 105 6.250% * 0.1734% (0.59 1.0 0.02 0.02) = 0.173% HN LYS+ 55 - HB3 SER 49 6.250% * 0.0984% (0.33 1.0 0.02 0.02) = 0.098% HN ALA 93 - HA VAL 87 6.250% * 0.0909% (0.31 1.0 0.02 0.02) = 0.091% HN THR 46 - HA VAL 87 6.250% * 0.0823% (0.28 1.0 0.02 0.02) = 0.082% HN ALA 93 - HA VAL 73 6.250% * 0.0641% (0.22 1.0 0.02 0.02) = 0.064% HN VAL 87 - HA VAL 73 6.250% * 0.0603% (0.20 1.0 0.02 0.02) = 0.060% HN LYS+ 55 - HA VAL 87 6.250% * 0.0597% (0.20 1.0 0.02 0.02) = 0.060% HN THR 46 - HA VAL 73 6.250% * 0.0580% (0.20 1.0 0.02 0.02) = 0.058% HN LYS+ 55 - HA VAL 73 6.250% * 0.0421% (0.14 1.0 0.02 0.02) = 0.042% Peak 368 (7.58, 0.70, 21.22 ppm): 4 chemical-shift based assignments, quality = 0.296, support = 0.703, residual support = 0.729: HN VAL 65 - QG2 THR 96 25.000% * 93.6088% (0.29 0.75 0.78) = 93.609% kept HN LYS+ 78 - QG2 THR 96 25.000% * 3.1733% (0.37 0.02 0.02) = 3.173% kept HD21 ASN 15 - QG2 THR 96 25.000% * 2.7526% (0.32 0.02 0.02) = 2.753% kept HN ASP- 25 - QG2 THR 96 25.000% * 0.4652% (0.05 0.02 0.02) = 0.465% Peak 372 (4.33, 0.92, 21.14 ppm): 4 chemical-shift based assignments, quality = 0.161, support = 0.02, residual support = 0.02: T HA ILE 29 - QG2 VAL 105 25.000% * 44.5433% (0.05 10.00 0.02 0.02) = 44.543% kept HA ALA 93 - QG2 VAL 87 25.000% * 29.6384% (0.32 1.00 0.02 0.02) = 29.638% kept HA ILE 29 - QG2 VAL 87 25.000% * 18.7936% (0.20 1.00 0.02 0.02) = 18.794% kept HA ALA 93 - QG2 VAL 105 25.000% * 7.0247% (0.08 1.00 0.02 0.02) = 7.025% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 374 (4.17, 4.16, 62.60 ppm): 4 diagonal assignments: HA VAL 105 - HA VAL 105 (0.92) kept HB3 SER 49 - HB3 SER 49 (0.50) 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 = 0.226, support = 2.33, residual support = 13.5: O T HA VAL 13 - QG2 VAL 13 12.500% * 72.6643% (0.17 10.0 10.00 2.21 11.76) = 72.664% kept HB THR 95 - QG1 VAL 94 12.500% * 24.1815% (0.38 1.0 1.00 2.97 20.34) = 24.182% kept T HA VAL 13 - QG1 VAL 94 12.500% * 1.9259% (0.44 1.0 10.00 0.02 0.02) = 1.926% kept HA THR 38 - QG1 VAL 94 12.500% * 1.0317% (0.44 1.0 1.00 0.11 0.02) = 1.032% kept HA THR 38 - QG2 VAL 13 12.500% * 0.0727% (0.17 1.0 1.00 0.02 0.02) = 0.073% HB THR 95 - QG2 VAL 13 12.500% * 0.0615% (0.14 1.0 1.00 0.02 0.02) = 0.062% HA1 GLY 92 - QG1 VAL 94 12.500% * 0.0453% (0.10 1.0 1.00 0.02 0.02) = 0.045% HA1 GLY 92 - QG2 VAL 13 12.500% * 0.0171% (0.04 1.0 1.00 0.02 0.02) = 0.017% Peak 386 (3.45, 0.70, 21.19 ppm): 6 chemical-shift based assignments, quality = 0.202, support = 0.902, residual support = 0.861: T HA ILE 48 - QG2 THR 96 16.667% * 64.5790% (0.15 10.00 1.27 1.32) = 64.579% kept T HA VAL 40 - QG2 THR 96 16.667% * 29.7282% (0.32 10.00 0.26 0.02) = 29.728% kept HD3 PRO 31 - QG2 THR 96 16.667% * 2.2661% (0.25 1.00 0.26 0.02) = 2.266% kept T HA VAL 62 - QG2 THR 96 16.667% * 1.8228% (0.26 10.00 0.02 0.02) = 1.823% kept T HA1 GLY 71 - QG2 THR 96 16.667% * 1.3807% (0.20 10.00 0.02 0.02) = 1.381% kept HA VAL 80 - QG2 THR 96 16.667% * 0.2231% (0.32 1.00 0.02 0.02) = 0.223% Peak 389 (2.13, 4.15, 62.59 ppm): 48 chemical-shift based assignments, quality = 0.532, support = 1.13, residual support = 4.24: O HB VAL 105 - HA VAL 105 2.083% * 36.5393% (0.81 10.0 1.00 1.50 1.88) = 36.539% kept T HG2 GLU- 45 - HB3 SER 49 2.083% * 20.3129% (0.53 1.0 10.00 1.28 3.80) = 20.313% kept O T HB VAL 87 - HA VAL 87 2.083% * 12.1708% (0.20 10.0 10.00 1.31 20.58) = 12.171% kept T HB3 GLU- 75 - HB3 SER 49 2.083% * 8.3157% (0.44 1.0 10.00 0.62 0.27) = 8.316% kept T HG3 GLU- 64 - HB3 SER 49 2.083% * 7.0505% (0.51 1.0 10.00 0.46 2.10) = 7.051% kept T HG2 GLU- 64 - HB3 SER 49 2.083% * 4.9547% (0.35 1.0 10.00 0.47 2.10) = 4.955% kept T HB3 GLU- 75 - HA VAL 73 2.083% * 3.6918% (0.13 1.0 10.00 0.92 0.02) = 3.692% kept T HB3 GLU- 75 - HA VAL 87 2.083% * 3.3127% (0.26 1.0 10.00 0.42 0.02) = 3.313% kept T HB3 PRO 35 - HA VAL 73 2.083% * 1.4273% (0.07 1.0 10.00 0.70 0.14) = 1.427% kept T HB3 GLU- 75 - HA VAL 105 2.083% * 0.4514% (0.75 1.0 10.00 0.02 0.02) = 0.451% T HB VAL 87 - HA VAL 105 2.083% * 0.3514% (0.58 1.0 10.00 0.02 0.02) = 0.351% T HB3 PRO 35 - HA VAL 105 2.083% * 0.2300% (0.38 1.0 10.00 0.02 0.02) = 0.230% T HB VAL 87 - HB3 SER 49 2.083% * 0.2074% (0.34 1.0 10.00 0.02 0.02) = 0.207% T HB3 PRO 35 - HB3 SER 49 2.083% * 0.1357% (0.23 1.0 10.00 0.02 0.02) = 0.136% T HB VAL 47 - HB3 SER 49 2.083% * 0.1093% (0.18 1.0 10.00 0.02 0.12) = 0.109% T HB3 PRO 35 - HA VAL 87 2.083% * 0.0797% (0.13 1.0 10.00 0.02 0.02) = 0.080% HA1 GLY 58 - HB3 SER 49 2.083% * 0.0695% (0.13 1.0 1.00 0.18 0.02) = 0.069% T HB VAL 87 - HA VAL 73 2.083% * 0.0624% (0.10 1.0 10.00 0.02 0.02) = 0.062% HG2 GLU- 45 - HA VAL 105 2.083% * 0.0538% (0.89 1.0 1.00 0.02 0.23) = 0.054% HG3 GLU- 64 - HA VAL 105 2.083% * 0.0522% (0.87 1.0 1.00 0.02 0.02) = 0.052% HB2 ASP- 28 - HA VAL 105 2.083% * 0.0501% (0.83 1.0 1.00 0.02 0.02) = 0.050% HG2 GLU- 64 - HA VAL 105 2.083% * 0.0358% (0.59 1.0 1.00 0.02 0.02) = 0.036% HB2 ASP- 28 - HB3 SER 49 2.083% * 0.0296% (0.49 1.0 1.00 0.02 0.02) = 0.030% HB VAL 105 - HB3 SER 49 2.083% * 0.0287% (0.48 1.0 1.00 0.02 0.02) = 0.029% HB3 LYS+ 78 - HA VAL 105 2.083% * 0.0264% (0.44 1.0 1.00 0.02 0.02) = 0.026% HB3 LEU 43 - HA VAL 105 2.083% * 0.0223% (0.37 1.0 1.00 0.02 0.02) = 0.022% HG2 GLU- 45 - HA VAL 87 2.083% * 0.0186% (0.31 1.0 1.00 0.02 0.11) = 0.019% HB VAL 47 - HA VAL 105 2.083% * 0.0185% (0.31 1.0 1.00 0.02 0.02) = 0.019% HG3 GLU- 64 - HA VAL 87 2.083% * 0.0181% (0.30 1.0 1.00 0.02 0.02) = 0.018% HB2 ASP- 28 - HA VAL 87 2.083% * 0.0174% (0.29 1.0 1.00 0.02 0.02) = 0.017% HB VAL 105 - HA VAL 87 2.083% * 0.0169% (0.28 1.0 1.00 0.02 0.02) = 0.017% HB3 LYS+ 78 - HB3 SER 49 2.083% * 0.0156% (0.26 1.0 1.00 0.02 0.02) = 0.016% HB3 LEU 43 - HB3 SER 49 2.083% * 0.0132% (0.22 1.0 1.00 0.02 0.02) = 0.013% HA1 GLY 58 - HA VAL 105 2.083% * 0.0130% (0.22 1.0 1.00 0.02 0.02) = 0.013% HG2 GLU- 64 - HA VAL 87 2.083% * 0.0124% (0.21 1.0 1.00 0.02 0.02) = 0.012% HG2 GLU- 45 - HA VAL 73 2.083% * 0.0096% (0.16 1.0 1.00 0.02 2.08) = 0.010% HG3 GLU- 64 - HA VAL 73 2.083% * 0.0093% (0.15 1.0 1.00 0.02 0.02) = 0.009% HB3 LYS+ 78 - HA VAL 87 2.083% * 0.0092% (0.15 1.0 1.00 0.02 0.02) = 0.009% HB2 ASP- 28 - HA VAL 73 2.083% * 0.0089% (0.15 1.0 1.00 0.02 0.02) = 0.009% HB VAL 105 - HA VAL 73 2.083% * 0.0086% (0.14 1.0 1.00 0.02 0.02) = 0.009% HB3 LEU 43 - HA VAL 87 2.083% * 0.0077% (0.13 1.0 1.00 0.02 0.02) = 0.008% HB VAL 47 - HA VAL 87 2.083% * 0.0064% (0.11 1.0 1.00 0.02 0.02) = 0.006% HG2 GLU- 64 - HA VAL 73 2.083% * 0.0063% (0.11 1.0 1.00 0.02 0.02) = 0.006% HB3 LYS+ 78 - HA VAL 73 2.083% * 0.0047% (0.08 1.0 1.00 0.02 0.02) = 0.005% HA1 GLY 58 - HA VAL 87 2.083% * 0.0045% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB3 LEU 43 - HA VAL 73 2.083% * 0.0040% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB VAL 47 - HA VAL 73 2.083% * 0.0033% (0.05 1.0 1.00 0.02 0.02) = 0.003% HA1 GLY 58 - HA VAL 73 2.083% * 0.0023% (0.04 1.0 1.00 0.02 0.02) = 0.002% Peak 390 (2.04, 4.13, 62.49 ppm): 26 chemical-shift based assignments, quality = 0.26, support = 0.638, residual support = 2.17: T HB2 GLU- 45 - HB3 SER 49 3.846% * 46.6419% (0.35 10.00 0.72 3.80) = 46.642% kept T HB3 GLU- 75 - HB3 SER 49 3.846% * 28.8013% (0.25 10.00 0.62 0.27) = 28.801% kept T HG3 GLU- 64 - HB3 SER 49 3.846% * 9.5609% (0.11 10.00 0.46 2.10) = 9.561% kept T HB3 GLU- 107 - HB3 SER 49 3.846% * 4.2615% (0.06 10.00 0.36 0.02) = 4.261% kept T HB3 GLU- 54 - HB3 SER 49 3.846% * 4.2591% (0.18 10.00 0.13 0.02) = 4.259% kept HB ILE 101 - HB3 SER 49 3.846% * 2.9738% (0.08 1.00 1.98 3.93) = 2.974% kept T HB3 GLU- 45 - HB3 SER 49 3.846% * 0.7083% (0.19 10.00 0.02 3.80) = 0.708% T HB3 GLU- 75 - HA VAL 105 3.846% * 0.6820% (0.18 10.00 0.02 0.02) = 0.682% HG3 PRO 86 - HB3 SER 49 3.846% * 0.5151% (0.36 1.00 0.08 0.02) = 0.515% T HB3 GLU- 10 - HB3 SER 49 3.846% * 0.5053% (0.14 10.00 0.02 0.02) = 0.505% T HB3 PRO 35 - HB3 SER 49 3.846% * 0.2048% (0.06 10.00 0.02 0.02) = 0.205% HA1 GLY 58 - HB3 SER 49 3.846% * 0.1737% (0.05 1.00 0.18 0.02) = 0.174% T HB3 PRO 35 - HA VAL 105 3.846% * 0.1514% (0.04 10.00 0.02 0.02) = 0.151% HG3 PRO 86 - HA VAL 105 3.846% * 0.0976% (0.26 1.00 0.02 0.02) = 0.098% HB2 GLU- 45 - HA VAL 105 3.846% * 0.0961% (0.26 1.00 0.02 0.23) = 0.096% HB3 GLU- 45 - HA VAL 105 3.846% * 0.0524% (0.14 1.00 0.02 0.23) = 0.052% HB3 GLU- 54 - HA VAL 105 3.846% * 0.0484% (0.13 1.00 0.02 0.02) = 0.048% HB3 PRO 31 - HB3 SER 49 3.846% * 0.0416% (0.11 1.00 0.02 0.02) = 0.042% HB VAL 62 - HB3 SER 49 3.846% * 0.0416% (0.11 1.00 0.02 0.02) = 0.042% HB3 GLU- 10 - HA VAL 105 3.846% * 0.0374% (0.10 1.00 0.02 0.02) = 0.037% HG3 GLU- 64 - HA VAL 105 3.846% * 0.0309% (0.08 1.00 0.02 0.02) = 0.031% HB VAL 62 - HA VAL 105 3.846% * 0.0307% (0.08 1.00 0.02 0.02) = 0.031% HB3 PRO 31 - HA VAL 105 3.846% * 0.0307% (0.08 1.00 0.02 0.02) = 0.031% HB ILE 101 - HA VAL 105 3.846% * 0.0222% (0.06 1.00 0.02 0.02) = 0.022% HB3 GLU- 107 - HA VAL 105 3.846% * 0.0174% (0.05 1.00 0.02 0.02) = 0.017% HA1 GLY 58 - HA VAL 105 3.846% * 0.0142% (0.04 1.00 0.02 0.02) = 0.014% Peak 391 (2.05, 0.91, 21.27 ppm): 39 chemical-shift based assignments, quality = 0.613, support = 0.995, residual support = 3.68: T HG3 PRO 86 - QG2 VAL 87 2.564% * 74.5410% (0.69 10.00 1.22 4.93) = 74.541% kept T HB3 GLU- 75 - QG2 VAL 87 2.564% * 17.1792% (0.50 10.00 0.39 0.02) = 17.179% kept T HB3 GLU- 75 - QG2 VAL 80 2.564% * 3.9763% (0.19 10.00 0.24 0.02) = 3.976% kept HB2 GLU- 45 - QG2 VAL 105 2.564% * 1.6296% (0.30 1.00 0.62 0.23) = 1.630% kept T HG3 PRO 86 - QG2 VAL 105 2.564% * 0.5206% (0.29 10.00 0.02 0.02) = 0.521% T HG3 PRO 86 - QG2 VAL 80 2.564% * 0.4593% (0.26 10.00 0.02 0.02) = 0.459% T HB3 GLU- 75 - QG2 VAL 105 2.564% * 0.3752% (0.21 10.00 0.02 0.02) = 0.375% T HB3 PRO 35 - QG2 VAL 87 2.564% * 0.1955% (0.11 10.00 0.02 0.02) = 0.196% T HB VAL 62 - QG2 VAL 105 2.564% * 0.1840% (0.10 10.00 0.02 0.02) = 0.184% HB2 GLU- 45 - QG2 VAL 87 2.564% * 0.1242% (0.70 1.00 0.02 0.11) = 0.124% T HB3 PRO 35 - QG2 VAL 105 2.564% * 0.0832% (0.05 10.00 0.02 0.02) = 0.083% T HB3 PRO 35 - QG2 VAL 80 2.564% * 0.0734% (0.04 10.00 0.02 0.02) = 0.073% HB3 GLU- 45 - QG2 VAL 87 2.564% * 0.0617% (0.35 1.00 0.02 0.11) = 0.062% HB3 GLU- 54 - QG2 VAL 87 2.564% * 0.0568% (0.32 1.00 0.02 0.02) = 0.057% HB2 GLU- 45 - QG2 VAL 80 2.564% * 0.0467% (0.26 1.00 0.02 0.35) = 0.047% HB3 GLU- 10 - QG2 VAL 87 2.564% * 0.0432% (0.24 1.00 0.02 0.02) = 0.043% HB VAL 62 - QG2 VAL 87 2.564% * 0.0432% (0.24 1.00 0.02 0.02) = 0.043% HG3 GLU- 64 - QG2 VAL 87 2.564% * 0.0402% (0.23 1.00 0.02 0.02) = 0.040% HB3 PRO 31 - QG2 VAL 87 2.564% * 0.0352% (0.20 1.00 0.02 0.02) = 0.035% HB ILE 101 - QG2 VAL 87 2.564% * 0.0316% (0.18 1.00 0.02 0.02) = 0.032% HB3 GLU- 45 - QG2 VAL 105 2.564% * 0.0263% (0.15 1.00 0.02 0.23) = 0.026% HB3 GLU- 54 - QG2 VAL 105 2.564% * 0.0242% (0.14 1.00 0.02 0.02) = 0.024% HB3 GLU- 45 - QG2 VAL 80 2.564% * 0.0232% (0.13 1.00 0.02 0.35) = 0.023% HB3 GLU- 54 - QG2 VAL 80 2.564% * 0.0213% (0.12 1.00 0.02 0.02) = 0.021% HB3 GLU- 107 - QG2 VAL 87 2.564% * 0.0196% (0.11 1.00 0.02 0.02) = 0.020% HB3 GLU- 10 - QG2 VAL 105 2.564% * 0.0184% (0.10 1.00 0.02 0.02) = 0.018% HA1 GLY 58 - QG2 VAL 87 2.564% * 0.0182% (0.10 1.00 0.02 0.02) = 0.018% HG3 GLU- 64 - QG2 VAL 105 2.564% * 0.0171% (0.10 1.00 0.02 0.02) = 0.017% HB3 GLU- 10 - QG2 VAL 80 2.564% * 0.0162% (0.09 1.00 0.02 0.02) = 0.016% HB VAL 62 - QG2 VAL 80 2.564% * 0.0162% (0.09 1.00 0.02 0.02) = 0.016% HG3 GLU- 64 - QG2 VAL 80 2.564% * 0.0151% (0.09 1.00 0.02 0.02) = 0.015% HB3 PRO 31 - QG2 VAL 105 2.564% * 0.0150% (0.08 1.00 0.02 0.02) = 0.015% HB ILE 101 - QG2 VAL 105 2.564% * 0.0135% (0.08 1.00 0.02 0.02) = 0.013% HB3 PRO 31 - QG2 VAL 80 2.564% * 0.0132% (0.07 1.00 0.02 0.02) = 0.013% HB ILE 101 - QG2 VAL 80 2.564% * 0.0119% (0.07 1.00 0.02 0.02) = 0.012% HB3 GLU- 107 - QG2 VAL 105 2.564% * 0.0083% (0.05 1.00 0.02 0.02) = 0.008% HA1 GLY 58 - QG2 VAL 105 2.564% * 0.0077% (0.04 1.00 0.02 0.02) = 0.008% HB3 GLU- 107 - QG2 VAL 80 2.564% * 0.0073% (0.04 1.00 0.02 0.02) = 0.007% HA1 GLY 58 - QG2 VAL 80 2.564% * 0.0068% (0.04 1.00 0.02 0.02) = 0.007% Peak 392 (2.02, 0.70, 21.32 ppm): 22 chemical-shift based assignments, quality = 0.326, support = 0.591, residual support = 0.336: T HB3 PRO 31 - QG2 THR 96 4.545% * 38.6285% (0.63 10.00 0.26 0.02) = 38.629% kept T HB3 GLU- 75 - QG2 VAL 94 4.545% * 22.8633% (0.07 10.00 1.34 0.51) = 22.863% kept T HB3 PRO 31 - QG2 VAL 94 4.545% * 15.5727% (0.17 10.00 0.39 0.02) = 15.573% kept T HB3 GLU- 75 - QG2 THR 96 4.545% * 11.4460% (0.26 10.00 0.18 0.02) = 11.446% kept HB2 GLU- 18 - QG2 VAL 94 4.545% * 6.2479% (0.17 1.00 1.55 3.18) = 6.248% kept HG3 GLU- 64 - QG2 THR 96 4.545% * 1.1265% (0.10 1.00 0.47 0.73) = 1.127% kept HB3 GLU- 10 - QG2 VAL 94 4.545% * 0.8925% (0.16 1.00 0.24 0.02) = 0.893% HB3 GLU- 45 - QG2 VAL 94 4.545% * 0.5689% (0.13 1.00 0.18 0.02) = 0.569% HB3 GLU- 107 - QG2 VAL 94 4.545% * 0.4547% (0.18 1.00 0.10 0.02) = 0.455% HB3 GLU- 107 - QG2 THR 96 4.545% * 0.3205% (0.68 1.00 0.02 0.02) = 0.321% HB2 GLU- 18 - QG2 THR 96 4.545% * 0.2966% (0.63 1.00 0.02 0.02) = 0.297% HB3 GLU- 10 - QG2 THR 96 4.545% * 0.2787% (0.59 1.00 0.02 0.02) = 0.279% HB2 HIS+ 14 - QG2 THR 96 4.545% * 0.2683% (0.57 1.00 0.02 0.02) = 0.268% HB3 GLU- 54 - QG2 THR 96 4.545% * 0.2455% (0.52 1.00 0.02 0.02) = 0.246% HG2 PRO 86 - QG2 THR 96 4.545% * 0.2455% (0.52 1.00 0.02 4.49) = 0.246% HB3 GLU- 45 - QG2 THR 96 4.545% * 0.2333% (0.49 1.00 0.02 0.02) = 0.233% HB2 HIS+ 14 - QG2 VAL 94 4.545% * 0.0731% (0.15 1.00 0.02 0.02) = 0.073% HG3 PRO 86 - QG2 THR 96 4.545% * 0.0715% (0.15 1.00 0.02 4.49) = 0.072% HB3 GLU- 54 - QG2 VAL 94 4.545% * 0.0668% (0.14 1.00 0.02 0.02) = 0.067% HG2 PRO 86 - QG2 VAL 94 4.545% * 0.0668% (0.14 1.00 0.02 0.02) = 0.067% HG3 PRO 86 - QG2 VAL 94 4.545% * 0.0195% (0.04 1.00 0.02 0.02) = 0.019% HG3 GLU- 64 - QG2 VAL 94 4.545% * 0.0129% (0.03 1.00 0.02 0.02) = 0.013% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 393 (1.98, 4.18, 62.64 ppm): 32 chemical-shift based assignments, quality = 0.315, support = 2.23, residual support = 14.7: O HB VAL 73 - HA VAL 73 3.125% * 67.3041% (0.33 10.0 1.00 2.80 19.96) = 67.304% kept HG3 PRO 104 - HA VAL 105 3.125% * 12.0484% (0.62 1.0 1.00 1.90 10.10) = 12.048% kept T HB3 GLU- 75 - HA VAL 73 3.125% * 6.4071% (0.07 1.0 10.00 0.92 0.02) = 6.407% kept T HB3 GLU- 75 - HB3 SER 49 3.125% * 5.2347% (0.08 1.0 10.00 0.62 0.27) = 5.235% kept T HB2 HIS+ 14 - HB3 SER 49 3.125% * 5.2231% (0.15 1.0 10.00 0.34 0.02) = 5.223% kept T HB3 GLU- 75 - HA VAL 87 3.125% * 1.3971% (0.03 1.0 10.00 0.42 0.02) = 1.397% kept T HB VAL 73 - HB3 SER 49 3.125% * 0.8115% (0.40 1.0 10.00 0.02 0.02) = 0.812% T HB3 GLU- 75 - HA VAL 105 3.125% * 0.2379% (0.12 1.0 10.00 0.02 0.02) = 0.238% T HB2 GLU- 18 - HB3 SER 49 3.125% * 0.2212% (0.11 1.0 10.00 0.02 0.02) = 0.221% HB2 LYS+ 108 - HA VAL 105 3.125% * 0.1555% (0.76 1.0 1.00 0.02 0.02) = 0.155% HB VAL 73 - HA VAL 105 3.125% * 0.1152% (0.57 1.0 1.00 0.02 0.02) = 0.115% HB2 LYS+ 108 - HB3 SER 49 3.125% * 0.1095% (0.54 1.0 1.00 0.02 0.02) = 0.110% HB2 LYS+ 108 - HA VAL 73 3.125% * 0.0909% (0.45 1.0 1.00 0.02 0.02) = 0.091% HG3 PRO 104 - HB3 SER 49 3.125% * 0.0895% (0.44 1.0 1.00 0.02 0.02) = 0.089% HG3 PRO 104 - HA VAL 73 3.125% * 0.0742% (0.36 1.0 1.00 0.02 0.02) = 0.074% HG2 PRO 86 - HA VAL 105 3.125% * 0.0541% (0.27 1.0 1.00 0.02 0.02) = 0.054% HB2 HIS+ 14 - HA VAL 105 3.125% * 0.0441% (0.22 1.0 1.00 0.02 0.02) = 0.044% HB2 LYS+ 108 - HA VAL 87 3.125% * 0.0431% (0.21 1.0 1.00 0.02 0.02) = 0.043% HG2 PRO 86 - HB3 SER 49 3.125% * 0.0381% (0.19 1.0 1.00 0.02 0.02) = 0.038% HB VAL 13 - HA VAL 105 3.125% * 0.0353% (0.17 1.0 1.00 0.02 0.02) = 0.035% HG3 PRO 104 - HA VAL 87 3.125% * 0.0352% (0.17 1.0 1.00 0.02 0.02) = 0.035% HB VAL 73 - HA VAL 87 3.125% * 0.0319% (0.16 1.0 1.00 0.02 0.02) = 0.032% HG2 PRO 86 - HA VAL 73 3.125% * 0.0316% (0.16 1.0 1.00 0.02 0.02) = 0.032% HB2 GLU- 18 - HA VAL 105 3.125% * 0.0314% (0.15 1.0 1.00 0.02 0.02) = 0.031% HB2 HIS+ 14 - HA VAL 73 3.125% * 0.0258% (0.13 1.0 1.00 0.02 0.02) = 0.026% HB VAL 13 - HB3 SER 49 3.125% * 0.0249% (0.12 1.0 1.00 0.02 0.02) = 0.025% HB VAL 13 - HA VAL 73 3.125% * 0.0206% (0.10 1.0 1.00 0.02 0.02) = 0.021% HB2 GLU- 18 - HA VAL 73 3.125% * 0.0183% (0.09 1.0 1.00 0.02 0.16) = 0.018% HG2 PRO 86 - HA VAL 87 3.125% * 0.0150% (0.07 1.0 1.00 0.02 4.93) = 0.015% HB2 HIS+ 14 - HA VAL 87 3.125% * 0.0122% (0.06 1.0 1.00 0.02 0.02) = 0.012% HB VAL 13 - HA VAL 87 3.125% * 0.0098% (0.05 1.0 1.00 0.02 0.02) = 0.010% HB2 GLU- 18 - HA VAL 87 3.125% * 0.0087% (0.04 1.0 1.00 0.02 0.02) = 0.009% Peak 394 (1.97, 4.00, 62.56 ppm): 6 chemical-shift based assignments, quality = 0.488, support = 2.27, residual support = 11.5: O T HB VAL 13 - HA VAL 13 16.667% * 98.1812% (0.49 10.0 10.00 2.31 11.76) = 98.181% kept T HB2 LYS+ 108 - HA VAL 13 16.667% * 1.0472% (0.52 1.0 10.00 0.02 0.02) = 1.047% kept T HB3 LYS+ 55 - HA VAL 13 16.667% * 0.4036% (0.20 1.0 10.00 0.02 0.02) = 0.404% HG3 PRO 104 - HA VAL 13 16.667% * 0.1615% (0.81 1.0 1.00 0.02 0.02) = 0.162% HB VAL 73 - HA VAL 13 16.667% * 0.1615% (0.81 1.0 1.00 0.02 0.02) = 0.162% HG3 PRO 31 - HA VAL 13 16.667% * 0.0450% (0.23 1.0 1.00 0.02 0.02) = 0.045% Peak 396 (1.64, 4.15, 62.61 ppm): 32 chemical-shift based assignments, quality = 0.413, support = 1.44, residual support = 2.53: HB ILE 68 - HA VAL 105 3.125% * 28.4358% (0.65 1.35 2.25) = 28.436% kept HB ILE 68 - HB3 SER 49 3.125% * 24.9812% (0.41 1.87 2.61) = 24.981% kept HG12 ILE 101 - HB3 SER 49 3.125% * 22.5457% (0.43 1.60 3.93) = 22.546% kept HB ILE 68 - HA VAL 73 3.125% * 7.6300% (0.13 1.75 2.96) = 7.630% kept HB ILE 100 - HB3 SER 49 3.125% * 5.0413% (0.11 1.38 2.09) = 5.041% kept HB3 LYS+ 66 - HB3 SER 49 3.125% * 2.5551% (0.13 0.62 0.64) = 2.555% kept HG LEU 43 - HA VAL 87 3.125% * 2.0703% (0.26 0.24 0.02) = 2.070% kept HG LEU 43 - HB3 SER 49 3.125% * 1.3677% (0.41 0.10 0.02) = 1.368% kept HB3 LYS+ 66 - HA VAL 73 3.125% * 0.9789% (0.04 0.73 0.02) = 0.979% HG LEU 23 - HA VAL 105 3.125% * 0.4862% (0.74 0.02 0.11) = 0.486% HG12 ILE 101 - HA VAL 105 3.125% * 0.4449% (0.68 0.02 0.02) = 0.445% HG LEU 43 - HA VAL 105 3.125% * 0.4227% (0.65 0.02 0.02) = 0.423% HB3 ARG+ 22 - HA VAL 105 3.125% * 0.4227% (0.65 0.02 0.13) = 0.423% HG LEU 23 - HB3 SER 49 3.125% * 0.3074% (0.47 0.02 0.02) = 0.307% HB3 ARG+ 22 - HB3 SER 49 3.125% * 0.2673% (0.41 0.02 0.02) = 0.267% HG3 LYS+ 78 - HA VAL 105 3.125% * 0.2610% (0.40 0.02 0.02) = 0.261% HG LEU 23 - HA VAL 87 3.125% * 0.1975% (0.30 0.02 0.02) = 0.198% HG12 ILE 101 - HA VAL 87 3.125% * 0.1807% (0.28 0.02 0.02) = 0.181% HB ILE 68 - HA VAL 87 3.125% * 0.1717% (0.26 0.02 0.02) = 0.172% HB3 ARG+ 22 - HA VAL 87 3.125% * 0.1717% (0.26 0.02 0.02) = 0.172% HG3 LYS+ 78 - HB3 SER 49 3.125% * 0.1650% (0.25 0.02 0.02) = 0.165% HB3 LYS+ 66 - HA VAL 105 3.125% * 0.1296% (0.20 0.02 0.02) = 0.130% HB ILE 100 - HA VAL 105 3.125% * 0.1152% (0.18 0.02 0.02) = 0.115% HG3 LYS+ 78 - HA VAL 87 3.125% * 0.1060% (0.16 0.02 0.02) = 0.106% HG LEU 23 - HA VAL 73 3.125% * 0.1005% (0.15 0.02 0.02) = 0.100% HG12 ILE 101 - HA VAL 73 3.125% * 0.0919% (0.14 0.02 0.02) = 0.092% HG LEU 43 - HA VAL 73 3.125% * 0.0873% (0.13 0.02 0.02) = 0.087% HB3 ARG+ 22 - HA VAL 73 3.125% * 0.0873% (0.13 0.02 0.02) = 0.087% HG3 LYS+ 78 - HA VAL 73 3.125% * 0.0539% (0.08 0.02 0.02) = 0.054% HB3 LYS+ 66 - HA VAL 87 3.125% * 0.0526% (0.08 0.02 0.02) = 0.053% HB ILE 100 - HA VAL 87 3.125% * 0.0468% (0.07 0.02 0.02) = 0.047% HB ILE 100 - HA VAL 73 3.125% * 0.0238% (0.04 0.02 0.02) = 0.024% Peak 409 (0.92, 4.16, 62.64 ppm): 52 chemical-shift based assignments, quality = 0.638, support = 2.22, residual support = 4.09: O QG2 VAL 105 - HA VAL 105 1.923% * 43.8964% (0.75 10.0 2.41 1.88) = 43.896% kept O QG1 VAL 105 - HA VAL 105 1.923% * 29.7727% (0.68 10.0 1.50 1.88) = 29.773% kept HG12 ILE 68 - HA VAL 105 1.923% * 6.8190% (0.92 1.0 2.54 2.25) = 6.819% kept O QG2 VAL 87 - HA VAL 87 1.923% * 6.7158% (0.12 10.0 3.45 20.58) = 6.716% kept O QG2 VAL 73 - HA VAL 73 1.923% * 4.9911% (0.09 10.0 3.07 19.96) = 4.991% kept HG12 ILE 68 - HB3 SER 49 1.923% * 3.5396% (0.59 1.0 2.06 2.61) = 3.540% kept HG12 ILE 68 - HA VAL 73 1.923% * 2.7009% (0.30 1.0 3.07 2.96) = 2.701% kept QD1 LEU 67 - HA VAL 105 1.923% * 0.8234% (0.39 1.0 0.73 0.02) = 0.823% QG2 VAL 80 - HA VAL 105 1.923% * 0.0543% (0.93 1.0 0.02 0.02) = 0.054% HB2 ARG+ 84 - HA VAL 105 1.923% * 0.0458% (0.79 1.0 0.02 0.02) = 0.046% QD1 LEU 17 - HA VAL 105 1.923% * 0.0419% (0.72 1.0 0.02 0.02) = 0.042% QG2 VAL 80 - HB3 SER 49 1.923% * 0.0347% (0.60 1.0 0.02 0.02) = 0.035% HB2 ARG+ 84 - HB3 SER 49 1.923% * 0.0293% (0.50 1.0 0.02 0.02) = 0.029% QG2 VAL 105 - HB3 SER 49 1.923% * 0.0281% (0.48 1.0 0.02 0.02) = 0.028% QD1 LEU 17 - HB3 SER 49 1.923% * 0.0268% (0.46 1.0 0.02 0.02) = 0.027% QG1 VAL 105 - HB3 SER 49 1.923% * 0.0255% (0.44 1.0 0.02 0.02) = 0.025% QG2 VAL 80 - HA VAL 87 1.923% * 0.0239% (0.41 1.0 0.02 0.02) = 0.024% HG12 ILE 68 - HA VAL 87 1.923% * 0.0237% (0.41 1.0 0.02 0.02) = 0.024% QG2 VAL 62 - HA VAL 105 1.923% * 0.0206% (0.35 1.0 0.02 0.02) = 0.021% HB2 ARG+ 84 - HA VAL 87 1.923% * 0.0202% (0.35 1.0 0.02 0.02) = 0.020% QG2 VAL 105 - HA VAL 87 1.923% * 0.0193% (0.33 1.0 0.02 0.02) = 0.019% QG1 VAL 47 - HA VAL 105 1.923% * 0.0187% (0.32 1.0 0.02 0.02) = 0.019% QD1 LEU 17 - HA VAL 87 1.923% * 0.0185% (0.32 1.0 0.02 0.02) = 0.018% QG2 VAL 80 - HA VAL 73 1.923% * 0.0178% (0.31 1.0 0.02 0.02) = 0.018% QG1 VAL 105 - HA VAL 87 1.923% * 0.0175% (0.30 1.0 0.02 0.02) = 0.018% QG2 VAL 73 - HA VAL 105 1.923% * 0.0152% (0.26 1.0 0.02 0.02) = 0.015% QG2 VAL 87 - HA VAL 105 1.923% * 0.0152% (0.26 1.0 0.02 0.02) = 0.015% QG2 VAL 40 - HA VAL 105 1.923% * 0.0152% (0.26 1.0 0.02 0.02) = 0.015% HB2 ARG+ 84 - HA VAL 73 1.923% * 0.0150% (0.26 1.0 0.02 0.02) = 0.015% QD1 LEU 67 - HB3 SER 49 1.923% * 0.0144% (0.25 1.0 0.02 0.02) = 0.014% QG2 VAL 105 - HA VAL 73 1.923% * 0.0144% (0.25 1.0 0.02 0.02) = 0.014% QD1 LEU 17 - HA VAL 73 1.923% * 0.0137% (0.24 1.0 0.02 0.21) = 0.014% QG2 ILE 29 - HA VAL 105 1.923% * 0.0137% (0.23 1.0 0.02 0.02) = 0.014% QG2 VAL 62 - HB3 SER 49 1.923% * 0.0132% (0.23 1.0 0.02 0.02) = 0.013% QG1 VAL 105 - HA VAL 73 1.923% * 0.0130% (0.22 1.0 0.02 0.02) = 0.013% QG1 VAL 47 - HB3 SER 49 1.923% * 0.0120% (0.21 1.0 0.02 0.12) = 0.012% QD1 LEU 67 - HA VAL 87 1.923% * 0.0099% (0.17 1.0 0.02 0.02) = 0.010% QG2 VAL 73 - HB3 SER 49 1.923% * 0.0097% (0.17 1.0 0.02 0.02) = 0.010% QG2 VAL 40 - HB3 SER 49 1.923% * 0.0097% (0.17 1.0 0.02 0.02) = 0.010% QG2 VAL 87 - HB3 SER 49 1.923% * 0.0097% (0.17 1.0 0.02 0.02) = 0.010% QG2 VAL 62 - HA VAL 87 1.923% * 0.0091% (0.16 1.0 0.02 0.02) = 0.009% QG2 ILE 29 - HB3 SER 49 1.923% * 0.0087% (0.15 1.0 0.02 0.02) = 0.009% QG1 VAL 47 - HA VAL 87 1.923% * 0.0082% (0.14 1.0 0.02 0.02) = 0.008% QD1 LEU 67 - HA VAL 73 1.923% * 0.0074% (0.13 1.0 0.02 0.02) = 0.007% QG2 VAL 62 - HA VAL 73 1.923% * 0.0067% (0.12 1.0 0.02 0.02) = 0.007% QG2 VAL 73 - HA VAL 87 1.923% * 0.0067% (0.12 1.0 0.02 0.02) = 0.007% QG2 VAL 40 - HA VAL 87 1.923% * 0.0067% (0.12 1.0 0.02 0.02) = 0.007% QG1 VAL 47 - HA VAL 73 1.923% * 0.0061% (0.11 1.0 0.02 0.02) = 0.006% QG2 ILE 29 - HA VAL 87 1.923% * 0.0060% (0.10 1.0 0.02 0.02) = 0.006% QG2 VAL 87 - HA VAL 73 1.923% * 0.0050% (0.09 1.0 0.02 0.02) = 0.005% QG2 VAL 40 - HA VAL 73 1.923% * 0.0050% (0.09 1.0 0.02 0.02) = 0.005% QG2 ILE 29 - HA VAL 73 1.923% * 0.0045% (0.08 1.0 0.02 0.02) = 0.004% 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): 3 diagonal assignments: 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): 6 chemical-shift based assignments, quality = 0.647, support = 2.2, residual support = 11.7: O T QG2 VAL 13 - HA VAL 13 16.667% * 65.5858% (0.78 10.0 10.00 2.21 11.76) = 65.586% kept O QG1 VAL 13 - HA VAL 13 16.667% * 33.7478% (0.40 10.0 1.00 2.21 11.76) = 33.748% kept T QD1 LEU 90 - HA VAL 13 16.667% * 0.4205% (0.50 1.0 10.00 0.02 0.02) = 0.421% T QG1 VAL 94 - HA VAL 13 16.667% * 0.1729% (0.21 1.0 10.00 0.02 0.02) = 0.173% QG2 ILE 100 - HA VAL 13 16.667% * 0.0393% (0.47 1.0 1.00 0.02 0.25) = 0.039% QD1 ILE 29 - HA VAL 13 16.667% * 0.0337% (0.40 1.0 1.00 0.02 0.02) = 0.034% Peak 425 (0.73, 4.19, 62.61 ppm): 28 chemical-shift based assignments, quality = 0.363, support = 2.34, residual support = 9.63: HG LEU 74 - HA VAL 73 3.571% * 20.1641% (0.31 3.90 10.30) = 20.164% kept QG2 ILE 48 - HB3 SER 49 3.571% * 19.5021% (0.33 3.45 31.38) = 19.502% kept QD1 ILE 68 - HA VAL 105 3.571% * 13.9560% (0.53 1.54 2.25) = 13.956% kept QD1 ILE 68 - HB3 SER 49 3.571% * 12.4667% (0.48 1.53 2.61) = 12.467% kept QD1 ILE 68 - HA VAL 73 3.571% * 11.1673% (0.38 1.74 2.96) = 11.167% kept QG2 ILE 101 - HB3 SER 49 3.571% * 10.4859% (0.28 2.24 3.93) = 10.486% kept HG3 LYS+ 66 - HB3 SER 49 3.571% * 3.1378% (0.37 0.50 0.64) = 3.138% kept HG LEU 74 - HB3 SER 49 3.571% * 1.9492% (0.39 0.30 1.07) = 1.949% kept HG3 LYS+ 66 - HA VAL 73 3.571% * 1.7910% (0.29 0.36 0.02) = 1.791% kept QG2 ILE 101 - HA VAL 73 3.571% * 1.6389% (0.22 0.44 0.02) = 1.639% kept QG2 THR 96 - HB3 SER 49 3.571% * 1.6054% (0.15 0.63 0.54) = 1.605% kept QG1 VAL 40 - HB3 SER 49 3.571% * 0.6198% (0.48 0.08 0.02) = 0.620% QG2 ILE 48 - HA VAL 73 3.571% * 0.4201% (0.26 0.09 0.02) = 0.420% QG1 VAL 40 - HA VAL 105 3.571% * 0.1820% (0.54 0.02 0.02) = 0.182% HG LEU 74 - HA VAL 105 3.571% * 0.1461% (0.43 0.02 0.02) = 0.146% HG3 LYS+ 66 - HA VAL 105 3.571% * 0.1394% (0.41 0.02 0.02) = 0.139% QG1 VAL 40 - HA VAL 73 3.571% * 0.1290% (0.38 0.02 0.02) = 0.129% QG2 ILE 48 - HA VAL 105 3.571% * 0.1254% (0.37 0.02 0.02) = 0.125% QG2 ILE 101 - HA VAL 105 3.571% * 0.1041% (0.31 0.02 0.02) = 0.104% QG2 THR 96 - HA VAL 105 3.571% * 0.0563% (0.17 0.02 0.02) = 0.056% QG2 THR 96 - HA VAL 73 3.571% * 0.0399% (0.12 0.02 0.02) = 0.040% QG1 VAL 40 - HA VAL 87 3.571% * 0.0338% (0.10 0.02 0.02) = 0.034% QD1 ILE 68 - HA VAL 87 3.571% * 0.0336% (0.10 0.02 0.02) = 0.034% HG LEU 74 - HA VAL 87 3.571% * 0.0271% (0.08 0.02 0.02) = 0.027% HG3 LYS+ 66 - HA VAL 87 3.571% * 0.0259% (0.08 0.02 0.02) = 0.026% QG2 ILE 48 - HA VAL 87 3.571% * 0.0233% (0.07 0.02 0.02) = 0.023% QG2 ILE 101 - HA VAL 87 3.571% * 0.0193% (0.06 0.02 0.02) = 0.019% QG2 THR 96 - HA VAL 87 3.571% * 0.0105% (0.03 0.02 0.02) = 0.010% Peak 427 (0.55, 4.19, 62.60 ppm): 4 chemical-shift based assignments, quality = 0.346, support = 2.59, residual support = 3.93: T QD1 ILE 101 - HB3 SER 49 25.000% * 99.8127% (0.35 10.00 2.60 3.93) = 99.813% kept QD1 ILE 101 - HA VAL 105 25.000% * 0.1004% (0.35 1.00 0.02 0.02) = 0.100% QD1 ILE 101 - HA VAL 73 25.000% * 0.0716% (0.25 1.00 0.02 0.02) = 0.072% QD1 ILE 101 - HA VAL 87 25.000% * 0.0153% (0.05 1.00 0.02 0.02) = 0.015% Peak 439 (8.23, 0.92, 20.86 ppm): 10 chemical-shift based assignments, quality = 0.0882, support = 0.243, residual support = 0.0472: HN ALA 11 - QG2 VAL 87 10.000% * 39.8654% (0.07 0.36 0.02) = 39.865% kept HN GLU- 45 - QG2 VAL 87 10.000% * 29.5775% (0.06 0.32 0.11) = 29.578% kept HN SER 49 - QG2 VAL 87 10.000% * 4.9654% (0.16 0.02 0.02) = 4.965% kept HN GLY 58 - QG2 VAL 87 10.000% * 4.7919% (0.16 0.02 0.02) = 4.792% kept HN LYS+ 81 - QG2 VAL 87 10.000% * 4.4531% (0.15 0.02 0.02) = 4.453% kept HN LEU 67 - QG2 VAL 87 10.000% * 4.4531% (0.15 0.02 0.02) = 4.453% kept HN GLU- 12 - QG2 VAL 87 10.000% * 3.9760% (0.13 0.02 0.02) = 3.976% kept HN VAL 94 - QG2 VAL 87 10.000% * 3.2121% (0.11 0.02 0.02) = 3.212% kept HN VAL 105 - QG2 VAL 87 10.000% * 3.0117% (0.10 0.02 0.02) = 3.012% kept HN THR 106 - QG2 VAL 87 10.000% * 1.6937% (0.06 0.02 0.02) = 1.694% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 440 (4.80, 0.91, 20.89 ppm): 3 chemical-shift based assignments, quality = 0.173, support = 0.434, residual support = 0.144: HA ASN 15 - QG2 VAL 87 33.333% * 74.8694% (0.18 0.53 0.19) = 74.869% kept HB THR 39 - QG2 VAL 87 33.333% * 20.6362% (0.14 0.18 0.02) = 20.636% kept HA LEU 23 - QG2 VAL 87 33.333% * 4.4944% (0.28 0.02 0.02) = 4.494% kept Not enough quality. Peak unassigned. Peak 442 (4.13, 0.92, 21.03 ppm): 9 chemical-shift based assignments, quality = 0.229, support = 3.12, residual support = 19.0: O T HA VAL 87 - QG2 VAL 87 11.111% * 84.7981% (0.20 10.0 10.00 3.45 20.58) = 84.798% kept HB2 SER 88 - QG2 VAL 87 11.111% * 12.4239% (0.38 1.0 1.00 1.57 12.66) = 12.424% kept T HB3 SER 49 - QG2 VAL 87 11.111% * 1.8512% (0.45 1.0 10.00 0.02 0.02) = 1.851% kept T HA VAL 105 - QG2 VAL 87 11.111% * 0.2918% (0.07 1.0 10.00 0.02 0.02) = 0.292% HD2 PRO 59 - QG2 VAL 87 11.111% * 0.1875% (0.45 1.0 1.00 0.02 0.02) = 0.187% HA2 GLY 71 - QG2 VAL 87 11.111% * 0.1854% (0.45 1.0 1.00 0.02 0.02) = 0.185% HA ARG+ 53 - QG2 VAL 87 11.111% * 0.1746% (0.42 1.0 1.00 0.02 0.02) = 0.175% HA THR 46 - QG2 VAL 87 11.111% * 0.0584% (0.14 1.0 1.00 0.02 0.02) = 0.058% HB THR 106 - QG2 VAL 87 11.111% * 0.0292% (0.07 1.0 1.00 0.02 0.02) = 0.029% Peak 445 (4.02, 0.83, 20.87 ppm): 5 chemical-shift based assignments, quality = 0.731, support = 2.21, residual support = 11.7: O T HA VAL 13 - QG2 VAL 13 20.000% * 99.8371% (0.73 10.0 10.00 2.21 11.76) = 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): 15 chemical-shift based assignments, quality = 0.452, support = 1.08, residual support = 2.93: O HN GLU- 107 - HA THR 106 6.667% * 92.2686% (0.47 10.0 1.13 3.17) = 92.269% kept HN GLU- 18 - HA ILE 29 6.667% * 3.3679% (0.25 1.0 0.79 0.02) = 3.368% kept HN LEU 74 - HA THR 106 6.667% * 2.2408% (0.27 1.0 0.48 0.02) = 2.241% kept HN GLY 92 - HA ILE 29 6.667% * 0.9267% (0.42 1.0 0.13 0.02) = 0.927% HN GLU- 18 - HA THR 106 6.667% * 0.5887% (0.27 1.0 0.13 0.02) = 0.589% HN GLY 92 - HA THR 106 6.667% * 0.1584% (0.46 1.0 0.02 0.02) = 0.158% HN GLU- 107 - HA ILE 29 6.667% * 0.1487% (0.43 1.0 0.02 0.02) = 0.149% HN LEU 74 - HA ILE 29 6.667% * 0.0849% (0.25 1.0 0.02 0.02) = 0.085% HN GLU- 10 - HA THR 106 6.667% * 0.0616% (0.18 1.0 0.02 0.02) = 0.062% HN GLU- 10 - HA ILE 29 6.667% * 0.0563% (0.16 1.0 0.02 0.02) = 0.056% HN GLU- 107 - HA VAL 94 6.667% * 0.0279% (0.08 1.0 0.02 0.02) = 0.028% HN GLY 92 - HA VAL 94 6.667% * 0.0271% (0.08 1.0 0.02 0.02) = 0.027% HN GLU- 18 - HA VAL 94 6.667% * 0.0159% (0.05 1.0 0.02 3.18) = 0.016% HN LEU 74 - HA VAL 94 6.667% * 0.0159% (0.05 1.0 0.02 0.02) = 0.016% HN GLU- 10 - HA VAL 94 6.667% * 0.0106% (0.03 1.0 0.02 0.02) = 0.011% Peak 519 (8.25, 4.31, 61.89 ppm): 16 chemical-shift based assignments, quality = 0.407, support = 2.82, residual support = 15.5: O HN THR 106 - HA THR 106 6.250% * 91.8842% (0.42 10.0 3.02 16.80) = 91.884% kept HN GLN 16 - HA THR 106 6.250% * 2.8380% (0.31 1.0 0.84 0.52) = 2.838% kept HN GLN 16 - HA ILE 29 6.250% * 2.1529% (0.41 1.0 0.48 0.02) = 2.153% kept HN LEU 67 - HA THR 106 6.250% * 1.5269% (0.29 1.0 0.48 0.02) = 1.527% kept HN GLU- 12 - HA THR 106 6.250% * 0.8825% (0.34 1.0 0.24 0.02) = 0.883% HN THR 106 - HA ILE 29 6.250% * 0.1214% (0.55 1.0 0.02 0.02) = 0.121% HN GLU- 12 - HA ILE 29 6.250% * 0.0981% (0.45 1.0 0.02 0.02) = 0.098% HN LYS+ 81 - HA ILE 29 6.250% * 0.0842% (0.38 1.0 0.02 0.02) = 0.084% HN LEU 67 - HA ILE 29 6.250% * 0.0842% (0.38 1.0 0.02 0.02) = 0.084% HN GLY 58 - HA ILE 29 6.250% * 0.0694% (0.32 1.0 0.02 2.20) = 0.069% HN LYS+ 81 - HA THR 106 6.250% * 0.0637% (0.29 1.0 0.02 1.85) = 0.064% HN GLY 58 - HA THR 106 6.250% * 0.0525% (0.24 1.0 0.02 0.02) = 0.052% HN SER 49 - HA ILE 29 6.250% * 0.0504% (0.23 1.0 0.02 0.02) = 0.050% HN SER 49 - HA THR 106 6.250% * 0.0381% (0.17 1.0 0.02 0.46) = 0.038% HN ASN 89 - HA ILE 29 6.250% * 0.0305% (0.14 1.0 0.02 0.02) = 0.031% HN ASN 89 - HA THR 106 6.250% * 0.0231% (0.11 1.0 0.02 0.02) = 0.023% Peak 520 (8.07, 0.84, 20.68 ppm): 1 chemical-shift based assignment, quality = 0.205, support = 2.2, residual support = 6.77: HN ASN 15 - QG2 VAL 13 100.000% *100.0000% (0.21 2.20 6.77) = 100.000% kept Peak 521 (7.81, 0.91, 20.50 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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): 12 chemical-shift based assignments, quality = 0.363, support = 0.511, residual support = 0.404: T HB3 SER 49 - HA THR 106 8.333% * 84.9134% (0.40 10.00 0.57 0.46) = 84.913% kept T HB3 SER 49 - HA VAL 94 8.333% * 5.2173% (0.08 10.00 0.17 0.02) = 5.217% kept T HA GLU- 12 - HA VAL 94 8.333% * 2.9050% (0.04 10.00 0.19 0.02) = 2.905% kept T HB3 SER 49 - HA ILE 29 8.333% * 2.7832% (0.38 10.00 0.02 0.02) = 2.783% kept T HA GLU- 12 - HA THR 106 8.333% * 1.4432% (0.20 10.00 0.02 0.02) = 1.443% kept HA VAL 73 - HA VAL 94 8.333% * 1.1721% (0.05 1.00 0.60 1.15) = 1.172% kept HA ASP- 82 - HA VAL 94 8.333% * 0.4427% (0.09 1.00 0.13 0.02) = 0.443% HA ASP- 82 - HA THR 106 8.333% * 0.3212% (0.44 1.00 0.02 0.68) = 0.321% HA ASP- 82 - HA ILE 29 8.333% * 0.3026% (0.41 1.00 0.02 0.02) = 0.303% HA VAL 73 - HA THR 106 8.333% * 0.1872% (0.26 1.00 0.02 0.02) = 0.187% HA VAL 73 - HA ILE 29 8.333% * 0.1763% (0.24 1.00 0.02 0.02) = 0.176% HA GLU- 12 - HA ILE 29 8.333% * 0.1359% (0.19 1.00 0.02 0.02) = 0.136% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 527 (3.86, 0.91, 20.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 528 (2.11, 0.91, 20.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 529 (1.87, 4.27, 61.86 ppm): 21 chemical-shift based assignments, quality = 0.595, support = 3.86, residual support = 48.7: O HB VAL 94 - HA VAL 94 4.762% * 98.7588% (0.60 10.0 3.91 49.31) = 98.759% kept HB3 LYS+ 72 - HA VAL 94 4.762% * 0.6605% (0.42 1.0 0.19 0.02) = 0.660% HB2 PRO 104 - HA VAL 94 4.762% * 0.0737% (0.45 1.0 0.02 0.02) = 0.074% HB3 LYS+ 60 - HA VAL 94 4.762% * 0.0645% (0.39 1.0 0.02 0.02) = 0.064% HB VAL 94 - HA THR 106 4.762% * 0.0595% (0.36 1.0 0.02 0.02) = 0.059% HB2 PRO 104 - HA THR 106 4.762% * 0.0444% (0.27 1.0 0.02 0.02) = 0.044% HB3 LYS+ 72 - HA THR 106 4.762% * 0.0416% (0.25 1.0 0.02 0.23) = 0.042% HB3 LYS+ 60 - HA THR 106 4.762% * 0.0388% (0.24 1.0 0.02 0.02) = 0.039% HB VAL 94 - HA SER 49 4.762% * 0.0308% (0.19 1.0 0.02 0.02) = 0.031% HB2 LYS+ 66 - HA VAL 94 4.762% * 0.0284% (0.17 1.0 0.02 0.02) = 0.028% HG2 GLU- 18 - HA VAL 94 4.762% * 0.0284% (0.17 1.0 0.02 3.18) = 0.028% HB3 GLN 16 - HA VAL 94 4.762% * 0.0284% (0.17 1.0 0.02 0.19) = 0.028% HB2 PRO 104 - HA SER 49 4.762% * 0.0230% (0.14 1.0 0.02 0.02) = 0.023% HB3 LYS+ 72 - HA SER 49 4.762% * 0.0215% (0.13 1.0 0.02 0.02) = 0.022% HB3 LYS+ 60 - HA SER 49 4.762% * 0.0201% (0.12 1.0 0.02 0.02) = 0.020% HB3 GLN 16 - HA THR 106 4.762% * 0.0171% (0.10 1.0 0.02 0.52) = 0.017% HG2 GLU- 18 - HA THR 106 4.762% * 0.0171% (0.10 1.0 0.02 0.02) = 0.017% HB2 LYS+ 66 - HA THR 106 4.762% * 0.0171% (0.10 1.0 0.02 0.02) = 0.017% HB3 GLN 16 - HA SER 49 4.762% * 0.0089% (0.05 1.0 0.02 0.02) = 0.009% HB2 LYS+ 66 - HA SER 49 4.762% * 0.0089% (0.05 1.0 0.02 0.64) = 0.009% HG2 GLU- 18 - HA SER 49 4.762% * 0.0089% (0.05 1.0 0.02 0.02) = 0.009% Peak 531 (1.18, 4.31, 62.00 ppm): 10 chemical-shift based assignments, quality = 0.423, support = 2.37, residual support = 16.5: O T QG2 THR 106 - HA THR 106 10.000% * 98.4687% (0.43 10.0 10.00 2.41 16.80) = 98.469% kept T QG2 THR 106 - HA ILE 29 10.000% * 0.5990% (0.26 1.0 10.00 0.02 0.02) = 0.599% HB2 LEU 74 - HA THR 106 10.000% * 0.5908% (0.44 1.0 1.00 0.12 0.02) = 0.591% HB2 LEU 43 - HA THR 106 10.000% * 0.0903% (0.39 1.0 1.00 0.02 0.02) = 0.090% HG3 PRO 59 - HA THR 106 10.000% * 0.0673% (0.29 1.0 1.00 0.02 0.02) = 0.067% HB2 LEU 74 - HA ILE 29 10.000% * 0.0621% (0.27 1.0 1.00 0.02 0.02) = 0.062% HB2 LEU 43 - HA ILE 29 10.000% * 0.0549% (0.24 1.0 1.00 0.02 0.02) = 0.055% HG3 PRO 59 - HA ILE 29 10.000% * 0.0410% (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 = 0.454, support = 4.36, residual support = 43.9: O QG2 ILE 29 - HA ILE 29 3.333% * 79.0092% (0.47 10.0 5.18 54.10) = 79.009% kept QD1 LEU 17 - HA ILE 29 3.333% * 6.7031% (0.47 1.0 1.70 11.28) = 6.703% kept QG1 VAL 105 - HA THR 106 3.333% * 5.1679% (0.43 1.0 1.43 3.57) = 5.168% kept QG2 VAL 105 - HA THR 106 3.333% * 4.8978% (0.40 1.0 1.45 3.57) = 4.898% kept QG1 VAL 105 - HA ILE 29 3.333% * 1.3452% (0.48 1.0 0.33 0.02) = 1.345% kept QG2 VAL 73 - HA THR 106 3.333% * 1.3207% (0.43 1.0 0.37 0.02) = 1.321% kept QG2 VAL 62 - HA ILE 29 3.333% * 0.6595% (0.51 1.0 0.15 0.02) = 0.659% QG2 VAL 73 - HA ILE 29 3.333% * 0.0813% (0.48 1.0 0.02 0.02) = 0.081% QG2 VAL 62 - HA THR 106 3.333% * 0.0766% (0.45 1.0 0.02 0.02) = 0.077% QG2 VAL 105 - HA ILE 29 3.333% * 0.0764% (0.45 1.0 0.02 0.02) = 0.076% HB2 ARG+ 84 - HA ILE 29 3.333% * 0.0736% (0.43 1.0 0.02 0.02) = 0.074% QD1 LEU 17 - HA THR 106 3.333% * 0.0701% (0.41 1.0 0.02 0.02) = 0.070% QG2 ILE 29 - HA THR 106 3.333% * 0.0701% (0.41 1.0 0.02 0.02) = 0.070% HB2 ARG+ 84 - HA THR 106 3.333% * 0.0653% (0.39 1.0 0.02 0.02) = 0.065% HG12 ILE 68 - HA ILE 29 3.333% * 0.0534% (0.32 1.0 0.02 0.02) = 0.053% HG12 ILE 68 - HA THR 106 3.333% * 0.0474% (0.28 1.0 0.02 0.80) = 0.047% QG2 VAL 99 - HA ILE 29 3.333% * 0.0464% (0.27 1.0 0.02 0.02) = 0.046% QG2 VAL 99 - HA THR 106 3.333% * 0.0411% (0.24 1.0 0.02 0.02) = 0.041% QG2 VAL 80 - HA ILE 29 3.333% * 0.0362% (0.21 1.0 0.02 0.02) = 0.036% QG2 VAL 80 - HA THR 106 3.333% * 0.0321% (0.19 1.0 0.02 2.83) = 0.032% QG2 VAL 62 - HA VAL 94 3.333% * 0.0158% (0.09 1.0 0.02 0.02) = 0.016% QG1 VAL 105 - HA VAL 94 3.333% * 0.0149% (0.09 1.0 0.02 0.02) = 0.015% QG2 VAL 73 - HA VAL 94 3.333% * 0.0149% (0.09 1.0 0.02 1.15) = 0.015% QD1 LEU 17 - HA VAL 94 3.333% * 0.0144% (0.09 1.0 0.02 8.81) = 0.014% QG2 ILE 29 - HA VAL 94 3.333% * 0.0144% (0.09 1.0 0.02 0.02) = 0.014% QG2 VAL 105 - HA VAL 94 3.333% * 0.0140% (0.08 1.0 0.02 0.02) = 0.014% HB2 ARG+ 84 - HA VAL 94 3.333% * 0.0134% (0.08 1.0 0.02 0.02) = 0.013% HG12 ILE 68 - HA VAL 94 3.333% * 0.0098% (0.06 1.0 0.02 0.02) = 0.010% QG2 VAL 99 - HA VAL 94 3.333% * 0.0085% (0.05 1.0 0.02 0.02) = 0.008% QG2 VAL 80 - HA VAL 94 3.333% * 0.0066% (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 = 0.659, support = 2.13, residual support = 12.4: O HN GLY 30 - HA ILE 29 11.111% * 99.3859% (0.66 10.0 2.14 12.52) = 99.386% kept HN THR 79 - HA ILE 29 11.111% * 0.4840% (0.74 1.0 0.09 0.02) = 0.484% HN THR 79 - HA VAL 94 11.111% * 0.0295% (0.20 1.0 0.02 0.02) = 0.029% HN GLY 30 - HA VAL 94 11.111% * 0.0265% (0.18 1.0 0.02 0.02) = 0.026% HN GLU- 54 - HA ILE 29 11.111% * 0.0253% (0.17 1.0 0.02 0.02) = 0.025% HN THR 79 - HA THR 106 11.111% * 0.0198% (0.13 1.0 0.02 0.39) = 0.020% HN GLY 30 - HA THR 106 11.111% * 0.0178% (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% * 0.0045% (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 = 0.233, support = 1.89, residual support = 8.76: O HN LYS+ 60 - HA PRO 59 6.250% * 84.0122% (0.21 10.0 2.11 10.43) = 84.012% kept HN ASN 57 - HA PRO 59 6.250% * 5.7540% (0.30 1.0 0.97 0.02) = 5.754% kept HN LYS+ 60 - HA VAL 94 6.250% * 5.5422% (0.58 1.0 0.48 0.02) = 5.542% kept HN SER 69 - HA VAL 94 6.250% * 3.1867% (0.17 1.0 0.96 0.02) = 3.187% kept HN LYS+ 32 - HA PRO 59 6.250% * 0.5507% (0.28 1.0 0.10 0.02) = 0.551% HN ASN 57 - HA VAL 94 6.250% * 0.3247% (0.82 1.0 0.02 0.02) = 0.325% HN LYS+ 32 - HA VAL 94 6.250% * 0.3018% (0.76 1.0 0.02 0.02) = 0.302% HN ASN 57 - HA THR 106 6.250% * 0.0598% (0.15 1.0 0.02 0.02) = 0.060% HN LYS+ 32 - HA THR 106 6.250% * 0.0556% (0.14 1.0 0.02 0.02) = 0.056% HN ASN 57 - HA SER 49 6.250% * 0.0468% (0.12 1.0 0.02 0.02) = 0.047% HN LYS+ 32 - HA SER 49 6.250% * 0.0435% (0.11 1.0 0.02 0.02) = 0.043% HN LYS+ 60 - HA THR 106 6.250% * 0.0426% (0.11 1.0 0.02 0.02) = 0.043% HN LYS+ 60 - HA SER 49 6.250% * 0.0333% (0.08 1.0 0.02 0.02) = 0.033% HN SER 69 - HA PRO 59 6.250% * 0.0242% (0.06 1.0 0.02 0.02) = 0.024% HN SER 69 - HA THR 106 6.250% * 0.0123% (0.03 1.0 0.02 0.02) = 0.012% HN SER 69 - HA SER 49 6.250% * 0.0096% (0.02 1.0 0.02 0.02) = 0.010% Peak 547 (8.23, 4.22, 61.70 ppm): 22 chemical-shift based assignments, quality = 0.427, support = 2.8, residual support = 13.2: O HN SER 49 - HA SER 49 4.545% * 89.2386% (0.44 10.0 3.01 14.71) = 89.239% kept HN GLY 58 - HA PRO 59 4.545% * 4.2477% (0.23 1.0 1.82 0.97) = 4.248% kept HN GLY 58 - HA SER 49 4.545% * 3.0781% (0.45 1.0 0.68 0.02) = 3.078% kept HN LEU 67 - HA SER 49 4.545% * 1.6807% (0.43 1.0 0.38 0.02) = 1.681% kept HN LYS+ 81 - HA SER 49 4.545% * 1.1866% (0.43 1.0 0.27 0.02) = 1.187% kept HN GLU- 12 - HA SER 49 4.545% * 0.0816% (0.40 1.0 0.02 0.02) = 0.082% HN VAL 94 - HA SER 49 4.545% * 0.0479% (0.23 1.0 0.02 0.02) = 0.048% HN SER 49 - HA PRO 59 4.545% * 0.0460% (0.23 1.0 0.02 0.02) = 0.046% HN LEU 67 - HA PRO 59 4.545% * 0.0452% (0.22 1.0 0.02 0.02) = 0.045% HN LYS+ 81 - HA PRO 59 4.545% * 0.0452% (0.22 1.0 0.02 0.02) = 0.045% HN VAL 105 - HA SER 49 4.545% * 0.0443% (0.22 1.0 0.02 0.02) = 0.044% HN GLU- 12 - HA PRO 59 4.545% * 0.0420% (0.21 1.0 0.02 0.02) = 0.042% HN THR 106 - HA SER 49 4.545% * 0.0408% (0.20 1.0 0.02 0.46) = 0.041% HN ALA 11 - HA SER 49 4.545% * 0.0311% (0.15 1.0 0.02 0.02) = 0.031% HN GLU- 45 - HA SER 49 4.545% * 0.0253% (0.12 1.0 0.02 3.80) = 0.025% HN VAL 94 - HA PRO 59 4.545% * 0.0247% (0.12 1.0 0.02 0.02) = 0.025% HN VAL 105 - HA PRO 59 4.545% * 0.0228% (0.11 1.0 0.02 0.02) = 0.023% HN THR 106 - HA PRO 59 4.545% * 0.0210% (0.10 1.0 0.02 0.02) = 0.021% HN ALA 11 - HA PRO 59 4.545% * 0.0160% (0.08 1.0 0.02 0.02) = 0.016% HN GLN 16 - HA SER 49 4.545% * 0.0140% (0.07 1.0 0.02 0.02) = 0.014% HN GLU- 45 - HA PRO 59 4.545% * 0.0130% (0.06 1.0 0.02 0.02) = 0.013% HN GLN 16 - HA PRO 59 4.545% * 0.0072% (0.04 1.0 0.02 0.02) = 0.007% Peak 548 (7.83, 1.39, 20.05 ppm): 6 chemical-shift based assignments, quality = 0.139, support = 1.77, residual support = 6.97: O HN ALA 93 - QB ALA 93 16.667% * 98.1627% (0.14 10.0 1.80 7.10) = 98.163% kept HN LYS+ 55 - QB ALA 93 16.667% * 0.9018% (0.30 1.0 0.08 0.02) = 0.902% HN LYS+ 63 - QB ALA 93 16.667% * 0.3405% (0.44 1.0 0.02 0.02) = 0.340% HN LYS+ 63 - QB ALA 37 16.667% * 0.2990% (0.39 1.0 0.02 0.02) = 0.299% HN LYS+ 55 - QB ALA 37 16.667% * 0.2004% (0.26 1.0 0.02 0.02) = 0.200% HN ALA 93 - QB ALA 37 16.667% * 0.0956% (0.12 1.0 0.02 0.02) = 0.096% Peak 549 (4.24, 4.23, 61.64 ppm): 2 diagonal assignments: HA PRO 59 - HA PRO 59 (0.50) kept HA SER 49 - HA SER 49 (0.25) kept Peak 550 (4.04, 4.23, 61.72 ppm): 10 chemical-shift based assignments, quality = 0.186, support = 2.23, residual support = 14.6: O HB2 SER 49 - HA SER 49 10.000% * 56.0378% (0.21 10.0 2.33 14.71) = 56.038% kept O HB3 SER 49 - HA SER 49 10.000% * 43.5102% (0.16 10.0 2.12 14.71) = 43.510% kept HB3 SER 85 - HA SER 49 10.000% * 0.1480% (0.55 1.0 0.02 0.02) = 0.148% HB THR 38 - HA SER 49 10.000% * 0.0906% (0.34 1.0 0.02 0.02) = 0.091% HB3 SER 85 - HA PRO 59 10.000% * 0.0695% (0.26 1.0 0.02 0.02) = 0.069% HB THR 38 - HA PRO 59 10.000% * 0.0425% (0.16 1.0 0.02 0.02) = 0.043% HA VAL 13 - HA SER 49 10.000% * 0.0372% (0.14 1.0 0.02 0.02) = 0.037% HB2 SER 49 - HA PRO 59 10.000% * 0.0263% (0.10 1.0 0.02 0.02) = 0.026% HB3 SER 49 - HA PRO 59 10.000% * 0.0204% (0.08 1.0 0.02 0.02) = 0.020% HA VAL 13 - HA PRO 59 10.000% * 0.0175% (0.06 1.0 0.02 0.02) = 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 0.30 Peak unassigned. Peak 553 (2.03, 4.27, 61.68 ppm): 48 chemical-shift based assignments, quality = 0.528, support = 1.04, residual support = 1.21: T HB3 GLU- 45 - HA VAL 94 2.083% * 35.3088% (0.88 10.00 0.80 0.02) = 35.309% kept T HB2 GLU- 18 - HA VAL 94 2.083% * 22.6131% (0.27 10.00 1.71 3.18) = 22.613% kept T HB3 GLU- 75 - HA VAL 94 2.083% * 21.0721% (0.55 10.00 0.78 0.51) = 21.072% kept T HB3 GLU- 45 - HA SER 49 2.083% * 4.9671% (0.07 10.00 1.52 3.80) = 4.967% kept T HB3 GLU- 75 - HA PRO 59 2.083% * 3.6076% (0.13 10.00 0.55 0.02) = 3.608% kept T HB2 GLU- 45 - HA SER 49 2.083% * 3.5139% (0.04 10.00 1.64 3.80) = 3.514% kept T HB3 GLU- 54 - HA VAL 94 2.083% * 3.4364% (0.86 10.00 0.08 0.02) = 3.436% kept HB3 GLU- 107 - HA THR 106 2.083% * 1.6695% (0.11 1.00 2.94 3.17) = 1.670% kept T HB3 GLU- 75 - HA SER 49 2.083% * 0.9171% (0.04 10.00 0.45 0.27) = 0.917% T HB2 GLU- 45 - HA VAL 94 2.083% * 0.5783% (0.58 10.00 0.02 0.02) = 0.578% T HB2 GLU- 18 - HA THR 106 2.083% * 0.2387% (0.06 10.00 0.08 0.02) = 0.239% T HG3 GLU- 64 - HA VAL 94 2.083% * 0.2282% (0.23 10.00 0.02 0.02) = 0.228% T HB3 GLU- 45 - HA PRO 59 2.083% * 0.2114% (0.21 10.00 0.02 0.02) = 0.211% T HB3 GLU- 54 - HA PRO 59 2.083% * 0.2054% (0.21 10.00 0.02 0.02) = 0.205% T HB3 GLU- 10 - HA PRO 59 2.083% * 0.1834% (0.18 10.00 0.02 0.02) = 0.183% T HB2 GLU- 45 - HA PRO 59 2.083% * 0.1389% (0.14 10.00 0.02 0.02) = 0.139% T HB3 GLU- 75 - HA THR 106 2.083% * 0.1230% (0.12 10.00 0.02 0.02) = 0.123% T HB3 GLU- 107 - HA PRO 59 2.083% * 0.1205% (0.12 10.00 0.02 0.02) = 0.120% HG3 PRO 86 - HA VAL 94 2.083% * 0.0827% (0.83 1.00 0.02 0.02) = 0.083% HB3 GLU- 10 - HA VAL 94 2.083% * 0.0763% (0.77 1.00 0.02 0.02) = 0.076% HB3 PRO 31 - HA VAL 94 2.083% * 0.0692% (0.69 1.00 0.02 0.02) = 0.069% T HB2 GLU- 18 - HA PRO 59 2.083% * 0.0637% (0.06 10.00 0.02 0.02) = 0.064% T HB3 GLU- 54 - HA SER 49 2.083% * 0.0635% (0.06 10.00 0.02 0.02) = 0.064% T HB3 GLU- 10 - HA SER 49 2.083% * 0.0567% (0.06 10.00 0.02 0.02) = 0.057% T HG3 GLU- 64 - HA PRO 59 2.083% * 0.0548% (0.06 10.00 0.02 0.02) = 0.055% T HG3 GLU- 64 - HA THR 106 2.083% * 0.0516% (0.05 10.00 0.02 0.02) = 0.052% HB3 GLU- 107 - HA VAL 94 2.083% * 0.0502% (0.50 1.00 0.02 0.02) = 0.050% T HB2 HIS+ 14 - HA PRO 59 2.083% * 0.0453% (0.05 10.00 0.02 0.02) = 0.045% T HB3 GLU- 107 - HA SER 49 2.083% * 0.0373% (0.04 10.00 0.02 0.02) = 0.037% HB3 GLU- 45 - HA THR 106 2.083% * 0.0199% (0.20 1.00 0.02 0.02) = 0.020% HG3 PRO 86 - HA PRO 59 2.083% * 0.0199% (0.20 1.00 0.02 0.02) = 0.020% HB3 GLU- 54 - HA THR 106 2.083% * 0.0194% (0.19 1.00 0.02 0.02) = 0.019% HB2 HIS+ 14 - HA VAL 94 2.083% * 0.0189% (0.19 1.00 0.02 0.02) = 0.019% HG3 PRO 86 - HA THR 106 2.083% * 0.0187% (0.19 1.00 0.02 0.02) = 0.019% HB3 GLU- 10 - HA THR 106 2.083% * 0.0173% (0.17 1.00 0.02 0.02) = 0.017% HB3 PRO 31 - HA PRO 59 2.083% * 0.0166% (0.17 1.00 0.02 0.02) = 0.017% HB3 PRO 31 - HA THR 106 2.083% * 0.0157% (0.16 1.00 0.02 0.02) = 0.016% HG2 PRO 86 - HA VAL 94 2.083% * 0.0147% (0.15 1.00 0.02 0.02) = 0.015% T HB2 HIS+ 14 - HA SER 49 2.083% * 0.0140% (0.01 10.00 0.02 0.02) = 0.014% HB2 GLU- 45 - HA THR 106 2.083% * 0.0131% (0.13 1.00 0.02 0.02) = 0.013% HG3 PRO 86 - HA SER 49 2.083% * 0.0061% (0.06 1.00 0.02 0.02) = 0.006% HB3 PRO 31 - HA SER 49 2.083% * 0.0051% (0.05 1.00 0.02 0.02) = 0.005% HB2 HIS+ 14 - HA THR 106 2.083% * 0.0043% (0.04 1.00 0.02 0.02) = 0.004% HG2 PRO 86 - HA PRO 59 2.083% * 0.0035% (0.04 1.00 0.02 0.02) = 0.004% HG2 PRO 86 - HA THR 106 2.083% * 0.0033% (0.03 1.00 0.02 0.02) = 0.003% HB2 GLU- 18 - HA SER 49 2.083% * 0.0020% (0.02 1.00 0.02 0.02) = 0.002% HG3 GLU- 64 - HA SER 49 2.083% * 0.0017% (0.02 1.00 0.02 2.10) = 0.002% HG2 PRO 86 - HA SER 49 2.083% * 0.0011% (0.01 1.00 0.02 0.02) = 0.001% Peak 554 (1.96, 4.30, 61.72 ppm): 24 chemical-shift based assignments, quality = 0.361, support = 0.815, residual support = 0.757: T HB VAL 73 - HA VAL 94 4.167% * 61.2626% (0.37 10.00 1.01 1.15) = 61.263% kept T HB VAL 73 - HA THR 106 4.167% * 20.2951% (0.34 10.00 0.37 0.02) = 20.295% kept HG3 PRO 31 - HA ILE 29 4.167% * 6.5958% (0.54 1.00 0.75 0.02) = 6.596% kept HG3 PRO 104 - HA VAL 94 4.167% * 4.7663% (0.34 1.00 0.85 0.02) = 4.766% kept HB2 GLU- 75 - HA ILE 29 4.167% * 2.8337% (0.33 1.00 0.52 1.70) = 2.834% kept HB2 LYS+ 108 - HA VAL 94 4.167% * 2.0266% (0.13 1.00 0.94 0.02) = 2.027% kept HB VAL 13 - HA THR 106 4.167% * 0.4435% (0.36 1.00 0.08 0.02) = 0.443% HB VAL 13 - HA ILE 29 4.167% * 0.2674% (0.82 1.00 0.02 0.02) = 0.267% HB VAL 73 - HA ILE 29 4.167% * 0.2513% (0.77 1.00 0.02 0.02) = 0.251% HG3 PRO 104 - HA ILE 29 4.167% * 0.2320% (0.71 1.00 0.02 0.02) = 0.232% HB3 LYS+ 55 - HA ILE 29 4.167% * 0.1640% (0.50 1.00 0.02 0.02) = 0.164% HB VAL 13 - HA VAL 94 4.167% * 0.1295% (0.40 1.00 0.02 0.02) = 0.130% HG3 PRO 104 - HA THR 106 4.167% * 0.1023% (0.31 1.00 0.02 0.02) = 0.102% HB2 LYS+ 108 - HA ILE 29 4.167% * 0.0894% (0.27 1.00 0.02 0.02) = 0.089% HG3 PRO 31 - HA VAL 94 4.167% * 0.0851% (0.26 1.00 0.02 0.02) = 0.085% HB3 LYS+ 55 - HA VAL 94 4.167% * 0.0794% (0.24 1.00 0.02 0.02) = 0.079% HG3 PRO 31 - HA THR 106 4.167% * 0.0775% (0.24 1.00 0.02 0.02) = 0.078% HB3 LYS+ 55 - HA THR 106 4.167% * 0.0723% (0.22 1.00 0.02 0.02) = 0.072% HB2 GLU- 75 - HA VAL 94 4.167% * 0.0527% (0.16 1.00 0.02 0.51) = 0.053% HB2 GLU- 75 - HA THR 106 4.167% * 0.0480% (0.15 1.00 0.02 0.02) = 0.048% HB2 GLU- 10 - HA ILE 29 4.167% * 0.0447% (0.14 1.00 0.02 0.02) = 0.045% HB2 LYS+ 108 - HA THR 106 4.167% * 0.0394% (0.12 1.00 0.02 0.02) = 0.039% HB2 GLU- 10 - HA VAL 94 4.167% * 0.0216% (0.07 1.00 0.02 0.02) = 0.022% HB2 GLU- 10 - HA THR 106 4.167% * 0.0197% (0.06 1.00 0.02 0.02) = 0.020% Peak 555 (1.04, 0.89, 20.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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): 28 chemical-shift based assignments, quality = 0.289, support = 3.3, residual support = 37.1: O T QG1 VAL 94 - HA VAL 94 3.571% * 70.7322% (0.34 10.0 10.00 4.15 49.31) = 70.732% kept T QD2 LEU 17 - HA VAL 94 3.571% * 24.7691% (0.18 1.0 10.00 1.33 8.81) = 24.769% kept QG1 VAL 13 - HA PRO 59 3.571% * 1.6518% (0.15 1.0 1.00 1.07 0.02) = 1.652% kept QD1 ILE 29 - HA PRO 59 3.571% * 1.6344% (0.15 1.0 1.00 1.06 0.02) = 1.634% kept QG2 VAL 13 - HA VAL 94 3.571% * 0.1880% (0.90 1.0 1.00 0.02 0.02) = 0.188% T QG1 VAL 94 - HA THR 106 3.571% * 0.1712% (0.08 1.0 10.00 0.02 0.02) = 0.171% QD1 ILE 29 - HA VAL 94 3.571% * 0.1219% (0.58 1.0 1.00 0.02 0.02) = 0.122% QG1 VAL 13 - HA VAL 94 3.571% * 0.1219% (0.58 1.0 1.00 0.02 0.02) = 0.122% T QD2 LEU 17 - HA THR 106 3.571% * 0.0903% (0.04 1.0 10.00 0.02 0.02) = 0.090% QD1 LEU 90 - HA VAL 94 3.571% * 0.0845% (0.41 1.0 1.00 0.02 0.02) = 0.084% QG2 ILE 100 - HA VAL 94 3.571% * 0.0775% (0.37 1.0 1.00 0.02 0.02) = 0.077% QG2 VAL 13 - HA PRO 59 3.571% * 0.0477% (0.23 1.0 1.00 0.02 0.02) = 0.048% QG2 VAL 13 - HA THR 106 3.571% * 0.0455% (0.22 1.0 1.00 0.02 0.02) = 0.046% QD1 ILE 29 - HA THR 106 3.571% * 0.0295% (0.14 1.0 1.00 0.02 0.02) = 0.030% QG1 VAL 13 - HA THR 106 3.571% * 0.0295% (0.14 1.0 1.00 0.02 0.02) = 0.030% QG2 VAL 13 - HA SER 49 3.571% * 0.0261% (0.12 1.0 1.00 0.02 0.02) = 0.026% QD1 LEU 90 - HA PRO 59 3.571% * 0.0214% (0.10 1.0 1.00 0.02 0.02) = 0.021% QD1 LEU 90 - HA THR 106 3.571% * 0.0204% (0.10 1.0 1.00 0.02 0.02) = 0.020% QG2 ILE 100 - HA PRO 59 3.571% * 0.0197% (0.09 1.0 1.00 0.02 0.24) = 0.020% QG2 ILE 100 - HA THR 106 3.571% * 0.0188% (0.09 1.0 1.00 0.02 0.02) = 0.019% QG1 VAL 94 - HA PRO 59 3.571% * 0.0179% (0.09 1.0 1.00 0.02 0.02) = 0.018% QG1 VAL 13 - HA SER 49 3.571% * 0.0169% (0.08 1.0 1.00 0.02 0.02) = 0.017% QD1 ILE 29 - HA SER 49 3.571% * 0.0169% (0.08 1.0 1.00 0.02 0.02) = 0.017% QD1 LEU 90 - HA SER 49 3.571% * 0.0117% (0.06 1.0 1.00 0.02 0.02) = 0.012% QG2 ILE 100 - HA SER 49 3.571% * 0.0107% (0.05 1.0 1.00 0.02 2.09) = 0.011% QG1 VAL 94 - HA SER 49 3.571% * 0.0098% (0.05 1.0 1.00 0.02 0.02) = 0.010% QD2 LEU 17 - HA PRO 59 3.571% * 0.0095% (0.05 1.0 1.00 0.02 0.02) = 0.009% QD2 LEU 17 - HA SER 49 3.571% * 0.0052% (0.02 1.0 1.00 0.02 0.02) = 0.005% Peak 558 (0.70, 4.26, 61.76 ppm): 44 chemical-shift based assignments, quality = 0.484, support = 3.33, residual support = 42.5: O QG2 VAL 94 - HA VAL 94 2.273% * 82.5642% (0.51 10.0 3.69 49.31) = 82.564% kept QG2 ILE 48 - HA SER 49 2.273% * 5.6084% (0.17 1.0 4.01 31.38) = 5.608% kept HG12 ILE 19 - HA VAL 94 2.273% * 3.1402% (0.48 1.0 0.81 0.17) = 3.140% kept QG2 THR 96 - HA VAL 94 2.273% * 2.8504% (0.81 1.0 0.43 0.63) = 2.850% kept QG2 ILE 48 - HA VAL 94 2.273% * 1.7930% (0.79 1.0 0.28 0.02) = 1.793% kept QG2 THR 96 - HA PRO 59 2.273% * 1.2829% (0.18 1.0 0.89 0.02) = 1.283% kept QG2 THR 96 - HA SER 49 2.273% * 0.9871% (0.18 1.0 0.69 0.54) = 0.987% QG2 ILE 101 - HA PRO 59 2.273% * 0.8045% (0.18 1.0 0.54 0.02) = 0.805% QG2 ILE 101 - HA VAL 94 2.273% * 0.1361% (0.84 1.0 0.02 0.02) = 0.136% QD1 ILE 19 - HA VAL 94 2.273% * 0.0935% (0.58 1.0 0.02 0.17) = 0.094% QG2 ILE 68 - HA VAL 94 2.273% * 0.0826% (0.51 1.0 0.02 0.02) = 0.083% HG LEU 74 - HA VAL 94 2.273% * 0.0716% (0.44 1.0 0.02 0.02) = 0.072% QG2 ILE 101 - HA THR 106 2.273% * 0.0399% (0.25 1.0 0.02 0.02) = 0.040% QG2 THR 96 - HA THR 106 2.273% * 0.0386% (0.24 1.0 0.02 0.02) = 0.039% QG2 ILE 48 - HA THR 106 2.273% * 0.0376% (0.23 1.0 0.02 0.02) = 0.038% QG2 ILE 101 - HA SER 49 2.273% * 0.0297% (0.18 1.0 0.02 3.93) = 0.030% QG2 ILE 48 - HA PRO 59 2.273% * 0.0281% (0.17 1.0 0.02 0.02) = 0.028% QD1 ILE 19 - HA THR 106 2.273% * 0.0274% (0.17 1.0 0.02 0.02) = 0.027% QG2 VAL 94 - HA THR 106 2.273% * 0.0242% (0.15 1.0 0.02 0.02) = 0.024% QG2 ILE 68 - HA THR 106 2.273% * 0.0242% (0.15 1.0 0.02 0.80) = 0.024% QG1 VAL 40 - HA VAL 94 2.273% * 0.0238% (0.15 1.0 0.02 0.02) = 0.024% HG12 ILE 19 - HA THR 106 2.273% * 0.0226% (0.14 1.0 0.02 0.02) = 0.023% HG LEU 74 - HA THR 106 2.273% * 0.0210% (0.13 1.0 0.02 0.02) = 0.021% QG1 VAL 62 - HA VAL 94 2.273% * 0.0210% (0.13 1.0 0.02 0.02) = 0.021% QD1 ILE 68 - HA VAL 94 2.273% * 0.0210% (0.13 1.0 0.02 0.02) = 0.021% QD1 ILE 19 - HA PRO 59 2.273% * 0.0205% (0.13 1.0 0.02 0.02) = 0.021% QD1 ILE 19 - HA SER 49 2.273% * 0.0204% (0.13 1.0 0.02 0.02) = 0.020% QG2 VAL 94 - HA PRO 59 2.273% * 0.0181% (0.11 1.0 0.02 0.02) = 0.018% QG2 ILE 68 - HA PRO 59 2.273% * 0.0181% (0.11 1.0 0.02 0.02) = 0.018% QG2 VAL 94 - HA SER 49 2.273% * 0.0180% (0.11 1.0 0.02 0.02) = 0.018% QG2 ILE 68 - HA SER 49 2.273% * 0.0180% (0.11 1.0 0.02 2.61) = 0.018% HG12 ILE 19 - HA PRO 59 2.273% * 0.0169% (0.10 1.0 0.02 0.02) = 0.017% HG12 ILE 19 - HA SER 49 2.273% * 0.0168% (0.10 1.0 0.02 0.02) = 0.017% HG LEU 74 - HA PRO 59 2.273% * 0.0157% (0.10 1.0 0.02 0.02) = 0.016% HG LEU 74 - HA SER 49 2.273% * 0.0156% (0.10 1.0 0.02 1.07) = 0.016% QG1 VAL 40 - HA THR 106 2.273% * 0.0070% (0.04 1.0 0.02 0.02) = 0.007% QG1 VAL 62 - HA THR 106 2.273% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% QD1 ILE 68 - HA THR 106 2.273% * 0.0062% (0.04 1.0 0.02 0.80) = 0.006% QG1 VAL 40 - HA PRO 59 2.273% * 0.0052% (0.03 1.0 0.02 0.02) = 0.005% QG1 VAL 40 - HA SER 49 2.273% * 0.0052% (0.03 1.0 0.02 0.02) = 0.005% QG1 VAL 62 - HA PRO 59 2.273% * 0.0046% (0.03 1.0 0.02 0.02) = 0.005% QD1 ILE 68 - HA PRO 59 2.273% * 0.0046% (0.03 1.0 0.02 0.02) = 0.005% QG1 VAL 62 - HA SER 49 2.273% * 0.0046% (0.03 1.0 0.02 0.02) = 0.005% QD1 ILE 68 - HA SER 49 2.273% * 0.0046% (0.03 1.0 0.02 2.61) = 0.005% Peak 559 (0.60, 0.86, 20.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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 (8.96, 1.14, 19.88 ppm): 6 chemical-shift based assignments, quality = 0.25, support = 2.28, residual support = 1.19: HN LEU 17 - QB ALA 33 16.667% * 54.2058% (0.24 2.93 1.64) = 54.206% kept HN ILE 19 - QB ALA 33 16.667% * 36.6463% (0.26 1.80 0.82) = 36.646% kept HN MET 97 - QB ALA 33 16.667% * 8.7048% (0.28 0.41 0.02) = 8.705% kept HN ARG+ 22 - QB ALA 33 16.667% * 0.1818% (0.12 0.02 0.02) = 0.182% HN THR 96 - QB ALA 33 16.667% * 0.1509% (0.10 0.02 0.02) = 0.151% HN PHE 21 - QB ALA 33 16.667% * 0.1103% (0.07 0.02 0.02) = 0.110% Peak 562 (8.78, 1.15, 19.89 ppm): 4 chemical-shift based assignments, quality = 0.204, support = 3.47, residual support = 5.88: HN PHE 34 - QB ALA 33 25.000% * 96.0442% (0.21 3.61 6.12) = 96.044% kept HN SER 69 - QB ALA 33 25.000% * 2.8093% (0.25 0.09 0.02) = 2.809% kept HN THR 95 - QB ALA 33 25.000% * 0.7778% (0.30 0.02 0.02) = 0.778% HN VAL 62 - QB ALA 33 25.000% * 0.3687% (0.14 0.02 0.02) = 0.369% Peak 563 (8.20, 1.14, 19.89 ppm): 6 chemical-shift based assignments, quality = 0.25, support = 3.36, residual support = 7.62: O HN ALA 33 - QB ALA 33 16.667% * 99.5969% (0.25 10.0 3.37 7.65) = 99.597% kept HN GLU- 45 - QB ALA 33 16.667% * 0.1115% (0.28 1.0 0.02 0.02) = 0.112% HN ALA 11 - QB ALA 33 16.667% * 0.1039% (0.26 1.0 0.02 0.02) = 0.104% HN VAL 105 - QB ALA 33 16.667% * 0.0854% (0.22 1.0 0.02 0.02) = 0.085% HN VAL 94 - QB ALA 33 16.667% * 0.0805% (0.20 1.0 0.02 0.02) = 0.080% HN SER 49 - QB ALA 33 16.667% * 0.0218% (0.05 1.0 0.02 0.02) = 0.022% Peak 564 (4.95, 1.14, 19.89 ppm): 4 chemical-shift based assignments, quality = 0.259, support = 2.03, residual support = 6.95: O HA ALA 33 - QB ALA 33 25.000% * 89.0304% (0.26 10.0 2.02 7.65) = 89.030% kept HA ILE 101 - QB ALA 33 25.000% * 10.3106% (0.27 1.0 2.23 1.34) = 10.311% kept HA HIS+ 98 - QB ALA 33 25.000% * 0.6112% (0.31 1.0 0.11 0.02) = 0.611% HA MET 97 - QB ALA 33 25.000% * 0.0478% (0.14 1.0 0.02 0.02) = 0.048% Peak 565 (4.49, 1.15, 19.90 ppm): 5 chemical-shift based assignments, quality = 0.287, support = 2.33, residual support = 13.7: HA LYS+ 32 - QB ALA 33 20.000% * 90.7105% (0.30 2.54 15.04) = 90.710% kept HA GLN 102 - QB ALA 33 20.000% * 7.6497% (0.18 0.36 0.76) = 7.650% kept HA SER 77 - QB ALA 33 20.000% * 0.7364% (0.31 0.02 0.02) = 0.736% HB THR 79 - QB ALA 33 20.000% * 0.4838% (0.20 0.02 0.02) = 0.484% HA ILE 100 - QB ALA 33 20.000% * 0.4197% (0.18 0.02 0.10) = 0.420% Peak 566 (4.32, 1.38, 19.93 ppm): 12 chemical-shift based assignments, quality = 0.561, support = 1.36, residual support = 6.76: O T HA ALA 93 - QB ALA 93 8.333% * 95.2267% (0.58 10.0 10.00 1.42 7.10) = 95.227% kept T HA ALA 93 - QB ALA 11 8.333% * 3.2024% (0.22 1.0 10.00 0.18 0.02) = 3.202% kept T HA ILE 29 - QB ALA 93 8.333% * 0.8810% (0.54 1.0 10.00 0.02 0.02) = 0.881% T HA ALA 93 - QB ALA 37 8.333% * 0.2858% (0.17 1.0 10.00 0.02 0.02) = 0.286% T HA ILE 29 - QB ALA 37 8.333% * 0.2644% (0.16 1.0 10.00 0.02 0.02) = 0.264% HA ASP- 36 - QB ALA 93 8.333% * 0.0428% (0.26 1.0 1.00 0.02 0.02) = 0.043% HA ILE 29 - QB ALA 11 8.333% * 0.0327% (0.20 1.0 1.00 0.02 0.02) = 0.033% HA THR 106 - QB ALA 93 8.333% * 0.0212% (0.13 1.0 1.00 0.02 0.02) = 0.021% HA ASP- 36 - QB ALA 11 8.333% * 0.0159% (0.10 1.0 1.00 0.02 0.02) = 0.016% HA ASP- 36 - QB ALA 37 8.333% * 0.0128% (0.08 1.0 1.00 0.02 17.04) = 0.013% HA THR 106 - QB ALA 11 8.333% * 0.0079% (0.05 1.0 1.00 0.02 0.02) = 0.008% HA THR 106 - QB ALA 37 8.333% * 0.0064% (0.04 1.0 1.00 0.02 0.02) = 0.006% 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): 12 chemical-shift based assignments, quality = 0.707, support = 1.24, residual support = 4.2: HG3 GLU- 64 - HA LYS+ 44 8.333% * 28.9200% (0.93 1.36 0.56) = 28.920% kept HG2 GLU- 45 - HA LYS+ 44 8.333% * 25.9226% (0.57 2.01 13.57) = 25.923% kept HB VAL 47 - HA LYS+ 44 8.333% * 13.3318% (0.78 0.75 2.93) = 13.332% kept HG2 GLU- 64 - HA LYS+ 44 8.333% * 10.9365% (0.72 0.66 0.56) = 10.937% kept HB3 GLU- 75 - HA LYS+ 44 8.333% * 10.5178% (0.66 0.70 0.58) = 10.518% kept HB3 PRO 35 - HA LYS+ 44 8.333% * 8.7197% (0.45 0.86 0.02) = 8.720% kept HA1 GLY 58 - HA LYS+ 44 8.333% * 0.4483% (0.24 0.08 0.02) = 0.448% HB3 LYS+ 78 - HA LYS+ 44 8.333% * 0.4026% (0.88 0.02 0.02) = 0.403% HB2 ASP- 28 - HA LYS+ 44 8.333% * 0.3817% (0.84 0.02 0.02) = 0.382% HB VAL 105 - HA LYS+ 44 8.333% * 0.1750% (0.38 0.02 0.02) = 0.175% HG2 PRO 104 - HA LYS+ 44 8.333% * 0.1597% (0.35 0.02 0.02) = 0.160% HB VAL 87 - HA LYS+ 44 8.333% * 0.0842% (0.18 0.02 0.02) = 0.084% Peak 570 (1.89, 1.15, 19.91 ppm): 7 chemical-shift based assignments, quality = 0.353, support = 0.544, residual support = 0.878: T HG2 GLU- 18 - QB ALA 33 14.286% * 83.6834% (0.36 10.00 0.53 0.38) = 83.683% kept HB3 GLN 16 - QB ALA 33 14.286% * 11.9080% (0.36 1.00 0.75 4.49) = 11.908% kept HB3 GLN 102 - QB ALA 33 14.286% * 3.8199% (0.24 1.00 0.36 0.76) = 3.820% kept HB3 ARG+ 53 - QB ALA 33 14.286% * 0.2905% (0.33 1.00 0.02 0.02) = 0.291% HD3 LYS+ 63 - QB ALA 33 14.286% * 0.1452% (0.16 1.00 0.02 0.02) = 0.145% HB3 GLU- 56 - QB ALA 33 14.286% * 0.0808% (0.09 1.00 0.02 0.02) = 0.081% HB2 LEU 23 - QB ALA 33 14.286% * 0.0721% (0.08 1.00 0.02 0.02) = 0.072% Peak 571 (1.68, 1.41, 19.78 ppm): 7 chemical-shift based assignments, quality = 0.555, support = 0.02, residual support = 0.02: T HB ILE 100 - QB ALA 93 14.286% * 49.7828% (0.39 10.00 0.02 0.02) = 49.783% kept HD3 LYS+ 55 - QB ALA 93 14.286% * 11.1040% (0.88 1.00 0.02 0.02) = 11.104% kept HG13 ILE 19 - QB ALA 93 14.286% * 10.8841% (0.86 1.00 0.02 0.02) = 10.884% kept HB3 LYS+ 81 - QB ALA 93 14.286% * 8.8914% (0.70 1.00 0.02 0.02) = 8.891% kept HG3 ARG+ 84 - QB ALA 93 14.286% * 8.4860% (0.67 1.00 0.02 0.02) = 8.486% kept HB3 MET 97 - QB ALA 93 14.286% * 6.2866% (0.50 1.00 0.02 0.02) = 6.287% kept HB3 LYS+ 66 - QB ALA 93 14.286% * 4.5650% (0.36 1.00 0.02 0.02) = 4.565% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 572 (1.71, 1.15, 20.01 ppm): 3 chemical-shift based assignments, quality = 0.619, support = 1.79, residual support = 4.43: T HB2 GLN 16 - QB ALA 33 33.333% * 98.3006% (0.63 10.00 1.80 4.49) = 98.301% kept HB ILE 48 - QB ALA 33 33.333% * 1.6824% (0.14 1.00 1.37 0.85) = 1.682% kept HG13 ILE 19 - QB ALA 33 33.333% * 0.0170% (0.10 1.00 0.02 0.82) = 0.017% Peak 573 (1.62, 4.25, 61.41 ppm): 14 chemical-shift based assignments, quality = 0.724, support = 0.199, residual support = 0.205: HG LEU 23 - HA PRO 59 7.143% * 61.1633% (0.86 0.27 0.30) = 61.163% kept HB3 ARG+ 22 - HA PRO 59 7.143% * 13.5165% (0.22 0.23 0.15) = 13.516% kept HG LEU 43 - HA PRO 59 7.143% * 4.7120% (0.89 0.02 0.02) = 4.712% kept HB ILE 68 - HA PRO 59 7.143% * 4.7120% (0.89 0.02 0.02) = 4.712% kept HG12 ILE 101 - HA PRO 59 7.143% * 4.6807% (0.89 0.02 0.02) = 4.681% kept HG3 LYS+ 78 - HA PRO 59 7.143% * 4.3594% (0.83 0.02 0.02) = 4.359% kept HD3 LYS+ 32 - HA PRO 59 7.143% * 1.4576% (0.28 0.02 0.02) = 1.458% kept HB ILE 68 - HA VAL 94 7.143% * 0.9915% (0.19 0.02 0.02) = 0.991% HG LEU 43 - HA VAL 94 7.143% * 0.9915% (0.19 0.02 0.02) = 0.991% HG12 ILE 101 - HA VAL 94 7.143% * 0.9849% (0.19 0.02 0.02) = 0.985% HG LEU 23 - HA VAL 94 7.143% * 0.9590% (0.18 0.02 0.02) = 0.959% HG3 LYS+ 78 - HA VAL 94 7.143% * 0.9173% (0.17 0.02 0.02) = 0.917% HD3 LYS+ 32 - HA VAL 94 7.143% * 0.3067% (0.06 0.02 0.02) = 0.307% HB3 ARG+ 22 - HA VAL 94 7.143% * 0.2478% (0.05 0.02 0.02) = 0.248% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 574 (1.41, 4.32, 61.41 ppm): 11 chemical-shift based assignments, quality = 0.227, support = 0.182, residual support = 0.166: HD3 LYS+ 20 - HA ILE 29 9.091% * 50.9156% (0.20 0.31 0.29) = 50.916% kept HG13 ILE 68 - HA ILE 29 9.091% * 8.7407% (0.07 0.16 0.02) = 8.741% kept QB ALA 37 - HA ILE 29 9.091% * 6.1137% (0.37 0.02 0.02) = 6.114% kept HG LEU 67 - HA ILE 29 9.091% * 5.5319% (0.34 0.02 0.02) = 5.532% kept HG13 ILE 100 - HA ILE 29 9.091% * 5.3505% (0.33 0.02 0.02) = 5.351% kept QB ALA 93 - HA ILE 29 9.091% * 5.3505% (0.33 0.02 0.02) = 5.351% kept HD3 LYS+ 44 - HA ILE 29 9.091% * 5.1521% (0.31 0.02 0.02) = 5.152% kept QB ALA 91 - HA ILE 29 9.091% * 4.4791% (0.27 0.02 0.24) = 4.479% kept QG2 THR 38 - HA ILE 29 9.091% * 3.9903% (0.24 0.02 0.02) = 3.990% kept HG3 LYS+ 55 - HA ILE 29 9.091% * 3.0024% (0.18 0.02 0.02) = 3.002% kept HG LEU 90 - HA ILE 29 9.091% * 1.3733% (0.08 0.02 0.02) = 1.373% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 575 (1.32, 1.16, 19.85 ppm): 3 chemical-shift based assignments, quality = 0.16, support = 0.575, residual support = 0.279: QG2 THR 46 - QB ALA 33 33.333% * 66.9380% (0.19 0.59 0.32) = 66.938% kept QB ALA 103 - QB ALA 33 33.333% * 32.4344% (0.10 0.55 0.20) = 32.434% kept HB2 LYS+ 55 - QB ALA 33 33.333% * 0.6276% (0.05 0.02 0.02) = 0.628% 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): 4 chemical-shift based assignments, quality = 0.264, support = 0.101, residual support = 0.0854: QG2 ILE 100 - QB ALA 33 25.000% * 78.9491% (0.28 0.12 0.10) = 78.949% kept QD1 LEU 90 - QB ALA 33 25.000% * 12.8850% (0.28 0.02 0.02) = 12.885% kept QG2 VAL 13 - QB ALA 33 25.000% * 5.2972% (0.11 0.02 0.02) = 5.297% kept QG1 VAL 80 - QB ALA 33 25.000% * 2.8687% (0.06 0.02 0.02) = 2.869% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 581 (0.75, 3.52, 61.28 ppm): 5 chemical-shift based assignments, quality = 0.82, support = 1.3, residual support = 16.6: O HG3 LYS+ 44 - HA LYS+ 44 20.000% * 95.0028% (0.84 10.0 1.32 17.45) = 95.003% kept QG2 ILE 48 - HA LYS+ 44 20.000% * 3.7268% (0.39 1.0 1.12 0.02) = 3.727% kept HG3 LYS+ 66 - HA LYS+ 44 20.000% * 1.1663% (0.64 1.0 0.21 0.02) = 1.166% kept QD1 ILE 68 - HA LYS+ 44 20.000% * 0.0547% (0.32 1.0 0.02 0.02) = 0.055% QG1 VAL 40 - HA LYS+ 44 20.000% * 0.0495% (0.29 1.0 0.02 0.38) = 0.049% Peak 582 (0.74, 1.15, 20.06 ppm): 7 chemical-shift based assignments, quality = 0.356, support = 0.678, residual support = 0.869: QG2 ILE 48 - QB ALA 33 14.286% * 54.8518% (0.39 0.78 0.85) = 54.852% kept QG2 ILE 101 - QB ALA 33 14.286% * 29.8227% (0.20 0.81 1.34) = 29.823% kept QD1 ILE 68 - QB ALA 33 14.286% * 8.6971% (0.54 0.09 0.02) = 8.697% kept HG3 LYS+ 66 - QB ALA 33 14.286% * 2.6291% (0.73 0.02 0.02) = 2.629% kept QG1 VAL 40 - QB ALA 33 14.286% * 1.8424% (0.51 0.02 0.02) = 1.842% kept HG3 LYS+ 44 - QB ALA 33 14.286% * 1.4112% (0.39 0.02 0.02) = 1.411% kept HG LEU 74 - QB ALA 33 14.286% * 0.7458% (0.21 0.02 0.53) = 0.746% 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 = 0.328, support = 1.51, residual support = 3.28: O HN ALA 11 - QB ALA 11 10.000% * 55.0808% (0.10 10.0 1.47 4.27) = 55.081% kept HN GLU- 12 - QB ALA 11 10.000% * 41.0953% (0.66 1.0 1.69 2.26) = 41.095% kept HN VAL 94 - QB ALA 11 10.000% * 1.3960% (0.18 1.0 0.21 0.02) = 1.396% kept HN LEU 67 - QB ALA 11 10.000% * 0.4759% (0.64 1.0 0.02 0.02) = 0.476% HN LYS+ 81 - QB ALA 11 10.000% * 0.4759% (0.64 1.0 0.02 0.02) = 0.476% HN GLY 58 - QB ALA 11 10.000% * 0.4482% (0.61 1.0 0.02 0.02) = 0.448% HN SER 49 - QB ALA 11 10.000% * 0.3888% (0.53 1.0 0.02 0.02) = 0.389% HN THR 106 - QB ALA 11 10.000% * 0.3526% (0.48 1.0 0.02 0.02) = 0.353% HN GLN 16 - QB ALA 11 10.000% * 0.1656% (0.22 1.0 0.02 0.02) = 0.166% HN VAL 105 - QB ALA 11 10.000% * 0.1211% (0.16 1.0 0.02 0.02) = 0.121% Peak 587 (4.26, 1.35, 19.48 ppm): 21 chemical-shift based assignments, quality = 0.506, support = 1.35, residual support = 4.08: O HA ALA 11 - QB ALA 11 4.762% * 88.0554% (0.54 10.0 1.27 4.27) = 88.055% kept HA GLU- 10 - QB ALA 11 4.762% * 8.4171% (0.25 1.0 2.64 3.82) = 8.417% kept HA VAL 94 - QB ALA 11 4.762% * 1.8832% (0.34 1.0 0.43 0.02) = 1.883% kept HA GLU- 56 - QB ALA 11 4.762% * 0.1518% (0.59 1.0 0.02 0.02) = 0.152% HA GLU- 75 - QB ALA 11 4.762% * 0.1494% (0.59 1.0 0.02 0.02) = 0.149% HA GLU- 107 - QB ALA 11 4.762% * 0.1494% (0.59 1.0 0.02 0.02) = 0.149% HA ASN 76 - QB ALA 11 4.762% * 0.1465% (0.57 1.0 0.02 0.02) = 0.146% HA GLU- 64 - QB ALA 11 4.762% * 0.1465% (0.57 1.0 0.02 0.02) = 0.146% HA PRO 59 - QB ALA 11 4.762% * 0.1064% (0.42 1.0 0.02 0.02) = 0.106% HA VAL 65 - QB ALA 11 4.762% * 0.1064% (0.42 1.0 0.02 0.02) = 0.106% HA SER 85 - QB ALA 11 4.762% * 0.0939% (0.37 1.0 0.02 0.02) = 0.094% HA ARG+ 84 - QB ALA 11 4.762% * 0.0939% (0.37 1.0 0.02 0.02) = 0.094% HA PRO 52 - QB ALA 11 4.762% * 0.0939% (0.37 1.0 0.02 0.02) = 0.094% HD3 PRO 59 - QB ALA 11 4.762% * 0.0939% (0.37 1.0 0.02 0.02) = 0.094% HA LYS+ 108 - QB ALA 11 4.762% * 0.0637% (0.25 1.0 0.02 0.02) = 0.064% HA GLU- 54 - QB ALA 11 4.762% * 0.0637% (0.25 1.0 0.02 0.02) = 0.064% HA LEU 90 - QB ALA 11 4.762% * 0.0478% (0.19 1.0 0.02 0.02) = 0.048% HB3 SER 49 - QB ALA 11 4.762% * 0.0410% (0.16 1.0 0.02 0.02) = 0.041% HA ALA 42 - QB ALA 11 4.762% * 0.0386% (0.15 1.0 0.02 0.02) = 0.039% HA SER 49 - QB ALA 11 4.762% * 0.0306% (0.12 1.0 0.02 0.02) = 0.031% HA GLU- 18 - QB ALA 11 4.762% * 0.0271% (0.11 1.0 0.02 0.02) = 0.027% 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): 12 chemical-shift based assignments, quality = 0.0409, support = 0.586, residual support = 0.114: HG3 ARG+ 22 - HA PRO 59 8.333% * 40.1856% (0.03 0.98 0.15) = 40.186% kept HB3 LYS+ 20 - HA PRO 59 8.333% * 30.6653% (0.06 0.42 0.11) = 30.665% kept HG13 ILE 100 - HA PRO 59 8.333% * 6.7073% (0.02 0.34 0.24) = 6.707% kept HG LEU 67 - HA PRO 59 8.333% * 6.1905% (0.01 0.35 0.02) = 6.191% kept QB ALA 93 - HA PRO 59 8.333% * 6.1169% (0.02 0.31 0.02) = 6.117% kept QG2 THR 39 - HA PRO 59 8.333% * 1.9865% (0.08 0.02 0.02) = 1.987% kept HG2 LYS+ 78 - HA PRO 59 8.333% * 1.9646% (0.08 0.02 0.02) = 1.965% kept HG13 ILE 68 - HA PRO 59 8.333% * 1.7975% (0.07 0.02 0.02) = 1.798% kept QB ALA 11 - HA PRO 59 8.333% * 1.5317% (0.06 0.02 0.02) = 1.532% kept HB3 LEU 17 - HA PRO 59 8.333% * 1.0545% (0.04 0.02 0.02) = 1.054% kept HD3 LYS+ 20 - HA PRO 59 8.333% * 0.9756% (0.04 0.02 0.11) = 0.976% HG3 LYS+ 81 - HA PRO 59 8.333% * 0.8240% (0.03 0.02 0.02) = 0.824% Not enough quality. 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: 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: Peak unassigned. Peak 675 (7.77, 1.43, 18.94 ppm): 3 chemical-shift based assignments, quality = 0.773, support = 0.594, residual support = 0.716: HN ALA 37 - QB ALA 91 33.333% * 97.1542% (0.79 0.61 0.74) = 97.154% kept HN THR 46 - QB ALA 91 33.333% * 1.4908% (0.37 0.02 0.02) = 1.491% kept HN VAL 87 - QB ALA 91 33.333% * 1.3549% (0.33 0.02 0.02) = 1.355% 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): 13 chemical-shift based assignments, quality = 0.836, support = 0.939, residual support = 0.659: O HA ALA 91 - QB ALA 91 7.692% * 59.5331% (0.93 10.0 1.00 1.00 0.62) = 59.533% kept T HA ALA 37 - QB ALA 91 7.692% * 39.6397% (0.71 1.0 10.00 0.87 0.74) = 39.640% kept HA SER 88 - QB ALA 91 7.692% * 0.1248% (0.97 1.0 1.00 0.02 0.02) = 0.125% HA ASN 57 - QB ALA 91 7.692% * 0.1092% (0.85 1.0 1.00 0.02 0.02) = 0.109% HA THR 95 - QB ALA 91 7.692% * 0.1051% (0.82 1.0 1.00 0.02 0.02) = 0.105% HA SER 27 - QB ALA 91 7.692% * 0.0962% (0.75 1.0 1.00 0.02 0.02) = 0.096% HA PRO 104 - QB ALA 91 7.692% * 0.0914% (0.71 1.0 1.00 0.02 0.02) = 0.091% HA LYS+ 60 - QB ALA 91 7.692% * 0.0763% (0.60 1.0 1.00 0.02 0.02) = 0.076% HA TRP 51 - QB ALA 91 7.692% * 0.0713% (0.56 1.0 1.00 0.02 0.02) = 0.071% HA PRO 86 - QB ALA 91 7.692% * 0.0472% (0.37 1.0 1.00 0.02 0.02) = 0.047% HB THR 61 - QB ALA 91 7.692% * 0.0429% (0.34 1.0 1.00 0.02 0.02) = 0.043% HA2 GLY 26 - QB ALA 91 7.692% * 0.0314% (0.25 1.0 1.00 0.02 0.02) = 0.031% HA HIS+ 14 - QB ALA 91 7.692% * 0.0314% (0.25 1.0 1.00 0.02 0.02) = 0.031% 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: 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 = 2.01, residual support = 7.29: HN THR 39 - QB ALA 42 25.000% * 93.4931% (0.64 2.14 7.80) = 93.493% kept HN VAL 80 - QB ALA 42 25.000% * 4.5631% (0.60 0.11 0.02) = 4.563% kept HN LYS+ 20 - QB ALA 42 25.000% * 1.3384% (0.99 0.02 0.02) = 1.338% kept HN VAL 73 - QB ALA 42 25.000% * 0.6054% (0.45 0.02 0.02) = 0.605% Peak 699 (8.00, 1.56, 18.43 ppm): 2 chemical-shift based assignments, quality = 0.674, support = 3.95, residual support = 14.8: HN LEU 43 - QB ALA 42 50.000% * 81.6242% (0.71 4.52 18.07) = 81.624% kept HN SER 27 - QB ALA 42 50.000% * 18.3758% (0.51 1.40 0.20) = 18.376% kept Peak 700 (7.74, 1.56, 18.48 ppm): 2 chemical-shift based assignments, quality = 0.645, support = 3.52, residual support = 15.4: O HN ALA 42 - QB ALA 42 50.000% * 97.2022% (0.64 10.0 3.60 15.85) = 97.202% kept HN ALA 37 - QB ALA 42 50.000% * 2.7978% (0.72 1.0 0.51 0.02) = 2.798% kept Peak 701 (4.23, 1.56, 18.49 ppm): 16 chemical-shift based assignments, quality = 0.98, support = 2.87, residual support = 15.7: O HA ALA 42 - QB ALA 42 6.250% * 98.9815% (0.99 10.0 2.90 15.85) = 98.982% kept HA ASN 76 - QB ALA 42 6.250% * 0.1820% (0.44 1.0 0.08 0.02) = 0.182% HA SER 49 - QB ALA 42 6.250% * 0.0972% (0.97 1.0 0.02 0.02) = 0.097% HA GLU- 18 - QB ALA 42 6.250% * 0.0957% (0.96 1.0 0.02 0.02) = 0.096% HA LYS+ 108 - QB ALA 42 6.250% * 0.0957% (0.96 1.0 0.02 0.02) = 0.096% HA GLU- 54 - QB ALA 42 6.250% * 0.0957% (0.96 1.0 0.02 0.02) = 0.096% HA GLU- 10 - QB ALA 42 6.250% * 0.0957% (0.96 1.0 0.02 0.02) = 0.096% HA PRO 59 - QB ALA 42 6.250% * 0.0758% (0.76 1.0 0.02 0.02) = 0.076% HA GLU- 12 - QB ALA 42 6.250% * 0.0562% (0.56 1.0 0.02 0.02) = 0.056% HA ALA 11 - QB ALA 42 6.250% * 0.0522% (0.52 1.0 0.02 0.02) = 0.052% HB3 SER 49 - QB ALA 42 6.250% * 0.0441% (0.44 1.0 0.02 0.02) = 0.044% HA GLU- 107 - QB ALA 42 6.250% * 0.0408% (0.41 1.0 0.02 0.02) = 0.041% HA GLU- 56 - QB ALA 42 6.250% * 0.0372% (0.37 1.0 0.02 0.02) = 0.037% HA GLU- 75 - QB ALA 42 6.250% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% HA ASP- 82 - QB ALA 42 6.250% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% HA GLU- 64 - QB ALA 42 6.250% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% Peak 702 (4.03, 1.56, 18.52 ppm): 6 chemical-shift based assignments, quality = 0.245, support = 0.831, residual support = 1.32: HA THR 38 - QB ALA 42 16.667% * 38.0289% (0.30 0.75 1.57) = 38.029% kept HB THR 38 - QB ALA 42 16.667% * 35.2976% (0.19 1.09 1.57) = 35.298% kept HB THR 95 - QB ALA 42 16.667% * 21.5781% (0.17 0.75 0.75) = 21.578% kept HA VAL 13 - QB ALA 42 16.667% * 2.2569% (0.66 0.02 0.02) = 2.257% kept HB3 SER 85 - QB ALA 42 16.667% * 2.1255% (0.62 0.02 0.02) = 2.125% kept HB3 SER 49 - QB ALA 42 16.667% * 0.7129% (0.21 0.02 0.02) = 0.713% 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 708 (1.16, 1.56, 18.54 ppm): 6 chemical-shift based assignments, quality = 0.708, support = 3.11, residual support = 16.8: HB2 LEU 43 - QB ALA 42 16.667% * 92.7166% (0.73 3.35 18.07) = 92.717% kept QG2 THR 106 - QB ALA 42 16.667% * 4.8509% (0.62 0.20 0.02) = 4.851% kept HB2 LEU 74 - QB ALA 42 16.667% * 1.0631% (0.34 0.08 0.02) = 1.063% kept HG3 PRO 59 - QB ALA 42 16.667% * 0.6680% (0.88 0.02 0.02) = 0.668% QB ALA 33 - QB ALA 42 16.667% * 0.5289% (0.69 0.02 0.02) = 0.529% HG3 LYS+ 32 - QB ALA 42 16.667% * 0.1726% (0.23 0.02 0.02) = 0.173% Peak 710 (1.07, 1.56, 18.56 ppm): 1 chemical-shift based assignment, quality = 0.596, support = 0.547, residual support = 0.751: QG2 THR 95 - QB ALA 42 100.000% *100.0000% (0.60 0.55 0.75) = 100.000% kept Peak 712 (0.93, 1.56, 18.58 ppm): 13 chemical-shift based assignments, quality = 0.651, support = 0.278, residual support = 0.0196: QG2 VAL 105 - QB ALA 42 7.692% * 21.2667% (0.76 0.32 0.02) = 21.267% kept QG1 VAL 105 - QB ALA 42 7.692% * 20.2643% (0.71 0.33 0.02) = 20.264% kept QG2 VAL 80 - QB ALA 42 7.692% * 16.7719% (0.80 0.24 0.02) = 16.772% kept HG12 ILE 68 - QB ALA 42 7.692% * 13.9754% (0.85 0.19 0.02) = 13.975% kept QD1 LEU 67 - QB ALA 42 7.692% * 8.5341% (0.26 0.37 0.02) = 8.534% kept QG2 VAL 40 - QB ALA 42 7.692% * 7.3378% (0.17 0.50 0.02) = 7.338% kept HB2 ARG+ 84 - QB ALA 42 7.692% * 5.4153% (0.78 0.08 0.02) = 5.415% kept QG1 VAL 47 - QB ALA 42 7.692% * 3.0616% (0.21 0.17 0.02) = 3.062% kept QD1 LEU 17 - QB ALA 42 7.692% * 1.2897% (0.73 0.02 0.02) = 1.290% kept QG2 VAL 62 - QB ALA 42 7.692% * 0.7237% (0.41 0.02 0.02) = 0.724% QG2 VAL 73 - QB ALA 42 7.692% * 0.5580% (0.32 0.02 0.02) = 0.558% QG2 ILE 29 - QB ALA 42 7.692% * 0.5072% (0.29 0.02 0.02) = 0.507% QG2 VAL 87 - QB ALA 42 7.692% * 0.2942% (0.17 0.02 0.02) = 0.294% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 715 (0.39, 3.87, 59.82 ppm): 2 chemical-shift based assignments, quality = 0.861, support = 3.11, residual support = 9.41: T QD1 ILE 48 - HA GLU- 45 50.000% * 88.1613% (0.86 10.00 3.17 9.41) = 88.161% kept HG12 ILE 48 - HA GLU- 45 50.000% * 11.8387% (0.86 1.00 2.69 9.41) = 11.839% kept Peak 716 (8.37, 1.31, 18.21 ppm): 3 chemical-shift based assignments, quality = 0.577, support = 2.64, residual support = 7.69: O HN ALA 103 - QB ALA 103 33.333% * 99.6931% (0.58 10.0 2.64 7.72) = 99.693% kept HN GLY 71 - QB ALA 103 33.333% * 0.1644% (0.95 1.0 0.02 0.02) = 0.164% HN LYS+ 108 - QB ALA 103 33.333% * 0.1426% (0.83 1.0 0.02 0.02) = 0.143% Peak 717 (8.23, 3.87, 59.76 ppm): 10 chemical-shift based assignments, quality = 0.598, support = 4.2, residual support = 32.3: O HN GLU- 45 - HA GLU- 45 10.000% * 56.1953% (0.37 10.0 5.61 55.69) = 56.195% kept HN SER 49 - HA GLU- 45 10.000% * 26.2341% (1.00 1.0 3.50 3.80) = 26.234% kept HN LEU 67 - HA GLU- 45 10.000% * 5.3813% (0.89 1.0 0.80 0.12) = 5.381% kept HN LYS+ 81 - HA GLU- 45 10.000% * 4.0561% (0.89 1.0 0.60 0.02) = 4.056% kept HN ALA 11 - HA GLU- 45 10.000% * 3.7180% (0.45 1.0 1.11 0.87) = 3.718% kept HN VAL 105 - HA GLU- 45 10.000% * 2.9181% (0.60 1.0 0.64 0.23) = 2.918% kept HN VAL 94 - HA GLU- 45 10.000% * 1.1816% (0.64 1.0 0.24 0.02) = 1.182% kept HN GLY 58 - HA GLU- 45 10.000% * 0.1445% (0.96 1.0 0.02 0.02) = 0.144% HN GLU- 12 - HA GLU- 45 10.000% * 0.1199% (0.80 1.0 0.02 0.02) = 0.120% HN THR 106 - HA GLU- 45 10.000% * 0.0511% (0.34 1.0 0.02 0.02) = 0.051% Peak 718 (8.26, 3.69, 59.69 ppm): 9 chemical-shift based assignments, quality = 0.495, support = 4.27, residual support = 36.9: O HN LYS+ 81 - HA LYS+ 81 11.111% * 74.6893% (0.39 10.0 5.11 49.00) = 74.689% kept HN THR 106 - HA LYS+ 81 11.111% * 18.4048% (0.84 1.0 2.29 1.85) = 18.405% kept HN GLN 16 - HA LYS+ 81 11.111% * 5.0471% (0.81 1.0 0.66 0.02) = 5.047% kept HN GLU- 12 - HA LYS+ 81 11.111% * 1.3048% (0.49 1.0 0.28 0.02) = 1.305% kept HN ASN 89 - HA LYS+ 81 11.111% * 0.3596% (0.39 1.0 0.10 0.02) = 0.360% HN LEU 67 - HA LYS+ 81 11.111% * 0.0747% (0.39 1.0 0.02 0.02) = 0.075% HN GLY 58 - HA LYS+ 81 11.111% * 0.0568% (0.30 1.0 0.02 0.02) = 0.057% HN SER 49 - HA LYS+ 81 11.111% * 0.0371% (0.19 1.0 0.02 0.02) = 0.037% HN ASP- 28 - HA LYS+ 81 11.111% * 0.0257% (0.13 1.0 0.02 0.02) = 0.026% Peak 719 (4.53, 1.30, 18.21 ppm): 5 chemical-shift based assignments, quality = 0.927, support = 2.62, residual support = 7.55: O HA ALA 103 - QB ALA 103 20.000% * 97.8067% (0.93 10.0 2.66 7.72) = 97.807% kept HB THR 46 - QB ALA 103 20.000% * 2.0950% (0.63 1.0 0.64 0.40) = 2.095% kept HA LEU 17 - QB ALA 103 20.000% * 0.0574% (0.55 1.0 0.02 0.02) = 0.057% HA LYS+ 55 - QB ALA 103 20.000% * 0.0253% (0.24 1.0 0.02 0.02) = 0.025% HB THR 79 - QB ALA 103 20.000% * 0.0156% (0.15 1.0 0.02 0.02) = 0.016% Peak 720 (4.50, 4.38, 18.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 721 (4.25, 4.36, 18.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 = 3.22, residual support = 12.6: T HD3 PRO 104 - QB ALA 103 50.000% * 99.9414% (0.75 10.00 3.22 12.58) = 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): 1 chemical-shift based assignment, quality = 0.239, support = 2.93, residual support = 12.6: T HD2 PRO 104 - QB ALA 103 100.000% *100.0000% (0.24 10.00 2.93 12.58) = 100.000% kept Peak 726 (2.05, 3.87, 59.76 ppm): 13 chemical-shift based assignments, quality = 0.757, support = 4.27, residual support = 48.9: O T HB2 GLU- 45 - HA GLU- 45 7.692% * 60.3157% (0.99 10.0 10.00 4.81 55.69) = 60.316% kept O T HB3 GLU- 45 - HA GLU- 45 7.692% * 27.2829% (0.45 10.0 10.00 4.42 55.69) = 27.283% kept T HB3 PRO 35 - HA GLU- 45 7.692% * 8.6259% (0.16 1.0 10.00 1.81 1.17) = 8.626% kept T HG3 PRO 86 - HA GLU- 45 7.692% * 2.7298% (0.94 1.0 10.00 0.09 0.02) = 2.730% kept HB3 GLU- 75 - HA GLU- 45 7.692% * 0.6850% (0.70 1.0 1.00 0.32 0.02) = 0.685% T HB3 GLU- 54 - HA GLU- 45 7.692% * 0.2502% (0.41 1.0 10.00 0.02 0.02) = 0.250% HB VAL 62 - HA GLU- 45 7.692% * 0.0228% (0.37 1.0 1.00 0.02 1.13) = 0.023% HG3 GLU- 64 - HA GLU- 45 7.692% * 0.0198% (0.32 1.0 1.00 0.02 1.10) = 0.020% HB3 GLU- 10 - HA GLU- 45 7.692% * 0.0188% (0.31 1.0 1.00 0.02 0.02) = 0.019% HB ILE 101 - HA GLU- 45 7.692% * 0.0169% (0.28 1.0 1.00 0.02 0.13) = 0.017% HB3 PRO 31 - HA GLU- 45 7.692% * 0.0152% (0.25 1.0 1.00 0.02 0.02) = 0.015% HA1 GLY 58 - HA GLU- 45 7.692% * 0.0088% (0.14 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 107 - HA GLU- 45 7.692% * 0.0082% (0.13 1.0 1.00 0.02 0.02) = 0.008% 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): 8 chemical-shift based assignments, quality = 0.934, support = 4.02, residual support = 46.9: O T HB3 LYS+ 81 - HA LYS+ 81 12.500% * 95.7282% (0.94 10.0 10.00 4.16 49.00) = 95.728% kept HG3 ARG+ 84 - HA LYS+ 81 12.500% * 3.8619% (0.93 1.0 1.00 0.81 0.56) = 3.862% kept HB3 MET 97 - HA LYS+ 81 12.500% * 0.0860% (0.84 1.0 1.00 0.02 0.02) = 0.086% HD3 LYS+ 55 - HA LYS+ 81 12.500% * 0.0801% (0.79 1.0 1.00 0.02 0.02) = 0.080% HB ILE 100 - HA LYS+ 81 12.500% * 0.0768% (0.75 1.0 1.00 0.02 0.02) = 0.077% HB3 LYS+ 66 - HA LYS+ 81 12.500% * 0.0733% (0.72 1.0 1.00 0.02 0.02) = 0.073% HG13 ILE 19 - HA LYS+ 81 12.500% * 0.0697% (0.68 1.0 1.00 0.02 0.02) = 0.070% HB3 ARG+ 22 - HA LYS+ 81 12.500% * 0.0239% (0.23 1.0 1.00 0.02 0.02) = 0.024% 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): 3 chemical-shift based assignments, quality = 0.924, support = 1.48, residual support = 2.56: QG2 THR 46 - HA LYS+ 81 33.333% * 98.8465% (0.93 1.50 2.59) = 98.846% kept QB ALA 103 - HA LYS+ 81 33.333% * 0.7465% (0.53 0.02 0.02) = 0.747% HB2 LYS+ 55 - HA LYS+ 81 33.333% * 0.4070% (0.29 0.02 0.02) = 0.407% 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 = 0.794, support = 3.79, residual support = 26.5: HN GLN 102 - QG2 ILE 101 16.667% * 96.3097% (0.82 3.91 27.51) = 96.310% kept HN ASP- 36 - QG2 ILE 68 16.667% * 1.5337% (0.05 1.00 0.69) = 1.534% kept HN ASP- 36 - QG2 ILE 101 16.667% * 1.1142% (0.12 0.32 0.02) = 1.114% kept HN PHE 21 - QG2 ILE 101 16.667% * 0.7875% (0.15 0.17 0.02) = 0.787% HN GLN 102 - QG2 ILE 68 16.667% * 0.2151% (0.36 0.02 0.02) = 0.215% HN PHE 21 - QG2 ILE 68 16.667% * 0.0398% (0.07 0.02 0.47) = 0.040% Peak 747 (8.83, 0.68, 17.95 ppm): 6 chemical-shift based assignments, quality = 0.683, support = 0.49, residual support = 0.243: HN LYS+ 60 - QG2 ILE 68 16.667% * 41.0196% (0.88 0.49 0.25) = 41.020% kept HN LYS+ 32 - QG2 ILE 101 16.667% * 28.5244% (0.52 0.57 0.46) = 28.524% kept HN LYS+ 60 - QG2 ILE 101 16.667% * 26.6901% (0.58 0.48 0.02) = 26.690% kept HN LYS+ 32 - QG2 ILE 68 16.667% * 1.5174% (0.79 0.02 0.02) = 1.517% kept HN ASN 57 - QG2 ILE 68 16.667% * 1.3548% (0.70 0.02 0.16) = 1.355% kept HN ASN 57 - QG2 ILE 101 16.667% * 0.8936% (0.46 0.02 0.02) = 0.894% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 748 (8.75, 0.86, 17.86 ppm): 4 chemical-shift based assignments, quality = 0.335, support = 3.8, residual support = 14.5: HN ILE 101 - QG2 ILE 100 25.000% * 86.5339% (0.34 4.33 16.77) = 86.534% kept HN PHE 34 - QG2 ILE 100 25.000% * 8.6675% (0.29 0.51 0.02) = 8.667% kept HN VAL 62 - QG2 ILE 100 25.000% * 4.4190% (0.37 0.20 0.02) = 4.419% kept HN GLU- 56 - QG2 ILE 100 25.000% * 0.3796% (0.32 0.02 0.02) = 0.380% Peak 749 (8.39, 0.68, 17.95 ppm): 4 chemical-shift based assignments, quality = 0.331, support = 1.68, residual support = 2.28: HN GLY 71 - QG2 ILE 68 25.000% * 53.9194% (0.42 1.75 3.12) = 53.919% kept HN GLY 71 - QG2 ILE 101 25.000% * 34.7273% (0.27 1.73 1.61) = 34.727% kept HN LYS+ 108 - QG2 ILE 101 25.000% * 11.0713% (0.12 1.21 0.37) = 11.071% kept HN LYS+ 108 - QG2 ILE 68 25.000% * 0.2820% (0.19 0.02 0.02) = 0.282% Peak 750 (8.09, 4.37, 59.12 ppm): 4 chemical-shift based assignments, quality = 0.249, support = 3.42, residual support = 12.4: O HN SER 88 - HA SER 88 25.000% * 92.9053% (0.26 10.0 3.49 12.89) = 92.905% kept HN GLY 26 - HA SER 27 25.000% * 6.9461% (0.15 1.0 2.55 6.20) = 6.946% kept HN SER 88 - HA SER 27 25.000% * 0.0959% (0.27 1.0 0.02 0.02) = 0.096% HN GLY 26 - HA SER 88 25.000% * 0.0527% (0.15 1.0 0.02 0.02) = 0.053% Peak 751 (7.97, 0.67, 17.97 ppm): 4 chemical-shift based assignments, quality = 0.467, support = 2.56, residual support = 2.09: HN LYS+ 72 - QG2 ILE 68 25.000% * 59.7584% (0.50 3.51 3.00) = 59.758% kept HN LEU 43 - QG2 ILE 68 25.000% * 19.9481% (0.53 1.10 1.23) = 19.948% kept HN LYS+ 72 - QG2 ILE 101 25.000% * 15.2362% (0.31 1.42 0.35) = 15.236% kept HN LEU 43 - QG2 ILE 101 25.000% * 5.0573% (0.33 0.44 0.02) = 5.057% 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): 10 chemical-shift based assignments, quality = 0.577, support = 4.05, residual support = 70.6: O HA ILE 68 - QG2 ILE 68 10.000% * 75.7645% (0.53 10.0 4.74 91.50) = 75.765% kept HA SER 69 - QG2 ILE 68 10.000% * 15.7716% (0.87 1.0 2.55 7.90) = 15.772% kept HA MET 97 - QG2 ILE 68 10.000% * 4.7802% (0.64 1.0 1.05 0.46) = 4.780% kept HA MET 97 - QG2 ILE 101 10.000% * 1.3003% (0.42 1.0 0.44 0.02) = 1.300% kept HA ALA 33 - QG2 ILE 101 10.000% * 1.0346% (0.20 1.0 0.74 1.34) = 1.035% kept HA ILE 68 - QG2 ILE 101 10.000% * 0.6889% (0.35 1.0 0.28 0.02) = 0.689% HA SER 69 - QG2 ILE 101 10.000% * 0.4750% (0.57 1.0 0.12 0.02) = 0.475% HA PRO 31 - QG2 ILE 68 10.000% * 0.0858% (0.60 1.0 0.02 0.02) = 0.086% HA PRO 31 - QG2 ILE 101 10.000% * 0.0564% (0.40 1.0 0.02 0.24) = 0.056% HA ALA 33 - QG2 ILE 68 10.000% * 0.0426% (0.30 1.0 0.02 0.02) = 0.043% Peak 754 (4.95, 0.71, 17.82 ppm): 8 chemical-shift based assignments, quality = 0.847, support = 5.0, residual support = 101.3: O HA ILE 101 - QG2 ILE 101 12.500% * 87.8987% (0.88 10.0 5.56 114.85) = 87.899% kept HA HIS+ 98 - QG2 ILE 101 12.500% * 5.7688% (0.88 1.0 1.31 0.11) = 5.769% kept HA ALA 33 - QG2 ILE 101 12.500% * 2.3121% (0.63 1.0 0.74 1.34) = 2.312% kept HA HIS+ 98 - QG2 ILE 68 12.500% * 2.2412% (0.43 1.0 1.05 12.21) = 2.241% kept HA MET 97 - QG2 ILE 68 12.500% * 0.7204% (0.14 1.0 1.05 0.46) = 0.720% HA MET 97 - QG2 ILE 101 12.500% * 0.6133% (0.28 1.0 0.44 0.02) = 0.613% HA ILE 101 - QG2 ILE 68 12.500% * 0.4152% (0.43 1.0 0.19 0.02) = 0.415% HA ALA 33 - QG2 ILE 68 12.500% * 0.0304% (0.30 1.0 0.02 0.02) = 0.030% Peak 756 (4.54, 4.39, 59.28 ppm): 10 chemical-shift based assignments, quality = 0.515, support = 0.584, residual support = 0.214: HA LEU 17 - HA SER 88 10.000% * 61.0850% (0.65 0.64 0.30) = 61.085% kept HA LEU 17 - HA SER 27 10.000% * 29.4572% (0.33 0.62 0.10) = 29.457% kept HA LYS+ 78 - HA SER 27 10.000% * 2.6799% (0.07 0.25 0.02) = 2.680% kept HA ALA 103 - HA SER 88 10.000% * 1.6208% (0.56 0.02 0.02) = 1.621% kept HB THR 46 - HA SER 88 10.000% * 1.6170% (0.13 0.08 0.02) = 1.617% kept HA LYS+ 55 - HA SER 88 10.000% * 1.4090% (0.48 0.02 0.02) = 1.409% kept HA ALA 103 - HA SER 27 10.000% * 0.8067% (0.28 0.02 0.02) = 0.807% HA LYS+ 55 - HA SER 27 10.000% * 0.7013% (0.24 0.02 0.02) = 0.701% HA LYS+ 78 - HA SER 88 10.000% * 0.4320% (0.15 0.02 0.02) = 0.432% HB THR 46 - HA SER 27 10.000% * 0.1911% (0.07 0.02 0.02) = 0.191% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 757 (4.47, 0.86, 17.88 ppm): 6 chemical-shift based assignments, quality = 0.379, support = 5.4, residual support = 68.5: O HA ILE 100 - QG2 ILE 100 16.667% * 97.2415% (0.38 10.0 5.54 70.49) = 97.241% kept HA GLN 102 - QG2 ILE 100 16.667% * 2.5612% (0.38 1.0 0.53 0.13) = 2.561% kept HA LYS+ 32 - QG2 ILE 100 16.667% * 0.0890% (0.35 1.0 0.02 0.02) = 0.089% HA GLU- 50 - QG2 ILE 100 16.667% * 0.0522% (0.20 1.0 0.02 0.24) = 0.052% HA SER 77 - QG2 ILE 100 16.667% * 0.0408% (0.16 1.0 0.02 0.02) = 0.041% HB THR 79 - QG2 ILE 100 16.667% * 0.0153% (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): 30 chemical-shift based assignments, quality = 0.627, support = 0.974, residual support = 1.81: T HA LYS+ 108 - QG2 ILE 101 3.333% * 19.3877% (0.83 10.00 0.94 0.37) = 19.388% kept T HB3 SER 49 - QG2 ILE 101 3.333% * 16.3044% (0.33 10.00 2.24 3.93) = 16.304% kept T HA SER 49 - QG2 ILE 101 3.333% * 15.9973% (0.68 10.00 0.95 3.93) = 15.997% kept T HA GLU- 18 - QG2 ILE 101 3.333% * 15.2758% (0.65 10.00 0.95 3.05) = 15.276% kept T HA PRO 59 - QG2 ILE 101 3.333% * 10.9581% (0.82 10.00 0.54 0.02) = 10.958% kept T HA GLU- 10 - QG2 ILE 101 3.333% * 6.9142% (0.83 10.00 0.33 0.02) = 6.914% kept T HA GLU- 107 - QG2 ILE 101 3.333% * 5.5461% (0.58 10.00 0.38 0.02) = 5.546% kept T HA PRO 59 - QG2 ILE 68 3.333% * 4.2316% (0.31 10.00 0.55 0.02) = 4.232% kept T HA ASN 76 - QG2 ILE 101 3.333% * 2.2323% (0.61 10.00 0.15 0.02) = 2.232% kept HA ALA 42 - QG2 ILE 101 3.333% * 0.8842% (0.73 1.00 0.48 0.02) = 0.884% HA GLU- 64 - QG2 ILE 101 3.333% * 0.6846% (0.29 1.00 0.95 0.02) = 0.685% HB3 SER 49 - QG2 ILE 68 3.333% * 0.4813% (0.12 1.00 1.57 2.61) = 0.481% HA GLU- 75 - QG2 ILE 101 3.333% * 0.4268% (0.32 1.00 0.54 1.65) = 0.427% HA ALA 42 - QG2 ILE 68 3.333% * 0.3137% (0.28 1.00 0.46 0.02) = 0.314% T HA SER 49 - QG2 ILE 68 3.333% * 0.1266% (0.25 10.00 0.02 2.61) = 0.127% HA GLU- 54 - QG2 ILE 101 3.333% * 0.0413% (0.83 1.00 0.02 0.02) = 0.041% HA ALA 11 - QG2 ILE 101 3.333% * 0.0337% (0.68 1.00 0.02 0.02) = 0.034% HA GLU- 56 - QG2 ILE 101 3.333% * 0.0272% (0.55 1.00 0.02 0.02) = 0.027% HA LYS+ 108 - QG2 ILE 68 3.333% * 0.0155% (0.31 1.00 0.02 0.02) = 0.015% HA GLU- 54 - QG2 ILE 68 3.333% * 0.0155% (0.31 1.00 0.02 0.02) = 0.015% HA GLU- 10 - QG2 ILE 68 3.333% * 0.0155% (0.31 1.00 0.02 0.02) = 0.015% HA GLU- 12 - QG2 ILE 101 3.333% * 0.0130% (0.26 1.00 0.02 0.02) = 0.013% HA ALA 11 - QG2 ILE 68 3.333% * 0.0127% (0.25 1.00 0.02 0.02) = 0.013% HA GLU- 18 - QG2 ILE 68 3.333% * 0.0121% (0.24 1.00 0.02 0.02) = 0.012% HA ASN 76 - QG2 ILE 68 3.333% * 0.0115% (0.23 1.00 0.02 0.02) = 0.011% HA GLU- 107 - QG2 ILE 68 3.333% * 0.0109% (0.22 1.00 0.02 0.02) = 0.011% HA GLU- 56 - QG2 ILE 68 3.333% * 0.0102% (0.21 1.00 0.02 0.02) = 0.010% HA GLU- 75 - QG2 ILE 68 3.333% * 0.0059% (0.12 1.00 0.02 0.14) = 0.006% HA GLU- 64 - QG2 ILE 68 3.333% * 0.0054% (0.11 1.00 0.02 0.02) = 0.005% HA GLU- 12 - QG2 ILE 68 3.333% * 0.0049% (0.10 1.00 0.02 0.02) = 0.005% Peak 760 (4.15, 0.67, 17.97 ppm): 18 chemical-shift based assignments, quality = 0.509, support = 1.94, residual support = 3.24: T HB3 SER 49 - QG2 ILE 101 5.556% * 64.9887% (0.51 10.00 2.24 3.93) = 64.989% kept HB3 SER 49 - QG2 ILE 68 5.556% * 8.1312% (0.82 1.00 1.57 2.61) = 8.131% kept HA2 GLY 71 - QG2 ILE 68 5.556% * 6.4475% (0.50 1.00 2.05 3.12) = 6.448% kept HA VAL 105 - QG2 ILE 68 5.556% * 5.8065% (0.63 1.00 1.47 2.25) = 5.807% kept HB THR 106 - QG2 ILE 68 5.556% * 3.8096% (0.63 1.00 0.96 0.80) = 3.810% kept HA2 GLY 71 - QG2 ILE 101 5.556% * 3.0957% (0.31 1.00 1.57 1.61) = 3.096% kept T HA VAL 73 - QG2 ILE 101 5.556% * 2.8614% (0.10 10.00 0.44 0.02) = 2.861% kept HA VAL 73 - QG2 ILE 68 5.556% * 2.0840% (0.16 1.00 2.03 2.96) = 2.084% kept HD2 PRO 59 - QG2 ILE 101 5.556% * 0.8238% (0.21 1.00 0.62 0.02) = 0.824% T HA VAL 87 - QG2 ILE 101 5.556% * 0.6496% (0.51 10.00 0.02 0.02) = 0.650% T HA VAL 105 - QG2 ILE 101 5.556% * 0.4975% (0.39 10.00 0.02 0.02) = 0.498% HD2 PRO 59 - QG2 ILE 68 5.556% * 0.4636% (0.34 1.00 0.22 0.02) = 0.464% HA VAL 87 - QG2 ILE 68 5.556% * 0.1033% (0.82 1.00 0.02 0.02) = 0.103% HB2 SER 88 - QG2 ILE 68 5.556% * 0.0865% (0.68 1.00 0.02 0.02) = 0.086% HB2 SER 88 - QG2 ILE 101 5.556% * 0.0544% (0.43 1.00 0.02 0.02) = 0.054% HB THR 106 - QG2 ILE 101 5.556% * 0.0498% (0.39 1.00 0.02 0.02) = 0.050% HA ARG+ 53 - QG2 ILE 68 5.556% * 0.0288% (0.23 1.00 0.02 0.02) = 0.029% HA ARG+ 53 - QG2 ILE 101 5.556% * 0.0181% (0.14 1.00 0.02 0.02) = 0.018% 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 = 0.637, support = 1.66, residual support = 2.38: T HA1 GLY 71 - QG2 ILE 68 8.333% * 59.2250% (0.77 10.00 1.96 3.12) = 59.225% kept T HA1 GLY 71 - QG2 ILE 101 8.333% * 28.6655% (0.48 10.00 1.52 1.61) = 28.666% kept T HA VAL 40 - QG2 ILE 101 8.333% * 10.4489% (0.44 10.00 0.61 0.69) = 10.449% kept T HA ILE 48 - QG2 ILE 101 8.333% * 1.2084% (0.08 10.00 0.39 0.20) = 1.208% kept T HA VAL 62 - QG2 ILE 101 8.333% * 0.1637% (0.21 10.00 0.02 0.02) = 0.164% HD3 PRO 31 - QG2 ILE 68 8.333% * 0.0639% (0.81 1.00 0.02 0.02) = 0.064% HA VAL 80 - QG2 ILE 68 8.333% * 0.0574% (0.73 1.00 0.02 0.02) = 0.057% HA VAL 40 - QG2 ILE 68 8.333% * 0.0556% (0.70 1.00 0.02 0.02) = 0.056% HD3 PRO 31 - QG2 ILE 101 8.333% * 0.0397% (0.50 1.00 0.02 0.24) = 0.040% HA VAL 80 - QG2 ILE 101 8.333% * 0.0357% (0.45 1.00 0.02 0.02) = 0.036% HA VAL 62 - QG2 ILE 68 8.333% * 0.0263% (0.33 1.00 0.02 0.02) = 0.026% HA ILE 48 - QG2 ILE 68 8.333% * 0.0099% (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): 8 chemical-shift based assignments, quality = 0.387, support = 4.6, residual support = 69.8: O T HB ILE 100 - QG2 ILE 100 12.500% * 99.0750% (0.39 10.0 10.00 4.64 70.49) = 99.075% kept HB3 LYS+ 66 - QG2 ILE 100 12.500% * 0.5607% (0.40 1.0 1.00 0.11 3.43) = 0.561% HB3 MET 97 - QG2 ILE 100 12.500% * 0.0909% (0.36 1.0 1.00 0.02 0.02) = 0.091% HB3 ARG+ 22 - QG2 ILE 100 12.500% * 0.0839% (0.33 1.0 1.00 0.02 0.02) = 0.084% HG3 ARG+ 84 - QG2 ILE 100 12.500% * 0.0719% (0.28 1.0 1.00 0.02 0.02) = 0.072% HB3 LYS+ 81 - QG2 ILE 100 12.500% * 0.0678% (0.27 1.0 1.00 0.02 0.02) = 0.068% HD3 LYS+ 55 - QG2 ILE 100 12.500% * 0.0291% (0.11 1.0 1.00 0.02 0.02) = 0.029% HG13 ILE 19 - QG2 ILE 100 12.500% * 0.0207% (0.08 1.0 1.00 0.02 0.02) = 0.021% Peak 782 (1.63, 0.71, 17.86 ppm): 14 chemical-shift based assignments, quality = 0.74, support = 4.15, residual support = 91.9: O HG12 ILE 101 - QG2 ILE 101 7.143% * 58.0293% (0.88 10.0 1.00 5.15 114.85) = 58.029% kept O T HB ILE 68 - QG2 ILE 68 7.143% * 27.6113% (0.42 10.0 10.00 3.88 91.50) = 27.611% kept T HB ILE 68 - QG2 ILE 101 7.143% * 10.4223% (0.86 1.0 10.00 0.37 0.02) = 10.422% kept HG LEU 43 - QG2 ILE 68 7.143% * 2.4596% (0.42 1.0 1.00 1.78 1.23) = 2.460% kept HG LEU 43 - QG2 ILE 101 7.143% * 1.2403% (0.86 1.0 1.00 0.44 0.02) = 1.240% kept HG LEU 23 - QG2 ILE 101 7.143% * 0.0601% (0.92 1.0 1.00 0.02 1.57) = 0.060% HG3 LYS+ 78 - QG2 ILE 101 7.143% * 0.0421% (0.64 1.0 1.00 0.02 0.02) = 0.042% HB3 ARG+ 22 - QG2 ILE 101 7.143% * 0.0299% (0.45 1.0 1.00 0.02 0.02) = 0.030% HG LEU 23 - QG2 ILE 68 7.143% * 0.0293% (0.45 1.0 1.00 0.02 0.02) = 0.029% HG12 ILE 101 - QG2 ILE 68 7.143% * 0.0283% (0.43 1.0 1.00 0.02 0.02) = 0.028% HG3 LYS+ 78 - QG2 ILE 68 7.143% * 0.0205% (0.31 1.0 1.00 0.02 0.02) = 0.021% HB3 ARG+ 22 - QG2 ILE 68 7.143% * 0.0146% (0.22 1.0 1.00 0.02 0.11) = 0.015% HD3 LYS+ 32 - QG2 ILE 101 7.143% * 0.0083% (0.13 1.0 1.00 0.02 0.46) = 0.008% HD3 LYS+ 32 - QG2 ILE 68 7.143% * 0.0040% (0.06 1.0 1.00 0.02 0.02) = 0.004% Peak 786 (1.40, 0.86, 17.83 ppm): 12 chemical-shift based assignments, quality = 0.545, support = 4.16, residual support = 66.5: O HG13 ILE 100 - QG2 ILE 100 8.333% * 94.1762% (0.55 10.0 4.39 70.49) = 94.176% kept QB ALA 93 - QG2 ILE 100 8.333% * 3.4720% (0.55 1.0 0.74 0.02) = 3.472% kept HG LEU 67 - QG2 ILE 100 8.333% * 1.6485% (0.55 1.0 0.35 4.71) = 1.648% kept HG13 ILE 68 - QG2 ILE 100 8.333% * 0.3602% (0.23 1.0 0.19 0.18) = 0.360% QB ALA 37 - QG2 ILE 100 8.333% * 0.0869% (0.51 1.0 0.02 0.02) = 0.087% HD3 LYS+ 20 - QG2 ILE 100 8.333% * 0.0787% (0.46 1.0 0.02 0.02) = 0.079% HD3 LYS+ 44 - QG2 ILE 100 8.333% * 0.0495% (0.29 1.0 0.02 0.02) = 0.050% QB ALA 91 - QG2 ILE 100 8.333% * 0.0387% (0.23 1.0 0.02 0.02) = 0.039% QG2 THR 38 - QG2 ILE 100 8.333% * 0.0321% (0.19 1.0 0.02 0.02) = 0.032% QG2 THR 39 - QG2 ILE 100 8.333% * 0.0235% (0.14 1.0 0.02 0.02) = 0.023% HG3 LYS+ 55 - QG2 ILE 100 8.333% * 0.0210% (0.12 1.0 0.02 0.02) = 0.021% HG2 LYS+ 78 - QG2 ILE 100 8.333% * 0.0127% (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 = 0.502, support = 4.27, residual support = 92.2: O T HG13 ILE 101 - QG2 ILE 101 7.143% * 80.2525% (0.54 10.0 10.00 5.15 114.85) = 80.252% kept T HB3 LEU 74 - QG2 ILE 101 7.143% * 17.6991% (0.32 1.0 10.00 0.74 0.13) = 17.699% kept QB ALA 103 - QG2 ILE 101 7.143% * 1.6303% (0.72 1.0 1.00 0.30 0.02) = 1.630% kept HB2 LYS+ 55 - QG2 ILE 101 7.143% * 0.1166% (0.78 1.0 1.00 0.02 0.02) = 0.117% HG2 LYS+ 81 - QG2 ILE 101 7.143% * 0.0709% (0.48 1.0 1.00 0.02 0.10) = 0.071% QG2 THR 46 - QG2 ILE 101 7.143% * 0.0399% (0.27 1.0 1.00 0.02 0.02) = 0.040% HB2 LYS+ 55 - QG2 ILE 68 7.143% * 0.0383% (0.26 1.0 1.00 0.02 0.55) = 0.038% QB ALA 103 - QG2 ILE 68 7.143% * 0.0354% (0.24 1.0 1.00 0.02 0.02) = 0.035% HG2 LYS+ 32 - QG2 ILE 101 7.143% * 0.0291% (0.20 1.0 1.00 0.02 0.46) = 0.029% HG13 ILE 101 - QG2 ILE 68 7.143% * 0.0264% (0.18 1.0 1.00 0.02 0.02) = 0.026% HG2 LYS+ 81 - QG2 ILE 68 7.143% * 0.0233% (0.16 1.0 1.00 0.02 0.02) = 0.023% HB3 LEU 74 - QG2 ILE 68 7.143% * 0.0158% (0.11 1.0 1.00 0.02 2.28) = 0.016% QG2 THR 46 - QG2 ILE 68 7.143% * 0.0131% (0.09 1.0 1.00 0.02 0.02) = 0.013% HG2 LYS+ 32 - QG2 ILE 68 7.143% * 0.0096% (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): 10 chemical-shift based assignments, quality = 0.599, support = 2.18, residual support = 5.16: O HN ASP- 28 - HA SER 27 10.000% * 81.9201% (0.69 10.0 2.36 5.69) = 81.920% kept O HN ASN 89 - HA SER 88 10.000% * 17.6206% (0.21 10.0 1.38 2.81) = 17.621% kept HN ALA 91 - HA SER 27 10.000% * 0.1128% (0.94 1.0 0.02 0.02) = 0.113% HN ALA 91 - HA SER 88 10.000% * 0.0747% (0.62 1.0 0.02 0.02) = 0.075% HN VAL 99 - HA SER 27 10.000% * 0.0730% (0.61 1.0 0.02 0.02) = 0.073% HN ASP- 28 - HA SER 88 10.000% * 0.0542% (0.45 1.0 0.02 0.02) = 0.054% HN VAL 99 - HA SER 88 10.000% * 0.0483% (0.40 1.0 0.02 0.02) = 0.048% HN ASN 89 - HA SER 27 10.000% * 0.0385% (0.32 1.0 0.02 0.02) = 0.038% HN ASN 76 - HA SER 27 10.000% * 0.0348% (0.29 1.0 0.02 0.02) = 0.035% HN ASN 76 - HA SER 88 10.000% * 0.0230% (0.19 1.0 0.02 0.02) = 0.023% 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): 14 chemical-shift based assignments, quality = 0.642, support = 1.82, residual support = 7.46: O T HB3 SER 27 - HA SER 27 7.143% * 58.7899% (0.77 10.0 10.00 2.00 4.59) = 58.790% kept O T HB3 SER 88 - HA SER 88 7.143% * 36.9572% (0.49 10.0 10.00 1.74 12.89) = 36.957% kept T HB3 SER 77 - HA SER 27 7.143% * 1.6825% (0.56 1.0 10.00 0.08 0.02) = 1.683% kept T HB3 SER 27 - HA SER 88 7.143% * 0.5867% (0.77 1.0 10.00 0.02 0.02) = 0.587% T HB3 SER 77 - HA SER 88 7.143% * 0.4261% (0.56 1.0 10.00 0.02 0.02) = 0.426% T HB2 SER 85 - HA SER 27 7.143% * 0.3985% (0.52 1.0 10.00 0.02 0.02) = 0.398% T HB2 SER 85 - HA SER 88 7.143% * 0.3977% (0.52 1.0 10.00 0.02 0.02) = 0.398% T HB3 SER 88 - HA SER 27 7.143% * 0.3703% (0.49 1.0 10.00 0.02 0.02) = 0.370% HD3 PRO 35 - HA SER 27 7.143% * 0.0698% (0.92 1.0 1.00 0.02 0.02) = 0.070% HD3 PRO 35 - HA SER 88 7.143% * 0.0696% (0.91 1.0 1.00 0.02 0.02) = 0.070% HD2 PRO 86 - HA SER 27 7.143% * 0.0650% (0.85 1.0 1.00 0.02 0.02) = 0.065% HD2 PRO 86 - HA SER 88 7.143% * 0.0648% (0.85 1.0 1.00 0.02 0.10) = 0.065% HA GLU- 45 - HA SER 27 7.143% * 0.0611% (0.80 1.0 1.00 0.02 0.02) = 0.061% HA GLU- 45 - HA SER 88 7.143% * 0.0609% (0.80 1.0 1.00 0.02 0.02) = 0.061% Peak 818 (1.37, 4.38, 59.17 ppm): 18 chemical-shift based assignments, quality = 0.602, support = 0.417, residual support = 0.138: HB3 LEU 17 - HA SER 88 5.556% * 34.2831% (0.70 0.62 0.30) = 34.283% kept HB3 LEU 17 - HA SER 27 5.556% * 28.1469% (0.62 0.57 0.10) = 28.147% kept HG2 LYS+ 78 - HA SER 27 5.556% * 8.8083% (0.70 0.16 0.02) = 8.808% kept HG13 ILE 68 - HA SER 27 5.556% * 5.7724% (0.45 0.16 0.02) = 5.772% kept QG2 THR 39 - HA SER 88 5.556% * 4.6362% (0.67 0.09 0.02) = 4.636% kept HD3 LYS+ 20 - HA SER 27 5.556% * 4.1085% (0.16 0.31 0.02) = 4.108% kept HG13 ILE 68 - HA SER 88 5.556% * 3.2382% (0.51 0.08 0.02) = 3.238% kept QB ALA 11 - HA SER 88 5.556% * 1.3027% (0.82 0.02 0.02) = 1.303% kept HB3 LYS+ 20 - HA SER 88 5.556% * 1.2826% (0.81 0.02 0.02) = 1.283% kept HG2 LYS+ 78 - HA SER 88 5.556% * 1.2572% (0.79 0.02 0.02) = 1.257% kept QB ALA 11 - HA SER 27 5.556% * 1.1529% (0.73 0.02 0.02) = 1.153% kept HB3 LYS+ 20 - HA SER 27 5.556% * 1.1351% (0.71 0.02 0.02) = 1.135% kept HG3 LYS+ 81 - HA SER 88 5.556% * 0.9650% (0.61 0.02 0.02) = 0.965% HG3 ARG+ 22 - HA SER 88 5.556% * 0.9650% (0.61 0.02 0.02) = 0.965% QG2 THR 39 - HA SER 27 5.556% * 0.9418% (0.59 0.02 0.02) = 0.942% HG3 LYS+ 81 - HA SER 27 5.556% * 0.8541% (0.54 0.02 0.02) = 0.854% HG3 ARG+ 22 - HA SER 27 5.556% * 0.8541% (0.54 0.02 0.02) = 0.854% HD3 LYS+ 20 - HA SER 88 5.556% * 0.2959% (0.19 0.02 0.02) = 0.296% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 824 (0.89, 4.38, 59.13 ppm): 14 chemical-shift based assignments, quality = 0.752, support = 1.12, residual support = 8.29: QG2 VAL 87 - HA SER 88 7.143% * 65.3987% (0.78 1.58 12.66) = 65.399% kept QG1 VAL 80 - HA SER 88 7.143% * 19.8858% (0.97 0.39 0.02) = 19.886% kept QG1 VAL 47 - HA SER 27 7.143% * 3.4452% (0.60 0.11 0.02) = 3.445% kept QD1 LEU 90 - HA SER 88 7.143% * 3.2183% (0.24 0.25 0.02) = 3.218% kept QG1 VAL 47 - HA SER 88 7.143% * 2.9609% (0.71 0.08 0.02) = 2.961% kept QG1 VAL 80 - HA SER 27 7.143% * 0.8742% (0.82 0.02 0.02) = 0.874% QG2 VAL 40 - HA SER 88 7.143% * 0.8282% (0.78 0.02 0.02) = 0.828% QG2 VAL 87 - HA SER 27 7.143% * 0.7016% (0.66 0.02 0.02) = 0.702% QG2 VAL 40 - HA SER 27 7.143% * 0.7016% (0.66 0.02 0.02) = 0.702% QD1 LEU 67 - HA SER 88 7.143% * 0.6691% (0.63 0.02 0.02) = 0.669% QD1 LEU 67 - HA SER 27 7.143% * 0.5668% (0.53 0.02 0.02) = 0.567% QG2 ILE 100 - HA SER 88 7.143% * 0.2876% (0.27 0.02 0.02) = 0.288% QG2 ILE 100 - HA SER 27 7.143% * 0.2436% (0.23 0.02 0.02) = 0.244% QD1 LEU 90 - HA SER 27 7.143% * 0.2185% (0.21 0.02 0.02) = 0.218% Peak 827 (9.04, 0.95, 17.31 ppm): 2 chemical-shift based assignments, quality = 0.837, support = 3.27, residual support = 11.1: HN GLY 30 - QG2 ILE 29 50.000% * 88.7286% (0.83 3.63 12.52) = 88.729% kept HN THR 79 - QG2 ILE 29 50.000% * 11.2714% (0.89 0.43 0.02) = 11.271% kept Peak 828 (7.85, 4.09, 58.60 ppm): 3 chemical-shift based assignments, quality = 0.387, support = 3.32, residual support = 16.6: O HN LYS+ 63 - HA LYS+ 63 33.333% * 99.8381% (0.39 10.0 3.33 16.65) = 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): 2 chemical-shift based assignments, quality = 0.857, support = 2.01, residual support = 16.9: QD PHE 21 - QG2 ILE 29 50.000% * 76.2187% (0.82 2.43 21.88) = 76.219% kept HD22 ASN 15 - QG2 ILE 29 50.000% * 23.7813% (0.97 0.64 1.01) = 23.781% kept Peak 849 (4.31, 0.94, 17.30 ppm): 4 chemical-shift based assignments, quality = 0.944, support = 5.03, residual support = 52.6: O T HA ILE 29 - QG2 ILE 29 25.000% * 97.1617% (0.96 10.0 10.00 5.18 54.10) = 97.162% kept T HA ASP- 36 - QG2 ILE 29 25.000% * 2.4341% (0.55 1.0 10.00 0.09 0.02) = 2.434% kept T HA THR 106 - QG2 ILE 29 25.000% * 0.3059% (0.30 1.0 10.00 0.02 0.02) = 0.306% HA ALA 93 - QG2 ILE 29 25.000% * 0.0982% (0.97 1.0 1.00 0.02 0.02) = 0.098% Peak 851 (4.10, 1.48, 17.39 ppm): 7 chemical-shift based assignments, quality = 0.965, support = 2.27, residual support = 13.8: O T HA ALA 70 - QB ALA 70 14.286% * 98.7396% (0.98 10.0 10.00 2.30 13.94) = 98.740% kept T HA LYS+ 63 - QB ALA 70 14.286% * 0.9852% (0.97 1.0 10.00 0.02 0.02) = 0.985% HA THR 46 - QB ALA 70 14.286% * 0.0825% (0.82 1.0 1.00 0.02 0.02) = 0.082% HA THR 24 - QB ALA 70 14.286% * 0.0791% (0.78 1.0 1.00 0.02 0.02) = 0.079% HB3 SER 49 - QB ALA 70 14.286% * 0.0783% (0.77 1.0 1.00 0.02 0.02) = 0.078% HA ARG+ 53 - QB ALA 70 14.286% * 0.0220% (0.22 1.0 1.00 0.02 0.02) = 0.022% HD2 PRO 59 - QB ALA 70 14.286% * 0.0134% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 865 (2.39, 0.94, 17.31 ppm): 6 chemical-shift based assignments, quality = 0.898, support = 3.22, residual support = 17.6: HB3 ASP- 28 - QG2 ILE 29 16.667% * 76.7207% (0.96 1.00 3.94 22.47) = 76.721% kept HA1 GLY 58 - QG2 ILE 29 16.667% * 16.6921% (0.69 1.00 1.20 2.20) = 16.692% kept T HB3 PRO 35 - QG2 ILE 29 16.667% * 3.2840% (0.81 10.00 0.02 0.02) = 3.284% kept T HB3 GLU- 50 - QG2 ILE 29 16.667% * 2.8549% (0.70 10.00 0.02 0.02) = 2.855% kept HB2 LYS+ 78 - QG2 ILE 29 16.667% * 0.3794% (0.93 1.00 0.02 0.02) = 0.379% HG3 GLU- 50 - QG2 ILE 29 16.667% * 0.0689% (0.17 1.00 0.02 0.02) = 0.069% 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): 10 chemical-shift based assignments, quality = 0.969, support = 3.41, residual support = 38.0: O T HB ILE 29 - QG2 ILE 29 10.000% * 59.0684% (0.96 10.0 10.00 4.86 54.10) = 59.068% kept T HB2 LEU 23 - QG2 ILE 29 10.000% * 40.4531% (0.99 1.0 10.00 1.32 14.94) = 40.453% kept T HB2 GLU- 75 - QG2 ILE 29 10.000% * 0.2297% (0.37 1.0 10.00 0.02 1.70) = 0.230% HB3 GLU- 56 - QG2 ILE 29 10.000% * 0.0607% (0.99 1.0 1.00 0.02 0.02) = 0.061% HD3 LYS+ 63 - QG2 ILE 29 10.000% * 0.0531% (0.86 1.0 1.00 0.02 0.02) = 0.053% HB3 GLN 102 - QG2 ILE 29 10.000% * 0.0420% (0.68 1.0 1.00 0.02 0.02) = 0.042% HB2 GLU- 10 - QG2 ILE 29 10.000% * 0.0420% (0.68 1.0 1.00 0.02 0.02) = 0.042% HB3 ARG+ 53 - QG2 ILE 29 10.000% * 0.0252% (0.41 1.0 1.00 0.02 0.02) = 0.025% HB3 LYS+ 55 - QG2 ILE 29 10.000% * 0.0136% (0.22 1.0 1.00 0.02 0.02) = 0.014% HG3 PRO 31 - QG2 ILE 29 10.000% * 0.0121% (0.20 1.0 1.00 0.02 0.02) = 0.012% Peak 901 (1.79, 4.09, 58.63 ppm): 9 chemical-shift based assignments, quality = 0.682, support = 2.29, residual support = 16.6: O T HB3 LYS+ 63 - HA LYS+ 63 11.111% * 52.9285% (0.72 10.0 10.00 2.06 16.65) = 52.929% kept O HG3 LYS+ 63 - HA LYS+ 63 11.111% * 46.8392% (0.64 10.0 1.00 2.57 16.65) = 46.839% kept HB3 LYS+ 108 - HA LYS+ 63 11.111% * 0.0529% (0.72 1.0 1.00 0.02 0.02) = 0.053% HG2 PRO 31 - HA LYS+ 63 11.111% * 0.0484% (0.66 1.0 1.00 0.02 0.02) = 0.048% HG3 ARG+ 53 - HA LYS+ 63 11.111% * 0.0392% (0.54 1.0 1.00 0.02 0.12) = 0.039% HB3 ARG+ 84 - HA LYS+ 63 11.111% * 0.0371% (0.51 1.0 1.00 0.02 0.02) = 0.037% HB3 GLU- 18 - HA LYS+ 63 11.111% * 0.0242% (0.33 1.0 1.00 0.02 0.02) = 0.024% HD3 LYS+ 72 - HA LYS+ 63 11.111% * 0.0184% (0.25 1.0 1.00 0.02 0.02) = 0.018% HG3 LYS+ 108 - HA LYS+ 63 11.111% * 0.0120% (0.16 1.0 1.00 0.02 0.02) = 0.012% Peak 905 (1.74, 0.95, 17.40 ppm): 4 chemical-shift based assignments, quality = 0.629, support = 0.904, residual support = 9.06: T HB2 LEU 17 - QG2 ILE 29 25.000% * 53.3392% (0.49 10.00 0.58 11.28) = 53.339% kept HB ILE 48 - QG2 ILE 29 25.000% * 23.8652% (0.88 1.00 1.45 1.88) = 23.865% kept HB3 LEU 23 - QG2 ILE 29 25.000% * 17.3225% (0.78 1.00 1.19 14.94) = 17.322% kept HB2 GLN 16 - QG2 ILE 29 25.000% * 5.4732% (0.42 1.00 0.70 0.02) = 5.473% kept Peak 910 (1.58, 0.95, 17.36 ppm): 10 chemical-shift based assignments, quality = 0.56, support = 3.2, residual support = 26.7: T HG LEU 17 - QG2 ILE 29 10.000% * 54.0446% (0.75 1.0 10.00 2.60 11.28) = 54.045% kept O HG12 ILE 29 - QG2 ILE 29 10.000% * 24.1224% (0.33 10.0 1.00 4.65 54.10) = 24.122% kept O HG13 ILE 29 - QG2 ILE 29 10.000% * 13.9950% (0.19 10.0 1.00 4.62 54.10) = 13.995% kept T HD3 LYS+ 60 - QG2 ILE 29 10.000% * 7.3898% (0.67 1.0 10.00 0.30 0.02) = 7.390% kept T QB ALA 42 - QG2 ILE 29 10.000% * 0.2412% (0.33 1.0 10.00 0.02 0.02) = 0.241% HB3 LYS+ 32 - QG2 ILE 29 10.000% * 0.0613% (0.85 1.0 1.00 0.02 0.02) = 0.061% HB ILE 19 - QG2 ILE 29 10.000% * 0.0566% (0.78 1.0 1.00 0.02 0.02) = 0.057% HD3 LYS+ 81 - QG2 ILE 29 10.000% * 0.0429% (0.59 1.0 1.00 0.02 0.02) = 0.043% HD3 LYS+ 32 - QG2 ILE 29 10.000% * 0.0265% (0.37 1.0 1.00 0.02 0.02) = 0.027% HB3 LEU 90 - QG2 ILE 29 10.000% * 0.0197% (0.27 1.0 1.00 0.02 0.02) = 0.020% Peak 911 (1.50, 4.07, 58.65 ppm): 5 chemical-shift based assignments, quality = 0.124, support = 0.02, residual support = 0.0393: T QB ALA 70 - HA LYS+ 63 20.000% * 57.8186% (0.09 10.00 0.02 0.02) = 57.819% kept HD3 LYS+ 108 - HA LYS+ 63 20.000% * 12.8678% (0.20 1.00 0.02 0.02) = 12.868% kept HB2 LYS+ 72 - HA LYS+ 63 20.000% * 12.4459% (0.19 1.00 0.02 0.02) = 12.446% kept HG3 LYS+ 72 - HA LYS+ 63 20.000% * 11.5659% (0.18 1.00 0.02 0.02) = 11.566% kept HB3 LYS+ 44 - HA LYS+ 63 20.000% * 5.3019% (0.08 1.00 0.02 0.38) = 5.302% kept Not enough support, support cutoff is 0.30 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 = 0.511, support = 3.85, residual support = 26.9: O HN GLU- 54 - HA ARG+ 53 25.000% * 95.6160% (0.51 10.0 4.00 28.15) = 95.616% kept HN LYS+ 66 - HA ARG+ 53 25.000% * 3.1648% (0.59 1.0 0.58 0.02) = 3.165% kept HN GLU- 54 - HA LYS+ 63 25.000% * 1.1607% (0.27 1.0 0.46 0.38) = 1.161% kept HN LYS+ 66 - HA LYS+ 63 25.000% * 0.0586% (0.31 1.0 0.02 0.02) = 0.059% Peak 927 (8.97, 0.02, 16.80 ppm): 6 chemical-shift based assignments, quality = 0.782, support = 4.33, residual support = 46.7: HN ILE 19 - QG2 ILE 19 16.667% * 49.9069% (0.96 5.68 90.57) = 49.907% kept HN MET 97 - QG2 ILE 19 16.667% * 26.1562% (0.80 3.55 3.69) = 26.156% kept HN LEU 17 - QG2 ILE 19 16.667% * 10.9211% (0.62 1.92 1.73) = 10.921% kept HN THR 96 - QG2 ILE 19 16.667% * 5.8980% (0.19 3.38 2.53) = 5.898% kept HN ARG+ 22 - QG2 ILE 19 16.667% * 3.6446% (0.24 1.66 0.53) = 3.645% kept HN PHE 21 - QG2 ILE 19 16.667% * 3.4732% (0.13 2.91 5.62) = 3.473% kept Peak 928 (8.61, 0.02, 16.86 ppm): 4 chemical-shift based assignments, quality = 0.687, support = 5.0, residual support = 27.6: HN LYS+ 20 - QG2 ILE 19 25.000% * 91.1627% (0.73 5.43 30.28) = 91.163% kept HN SER 85 - QG2 ILE 19 25.000% * 3.8409% (0.45 0.37 0.02) = 3.841% kept HN VAL 80 - QG2 ILE 19 25.000% * 3.3469% (0.15 0.94 0.02) = 3.347% kept HN THR 39 - QG2 ILE 19 25.000% * 1.6496% (0.17 0.41 0.70) = 1.650% kept Peak 929 (8.44, 4.13, 58.51 ppm): 12 chemical-shift based assignments, quality = 0.642, support = 3.73, residual support = 29.1: O HN ARG+ 53 - HA ARG+ 53 8.333% * 91.9691% (0.66 10.0 3.98 31.56) = 91.969% kept HN GLU- 75 - HA ARG+ 53 8.333% * 5.3513% (0.62 1.0 1.22 0.42) = 5.351% kept HN ARG+ 53 - HA LYS+ 63 8.333% * 1.4925% (0.30 1.0 0.71 0.12) = 1.492% kept HN HIS+ 14 - HA ARG+ 53 8.333% * 0.8634% (0.42 1.0 0.29 0.02) = 0.863% HN LEU 74 - HA ARG+ 53 8.333% * 0.1079% (0.77 1.0 0.02 0.02) = 0.108% HN LEU 74 - HA LYS+ 63 8.333% * 0.0491% (0.35 1.0 0.02 0.02) = 0.049% HN GLU- 107 - HA ARG+ 53 8.333% * 0.0452% (0.32 1.0 0.02 0.02) = 0.045% HN GLU- 75 - HA LYS+ 63 8.333% * 0.0398% (0.28 1.0 0.02 0.02) = 0.040% HN HIS+ 14 - HA LYS+ 63 8.333% * 0.0266% (0.19 1.0 0.02 0.25) = 0.027% HN GLY 92 - HA ARG+ 53 8.333% * 0.0238% (0.17 1.0 0.02 0.02) = 0.024% HN GLU- 107 - HA LYS+ 63 8.333% * 0.0205% (0.15 1.0 0.02 0.02) = 0.021% HN GLY 92 - HA LYS+ 63 8.333% * 0.0108% (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 = 0.821, support = 3.9, residual support = 33.7: QE PHE 34 - QG2 ILE 19 14.286% * 40.9230% (0.93 4.17 34.23) = 40.923% kept HZ PHE 34 - QG2 ILE 19 14.286% * 31.6698% (0.93 3.23 34.23) = 31.670% kept QD PHE 34 - QG2 ILE 19 14.286% * 25.8967% (0.55 4.50 34.23) = 25.897% kept HN ARG+ 84 - QG2 ILE 19 14.286% * 1.1798% (0.43 0.26 0.02) = 1.180% kept HZ2 TRP 51 - QG2 ILE 19 14.286% * 0.1962% (0.93 0.02 0.02) = 0.196% HN VAL 47 - QG2 ILE 19 14.286% * 0.0989% (0.47 0.02 0.11) = 0.099% HE22 GLN 102 - QG2 ILE 19 14.286% * 0.0356% (0.17 0.02 0.02) = 0.036% Peak 931 (4.87, 0.02, 16.86 ppm): 2 chemical-shift based assignments, quality = 0.638, support = 4.72, residual support = 80.9: O HA ILE 19 - QG2 ILE 19 50.000% * 89.0660% (0.65 10.0 4.95 90.57) = 89.066% kept HA THR 96 - QG2 ILE 19 50.000% * 10.9340% (0.57 1.0 2.81 2.53) = 10.934% kept Peak 932 (4.29, 4.13, 58.46 ppm): 26 chemical-shift based assignments, quality = 0.438, support = 1.53, residual support = 6.43: HA PRO 52 - HA ARG+ 53 3.846% * 56.5336% (0.52 1.92 7.20) = 56.534% kept HA GLU- 64 - HA LYS+ 63 3.846% * 15.6611% (0.11 2.45 15.02) = 15.661% kept HA LEU 90 - HA ARG+ 53 3.846% * 12.4774% (0.69 0.32 0.02) = 12.477% kept HA VAL 94 - HA ARG+ 53 3.846% * 7.8587% (0.54 0.25 0.02) = 7.859% kept HA THR 106 - HA ARG+ 53 3.846% * 0.7809% (0.69 0.02 0.02) = 0.781% HA ASP- 36 - HA ARG+ 53 3.846% * 0.6184% (0.54 0.02 0.02) = 0.618% HA ARG+ 84 - HA ARG+ 53 3.846% * 0.5876% (0.52 0.02 0.02) = 0.588% HA SER 85 - HA ARG+ 53 3.846% * 0.5876% (0.52 0.02 0.02) = 0.588% HD3 PRO 59 - HA ARG+ 53 3.846% * 0.5876% (0.52 0.02 0.02) = 0.588% HA VAL 65 - HA ARG+ 53 3.846% * 0.5234% (0.46 0.02 0.02) = 0.523% HA THR 106 - HA LYS+ 63 3.846% * 0.3621% (0.32 0.02 0.02) = 0.362% HA LEU 90 - HA LYS+ 63 3.846% * 0.3621% (0.32 0.02 0.02) = 0.362% HA ASP- 36 - HA LYS+ 63 3.846% * 0.2867% (0.25 0.02 0.02) = 0.287% HA VAL 94 - HA LYS+ 63 3.846% * 0.2867% (0.25 0.02 0.25) = 0.287% HA GLU- 64 - HA ARG+ 53 3.846% * 0.2760% (0.24 0.02 0.02) = 0.276% HA SER 85 - HA LYS+ 63 3.846% * 0.2725% (0.24 0.02 0.02) = 0.272% HA PRO 52 - HA LYS+ 63 3.846% * 0.2725% (0.24 0.02 0.02) = 0.272% HD3 PRO 59 - HA LYS+ 63 3.846% * 0.2725% (0.24 0.02 0.02) = 0.272% HA ARG+ 84 - HA LYS+ 63 3.846% * 0.2725% (0.24 0.02 0.02) = 0.272% HA GLU- 75 - HA ARG+ 53 3.846% * 0.2497% (0.22 0.02 0.42) = 0.250% HA VAL 65 - HA LYS+ 63 3.846% * 0.2427% (0.21 0.02 0.02) = 0.243% HA ILE 29 - HA ARG+ 53 3.846% * 0.2250% (0.20 0.02 0.02) = 0.225% HA ALA 93 - HA ARG+ 53 3.846% * 0.1248% (0.11 0.02 0.02) = 0.125% HA GLU- 75 - HA LYS+ 63 3.846% * 0.1158% (0.10 0.02 0.02) = 0.116% HA ILE 29 - HA LYS+ 63 3.846% * 0.1043% (0.09 0.02 0.02) = 0.104% HA ALA 93 - HA LYS+ 63 3.846% * 0.0579% (0.05 0.02 0.02) = 0.058% 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 = 0.802, support = 1.09, residual support = 0.826: HB3 PRO 35 - QG2 ILE 19 7.143% * 50.0342% (0.92 1.63 1.49) = 50.034% kept HA1 GLY 58 - QG2 ILE 19 7.143% * 16.2486% (0.44 1.11 0.36) = 16.249% kept HB3 ASN 15 - QG2 ILE 19 7.143% * 12.8112% (0.90 0.43 0.14) = 12.811% kept HG3 GLU- 107 - QG2 ILE 19 7.143% * 7.7699% (0.94 0.25 0.02) = 7.770% kept HG3 GLU- 54 - QG2 ILE 19 7.143% * 7.4985% (0.90 0.25 0.02) = 7.498% kept HB VAL 80 - QG2 ILE 19 7.143% * 2.8774% (0.57 0.15 0.02) = 2.877% kept HG2 GLU- 56 - QG2 ILE 19 7.143% * 0.5352% (0.80 0.02 0.02) = 0.535% HG3 GLU- 10 - QG2 ILE 19 7.143% * 0.5108% (0.76 0.02 0.02) = 0.511% HG3 GLU- 56 - QG2 ILE 19 7.143% * 0.4591% (0.69 0.02 0.02) = 0.459% HG2 GLU- 64 - QG2 ILE 19 7.143% * 0.4148% (0.62 0.02 0.02) = 0.415% HG3 GLU- 75 - QG2 ILE 19 7.143% * 0.3253% (0.49 0.02 0.02) = 0.325% HG3 GLU- 64 - QG2 ILE 19 7.143% * 0.2122% (0.32 0.02 0.02) = 0.212% HB3 PRO 52 - QG2 ILE 19 7.143% * 0.1858% (0.28 0.02 0.02) = 0.186% HG3 GLN 102 - QG2 ILE 19 7.143% * 0.1170% (0.17 0.02 0.02) = 0.117% Peak 938 (1.90, 4.13, 58.43 ppm): 16 chemical-shift based assignments, quality = 0.584, support = 3.06, residual support = 30.6: O HB3 ARG+ 53 - HA ARG+ 53 6.250% * 95.4864% (0.61 10.0 3.15 31.56) = 95.486% kept HD3 LYS+ 63 - HA LYS+ 63 6.250% * 2.9708% (0.20 1.0 1.90 16.65) = 2.971% kept HD3 LYS+ 63 - HA ARG+ 53 6.250% * 0.9479% (0.34 1.0 0.36 0.12) = 0.948% HB3 GLN 16 - HA ARG+ 53 6.250% * 0.0955% (0.61 1.0 0.02 0.02) = 0.095% HG2 GLU- 18 - HA ARG+ 53 6.250% * 0.0955% (0.61 1.0 0.02 0.02) = 0.095% HB3 GLN 102 - HA ARG+ 53 6.250% * 0.0733% (0.46 1.0 0.02 0.02) = 0.073% HB3 ARG+ 53 - HA LYS+ 63 6.250% * 0.0562% (0.36 1.0 0.02 0.12) = 0.056% HB3 GLN 16 - HA LYS+ 63 6.250% * 0.0562% (0.36 1.0 0.02 0.02) = 0.056% HG2 GLU- 18 - HA LYS+ 63 6.250% * 0.0562% (0.36 1.0 0.02 0.02) = 0.056% HB3 GLN 102 - HA LYS+ 63 6.250% * 0.0432% (0.27 1.0 0.02 0.02) = 0.043% HB3 GLU- 56 - HA ARG+ 53 6.250% * 0.0312% (0.20 1.0 0.02 0.02) = 0.031% HB2 LEU 23 - HA ARG+ 53 6.250% * 0.0281% (0.18 1.0 0.02 0.19) = 0.028% HB3 GLU- 56 - HA LYS+ 63 6.250% * 0.0183% (0.12 1.0 0.02 0.02) = 0.018% HB2 LEU 23 - HA LYS+ 63 6.250% * 0.0165% (0.10 1.0 0.02 0.48) = 0.017% HB ILE 29 - HA ARG+ 53 6.250% * 0.0156% (0.10 1.0 0.02 0.02) = 0.016% HB ILE 29 - HA LYS+ 63 6.250% * 0.0092% (0.06 1.0 0.02 0.02) = 0.009% Peak 940 (1.65, 0.02, 16.87 ppm): 11 chemical-shift based assignments, quality = 0.76, support = 1.13, residual support = 1.42: HB3 ARG+ 22 - QG2 ILE 19 9.091% * 63.1438% (0.99 1.20 0.53) = 63.144% kept HB3 MET 97 - QG2 ILE 19 9.091% * 28.1440% (0.41 1.29 3.69) = 28.144% kept HG LEU 23 - QG2 ILE 19 9.091% * 3.7774% (0.45 0.16 1.16) = 3.777% kept HG3 LYS+ 78 - QG2 ILE 19 9.091% * 1.2499% (0.15 0.15 0.02) = 1.250% kept HB3 LYS+ 81 - QG2 ILE 19 9.091% * 1.1291% (0.22 0.10 0.02) = 1.129% kept HB3 LYS+ 66 - QG2 ILE 19 9.091% * 0.6031% (0.56 0.02 0.02) = 0.603% HB ILE 100 - QG2 ILE 19 9.091% * 0.5605% (0.52 0.02 0.02) = 0.560% HG12 ILE 101 - QG2 ILE 19 9.091% * 0.3998% (0.37 0.02 0.02) = 0.400% HB ILE 68 - QG2 ILE 19 9.091% * 0.3634% (0.34 0.02 0.02) = 0.363% HG LEU 43 - QG2 ILE 19 9.091% * 0.3634% (0.34 0.02 0.10) = 0.363% HG3 ARG+ 84 - QG2 ILE 19 9.091% * 0.2656% (0.25 0.02 0.02) = 0.266% Peak 941 (1.16, 3.74, 58.38 ppm): 5 chemical-shift based assignments, quality = 0.943, support = 3.67, residual support = 146.9: O T HB2 LEU 43 - HA LEU 43 20.000% * 99.1290% (0.95 10.0 10.00 3.70 148.16) = 99.129% kept T HB2 LEU 74 - HA LEU 43 20.000% * 0.6230% (0.60 1.0 10.00 0.02 0.02) = 0.623% HG3 PRO 59 - HA LEU 43 20.000% * 0.1018% (0.98 1.0 1.00 0.02 0.02) = 0.102% QG2 THR 106 - HA LEU 43 20.000% * 0.0921% (0.88 1.0 1.00 0.02 0.02) = 0.092% QB ALA 33 - HA LEU 43 20.000% * 0.0540% (0.52 1.0 1.00 0.02 0.02) = 0.054% Peak 942 (1.09, 0.02, 16.90 ppm): 3 chemical-shift based assignments, quality = 0.752, support = 2.14, residual support = 6.27: QG2 THR 95 - QG2 ILE 19 33.333% * 60.0586% (0.81 2.44 9.77) = 60.059% kept QG2 THR 79 - QG2 ILE 19 33.333% * 37.7104% (0.70 1.76 1.04) = 37.710% kept QG2 THR 61 - QG2 ILE 19 33.333% * 2.2310% (0.15 0.49 0.35) = 2.231% kept Peak 945 (0.69, 0.02, 16.84 ppm): 9 chemical-shift based assignments, quality = 0.953, support = 5.85, residual support = 81.8: T QD1 ILE 19 - QG2 ILE 19 11.111% * 45.8716% (1.00 1.0 10.00 6.55 90.57) = 45.872% kept O T HG12 ILE 19 - QG2 ILE 19 11.111% * 44.3678% (0.96 10.0 10.00 5.97 90.57) = 44.368% kept QG2 VAL 94 - QG2 ILE 19 11.111% * 5.0935% (0.98 1.0 1.00 2.26 0.17) = 5.094% kept QG2 THR 96 - QG2 ILE 19 11.111% * 3.2076% (0.57 1.0 1.00 2.46 2.53) = 3.208% kept QG2 ILE 48 - QG2 ILE 19 11.111% * 0.7430% (0.99 1.0 1.00 0.33 0.02) = 0.743% QG2 ILE 101 - QG2 ILE 19 11.111% * 0.6401% (0.89 1.0 1.00 0.31 0.02) = 0.640% QG2 ILE 68 - QG2 ILE 19 11.111% * 0.0451% (0.98 1.0 1.00 0.02 0.02) = 0.045% QG1 VAL 62 - QG2 ILE 19 11.111% * 0.0242% (0.53 1.0 1.00 0.02 0.02) = 0.024% HG LEU 74 - QG2 ILE 19 11.111% * 0.0071% (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 = 4.46, residual support = 148.2: T QD1 LEU 43 - HA LEU 43 100.000% *100.0000% (0.95 10.00 4.46 148.16) = 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 = 0.536, support = 3.91, residual support = 18.9: HN SER 49 - QG2 ILE 48 11.111% * 59.0748% (0.46 5.93 31.38) = 59.075% kept HN LEU 67 - QG2 ILE 48 11.111% * 16.9897% (0.68 1.16 0.79) = 16.990% kept HN GLY 58 - QG2 ILE 48 11.111% * 15.6966% (0.59 1.23 1.49) = 15.697% kept HN LYS+ 81 - QG2 ILE 48 11.111% * 3.7923% (0.68 0.26 0.02) = 3.792% kept HN THR 106 - QG2 ILE 48 11.111% * 3.6577% (0.75 0.23 0.02) = 3.658% kept HN GLU- 12 - QG2 ILE 48 11.111% * 0.3248% (0.75 0.02 0.02) = 0.325% HN VAL 94 - QG2 ILE 48 11.111% * 0.2106% (0.11 0.09 0.02) = 0.211% HN GLN 16 - QG2 ILE 48 11.111% * 0.1992% (0.46 0.02 0.02) = 0.199% HN ASN 89 - QG2 ILE 48 11.111% * 0.0543% (0.13 0.02 0.02) = 0.054% Peak 951 (7.31, 0.71, 16.70 ppm): 7 chemical-shift based assignments, quality = 0.584, support = 4.63, residual support = 59.5: HN ILE 48 - QG2 ILE 48 14.286% * 39.3740% (0.56 6.76 131.63) = 39.374% kept HN VAL 47 - QG2 ILE 48 14.286% * 31.8086% (0.66 4.69 22.57) = 31.809% kept QD PHE 34 - QG2 ILE 48 14.286% * 12.9653% (0.60 2.11 1.94) = 12.965% kept HN ARG+ 84 - QG2 ILE 48 14.286% * 8.8706% (0.68 1.25 1.16) = 8.871% kept HZ PHE 34 - QG2 ILE 48 14.286% * 3.4796% (0.23 1.48 1.94) = 3.480% kept QE PHE 34 - QG2 ILE 48 14.286% * 3.2370% (0.23 1.37 1.94) = 3.237% kept HZ2 TRP 51 - QG2 ILE 48 14.286% * 0.2648% (0.23 0.11 0.02) = 0.265% Peak 952 (4.37, 0.72, 16.75 ppm): 9 chemical-shift based assignments, quality = 0.705, support = 0.398, residual support = 1.15: HA LYS+ 60 - QG2 ILE 48 11.111% * 30.7500% (0.74 0.52 0.89) = 30.750% kept HB THR 61 - QG2 ILE 48 11.111% * 25.5748% (0.80 0.40 3.17) = 25.575% kept HA SER 27 - QG2 ILE 48 11.111% * 21.7221% (0.64 0.43 0.27) = 21.722% kept HA2 GLY 26 - QG2 ILE 48 11.111% * 13.0999% (0.78 0.21 0.02) = 13.100% kept HA ASN 57 - QG2 ILE 48 11.111% * 3.4500% (0.12 0.35 0.02) = 3.450% kept HA SER 88 - QG2 ILE 48 11.111% * 2.4085% (0.36 0.08 0.02) = 2.408% kept HA TRP 51 - QG2 ILE 48 11.111% * 1.2068% (0.76 0.02 0.02) = 1.207% kept HA ALA 37 - QG2 ILE 48 11.111% * 1.0656% (0.67 0.02 0.02) = 1.066% kept HA ALA 91 - QG2 ILE 48 11.111% * 0.7223% (0.46 0.02 0.02) = 0.722% Peak 953 (3.44, 0.72, 16.73 ppm): 5 chemical-shift based assignments, quality = 0.732, support = 4.21, residual support = 72.8: O T HA ILE 48 - QG2 ILE 48 20.000% * 54.3083% (0.80 10.0 10.00 6.76 131.63) = 54.308% kept T HA VAL 62 - QG2 ILE 48 20.000% * 32.1185% (0.75 1.0 10.00 1.26 4.15) = 32.118% kept T HA VAL 40 - QG2 ILE 48 20.000% * 13.5374% (0.40 1.0 10.00 1.00 0.19) = 13.537% kept HA VAL 80 - QG2 ILE 48 20.000% * 0.0248% (0.37 1.0 1.00 0.02 0.02) = 0.025% HD3 PRO 31 - QG2 ILE 48 20.000% * 0.0110% (0.16 1.0 1.00 0.02 0.02) = 0.011% Peak 954 (1.74, 0.72, 16.71 ppm): 4 chemical-shift based assignments, quality = 0.794, support = 6.65, residual support = 125.7: O T HB ILE 48 - QG2 ILE 48 25.000% * 95.5102% (0.80 10.0 10.00 6.96 131.63) = 95.510% kept T HB3 LEU 23 - QG2 ILE 48 25.000% * 4.3946% (0.74 1.0 10.00 0.10 0.02) = 4.395% kept HB2 LEU 17 - QG2 ILE 48 25.000% * 0.0623% (0.52 1.0 1.00 0.02 0.02) = 0.062% HB2 GLN 16 - QG2 ILE 48 25.000% * 0.0329% (0.27 1.0 1.00 0.02 0.02) = 0.033% Peak 955 (1.47, 0.72, 16.70 ppm): 6 chemical-shift based assignments, quality = 0.524, support = 5.47, residual support = 114.0: O HG13 ILE 48 - QG2 ILE 48 16.667% * 86.5397% (0.52 10.0 6.21 131.63) = 86.540% kept QB ALA 70 - QG2 ILE 48 16.667% * 4.0779% (0.61 1.0 0.81 0.02) = 4.078% kept HB3 LEU 67 - QG2 ILE 48 16.667% * 3.8530% (0.72 1.0 0.65 0.79) = 3.853% kept HG3 LYS+ 60 - QG2 ILE 48 16.667% * 3.3068% (0.37 1.0 1.08 0.89) = 3.307% kept HG2 PRO 59 - QG2 ILE 48 16.667% * 1.2339% (0.37 1.0 0.40 0.02) = 1.234% kept HB3 LYS+ 44 - QG2 ILE 48 16.667% * 0.9887% (0.64 1.0 0.19 0.02) = 0.989% 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 = 6.03, residual support = 131.6: T QD1 ILE 48 - QG2 ILE 48 50.000% * 50.0000% (0.71 1.0 10.00 6.38 131.63) = 50.000% kept O T HG12 ILE 48 - QG2 ILE 48 50.000% * 50.0000% (0.71 10.0 10.00 5.67 131.63) = 50.000% kept Peak 966 (9.09, 4.24, 57.49 ppm): 4 chemical-shift based assignments, quality = 0.309, support = 3.81, residual support = 17.1: O HN GLU- 54 - HA GLU- 54 25.000% * 98.8871% (0.31 10.0 3.85 17.29) = 98.887% kept HN LYS+ 66 - HA GLU- 54 25.000% * 1.0773% (0.37 1.0 0.18 0.02) = 1.077% kept HN LYS+ 66 - HA ASP- 82 25.000% * 0.0194% (0.06 1.0 0.02 0.44) = 0.019% HN GLU- 54 - HA ASP- 82 25.000% * 0.0162% (0.05 1.0 0.02 0.23) = 0.016% Peak 967 (7.82, 4.24, 57.54 ppm): 6 chemical-shift based assignments, quality = 0.476, support = 2.49, residual support = 9.55: O HN LYS+ 55 - HA GLU- 54 16.667% * 97.2285% (0.47 10.0 2.54 9.81) = 97.228% kept HN LYS+ 63 - HA GLU- 54 16.667% * 2.7048% (0.60 1.0 0.44 0.38) = 2.705% kept HN ALA 93 - HA GLU- 54 16.667% * 0.0503% (0.24 1.0 0.02 0.02) = 0.050% HN LYS+ 63 - HA ASP- 82 16.667% * 0.0075% (0.04 1.0 0.02 0.02) = 0.007% HN LYS+ 55 - HA ASP- 82 16.667% * 0.0059% (0.03 1.0 0.02 0.02) = 0.006% HN ALA 93 - HA ASP- 82 16.667% * 0.0030% (0.01 1.0 0.02 0.16) = 0.003% Peak 972 (2.51, 4.29, 57.24 ppm): 30 chemical-shift based assignments, quality = 0.535, support = 1.82, residual support = 14.2: O HB2 ASP- 36 - HA ASP- 36 3.333% * 88.1047% (0.56 10.0 1.93 16.03) = 88.105% kept HA1 GLY 58 - HA ASP- 36 3.333% * 5.2563% (0.64 1.0 1.00 0.28) = 5.256% kept HB3 PRO 35 - HA ASP- 36 3.333% * 2.8355% (0.21 1.0 1.63 1.41) = 2.836% kept HA1 GLY 58 - HA GLU- 56 3.333% * 1.0732% (0.13 1.0 1.00 0.02) = 1.073% kept HA1 GLY 58 - HA GLU- 75 3.333% * 1.0034% (0.16 1.0 0.79 0.59) = 1.003% kept HB3 PRO 35 - HA GLU- 75 3.333% * 0.7045% (0.05 1.0 1.67 2.60) = 0.705% HB3 PRO 35 - HA GLU- 56 3.333% * 0.3111% (0.04 1.0 0.87 0.16) = 0.311% HB3 PRO 35 - HA GLU- 64 3.333% * 0.2107% (0.05 1.0 0.57 0.02) = 0.211% HB3 PRO 59 - HA ASP- 36 3.333% * 0.1051% (0.64 1.0 0.02 0.02) = 0.105% HB3 PRO 59 - HA SER 85 3.333% * 0.0448% (0.27 1.0 0.02 0.02) = 0.045% HA1 GLY 58 - HA SER 85 3.333% * 0.0447% (0.27 1.0 0.02 0.02) = 0.045% HB2 ASP- 36 - HA SER 85 3.333% * 0.0389% (0.24 1.0 0.02 0.02) = 0.039% HG3 PRO 35 - HA ASP- 36 3.333% * 0.0284% (0.17 1.0 0.02 1.41) = 0.028% HB3 PRO 59 - HA GLU- 75 3.333% * 0.0255% (0.16 1.0 0.02 0.02) = 0.025% HB3 PRO 59 - HA GLU- 64 3.333% * 0.0223% (0.14 1.0 0.02 0.02) = 0.022% HA1 GLY 58 - HA GLU- 64 3.333% * 0.0222% (0.14 1.0 0.02 0.02) = 0.022% HB2 ASP- 36 - HA GLU- 75 3.333% * 0.0221% (0.14 1.0 0.02 0.13) = 0.022% HB3 PRO 59 - HA GLU- 56 3.333% * 0.0215% (0.13 1.0 0.02 0.02) = 0.022% HB VAL 40 - HA ASP- 36 3.333% * 0.0199% (0.12 1.0 0.02 0.02) = 0.020% HB2 ASP- 36 - HA GLU- 64 3.333% * 0.0193% (0.12 1.0 0.02 0.02) = 0.019% HB2 ASP- 36 - HA GLU- 56 3.333% * 0.0187% (0.11 1.0 0.02 0.02) = 0.019% HB3 PRO 35 - HA SER 85 3.333% * 0.0148% (0.09 1.0 0.02 0.02) = 0.015% HG3 PRO 35 - HA SER 85 3.333% * 0.0121% (0.07 1.0 0.02 0.02) = 0.012% HB VAL 40 - HA SER 85 3.333% * 0.0085% (0.05 1.0 0.02 0.02) = 0.009% HG3 PRO 35 - HA GLU- 75 3.333% * 0.0069% (0.04 1.0 0.02 2.60) = 0.007% HG3 PRO 35 - HA GLU- 64 3.333% * 0.0060% (0.04 1.0 0.02 0.02) = 0.006% HG3 PRO 35 - HA GLU- 56 3.333% * 0.0058% (0.04 1.0 0.02 0.16) = 0.006% HB VAL 40 - HA GLU- 75 3.333% * 0.0048% (0.03 1.0 0.02 0.02) = 0.005% HB VAL 40 - HA GLU- 64 3.333% * 0.0042% (0.03 1.0 0.02 0.02) = 0.004% HB VAL 40 - HA GLU- 56 3.333% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% Peak 975 (8.82, 4.27, 57.06 ppm): 27 chemical-shift based assignments, quality = 0.753, support = 1.4, residual support = 2.13: O HN ASN 57 - HA GLU- 56 3.704% * 84.7350% (0.75 10.0 1.52 2.41) = 84.735% kept HN ASN 57 - HA GLU- 75 3.704% * 6.5354% (0.82 1.0 1.06 0.60) = 6.535% kept HN LYS+ 60 - HA GLU- 75 3.704% * 5.1574% (0.91 1.0 0.76 0.97) = 5.157% kept HN LYS+ 32 - HA GLU- 75 3.704% * 2.1155% (0.89 1.0 0.32 0.02) = 2.116% kept HN LYS+ 60 - HA SER 85 3.704% * 0.1310% (0.88 1.0 0.02 0.02) = 0.131% HN LYS+ 60 - HA GLU- 64 3.704% * 0.1289% (0.86 1.0 0.02 0.02) = 0.129% HN LYS+ 32 - HA SER 85 3.704% * 0.1276% (0.86 1.0 0.02 0.02) = 0.128% HN LYS+ 32 - HA GLU- 64 3.704% * 0.1255% (0.84 1.0 0.02 0.02) = 0.125% HN LYS+ 60 - HA GLU- 56 3.704% * 0.1232% (0.83 1.0 0.02 0.02) = 0.123% HN LYS+ 32 - HA GLU- 56 3.704% * 0.1199% (0.80 1.0 0.02 0.02) = 0.120% HN ASN 57 - HA SER 85 3.704% * 0.1186% (0.79 1.0 0.02 0.02) = 0.119% HN ASN 57 - HA GLU- 64 3.704% * 0.1166% (0.78 1.0 0.02 0.02) = 0.117% HN LYS+ 60 - HA GLU- 107 3.704% * 0.0524% (0.35 1.0 0.02 0.02) = 0.052% HN LYS+ 32 - HA GLU- 107 3.704% * 0.0511% (0.34 1.0 0.02 0.02) = 0.051% HN ASN 57 - HA GLU- 107 3.704% * 0.0474% (0.32 1.0 0.02 0.02) = 0.047% HN LYS+ 60 - HA ARG+ 84 3.704% * 0.0452% (0.30 1.0 0.02 0.02) = 0.045% HN LYS+ 32 - HA ARG+ 84 3.704% * 0.0440% (0.30 1.0 0.02 0.02) = 0.044% HN ASN 57 - HA ARG+ 84 3.704% * 0.0409% (0.27 1.0 0.02 0.02) = 0.041% HN LYS+ 60 - HA LYS+ 108 3.704% * 0.0262% (0.18 1.0 0.02 0.02) = 0.026% HN LYS+ 32 - HA LYS+ 108 3.704% * 0.0255% (0.17 1.0 0.02 0.02) = 0.026% HN LYS+ 60 - HA GLU- 10 3.704% * 0.0255% (0.17 1.0 0.02 0.02) = 0.025% HN LYS+ 32 - HA GLU- 10 3.704% * 0.0248% (0.17 1.0 0.02 0.02) = 0.025% HN ASN 57 - HA LYS+ 108 3.704% * 0.0237% (0.16 1.0 0.02 0.02) = 0.024% HN ASN 57 - HA GLU- 10 3.704% * 0.0230% (0.15 1.0 0.02 0.02) = 0.023% HN LYS+ 60 - HA ASP- 36 3.704% * 0.0124% (0.08 1.0 0.02 0.02) = 0.012% HN LYS+ 32 - HA ASP- 36 3.704% * 0.0121% (0.08 1.0 0.02 0.02) = 0.012% HN ASN 57 - HA ASP- 36 3.704% * 0.0112% (0.08 1.0 0.02 0.02) = 0.011% Peak 977 (7.51, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.6, support = 2.0, residual support = 3.06: HE3 TRP 51 - QD1 ILE 29 25.000% * 48.4802% (0.63 2.09 3.18) = 48.480% kept HE3 TRP 51 - QG1 VAL 13 25.000% * 45.9147% (0.59 2.12 3.30) = 45.915% kept HN ASP- 82 - QD1 ILE 29 25.000% * 4.1773% (0.47 0.24 0.02) = 4.177% kept HN ASP- 82 - QG1 VAL 13 25.000% * 1.4278% (0.44 0.09 0.02) = 1.428% kept Peak 980 (4.35, 0.83, 15.60 ppm): 12 chemical-shift based assignments, quality = 0.271, support = 1.14, residual support = 2.47: HA TRP 51 - QG1 VAL 13 8.333% * 37.7768% (0.27 1.45 3.30) = 37.777% kept HA TRP 51 - QD1 ILE 29 8.333% * 36.9321% (0.27 1.41 3.18) = 36.932% kept HA SER 27 - QD1 ILE 29 8.333% * 9.0175% (0.15 0.62 0.43) = 9.017% kept HB THR 61 - QD1 ILE 29 8.333% * 5.4416% (0.48 0.12 0.15) = 5.442% kept HA LYS+ 60 - QG1 VAL 13 8.333% * 4.4141% (0.24 0.19 0.02) = 4.414% kept HA LYS+ 60 - QD1 ILE 29 8.333% * 2.2841% (0.24 0.10 0.02) = 2.284% kept HA2 GLY 26 - QD1 ILE 29 8.333% * 1.1448% (0.59 0.02 0.02) = 1.145% kept HA2 GLY 26 - QG1 VAL 13 8.333% * 1.1334% (0.59 0.02 0.02) = 1.133% kept HB THR 61 - QG1 VAL 13 8.333% * 0.9096% (0.47 0.02 0.02) = 0.910% HA ALA 37 - QD1 ILE 29 8.333% * 0.3305% (0.17 0.02 0.02) = 0.331% HA ALA 37 - QG1 VAL 13 8.333% * 0.3273% (0.17 0.02 0.35) = 0.327% HA SER 27 - QG1 VAL 13 8.333% * 0.2883% (0.15 0.02 0.02) = 0.288% Peak 984 (3.84, 3.84, 56.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 988 (3.28, 0.83, 15.62 ppm): 4 chemical-shift based assignments, quality = 0.96, support = 0.02, residual support = 0.02: HD3 ARG+ 53 - QD1 ILE 29 25.000% * 25.4752% (0.98 0.02 0.02) = 25.475% kept HE3 LYS+ 63 - QD1 ILE 29 25.000% * 25.3060% (0.97 0.02 0.02) = 25.306% kept HD3 ARG+ 53 - QG1 VAL 13 25.000% * 24.6914% (0.95 0.02 0.02) = 24.691% kept HE3 LYS+ 63 - QG1 VAL 13 25.000% * 24.5274% (0.94 0.02 0.02) = 24.527% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 989 (3.08, 0.83, 15.62 ppm): 6 chemical-shift based assignments, quality = 0.371, support = 1.52, residual support = 2.72: HB3 TRP 51 - QD1 ILE 29 16.667% * 35.1001% (0.40 1.75 3.18) = 35.100% kept HB3 TRP 51 - QG1 VAL 13 16.667% * 34.6938% (0.39 1.78 3.30) = 34.694% kept HA1 GLY 58 - QD1 ILE 29 16.667% * 20.2867% (0.34 1.20 2.20) = 20.287% kept HA1 GLY 58 - QG1 VAL 13 16.667% * 8.9068% (0.32 0.54 0.12) = 8.907% kept HA VAL 47 - QD1 ILE 29 16.667% * 0.5145% (0.51 0.02 0.02) = 0.515% HA VAL 47 - QG1 VAL 13 16.667% * 0.4981% (0.49 0.02 0.02) = 0.498% Peak 990 (2.64, 4.21, 57.06 ppm): 20 chemical-shift based assignments, quality = 0.818, support = 3.09, residual support = 29.8: O T HB3 ASP- 82 - HA ASP- 82 5.000% * 91.5396% (0.84 10.0 10.00 3.32 32.49) = 91.540% kept HA1 GLY 58 - HA ASP- 82 5.000% * 5.1292% (0.87 1.0 1.00 1.08 0.27) = 5.129% kept T HB3 ASP- 36 - HA ASP- 82 5.000% * 0.8507% (0.78 1.0 10.00 0.02 0.02) = 0.851% T HB3 ASP- 82 - HA GLU- 12 5.000% * 0.6792% (0.63 1.0 10.00 0.02 0.02) = 0.679% T HB3 ASP- 36 - HA GLU- 12 5.000% * 0.6311% (0.58 1.0 10.00 0.02 0.02) = 0.631% HA1 GLY 58 - HA GLU- 12 5.000% * 0.5217% (0.65 1.0 1.00 0.15 0.02) = 0.522% T HB3 ASP- 82 - HA LYS+ 108 5.000% * 0.1385% (0.13 1.0 10.00 0.02 0.02) = 0.138% T HB3 ASP- 82 - HA GLU- 10 5.000% * 0.1345% (0.12 1.0 10.00 0.02 0.02) = 0.135% T HB3 ASP- 36 - HA LYS+ 108 5.000% * 0.1287% (0.12 1.0 10.00 0.02 0.02) = 0.129% T HB3 ASP- 36 - HA GLU- 10 5.000% * 0.1250% (0.12 1.0 10.00 0.02 0.11) = 0.125% HB2 ASP- 25 - HA ASP- 82 5.000% * 0.0293% (0.27 1.0 1.00 0.02 0.02) = 0.029% HB2 ASP- 25 - HA GLU- 12 5.000% * 0.0217% (0.20 1.0 1.00 0.02 0.02) = 0.022% HE2 LYS+ 20 - HA ASP- 82 5.000% * 0.0166% (0.15 1.0 1.00 0.02 0.02) = 0.017% HA1 GLY 58 - HA LYS+ 108 5.000% * 0.0143% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA1 GLY 58 - HA GLU- 10 5.000% * 0.0139% (0.13 1.0 1.00 0.02 0.02) = 0.014% HE2 LYS+ 20 - HA GLU- 12 5.000% * 0.0123% (0.11 1.0 1.00 0.02 0.02) = 0.012% HB2 ASP- 25 - HA LYS+ 108 5.000% * 0.0044% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 ASP- 25 - HA GLU- 10 5.000% * 0.0043% (0.04 1.0 1.00 0.02 0.02) = 0.004% HE2 LYS+ 20 - HA LYS+ 108 5.000% * 0.0025% (0.02 1.0 1.00 0.02 0.02) = 0.003% HE2 LYS+ 20 - HA GLU- 10 5.000% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 991 (2.29, 4.27, 56.99 ppm): 64 chemical-shift based assignments, quality = 0.465, support = 1.4, residual support = 6.03: O T HG3 GLU- 75 - HA GLU- 75 1.563% * 32.6073% (0.35 10.0 10.00 1.88 10.58) = 32.607% kept O T HG2 GLU- 64 - HA GLU- 64 1.563% * 25.0677% (0.27 10.0 10.00 1.00 8.11) = 25.068% kept HB2 PRO 86 - HA SER 85 1.563% * 9.1375% (0.93 1.0 1.00 2.13 1.32) = 9.138% kept HB3 PRO 35 - HA GLU- 75 1.563% * 7.2235% (0.93 1.0 1.00 1.67 2.60) = 7.224% kept HB2 PRO 86 - HA GLU- 64 1.563% * 3.5493% (0.90 1.0 1.00 0.86 2.89) = 3.549% kept HB3 PRO 86 - HA SER 85 1.563% * 2.9814% (0.30 1.0 1.00 2.13 1.32) = 2.981% kept HB3 PRO 35 - HA GLU- 56 1.563% * 2.8663% (0.71 1.0 1.00 0.87 0.16) = 2.866% kept HB3 PRO 35 - HA GLU- 64 1.563% * 2.4900% (0.94 1.0 1.00 0.57 0.02) = 2.490% kept HB2 PRO 86 - HA GLU- 75 1.563% * 2.1766% (0.89 1.0 1.00 0.53 1.98) = 2.177% kept T HG2 GLU- 64 - HA ARG+ 84 1.563% * 2.1384% (0.14 1.0 10.00 0.32 0.02) = 2.138% kept HA1 GLY 58 - HA GLU- 75 1.563% * 1.7649% (0.48 1.0 1.00 0.79 0.59) = 1.765% kept HA1 GLY 58 - HA GLU- 56 1.563% * 1.6961% (0.37 1.0 1.00 1.00 0.02) = 1.696% kept HB3 PRO 86 - HA GLU- 75 1.563% * 1.4829% (0.29 1.0 1.00 1.11 1.98) = 1.483% kept HA1 GLY 58 - HA ARG+ 84 1.563% * 1.4584% (0.26 1.0 1.00 1.23 0.56) = 1.458% kept T HG3 GLU- 75 - HA GLU- 64 1.563% * 0.3285% (0.36 1.0 10.00 0.02 0.02) = 0.329% T HB VAL 80 - HA SER 85 1.563% * 0.2793% (0.30 1.0 10.00 0.02 0.02) = 0.279% T HG2 GLU- 64 - HA SER 85 1.563% * 0.2592% (0.28 1.0 10.00 0.02 0.02) = 0.259% T HG2 GLU- 64 - HA GLU- 75 1.563% * 0.2488% (0.27 1.0 10.00 0.02 0.02) = 0.249% T HG3 GLU- 75 - HA GLU- 56 1.563% * 0.2480% (0.27 1.0 10.00 0.02 0.02) = 0.248% T HG2 GLU- 64 - HA GLU- 56 1.563% * 0.1892% (0.20 1.0 10.00 0.02 0.39) = 0.189% T HG3 GLU- 75 - HA GLU- 107 1.563% * 0.1691% (0.18 1.0 10.00 0.02 0.02) = 0.169% T HB VAL 80 - HA ARG+ 84 1.563% * 0.1426% (0.15 1.0 10.00 0.02 0.02) = 0.143% T HG2 GLU- 64 - HA GLU- 107 1.563% * 0.1290% (0.14 1.0 10.00 0.02 0.02) = 0.129% HB3 PRO 35 - HA SER 85 1.563% * 0.0899% (0.97 1.0 1.00 0.02 0.02) = 0.090% HB2 LYS+ 44 - HA SER 85 1.563% * 0.0835% (0.90 1.0 1.00 0.02 0.02) = 0.084% HB2 LYS+ 44 - HA GLU- 64 1.563% * 0.0808% (0.87 1.0 1.00 0.02 0.56) = 0.081% HB2 LYS+ 44 - HA GLU- 75 1.563% * 0.0802% (0.87 1.0 1.00 0.02 0.58) = 0.080% T HG3 GLU- 75 - HA LYS+ 108 1.563% * 0.0748% (0.08 1.0 10.00 0.02 0.02) = 0.075% T HG3 GLU- 75 - HA GLU- 10 1.563% * 0.0733% (0.08 1.0 10.00 0.02 0.02) = 0.073% HB2 PRO 86 - HA GLU- 56 1.563% * 0.0625% (0.68 1.0 1.00 0.02 0.02) = 0.063% HB2 LYS+ 44 - HA GLU- 56 1.563% * 0.0610% (0.66 1.0 1.00 0.02 0.02) = 0.061% HA1 GLY 58 - HA SER 85 1.563% * 0.0465% (0.50 1.0 1.00 0.02 0.02) = 0.046% HB3 PRO 35 - HA ARG+ 84 1.563% * 0.0459% (0.50 1.0 1.00 0.02 0.02) = 0.046% HA1 GLY 58 - HA GLU- 64 1.563% * 0.0449% (0.49 1.0 1.00 0.02 0.02) = 0.045% HB3 PRO 35 - HA GLU- 107 1.563% * 0.0447% (0.48 1.0 1.00 0.02 0.02) = 0.045% HB2 PRO 86 - HA ARG+ 84 1.563% * 0.0437% (0.47 1.0 1.00 0.02 0.02) = 0.044% HB2 LYS+ 44 - HA ARG+ 84 1.563% * 0.0427% (0.46 1.0 1.00 0.02 0.02) = 0.043% HB2 PRO 86 - HA GLU- 107 1.563% * 0.0426% (0.46 1.0 1.00 0.02 0.02) = 0.043% HB2 LYS+ 44 - HA GLU- 107 1.563% * 0.0416% (0.45 1.0 1.00 0.02 0.02) = 0.042% HG3 GLU- 75 - HA SER 85 1.563% * 0.0340% (0.37 1.0 1.00 0.02 0.13) = 0.034% HB VAL 80 - HA GLU- 64 1.563% * 0.0270% (0.29 1.0 1.00 0.02 0.02) = 0.027% HB3 PRO 86 - HA GLU- 64 1.563% * 0.0270% (0.29 1.0 1.00 0.02 2.89) = 0.027% HB VAL 80 - HA GLU- 75 1.563% * 0.0268% (0.29 1.0 1.00 0.02 0.02) = 0.027% HA1 GLY 58 - HA GLU- 107 1.563% * 0.0231% (0.25 1.0 1.00 0.02 0.02) = 0.023% HB3 PRO 86 - HA GLU- 56 1.563% * 0.0204% (0.22 1.0 1.00 0.02 0.02) = 0.020% HB VAL 80 - HA GLU- 56 1.563% * 0.0204% (0.22 1.0 1.00 0.02 0.02) = 0.020% HB3 PRO 35 - HA LYS+ 108 1.563% * 0.0198% (0.21 1.0 1.00 0.02 0.02) = 0.020% HB3 PRO 35 - HA GLU- 10 1.563% * 0.0194% (0.21 1.0 1.00 0.02 0.02) = 0.019% HB2 PRO 86 - HA LYS+ 108 1.563% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% HB2 PRO 86 - HA GLU- 10 1.563% * 0.0185% (0.20 1.0 1.00 0.02 0.02) = 0.018% HB2 LYS+ 44 - HA LYS+ 108 1.563% * 0.0184% (0.20 1.0 1.00 0.02 0.02) = 0.018% HB2 LYS+ 44 - HA GLU- 10 1.563% * 0.0180% (0.20 1.0 1.00 0.02 0.02) = 0.018% HG3 GLU- 75 - HA ARG+ 84 1.563% * 0.0173% (0.19 1.0 1.00 0.02 0.02) = 0.017% HB3 PRO 86 - HA ARG+ 84 1.563% * 0.0143% (0.15 1.0 1.00 0.02 0.02) = 0.014% HB VAL 80 - HA GLU- 107 1.563% * 0.0139% (0.15 1.0 1.00 0.02 0.02) = 0.014% HB3 PRO 86 - HA GLU- 107 1.563% * 0.0139% (0.15 1.0 1.00 0.02 0.02) = 0.014% HA1 GLY 58 - HA LYS+ 108 1.563% * 0.0102% (0.11 1.0 1.00 0.02 0.02) = 0.010% HA1 GLY 58 - HA GLU- 10 1.563% * 0.0100% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB3 PRO 86 - HA LYS+ 108 1.563% * 0.0062% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB VAL 80 - HA LYS+ 108 1.563% * 0.0062% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB VAL 80 - HA GLU- 10 1.563% * 0.0060% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 86 - HA GLU- 10 1.563% * 0.0060% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG2 GLU- 64 - HA LYS+ 108 1.563% * 0.0057% (0.06 1.0 1.00 0.02 0.02) = 0.006% HG2 GLU- 64 - HA GLU- 10 1.563% * 0.0056% (0.06 1.0 1.00 0.02 0.02) = 0.006% Peak 992 (2.21, 4.22, 56.98 ppm): 90 chemical-shift based assignments, quality = 0.32, support = 0.443, residual support = 0.222: HG3 GLN 16 - HA GLU- 12 1.111% * 15.1412% (0.94 1.0 0.25 0.02) = 15.141% kept HA1 GLY 58 - HA ASP- 82 1.111% * 14.7284% (0.21 1.0 1.08 0.27) = 14.728% kept O HG3 GLU- 56 - HA GLU- 56 1.111% * 11.5983% (0.02 10.0 1.00 1.31) = 11.598% kept HB3 PRO 35 - HA GLU- 56 1.111% * 5.7534% (0.10 1.0 0.87 0.16) = 5.753% kept HB2 GLU- 50 - HA GLU- 12 1.111% * 3.9855% (0.77 1.0 0.08 0.02) = 3.985% kept HG3 GLN 16 - HA LYS+ 108 1.111% * 3.5756% (0.40 1.0 0.14 0.02) = 3.576% kept HG3 GLN 102 - HA ASP- 82 1.111% * 3.4733% (0.36 1.0 0.15 0.02) = 3.473% kept HA1 GLY 58 - HA GLU- 12 1.111% * 3.3018% (0.35 1.0 0.15 0.02) = 3.302% kept HG3 GLU- 64 - HA GLU- 56 1.111% * 3.2353% (0.09 1.0 0.56 0.39) = 3.235% kept HB3 PRO 35 - HA ASP- 82 1.111% * 3.2056% (0.45 1.0 0.11 0.02) = 3.206% kept HA1 GLY 58 - HA GLU- 56 1.111% * 3.0933% (0.05 1.0 1.00 0.02) = 3.093% kept HG3 GLN 16 - HA ASP- 82 1.111% * 3.0539% (0.57 1.0 0.08 0.02) = 3.054% kept HG3 GLU- 64 - HA ASP- 82 1.111% * 1.9289% (0.40 1.0 0.08 0.02) = 1.929% kept HB2 GLU- 50 - HA GLU- 10 1.111% * 1.6692% (0.32 1.0 0.08 0.02) = 1.669% kept HG2 GLU- 64 - HA GLU- 12 1.111% * 1.1756% (0.91 1.0 0.02 0.02) = 1.176% kept HG3 MET 97 - HA GLU- 12 1.111% * 1.1063% (0.86 1.0 0.02 0.02) = 1.106% kept HB3 GLU- 75 - HA GLU- 10 1.111% * 1.0363% (0.06 1.0 0.29 0.02) = 1.036% kept HB3 PRO 35 - HA GLU- 12 1.111% * 0.9478% (0.74 1.0 0.02 0.02) = 0.948% HG3 GLU- 18 - HA GLU- 12 1.111% * 0.8957% (0.70 1.0 0.02 0.02) = 0.896% HG3 GLU- 64 - HA GLU- 12 1.111% * 0.8358% (0.65 1.0 0.02 0.02) = 0.836% HG3 GLN 102 - HA GLU- 12 1.111% * 0.7482% (0.58 1.0 0.02 0.02) = 0.748% HG2 GLU- 64 - HA ASP- 82 1.111% * 0.7190% (0.56 1.0 0.02 0.02) = 0.719% HB3 GLU- 75 - HA GLU- 56 1.111% * 0.7093% (0.02 1.0 0.59 0.02) = 0.709% HG3 MET 97 - HA ASP- 82 1.111% * 0.6766% (0.53 1.0 0.02 0.02) = 0.677% HB2 GLU- 50 - HA ASP- 82 1.111% * 0.6041% (0.47 1.0 0.02 0.02) = 0.604% HB3 PRO 52 - HA GLU- 12 1.111% * 0.5530% (0.43 1.0 0.02 0.02) = 0.553% HG3 GLU- 18 - HA ASP- 82 1.111% * 0.5478% (0.43 1.0 0.02 0.02) = 0.548% HG3 GLN 16 - HA GLU- 10 1.111% * 0.5064% (0.39 1.0 0.02 0.02) = 0.506% HG2 GLU- 64 - HA LYS+ 108 1.111% * 0.5020% (0.39 1.0 0.02 0.02) = 0.502% HG2 GLU- 64 - HA GLU- 10 1.111% * 0.4924% (0.38 1.0 0.02 0.02) = 0.492% HG3 MET 97 - HA LYS+ 108 1.111% * 0.4724% (0.37 1.0 0.02 0.02) = 0.472% HG3 MET 97 - HA GLU- 10 1.111% * 0.4633% (0.36 1.0 0.02 0.02) = 0.463% HB2 GLU- 50 - HA LYS+ 108 1.111% * 0.4218% (0.33 1.0 0.02 0.02) = 0.422% HB3 PRO 35 - HA LYS+ 108 1.111% * 0.4047% (0.31 1.0 0.02 0.02) = 0.405% HB3 PRO 35 - HA GLU- 10 1.111% * 0.3970% (0.31 1.0 0.02 0.02) = 0.397% HG3 GLU- 18 - HA LYS+ 108 1.111% * 0.3825% (0.30 1.0 0.02 0.02) = 0.382% HG3 GLU- 18 - HA GLU- 10 1.111% * 0.3752% (0.29 1.0 0.02 0.02) = 0.375% HG3 GLU- 64 - HA LYS+ 108 1.111% * 0.3569% (0.28 1.0 0.02 0.02) = 0.357% HG3 GLU- 64 - HA GLU- 10 1.111% * 0.3500% (0.27 1.0 0.02 0.02) = 0.350% HB3 PRO 52 - HA ASP- 82 1.111% * 0.3382% (0.26 1.0 0.02 0.02) = 0.338% HG3 GLN 102 - HA LYS+ 108 1.111% * 0.3195% (0.25 1.0 0.02 0.02) = 0.319% HG3 GLN 102 - HA GLU- 10 1.111% * 0.3134% (0.24 1.0 0.02 0.02) = 0.313% HB VAL 99 - HA GLU- 12 1.111% * 0.2746% (0.21 1.0 0.02 0.02) = 0.275% HB3 PRO 104 - HA GLU- 12 1.111% * 0.2441% (0.19 1.0 0.02 0.02) = 0.244% HB3 PRO 52 - HA LYS+ 108 1.111% * 0.2361% (0.18 1.0 0.02 0.02) = 0.236% HB3 PRO 52 - HA GLU- 10 1.111% * 0.2316% (0.18 1.0 0.02 0.02) = 0.232% HG2 GLN 16 - HA GLU- 12 1.111% * 0.2160% (0.17 1.0 0.02 0.02) = 0.216% HA1 GLY 58 - HA LYS+ 108 1.111% * 0.1901% (0.15 1.0 0.02 0.02) = 0.190% HA1 GLY 58 - HA GLU- 10 1.111% * 0.1865% (0.14 1.0 0.02 0.02) = 0.186% HB3 GLU- 75 - HA GLU- 12 1.111% * 0.1728% (0.13 1.0 0.02 0.02) = 0.173% HG3 GLN 16 - HA GLU- 56 1.111% * 0.1680% (0.13 1.0 0.02 0.02) = 0.168% HB VAL 99 - HA ASP- 82 1.111% * 0.1680% (0.13 1.0 0.02 0.02) = 0.168% HG3 GLU- 56 - HA GLU- 12 1.111% * 0.1669% (0.13 1.0 0.02 0.02) = 0.167% HG2 GLU- 64 - HA GLU- 56 1.111% * 0.1634% (0.13 1.0 0.02 0.39) = 0.163% HG3 MET 97 - HA GLU- 56 1.111% * 0.1537% (0.12 1.0 0.02 0.02) = 0.154% HB3 PRO 104 - HA ASP- 82 1.111% * 0.1493% (0.12 1.0 0.02 0.02) = 0.149% HG3 GLN 16 - HA GLU- 107 1.111% * 0.1409% (0.11 1.0 0.02 0.02) = 0.141% HB2 GLU- 50 - HA GLU- 56 1.111% * 0.1372% (0.11 1.0 0.02 0.02) = 0.137% HG2 GLU- 64 - HA GLU- 107 1.111% * 0.1370% (0.11 1.0 0.02 0.02) = 0.137% HG2 GLN 16 - HA ASP- 82 1.111% * 0.1321% (0.10 1.0 0.02 0.02) = 0.132% HG3 MET 97 - HA GLU- 107 1.111% * 0.1289% (0.10 1.0 0.02 0.02) = 0.129% HG3 GLU- 18 - HA GLU- 56 1.111% * 0.1245% (0.10 1.0 0.02 0.02) = 0.124% HB VAL 99 - HA LYS+ 108 1.111% * 0.1173% (0.09 1.0 0.02 0.02) = 0.117% HB2 GLU- 50 - HA GLU- 107 1.111% * 0.1151% (0.09 1.0 0.02 0.02) = 0.115% HB VAL 99 - HA GLU- 10 1.111% * 0.1150% (0.09 1.0 0.02 0.02) = 0.115% HB3 PRO 35 - HA GLU- 107 1.111% * 0.1105% (0.09 1.0 0.02 0.02) = 0.110% HB3 GLU- 75 - HA ASP- 82 1.111% * 0.1057% (0.08 1.0 0.02 0.02) = 0.106% HG3 GLU- 18 - HA GLU- 107 1.111% * 0.1044% (0.08 1.0 0.02 0.02) = 0.104% HB3 PRO 104 - HA LYS+ 108 1.111% * 0.1042% (0.08 1.0 0.02 0.02) = 0.104% HG3 GLN 102 - HA GLU- 56 1.111% * 0.1040% (0.08 1.0 0.02 0.02) = 0.104% HB3 PRO 104 - HA GLU- 10 1.111% * 0.1022% (0.08 1.0 0.02 0.02) = 0.102% HG3 GLU- 56 - HA ASP- 82 1.111% * 0.1021% (0.08 1.0 0.02 0.02) = 0.102% HG3 GLU- 64 - HA GLU- 107 1.111% * 0.0974% (0.08 1.0 0.02 0.02) = 0.097% HG2 GLN 16 - HA LYS+ 108 1.111% * 0.0922% (0.07 1.0 0.02 0.02) = 0.092% HG2 GLN 16 - HA GLU- 10 1.111% * 0.0905% (0.07 1.0 0.02 0.02) = 0.090% HG3 GLN 102 - HA GLU- 107 1.111% * 0.0872% (0.07 1.0 0.02 0.02) = 0.087% HB3 PRO 52 - HA GLU- 56 1.111% * 0.0768% (0.06 1.0 0.02 0.02) = 0.077% HB3 GLU- 75 - HA LYS+ 108 1.111% * 0.0738% (0.06 1.0 0.02 0.02) = 0.074% HG3 GLU- 56 - HA LYS+ 108 1.111% * 0.0713% (0.06 1.0 0.02 0.02) = 0.071% HG3 GLU- 56 - HA GLU- 10 1.111% * 0.0699% (0.05 1.0 0.02 0.02) = 0.070% HB3 PRO 52 - HA GLU- 107 1.111% * 0.0645% (0.05 1.0 0.02 0.02) = 0.064% HA1 GLY 58 - HA GLU- 107 1.111% * 0.0519% (0.04 1.0 0.02 0.02) = 0.052% HB VAL 99 - HA GLU- 56 1.111% * 0.0382% (0.03 1.0 0.02 0.02) = 0.038% HB3 PRO 104 - HA GLU- 56 1.111% * 0.0339% (0.03 1.0 0.02 0.02) = 0.034% HB VAL 99 - HA GLU- 107 1.111% * 0.0320% (0.02 1.0 0.02 0.02) = 0.032% HG2 GLN 16 - HA GLU- 56 1.111% * 0.0300% (0.02 1.0 0.02 0.02) = 0.030% HB3 PRO 104 - HA GLU- 107 1.111% * 0.0285% (0.02 1.0 0.02 0.02) = 0.028% HG2 GLN 16 - HA GLU- 107 1.111% * 0.0252% (0.02 1.0 0.02 0.02) = 0.025% HB3 GLU- 75 - HA GLU- 107 1.111% * 0.0201% (0.02 1.0 0.02 0.02) = 0.020% HG3 GLU- 56 - HA GLU- 107 1.111% * 0.0195% (0.02 1.0 0.02 0.02) = 0.019% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 994 (1.91, 0.83, 15.60 ppm): 20 chemical-shift based assignments, quality = 0.672, support = 2.57, residual support = 35.2: O HB ILE 29 - QD1 ILE 29 5.000% * 62.9406% (0.79 10.0 1.00 3.49 54.10) = 62.941% kept T HB2 GLU- 75 - QD1 ILE 29 5.000% * 10.8763% (0.19 1.0 10.00 1.40 1.70) = 10.876% kept T HG2 GLU- 18 - QG1 VAL 13 5.000% * 9.3562% (0.27 1.0 10.00 0.86 0.65) = 9.356% kept HB2 LEU 23 - QD1 ILE 29 5.000% * 5.7423% (0.93 1.0 1.00 1.54 14.94) = 5.742% kept HB2 LEU 23 - QG1 VAL 13 5.000% * 3.2087% (0.92 1.0 1.00 0.87 0.22) = 3.209% kept T HB2 GLU- 75 - QG1 VAL 13 5.000% * 2.6736% (0.19 1.0 10.00 0.35 0.02) = 2.674% kept HB ILE 29 - QG1 VAL 13 5.000% * 1.5755% (0.78 1.0 1.00 0.51 0.02) = 1.575% kept HD3 LYS+ 63 - QD1 ILE 29 5.000% * 1.4697% (0.98 1.0 1.00 0.38 0.02) = 1.470% kept HD3 LYS+ 63 - QG1 VAL 13 5.000% * 1.4325% (0.97 1.0 1.00 0.37 0.02) = 1.432% kept T HG2 GLU- 18 - QD1 ILE 29 5.000% * 0.2185% (0.27 1.0 10.00 0.02 0.02) = 0.219% HB3 GLU- 56 - QD1 ILE 29 5.000% * 0.0759% (0.95 1.0 1.00 0.02 0.02) = 0.076% HB3 GLU- 56 - QG1 VAL 13 5.000% * 0.0751% (0.94 1.0 1.00 0.02 0.02) = 0.075% HB3 GLN 102 - QD1 ILE 29 5.000% * 0.0705% (0.88 1.0 1.00 0.02 0.02) = 0.070% HB3 GLN 102 - QG1 VAL 13 5.000% * 0.0698% (0.87 1.0 1.00 0.02 0.02) = 0.070% HB3 ARG+ 53 - QD1 ILE 29 5.000% * 0.0508% (0.64 1.0 1.00 0.02 0.02) = 0.051% HB3 ARG+ 53 - QG1 VAL 13 5.000% * 0.0503% (0.63 1.0 1.00 0.02 0.02) = 0.050% HB2 GLU- 10 - QD1 ILE 29 5.000% * 0.0352% (0.44 1.0 1.00 0.02 0.02) = 0.035% HB2 GLU- 10 - QG1 VAL 13 5.000% * 0.0349% (0.44 1.0 1.00 0.02 0.02) = 0.035% HB3 GLN 16 - QD1 ILE 29 5.000% * 0.0219% (0.27 1.0 1.00 0.02 0.02) = 0.022% HB3 GLN 16 - QG1 VAL 13 5.000% * 0.0216% (0.27 1.0 1.00 0.02 0.02) = 0.022% Peak 995 (1.72, 0.83, 15.58 ppm): 6 chemical-shift based assignments, quality = 0.41, support = 0.735, residual support = 7.11: HB3 LEU 23 - QD1 ILE 29 16.667% * 46.4278% (0.17 1.33 14.94) = 46.428% kept HB2 GLN 16 - QD1 ILE 29 16.667% * 24.6368% (0.97 0.12 0.02) = 24.637% kept HB3 LEU 23 - QG1 VAL 13 16.667% * 16.7521% (0.17 0.47 0.22) = 16.752% kept HB ILE 48 - QD1 ILE 29 16.667% * 6.9978% (0.27 0.13 1.88) = 6.998% kept HB2 GLN 16 - QG1 VAL 13 16.667% * 4.0574% (0.99 0.02 0.02) = 4.057% kept HB ILE 48 - QG1 VAL 13 16.667% * 1.1281% (0.27 0.02 0.02) = 1.128% kept Peak 996 (1.56, 0.83, 15.61 ppm): 20 chemical-shift based assignments, quality = 0.87, support = 2.23, residual support = 40.0: O HG12 ILE 29 - QD1 ILE 29 5.000% * 36.9038% (0.95 10.0 1.00 3.13 54.10) = 36.904% kept O HG13 ILE 29 - QD1 ILE 29 5.000% * 31.9404% (0.82 10.0 1.00 2.21 54.10) = 31.940% kept T HG LEU 17 - QD1 ILE 29 5.000% * 24.7410% (0.88 1.0 10.00 1.44 11.28) = 24.741% kept T HG LEU 17 - QG1 VAL 13 5.000% * 4.9628% (0.86 1.0 10.00 0.30 0.02) = 4.963% kept HB3 LEU 90 - QD1 ILE 29 5.000% * 0.9938% (0.90 1.0 1.00 0.56 0.02) = 0.994% HD3 LYS+ 81 - QD1 ILE 29 5.000% * 0.0375% (0.96 1.0 1.00 0.02 0.02) = 0.037% QB ALA 42 - QD1 ILE 29 5.000% * 0.0369% (0.95 1.0 1.00 0.02 0.02) = 0.037% HD3 LYS+ 81 - QG1 VAL 13 5.000% * 0.0367% (0.94 1.0 1.00 0.02 0.02) = 0.037% HD3 LYS+ 60 - QD1 ILE 29 5.000% * 0.0362% (0.93 1.0 1.00 0.02 0.02) = 0.036% QB ALA 42 - QG1 VAL 13 5.000% * 0.0361% (0.93 1.0 1.00 0.02 0.02) = 0.036% HG12 ILE 29 - QG1 VAL 13 5.000% * 0.0361% (0.93 1.0 1.00 0.02 0.02) = 0.036% HD3 LYS+ 60 - QG1 VAL 13 5.000% * 0.0354% (0.91 1.0 1.00 0.02 0.02) = 0.035% HB3 LEU 90 - QG1 VAL 13 5.000% * 0.0346% (0.89 1.0 1.00 0.02 0.02) = 0.035% HB ILE 19 - QD1 ILE 29 5.000% * 0.0332% (0.85 1.0 1.00 0.02 0.02) = 0.033% HB ILE 19 - QG1 VAL 13 5.000% * 0.0325% (0.83 1.0 1.00 0.02 0.02) = 0.032% HG13 ILE 29 - QG1 VAL 13 5.000% * 0.0313% (0.80 1.0 1.00 0.02 0.02) = 0.031% QG2 THR 24 - QD1 ILE 29 5.000% * 0.0278% (0.71 1.0 1.00 0.02 0.54) = 0.028% QG2 THR 24 - QG1 VAL 13 5.000% * 0.0272% (0.70 1.0 1.00 0.02 0.02) = 0.027% HB3 LYS+ 32 - QD1 ILE 29 5.000% * 0.0085% (0.22 1.0 1.00 0.02 0.02) = 0.009% HB3 LYS+ 32 - QG1 VAL 13 5.000% * 0.0083% (0.21 1.0 1.00 0.02 0.02) = 0.008% Peak 997 (0.92, 4.29, 57.07 ppm): 91 chemical-shift based assignments, quality = 0.218, support = 1.47, residual support = 7.11: O HB2 ARG+ 84 - HA ARG+ 84 1.099% * 69.0116% (0.18 10.0 1.80 9.90) = 69.012% kept HB2 ARG+ 84 - HA SER 85 1.099% * 13.3222% (0.53 1.0 1.17 1.96) = 13.322% kept QG2 VAL 87 - HA SER 85 1.099% * 4.2872% (0.18 1.0 1.13 0.11) = 4.287% kept QD1 LEU 17 - HA ASP- 36 1.099% * 2.1683% (0.18 1.0 0.55 0.25) = 2.168% kept QG2 VAL 80 - HA GLU- 75 1.099% * 1.7997% (0.35 1.0 0.24 0.02) = 1.800% kept HG12 ILE 68 - HA ASP- 36 1.099% * 1.6517% (0.23 1.0 0.33 0.69) = 1.652% kept QG2 VAL 87 - HA GLU- 75 1.099% * 1.0362% (0.10 1.0 0.49 0.02) = 1.036% kept QD1 LEU 67 - HA ASP- 36 1.099% * 0.9486% (0.10 1.0 0.45 0.56) = 0.949% QG2 VAL 80 - HA SER 85 1.099% * 0.2713% (0.63 1.0 0.02 0.02) = 0.271% HG12 ILE 68 - HA SER 85 1.099% * 0.2683% (0.63 1.0 0.02 0.02) = 0.268% QG2 VAL 105 - HA SER 85 1.099% * 0.2192% (0.51 1.0 0.02 0.02) = 0.219% QD1 LEU 17 - HA SER 85 1.099% * 0.2092% (0.49 1.0 0.02 0.54) = 0.209% QG1 VAL 105 - HA SER 85 1.099% * 0.1988% (0.46 1.0 0.02 0.02) = 0.199% QG2 VAL 80 - HA GLU- 64 1.099% * 0.1498% (0.35 1.0 0.02 0.02) = 0.150% HG12 ILE 68 - HA GLU- 75 1.099% * 0.1482% (0.35 1.0 0.02 0.14) = 0.148% HG12 ILE 68 - HA GLU- 64 1.099% * 0.1482% (0.35 1.0 0.02 0.02) = 0.148% HB2 ARG+ 84 - HA GLU- 75 1.099% * 0.1263% (0.29 1.0 0.02 0.02) = 0.126% HB2 ARG+ 84 - HA GLU- 64 1.099% * 0.1263% (0.29 1.0 0.02 0.02) = 0.126% QG2 VAL 105 - HA GLU- 75 1.099% * 0.1210% (0.28 1.0 0.02 0.02) = 0.121% QG2 VAL 105 - HA GLU- 64 1.099% * 0.1210% (0.28 1.0 0.02 0.02) = 0.121% QD1 LEU 17 - HA GLU- 75 1.099% * 0.1155% (0.27 1.0 0.02 0.02) = 0.116% QD1 LEU 17 - HA GLU- 64 1.099% * 0.1155% (0.27 1.0 0.02 0.02) = 0.116% QD1 LEU 67 - HA SER 85 1.099% * 0.1125% (0.26 1.0 0.02 0.02) = 0.113% QG1 VAL 105 - HA GLU- 75 1.099% * 0.1098% (0.26 1.0 0.02 0.02) = 0.110% QG1 VAL 105 - HA GLU- 64 1.099% * 0.1098% (0.26 1.0 0.02 0.02) = 0.110% QG2 VAL 62 - HA SER 85 1.099% * 0.1027% (0.24 1.0 0.02 0.02) = 0.103% QG2 VAL 80 - HA ASP- 36 1.099% * 0.1015% (0.24 1.0 0.02 0.02) = 0.101% QG1 VAL 47 - HA SER 85 1.099% * 0.0934% (0.22 1.0 0.02 0.02) = 0.093% QG2 VAL 80 - HA GLU- 56 1.099% * 0.0917% (0.21 1.0 0.02 0.02) = 0.092% QG2 VAL 80 - HA ARG+ 84 1.099% * 0.0910% (0.21 1.0 0.02 0.02) = 0.091% HG12 ILE 68 - HA GLU- 56 1.099% * 0.0907% (0.21 1.0 0.02 0.02) = 0.091% HG12 ILE 68 - HA ARG+ 84 1.099% * 0.0900% (0.21 1.0 0.02 0.02) = 0.090% HB2 ARG+ 84 - HA ASP- 36 1.099% * 0.0855% (0.20 1.0 0.02 0.02) = 0.086% QG2 VAL 105 - HA ASP- 36 1.099% * 0.0820% (0.19 1.0 0.02 0.02) = 0.082% HB2 ARG+ 84 - HA GLU- 56 1.099% * 0.0773% (0.18 1.0 0.02 0.02) = 0.077% QG2 VAL 73 - HA SER 85 1.099% * 0.0761% (0.18 1.0 0.02 0.02) = 0.076% QG2 VAL 40 - HA SER 85 1.099% * 0.0761% (0.18 1.0 0.02 0.02) = 0.076% QG1 VAL 105 - HA ASP- 36 1.099% * 0.0743% (0.17 1.0 0.02 0.02) = 0.074% QG2 VAL 105 - HA GLU- 56 1.099% * 0.0741% (0.17 1.0 0.02 0.02) = 0.074% QG2 VAL 105 - HA ARG+ 84 1.099% * 0.0736% (0.17 1.0 0.02 0.02) = 0.074% QD1 LEU 17 - HA GLU- 56 1.099% * 0.0707% (0.17 1.0 0.02 0.02) = 0.071% QD1 LEU 17 - HA ARG+ 84 1.099% * 0.0702% (0.16 1.0 0.02 1.35) = 0.070% QG2 ILE 29 - HA SER 85 1.099% * 0.0683% (0.16 1.0 0.02 0.02) = 0.068% QG1 VAL 105 - HA GLU- 56 1.099% * 0.0672% (0.16 1.0 0.02 0.02) = 0.067% QG1 VAL 105 - HA ARG+ 84 1.099% * 0.0667% (0.16 1.0 0.02 0.02) = 0.067% QD1 LEU 67 - HA GLU- 75 1.099% * 0.0621% (0.15 1.0 0.02 1.73) = 0.062% QD1 LEU 67 - HA GLU- 64 1.099% * 0.0621% (0.15 1.0 0.02 0.02) = 0.062% QG2 VAL 62 - HA GLU- 75 1.099% * 0.0567% (0.13 1.0 0.02 0.12) = 0.057% QG2 VAL 62 - HA GLU- 64 1.099% * 0.0567% (0.13 1.0 0.02 3.30) = 0.057% QG1 VAL 47 - HA GLU- 75 1.099% * 0.0516% (0.12 1.0 0.02 0.21) = 0.052% QG1 VAL 47 - HA GLU- 64 1.099% * 0.0516% (0.12 1.0 0.02 0.34) = 0.052% QG2 VAL 73 - HA GLU- 75 1.099% * 0.0420% (0.10 1.0 0.02 0.02) = 0.042% QG2 VAL 40 - HA GLU- 75 1.099% * 0.0420% (0.10 1.0 0.02 0.02) = 0.042% QG2 VAL 73 - HA GLU- 64 1.099% * 0.0420% (0.10 1.0 0.02 0.02) = 0.042% QG2 VAL 40 - HA GLU- 64 1.099% * 0.0420% (0.10 1.0 0.02 0.02) = 0.042% QG2 VAL 87 - HA GLU- 64 1.099% * 0.0420% (0.10 1.0 0.02 0.02) = 0.042% QG2 VAL 62 - HA ASP- 36 1.099% * 0.0384% (0.09 1.0 0.02 0.02) = 0.038% QD1 LEU 67 - HA GLU- 56 1.099% * 0.0380% (0.09 1.0 0.02 0.02) = 0.038% QD1 LEU 67 - HA ARG+ 84 1.099% * 0.0378% (0.09 1.0 0.02 0.02) = 0.038% QG2 ILE 29 - HA GLU- 75 1.099% * 0.0377% (0.09 1.0 0.02 1.70) = 0.038% QG2 ILE 29 - HA GLU- 64 1.099% * 0.0377% (0.09 1.0 0.02 0.02) = 0.038% QG2 VAL 80 - HA GLU- 107 1.099% * 0.0356% (0.08 1.0 0.02 0.02) = 0.036% HG12 ILE 68 - HA GLU- 107 1.099% * 0.0352% (0.08 1.0 0.02 0.02) = 0.035% QG1 VAL 47 - HA ASP- 36 1.099% * 0.0349% (0.08 1.0 0.02 0.02) = 0.035% QG2 VAL 62 - HA GLU- 56 1.099% * 0.0347% (0.08 1.0 0.02 0.02) = 0.035% QG2 VAL 62 - HA ARG+ 84 1.099% * 0.0345% (0.08 1.0 0.02 0.02) = 0.034% QG1 VAL 47 - HA GLU- 56 1.099% * 0.0316% (0.07 1.0 0.02 0.02) = 0.032% QG1 VAL 47 - HA ARG+ 84 1.099% * 0.0313% (0.07 1.0 0.02 0.02) = 0.031% HB2 ARG+ 84 - HA GLU- 107 1.099% * 0.0300% (0.07 1.0 0.02 0.02) = 0.030% QG2 VAL 105 - HA GLU- 107 1.099% * 0.0288% (0.07 1.0 0.02 0.02) = 0.029% QG2 VAL 73 - HA ASP- 36 1.099% * 0.0285% (0.07 1.0 0.02 0.02) = 0.028% QG2 VAL 40 - HA ASP- 36 1.099% * 0.0285% (0.07 1.0 0.02 0.02) = 0.028% QG2 VAL 87 - HA ASP- 36 1.099% * 0.0285% (0.07 1.0 0.02 0.02) = 0.028% QD1 LEU 17 - HA GLU- 107 1.099% * 0.0275% (0.06 1.0 0.02 0.02) = 0.027% QG1 VAL 105 - HA GLU- 107 1.099% * 0.0261% (0.06 1.0 0.02 0.02) = 0.026% QG2 VAL 73 - HA GLU- 56 1.099% * 0.0257% (0.06 1.0 0.02 0.02) = 0.026% QG2 VAL 40 - HA GLU- 56 1.099% * 0.0257% (0.06 1.0 0.02 0.02) = 0.026% QG2 VAL 87 - HA GLU- 56 1.099% * 0.0257% (0.06 1.0 0.02 0.02) = 0.026% QG2 VAL 73 - HA ARG+ 84 1.099% * 0.0255% (0.06 1.0 0.02 0.02) = 0.026% QG2 VAL 87 - HA ARG+ 84 1.099% * 0.0255% (0.06 1.0 0.02 0.02) = 0.026% QG2 VAL 40 - HA ARG+ 84 1.099% * 0.0255% (0.06 1.0 0.02 0.12) = 0.026% QG2 ILE 29 - HA ASP- 36 1.099% * 0.0255% (0.06 1.0 0.02 0.02) = 0.026% QG2 ILE 29 - HA GLU- 56 1.099% * 0.0231% (0.05 1.0 0.02 0.02) = 0.023% QG2 ILE 29 - HA ARG+ 84 1.099% * 0.0229% (0.05 1.0 0.02 0.02) = 0.023% QD1 LEU 67 - HA GLU- 107 1.099% * 0.0148% (0.03 1.0 0.02 0.02) = 0.015% QG2 VAL 62 - HA GLU- 107 1.099% * 0.0135% (0.03 1.0 0.02 0.02) = 0.013% QG1 VAL 47 - HA GLU- 107 1.099% * 0.0123% (0.03 1.0 0.02 0.02) = 0.012% QG2 VAL 73 - HA GLU- 107 1.099% * 0.0100% (0.02 1.0 0.02 0.02) = 0.010% QG2 VAL 87 - HA GLU- 107 1.099% * 0.0100% (0.02 1.0 0.02 0.02) = 0.010% QG2 VAL 40 - HA GLU- 107 1.099% * 0.0100% (0.02 1.0 0.02 0.02) = 0.010% QG2 ILE 29 - HA GLU- 107 1.099% * 0.0090% (0.02 1.0 0.02 0.02) = 0.009% 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): 2 chemical-shift based assignments, quality = 0.973, support = 1.84, residual support = 12.1: QD2 LEU 23 - QD1 ILE 29 50.000% * 80.5237% (0.98 2.15 14.94) = 80.524% kept QD2 LEU 23 - QG1 VAL 13 50.000% * 19.4763% (0.97 0.53 0.22) = 19.476% kept Peak 1004 (8.65, 4.28, 56.71 ppm): 9 chemical-shift based assignments, quality = 0.274, support = 1.42, residual support = 3.7: O HN SER 85 - HA ARG+ 84 11.111% * 63.1810% (0.35 10.0 1.22 1.96) = 63.181% kept O HN SER 85 - HA SER 85 11.111% * 36.6516% (0.14 10.0 1.77 6.71) = 36.652% kept HN SER 85 - HA GLU- 107 11.111% * 0.0478% (0.16 1.0 0.02 0.02) = 0.048% HN SER 85 - HA GLU- 64 11.111% * 0.0367% (0.12 1.0 0.02 0.02) = 0.037% HN SER 85 - HA GLU- 75 11.111% * 0.0284% (0.10 1.0 0.02 0.13) = 0.028% HN SER 85 - HA ASN 76 11.111% * 0.0191% (0.06 1.0 0.02 0.02) = 0.019% HN SER 85 - HA GLU- 10 11.111% * 0.0126% (0.04 1.0 0.02 0.02) = 0.013% HN SER 85 - HA LYS+ 108 11.111% * 0.0125% (0.04 1.0 0.02 0.02) = 0.012% HN SER 85 - HA GLU- 56 11.111% * 0.0105% (0.04 1.0 0.02 0.02) = 0.010% Peak 1005 (8.34, 4.26, 56.70 ppm): 55 chemical-shift based assignments, quality = 0.336, support = 1.97, residual support = 8.31: O HN LYS+ 108 - HA GLU- 107 1.818% * 50.3995% (0.45 10.0 2.00 8.47) = 50.399% kept O HN LYS+ 108 - HA LYS+ 108 1.818% * 30.2778% (0.27 10.0 2.54 12.87) = 30.278% kept O HN ASN 76 - HA ASN 76 1.818% * 8.3935% (0.15 10.0 1.00 1.63) = 8.393% kept O HN ASN 76 - HA GLU- 75 1.818% * 8.1452% (0.12 10.0 1.22 0.10) = 8.145% kept HN ALA 103 - HA GLU- 64 1.818% * 1.5068% (0.31 1.0 0.86 0.12) = 1.507% kept HN GLU- 50 - HA GLU- 107 1.818% * 0.0886% (0.79 1.0 0.02 0.02) = 0.089% HN ALA 103 - HA GLU- 107 1.818% * 0.0768% (0.69 1.0 0.02 0.02) = 0.077% HN GLU- 50 - HA ARG+ 84 1.818% * 0.0715% (0.64 1.0 0.02 0.02) = 0.072% HN ALA 103 - HA ARG+ 84 1.818% * 0.0621% (0.55 1.0 0.02 0.02) = 0.062% HN GLU- 50 - HA GLU- 10 1.818% * 0.0540% (0.48 1.0 0.02 0.02) = 0.054% HN GLU- 50 - HA LYS+ 108 1.818% * 0.0531% (0.47 1.0 0.02 0.02) = 0.053% HN ALA 103 - HA GLU- 10 1.818% * 0.0468% (0.42 1.0 0.02 0.02) = 0.047% HN ALA 103 - HA LYS+ 108 1.818% * 0.0461% (0.41 1.0 0.02 0.02) = 0.046% HN GLU- 50 - HA ASN 76 1.818% * 0.0413% (0.37 1.0 0.02 0.02) = 0.041% HN LYS+ 108 - HA ARG+ 84 1.818% * 0.0408% (0.36 1.0 0.02 0.02) = 0.041% HN GLU- 50 - HA GLU- 64 1.818% * 0.0405% (0.36 1.0 0.02 0.02) = 0.041% HN ASN 76 - HA GLU- 107 1.818% * 0.0360% (0.32 1.0 0.02 0.02) = 0.036% HN ALA 103 - HA ASN 76 1.818% * 0.0358% (0.32 1.0 0.02 0.02) = 0.036% HN GLU- 50 - HA GLU- 75 1.818% * 0.0328% (0.29 1.0 0.02 0.02) = 0.033% HN LYS+ 108 - HA GLU- 10 1.818% * 0.0308% (0.27 1.0 0.02 0.02) = 0.031% HN ASN 76 - HA ARG+ 84 1.818% * 0.0291% (0.26 1.0 0.02 0.02) = 0.029% HN ALA 103 - HA GLU- 75 1.818% * 0.0284% (0.25 1.0 0.02 0.02) = 0.028% HN GLU- 50 - HA SER 85 1.818% * 0.0270% (0.24 1.0 0.02 0.02) = 0.027% HN GLY 71 - HA GLU- 107 1.818% * 0.0239% (0.21 1.0 0.02 0.02) = 0.024% HN LYS+ 108 - HA ASN 76 1.818% * 0.0235% (0.21 1.0 0.02 0.02) = 0.024% HN ALA 103 - HA SER 85 1.818% * 0.0234% (0.21 1.0 0.02 0.02) = 0.023% HN LYS+ 108 - HA GLU- 64 1.818% * 0.0231% (0.21 1.0 0.02 0.02) = 0.023% HN GLU- 50 - HA GLU- 18 1.818% * 0.0231% (0.21 1.0 0.02 0.02) = 0.023% HN ASN 76 - HA GLU- 10 1.818% * 0.0219% (0.20 1.0 0.02 0.02) = 0.022% HN ASN 76 - HA LYS+ 108 1.818% * 0.0216% (0.19 1.0 0.02 0.02) = 0.022% HN ALA 103 - HA GLU- 18 1.818% * 0.0200% (0.18 1.0 0.02 0.02) = 0.020% HN GLY 71 - HA ARG+ 84 1.818% * 0.0193% (0.17 1.0 0.02 0.02) = 0.019% HN LYS+ 108 - HA GLU- 75 1.818% * 0.0187% (0.17 1.0 0.02 0.02) = 0.019% HN GLU- 50 - HA GLU- 56 1.818% * 0.0171% (0.15 1.0 0.02 0.02) = 0.017% HN ASN 76 - HA GLU- 64 1.818% * 0.0165% (0.15 1.0 0.02 0.02) = 0.016% HN LYS+ 108 - HA SER 85 1.818% * 0.0154% (0.14 1.0 0.02 0.02) = 0.015% HN ALA 103 - HA GLU- 56 1.818% * 0.0148% (0.13 1.0 0.02 0.02) = 0.015% HN GLY 71 - HA GLU- 10 1.818% * 0.0146% (0.13 1.0 0.02 0.02) = 0.015% HN GLY 71 - HA LYS+ 108 1.818% * 0.0143% (0.13 1.0 0.02 0.02) = 0.014% HN LYS+ 108 - HA GLU- 18 1.818% * 0.0131% (0.12 1.0 0.02 0.02) = 0.013% HN GLY 71 - HA ASN 76 1.818% * 0.0112% (0.10 1.0 0.02 0.02) = 0.011% HN ASN 76 - HA SER 85 1.818% * 0.0110% (0.10 1.0 0.02 0.02) = 0.011% HN GLY 71 - HA GLU- 64 1.818% * 0.0110% (0.10 1.0 0.02 0.02) = 0.011% HN LYS+ 108 - HA GLU- 56 1.818% * 0.0097% (0.09 1.0 0.02 0.02) = 0.010% HN ASN 76 - HA GLU- 18 1.818% * 0.0094% (0.08 1.0 0.02 0.02) = 0.009% HN GLY 71 - HA GLU- 75 1.818% * 0.0089% (0.08 1.0 0.02 0.02) = 0.009% HN GLU- 50 - HA GLU- 12 1.818% * 0.0081% (0.07 1.0 0.02 0.02) = 0.008% HN GLY 71 - HA SER 85 1.818% * 0.0073% (0.07 1.0 0.02 0.02) = 0.007% HN ALA 103 - HA GLU- 12 1.818% * 0.0070% (0.06 1.0 0.02 0.02) = 0.007% HN ASN 76 - HA GLU- 56 1.818% * 0.0069% (0.06 1.0 0.02 0.02) = 0.007% HN GLY 71 - HA GLU- 18 1.818% * 0.0062% (0.06 1.0 0.02 0.02) = 0.006% HN GLY 71 - HA GLU- 56 1.818% * 0.0046% (0.04 1.0 0.02 0.02) = 0.005% HN LYS+ 108 - HA GLU- 12 1.818% * 0.0046% (0.04 1.0 0.02 0.02) = 0.005% HN ASN 76 - HA GLU- 12 1.818% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% HN GLY 71 - HA GLU- 12 1.818% * 0.0022% (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 = 0.441, support = 2.51, residual support = 12.7: O HN LYS+ 108 - HA LYS+ 108 5.000% * 98.6436% (0.45 10.0 2.54 12.87) = 98.644% kept HN LYS+ 108 - HA GLU- 12 5.000% * 0.1773% (0.80 1.0 0.02 0.02) = 0.177% HN ALA 103 - HA GLU- 12 5.000% * 0.1746% (0.79 1.0 0.02 0.02) = 0.175% HN GLY 71 - HA GLU- 12 5.000% * 0.1382% (0.63 1.0 0.02 0.02) = 0.138% HN LYS+ 108 - HA GLU- 10 5.000% * 0.0988% (0.45 1.0 0.02 0.02) = 0.099% HN ALA 103 - HA GLU- 10 5.000% * 0.0973% (0.44 1.0 0.02 0.02) = 0.097% HN ALA 103 - HA LYS+ 108 5.000% * 0.0971% (0.44 1.0 0.02 0.02) = 0.097% HN GLY 71 - HA GLU- 10 5.000% * 0.0771% (0.35 1.0 0.02 0.02) = 0.077% HN GLY 71 - HA LYS+ 108 5.000% * 0.0769% (0.35 1.0 0.02 0.02) = 0.077% HN GLU- 50 - HA GLU- 12 5.000% * 0.0744% (0.34 1.0 0.02 0.02) = 0.074% HN LYS+ 108 - HA ASP- 82 5.000% * 0.0433% (0.20 1.0 0.02 0.02) = 0.043% HN ALA 103 - HA ASP- 82 5.000% * 0.0426% (0.19 1.0 0.02 0.02) = 0.043% HN GLU- 50 - HA GLU- 10 5.000% * 0.0415% (0.19 1.0 0.02 0.02) = 0.041% HN GLU- 50 - HA LYS+ 108 5.000% * 0.0414% (0.19 1.0 0.02 0.02) = 0.041% HN LYS+ 108 - HA GLU- 18 5.000% * 0.0390% (0.18 1.0 0.02 0.02) = 0.039% HN ALA 103 - HA GLU- 18 5.000% * 0.0384% (0.17 1.0 0.02 0.02) = 0.038% HN GLY 71 - HA ASP- 82 5.000% * 0.0337% (0.15 1.0 0.02 0.02) = 0.034% HN GLY 71 - HA GLU- 18 5.000% * 0.0304% (0.14 1.0 0.02 0.02) = 0.030% HN GLU- 50 - HA ASP- 82 5.000% * 0.0181% (0.08 1.0 0.02 0.02) = 0.018% HN GLU- 50 - HA GLU- 18 5.000% * 0.0163% (0.07 1.0 0.02 0.02) = 0.016% Peak 1007 (8.07, 4.22, 56.74 ppm): 7 chemical-shift based assignments, quality = 0.39, support = 1.23, residual support = 1.63: HN ASN 15 - HA GLU- 12 14.286% * 48.3113% (0.46 1.20 1.66) = 48.311% kept HN ASN 15 - HA LYS+ 108 14.286% * 44.4702% (0.36 1.39 1.87) = 44.470% kept HN ASN 15 - HA GLU- 107 14.286% * 6.0475% (0.12 0.58 0.02) = 6.047% kept HN ASN 15 - HA GLU- 10 14.286% * 0.6452% (0.37 0.02 0.02) = 0.645% HN ASN 15 - HA GLU- 18 14.286% * 0.4066% (0.23 0.02 0.33) = 0.407% HN ASN 15 - HA ASN 76 14.286% * 0.0686% (0.04 0.02 0.02) = 0.069% HN ASN 15 - HA GLU- 56 14.286% * 0.0505% (0.03 0.02 0.02) = 0.051% Peak 1009 (7.35, 4.28, 56.67 ppm): 24 chemical-shift based assignments, quality = 0.272, support = 0.288, residual support = 0.18: HZ PHE 34 - HA ARG+ 84 4.167% * 25.3156% (0.38 0.34 0.12) = 25.316% kept QE PHE 34 - HA ARG+ 84 4.167% * 25.0475% (0.38 0.34 0.12) = 25.047% kept HE22 GLN 102 - HA GLU- 64 4.167% * 13.1357% (0.16 0.42 0.42) = 13.136% kept HE22 GLN 102 - HA GLU- 75 4.167% * 9.4846% (0.12 0.40 0.66) = 9.485% kept QE PHE 34 - HA SER 85 4.167% * 5.1674% (0.12 0.21 0.02) = 5.167% kept HE22 GLN 102 - HA GLU- 107 4.167% * 4.7712% (0.24 0.10 0.02) = 4.771% kept HE22 GLN 102 - HA ASN 76 4.167% * 3.3021% (0.13 0.13 0.02) = 3.302% kept HE22 GLN 102 - HA ARG+ 84 4.167% * 2.2759% (0.59 0.02 0.02) = 2.276% kept HZ PHE 34 - HA SER 85 4.167% * 2.1511% (0.12 0.09 0.02) = 2.151% kept HZ2 TRP 51 - HA SER 85 4.167% * 2.1511% (0.12 0.09 0.02) = 2.151% kept HZ2 TRP 51 - HA ARG+ 84 4.167% * 1.4854% (0.38 0.02 0.02) = 1.485% kept HE22 GLN 102 - HA SER 85 4.167% * 0.7384% (0.19 0.02 0.02) = 0.738% HZ2 TRP 51 - HA GLU- 107 4.167% * 0.5984% (0.15 0.02 0.02) = 0.598% HZ PHE 34 - HA GLU- 107 4.167% * 0.5984% (0.15 0.02 0.02) = 0.598% QE PHE 34 - HA GLU- 107 4.167% * 0.5984% (0.15 0.02 0.02) = 0.598% HZ PHE 34 - HA GLU- 64 4.167% * 0.4124% (0.11 0.02 0.02) = 0.412% QE PHE 34 - HA GLU- 64 4.167% * 0.4124% (0.11 0.02 0.02) = 0.412% HZ2 TRP 51 - HA GLU- 64 4.167% * 0.4124% (0.11 0.02 0.02) = 0.412% QE PHE 34 - HA ASN 76 4.167% * 0.3392% (0.09 0.02 0.02) = 0.339% HZ2 TRP 51 - HA ASN 76 4.167% * 0.3392% (0.09 0.02 0.02) = 0.339% HZ PHE 34 - HA ASN 76 4.167% * 0.3392% (0.09 0.02 0.02) = 0.339% QE PHE 34 - HA GLU- 75 4.167% * 0.3080% (0.08 0.02 0.02) = 0.308% HZ2 TRP 51 - HA GLU- 75 4.167% * 0.3080% (0.08 0.02 0.02) = 0.308% HZ PHE 34 - HA GLU- 75 4.167% * 0.3080% (0.08 0.02 0.02) = 0.308% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1012 (4.80, 4.28, 56.88 ppm): 24 chemical-shift based assignments, quality = 0.404, support = 0.952, residual support = 0.988: HB THR 39 - HA SER 85 4.167% * 25.8265% (0.45 1.34 2.37) = 25.826% kept HA LEU 23 - HA GLU- 75 4.167% * 24.9551% (0.58 1.00 1.32) = 24.955% kept HB THR 39 - HA ARG+ 84 4.167% * 17.2573% (0.43 0.94 0.11) = 17.257% kept HB THR 39 - HA GLU- 75 4.167% * 12.0745% (0.32 0.87 0.14) = 12.075% kept HA LEU 23 - HA GLU- 10 4.167% * 5.2462% (0.12 0.99 0.02) = 5.246% kept HA ASN 15 - HA GLU- 107 4.167% * 3.7996% (0.22 0.40 0.02) = 3.800% kept HA ASN 15 - HA GLU- 75 4.167% * 3.2576% (0.30 0.25 0.17) = 3.258% kept HA ASN 15 - HA GLU- 10 4.167% * 1.7492% (0.06 0.64 0.02) = 1.749% kept HA LEU 23 - HA GLU- 107 4.167% * 1.5998% (0.43 0.09 0.02) = 1.600% kept HA LEU 23 - HA SER 85 4.167% * 0.6906% (0.80 0.02 0.02) = 0.691% HA LEU 23 - HA ARG+ 84 4.167% * 0.6604% (0.77 0.02 0.02) = 0.660% HA LEU 23 - HA GLU- 64 4.167% * 0.5626% (0.65 0.02 0.02) = 0.563% HA ASN 15 - HA SER 85 4.167% * 0.3554% (0.41 0.02 0.02) = 0.355% HA ASN 15 - HA ARG+ 84 4.167% * 0.3398% (0.39 0.02 0.02) = 0.340% HB THR 39 - HA GLU- 64 4.167% * 0.3129% (0.36 0.02 0.02) = 0.313% HA ASN 15 - HA GLU- 64 4.167% * 0.2895% (0.34 0.02 0.02) = 0.289% HA LEU 23 - HA GLU- 56 4.167% * 0.2592% (0.30 0.02 0.02) = 0.259% HB THR 39 - HA GLU- 107 4.167% * 0.2058% (0.24 0.02 0.02) = 0.206% HB THR 39 - HA GLU- 56 4.167% * 0.1442% (0.17 0.02 0.02) = 0.144% HA ASN 15 - HA GLU- 56 4.167% * 0.1334% (0.15 0.02 0.02) = 0.133% HA LEU 23 - HA LYS+ 108 4.167% * 0.1069% (0.12 0.02 0.02) = 0.107% HB THR 39 - HA LYS+ 108 4.167% * 0.0594% (0.07 0.02 0.02) = 0.059% HB THR 39 - HA GLU- 10 4.167% * 0.0590% (0.07 0.02 0.02) = 0.059% HA ASN 15 - HA LYS+ 108 4.167% * 0.0550% (0.06 0.02 1.87) = 0.055% Peak 1014 (4.44, 4.25, 56.86 ppm): 55 chemical-shift based assignments, quality = 0.275, support = 0.626, residual support = 0.543: O HA PRO 86 - HA SER 85 1.818% * 39.3040% (0.06 10.0 1.00 1.32) = 39.304% kept HB THR 24 - HA GLU- 10 1.818% * 19.9097% (0.90 1.0 0.35 0.02) = 19.910% kept HA HIS+ 14 - HA GLU- 12 1.818% * 8.7725% (0.12 1.0 1.17 0.21) = 8.773% kept HA HIS+ 14 - HA LYS+ 108 1.818% * 7.9030% (0.29 1.0 0.44 0.02) = 7.903% kept HA LYS+ 66 - HA GLU- 64 1.818% * 4.6393% (0.31 1.0 0.24 0.02) = 4.639% kept HA GLU- 50 - HA SER 85 1.818% * 1.6506% (0.13 1.0 0.20 0.02) = 1.651% kept HA GLU- 50 - HA GLU- 18 1.818% * 1.6267% (0.05 1.0 0.52 0.02) = 1.627% kept HB THR 24 - HA LYS+ 108 1.818% * 1.1460% (0.91 1.0 0.02 0.02) = 1.146% kept HA PRO 86 - HA ARG+ 84 1.818% * 1.0907% (0.06 1.0 0.27 0.02) = 1.091% kept HB THR 24 - HA GLU- 107 1.818% * 1.0698% (0.85 1.0 0.02 0.02) = 1.070% kept HB THR 24 - HA GLU- 64 1.818% * 0.7289% (0.58 1.0 0.02 0.02) = 0.729% HB THR 24 - HA GLU- 75 1.818% * 0.6940% (0.55 1.0 0.02 0.63) = 0.694% HB THR 24 - HA GLU- 56 1.818% * 0.6231% (0.49 1.0 0.02 0.02) = 0.623% HA LYS+ 66 - HA LYS+ 108 1.818% * 0.6151% (0.49 1.0 0.02 0.02) = 0.615% HA LYS+ 66 - HA GLU- 10 1.818% * 0.6122% (0.48 1.0 0.02 0.02) = 0.612% HA LYS+ 66 - HA GLU- 107 1.818% * 0.5742% (0.45 1.0 0.02 0.02) = 0.574% HA HIS+ 14 - HA GLU- 18 1.818% * 0.5616% (0.04 1.0 0.24 0.15) = 0.562% HA GLU- 50 - HA LYS+ 108 1.818% * 0.4807% (0.38 1.0 0.02 0.02) = 0.481% HA GLU- 50 - HA GLU- 10 1.818% * 0.4783% (0.38 1.0 0.02 0.02) = 0.478% HB THR 24 - HA GLU- 12 1.818% * 0.4752% (0.38 1.0 0.02 0.02) = 0.475% HA GLU- 50 - HA GLU- 107 1.818% * 0.4487% (0.36 1.0 0.02 0.02) = 0.449% HB THR 24 - HA ARG+ 84 1.818% * 0.4049% (0.32 1.0 0.02 0.02) = 0.405% HB THR 24 - HA SER 85 1.818% * 0.3893% (0.31 1.0 0.02 0.02) = 0.389% HA LYS+ 66 - HA GLU- 75 1.818% * 0.3725% (0.29 1.0 0.02 0.02) = 0.372% HA HIS+ 14 - HA GLU- 10 1.818% * 0.3591% (0.28 1.0 0.02 0.02) = 0.359% HA HIS+ 14 - HA GLU- 107 1.818% * 0.3369% (0.27 1.0 0.02 0.02) = 0.337% HA LYS+ 66 - HA GLU- 56 1.818% * 0.3344% (0.26 1.0 0.02 0.02) = 0.334% HA GLU- 50 - HA GLU- 64 1.818% * 0.3057% (0.24 1.0 0.02 0.02) = 0.306% HA GLU- 50 - HA GLU- 75 1.818% * 0.2911% (0.23 1.0 0.02 0.02) = 0.291% HA GLU- 50 - HA GLU- 56 1.818% * 0.2613% (0.21 1.0 0.02 0.02) = 0.261% HA LYS+ 66 - HA GLU- 12 1.818% * 0.2551% (0.20 1.0 0.02 0.02) = 0.255% HA PRO 86 - HA LYS+ 108 1.818% * 0.2314% (0.18 1.0 0.02 0.02) = 0.231% HA PRO 86 - HA GLU- 10 1.818% * 0.2303% (0.18 1.0 0.02 0.02) = 0.230% HA HIS+ 14 - HA GLU- 64 1.818% * 0.2295% (0.18 1.0 0.02 0.02) = 0.230% HA HIS+ 14 - HA GLU- 75 1.818% * 0.2185% (0.17 1.0 0.02 0.02) = 0.219% HA LYS+ 66 - HA ARG+ 84 1.818% * 0.2173% (0.17 1.0 0.02 0.02) = 0.217% HA PRO 86 - HA GLU- 107 1.818% * 0.2160% (0.17 1.0 0.02 0.02) = 0.216% HA LYS+ 66 - HA SER 85 1.818% * 0.2090% (0.17 1.0 0.02 0.02) = 0.209% HA GLU- 50 - HA GLU- 12 1.818% * 0.1993% (0.16 1.0 0.02 0.02) = 0.199% HA HIS+ 14 - HA GLU- 56 1.818% * 0.1962% (0.16 1.0 0.02 0.02) = 0.196% HA GLU- 50 - HA ARG+ 84 1.818% * 0.1698% (0.13 1.0 0.02 0.02) = 0.170% HB THR 24 - HA GLU- 18 1.818% * 0.1480% (0.12 1.0 0.02 0.02) = 0.148% HA PRO 86 - HA GLU- 64 1.818% * 0.1472% (0.12 1.0 0.02 2.89) = 0.147% HA PRO 86 - HA GLU- 75 1.818% * 0.1401% (0.11 1.0 0.02 1.98) = 0.140% HA HIS+ 14 - HA ARG+ 84 1.818% * 0.1275% (0.10 1.0 0.02 0.02) = 0.128% HA PRO 86 - HA GLU- 56 1.818% * 0.1258% (0.10 1.0 0.02 0.02) = 0.126% HA HIS+ 14 - HA SER 85 1.818% * 0.1226% (0.10 1.0 0.02 0.02) = 0.123% HA PRO 86 - HA GLU- 12 1.818% * 0.0959% (0.08 1.0 0.02 0.02) = 0.096% HA LYS+ 66 - HA GLU- 18 1.818% * 0.0794% (0.06 1.0 0.02 0.02) = 0.079% HB THR 24 - HA ASP- 82 1.818% * 0.0614% (0.05 1.0 0.02 0.02) = 0.061% HA LYS+ 66 - HA ASP- 82 1.818% * 0.0330% (0.03 1.0 0.02 0.44) = 0.033% HA PRO 86 - HA GLU- 18 1.818% * 0.0299% (0.02 1.0 0.02 0.02) = 0.030% HA GLU- 50 - HA ASP- 82 1.818% * 0.0258% (0.02 1.0 0.02 0.02) = 0.026% HA HIS+ 14 - HA ASP- 82 1.818% * 0.0193% (0.02 1.0 0.02 0.02) = 0.019% HA PRO 86 - HA ASP- 82 1.818% * 0.0124% (0.01 1.0 0.02 0.02) = 0.012% Peak 1021 (4.26, 4.26, 56.70 ppm): 9 diagonal assignments: HA GLU- 107 - HA GLU- 107 (0.73) kept HA ARG+ 84 - HA ARG+ 84 (0.56) 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): 5 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 HA GLU- 18 - HA GLU- 18 (0.12) kept Peak 1051 (1.99, 4.25, 56.88 ppm): 81 chemical-shift based assignments, quality = 0.395, support = 1.7, residual support = 7.09: O HB2 LYS+ 108 - HA LYS+ 108 1.235% * 34.9685% (0.65 10.0 1.00 1.93 12.87) = 34.968% kept O T HB3 GLU- 107 - HA GLU- 107 1.235% * 14.2649% (0.26 10.0 10.00 2.31 2.64) = 14.265% kept T HB3 GLU- 107 - HA LYS+ 108 1.235% * 11.2167% (0.20 1.0 10.00 2.02 8.47) = 11.217% kept O T HB3 GLU- 75 - HA GLU- 75 1.235% * 8.8288% (0.16 10.0 10.00 3.22 10.58) = 8.829% kept T HB2 HIS+ 14 - HA GLU- 12 1.235% * 4.8094% (0.14 1.0 10.00 1.27 0.21) = 4.809% kept T HB2 HIS+ 14 - HA GLU- 10 1.235% * 4.3092% (0.47 1.0 10.00 0.33 0.02) = 4.309% kept T HB2 HIS+ 14 - HA LYS+ 108 1.235% * 3.8290% (0.47 1.0 10.00 0.29 0.02) = 3.829% kept HB2 LYS+ 108 - HA GLU- 107 1.235% * 3.7557% (0.83 1.0 1.00 1.63 8.47) = 3.756% kept T HB VAL 73 - HA GLU- 56 1.235% * 2.5149% (0.21 1.0 10.00 0.43 0.02) = 2.515% kept T HB3 GLU- 75 - HA GLU- 56 1.235% * 2.1101% (0.13 1.0 10.00 0.59 0.02) = 2.110% kept T HB3 GLU- 107 - HA GLU- 64 1.235% * 1.9466% (0.23 1.0 10.00 0.31 0.02) = 1.947% kept T HB3 GLU- 75 - HA GLU- 64 1.235% * 1.5789% (0.17 1.0 10.00 0.34 0.02) = 1.579% kept T HB3 GLU- 75 - HA GLU- 10 1.235% * 1.1891% (0.15 1.0 10.00 0.29 0.02) = 1.189% kept T HB2 HIS+ 14 - HA GLU- 107 1.235% * 0.3319% (0.60 1.0 10.00 0.02 0.02) = 0.332% T HB2 HIS+ 14 - HA GLU- 64 1.235% * 0.2909% (0.52 1.0 10.00 0.02 0.02) = 0.291% T HB2 HIS+ 14 - HA GLU- 75 1.235% * 0.2755% (0.50 1.0 10.00 0.02 0.02) = 0.275% T HB2 GLU- 18 - HA GLU- 107 1.235% * 0.2699% (0.49 1.0 10.00 0.02 0.02) = 0.270% HB VAL 73 - HA GLU- 10 1.235% * 0.2384% (0.25 1.0 1.00 0.35 0.02) = 0.238% T HB2 GLU- 18 - HA GLU- 64 1.235% * 0.2366% (0.43 1.0 10.00 0.02 0.02) = 0.237% T HB2 GLU- 18 - HA GLU- 75 1.235% * 0.2240% (0.40 1.0 10.00 0.02 0.02) = 0.224% T HB2 HIS+ 14 - HA GLU- 56 1.235% * 0.2229% (0.40 1.0 10.00 0.02 0.02) = 0.223% T HB2 GLU- 18 - HA GLU- 56 1.235% * 0.1813% (0.33 1.0 10.00 0.02 0.02) = 0.181% T HB VAL 73 - HA GLU- 107 1.235% * 0.1750% (0.32 1.0 10.00 0.02 0.02) = 0.175% T HB2 GLU- 18 - HA SER 85 1.235% * 0.1557% (0.28 1.0 10.00 0.02 0.74) = 0.156% T HB VAL 73 - HA GLU- 64 1.235% * 0.1534% (0.28 1.0 10.00 0.02 0.02) = 0.153% T HB2 GLU- 18 - HA ARG+ 84 1.235% * 0.1464% (0.26 1.0 10.00 0.02 1.52) = 0.146% T HB VAL 73 - HA GLU- 75 1.235% * 0.1452% (0.26 1.0 10.00 0.02 0.02) = 0.145% T HB3 GLU- 107 - HA GLU- 75 1.235% * 0.1184% (0.21 1.0 10.00 0.02 0.02) = 0.118% T HB3 GLU- 107 - HA GLU- 10 1.235% * 0.1114% (0.20 1.0 10.00 0.02 0.02) = 0.111% T HB3 GLU- 75 - HA GLU- 107 1.235% * 0.1064% (0.19 1.0 10.00 0.02 0.02) = 0.106% T HB VAL 73 - HA SER 85 1.235% * 0.1009% (0.18 1.0 10.00 0.02 0.02) = 0.101% T HB3 GLU- 107 - HA GLU- 56 1.235% * 0.0958% (0.17 1.0 10.00 0.02 0.02) = 0.096% T HB VAL 73 - HA ARG+ 84 1.235% * 0.0949% (0.17 1.0 10.00 0.02 0.02) = 0.095% T HB3 GLU- 75 - HA LYS+ 108 1.235% * 0.0836% (0.15 1.0 10.00 0.02 0.02) = 0.084% T HB3 GLU- 75 - HA SER 85 1.235% * 0.0614% (0.11 1.0 10.00 0.02 0.13) = 0.061% T HB3 GLU- 75 - HA ARG+ 84 1.235% * 0.0577% (0.10 1.0 10.00 0.02 0.02) = 0.058% HB2 LYS+ 108 - HA GLU- 64 1.235% * 0.0403% (0.73 1.0 1.00 0.02 0.02) = 0.040% HB2 LYS+ 108 - HA GLU- 75 1.235% * 0.0382% (0.69 1.0 1.00 0.02 0.02) = 0.038% HG2 PRO 86 - HA GLU- 107 1.235% * 0.0373% (0.67 1.0 1.00 0.02 0.02) = 0.037% HB2 LYS+ 108 - HA GLU- 10 1.235% * 0.0359% (0.65 1.0 1.00 0.02 0.02) = 0.036% HG2 PRO 86 - HA GLU- 64 1.235% * 0.0327% (0.59 1.0 1.00 0.02 2.89) = 0.033% T HB3 GLU- 107 - HA GLU- 12 1.235% * 0.0326% (0.06 1.0 10.00 0.02 0.02) = 0.033% HG2 PRO 86 - HA GLU- 75 1.235% * 0.0309% (0.56 1.0 1.00 0.02 1.98) = 0.031% HB2 LYS+ 108 - HA GLU- 56 1.235% * 0.0309% (0.56 1.0 1.00 0.02 0.02) = 0.031% HG2 PRO 86 - HA LYS+ 108 1.235% * 0.0293% (0.53 1.0 1.00 0.02 0.02) = 0.029% HG2 PRO 86 - HA GLU- 10 1.235% * 0.0291% (0.52 1.0 1.00 0.02 0.02) = 0.029% HB2 LYS+ 108 - HA SER 85 1.235% * 0.0265% (0.48 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 86 - HA GLU- 56 1.235% * 0.0250% (0.45 1.0 1.00 0.02 0.02) = 0.025% HB2 LYS+ 108 - HA ARG+ 84 1.235% * 0.0250% (0.45 1.0 1.00 0.02 0.02) = 0.025% T HB3 GLU- 75 - HA GLU- 12 1.235% * 0.0243% (0.04 1.0 10.00 0.02 0.02) = 0.024% HG2 PRO 86 - HA SER 85 1.235% * 0.0215% (0.39 1.0 1.00 0.02 1.32) = 0.021% HB2 GLU- 18 - HA LYS+ 108 1.235% * 0.0212% (0.38 1.0 1.00 0.02 0.02) = 0.021% HG3 PRO 104 - HA GLU- 107 1.235% * 0.0211% (0.38 1.0 1.00 0.02 0.02) = 0.021% HB2 GLU- 18 - HA GLU- 10 1.235% * 0.0211% (0.38 1.0 1.00 0.02 0.02) = 0.021% HG2 PRO 86 - HA ARG+ 84 1.235% * 0.0202% (0.36 1.0 1.00 0.02 0.02) = 0.020% HB2 HIS+ 14 - HA SER 85 1.235% * 0.0191% (0.35 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 104 - HA GLU- 64 1.235% * 0.0185% (0.33 1.0 1.00 0.02 0.02) = 0.018% HB2 HIS+ 14 - HA ARG+ 84 1.235% * 0.0180% (0.32 1.0 1.00 0.02 0.02) = 0.018% HG3 PRO 104 - HA GLU- 75 1.235% * 0.0175% (0.32 1.0 1.00 0.02 0.02) = 0.018% HG3 PRO 104 - HA LYS+ 108 1.235% * 0.0166% (0.30 1.0 1.00 0.02 0.02) = 0.017% HG3 PRO 104 - HA GLU- 10 1.235% * 0.0165% (0.30 1.0 1.00 0.02 0.02) = 0.016% HG3 PRO 104 - HA GLU- 56 1.235% * 0.0142% (0.26 1.0 1.00 0.02 0.02) = 0.014% HB VAL 73 - HA LYS+ 108 1.235% * 0.0138% (0.25 1.0 1.00 0.02 0.02) = 0.014% HG3 PRO 104 - HA SER 85 1.235% * 0.0122% (0.22 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 104 - HA ARG+ 84 1.235% * 0.0114% (0.21 1.0 1.00 0.02 0.02) = 0.011% HB2 LYS+ 108 - HA GLU- 12 1.235% * 0.0105% (0.19 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 86 - HA GLU- 12 1.235% * 0.0085% (0.15 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 107 - HA SER 85 1.235% * 0.0082% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB3 PRO 31 - HA GLU- 107 1.235% * 0.0079% (0.14 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 107 - HA ARG+ 84 1.235% * 0.0077% (0.14 1.0 1.00 0.02 0.02) = 0.008% HB3 PRO 31 - HA GLU- 64 1.235% * 0.0069% (0.13 1.0 1.00 0.02 0.02) = 0.007% HB3 PRO 31 - HA GLU- 75 1.235% * 0.0066% (0.12 1.0 1.00 0.02 0.02) = 0.007% HB3 PRO 31 - HA LYS+ 108 1.235% * 0.0062% (0.11 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 31 - HA GLU- 10 1.235% * 0.0062% (0.11 1.0 1.00 0.02 0.02) = 0.006% HB2 GLU- 18 - HA GLU- 12 1.235% * 0.0062% (0.11 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 31 - HA GLU- 56 1.235% * 0.0053% (0.10 1.0 1.00 0.02 0.02) = 0.005% HG3 PRO 104 - HA GLU- 12 1.235% * 0.0048% (0.09 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 31 - HA SER 85 1.235% * 0.0046% (0.08 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 31 - HA ARG+ 84 1.235% * 0.0043% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB VAL 73 - HA GLU- 12 1.235% * 0.0040% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB3 PRO 31 - HA GLU- 12 1.235% * 0.0018% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 1052 (1.96, 4.22, 56.81 ppm): 64 chemical-shift based assignments, quality = 0.245, support = 2.02, residual support = 9.43: O T HB2 GLU- 10 - HA GLU- 10 1.563% * 38.1466% (0.15 10.0 10.00 3.08 14.46) = 38.147% kept O HB2 LYS+ 108 - HA LYS+ 108 1.563% * 29.2008% (0.12 10.0 1.00 1.93 12.87) = 29.201% kept HB VAL 13 - HA GLU- 12 1.563% * 16.3190% (0.84 1.0 1.00 1.54 0.94) = 16.319% kept T HB VAL 73 - HA GLU- 56 1.563% * 2.9111% (0.05 1.0 10.00 0.43 0.02) = 2.911% kept T HB2 GLU- 75 - HA GLU- 56 1.563% * 2.1947% (0.04 1.0 10.00 0.45 0.02) = 2.195% kept HB VAL 73 - HA GLU- 10 1.563% * 1.9379% (0.44 1.0 1.00 0.35 0.02) = 1.938% kept T HB2 GLU- 75 - HA GLU- 12 1.563% * 1.1243% (0.44 1.0 10.00 0.02 0.02) = 1.124% kept T HB2 GLU- 75 - HA ASP- 82 1.563% * 0.9646% (0.09 1.0 10.00 0.08 0.02) = 0.965% HB2 LYS+ 108 - HA GLU- 107 1.563% * 0.8080% (0.04 1.0 1.00 1.63 8.47) = 0.808% T HB2 GLU- 75 - HA GLU- 10 1.563% * 0.8049% (0.32 1.0 10.00 0.02 0.02) = 0.805% T HB2 GLU- 75 - HA LYS+ 108 1.563% * 0.8032% (0.32 1.0 10.00 0.02 0.02) = 0.803% T HB2 GLU- 10 - HA GLU- 12 1.563% * 0.5329% (0.21 1.0 10.00 0.02 0.02) = 0.533% T HB2 GLU- 10 - HA LYS+ 108 1.563% * 0.3807% (0.15 1.0 10.00 0.02 0.02) = 0.381% T HB VAL 73 - HA GLU- 107 1.563% * 0.3632% (0.14 1.0 10.00 0.02 0.02) = 0.363% T HB2 GLU- 75 - HA GLU- 18 1.563% * 0.2872% (0.11 1.0 10.00 0.02 0.02) = 0.287% T HB2 GLU- 75 - HA GLU- 107 1.563% * 0.2632% (0.10 1.0 10.00 0.02 0.02) = 0.263% HG3 PRO 31 - HA GLU- 12 1.563% * 0.1633% (0.65 1.0 1.00 0.02 0.02) = 0.163% HB VAL 73 - HA GLU- 12 1.563% * 0.1552% (0.61 1.0 1.00 0.02 0.02) = 0.155% HB3 LYS+ 55 - HA GLU- 12 1.563% * 0.1552% (0.61 1.0 1.00 0.02 0.02) = 0.155% HB VAL 13 - HA GLU- 10 1.563% * 0.1516% (0.60 1.0 1.00 0.02 0.02) = 0.152% HB VAL 13 - HA LYS+ 108 1.563% * 0.1513% (0.60 1.0 1.00 0.02 0.02) = 0.151% HG3 PRO 104 - HA GLU- 12 1.563% * 0.1382% (0.55 1.0 1.00 0.02 0.02) = 0.138% T HB2 GLU- 10 - HA GLU- 18 1.563% * 0.1361% (0.05 1.0 10.00 0.02 0.02) = 0.136% T HB2 GLU- 10 - HA GLU- 107 1.563% * 0.1247% (0.05 1.0 10.00 0.02 0.02) = 0.125% HG3 PRO 31 - HA GLU- 10 1.563% * 0.1169% (0.46 1.0 1.00 0.02 0.02) = 0.117% HG3 PRO 31 - HA LYS+ 108 1.563% * 0.1167% (0.46 1.0 1.00 0.02 0.02) = 0.117% T HB2 GLU- 10 - HA ASP- 82 1.563% * 0.1119% (0.04 1.0 10.00 0.02 0.02) = 0.112% HB3 LYS+ 55 - HA GLU- 10 1.563% * 0.1111% (0.44 1.0 1.00 0.02 0.02) = 0.111% HB3 LYS+ 55 - HA LYS+ 108 1.563% * 0.1109% (0.44 1.0 1.00 0.02 0.02) = 0.111% HB VAL 73 - HA LYS+ 108 1.563% * 0.1109% (0.44 1.0 1.00 0.02 0.02) = 0.111% HG3 PRO 104 - HA GLU- 10 1.563% * 0.0990% (0.39 1.0 1.00 0.02 0.02) = 0.099% HG3 PRO 104 - HA LYS+ 108 1.563% * 0.0988% (0.39 1.0 1.00 0.02 0.02) = 0.099% T HB VAL 73 - HA ASN 76 1.563% * 0.0653% (0.03 1.0 10.00 0.02 0.02) = 0.065% HB VAL 13 - HA GLU- 18 1.563% * 0.0541% (0.21 1.0 1.00 0.02 0.65) = 0.054% HB VAL 13 - HA GLU- 107 1.563% * 0.0496% (0.20 1.0 1.00 0.02 0.02) = 0.050% T HB2 GLU- 75 - HA ASN 76 1.563% * 0.0473% (0.02 1.0 10.00 0.02 0.10) = 0.047% T HB2 GLU- 10 - HA GLU- 56 1.563% * 0.0467% (0.02 1.0 10.00 0.02 0.02) = 0.047% HB VAL 13 - HA ASP- 82 1.563% * 0.0445% (0.18 1.0 1.00 0.02 0.02) = 0.044% HB2 LYS+ 108 - HA GLU- 12 1.563% * 0.0423% (0.17 1.0 1.00 0.02 0.02) = 0.042% HG3 PRO 31 - HA GLU- 18 1.563% * 0.0417% (0.16 1.0 1.00 0.02 0.02) = 0.042% HB VAL 73 - HA GLU- 18 1.563% * 0.0396% (0.16 1.0 1.00 0.02 0.16) = 0.040% HB3 LYS+ 55 - HA GLU- 18 1.563% * 0.0396% (0.16 1.0 1.00 0.02 0.10) = 0.040% HG3 PRO 31 - HA GLU- 107 1.563% * 0.0382% (0.15 1.0 1.00 0.02 0.02) = 0.038% HB3 LYS+ 55 - HA GLU- 107 1.563% * 0.0363% (0.14 1.0 1.00 0.02 0.02) = 0.036% HG3 PRO 104 - HA GLU- 18 1.563% * 0.0353% (0.14 1.0 1.00 0.02 0.02) = 0.035% HG3 PRO 31 - HA ASP- 82 1.563% * 0.0343% (0.14 1.0 1.00 0.02 0.02) = 0.034% HB3 LYS+ 55 - HA ASP- 82 1.563% * 0.0326% (0.13 1.0 1.00 0.02 0.02) = 0.033% HB VAL 73 - HA ASP- 82 1.563% * 0.0326% (0.13 1.0 1.00 0.02 0.02) = 0.033% HG3 PRO 104 - HA GLU- 107 1.563% * 0.0324% (0.13 1.0 1.00 0.02 0.02) = 0.032% HB2 LYS+ 108 - HA GLU- 10 1.563% * 0.0303% (0.12 1.0 1.00 0.02 0.02) = 0.030% HG3 PRO 104 - HA ASP- 82 1.563% * 0.0290% (0.11 1.0 1.00 0.02 0.02) = 0.029% T HB2 GLU- 10 - HA ASN 76 1.563% * 0.0224% (0.01 1.0 10.00 0.02 0.02) = 0.022% HB VAL 13 - HA GLU- 56 1.563% * 0.0186% (0.07 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 31 - HA GLU- 56 1.563% * 0.0143% (0.06 1.0 1.00 0.02 0.02) = 0.014% HB3 LYS+ 55 - HA GLU- 56 1.563% * 0.0136% (0.05 1.0 1.00 0.02 6.58) = 0.014% HG3 PRO 104 - HA GLU- 56 1.563% * 0.0121% (0.05 1.0 1.00 0.02 0.02) = 0.012% HB2 LYS+ 108 - HA GLU- 18 1.563% * 0.0108% (0.04 1.0 1.00 0.02 0.02) = 0.011% HB VAL 13 - HA ASN 76 1.563% * 0.0089% (0.04 1.0 1.00 0.02 0.02) = 0.009% HB2 LYS+ 108 - HA ASP- 82 1.563% * 0.0089% (0.04 1.0 1.00 0.02 0.02) = 0.009% HG3 PRO 31 - HA ASN 76 1.563% * 0.0069% (0.03 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 55 - HA ASN 76 1.563% * 0.0065% (0.03 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 104 - HA ASN 76 1.563% * 0.0058% (0.02 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 108 - HA GLU- 56 1.563% * 0.0037% (0.01 1.0 1.00 0.02 0.02) = 0.004% HB2 LYS+ 108 - HA ASN 76 1.563% * 0.0018% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 1053 (1.40, 4.21, 56.79 ppm): 77 chemical-shift based assignments, quality = 0.399, support = 0.455, residual support = 0.0592: HG13 ILE 100 - HA LYS+ 108 1.299% * 29.0343% (0.46 0.88 0.02) = 29.034% kept QB ALA 93 - HA GLU- 12 1.299% * 22.3372% (0.77 0.41 0.13) = 22.337% kept QB ALA 37 - HA LYS+ 108 1.299% * 9.2160% (0.38 0.34 0.02) = 9.216% kept QB ALA 93 - HA ASP- 82 1.299% * 6.4289% (0.17 0.54 0.16) = 6.429% kept QG2 THR 38 - HA LYS+ 108 1.299% * 4.1042% (0.11 0.54 0.02) = 4.104% kept HG13 ILE 100 - HA GLU- 18 1.299% * 1.8728% (0.20 0.13 0.53) = 1.873% kept QB ALA 37 - HA GLU- 107 1.299% * 1.8583% (0.11 0.24 0.02) = 1.858% kept HD3 LYS+ 44 - HA GLU- 18 1.299% * 1.8288% (0.08 0.33 0.02) = 1.829% kept QB ALA 91 - HA GLU- 12 1.299% * 1.8173% (0.22 0.12 0.02) = 1.817% kept HG13 ILE 100 - HA ASP- 82 1.299% * 1.8062% (0.17 0.15 0.02) = 1.806% kept QB ALA 93 - HA GLU- 18 1.299% * 1.1304% (0.20 0.08 0.02) = 1.130% kept HG13 ILE 100 - HA GLU- 12 1.299% * 1.0914% (0.77 0.02 0.02) = 1.091% kept HD3 LYS+ 20 - HA GLU- 12 1.299% * 1.0698% (0.75 0.02 0.02) = 1.070% kept HG LEU 67 - HA GLU- 12 1.299% * 1.0698% (0.75 0.02 0.02) = 1.070% kept HD3 LYS+ 44 - HA LYS+ 108 1.299% * 1.0502% (0.18 0.08 0.02) = 1.050% kept QB ALA 37 - HA GLU- 12 1.299% * 0.9056% (0.64 0.02 0.02) = 0.906% HG13 ILE 100 - HA GLU- 10 1.299% * 0.6629% (0.47 0.02 0.02) = 0.663% QB ALA 93 - HA GLU- 10 1.299% * 0.6629% (0.47 0.02 0.02) = 0.663% QB ALA 93 - HA LYS+ 108 1.299% * 0.6604% (0.46 0.02 0.02) = 0.660% HD3 LYS+ 20 - HA GLU- 10 1.299% * 0.6498% (0.46 0.02 0.02) = 0.650% HG LEU 67 - HA GLU- 10 1.299% * 0.6498% (0.46 0.02 0.02) = 0.650% HD3 LYS+ 20 - HA LYS+ 108 1.299% * 0.6473% (0.45 0.02 0.02) = 0.647% HG LEU 67 - HA LYS+ 108 1.299% * 0.6473% (0.45 0.02 0.02) = 0.647% HG13 ILE 68 - HA GLU- 12 1.299% * 0.6403% (0.45 0.02 0.02) = 0.640% QB ALA 37 - HA GLU- 10 1.299% * 0.5501% (0.39 0.02 0.12) = 0.550% QG2 THR 39 - HA GLU- 12 1.299% * 0.4245% (0.30 0.02 0.02) = 0.424% HD3 LYS+ 44 - HA GLU- 12 1.299% * 0.4245% (0.30 0.02 0.02) = 0.424% HG13 ILE 68 - HA GLU- 10 1.299% * 0.3889% (0.27 0.02 0.02) = 0.389% HG13 ILE 68 - HA LYS+ 108 1.299% * 0.3874% (0.27 0.02 0.02) = 0.387% HD3 LYS+ 20 - HA GLU- 18 1.299% * 0.2832% (0.20 0.02 0.02) = 0.283% HG LEU 67 - HA GLU- 18 1.299% * 0.2832% (0.20 0.02 0.02) = 0.283% QG2 THR 39 - HA GLU- 10 1.299% * 0.2578% (0.18 0.02 0.02) = 0.258% HD3 LYS+ 44 - HA GLU- 10 1.299% * 0.2578% (0.18 0.02 0.02) = 0.258% QG2 THR 39 - HA LYS+ 108 1.299% * 0.2568% (0.18 0.02 0.02) = 0.257% HG2 LYS+ 78 - HA GLU- 12 1.299% * 0.2518% (0.18 0.02 0.02) = 0.252% QG2 THR 38 - HA GLU- 12 1.299% * 0.2518% (0.18 0.02 0.02) = 0.252% QB ALA 37 - HA GLU- 18 1.299% * 0.2397% (0.17 0.02 0.02) = 0.240% HD3 LYS+ 20 - HA ASP- 82 1.299% * 0.2332% (0.16 0.02 0.02) = 0.233% HG LEU 67 - HA ASP- 82 1.299% * 0.2332% (0.16 0.02 0.02) = 0.233% QB ALA 37 - HA ASP- 82 1.299% * 0.1974% (0.14 0.02 0.02) = 0.197% QB ALA 91 - HA GLU- 10 1.299% * 0.1910% (0.13 0.02 0.02) = 0.191% QB ALA 91 - HA LYS+ 108 1.299% * 0.1903% (0.13 0.02 0.02) = 0.190% QB ALA 93 - HA GLU- 107 1.299% * 0.1860% (0.13 0.02 0.02) = 0.186% HG13 ILE 100 - HA GLU- 107 1.299% * 0.1860% (0.13 0.02 0.02) = 0.186% HD3 LYS+ 20 - HA GLU- 107 1.299% * 0.1823% (0.13 0.02 0.02) = 0.182% HG LEU 67 - HA GLU- 107 1.299% * 0.1823% (0.13 0.02 0.02) = 0.182% HG13 ILE 68 - HA GLU- 18 1.299% * 0.1695% (0.12 0.02 0.02) = 0.169% HG2 LYS+ 78 - HA GLU- 10 1.299% * 0.1529% (0.11 0.02 0.02) = 0.153% QG2 THR 38 - HA GLU- 10 1.299% * 0.1529% (0.11 0.02 0.02) = 0.153% HG2 LYS+ 78 - HA LYS+ 108 1.299% * 0.1524% (0.11 0.02 0.02) = 0.152% HG13 ILE 68 - HA ASP- 82 1.299% * 0.1396% (0.10 0.02 0.02) = 0.140% QG2 THR 39 - HA GLU- 18 1.299% * 0.1124% (0.08 0.02 1.99) = 0.112% HG13 ILE 68 - HA GLU- 107 1.299% * 0.1091% (0.08 0.02 0.02) = 0.109% QG2 THR 39 - HA ASP- 82 1.299% * 0.0925% (0.06 0.02 0.02) = 0.093% HD3 LYS+ 44 - HA ASP- 82 1.299% * 0.0925% (0.06 0.02 0.02) = 0.093% QB ALA 91 - HA GLU- 18 1.299% * 0.0832% (0.06 0.02 0.02) = 0.083% QG2 THR 39 - HA GLU- 107 1.299% * 0.0723% (0.05 0.02 0.02) = 0.072% HD3 LYS+ 44 - HA GLU- 107 1.299% * 0.0723% (0.05 0.02 0.02) = 0.072% QB ALA 91 - HA ASP- 82 1.299% * 0.0686% (0.05 0.02 0.02) = 0.069% HG2 LYS+ 78 - HA GLU- 18 1.299% * 0.0667% (0.05 0.02 0.02) = 0.067% QG2 THR 38 - HA GLU- 18 1.299% * 0.0667% (0.05 0.02 0.02) = 0.067% HG2 LYS+ 78 - HA ASP- 82 1.299% * 0.0549% (0.04 0.02 1.18) = 0.055% QG2 THR 38 - HA ASP- 82 1.299% * 0.0549% (0.04 0.02 0.02) = 0.055% QB ALA 91 - HA GLU- 107 1.299% * 0.0536% (0.04 0.02 0.02) = 0.054% HG2 LYS+ 78 - HA GLU- 107 1.299% * 0.0429% (0.03 0.02 0.02) = 0.043% QG2 THR 38 - HA GLU- 107 1.299% * 0.0429% (0.03 0.02 0.02) = 0.043% QB ALA 93 - HA ASN 76 1.299% * 0.0385% (0.03 0.02 0.02) = 0.039% HG13 ILE 100 - HA ASN 76 1.299% * 0.0385% (0.03 0.02 0.02) = 0.039% HD3 LYS+ 20 - HA ASN 76 1.299% * 0.0377% (0.03 0.02 0.02) = 0.038% HG LEU 67 - HA ASN 76 1.299% * 0.0377% (0.03 0.02 0.02) = 0.038% QB ALA 37 - HA ASN 76 1.299% * 0.0319% (0.02 0.02 0.02) = 0.032% HG13 ILE 68 - HA ASN 76 1.299% * 0.0226% (0.02 0.02 0.02) = 0.023% QG2 THR 39 - HA ASN 76 1.299% * 0.0150% (0.01 0.02 0.02) = 0.015% HD3 LYS+ 44 - HA ASN 76 1.299% * 0.0150% (0.01 0.02 0.02) = 0.015% QB ALA 91 - HA ASN 76 1.299% * 0.0111% (0.01 0.02 0.02) = 0.011% HG2 LYS+ 78 - HA ASN 76 1.299% * 0.0089% (0.01 0.02 0.02) = 0.009% QG2 THR 38 - HA ASN 76 1.299% * 0.0089% (0.01 0.02 0.02) = 0.009% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 1054 (0.89, 4.23, 56.68 ppm): 56 chemical-shift based assignments, quality = 0.359, support = 0.769, residual support = 0.34: QG1 VAL 47 - HA GLU- 18 1.786% * 42.8552% (0.47 1.31 0.65) = 42.855% kept QG2 VAL 40 - HA ASN 76 1.786% * 12.6456% (0.17 1.08 0.32) = 12.646% kept QG1 VAL 80 - HA GLU- 18 1.786% * 10.6446% (0.61 0.25 0.02) = 10.645% kept QG2 VAL 40 - HA GLU- 18 1.786% * 10.1296% (0.51 0.28 0.11) = 10.130% kept QD1 LEU 67 - HA GLU- 18 1.786% * 3.8200% (0.42 0.13 0.02) = 3.820% kept QG2 VAL 87 - HA GLU- 75 1.786% * 1.7330% (0.05 0.49 0.02) = 1.733% kept QG2 ILE 100 - HA GLU- 18 1.786% * 1.3839% (0.15 0.13 0.53) = 1.384% kept QG2 VAL 87 - HA ASN 76 1.786% * 1.1527% (0.17 0.10 0.02) = 1.153% kept QG1 VAL 80 - HA GLU- 10 1.786% * 0.9184% (0.66 0.02 0.02) = 0.918% QG1 VAL 80 - HA LYS+ 108 1.786% * 0.9014% (0.64 0.02 0.02) = 0.901% QG2 VAL 87 - HA GLU- 10 1.786% * 0.7671% (0.55 0.02 0.02) = 0.767% QG2 VAL 40 - HA GLU- 10 1.786% * 0.7671% (0.55 0.02 0.02) = 0.767% QG2 VAL 87 - HA LYS+ 108 1.786% * 0.7529% (0.54 0.02 0.02) = 0.753% QG2 VAL 40 - HA LYS+ 108 1.786% * 0.7529% (0.54 0.02 0.02) = 0.753% QG2 VAL 87 - HA GLU- 18 1.786% * 0.7152% (0.51 0.02 0.02) = 0.715% QG1 VAL 47 - HA GLU- 10 1.786% * 0.7019% (0.50 0.02 0.02) = 0.702% QG1 VAL 47 - HA LYS+ 108 1.786% * 0.6889% (0.49 0.02 0.02) = 0.689% QD1 LEU 67 - HA GLU- 10 1.786% * 0.6308% (0.45 0.02 0.02) = 0.631% QD1 LEU 67 - HA LYS+ 108 1.786% * 0.6192% (0.44 0.02 0.02) = 0.619% QG1 VAL 80 - HA GLU- 12 1.786% * 0.5827% (0.42 0.02 0.02) = 0.583% QG2 VAL 40 - HA GLU- 12 1.786% * 0.4867% (0.35 0.02 0.02) = 0.487% QG2 VAL 87 - HA GLU- 12 1.786% * 0.4867% (0.35 0.02 0.02) = 0.487% QG1 VAL 80 - HA GLU- 107 1.786% * 0.4585% (0.33 0.02 0.02) = 0.458% QG1 VAL 47 - HA GLU- 12 1.786% * 0.4453% (0.32 0.02 0.02) = 0.445% QD1 LEU 67 - HA GLU- 12 1.786% * 0.4003% (0.29 0.02 0.02) = 0.400% QG2 VAL 40 - HA GLU- 107 1.786% * 0.3830% (0.27 0.02 0.02) = 0.383% QG2 VAL 87 - HA GLU- 107 1.786% * 0.3830% (0.27 0.02 0.02) = 0.383% QG1 VAL 47 - HA GLU- 107 1.786% * 0.3504% (0.25 0.02 0.02) = 0.350% QD1 LEU 67 - HA GLU- 107 1.786% * 0.3149% (0.23 0.02 0.02) = 0.315% QG1 VAL 80 - HA ASN 76 1.786% * 0.2804% (0.20 0.02 0.02) = 0.280% QG2 ILE 100 - HA GLU- 10 1.786% * 0.2290% (0.16 0.02 0.02) = 0.229% QG2 ILE 100 - HA LYS+ 108 1.786% * 0.2248% (0.16 0.02 0.02) = 0.225% QG1 VAL 47 - HA ASN 76 1.786% * 0.2143% (0.15 0.02 0.02) = 0.214% QD1 LEU 90 - HA GLU- 10 1.786% * 0.2045% (0.15 0.02 0.02) = 0.204% QD1 LEU 90 - HA LYS+ 108 1.786% * 0.2007% (0.14 0.02 0.02) = 0.201% QD1 LEU 67 - HA ASN 76 1.786% * 0.1926% (0.14 0.02 0.02) = 0.193% QD1 LEU 90 - HA GLU- 18 1.786% * 0.1906% (0.14 0.02 0.11) = 0.191% QG2 ILE 100 - HA GLU- 12 1.786% * 0.1453% (0.10 0.02 0.02) = 0.145% QD1 LEU 90 - HA GLU- 12 1.786% * 0.1297% (0.09 0.02 0.02) = 0.130% QG2 ILE 100 - HA GLU- 107 1.786% * 0.1143% (0.08 0.02 0.02) = 0.114% QD1 LEU 90 - HA GLU- 107 1.786% * 0.1021% (0.07 0.02 0.02) = 0.102% QG1 VAL 80 - HA GLU- 64 1.786% * 0.0982% (0.07 0.02 0.02) = 0.098% QG1 VAL 80 - HA GLU- 75 1.786% * 0.0842% (0.06 0.02 0.02) = 0.084% QG2 VAL 40 - HA GLU- 64 1.786% * 0.0820% (0.06 0.02 0.02) = 0.082% QG2 VAL 87 - HA GLU- 64 1.786% * 0.0820% (0.06 0.02 0.02) = 0.082% QG1 VAL 47 - HA GLU- 64 1.786% * 0.0751% (0.05 0.02 0.34) = 0.075% QG2 VAL 40 - HA GLU- 75 1.786% * 0.0703% (0.05 0.02 0.02) = 0.070% QG2 ILE 100 - HA ASN 76 1.786% * 0.0699% (0.05 0.02 0.02) = 0.070% QD1 LEU 67 - HA GLU- 64 1.786% * 0.0675% (0.05 0.02 0.02) = 0.067% QG1 VAL 47 - HA GLU- 75 1.786% * 0.0643% (0.05 0.02 0.21) = 0.064% QD1 LEU 90 - HA ASN 76 1.786% * 0.0624% (0.04 0.02 0.02) = 0.062% QD1 LEU 67 - HA GLU- 75 1.786% * 0.0578% (0.04 0.02 1.73) = 0.058% QG2 ILE 100 - HA GLU- 64 1.786% * 0.0245% (0.02 0.02 0.02) = 0.024% QD1 LEU 90 - HA GLU- 64 1.786% * 0.0219% (0.02 0.02 0.02) = 0.022% QG2 ILE 100 - HA GLU- 75 1.786% * 0.0210% (0.01 0.02 0.02) = 0.021% QD1 LEU 90 - HA GLU- 75 1.786% * 0.0187% (0.01 0.02 1.95) = 0.019% Peak 1056 (8.09, 3.94, 56.35 ppm): 2 chemical-shift based assignments, quality = 0.231, support = 0.193, residual support = 0.126: HN SER 88 - HA LEU 74 50.000% * 94.9135% (0.24 0.20 0.13) = 94.913% kept HN GLY 26 - HA LEU 74 50.000% * 5.0865% (0.13 0.02 0.02) = 5.087% kept Not enough support, support cutoff is 0.30 Peak unassigned. 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): 8 chemical-shift based assignments, quality = 0.581, support = 3.32, residual support = 64.7: O HB2 TRP 51 - HA TRP 51 12.500% * 80.6250% (0.65 10.0 3.87 79.96) = 80.625% kept O HD2 PRO 52 - HA TRP 51 12.500% * 18.9312% (0.28 10.0 1.09 1.08) = 18.931% kept HB3 SER 69 - HA TRP 51 12.500% * 0.0927% (0.75 1.0 0.02 0.02) = 0.093% HA LYS+ 81 - HA TRP 51 12.500% * 0.0858% (0.70 1.0 0.02 0.02) = 0.086% HB3 SER 69 - HA LYS+ 60 12.500% * 0.0836% (0.68 1.0 0.02 0.02) = 0.084% HA LYS+ 81 - HA LYS+ 60 12.500% * 0.0774% (0.63 1.0 0.02 0.02) = 0.077% HB2 TRP 51 - HA LYS+ 60 12.500% * 0.0727% (0.59 1.0 0.02 0.02) = 0.073% HD2 PRO 52 - HA LYS+ 60 12.500% * 0.0315% (0.26 1.0 0.02 0.02) = 0.031% Peak 1090 (3.28, 4.35, 56.42 ppm): 4 chemical-shift based assignments, quality = 0.503, support = 0.19, residual support = 0.303: HD3 ARG+ 53 - HA TRP 51 25.000% * 44.4659% (0.50 0.24 0.02) = 44.466% kept HE3 LYS+ 63 - HA LYS+ 60 25.000% * 37.5470% (0.51 0.20 0.53) = 37.547% kept HE3 LYS+ 63 - HA TRP 51 25.000% * 14.1107% (0.49 0.08 0.67) = 14.111% kept HD3 ARG+ 53 - HA LYS+ 60 25.000% * 3.8765% (0.51 0.02 0.02) = 3.877% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1091 (2.88, 4.24, 56.44 ppm): 18 chemical-shift based assignments, quality = 0.537, support = 0.745, residual support = 0.615: HA1 GLY 58 - HA GLU- 18 5.556% * 46.5593% (0.64 0.80 0.78) = 46.559% kept HA1 GLY 58 - HA ASN 76 5.556% * 38.5772% (0.56 0.75 0.57) = 38.577% kept HA1 GLY 58 - HA ARG+ 84 5.556% * 5.4048% (0.05 1.23 0.56) = 5.405% kept HB3 ASN 57 - HA ASN 76 5.556% * 4.0702% (0.22 0.21 0.02) = 4.070% kept HB3 ASN 57 - HA GLU- 18 5.556% * 3.6249% (0.25 0.16 0.02) = 3.625% kept HE3 LYS+ 81 - HA GLU- 18 5.556% * 0.3579% (0.20 0.02 0.02) = 0.358% HE3 LYS+ 81 - HA ASN 76 5.556% * 0.3150% (0.17 0.02 0.02) = 0.315% HA1 GLY 58 - HA GLU- 10 5.556% * 0.2131% (0.12 0.02 0.02) = 0.213% HA1 GLY 58 - HA LYS+ 108 5.556% * 0.2031% (0.11 0.02 0.02) = 0.203% HA1 GLY 58 - HA GLU- 107 5.556% * 0.1922% (0.11 0.02 0.02) = 0.192% HB3 ASN 57 - HA GLU- 10 5.556% * 0.0820% (0.05 0.02 0.02) = 0.082% HB3 ASN 57 - HA LYS+ 108 5.556% * 0.0781% (0.04 0.02 0.02) = 0.078% HB3 ASN 57 - HA GLU- 107 5.556% * 0.0739% (0.04 0.02 0.02) = 0.074% HE3 LYS+ 81 - HA GLU- 10 5.556% * 0.0656% (0.04 0.02 0.02) = 0.066% HE3 LYS+ 81 - HA LYS+ 108 5.556% * 0.0626% (0.03 0.02 0.02) = 0.063% HE3 LYS+ 81 - HA GLU- 107 5.556% * 0.0592% (0.03 0.02 0.02) = 0.059% HB3 ASN 57 - HA ARG+ 84 5.556% * 0.0338% (0.02 0.02 0.02) = 0.034% HE3 LYS+ 81 - HA ARG+ 84 5.556% * 0.0271% (0.01 0.02 0.56) = 0.027% Peak 1092 (2.48, 4.25, 56.44 ppm): 30 chemical-shift based assignments, quality = 0.574, support = 0.675, residual support = 0.441: HA1 GLY 58 - HA ASN 76 3.333% * 23.8751% (0.83 0.75 0.57) = 23.875% kept HA1 GLY 58 - HA GLU- 18 3.333% * 18.0749% (0.59 0.80 0.78) = 18.075% kept HB VAL 40 - HA ASN 76 3.333% * 16.5460% (0.76 0.57 0.32) = 16.546% kept HG3 GLU- 45 - HA GLU- 18 3.333% * 12.2245% (0.39 0.83 0.58) = 12.224% kept HB VAL 40 - HA GLU- 18 3.333% * 8.6511% (0.55 0.41 0.11) = 8.651% kept HB3 PRO 35 - HA ASN 76 3.333% * 7.2478% (0.43 0.44 0.02) = 7.248% kept HA1 GLY 58 - HA ARG+ 84 3.333% * 4.7884% (0.10 1.23 0.56) = 4.788% kept HB3 PRO 35 - HA GLU- 18 3.333% * 3.6870% (0.31 0.31 0.02) = 3.687% kept HG3 GLU- 45 - HA GLU- 10 3.333% * 2.3092% (0.08 0.76 0.02) = 2.309% kept HG3 PRO 35 - HA ASN 76 3.333% * 0.5020% (0.66 0.02 0.02) = 0.502% HG3 GLU- 45 - HA ASN 76 3.333% * 0.4138% (0.54 0.02 0.02) = 0.414% HG3 PRO 35 - HA GLU- 18 3.333% * 0.3578% (0.47 0.02 0.02) = 0.358% HA1 GLY 58 - HA GLU- 107 3.333% * 0.1158% (0.15 0.02 0.02) = 0.116% HB VAL 40 - HA GLU- 107 3.333% * 0.1070% (0.14 0.02 0.02) = 0.107% HA1 GLY 58 - HA GLU- 10 3.333% * 0.0930% (0.12 0.02 0.02) = 0.093% HG3 PRO 35 - HA GLU- 107 3.333% * 0.0918% (0.12 0.02 0.02) = 0.092% HA1 GLY 58 - HA LYS+ 108 3.333% * 0.0886% (0.12 0.02 0.02) = 0.089% HB VAL 40 - HA GLU- 10 3.333% * 0.0860% (0.11 0.02 0.02) = 0.086% HB VAL 40 - HA LYS+ 108 3.333% * 0.0819% (0.11 0.02 0.02) = 0.082% HG3 GLU- 45 - HA GLU- 107 3.333% * 0.0757% (0.10 0.02 0.02) = 0.076% HG3 PRO 35 - HA GLU- 10 3.333% * 0.0738% (0.10 0.02 0.02) = 0.074% HB VAL 40 - HA ARG+ 84 3.333% * 0.0720% (0.09 0.02 0.12) = 0.072% HG3 PRO 35 - HA LYS+ 108 3.333% * 0.0703% (0.09 0.02 0.02) = 0.070% HG3 PRO 35 - HA ARG+ 84 3.333% * 0.0618% (0.08 0.02 0.02) = 0.062% HB3 PRO 35 - HA GLU- 107 3.333% * 0.0605% (0.08 0.02 0.02) = 0.060% HG3 GLU- 45 - HA LYS+ 108 3.333% * 0.0579% (0.08 0.02 0.02) = 0.058% HG3 GLU- 45 - HA ARG+ 84 3.333% * 0.0509% (0.07 0.02 0.02) = 0.051% HB3 PRO 35 - HA GLU- 10 3.333% * 0.0486% (0.06 0.02 0.02) = 0.049% HB3 PRO 35 - HA LYS+ 108 3.333% * 0.0463% (0.06 0.02 0.02) = 0.046% HB3 PRO 35 - HA ARG+ 84 3.333% * 0.0407% (0.05 0.02 0.02) = 0.041% Peak 1093 (1.79, 4.29, 56.51 ppm): 27 chemical-shift based assignments, quality = 0.208, support = 1.0, residual support = 6.66: O HB3 ARG+ 84 - HA ARG+ 84 3.704% * 43.7275% (0.28 10.0 1.00 1.02 9.90) = 43.727% kept T HB3 LYS+ 108 - HA GLU- 107 3.704% * 24.3839% (0.10 1.0 10.00 1.63 8.47) = 24.384% kept T HB3 GLU- 18 - HA ARG+ 84 3.704% * 17.6067% (0.16 1.0 10.00 0.72 1.52) = 17.607% kept T HG3 ARG+ 53 - HA ARG+ 84 3.704% * 11.4766% (0.26 1.0 10.00 0.28 0.02) = 11.477% kept T HB3 LYS+ 108 - HA ARG+ 84 3.704% * 1.1740% (0.38 1.0 10.00 0.02 0.02) = 1.174% kept T HB3 LYS+ 108 - HA ASN 76 3.704% * 0.7133% (0.23 1.0 10.00 0.02 0.02) = 0.713% HB3 LYS+ 63 - HA ARG+ 84 3.704% * 0.1174% (0.38 1.0 1.00 0.02 0.02) = 0.117% HG2 PRO 31 - HA ARG+ 84 3.704% * 0.1027% (0.33 1.0 1.00 0.02 0.02) = 0.103% HG3 LYS+ 63 - HA ARG+ 84 3.704% * 0.0989% (0.32 1.0 1.00 0.02 0.02) = 0.099% HB3 LYS+ 63 - HA ASN 76 3.704% * 0.0713% (0.23 1.0 1.00 0.02 0.02) = 0.071% HG2 PRO 31 - HA ASN 76 3.704% * 0.0624% (0.20 1.0 1.00 0.02 0.02) = 0.062% HG3 LYS+ 63 - HA ASN 76 3.704% * 0.0601% (0.20 1.0 1.00 0.02 0.02) = 0.060% HB3 ARG+ 84 - HA ASN 76 3.704% * 0.0523% (0.17 1.0 1.00 0.02 0.02) = 0.052% HG3 ARG+ 53 - HA ASN 76 3.704% * 0.0494% (0.16 1.0 1.00 0.02 0.02) = 0.049% HD3 LYS+ 72 - HA ARG+ 84 3.704% * 0.0445% (0.14 1.0 1.00 0.02 0.02) = 0.044% HB3 LYS+ 63 - HA GLU- 107 3.704% * 0.0299% (0.10 1.0 1.00 0.02 0.02) = 0.030% HB3 GLU- 18 - HA ASN 76 3.704% * 0.0296% (0.10 1.0 1.00 0.02 0.02) = 0.030% HG3 LYS+ 108 - HA ARG+ 84 3.704% * 0.0295% (0.10 1.0 1.00 0.02 0.02) = 0.030% HD3 LYS+ 72 - HA ASN 76 3.704% * 0.0270% (0.09 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 31 - HA GLU- 107 3.704% * 0.0261% (0.08 1.0 1.00 0.02 0.02) = 0.026% HG3 LYS+ 63 - HA GLU- 107 3.704% * 0.0252% (0.08 1.0 1.00 0.02 0.02) = 0.025% HB3 ARG+ 84 - HA GLU- 107 3.704% * 0.0219% (0.07 1.0 1.00 0.02 0.02) = 0.022% HG3 ARG+ 53 - HA GLU- 107 3.704% * 0.0207% (0.07 1.0 1.00 0.02 0.02) = 0.021% HG3 LYS+ 108 - HA ASN 76 3.704% * 0.0179% (0.06 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 18 - HA GLU- 107 3.704% * 0.0124% (0.04 1.0 1.00 0.02 0.02) = 0.012% HD3 LYS+ 72 - HA GLU- 107 3.704% * 0.0113% (0.04 1.0 1.00 0.02 0.02) = 0.011% HG3 LYS+ 108 - HA GLU- 107 3.704% * 0.0075% (0.02 1.0 1.00 0.02 8.47) = 0.008% Peak 1094 (1.18, 3.94, 56.30 ppm): 4 chemical-shift based assignments, quality = 0.939, support = 4.91, residual support = 107.7: O HB2 LEU 74 - HA LEU 74 25.000% * 99.7847% (0.94 10.0 4.92 107.93) = 99.785% kept QG2 THR 106 - HA LEU 74 25.000% * 0.0866% (0.82 1.0 0.02 0.02) = 0.087% HB2 LEU 43 - HA LEU 74 25.000% * 0.0763% (0.72 1.0 0.02 0.02) = 0.076% HG3 PRO 59 - HA LEU 74 25.000% * 0.0525% (0.50 1.0 0.02 0.02) = 0.052% Peak 1095 (0.87, 4.34, 56.53 ppm): 12 chemical-shift based assignments, quality = 0.116, support = 0.305, residual support = 1.28: QG2 VAL 40 - HA TRP 51 8.333% * 32.7066% (0.06 0.50 0.51) = 32.707% kept QG2 VAL 13 - HA TRP 51 8.333% * 31.5941% (0.06 0.43 3.30) = 31.594% kept QG2 ILE 100 - HA TRP 51 8.333% * 6.9143% (0.30 0.02 0.02) = 6.914% kept QD1 LEU 90 - HA TRP 51 8.333% * 6.7174% (0.29 0.02 0.02) = 6.717% kept QG2 ILE 100 - HA LYS+ 60 8.333% * 5.7023% (0.25 0.02 1.08) = 5.702% kept QD1 LEU 90 - HA LYS+ 60 8.333% * 5.5399% (0.24 0.02 0.02) = 5.540% kept QG1 VAL 80 - HA TRP 51 8.333% * 3.3581% (0.14 0.02 0.02) = 3.358% kept QG1 VAL 80 - HA LYS+ 60 8.333% * 2.7695% (0.12 0.02 0.02) = 2.769% kept QG2 VAL 87 - HA TRP 51 8.333% * 1.3118% (0.06 0.02 0.02) = 1.312% kept QG2 VAL 13 - HA LYS+ 60 8.333% * 1.2225% (0.05 0.02 0.02) = 1.222% kept QG2 VAL 40 - HA LYS+ 60 8.333% * 1.0818% (0.05 0.02 0.02) = 1.082% kept QG2 VAL 87 - HA LYS+ 60 8.333% * 1.0818% (0.05 0.02 0.02) = 1.082% kept Not enough quality. Peak unassigned. Peak 1096 (0.73, 4.25, 56.49 ppm): 48 chemical-shift based assignments, quality = 0.524, support = 0.452, residual support = 0.617: QG1 VAL 40 - HA ASN 76 2.083% * 21.9163% (0.88 0.52 0.32) = 21.916% kept QG2 ILE 101 - HA GLU- 18 2.083% * 15.7834% (0.35 0.95 3.05) = 15.783% kept QG2 ILE 48 - HA GLU- 18 2.083% * 11.0723% (0.47 0.50 0.02) = 11.072% kept QG1 VAL 40 - HA GLU- 18 2.083% * 10.2374% (0.71 0.30 0.11) = 10.237% kept HG LEU 74 - HA ASN 76 2.083% * 4.7035% (0.58 0.17 0.02) = 4.704% kept QG2 ILE 101 - HA LYS+ 108 2.083% * 4.6844% (0.10 0.94 0.37) = 4.684% kept QG2 ILE 48 - HA ASN 76 2.083% * 4.2814% (0.58 0.15 0.02) = 4.281% kept HG3 LYS+ 66 - HA ASN 76 2.083% * 3.9523% (0.81 0.10 0.02) = 3.952% kept QD1 ILE 68 - HA ASN 76 2.083% * 3.5334% (0.89 0.08 0.02) = 3.533% kept QG2 ILE 101 - HA ASN 76 2.083% * 3.0128% (0.43 0.15 0.02) = 3.013% kept HG LEU 74 - HA GLU- 107 2.083% * 2.5325% (0.17 0.31 0.36) = 2.532% kept QG2 ILE 101 - HA GLU- 107 2.083% * 2.3281% (0.13 0.38 0.02) = 2.328% kept HG3 LYS+ 44 - HA GLU- 18 2.083% * 2.2430% (0.14 0.33 0.02) = 2.243% kept QG2 ILE 48 - HA ARG+ 84 2.083% * 1.7917% (0.10 0.36 1.16) = 1.792% kept QD1 ILE 68 - HA GLU- 107 2.083% * 1.3075% (0.26 0.10 0.02) = 1.308% kept HG3 LYS+ 44 - HA ASN 76 2.083% * 1.0818% (0.18 0.13 0.02) = 1.082% kept QD1 ILE 68 - HA GLU- 18 2.083% * 0.6902% (0.72 0.02 0.02) = 0.690% HG3 LYS+ 66 - HA GLU- 18 2.083% * 0.6245% (0.65 0.02 0.02) = 0.625% HG LEU 74 - HA GLU- 18 2.083% * 0.4505% (0.47 0.02 0.02) = 0.450% QG1 VAL 40 - HA GLU- 107 2.083% * 0.2493% (0.26 0.02 0.02) = 0.249% HG3 LYS+ 66 - HA GLU- 107 2.083% * 0.2281% (0.24 0.02 0.02) = 0.228% QD1 ILE 68 - HA GLU- 10 2.083% * 0.2159% (0.22 0.02 0.02) = 0.216% QG1 VAL 40 - HA GLU- 10 2.083% * 0.2136% (0.22 0.02 0.02) = 0.214% QD1 ILE 68 - HA LYS+ 108 2.083% * 0.2070% (0.22 0.02 0.02) = 0.207% QG1 VAL 40 - HA LYS+ 108 2.083% * 0.2047% (0.21 0.02 0.02) = 0.205% HG3 LYS+ 66 - HA GLU- 10 2.083% * 0.1954% (0.20 0.02 0.02) = 0.195% HG3 LYS+ 66 - HA LYS+ 108 2.083% * 0.1873% (0.20 0.02 0.02) = 0.187% QG2 THR 96 - HA ASN 76 2.083% * 0.1710% (0.18 0.02 0.02) = 0.171% QG2 ILE 48 - HA GLU- 107 2.083% * 0.1631% (0.17 0.02 0.02) = 0.163% QD1 ILE 68 - HA ARG+ 84 2.083% * 0.1527% (0.16 0.02 0.02) = 0.153% QG1 VAL 40 - HA ARG+ 84 2.083% * 0.1510% (0.16 0.02 0.12) = 0.151% HG LEU 74 - HA GLU- 10 2.083% * 0.1409% (0.15 0.02 0.02) = 0.141% QG2 ILE 48 - HA GLU- 10 2.083% * 0.1398% (0.15 0.02 0.02) = 0.140% HG3 LYS+ 66 - HA ARG+ 84 2.083% * 0.1382% (0.14 0.02 0.02) = 0.138% QG2 THR 96 - HA GLU- 18 2.083% * 0.1378% (0.14 0.02 0.02) = 0.138% HG LEU 74 - HA LYS+ 108 2.083% * 0.1351% (0.14 0.02 0.02) = 0.135% QG2 ILE 48 - HA LYS+ 108 2.083% * 0.1340% (0.14 0.02 0.02) = 0.134% QG2 ILE 101 - HA GLU- 10 2.083% * 0.1041% (0.11 0.02 0.02) = 0.104% HG LEU 74 - HA ARG+ 84 2.083% * 0.0997% (0.10 0.02 0.44) = 0.100% QG2 ILE 101 - HA ARG+ 84 2.083% * 0.0736% (0.08 0.02 0.02) = 0.074% HG3 LYS+ 44 - HA GLU- 107 2.083% * 0.0503% (0.05 0.02 0.02) = 0.050% QG2 THR 96 - HA GLU- 107 2.083% * 0.0503% (0.05 0.02 0.02) = 0.050% HG3 LYS+ 44 - HA GLU- 10 2.083% * 0.0431% (0.04 0.02 0.02) = 0.043% QG2 THR 96 - HA GLU- 10 2.083% * 0.0431% (0.04 0.02 0.02) = 0.043% HG3 LYS+ 44 - HA LYS+ 108 2.083% * 0.0413% (0.04 0.02 0.02) = 0.041% QG2 THR 96 - HA LYS+ 108 2.083% * 0.0413% (0.04 0.02 0.02) = 0.041% HG3 LYS+ 44 - HA ARG+ 84 2.083% * 0.0305% (0.03 0.02 0.02) = 0.030% QG2 THR 96 - HA ARG+ 84 2.083% * 0.0305% (0.03 0.02 0.02) = 0.030% Peak 1097 (0.73, 3.93, 56.31 ppm): 8 chemical-shift based assignments, quality = 0.629, support = 4.74, residual support = 94.4: O HG LEU 74 - HA LEU 74 12.500% * 87.4000% (0.62 10.0 5.31 107.93) = 87.400% kept QG2 ILE 48 - HA LEU 74 12.500% * 5.0106% (0.59 1.0 1.21 0.02) = 5.011% kept QD1 ILE 68 - HA LEU 74 12.500% * 4.6122% (0.90 1.0 0.73 2.28) = 4.612% kept HG3 LYS+ 66 - HA LEU 74 12.500% * 1.5467% (0.78 1.0 0.28 0.43) = 1.547% kept QG2 ILE 101 - HA LEU 74 12.500% * 1.2537% (0.45 1.0 0.39 0.13) = 1.254% kept QG1 VAL 40 - HA LEU 74 12.500% * 0.1261% (0.89 1.0 0.02 0.02) = 0.126% QG2 THR 96 - HA LEU 74 12.500% * 0.0283% (0.20 1.0 0.02 0.02) = 0.028% HG3 LYS+ 44 - HA LEU 74 12.500% * 0.0223% (0.16 1.0 0.02 0.02) = 0.022% Peak 1101 (1.85, 4.36, 56.28 ppm): 14 chemical-shift based assignments, quality = 0.513, support = 3.01, residual support = 21.7: O T HB3 LYS+ 60 - HA LYS+ 60 7.143% * 56.7566% (0.60 10.0 10.00 3.63 31.24) = 56.757% kept T HB2 PRO 59 - HA LYS+ 60 7.143% * 38.0451% (0.40 1.0 10.00 2.47 10.43) = 38.045% kept T HB2 LYS+ 66 - HA LYS+ 60 7.143% * 3.0099% (0.59 1.0 10.00 0.11 0.02) = 3.010% kept T HB2 PRO 104 - HA LYS+ 60 7.143% * 0.5429% (0.58 1.0 10.00 0.02 0.02) = 0.543% T HB3 LYS+ 60 - HA TRP 51 7.143% * 0.4040% (0.43 1.0 10.00 0.02 0.02) = 0.404% T HB2 LYS+ 66 - HA TRP 51 7.143% * 0.3960% (0.42 1.0 10.00 0.02 0.02) = 0.396% T HB2 PRO 104 - HA TRP 51 7.143% * 0.3865% (0.41 1.0 10.00 0.02 0.02) = 0.386% T HB2 PRO 59 - HA TRP 51 7.143% * 0.2708% (0.29 1.0 10.00 0.02 0.02) = 0.271% HB3 LYS+ 72 - HA LYS+ 60 7.143% * 0.0556% (0.59 1.0 1.00 0.02 0.02) = 0.056% HB VAL 94 - HA LYS+ 60 7.143% * 0.0427% (0.45 1.0 1.00 0.02 0.02) = 0.043% HB3 LYS+ 72 - HA TRP 51 7.143% * 0.0396% (0.42 1.0 1.00 0.02 0.02) = 0.040% HB VAL 94 - HA TRP 51 7.143% * 0.0304% (0.32 1.0 1.00 0.02 0.02) = 0.030% HG3 LYS+ 108 - HA LYS+ 60 7.143% * 0.0116% (0.12 1.0 1.00 0.02 0.02) = 0.012% HG3 LYS+ 108 - HA TRP 51 7.143% * 0.0083% (0.09 1.0 1.00 0.02 0.02) = 0.008% Peak 1106 (8.97, 0.69, 14.34 ppm): 6 chemical-shift based assignments, quality = 0.865, support = 4.56, residual support = 58.6: HN ILE 19 - QD1 ILE 19 16.667% * 63.4678% (0.99 6.08 90.57) = 63.468% kept HN MET 97 - QD1 ILE 19 16.667% * 18.2136% (0.83 2.09 3.69) = 18.214% kept HN LEU 17 - QD1 ILE 19 16.667% * 11.7185% (0.64 1.73 1.73) = 11.719% kept HN THR 96 - QD1 ILE 19 16.667% * 4.3662% (0.20 2.11 2.53) = 4.366% kept HN PHE 21 - QD1 ILE 19 16.667% * 1.8575% (0.13 1.31 5.62) = 1.858% kept HN ARG+ 22 - QD1 ILE 19 16.667% * 0.3763% (0.25 0.14 0.53) = 0.376% Peak 1107 (8.86, 0.73, 14.31 ppm): 2 chemical-shift based assignments, quality = 0.398, support = 5.34, residual support = 84.8: HN ILE 68 - QD1 ILE 68 50.000% * 92.5801% (0.41 5.68 91.50) = 92.580% kept HN ASP- 36 - QD1 ILE 68 50.000% * 7.4199% (0.19 1.01 0.69) = 7.420% kept Peak 1108 (7.34, 0.69, 14.34 ppm): 7 chemical-shift based assignments, quality = 0.837, support = 5.08, residual support = 33.7: QE PHE 34 - QD1 ILE 19 14.286% * 43.2170% (0.95 5.60 34.23) = 43.217% kept HZ PHE 34 - QD1 ILE 19 14.286% * 27.7355% (0.95 3.59 34.23) = 27.735% kept QD PHE 34 - QD1 ILE 19 14.286% * 27.4138% (0.56 6.05 34.23) = 27.414% kept HN ARG+ 84 - QD1 ILE 19 14.286% * 1.3734% (0.44 0.38 0.02) = 1.373% kept HZ2 TRP 51 - QD1 ILE 19 14.286% * 0.1544% (0.95 0.02 0.02) = 0.154% HN VAL 47 - QD1 ILE 19 14.286% * 0.0779% (0.48 0.02 0.11) = 0.078% HE22 GLN 102 - QD1 ILE 19 14.286% * 0.0280% (0.17 0.02 0.02) = 0.028% Peak 1110 (4.99, 0.73, 14.26 ppm): 5 chemical-shift based assignments, quality = 0.475, support = 3.33, residual support = 49.3: HA ILE 68 - QD1 ILE 68 20.000% * 50.4220% (0.44 4.39 91.50) = 50.422% kept HA SER 69 - QD1 ILE 68 20.000% * 38.8835% (0.57 2.61 7.90) = 38.884% kept HA MET 97 - QD1 ILE 68 20.000% * 9.2416% (0.33 1.09 0.46) = 9.242% kept HA ALA 33 - QD1 ILE 68 20.000% * 1.2017% (0.13 0.36 0.02) = 1.202% kept HA PRO 31 - QD1 ILE 68 20.000% * 0.2511% (0.48 0.02 0.02) = 0.251% Peak 1111 (4.88, 0.69, 14.32 ppm): 4 chemical-shift based assignments, quality = 0.935, support = 5.98, residual support = 85.7: HA ILE 19 - QD1 ILE 19 25.000% * 94.4571% (0.98 6.21 90.57) = 94.457% kept HA THR 96 - QD1 ILE 19 25.000% * 5.5222% (0.17 2.05 2.53) = 5.522% kept HA ILE 19 - QD1 ILE 68 25.000% * 0.0176% (0.06 0.02 0.02) = 0.018% HA THR 96 - QD1 ILE 68 25.000% * 0.0031% (0.01 0.02 0.02) = 0.003% Peak 1112 (4.18, 0.73, 14.30 ppm): 6 chemical-shift based assignments, quality = 0.386, support = 1.61, residual support = 2.63: T HA VAL 73 - QD1 ILE 68 16.667% * 41.1298% (0.44 10.00 1.74 2.96) = 41.130% kept T HB3 SER 49 - QD1 ILE 68 16.667% * 33.2352% (0.40 10.00 1.53 2.61) = 33.235% kept T HA VAL 105 - QD1 ILE 68 16.667% * 23.7739% (0.29 10.00 1.54 2.25) = 23.774% kept HB THR 106 - QD1 ILE 68 16.667% * 1.7214% (0.29 1.00 1.12 0.80) = 1.721% kept T HA VAL 87 - QD1 ILE 68 16.667% * 0.1324% (0.12 10.00 0.02 0.02) = 0.132% HA ASP- 82 - QD1 ILE 68 16.667% * 0.0073% (0.07 1.00 0.02 0.02) = 0.007% Peak 1113 (2.88, 0.73, 14.31 ppm): 3 chemical-shift based assignments, quality = 0.248, support = 0.184, residual support = 0.148: HA1 GLY 58 - QD1 ILE 68 33.333% * 73.6694% (0.31 0.18 0.15) = 73.669% kept HB3 ASN 57 - QD1 ILE 68 33.333% * 24.5663% (0.08 0.22 0.16) = 24.566% kept HE3 LYS+ 81 - QD1 ILE 68 33.333% * 1.7643% (0.07 0.02 0.02) = 1.764% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1114 (1.67, 0.69, 14.35 ppm): 8 chemical-shift based assignments, quality = 0.674, support = 4.77, residual support = 76.7: O T HG13 ILE 19 - QD1 ILE 19 12.500% * 84.2966% (0.64 10.0 10.00 5.43 90.57) = 84.297% kept HB3 MET 97 - QD1 ILE 19 12.500% * 10.9168% (0.94 1.0 1.00 1.77 3.69) = 10.917% kept T HD3 LYS+ 55 - QD1 ILE 19 12.500% * 3.9396% (0.76 1.0 10.00 0.08 0.02) = 3.940% kept HB3 LYS+ 66 - QD1 ILE 19 12.500% * 0.4334% (0.83 1.0 1.00 0.08 0.02) = 0.433% HG3 ARG+ 84 - QD1 ILE 19 12.500% * 0.1303% (0.99 1.0 1.00 0.02 0.02) = 0.130% HB3 LYS+ 81 - QD1 ILE 19 12.500% * 0.1300% (0.99 1.0 1.00 0.02 0.02) = 0.130% HB ILE 100 - QD1 ILE 19 12.500% * 0.1130% (0.86 1.0 1.00 0.02 0.02) = 0.113% HB3 ARG+ 22 - QD1 ILE 19 12.500% * 0.0402% (0.31 1.0 1.00 0.02 0.53) = 0.040% Peak 1118 (0.91, 0.73, 14.31 ppm): 12 chemical-shift based assignments, quality = 0.311, support = 4.25, residual support = 77.5: O HG12 ILE 68 - QD1 ILE 68 8.333% * 78.4421% (0.31 10.0 4.41 91.50) = 78.442% kept QD1 LEU 67 - QD1 ILE 68 8.333% * 17.8521% (0.33 1.0 4.32 31.78) = 17.852% kept QG1 VAL 47 - QD1 ILE 68 8.333% * 1.3815% (0.30 1.0 0.37 0.02) = 1.381% kept QG2 VAL 105 - QD1 ILE 68 8.333% * 1.2314% (0.19 1.0 0.51 2.25) = 1.231% kept QG2 VAL 40 - QD1 ILE 68 8.333% * 0.7484% (0.26 1.0 0.23 0.02) = 0.748% QG2 VAL 80 - QD1 ILE 68 8.333% * 0.0969% (0.39 1.0 0.02 0.02) = 0.097% QG2 VAL 87 - QD1 ILE 68 8.333% * 0.0655% (0.26 1.0 0.02 0.02) = 0.066% HB2 ARG+ 84 - QD1 ILE 68 8.333% * 0.0526% (0.21 1.0 0.02 0.02) = 0.053% QD1 LEU 17 - QD1 ILE 68 8.333% * 0.0444% (0.18 1.0 0.02 0.02) = 0.044% QG1 VAL 105 - QD1 ILE 68 8.333% * 0.0405% (0.16 1.0 0.02 2.25) = 0.041% QG1 VAL 80 - QD1 ILE 68 8.333% * 0.0300% (0.12 1.0 0.02 0.02) = 0.030% QG2 VAL 62 - QD1 ILE 68 8.333% * 0.0146% (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 = 6.55, residual support = 90.6: T QG2 ILE 19 - QD1 ILE 19 100.000% *100.0000% (0.96 10.00 6.55 90.57) = 100.000% kept Peak 1126 (8.78, 0.39, 14.01 ppm): 4 chemical-shift based assignments, quality = 0.562, support = 1.23, residual support = 2.02: HN VAL 62 - QD1 ILE 48 25.000% * 38.7711% (0.24 2.38 4.15) = 38.771% kept HN THR 95 - QD1 ILE 48 25.000% * 27.7186% (0.96 0.43 0.02) = 27.719% kept HN PHE 34 - QD1 ILE 48 25.000% * 20.8116% (0.40 0.78 1.94) = 20.812% kept HN SER 69 - QD1 ILE 48 25.000% * 12.6988% (0.93 0.20 0.02) = 12.699% kept Peak 1127 (8.44, 4.27, 55.48 ppm): 6 chemical-shift based assignments, quality = 0.608, support = 0.885, residual support = 0.883: HN GLU- 75 - HA LEU 90 16.667% * 44.0828% (0.62 1.33 1.95) = 44.083% kept HN LEU 74 - HA LEU 90 16.667% * 19.3155% (0.84 0.43 0.02) = 19.315% kept HN ARG+ 53 - HA LEU 90 16.667% * 17.3250% (0.66 0.49 0.02) = 17.325% kept HN GLY 92 - HA LEU 90 16.667% * 10.6956% (0.20 0.99 0.14) = 10.696% kept HN HIS+ 14 - HA LEU 90 16.667% * 6.8969% (0.41 0.32 0.02) = 6.897% kept HN GLU- 107 - HA LEU 90 16.667% * 1.6843% (0.37 0.08 0.02) = 1.684% kept Peak 1128 (8.29, 4.29, 55.60 ppm): 5 chemical-shift based assignments, quality = 0.588, support = 2.25, residual support = 7.73: O HN ALA 91 - HA LEU 90 20.000% * 91.7749% (0.60 10.0 2.30 8.08) = 91.775% kept HN ASN 89 - HA LEU 90 20.000% * 6.5960% (0.45 1.0 1.93 4.78) = 6.596% kept HN ASP- 28 - HA LEU 90 20.000% * 1.5721% (0.66 1.0 0.31 0.02) = 1.572% kept HN VAL 99 - HA LEU 90 20.000% * 0.0361% (0.23 1.0 0.02 0.02) = 0.036% HN GLN 16 - HA LEU 90 20.000% * 0.0209% (0.14 1.0 0.02 0.02) = 0.021% Peak 1129 (7.41, 0.40, 14.05 ppm): 2 chemical-shift based assignments, quality = 0.683, support = 1.35, residual support = 3.12: HN GLU- 64 - QD1 ILE 48 50.000% * 68.3917% (0.86 1.23 3.10) = 68.392% kept HN THR 61 - QD1 ILE 48 50.000% * 31.6083% (0.31 1.60 3.17) = 31.608% kept Peak 1130 (7.31, 0.39, 14.04 ppm): 7 chemical-shift based assignments, quality = 0.687, support = 3.57, residual support = 55.5: HN ILE 48 - QD1 ILE 48 14.286% * 36.9192% (0.66 5.35 131.63) = 36.919% kept HN VAL 47 - QD1 ILE 48 14.286% * 27.9287% (0.77 3.47 22.57) = 27.929% kept QD PHE 34 - QD1 ILE 48 14.286% * 16.6925% (0.70 2.29 1.94) = 16.693% kept HN ARG+ 84 - QD1 ILE 48 14.286% * 11.1887% (0.81 1.33 1.16) = 11.189% kept QE PHE 34 - QD1 ILE 48 14.286% * 4.4035% (0.27 1.58 1.94) = 4.404% kept HZ PHE 34 - QD1 ILE 48 14.286% * 2.5538% (0.27 0.92 1.94) = 2.554% kept HZ2 TRP 51 - QD1 ILE 48 14.286% * 0.3136% (0.27 0.11 0.02) = 0.314% Peak 1131 (6.37, 4.29, 14.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1132 (4.71, 0.39, 14.05 ppm): 6 chemical-shift based assignments, quality = 0.901, support = 1.24, residual support = 2.27: HA THR 61 - QD1 ILE 48 16.667% * 71.3182% (0.93 1.61 3.17) = 71.318% kept HA2 GLY 30 - QD1 ILE 48 16.667% * 17.9051% (0.88 0.43 0.02) = 17.905% kept HA THR 39 - QD1 ILE 48 16.667% * 8.5802% (0.92 0.20 0.02) = 8.580% kept HA VAL 99 - QD1 ILE 48 16.667% * 0.8418% (0.88 0.02 0.49) = 0.842% HA GLN 16 - QD1 ILE 48 16.667% * 0.7433% (0.78 0.02 0.02) = 0.743% HA LYS+ 20 - QD1 ILE 48 16.667% * 0.6113% (0.64 0.02 0.02) = 0.611% Peak 1145 (3.87, 0.39, 14.06 ppm): 7 chemical-shift based assignments, quality = 0.915, support = 2.77, residual support = 7.8: T HA GLU- 45 - QD1 ILE 48 14.286% * 81.8394% (0.94 10.00 3.17 9.41) = 81.839% kept HB2 SER 85 - QD1 ILE 48 14.286% * 5.6359% (0.82 1.00 1.59 1.50) = 5.636% kept HB3 SER 27 - QD1 ILE 48 14.286% * 3.4341% (0.94 1.00 0.84 0.27) = 3.434% kept HB3 SER 77 - QD1 ILE 48 14.286% * 2.4078% (0.84 1.00 0.66 0.02) = 2.408% kept HD3 PRO 35 - QD1 ILE 48 14.286% * 2.3053% (0.75 1.00 0.70 0.11) = 2.305% kept HB3 SER 88 - QD1 ILE 48 14.286% * 2.2311% (0.78 1.00 0.65 0.02) = 2.231% kept HD2 PRO 86 - QD1 ILE 48 14.286% * 2.1463% (0.61 1.00 0.81 0.15) = 2.146% kept Peak 1146 (3.44, 0.39, 14.04 ppm): 6 chemical-shift based assignments, quality = 0.885, support = 3.96, residual support = 61.2: T HA VAL 62 - QD1 ILE 48 16.667% * 49.6822% (0.94 10.00 2.55 4.15) = 49.682% kept T HA ILE 48 - QD1 ILE 48 16.667% * 44.9543% (0.85 10.00 5.95 131.63) = 44.954% kept T HA VAL 40 - QD1 ILE 48 16.667% * 5.3078% (0.62 10.00 0.33 0.19) = 5.308% kept HA VAL 80 - QD1 ILE 48 16.667% * 0.0304% (0.58 1.00 0.02 0.02) = 0.030% HD3 PRO 31 - QD1 ILE 48 16.667% * 0.0155% (0.29 1.00 0.02 0.02) = 0.015% HA1 GLY 71 - QD1 ILE 48 16.667% * 0.0099% (0.19 1.00 0.02 0.92) = 0.010% Peak 1147 (2.45, 4.23, 55.31 ppm): 3 chemical-shift based assignments, quality = 0.652, support = 0.894, residual support = 1.63: T HG3 GLU- 45 - HA ALA 42 33.333% * 99.0365% (0.66 10.00 0.90 1.65) = 99.037% kept HB3 PRO 35 - HA ALA 42 33.333% * 0.7541% (0.42 1.00 0.11 0.02) = 0.754% HA1 GLY 58 - HA ALA 42 33.333% * 0.2094% (0.63 1.00 0.02 0.02) = 0.209% Peak 1148 (2.22, 4.23, 55.31 ppm): 14 chemical-shift based assignments, quality = 0.603, support = 0.0486, residual support = 0.02: HB3 PRO 35 - HA ALA 42 7.143% * 32.8756% (0.63 0.11 0.02) = 32.876% kept HG3 GLN 102 - HA ALA 42 7.143% * 7.3760% (0.76 0.02 0.02) = 7.376% kept HB3 PRO 52 - HA ALA 42 7.143% * 7.2460% (0.75 0.02 0.02) = 7.246% kept HG3 GLU- 18 - HA ALA 42 7.143% * 7.1342% (0.74 0.02 0.02) = 7.134% kept HB2 GLU- 50 - HA ALA 42 7.143% * 6.8240% (0.70 0.02 0.02) = 6.824% kept HG2 GLU- 64 - HA ALA 42 7.143% * 6.3261% (0.65 0.02 0.02) = 6.326% kept HG3 MET 97 - HA ALA 42 7.143% * 6.1746% (0.64 0.02 0.02) = 6.175% kept HG3 GLU- 56 - HA ALA 42 7.143% * 4.7822% (0.49 0.02 0.02) = 4.782% kept HG3 GLU- 10 - HA ALA 42 7.143% * 4.1852% (0.43 0.02 0.02) = 4.185% kept HG3 GLU- 64 - HA ALA 42 7.143% * 3.9586% (0.41 0.02 0.02) = 3.959% kept HG2 GLU- 56 - HA ALA 42 7.143% * 3.8893% (0.40 0.02 0.02) = 3.889% kept HG3 GLN 16 - HA ALA 42 7.143% * 3.3142% (0.34 0.02 0.02) = 3.314% kept HB3 ASN 15 - HA ALA 42 7.143% * 3.0391% (0.31 0.02 0.02) = 3.039% kept HA1 GLY 58 - HA ALA 42 7.143% * 2.8748% (0.30 0.02 0.02) = 2.875% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1149 (2.05, 0.39, 14.06 ppm): 13 chemical-shift based assignments, quality = 0.646, support = 1.34, residual support = 6.02: HB2 GLU- 45 - QD1 ILE 48 7.692% * 31.8102% (0.94 1.37 9.41) = 31.810% kept HB3 GLU- 45 - QD1 ILE 48 7.692% * 20.7321% (0.47 1.80 9.41) = 20.732% kept HB3 GLU- 75 - QD1 ILE 48 7.692% * 17.1453% (0.67 1.04 1.96) = 17.145% kept HB VAL 62 - QD1 ILE 48 7.692% * 15.7733% (0.33 1.95 4.15) = 15.773% kept HG3 PRO 86 - QD1 ILE 48 7.692% * 8.2725% (0.92 0.36 0.15) = 8.273% kept HB3 PRO 35 - QD1 ILE 48 7.692% * 1.7592% (0.15 0.48 0.11) = 1.759% kept HA1 GLY 58 - QD1 ILE 48 7.692% * 1.7259% (0.14 0.51 1.49) = 1.726% kept HG3 GLU- 64 - QD1 ILE 48 7.692% * 1.3757% (0.30 0.18 3.10) = 1.376% kept HB3 PRO 31 - QD1 ILE 48 7.692% * 0.8405% (0.27 0.13 0.02) = 0.840% HB3 GLU- 54 - QD1 ILE 48 7.692% * 0.2124% (0.43 0.02 0.02) = 0.212% HB3 GLU- 10 - QD1 ILE 48 7.692% * 0.1616% (0.33 0.02 0.02) = 0.162% HB ILE 101 - QD1 ILE 48 7.692% * 0.1181% (0.24 0.02 0.20) = 0.118% HB3 GLU- 107 - QD1 ILE 48 7.692% * 0.0731% (0.15 0.02 0.02) = 0.073% Peak 1150 (1.96, 4.28, 55.61 ppm): 8 chemical-shift based assignments, quality = 0.423, support = 0.507, residual support = 0.655: T HB VAL 73 - HA LEU 90 12.500% * 37.5374% (0.45 10.00 0.11 0.02) = 37.537% kept HB2 GLU- 75 - HA LEU 90 12.500% * 32.9150% (0.37 1.00 1.16 1.95) = 32.915% kept HB3 LYS+ 55 - HA LEU 90 12.500% * 13.3369% (0.50 1.00 0.35 0.02) = 13.337% kept HB2 GLU- 10 - HA LEU 90 12.500% * 6.3991% (0.18 1.00 0.46 0.02) = 6.399% kept HB VAL 13 - HA LEU 90 12.500% * 5.4051% (0.65 1.00 0.11 0.02) = 5.405% kept HG3 PRO 31 - HA LEU 90 12.500% * 3.6211% (0.52 1.00 0.09 0.02) = 3.621% kept HG3 PRO 104 - HA LEU 90 12.500% * 0.6094% (0.40 1.00 0.02 0.02) = 0.609% HB2 LYS+ 108 - HA LEU 90 12.500% * 0.1759% (0.11 1.00 0.02 0.02) = 0.176% Peak 1151 (1.74, 0.39, 14.04 ppm): 4 chemical-shift based assignments, quality = 0.967, support = 5.67, residual support = 128.3: O T HB ILE 48 - QD1 ILE 48 25.000% * 97.4375% (0.97 10.0 10.00 5.81 131.63) = 97.438% kept HB3 LEU 23 - QD1 ILE 48 25.000% * 2.4653% (0.90 1.0 1.00 0.54 0.02) = 2.465% kept HB2 LEU 17 - QD1 ILE 48 25.000% * 0.0636% (0.63 1.0 1.00 0.02 0.02) = 0.064% HB2 GLN 16 - QD1 ILE 48 25.000% * 0.0335% (0.33 1.0 1.00 0.02 0.02) = 0.034% Peak 1152 (1.59, 4.29, 55.42 ppm): 8 chemical-shift based assignments, quality = 0.509, support = 0.684, residual support = 0.705: T HB ILE 19 - HA LEU 90 12.500% * 83.2336% (0.52 10.00 0.70 0.80) = 83.234% kept HG LEU 17 - HA LEU 90 12.500% * 8.9481% (0.48 1.00 0.82 0.19) = 8.948% kept HD3 LYS+ 32 - HA LEU 90 12.500% * 5.6072% (0.63 1.00 0.38 0.45) = 5.607% kept HG12 ILE 29 - HA LEU 90 12.500% * 1.3522% (0.15 1.00 0.39 0.02) = 1.352% kept HB3 LYS+ 32 - HA LEU 90 12.500% * 0.4501% (0.98 1.00 0.02 0.45) = 0.450% HD3 LYS+ 60 - HA LEU 90 12.500% * 0.1854% (0.40 1.00 0.02 0.02) = 0.185% HD3 LYS+ 81 - HA LEU 90 12.500% * 0.1539% (0.33 1.00 0.02 0.02) = 0.154% QB ALA 42 - HA LEU 90 12.500% * 0.0696% (0.15 1.00 0.02 0.02) = 0.070% Peak 1153 (1.47, 0.39, 14.05 ppm): 7 chemical-shift based assignments, quality = 0.859, support = 4.53, residual support = 122.6: O T HG13 ILE 48 - QD1 ILE 48 14.286% * 93.0933% (0.87 10.0 10.00 4.83 131.63) = 93.093% kept HG3 LYS+ 60 - QD1 ILE 48 14.286% * 2.5217% (0.71 1.0 1.00 0.67 0.89) = 2.522% kept HB3 LYS+ 44 - QD1 ILE 48 14.286% * 2.1874% (0.59 1.0 1.00 0.69 0.02) = 2.187% kept HB3 LEU 67 - QD1 ILE 48 14.286% * 1.7606% (0.97 1.0 1.00 0.34 0.79) = 1.761% kept HG2 PRO 59 - QD1 ILE 48 14.286% * 0.3601% (0.71 1.0 1.00 0.10 0.02) = 0.360% QB ALA 70 - QD1 ILE 48 14.286% * 0.0588% (0.55 1.0 1.00 0.02 0.02) = 0.059% HG LEU 90 - QD1 ILE 48 14.286% * 0.0182% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 1154 (1.14, 0.40, 14.02 ppm): 6 chemical-shift based assignments, quality = 0.665, support = 1.27, residual support = 1.55: QB ALA 33 - QD1 ILE 48 16.667% * 56.5517% (0.89 1.07 0.85) = 56.552% kept QG2 THR 61 - QD1 ILE 48 16.667% * 33.7150% (0.29 1.95 3.17) = 33.715% kept HG3 LYS+ 32 - QD1 ILE 48 16.667% * 7.1057% (0.79 0.15 0.02) = 7.106% kept HG3 PRO 59 - QD1 ILE 48 16.667% * 2.2045% (0.39 0.10 0.02) = 2.204% kept HB2 LEU 43 - QD1 ILE 48 16.667% * 0.2499% (0.21 0.02 0.12) = 0.250% QG2 THR 106 - QD1 ILE 48 16.667% * 0.1732% (0.15 0.02 0.02) = 0.173% Peak 1155 (0.95, 0.40, 14.04 ppm): 9 chemical-shift based assignments, quality = 0.836, support = 1.25, residual support = 2.62: QG2 VAL 62 - QD1 ILE 48 11.111% * 44.2690% (0.86 1.68 4.15) = 44.269% kept QG2 ILE 29 - QD1 ILE 48 11.111% * 35.5252% (0.96 1.21 1.88) = 35.525% kept QG2 VAL 99 - QD1 ILE 48 11.111% * 8.8710% (0.92 0.32 0.49) = 8.871% kept HB2 ARG+ 84 - QD1 ILE 48 11.111% * 5.4079% (0.41 0.43 1.16) = 5.408% kept HG12 ILE 68 - QD1 ILE 48 11.111% * 4.4619% (0.22 0.66 0.02) = 4.462% kept QG2 VAL 73 - QD1 ILE 48 11.111% * 0.5757% (0.94 0.02 0.02) = 0.576% QG1 VAL 105 - QD1 ILE 48 11.111% * 0.3202% (0.52 0.02 0.02) = 0.320% QD1 LEU 17 - QD1 ILE 48 11.111% * 0.2962% (0.48 0.02 0.02) = 0.296% QG2 VAL 105 - QD1 ILE 48 11.111% * 0.2729% (0.45 0.02 0.02) = 0.273% Peak 1157 (0.84, 4.28, 55.45 ppm): 9 chemical-shift based assignments, quality = 0.471, support = 1.55, residual support = 4.56: T QD2 LEU 90 - HA LEU 90 11.111% * 43.5362% (0.37 10.00 1.88 9.55) = 43.536% kept T QD2 LEU 17 - HA LEU 90 11.111% * 39.8534% (0.48 10.00 1.33 0.19) = 39.853% kept QG1 VAL 13 - HA LEU 90 11.111% * 6.1934% (0.94 1.00 1.06 0.02) = 6.193% kept QD1 LEU 90 - HA LEU 90 11.111% * 3.3773% (0.17 1.00 3.13 9.55) = 3.377% kept QG2 VAL 13 - HA LEU 90 11.111% * 2.8501% (0.86 1.00 0.53 0.02) = 2.850% kept QD1 ILE 29 - HA LEU 90 11.111% * 2.7960% (0.94 1.00 0.48 0.02) = 2.796% kept T QG1 VAL 94 - HA LEU 90 11.111% * 0.8955% (0.72 10.00 0.02 0.02) = 0.896% QD2 LEU 67 - HA LEU 90 11.111% * 0.4790% (0.17 1.00 0.44 0.02) = 0.479% QG2 ILE 100 - HA LEU 90 11.111% * 0.0190% (0.15 1.00 0.02 0.02) = 0.019% Peak 1158 (0.71, 0.39, 14.05 ppm): 11 chemical-shift based assignments, quality = 0.778, support = 4.47, residual support = 86.5: QG2 ILE 48 - QD1 ILE 48 9.091% * 65.5762% (0.81 6.38 131.63) = 65.576% kept QG2 THR 96 - QD1 ILE 48 9.091% * 13.6620% (0.78 1.37 1.32) = 13.662% kept HG LEU 74 - QD1 ILE 48 9.091% * 6.4934% (0.95 0.53 0.02) = 6.493% kept QD1 ILE 68 - QD1 ILE 48 9.091% * 3.9679% (0.59 0.53 0.02) = 3.968% kept QG1 VAL 40 - QD1 ILE 48 9.091% * 3.7831% (0.63 0.47 0.19) = 3.783% kept QG2 ILE 101 - QD1 ILE 48 9.091% * 3.4900% (0.84 0.33 0.20) = 3.490% kept HG3 LYS+ 66 - QD1 ILE 48 9.091% * 1.1901% (0.27 0.34 0.11) = 1.190% kept QG2 ILE 68 - QD1 ILE 48 9.091% * 1.1080% (0.15 0.58 0.02) = 1.108% kept QG2 VAL 94 - QD1 ILE 48 9.091% * 0.6465% (0.15 0.34 0.02) = 0.647% QD1 ILE 19 - QD1 ILE 48 9.091% * 0.0491% (0.19 0.02 0.02) = 0.049% HG12 ILE 19 - QD1 ILE 48 9.091% * 0.0336% (0.13 0.02 0.02) = 0.034% 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): 3 chemical-shift based assignments, quality = 0.206, support = 3.22, residual support = 15.8: O HN ALA 42 - HA ALA 42 33.333% * 99.9368% (0.21 10.0 3.22 15.85) = 99.937% kept HN ALA 37 - HA ALA 42 33.333% * 0.0397% (0.08 1.0 0.02 0.02) = 0.040% HN VAL 13 - HA ALA 42 33.333% * 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): 6 chemical-shift based assignments, quality = 0.941, support = 3.25, residual support = 55.4: HA ILE 100 - QD1 ILE 100 16.667% * 78.5396% (0.98 3.96 70.49) = 78.540% kept HA GLN 102 - QD1 ILE 100 16.667% * 13.9186% (0.98 0.70 0.13) = 13.919% kept HA GLU- 50 - QD1 ILE 100 16.667% * 6.9897% (0.56 0.62 0.24) = 6.990% kept HA LYS+ 32 - QD1 ILE 100 16.667% * 0.3476% (0.85 0.02 0.02) = 0.348% HA SER 77 - QD1 ILE 100 16.667% * 0.1504% (0.37 0.02 0.02) = 0.150% HB THR 79 - QD1 ILE 100 16.667% * 0.0542% (0.13 0.02 0.02) = 0.054% 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 = 0.477, support = 1.52, residual support = 6.82: QG2 ILE 48 - QD1 ILE 100 33.333% * 58.2372% (0.70 0.83 0.70) = 58.237% kept QG2 ILE 101 - QD1 ILE 100 33.333% * 38.2284% (0.14 2.71 16.77) = 38.228% kept QG1 VAL 62 - QD1 ILE 100 33.333% * 3.5344% (0.37 0.09 0.02) = 3.534% kept Peak 1230 (9.51, 4.09, 53.22 ppm): 2 chemical-shift based assignments, quality = 0.494, support = 2.0, residual support = 13.9: O HN ALA 70 - HA ALA 70 50.000% * 99.8372% (0.49 10.0 2.00 13.94) = 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 = 14.0: O HN GLY 71 - HA ALA 70 33.333% * 99.9235% (0.58 10.0 2.72 14.02) = 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): 7 chemical-shift based assignments, quality = 0.888, support = 2.29, residual support = 13.9: O T QB ALA 70 - HA ALA 70 14.286% * 99.6955% (0.89 10.0 10.00 2.30 13.94) = 99.695% kept HB3 LYS+ 44 - HA ALA 70 14.286% * 0.0977% (0.87 1.0 1.00 0.02 0.02) = 0.098% HD3 LYS+ 108 - HA ALA 70 14.286% * 0.0585% (0.52 1.0 1.00 0.02 0.02) = 0.058% HB2 LYS+ 72 - HA ALA 70 14.286% * 0.0463% (0.41 1.0 1.00 0.02 2.00) = 0.046% HB3 LEU 67 - HA ALA 70 14.286% * 0.0463% (0.41 1.0 1.00 0.02 0.02) = 0.046% HG3 LYS+ 72 - HA ALA 70 14.286% * 0.0352% (0.31 1.0 1.00 0.02 2.00) = 0.035% HG13 ILE 48 - HA ALA 70 14.286% * 0.0204% (0.18 1.0 1.00 0.02 0.02) = 0.020% Peak 1238 (1.37, 4.23, 53.10 ppm): 9 chemical-shift based assignments, quality = 0.376, support = 1.2, residual support = 3.96: O QB ALA 11 - HA ALA 11 11.111% * 92.6530% (0.38 10.0 1.27 4.27) = 92.653% kept HB3 LEU 17 - HA ALA 11 11.111% * 2.5935% (0.35 1.0 0.38 0.02) = 2.593% kept HG3 ARG+ 22 - HA ALA 11 11.111% * 2.5501% (0.32 1.0 0.42 0.02) = 2.550% kept HG3 LYS+ 81 - HA ALA 11 11.111% * 1.7369% (0.32 1.0 0.28 0.02) = 1.737% kept HB3 LYS+ 20 - HA ALA 11 11.111% * 0.1458% (0.38 1.0 0.02 0.02) = 0.146% HG2 LYS+ 78 - HA ALA 11 11.111% * 0.1267% (0.33 1.0 0.02 0.02) = 0.127% QG2 THR 39 - HA ALA 11 11.111% * 0.1004% (0.26 1.0 0.02 0.02) = 0.100% HG13 ILE 68 - HA ALA 11 11.111% * 0.0711% (0.19 1.0 0.02 0.02) = 0.071% HD3 LYS+ 20 - HA ALA 11 11.111% * 0.0225% (0.06 1.0 0.02 0.02) = 0.023% Peak 1239 (8.25, 4.24, 52.81 ppm): 8 chemical-shift based assignments, quality = 0.583, support = 0.989, residual support = 2.23: O HN GLU- 12 - HA ALA 11 12.500% * 98.8698% (0.59 10.0 1.00 2.26) = 98.870% kept HN THR 106 - HA ALA 11 12.500% * 0.2723% (0.81 1.0 0.02 0.02) = 0.272% HN GLN 16 - HA ALA 11 12.500% * 0.2181% (0.65 1.0 0.02 0.02) = 0.218% HN LEU 67 - HA ALA 11 12.500% * 0.1652% (0.49 1.0 0.02 0.02) = 0.165% HN LYS+ 81 - HA ALA 11 12.500% * 0.1652% (0.49 1.0 0.02 0.02) = 0.165% HN GLY 58 - HA ALA 11 12.500% * 0.1325% (0.40 1.0 0.02 0.02) = 0.133% HN SER 49 - HA ALA 11 12.500% * 0.0929% (0.28 1.0 0.02 0.02) = 0.093% HN ASN 89 - HA ALA 11 12.500% * 0.0840% (0.25 1.0 0.02 0.02) = 0.084% 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): 6 chemical-shift based assignments, quality = 0.303, support = 0.104, residual support = 0.0195: T HA THR 24 - HA ALA 11 16.667% * 86.0985% (0.31 10.00 0.11 0.02) = 86.099% kept HB2 SER 49 - HA ALA 11 16.667% * 5.9003% (0.29 1.00 0.08 0.02) = 5.900% kept HB3 SER 49 - HA ALA 11 16.667% * 5.6819% (0.28 1.00 0.08 0.02) = 5.682% kept HB THR 38 - HA ALA 11 16.667% * 0.9048% (0.18 1.00 0.02 0.02) = 0.905% HA LYS+ 63 - HA ALA 11 16.667% * 0.7441% (0.15 1.00 0.02 0.02) = 0.744% HA ALA 70 - HA ALA 11 16.667% * 0.6703% (0.13 1.00 0.02 0.02) = 0.670% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1246 (3.95, 4.26, 53.19 ppm): 2 chemical-shift based assignments, quality = 0.301, support = 0.742, residual support = 1.92: HA LEU 74 - HA ALA 11 50.000% * 99.2821% (0.30 0.75 1.94) = 99.282% kept HB THR 96 - HA ALA 11 50.000% * 0.7179% (0.08 0.02 0.02) = 0.718% Peak 1247 (1.39, 4.32, 52.77 ppm): 13 chemical-shift based assignments, quality = 0.398, support = 1.31, residual support = 5.82: O QB ALA 93 - HA ALA 93 7.692% * 81.8364% (0.39 10.0 1.42 7.10) = 81.836% kept HB3 LEU 17 - HA ALA 93 7.692% * 4.7280% (0.18 1.0 1.79 0.22) = 4.728% kept HG2 LYS+ 78 - HA ALA 93 7.692% * 4.4839% (0.59 1.0 0.52 0.02) = 4.484% kept QG2 THR 39 - HA ALA 93 7.692% * 4.4805% (0.73 1.0 0.42 0.02) = 4.481% kept HB3 LYS+ 20 - HA ALA 93 7.692% * 2.7948% (0.30 1.0 0.63 0.02) = 2.795% kept QB ALA 11 - HA ALA 93 7.692% * 0.8827% (0.33 1.0 0.18 0.02) = 0.883% HG13 ILE 68 - HA ALA 93 7.692% * 0.2349% (0.80 1.0 0.02 0.02) = 0.235% HD3 LYS+ 20 - HA ALA 93 7.692% * 0.1980% (0.68 1.0 0.02 0.02) = 0.198% HG13 ILE 100 - HA ALA 93 7.692% * 0.1154% (0.39 1.0 0.02 0.02) = 0.115% HG LEU 67 - HA ALA 93 7.692% * 0.1063% (0.36 1.0 0.02 0.02) = 0.106% QB ALA 37 - HA ALA 93 7.692% * 0.0659% (0.22 1.0 0.02 0.02) = 0.066% HG3 ARG+ 22 - HA ALA 93 7.692% * 0.0366% (0.12 1.0 0.02 0.02) = 0.037% HG3 LYS+ 81 - HA ALA 93 7.692% * 0.0366% (0.12 1.0 0.02 0.02) = 0.037% Peak 1251 (9.57, 4.37, 52.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1253 (8.22, 4.31, 52.69 ppm): 10 chemical-shift based assignments, quality = 0.533, support = 2.0, residual support = 4.06: O HN VAL 94 - HA ALA 93 10.000% * 94.7296% (0.54 10.0 2.07 4.26) = 94.730% kept HN GLU- 45 - HA ALA 93 10.000% * 3.2513% (0.40 1.0 0.92 0.59) = 3.251% kept HN SER 49 - HA ALA 93 10.000% * 1.0583% (0.51 1.0 0.24 0.58) = 1.058% kept HN VAL 105 - HA ALA 93 10.000% * 0.3732% (0.53 1.0 0.08 0.02) = 0.373% HN ALA 11 - HA ALA 93 10.000% * 0.3248% (0.45 1.0 0.08 0.02) = 0.325% HN GLY 58 - HA ALA 93 10.000% * 0.0745% (0.43 1.0 0.02 0.02) = 0.075% HN LEU 67 - HA ALA 93 10.000% * 0.0622% (0.36 1.0 0.02 0.02) = 0.062% HN LYS+ 81 - HA ALA 93 10.000% * 0.0622% (0.36 1.0 0.02 0.02) = 0.062% HN GLU- 12 - HA ALA 93 10.000% * 0.0500% (0.29 1.0 0.02 0.13) = 0.050% HN THR 106 - HA ALA 93 10.000% * 0.0139% (0.08 1.0 0.02 0.02) = 0.014% Peak 1258 (1.43, 4.38, 52.52 ppm): 11 chemical-shift based assignments, quality = 0.141, support = 1.62, residual support = 5.33: O QB ALA 37 - HA ALA 37 9.091% * 76.9691% (0.12 10.0 1.65 5.93) = 76.969% kept QG2 THR 38 - HA ALA 37 9.091% * 15.2836% (0.21 1.0 1.86 4.67) = 15.284% kept QB ALA 91 - HA ALA 37 9.091% * 7.0810% (0.21 1.0 0.87 0.74) = 7.081% kept HG3 LYS+ 55 - HA ALA 37 9.091% * 0.1590% (0.21 1.0 0.02 0.02) = 0.159% HD3 LYS+ 44 - HA ALA 37 9.091% * 0.1558% (0.20 1.0 0.02 0.02) = 0.156% HG LEU 90 - HA ALA 37 9.091% * 0.1196% (0.16 1.0 0.02 0.02) = 0.120% HG LEU 67 - HA ALA 37 9.091% * 0.0618% (0.08 1.0 0.02 0.02) = 0.062% HG13 ILE 100 - HA ALA 37 9.091% * 0.0562% (0.07 1.0 0.02 0.02) = 0.056% QB ALA 93 - HA ALA 37 9.091% * 0.0562% (0.07 1.0 0.02 0.02) = 0.056% HG2 PRO 59 - HA ALA 37 9.091% * 0.0288% (0.04 1.0 0.02 0.02) = 0.029% HG3 LYS+ 60 - HA ALA 37 9.091% * 0.0288% (0.04 1.0 0.02 0.02) = 0.029% Peak 1259 (1.11, 4.38, 52.53 ppm): 4 chemical-shift based assignments, quality = 0.182, support = 0.02, residual support = 0.02: T QG2 THR 79 - HA ALA 37 25.000% * 48.3262% (0.22 10.00 0.02 0.02) = 48.326% kept T QG2 THR 61 - HA ALA 37 25.000% * 40.0082% (0.18 10.00 0.02 0.02) = 40.008% kept T QG2 THR 95 - HA ALA 37 25.000% * 10.3602% (0.05 10.00 0.02 0.02) = 10.360% kept HG3 LYS+ 32 - HA ALA 37 25.000% * 1.3054% (0.06 1.00 0.02 0.02) = 1.305% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1261 (6.74, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.82, support = 0.998, residual support = 2.89: HZ3 TRP 51 - QD1 ILE 101 50.000% * 77.7779% (0.80 1.20 3.70) = 77.778% kept QE TYR 83 - QD1 ILE 101 50.000% * 22.2221% (0.91 0.30 0.02) = 22.222% kept Peak 1262 (4.94, 0.55, 10.95 ppm): 3 chemical-shift based assignments, quality = 0.87, support = 5.34, residual support = 105.5: HA ILE 101 - QD1 ILE 101 33.333% * 91.8287% (0.89 5.75 114.85) = 91.829% kept HA HIS+ 98 - QD1 ILE 101 33.333% * 8.0644% (0.63 0.72 0.11) = 8.064% kept HA ALA 33 - QD1 ILE 101 33.333% * 0.1068% (0.30 0.02 1.34) = 0.107% Peak 1268 (4.21, 0.55, 10.94 ppm): 9 chemical-shift based assignments, quality = 0.616, support = 2.39, residual support = 3.73: T HB3 SER 49 - QD1 ILE 101 11.111% * 89.7071% (0.63 10.00 2.60 3.93) = 89.707% kept HA ASP- 82 - QD1 ILE 101 11.111% * 3.9086% (0.92 1.00 0.60 1.08) = 3.909% kept HA SER 49 - QD1 ILE 101 11.111% * 2.4284% (0.40 1.00 0.85 3.93) = 2.428% kept HA GLU- 18 - QD1 ILE 101 11.111% * 1.9665% (0.43 1.00 0.63 3.05) = 1.967% kept HA LYS+ 108 - QD1 ILE 101 11.111% * 0.7511% (0.19 1.00 0.55 0.37) = 0.751% HA GLU- 54 - QD1 ILE 101 11.111% * 0.5191% (0.19 1.00 0.38 0.02) = 0.519% HA GLU- 10 - QD1 ILE 101 11.111% * 0.3584% (0.19 1.00 0.26 0.02) = 0.358% HA ALA 42 - QD1 ILE 101 11.111% * 0.2365% (0.33 1.00 0.10 0.02) = 0.236% HA GLU- 12 - QD1 ILE 101 11.111% * 0.1244% (0.87 1.00 0.02 0.02) = 0.124% Peak 1271 (2.07, 0.55, 10.97 ppm): 9 chemical-shift based assignments, quality = 0.951, support = 5.26, residual support = 102.8: O T HB ILE 101 - QD1 ILE 101 11.111% * 89.3553% (0.97 10.0 10.00 5.71 114.85) = 89.355% kept HB3 GLU- 75 - QD1 ILE 101 11.111% * 7.7531% (0.88 1.0 1.00 1.90 1.65) = 7.753% kept HG3 GLU- 64 - QD1 ILE 101 11.111% * 1.7741% (0.49 1.0 1.00 0.79 0.02) = 1.774% kept HB VAL 62 - QD1 ILE 101 11.111% * 1.0065% (0.99 1.0 1.00 0.22 0.02) = 1.007% kept HB2 GLU- 45 - QD1 ILE 101 11.111% * 0.0409% (0.44 1.0 1.00 0.02 0.13) = 0.041% HG3 PRO 86 - QD1 ILE 101 11.111% * 0.0203% (0.22 1.0 1.00 0.02 0.02) = 0.020% HB3 PRO 35 - QD1 ILE 101 11.111% * 0.0190% (0.21 1.0 1.00 0.02 0.02) = 0.019% HG2 GLU- 64 - QD1 ILE 101 11.111% * 0.0157% (0.17 1.0 1.00 0.02 0.02) = 0.016% HA1 GLY 58 - QD1 ILE 101 11.111% * 0.0151% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1272 (1.63, 0.55, 10.95 ppm): 7 chemical-shift based assignments, quality = 0.922, support = 4.95, residual support = 114.4: O T HG12 ILE 101 - QD1 ILE 101 14.286% * 99.5647% (0.93 10.0 10.00 4.97 114.85) = 99.565% kept HG LEU 23 - QD1 ILE 101 14.286% * 0.1032% (0.96 1.0 1.00 0.02 1.57) = 0.103% HB ILE 68 - QD1 ILE 101 14.286% * 0.0972% (0.90 1.0 1.00 0.02 0.02) = 0.097% HG LEU 43 - QD1 ILE 101 14.286% * 0.0972% (0.90 1.0 1.00 0.02 0.02) = 0.097% HG3 LYS+ 78 - QD1 ILE 101 14.286% * 0.0723% (0.67 1.0 1.00 0.02 0.02) = 0.072% HB3 ARG+ 22 - QD1 ILE 101 14.286% * 0.0512% (0.48 1.0 1.00 0.02 0.02) = 0.051% HD3 LYS+ 32 - QD1 ILE 101 14.286% * 0.0142% (0.13 1.0 1.00 0.02 0.46) = 0.014% Peak 1273 (1.27, 0.55, 10.96 ppm): 5 chemical-shift based assignments, quality = 0.76, support = 4.9, residual support = 108.2: O T HG13 ILE 101 - QD1 ILE 101 20.000% * 94.1690% (0.75 10.0 10.00 5.18 114.85) = 94.169% kept HG2 LYS+ 32 - QD1 ILE 101 20.000% * 2.3277% (0.98 1.0 1.00 0.38 0.46) = 2.328% kept HB3 LEU 74 - QD1 ILE 101 20.000% * 1.9234% (0.95 1.0 1.00 0.32 0.13) = 1.923% kept HG2 LYS+ 81 - QD1 ILE 101 20.000% * 1.5418% (0.82 1.0 1.00 0.30 0.10) = 1.542% kept HB2 LYS+ 55 - QD1 ILE 101 20.000% * 0.0380% (0.30 1.0 1.00 0.02 0.02) = 0.038% Peak 1274 (1.00, 0.55, 10.95 ppm): 1 chemical-shift based assignment, quality = 0.975, support = 1.02, residual support = 3.72: T QG1 VAL 99 - QD1 ILE 101 100.000% *100.0000% (0.97 10.00 1.02 3.72) = 100.000% kept Peak 1275 (0.72, 0.55, 10.95 ppm): 7 chemical-shift based assignments, quality = 0.74, support = 4.49, residual support = 80.5: QG2 ILE 101 - QD1 ILE 101 14.286% * 69.9255% (0.75 6.10 114.85) = 69.926% kept QG2 ILE 48 - QD1 ILE 101 14.286% * 12.5598% (0.77 1.07 0.20) = 12.560% kept HG3 LYS+ 66 - QD1 ILE 101 14.286% * 6.1151% (0.44 0.90 2.25) = 6.115% kept HG LEU 74 - QD1 ILE 101 14.286% * 5.9986% (0.98 0.40 0.13) = 5.999% kept QG1 VAL 40 - QD1 ILE 101 14.286% * 4.1686% (0.83 0.33 0.69) = 4.169% kept QG2 THR 96 - QD1 ILE 101 14.286% * 0.9899% (0.60 0.11 0.02) = 0.990% QD1 ILE 68 - QD1 ILE 101 14.286% * 0.2425% (0.79 0.02 0.02) = 0.242% Peak 1276 (0.55, 0.55, 10.95 ppm): 1 diagonal assignment: QD1 ILE 101 - QD1 ILE 101 (0.96) kept Peak 1278 (6.27, 4.28, 10.95 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02: HA PHE 34 - HD3 PRO 86 100.000% *100.0000% (0.41 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1283 (4.85, 3.88, 51.10 ppm): 4 chemical-shift based assignments, quality = 0.709, support = 1.26, residual support = 4.4: HA THR 96 - HD2 PRO 86 25.000% * 97.8745% (0.71 1.29 4.49) = 97.875% kept HA THR 96 - HD3 PRO 35 25.000% * 1.5786% (0.74 0.02 0.02) = 1.579% kept HA ILE 19 - HD3 PRO 35 25.000% * 0.2789% (0.13 0.02 1.49) = 0.279% HA ILE 19 - HD2 PRO 86 25.000% * 0.2680% (0.13 0.02 0.02) = 0.268% Peak 1285 (3.86, 3.88, 51.10 ppm): 2 diagonal assignments: 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): 24 chemical-shift based assignments, quality = 0.642, support = 2.14, residual support = 10.0: O HG3 PRO 86 - HD2 PRO 86 4.167% * 82.0885% (0.75 10.0 1.00 2.44 11.94) = 82.089% kept O T HB3 PRO 35 - HD3 PRO 35 4.167% * 11.9814% (0.11 10.0 10.00 1.00 1.37) = 11.981% kept HB3 GLU- 75 - HD2 PRO 86 4.167% * 1.6124% (0.48 1.0 1.00 0.62 1.98) = 1.612% kept HB3 GLU- 75 - HD3 PRO 35 4.167% * 1.4179% (0.49 1.0 1.00 0.53 2.60) = 1.418% kept T HB3 GLU- 45 - HD3 PRO 35 4.167% * 0.7395% (0.67 1.0 10.00 0.02 1.17) = 0.739% T HB3 GLU- 54 - HD3 PRO 35 4.167% * 0.7089% (0.65 1.0 10.00 0.02 0.02) = 0.709% T HB2 GLU- 45 - HD3 PRO 35 4.167% * 0.6429% (0.59 1.0 10.00 0.02 1.17) = 0.643% T HB3 PRO 35 - HD2 PRO 86 4.167% * 0.1174% (0.11 1.0 10.00 0.02 0.02) = 0.117% HG3 PRO 86 - HD3 PRO 35 4.167% * 0.0837% (0.76 1.0 1.00 0.02 0.02) = 0.084% HB3 GLU- 45 - HD2 PRO 86 4.167% * 0.0725% (0.66 1.0 1.00 0.02 0.02) = 0.072% HB3 GLU- 54 - HD2 PRO 86 4.167% * 0.0695% (0.63 1.0 1.00 0.02 0.02) = 0.069% HB2 GLU- 45 - HD2 PRO 86 4.167% * 0.0630% (0.57 1.0 1.00 0.02 0.02) = 0.063% HB3 GLU- 10 - HD3 PRO 35 4.167% * 0.0608% (0.55 1.0 1.00 0.02 0.02) = 0.061% HB3 GLU- 10 - HD2 PRO 86 4.167% * 0.0596% (0.54 1.0 1.00 0.02 0.02) = 0.060% HB3 PRO 31 - HD3 PRO 35 4.167% * 0.0537% (0.49 1.0 1.00 0.02 0.02) = 0.054% HB3 PRO 31 - HD2 PRO 86 4.167% * 0.0526% (0.48 1.0 1.00 0.02 0.02) = 0.053% HB3 GLU- 107 - HD3 PRO 35 4.167% * 0.0364% (0.33 1.0 1.00 0.02 0.02) = 0.036% HB3 GLU- 107 - HD2 PRO 86 4.167% * 0.0357% (0.33 1.0 1.00 0.02 0.02) = 0.036% HG3 GLU- 64 - HD3 PRO 35 4.167% * 0.0228% (0.21 1.0 1.00 0.02 0.02) = 0.023% HG3 GLU- 64 - HD2 PRO 86 4.167% * 0.0224% (0.20 1.0 1.00 0.02 2.89) = 0.022% HB2 GLU- 18 - HD3 PRO 35 4.167% * 0.0175% (0.16 1.0 1.00 0.02 0.02) = 0.018% HB2 GLU- 18 - HD2 PRO 86 4.167% * 0.0172% (0.16 1.0 1.00 0.02 0.02) = 0.017% HA1 GLY 58 - HD3 PRO 35 4.167% * 0.0120% (0.11 1.0 1.00 0.02 0.47) = 0.012% HA1 GLY 58 - HD2 PRO 86 4.167% * 0.0117% (0.11 1.0 1.00 0.02 0.02) = 0.012% Peak 1287 (4.85, 3.83, 51.08 ppm): 2 chemical-shift based assignments, quality = 0.638, support = 1.27, residual support = 4.48: HA THR 96 - HD3 PRO 86 50.000% * 99.7222% (0.64 1.27 4.49) = 99.722% kept HA ILE 19 - HD3 PRO 86 50.000% * 0.2778% (0.11 0.02 0.02) = 0.278% Peak 1288 (4.60, 3.80, 50.88 ppm): 3 chemical-shift based assignments, quality = 0.0873, support = 0.02, residual support = 0.02: HA ASP- 25 - HD3 PRO 86 33.333% * 59.9749% (0.11 0.02 0.02) = 59.975% kept HA LYS+ 72 - HD3 PRO 86 33.333% * 31.8359% (0.06 0.02 0.02) = 31.836% kept HA LYS+ 78 - HD3 PRO 86 33.333% * 8.1892% (0.02 0.02 0.02) = 8.189% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1296 (3.82, 3.81, 50.96 ppm): 1 diagonal assignment: HD3 PRO 86 - HD3 PRO 86 (0.31) kept Peak 1297 (3.80, 3.62, 50.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1300 (3.63, 3.80, 50.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1301 (3.63, 3.62, 50.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 14 chemical-shift based assignments, quality = 0.63, support = 2.55, residual support = 7.82: O T HB3 PRO 86 - HD2 PRO 86 7.143% * 37.7744% (0.70 10.0 10.00 3.55 11.94) = 37.774% kept O T HB3 PRO 35 - HD3 PRO 35 7.143% * 37.7578% (0.70 10.0 10.00 1.00 1.37) = 37.758% kept O T HB2 PRO 86 - HD2 PRO 86 7.143% * 23.3742% (0.43 10.0 10.00 3.55 11.94) = 23.374% kept T HB3 PRO 35 - HD2 PRO 86 7.143% * 0.3852% (0.71 1.0 10.00 0.02 0.02) = 0.385% T HB3 PRO 86 - HD3 PRO 35 7.143% * 0.3703% (0.69 1.0 10.00 0.02 0.02) = 0.370% T HB2 PRO 86 - HD3 PRO 35 7.143% * 0.2291% (0.42 1.0 10.00 0.02 0.02) = 0.229% HA1 GLY 58 - HD2 PRO 86 7.143% * 0.0213% (0.40 1.0 1.00 0.02 0.02) = 0.021% HA1 GLY 58 - HD3 PRO 35 7.143% * 0.0209% (0.39 1.0 1.00 0.02 0.47) = 0.021% HB2 TYR 83 - HD2 PRO 86 7.143% * 0.0188% (0.35 1.0 1.00 0.02 0.02) = 0.019% HB2 TYR 83 - HD3 PRO 35 7.143% * 0.0184% (0.34 1.0 1.00 0.02 0.56) = 0.018% HB2 LYS+ 44 - HD2 PRO 86 7.143% * 0.0086% (0.16 1.0 1.00 0.02 0.02) = 0.009% HB2 LYS+ 44 - HD3 PRO 35 7.143% * 0.0084% (0.16 1.0 1.00 0.02 0.02) = 0.008% HG2 GLU- 64 - HD2 PRO 86 7.143% * 0.0064% (0.12 1.0 1.00 0.02 2.89) = 0.006% HG2 GLU- 64 - HD3 PRO 35 7.143% * 0.0063% (0.12 1.0 1.00 0.02 0.02) = 0.006% Peak 1311 (2.30, 3.82, 51.00 ppm): 7 chemical-shift based assignments, quality = 0.378, support = 1.99, residual support = 11.9: O HB2 PRO 86 - HD3 PRO 86 14.286% * 62.3988% (0.39 10.0 2.40 11.94) = 62.399% kept O HB3 PRO 86 - HD3 PRO 86 14.286% * 37.4256% (0.36 10.0 1.30 11.94) = 37.426% kept HB3 PRO 35 - HD3 PRO 86 14.286% * 0.0719% (0.45 1.0 0.02 0.02) = 0.072% HA1 GLY 58 - HD3 PRO 86 14.286% * 0.0388% (0.24 1.0 0.02 0.02) = 0.039% HB2 LYS+ 44 - HD3 PRO 86 14.286% * 0.0323% (0.20 1.0 0.02 0.02) = 0.032% HB2 TYR 83 - HD3 PRO 86 14.286% * 0.0179% (0.11 1.0 0.02 0.02) = 0.018% HG2 GLU- 64 - HD3 PRO 86 14.286% * 0.0147% (0.09 1.0 0.02 2.89) = 0.015% Peak 1312 (2.02, 3.81, 50.97 ppm): 11 chemical-shift based assignments, quality = 0.213, support = 1.99, residual support = 11.6: O T HG2 PRO 86 - HD3 PRO 86 9.091% * 72.1185% (0.26 10.0 10.00 1.60 11.94) = 72.119% kept O T HG3 PRO 86 - HD3 PRO 86 9.091% * 24.7648% (0.09 10.0 10.00 3.35 11.94) = 24.765% kept HB3 GLU- 75 - HD3 PRO 86 9.091% * 1.5134% (0.14 1.0 1.00 0.76 1.98) = 1.513% kept HB2 HIS+ 14 - HD3 PRO 86 9.091% * 1.0614% (0.28 1.0 1.00 0.27 0.02) = 1.061% kept HB3 GLU- 107 - HD3 PRO 86 9.091% * 0.0993% (0.36 1.0 1.00 0.02 0.02) = 0.099% HB3 PRO 31 - HD3 PRO 86 9.091% * 0.0939% (0.34 1.0 1.00 0.02 0.02) = 0.094% HB3 GLU- 10 - HD3 PRO 86 9.091% * 0.0891% (0.32 1.0 1.00 0.02 0.02) = 0.089% HB2 GLU- 18 - HD3 PRO 86 9.091% * 0.0891% (0.32 1.0 1.00 0.02 0.02) = 0.089% HB3 GLU- 54 - HD3 PRO 86 9.091% * 0.0795% (0.28 1.0 1.00 0.02 0.02) = 0.080% HB3 GLU- 45 - HD3 PRO 86 9.091% * 0.0759% (0.27 1.0 1.00 0.02 0.02) = 0.076% HG3 GLU- 64 - HD3 PRO 86 9.091% * 0.0151% (0.05 1.0 1.00 0.02 2.89) = 0.015% Peak 1313 (1.99, 3.62, 50.80 ppm): 18 chemical-shift based assignments, quality = 0.0433, support = 2.76, residual support = 46.0: O HG3 PRO 104 - HD2 PRO 104 5.556% * 73.0855% (0.05 10.0 1.00 3.24 53.16) = 73.086% kept O HB3 PRO 31 - HD2 PRO 31 5.556% * 24.7041% (0.02 10.0 1.00 1.57 28.87) = 24.704% kept T HB3 GLU- 75 - HD2 PRO 104 5.556% * 0.4164% (0.03 1.0 10.00 0.02 0.02) = 0.416% T HB3 GLU- 75 - HD2 PRO 31 5.556% * 0.3832% (0.03 1.0 10.00 0.02 0.02) = 0.383% HB2 LYS+ 108 - HD2 PRO 104 5.556% * 0.1689% (0.12 1.0 1.00 0.02 0.02) = 0.169% HB2 LYS+ 108 - HD2 PRO 31 5.556% * 0.1554% (0.11 1.0 1.00 0.02 0.02) = 0.155% HG2 PRO 86 - HD2 PRO 104 5.556% * 0.1488% (0.11 1.0 1.00 0.02 0.02) = 0.149% HG2 PRO 86 - HD2 PRO 31 5.556% * 0.1370% (0.10 1.0 1.00 0.02 0.02) = 0.137% HB2 HIS+ 14 - HD2 PRO 104 5.556% * 0.1338% (0.09 1.0 1.00 0.02 0.02) = 0.134% HB2 HIS+ 14 - HD2 PRO 31 5.556% * 0.1231% (0.09 1.0 1.00 0.02 0.02) = 0.123% HB2 GLU- 18 - HD2 PRO 104 5.556% * 0.1102% (0.08 1.0 1.00 0.02 0.02) = 0.110% HB2 GLU- 18 - HD2 PRO 31 5.556% * 0.1015% (0.07 1.0 1.00 0.02 0.02) = 0.101% HG3 PRO 104 - HD2 PRO 31 5.556% * 0.0673% (0.05 1.0 1.00 0.02 0.02) = 0.067% HB3 GLU- 107 - HD2 PRO 104 5.556% * 0.0601% (0.04 1.0 1.00 0.02 0.02) = 0.060% HB VAL 73 - HD2 PRO 104 5.556% * 0.0601% (0.04 1.0 1.00 0.02 0.02) = 0.060% HB3 GLU- 107 - HD2 PRO 31 5.556% * 0.0553% (0.04 1.0 1.00 0.02 0.02) = 0.055% HB VAL 73 - HD2 PRO 31 5.556% * 0.0553% (0.04 1.0 1.00 0.02 0.02) = 0.055% HB3 PRO 31 - HD2 PRO 104 5.556% * 0.0341% (0.02 1.0 1.00 0.02 0.02) = 0.034% 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): 8 chemical-shift based assignments, quality = 0.794, support = 3.03, residual support = 28.2: O HG3 PRO 31 - HD3 PRO 31 12.500% * 97.7698% (0.80 10.0 3.09 28.87) = 97.770% kept HB3 LYS+ 55 - HD3 PRO 31 12.500% * 1.8460% (0.76 1.0 0.39 0.35) = 1.846% kept HB VAL 13 - HD3 PRO 31 12.500% * 0.1171% (0.95 1.0 0.02 0.02) = 0.117% HB VAL 73 - HD3 PRO 31 12.500% * 0.0757% (0.62 1.0 0.02 0.02) = 0.076% HB2 GLU- 75 - HD3 PRO 31 12.500% * 0.0710% (0.58 1.0 0.02 0.02) = 0.071% HG3 PRO 104 - HD3 PRO 31 12.500% * 0.0663% (0.54 1.0 0.02 0.02) = 0.066% HB2 GLU- 10 - HD3 PRO 31 12.500% * 0.0361% (0.29 1.0 0.02 0.02) = 0.036% HB2 LYS+ 108 - HD3 PRO 31 12.500% * 0.0181% (0.15 1.0 0.02 0.02) = 0.018% Peak 1316 (1.78, 3.58, 50.95 ppm): 14 chemical-shift based assignments, quality = 0.957, support = 2.97, residual support = 28.6: O HG2 PRO 31 - HD2 PRO 31 7.143% * 99.1989% (0.97 10.0 2.99 28.87) = 99.199% kept HB3 GLU- 18 - HD2 PRO 31 7.143% * 0.3055% (0.74 1.0 0.08 0.02) = 0.305% HG3 LYS+ 63 - HD2 PRO 31 7.143% * 0.0994% (0.97 1.0 0.02 0.02) = 0.099% HG3 ARG+ 53 - HD2 PRO 31 7.143% * 0.0959% (0.93 1.0 0.02 0.02) = 0.096% HB3 LYS+ 63 - HD2 PRO 31 7.143% * 0.0760% (0.74 1.0 0.02 0.02) = 0.076% HB3 LYS+ 108 - HD2 PRO 31 7.143% * 0.0760% (0.74 1.0 0.02 0.02) = 0.076% HB3 ARG+ 84 - HD2 PRO 31 7.143% * 0.0373% (0.36 1.0 0.02 0.02) = 0.037% HG3 LYS+ 63 - HD2 PRO 104 7.143% * 0.0197% (0.19 1.0 0.02 0.02) = 0.020% HG2 PRO 31 - HD2 PRO 104 7.143% * 0.0197% (0.19 1.0 0.02 0.02) = 0.020% HG3 ARG+ 53 - HD2 PRO 104 7.143% * 0.0190% (0.18 1.0 0.02 0.02) = 0.019% HB3 LYS+ 108 - HD2 PRO 104 7.143% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% HB3 LYS+ 63 - HD2 PRO 104 7.143% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% HB3 GLU- 18 - HD2 PRO 104 7.143% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% HB3 ARG+ 84 - HD2 PRO 104 7.143% * 0.0074% (0.07 1.0 0.02 0.02) = 0.007% Peak 1317 (1.78, 3.46, 50.99 ppm): 8 chemical-shift based assignments, quality = 0.789, support = 3.93, residual support = 28.6: O HG2 PRO 31 - HD3 PRO 31 12.500% * 99.1014% (0.80 10.0 3.97 28.87) = 99.101% kept HB3 GLU- 18 - HD3 PRO 31 12.500% * 0.5244% (0.89 1.0 0.10 0.02) = 0.524% HG3 ARG+ 53 - HD3 PRO 31 12.500% * 0.1120% (0.90 1.0 0.02 0.02) = 0.112% HG3 LYS+ 63 - HD3 PRO 31 12.500% * 0.1025% (0.82 1.0 0.02 0.02) = 0.102% HB3 LYS+ 108 - HD3 PRO 31 12.500% * 0.0556% (0.45 1.0 0.02 0.02) = 0.056% HB3 LYS+ 63 - HD3 PRO 31 12.500% * 0.0556% (0.45 1.0 0.02 0.02) = 0.056% HB2 LEU 17 - HD3 PRO 31 12.500% * 0.0285% (0.23 1.0 0.02 0.02) = 0.028% HB3 ARG+ 84 - HD3 PRO 31 12.500% * 0.0200% (0.16 1.0 0.02 0.02) = 0.020% Peak 1320 (4.55, 3.75, 50.58 ppm): 5 chemical-shift based assignments, quality = 0.782, support = 2.02, residual support = 12.5: O HA ALA 103 - HD3 PRO 104 20.000% * 99.7285% (0.78 10.0 2.02 12.58) = 99.729% kept HA LEU 17 - HD3 PRO 104 20.000% * 0.1234% (0.97 1.0 0.02 0.02) = 0.123% HA LYS+ 55 - HD3 PRO 104 20.000% * 0.0952% (0.75 1.0 0.02 0.02) = 0.095% HA LYS+ 78 - HD3 PRO 104 20.000% * 0.0311% (0.24 1.0 0.02 0.02) = 0.031% HB THR 46 - HD3 PRO 104 20.000% * 0.0218% (0.17 1.0 0.02 0.32) = 0.022% Peak 1321 (4.57, 3.61, 50.61 ppm): 8 chemical-shift based assignments, quality = 0.167, support = 0.169, residual support = 0.0306: HA LEU 17 - HD2 PRO 31 12.500% * 36.2550% (0.03 0.43 0.02) = 36.255% kept HA LYS+ 78 - HD2 PRO 104 12.500% * 19.5870% (0.37 0.02 0.02) = 19.587% kept HA LYS+ 55 - HD2 PRO 104 12.500% * 14.3500% (0.27 0.02 0.02) = 14.350% kept HA LYS+ 72 - HD2 PRO 104 12.500% * 11.9862% (0.23 0.02 0.02) = 11.986% kept HA LEU 17 - HD2 PRO 104 12.500% * 7.4168% (0.14 0.02 0.02) = 7.417% kept HA LYS+ 78 - HD2 PRO 31 12.500% * 4.4379% (0.08 0.02 0.02) = 4.438% kept HA LYS+ 55 - HD2 PRO 31 12.500% * 3.2513% (0.06 0.02 0.35) = 3.251% kept HA LYS+ 72 - HD2 PRO 31 12.500% * 2.7157% (0.05 0.02 0.02) = 2.716% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1325 (3.62, 3.75, 50.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1326 (1.96, 3.75, 50.63 ppm): 8 chemical-shift based assignments, quality = 0.549, support = 4.68, residual support = 52.8: O HG3 PRO 104 - HD3 PRO 104 12.500% * 99.2371% (0.55 10.0 4.72 53.16) = 99.237% kept HB VAL 13 - HD3 PRO 104 12.500% * 0.1753% (0.98 1.0 0.02 0.02) = 0.175% HG3 PRO 31 - HD3 PRO 104 12.500% * 0.1464% (0.82 1.0 0.02 0.02) = 0.146% HB3 LYS+ 55 - HD3 PRO 104 12.500% * 0.1404% (0.78 1.0 0.02 0.02) = 0.140% HB VAL 73 - HD3 PRO 104 12.500% * 0.1134% (0.63 1.0 0.02 0.02) = 0.113% HB2 GLU- 75 - HD3 PRO 104 12.500% * 0.1063% (0.59 1.0 0.02 0.02) = 0.106% HB2 GLU- 10 - HD3 PRO 104 12.500% * 0.0541% (0.30 1.0 0.02 0.02) = 0.054% HB2 LYS+ 108 - HD3 PRO 104 12.500% * 0.0270% (0.15 1.0 0.02 0.02) = 0.027% Peak 1327 (1.31, 3.75, 50.60 ppm): 3 chemical-shift based assignments, quality = 0.642, support = 3.09, residual support = 12.0: T QB ALA 103 - HD3 PRO 104 33.333% * 95.1314% (0.63 10.00 3.22 12.58) = 95.131% kept QG2 THR 46 - HD3 PRO 104 33.333% * 4.8134% (0.96 1.00 0.66 0.32) = 4.813% kept HB2 LYS+ 55 - HD3 PRO 104 33.333% * 0.0552% (0.36 1.00 0.02 0.02) = 0.055% Peak 1328 (1.32, 3.60, 50.59 ppm): 6 chemical-shift based assignments, quality = 0.379, support = 2.81, residual support = 11.9: T QB ALA 103 - HD2 PRO 104 16.667% * 94.8497% (0.37 10.00 2.93 12.58) = 94.850% kept QG2 THR 46 - HD2 PRO 104 16.667% * 5.0325% (0.61 1.00 0.65 0.32) = 5.033% kept HB2 LYS+ 55 - HD2 PRO 104 16.667% * 0.0533% (0.21 1.00 0.02 0.02) = 0.053% QG2 THR 46 - HD2 PRO 31 16.667% * 0.0330% (0.13 1.00 0.02 0.02) = 0.033% QB ALA 103 - HD2 PRO 31 16.667% * 0.0201% (0.08 1.00 0.02 0.02) = 0.020% HB2 LYS+ 55 - HD2 PRO 31 16.667% * 0.0113% (0.04 1.00 0.02 0.35) = 0.011% Peak 1329 (4.36, 3.28, 50.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1330 (4.36, 1.87, 50.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1332 (3.28, 3.27, 50.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1333 (3.29, 1.87, 50.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1334 (1.88, 3.28, 50.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1335 (1.87, 1.87, 50.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1336 (1.69, 3.29, 50.26 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1337 (1.69, 1.88, 50.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1338 (1.47, 3.28, 50.26 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1339 (1.46, 1.88, 50.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 1342 (9.40, 4.37, 50.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1343 (6.89, 4.28, 49.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1346 (7.51, 4.28, 49.55 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1352 (1.85, 1.86, 47.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1353 (1.84, 1.75, 47.61 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1354 (1.77, 1.75, 47.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1355 (1.50, 1.86, 47.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1356 (1.51, 1.75, 47.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1357 (1.19, 1.86, 47.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1358 (1.19, 1.74, 47.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1359 (3.82, 4.30, 47.62 ppm): 3 chemical-shift based assignments, quality = 0.347, support = 0.0638, residual support = 0.02: HB3 SER 41 - HD3 PRO 59 33.333% * 69.0279% (0.35 0.08 0.02) = 69.028% kept HD3 PRO 86 - HD3 PRO 59 33.333% * 17.2846% (0.37 0.02 0.02) = 17.285% kept HA2 GLY 92 - HD3 PRO 59 33.333% * 13.6875% (0.29 0.02 0.02) = 13.687% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1360 (2.99, 2.99, 5.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1361 (4.99, 4.29, 5.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 8 chemical-shift based assignments, quality = 0.734, support = 4.3, residual support = 77.5: O T HB3 LEU 67 - HB2 LEU 67 12.500% * 98.8250% (0.74 10.0 10.00 4.35 78.38) = 98.825% kept HG LEU 90 - HB2 LEU 67 12.500% * 0.7539% (0.32 1.0 1.00 0.35 0.02) = 0.754% HG13 ILE 48 - HB2 LEU 67 12.500% * 0.1139% (0.86 1.0 1.00 0.02 0.79) = 0.114% HG3 LYS+ 60 - HB2 LEU 67 12.500% * 0.1078% (0.81 1.0 1.00 0.02 0.02) = 0.108% HG2 PRO 59 - HB2 LEU 67 12.500% * 0.1078% (0.81 1.0 1.00 0.02 0.02) = 0.108% HB3 LYS+ 44 - HB2 LEU 67 12.500% * 0.0389% (0.29 1.0 1.00 0.02 0.54) = 0.039% QB ALA 70 - HB2 LEU 67 12.500% * 0.0352% (0.26 1.0 1.00 0.02 0.02) = 0.035% HG3 LYS+ 55 - HB2 LEU 67 12.500% * 0.0176% (0.13 1.0 1.00 0.02 0.02) = 0.018% Peak 1365 (1.21, 1.47, 46.80 ppm): 2 chemical-shift based assignments, quality = 0.89, support = 4.34, residual support = 78.3: O T HB2 LEU 67 - HB3 LEU 67 50.000% * 99.9312% (0.89 10.0 10.00 4.35 78.38) = 99.931% kept HG12 ILE 100 - HB3 LEU 67 50.000% * 0.0688% (0.61 1.0 1.00 0.02 4.71) = 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): 7 chemical-shift based assignments, quality = 0.805, support = 0.532, residual support = 0.295: QG2 VAL 13 - HB2 LEU 67 14.286% * 87.6184% (0.86 0.60 0.02) = 87.618% kept QG2 ILE 100 - HB2 LEU 67 14.286% * 5.8541% (0.39 0.09 4.71) = 5.854% kept QD1 ILE 29 - HB2 LEU 67 14.286% * 1.7866% (0.53 0.02 0.02) = 1.787% kept QG1 VAL 13 - HB2 LEU 67 14.286% * 1.7866% (0.53 0.02 0.02) = 1.787% kept QD1 LEU 90 - HB2 LEU 67 14.286% * 1.4337% (0.42 0.02 0.02) = 1.434% kept QG1 VAL 94 - HB2 LEU 67 14.286% * 1.0047% (0.30 0.02 0.02) = 1.005% kept QD2 LEU 17 - HB2 LEU 67 14.286% * 0.5159% (0.15 0.02 0.02) = 0.516% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 1368 (0.80, 1.47, 46.84 ppm): 5 chemical-shift based assignments, quality = 0.721, support = 3.35, residual support = 78.2: O QD2 LEU 67 - HB3 LEU 67 20.000% * 99.7362% (0.72 10.0 3.36 78.38) = 99.736% kept QD1 ILE 100 - HB3 LEU 67 20.000% * 0.1061% (0.77 1.0 0.02 4.71) = 0.106% QD2 LEU 90 - HB3 LEU 67 20.000% * 0.0697% (0.51 1.0 0.02 0.02) = 0.070% QD2 LEU 17 - HB3 LEU 67 20.000% * 0.0560% (0.41 1.0 0.02 0.02) = 0.056% QG1 VAL 94 - HB3 LEU 67 20.000% * 0.0320% (0.23 1.0 0.02 0.02) = 0.032% Peak 1369 (-0.36, 4.33, 46.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1371 (4.14, 3.46, 45.62 ppm): 9 chemical-shift based assignments, quality = 0.761, support = 1.99, residual support = 12.6: O T HA2 GLY 71 - HA1 GLY 71 11.111% * 99.5052% (0.76 10.0 10.00 2.00 12.64) = 99.505% kept HB3 SER 49 - HA1 GLY 71 11.111% * 0.0986% (0.76 1.0 1.00 0.02 0.02) = 0.099% HB2 SER 88 - HA1 GLY 71 11.111% * 0.0943% (0.72 1.0 1.00 0.02 0.02) = 0.094% HD2 PRO 59 - HA1 GLY 71 11.111% * 0.0921% (0.71 1.0 1.00 0.02 0.02) = 0.092% HA ARG+ 53 - HA1 GLY 71 11.111% * 0.0799% (0.61 1.0 1.00 0.02 0.02) = 0.080% HA VAL 87 - HA1 GLY 71 11.111% * 0.0605% (0.46 1.0 1.00 0.02 0.02) = 0.060% HA VAL 105 - HA1 GLY 71 11.111% * 0.0249% (0.19 1.0 1.00 0.02 0.02) = 0.025% HB THR 106 - HA1 GLY 71 11.111% * 0.0249% (0.19 1.0 1.00 0.02 0.02) = 0.025% HA THR 46 - HA1 GLY 71 11.111% * 0.0197% (0.15 1.0 1.00 0.02 0.02) = 0.020% Peak 1372 (3.46, 4.14, 45.61 ppm): 6 chemical-shift based assignments, quality = 0.77, support = 1.99, residual support = 12.6: O T HA1 GLY 71 - HA2 GLY 71 16.667% * 99.6942% (0.77 10.0 10.00 2.00 12.64) = 99.694% kept HD3 PRO 31 - HA2 GLY 71 16.667% * 0.0997% (0.77 1.0 1.00 0.02 0.02) = 0.100% HA VAL 80 - HA2 GLY 71 16.667% * 0.0805% (0.62 1.0 1.00 0.02 0.02) = 0.081% HA VAL 40 - HA2 GLY 71 16.667% * 0.0769% (0.60 1.0 1.00 0.02 0.02) = 0.077% HA VAL 62 - HA2 GLY 71 16.667% * 0.0310% (0.24 1.0 1.00 0.02 0.24) = 0.031% HA1 GLY 30 - HA2 GLY 71 16.667% * 0.0176% (0.14 1.0 1.00 0.02 0.02) = 0.018% Peak 1374 (8.98, 1.74, 45.39 ppm): 3 chemical-shift based assignments, quality = 0.264, support = 4.64, residual support = 72.4: O HN LEU 17 - HB2 LEU 17 33.333% * 80.4382% (0.18 10.0 5.50 89.64) = 80.438% kept HN ILE 19 - HB2 LEU 17 33.333% * 17.6591% (0.65 1.0 1.20 1.73) = 17.659% kept HN MET 97 - HB2 LEU 17 33.333% * 1.9027% (0.31 1.0 0.27 0.02) = 1.903% kept Peak 1375 (8.98, 1.35, 45.37 ppm): 3 chemical-shift based assignments, quality = 0.267, support = 4.28, residual support = 73.9: O HN LEU 17 - HB3 LEU 17 33.333% * 82.1780% (0.19 10.0 5.02 89.64) = 82.178% kept HN ILE 19 - HB3 LEU 17 33.333% * 14.5582% (0.69 1.0 0.97 1.73) = 14.558% kept HN MET 97 - HB3 LEU 17 33.333% * 3.2638% (0.33 1.0 0.46 0.02) = 3.264% kept Peak 1376 (8.46, 3.98, 45.56 ppm): 6 chemical-shift based assignments, quality = 0.475, support = 1.65, residual support = 7.31: O HN GLY 92 - HA1 GLY 92 16.667% * 97.7522% (0.48 10.0 1.68 7.48) = 97.752% kept HN GLU- 18 - HA1 GLY 92 16.667% * 1.9652% (0.23 1.0 0.71 0.02) = 1.965% kept HN GLU- 107 - HA1 GLY 92 16.667% * 0.1333% (0.55 1.0 0.02 0.02) = 0.133% HN LEU 74 - HA1 GLY 92 16.667% * 0.0976% (0.40 1.0 0.02 0.24) = 0.098% HN GLU- 10 - HA1 GLY 92 16.667% * 0.0335% (0.14 1.0 0.02 0.02) = 0.034% HN ARG+ 53 - HA1 GLY 92 16.667% * 0.0182% (0.08 1.0 0.02 0.02) = 0.018% Peak 1377 (8.39, 4.13, 45.59 ppm): 2 chemical-shift based assignments, quality = 0.341, support = 3.08, residual support = 12.6: O HN GLY 71 - HA2 GLY 71 50.000% * 99.9543% (0.34 10.0 3.09 12.64) = 99.954% kept HN LYS+ 108 - HA2 GLY 71 50.000% * 0.0457% (0.16 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 = 12.6: O HN GLY 71 - HA1 GLY 71 33.333% * 99.9269% (0.35 10.0 3.11 12.64) = 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): 5 chemical-shift based assignments, quality = 0.715, support = 3.3, residual support = 31.7: O HN ASP- 28 - HB3 ASP- 28 20.000% * 96.3914% (0.71 10.0 3.41 32.90) = 96.391% kept HN ALA 91 - HB3 ASP- 28 20.000% * 2.9375% (0.98 1.0 0.44 0.02) = 2.938% kept HN VAL 99 - HB3 ASP- 28 20.000% * 0.5848% (0.63 1.0 0.14 0.45) = 0.585% HN ASN 89 - HB3 ASP- 28 20.000% * 0.0453% (0.33 1.0 0.02 0.02) = 0.045% HN ASN 76 - HB3 ASP- 28 20.000% * 0.0410% (0.30 1.0 0.02 0.02) = 0.041% Peak 1380 (8.14, 4.36, 45.48 ppm): 4 chemical-shift based assignments, quality = 0.15, support = 2.57, residual support = 13.5: O HN GLY 26 - HA2 GLY 26 25.000% * 97.5149% (0.15 10.0 2.62 13.80) = 97.515% kept HN SER 41 - HA2 GLY 26 25.000% * 2.2447% (0.10 1.0 0.68 0.02) = 2.245% kept HN SER 77 - HA2 GLY 26 25.000% * 0.1813% (0.28 1.0 0.02 0.02) = 0.181% HN SER 88 - HA2 GLY 26 25.000% * 0.0591% (0.09 1.0 0.02 0.02) = 0.059% Peak 1381 (8.13, 3.53, 45.30 ppm): 3 chemical-shift based assignments, quality = 0.598, support = 2.5, residual support = 13.8: O HN GLY 26 - HA1 GLY 26 33.333% * 99.8585% (0.60 10.0 2.50 13.80) = 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 = 3.44, residual support = 32.9: O T HA ASP- 28 - HB3 ASP- 28 100.000% *100.0000% (0.82 10.0 10.00 3.44 32.90) = 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 = 32.9: O T HA ASP- 28 - HB2 ASP- 28 100.000% *100.0000% (0.89 10.0 10.00 3.00 32.90) = 100.000% kept Peak 1384 (4.55, 1.75, 45.36 ppm): 5 chemical-shift based assignments, quality = 0.991, support = 5.28, residual support = 89.5: O HA LEU 17 - HB2 LEU 17 20.000% * 99.8002% (0.99 10.0 5.29 89.64) = 99.800% kept HA LYS+ 55 - HB2 LEU 17 20.000% * 0.0801% (0.80 1.0 0.02 0.02) = 0.080% HA ALA 103 - HB2 LEU 17 20.000% * 0.0764% (0.76 1.0 0.02 0.02) = 0.076% HA LYS+ 78 - HB2 LEU 17 20.000% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HB THR 46 - HB2 LEU 17 20.000% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 1385 (4.55, 1.35, 45.38 ppm): 5 chemical-shift based assignments, quality = 0.839, support = 4.95, residual support = 89.4: O HA LEU 17 - HB3 LEU 17 20.000% * 99.7597% (0.84 10.0 4.96 89.64) = 99.760% kept HA LYS+ 55 - HB3 LEU 17 20.000% * 0.1103% (0.93 1.0 0.02 0.02) = 0.110% HA LYS+ 78 - HB3 LEU 17 20.000% * 0.0630% (0.53 1.0 0.02 0.02) = 0.063% HA ALA 103 - HB3 LEU 17 20.000% * 0.0499% (0.42 1.0 0.02 0.02) = 0.050% HA LYS+ 72 - HB3 LEU 17 20.000% * 0.0172% (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): 1 diagonal assignment: HA2 GLY 92 - HA2 GLY 92 (0.18) kept Peak 1389 (3.54, 4.36, 45.29 ppm): 3 chemical-shift based assignments, quality = 0.886, support = 1.93, residual support = 13.8: O T HA1 GLY 26 - HA2 GLY 26 33.333% * 99.8580% (0.89 10.0 10.00 1.93 13.80) = 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 = 0.874, support = 2.78, residual support = 25.5: O T HB3 ASP- 28 - HB2 ASP- 28 16.667% * 77.5494% (0.87 10.0 10.00 3.44 32.90) = 77.549% kept T HB2 LYS+ 78 - HB2 ASP- 28 16.667% * 19.6504% (0.94 1.0 10.00 0.47 0.12) = 19.650% kept HA1 GLY 58 - HB2 ASP- 28 16.667% * 2.6326% (0.66 1.0 1.00 0.90 0.02) = 2.633% kept HB3 GLU- 50 - HB2 ASP- 28 16.667% * 0.0729% (0.81 1.0 1.00 0.02 0.02) = 0.073% HB3 PRO 35 - HB2 ASP- 28 16.667% * 0.0714% (0.80 1.0 1.00 0.02 0.02) = 0.071% HG3 GLU- 50 - HB2 ASP- 28 16.667% * 0.0234% (0.26 1.0 1.00 0.02 0.02) = 0.023% Peak 1393 (2.13, 2.38, 45.41 ppm): 13 chemical-shift based assignments, quality = 0.916, support = 3.39, residual support = 32.4: O T HB2 ASP- 28 - HB3 ASP- 28 7.692% * 98.5827% (0.93 10.0 10.00 3.44 32.90) = 98.583% kept HB3 LYS+ 78 - HB3 ASP- 28 7.692% * 0.7982% (0.61 1.0 1.00 0.25 0.12) = 0.798% HG3 GLU- 64 - HB3 ASP- 28 7.692% * 0.0971% (0.92 1.0 1.00 0.02 0.02) = 0.097% HG2 GLU- 45 - HB3 ASP- 28 7.692% * 0.0918% (0.87 1.0 1.00 0.02 0.02) = 0.092% HB3 GLU- 75 - HB3 ASP- 28 7.692% * 0.0790% (0.74 1.0 1.00 0.02 0.02) = 0.079% HB VAL 105 - HB3 ASP- 28 7.692% * 0.0760% (0.72 1.0 1.00 0.02 0.02) = 0.076% HG2 GLU- 64 - HB3 ASP- 28 7.692% * 0.0691% (0.65 1.0 1.00 0.02 0.02) = 0.069% HB VAL 87 - HB3 ASP- 28 7.692% * 0.0484% (0.46 1.0 1.00 0.02 0.02) = 0.048% HB VAL 47 - HB3 ASP- 28 7.692% * 0.0484% (0.46 1.0 1.00 0.02 0.02) = 0.048% HB3 PRO 35 - HB3 ASP- 28 7.692% * 0.0438% (0.41 1.0 1.00 0.02 0.02) = 0.044% HB3 LEU 43 - HB3 ASP- 28 7.692% * 0.0277% (0.26 1.0 1.00 0.02 0.02) = 0.028% HA1 GLY 58 - HB3 ASP- 28 7.692% * 0.0244% (0.23 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 104 - HB3 ASP- 28 7.692% * 0.0135% (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): 4 chemical-shift based assignments, quality = 0.914, support = 5.47, residual support = 83.1: O T HB2 LEU 17 - HB3 LEU 17 25.000% * 91.3631% (0.95 10.0 10.00 5.77 89.64) = 91.363% kept HB3 GLU- 18 - HB3 LEU 17 25.000% * 4.5683% (0.27 1.0 1.00 3.53 26.99) = 4.568% kept HB3 LEU 23 - HB3 LEU 17 25.000% * 3.9907% (0.91 1.0 1.00 0.91 0.19) = 3.991% kept HB ILE 48 - HB3 LEU 17 25.000% * 0.0779% (0.81 1.0 1.00 0.02 0.02) = 0.078% Peak 1397 (1.59, 1.75, 45.36 ppm): 8 chemical-shift based assignments, quality = 0.504, support = 4.36, residual support = 85.0: O HG LEU 17 - HB2 LEU 17 12.500% * 94.8569% (0.49 10.0 4.58 89.64) = 94.857% kept HB3 LYS+ 32 - HB2 LEU 17 12.500% * 3.2129% (1.00 1.0 0.33 0.21) = 3.213% kept HD3 LYS+ 32 - HB2 LEU 17 12.500% * 1.6210% (0.65 1.0 0.26 0.21) = 1.621% kept HB ILE 19 - HB2 LEU 17 12.500% * 0.1025% (0.53 1.0 0.02 1.73) = 0.103% HD3 LYS+ 60 - HB2 LEU 17 12.500% * 0.0801% (0.41 1.0 0.02 0.02) = 0.080% HD3 LYS+ 81 - HB2 LEU 17 12.500% * 0.0665% (0.34 1.0 0.02 0.02) = 0.066% HG12 ILE 29 - HB2 LEU 17 12.500% * 0.0301% (0.15 1.0 0.02 11.28) = 0.030% QB ALA 42 - HB2 LEU 17 12.500% * 0.0301% (0.15 1.0 0.02 0.02) = 0.030% Peak 1398 (1.58, 1.36, 45.39 ppm): 10 chemical-shift based assignments, quality = 0.746, support = 4.4, residual support = 84.9: O HG LEU 17 - HB3 LEU 17 10.000% * 94.6800% (0.75 10.0 4.62 89.64) = 94.680% kept HB3 LYS+ 32 - HB3 LEU 17 10.000% * 3.5817% (0.85 1.0 0.67 0.21) = 3.582% kept HD3 LYS+ 32 - HB3 LEU 17 10.000% * 1.3353% (0.37 1.0 0.57 0.21) = 1.335% kept HB ILE 19 - HB3 LEU 17 10.000% * 0.0992% (0.79 1.0 0.02 1.73) = 0.099% HD3 LYS+ 60 - HB3 LEU 17 10.000% * 0.0851% (0.67 1.0 0.02 0.02) = 0.085% HD3 LYS+ 81 - HB3 LEU 17 10.000% * 0.0751% (0.60 1.0 0.02 0.02) = 0.075% QB ALA 42 - HB3 LEU 17 10.000% * 0.0423% (0.34 1.0 0.02 0.02) = 0.042% HG12 ILE 29 - HB3 LEU 17 10.000% * 0.0423% (0.34 1.0 0.02 11.28) = 0.042% HB3 LEU 90 - HB3 LEU 17 10.000% * 0.0344% (0.27 1.0 0.02 0.19) = 0.034% HG13 ILE 29 - HB3 LEU 17 10.000% * 0.0245% (0.19 1.0 0.02 11.28) = 0.025% Peak 1399 (1.36, 1.75, 45.38 ppm): 8 chemical-shift based assignments, quality = 0.977, support = 5.68, residual support = 88.2: O HB3 LEU 17 - HB2 LEU 17 12.500% * 98.4100% (0.98 10.0 5.77 89.64) = 98.410% kept HB3 LYS+ 20 - HB2 LEU 17 12.500% * 1.1602% (0.95 1.0 0.24 0.77) = 1.160% kept HG3 LYS+ 81 - HB2 LEU 17 12.500% * 0.0952% (0.95 1.0 0.02 0.02) = 0.095% HG3 ARG+ 22 - HB2 LEU 17 12.500% * 0.0952% (0.95 1.0 0.02 0.13) = 0.095% QB ALA 11 - HB2 LEU 17 12.500% * 0.0933% (0.93 1.0 0.02 0.02) = 0.093% HG2 LYS+ 78 - HB2 LEU 17 12.500% * 0.0677% (0.68 1.0 0.02 0.02) = 0.068% QG2 THR 39 - HB2 LEU 17 12.500% * 0.0480% (0.48 1.0 0.02 0.02) = 0.048% HG13 ILE 68 - HB2 LEU 17 12.500% * 0.0304% (0.30 1.0 0.02 0.02) = 0.030% 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): 14 chemical-shift based assignments, quality = 0.912, support = 3.6, residual support = 86.7: O QD1 LEU 17 - HB2 LEU 17 7.143% * 96.6221% (0.92 10.0 3.71 89.64) = 96.622% kept HB2 ARG+ 84 - HB2 LEU 17 7.143% * 2.7450% (0.96 1.0 0.54 1.35) = 2.745% kept HG12 ILE 68 - HB2 LEU 17 7.143% * 0.1037% (0.98 1.0 0.02 0.02) = 0.104% QG2 VAL 105 - HB2 LEU 17 7.143% * 0.0990% (0.94 1.0 0.02 0.02) = 0.099% QG2 VAL 80 - HB2 LEU 17 7.143% * 0.0939% (0.89 1.0 0.02 0.02) = 0.094% QG1 VAL 105 - HB2 LEU 17 7.143% * 0.0939% (0.89 1.0 0.02 0.02) = 0.094% QG2 VAL 62 - HB2 LEU 17 7.143% * 0.0593% (0.56 1.0 0.02 0.02) = 0.059% QG2 VAL 73 - HB2 LEU 17 7.143% * 0.0469% (0.45 1.0 0.02 0.21) = 0.047% QG2 ILE 29 - HB2 LEU 17 7.143% * 0.0430% (0.41 1.0 0.02 11.28) = 0.043% QD1 LEU 67 - HB2 LEU 17 7.143% * 0.0261% (0.25 1.0 0.02 0.02) = 0.026% QG1 VAL 47 - HB2 LEU 17 7.143% * 0.0207% (0.20 1.0 0.02 0.16) = 0.021% QG2 VAL 40 - HB2 LEU 17 7.143% * 0.0161% (0.15 1.0 0.02 0.02) = 0.016% QG2 VAL 87 - HB2 LEU 17 7.143% * 0.0161% (0.15 1.0 0.02 0.02) = 0.016% QG2 VAL 99 - HB2 LEU 17 7.143% * 0.0142% (0.13 1.0 0.02 0.15) = 0.014% Peak 1402 (0.93, 1.36, 45.37 ppm): 12 chemical-shift based assignments, quality = 0.879, support = 3.52, residual support = 82.9: O QD1 LEU 17 - HB3 LEU 17 8.333% * 92.1197% (0.92 10.0 3.74 89.64) = 92.120% kept QG2 ILE 29 - HB3 LEU 17 8.333% * 2.8148% (0.43 1.0 1.29 11.28) = 2.815% kept QG2 VAL 73 - HB3 LEU 17 8.333% * 2.7668% (0.47 1.0 1.17 0.21) = 2.767% kept QG2 VAL 62 - HB3 LEU 17 8.333% * 1.7858% (0.59 1.0 0.60 0.02) = 1.786% kept HB2 ARG+ 84 - HB3 LEU 17 8.333% * 0.0955% (0.95 1.0 0.02 1.35) = 0.095% HG12 ILE 68 - HB3 LEU 17 8.333% * 0.0955% (0.95 1.0 0.02 0.02) = 0.095% QG2 VAL 105 - HB3 LEU 17 8.333% * 0.0940% (0.93 1.0 0.02 0.02) = 0.094% QG1 VAL 105 - HB3 LEU 17 8.333% * 0.0899% (0.89 1.0 0.02 0.02) = 0.090% QG2 VAL 80 - HB3 LEU 17 8.333% * 0.0845% (0.84 1.0 0.02 0.02) = 0.084% QD1 LEU 67 - HB3 LEU 17 8.333% * 0.0217% (0.22 1.0 0.02 0.02) = 0.022% QG1 VAL 47 - HB3 LEU 17 8.333% * 0.0171% (0.17 1.0 0.02 0.16) = 0.017% QG2 VAL 99 - HB3 LEU 17 8.333% * 0.0150% (0.15 1.0 0.02 0.15) = 0.015% Peak 1403 (0.84, 1.75, 45.37 ppm): 8 chemical-shift based assignments, quality = 0.435, support = 4.38, residual support = 75.5: O QD2 LEU 17 - HB2 LEU 17 12.500% * 82.9365% (0.37 10.0 5.11 89.64) = 82.937% kept QG1 VAL 94 - HB2 LEU 17 12.500% * 8.9880% (0.61 1.0 1.34 8.81) = 8.988% kept QD1 ILE 29 - HB2 LEU 17 12.500% * 3.1182% (0.87 1.0 0.33 11.28) = 3.118% kept QG1 VAL 13 - HB2 LEU 17 12.500% * 2.8335% (0.87 1.0 0.30 0.02) = 2.834% kept QG2 VAL 13 - HB2 LEU 17 12.500% * 1.9581% (0.94 1.0 0.19 0.02) = 1.958% kept QD2 LEU 90 - HB2 LEU 17 12.500% * 0.0614% (0.28 1.0 0.02 0.19) = 0.061% QD1 LEU 90 - HB2 LEU 17 12.500% * 0.0551% (0.25 1.0 0.02 0.19) = 0.055% QG2 ILE 100 - HB2 LEU 17 12.500% * 0.0492% (0.22 1.0 0.02 0.02) = 0.049% Peak 1404 (4.36, 3.53, 45.27 ppm): 8 chemical-shift based assignments, quality = 0.879, support = 1.95, residual support = 13.3: O T HA2 GLY 26 - HA1 GLY 26 12.500% * 93.4463% (0.91 10.0 10.00 1.93 13.80) = 93.446% kept HA SER 27 - HA1 GLY 26 12.500% * 6.2112% (0.52 1.0 1.00 2.33 6.20) = 6.211% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1406 (3.91, 3.88, 45.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1407 (2.95, 4.29, 45.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1408 (-0.01, 4.29, 45.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 1412 (0.52, 4.30, 44.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1418 (1.76, 3.16, 43.82 ppm): 14 chemical-shift based assignments, quality = 0.42, support = 1.05, residual support = 7.72: T HB3 GLU- 18 - HD3 ARG+ 84 7.143% * 62.3707% (0.51 1.0 10.00 0.89 1.52) = 62.371% kept O T HG3 ARG+ 53 - HD2 ARG+ 53 7.143% * 20.9248% (0.08 10.0 10.00 1.69 31.56) = 20.925% kept HB2 LEU 17 - HD3 ARG+ 84 7.143% * 11.3564% (0.70 1.0 1.00 1.17 1.35) = 11.356% kept T HB3 GLU- 18 - HD2 ARG+ 53 7.143% * 3.2233% (0.13 1.0 10.00 0.18 0.02) = 3.223% kept HB ILE 48 - HD3 ARG+ 84 7.143% * 1.6745% (0.35 1.0 1.00 0.34 1.16) = 1.675% kept HB3 LEU 23 - HD3 ARG+ 84 7.143% * 0.1315% (0.47 1.0 1.00 0.02 0.02) = 0.132% HG3 ARG+ 53 - HD3 ARG+ 84 7.143% * 0.0814% (0.29 1.0 1.00 0.02 0.02) = 0.081% HG3 LYS+ 63 - HD3 ARG+ 84 7.143% * 0.0541% (0.19 1.0 1.00 0.02 0.02) = 0.054% HB2 LEU 17 - HD2 ARG+ 53 7.143% * 0.0500% (0.18 1.0 1.00 0.02 0.02) = 0.050% HG2 PRO 31 - HD3 ARG+ 84 7.143% * 0.0483% (0.17 1.0 1.00 0.02 0.02) = 0.048% HB3 LEU 23 - HD2 ARG+ 53 7.143% * 0.0338% (0.12 1.0 1.00 0.02 0.19) = 0.034% HB ILE 48 - HD2 ARG+ 53 7.143% * 0.0250% (0.09 1.0 1.00 0.02 0.02) = 0.025% HG3 LYS+ 63 - HD2 ARG+ 53 7.143% * 0.0139% (0.05 1.0 1.00 0.02 0.12) = 0.014% HG2 PRO 31 - HD2 ARG+ 53 7.143% * 0.0124% (0.04 1.0 1.00 0.02 0.02) = 0.012% Peak 1419 (0.93, 3.17, 43.84 ppm): 26 chemical-shift based assignments, quality = 0.787, support = 1.03, residual support = 8.91: O HB2 ARG+ 84 - HD3 ARG+ 84 3.846% * 89.3716% (0.80 10.0 1.10 9.90) = 89.372% kept QD1 LEU 17 - HD3 ARG+ 84 3.846% * 4.6741% (0.76 1.0 0.61 1.35) = 4.674% kept HG12 ILE 68 - HD3 ARG+ 84 3.846% * 3.7871% (0.85 1.0 0.44 0.02) = 3.787% kept QD1 LEU 67 - HD3 ARG+ 84 3.846% * 1.1370% (0.24 1.0 0.47 0.02) = 1.137% kept QG2 VAL 80 - HD3 ARG+ 84 3.846% * 0.1590% (0.78 1.0 0.02 0.02) = 0.159% QG2 VAL 105 - HD3 ARG+ 84 3.846% * 0.1590% (0.78 1.0 0.02 0.02) = 0.159% QG1 VAL 105 - HD3 ARG+ 84 3.846% * 0.1494% (0.73 1.0 0.02 0.02) = 0.149% QG2 VAL 62 - HD3 ARG+ 84 3.846% * 0.0906% (0.45 1.0 0.02 0.02) = 0.091% QG2 VAL 73 - HD3 ARG+ 84 3.846% * 0.0708% (0.35 1.0 0.02 0.02) = 0.071% QG2 ILE 29 - HD3 ARG+ 84 3.846% * 0.0647% (0.32 1.0 0.02 0.02) = 0.065% QG1 VAL 47 - HD3 ARG+ 84 3.846% * 0.0384% (0.19 1.0 0.02 0.02) = 0.038% HG12 ILE 68 - HD2 ARG+ 53 3.846% * 0.0308% (0.15 1.0 0.02 0.02) = 0.031% QG2 VAL 40 - HD3 ARG+ 84 3.846% * 0.0302% (0.15 1.0 0.02 0.12) = 0.030% QG2 VAL 87 - HD3 ARG+ 84 3.846% * 0.0302% (0.15 1.0 0.02 0.02) = 0.030% HB2 ARG+ 84 - HD2 ARG+ 53 3.846% * 0.0292% (0.14 1.0 0.02 0.02) = 0.029% QG2 VAL 80 - HD2 ARG+ 53 3.846% * 0.0285% (0.14 1.0 0.02 0.02) = 0.028% QG2 VAL 105 - HD2 ARG+ 53 3.846% * 0.0285% (0.14 1.0 0.02 0.02) = 0.028% QD1 LEU 17 - HD2 ARG+ 53 3.846% * 0.0276% (0.14 1.0 0.02 0.02) = 0.028% QG1 VAL 105 - HD2 ARG+ 53 3.846% * 0.0267% (0.13 1.0 0.02 0.02) = 0.027% QG2 VAL 62 - HD2 ARG+ 53 3.846% * 0.0162% (0.08 1.0 0.02 0.02) = 0.016% QG2 VAL 73 - HD2 ARG+ 53 3.846% * 0.0127% (0.06 1.0 0.02 0.02) = 0.013% QG2 ILE 29 - HD2 ARG+ 53 3.846% * 0.0116% (0.06 1.0 0.02 0.02) = 0.012% QD1 LEU 67 - HD2 ARG+ 53 3.846% * 0.0086% (0.04 1.0 0.02 0.02) = 0.009% QG1 VAL 47 - HD2 ARG+ 53 3.846% * 0.0069% (0.03 1.0 0.02 0.02) = 0.007% QG2 VAL 40 - HD2 ARG+ 53 3.846% * 0.0054% (0.03 1.0 0.02 0.02) = 0.005% QG2 VAL 87 - HD2 ARG+ 53 3.846% * 0.0054% (0.03 1.0 0.02 0.02) = 0.005% 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 (0.90) kept Peak 1438 (3.14, 3.14, 43.59 ppm): 1 diagonal assignment: HD2 ARG+ 53 - HD2 ARG+ 53 (0.78) kept Peak 1442 (1.78, 3.28, 43.42 ppm): 14 chemical-shift based assignments, quality = 0.918, support = 1.47, residual support = 25.5: O T HG3 ARG+ 53 - HD3 ARG+ 53 7.143% * 60.7345% (0.91 10.0 10.00 1.69 31.56) = 60.734% kept O HG3 LYS+ 63 - HE3 LYS+ 63 7.143% * 32.9076% (0.99 10.0 1.00 1.00 16.65) = 32.908% kept HB3 LYS+ 63 - HE3 LYS+ 63 7.143% * 5.2388% (0.72 1.0 1.00 2.19 16.65) = 5.239% kept T HG3 ARG+ 53 - HE3 LYS+ 63 7.143% * 0.6466% (0.97 1.0 10.00 0.02 0.12) = 0.647% HG2 PRO 31 - HE3 LYS+ 63 7.143% * 0.0654% (0.98 1.0 1.00 0.02 0.02) = 0.065% HG3 LYS+ 63 - HD3 ARG+ 53 7.143% * 0.0618% (0.93 1.0 1.00 0.02 0.12) = 0.062% HG2 PRO 31 - HD3 ARG+ 53 7.143% * 0.0614% (0.92 1.0 1.00 0.02 0.02) = 0.061% HB3 GLU- 18 - HE3 LYS+ 63 7.143% * 0.0528% (0.79 1.0 1.00 0.02 0.02) = 0.053% HB3 GLU- 18 - HD3 ARG+ 53 7.143% * 0.0496% (0.75 1.0 1.00 0.02 0.02) = 0.050% HB3 LYS+ 108 - HE3 LYS+ 63 7.143% * 0.0479% (0.72 1.0 1.00 0.02 0.02) = 0.048% HB3 LYS+ 108 - HD3 ARG+ 53 7.143% * 0.0450% (0.68 1.0 1.00 0.02 0.02) = 0.045% HB3 LYS+ 63 - HD3 ARG+ 53 7.143% * 0.0450% (0.68 1.0 1.00 0.02 0.12) = 0.045% HB3 ARG+ 84 - HE3 LYS+ 63 7.143% * 0.0225% (0.34 1.0 1.00 0.02 0.02) = 0.023% HB3 ARG+ 84 - HD3 ARG+ 53 7.143% * 0.0211% (0.32 1.0 1.00 0.02 0.02) = 0.021% 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 = 2.79, residual support = 9.91: O HN GLY 30 - HA1 GLY 30 50.000% * 99.8927% (0.72 10.0 2.80 9.92) = 99.893% kept HN THR 79 - HA1 GLY 30 50.000% * 0.1073% (0.77 1.0 0.02 0.14) = 0.107% Peak 1451 (8.25, 2.79, 42.86 ppm): 16 chemical-shift based assignments, quality = 0.408, support = 1.81, residual support = 8.66: O HN GLY 58 - HA1 GLY 58 6.250% * 55.0124% (0.41 10.0 2.32 9.48) = 55.012% kept O HN GLY 58 - HA2 GLY 58 6.250% * 36.3370% (0.39 10.0 1.39 9.48) = 36.337% kept HN GLN 16 - HA1 GLY 58 6.250% * 3.1316% (0.68 1.0 0.69 0.02) = 3.132% kept HN THR 106 - HA2 GLY 58 6.250% * 1.4948% (0.80 1.0 0.28 0.02) = 1.495% kept HN LEU 67 - HA1 GLY 58 6.250% * 1.1836% (0.51 1.0 0.35 0.02) = 1.184% kept HN ASN 89 - HA1 GLY 58 6.250% * 0.9252% (0.26 1.0 0.53 0.27) = 0.925% HN LYS+ 81 - HA2 GLY 58 6.250% * 0.7875% (0.49 1.0 0.24 0.02) = 0.788% HN GLU- 12 - HA1 GLY 58 6.250% * 0.6086% (0.61 1.0 0.15 0.02) = 0.609% HN THR 106 - HA1 GLY 58 6.250% * 0.1130% (0.85 1.0 0.02 0.02) = 0.113% HN GLN 16 - HA2 GLY 58 6.250% * 0.0861% (0.64 1.0 0.02 0.02) = 0.086% HN GLU- 12 - HA2 GLY 58 6.250% * 0.0780% (0.58 1.0 0.02 0.02) = 0.078% HN LYS+ 81 - HA1 GLY 58 6.250% * 0.0685% (0.51 1.0 0.02 0.02) = 0.069% HN LEU 67 - HA2 GLY 58 6.250% * 0.0652% (0.49 1.0 0.02 0.02) = 0.065% HN SER 49 - HA1 GLY 58 6.250% * 0.0386% (0.29 1.0 0.02 0.02) = 0.039% HN SER 49 - HA2 GLY 58 6.250% * 0.0367% (0.27 1.0 0.02 0.02) = 0.037% HN ASN 89 - HA2 GLY 58 6.250% * 0.0332% (0.25 1.0 0.02 0.27) = 0.033% Peak 1452 (8.25, 2.22, 42.86 ppm): 8 chemical-shift based assignments, quality = 0.205, support = 2.16, residual support = 8.7: O HN GLY 58 - HA1 GLY 58 12.500% * 91.6429% (0.21 10.0 2.32 9.48) = 91.643% kept HN GLN 16 - HA1 GLY 58 12.500% * 4.0674% (0.26 1.0 0.69 0.02) = 4.067% kept HN LEU 67 - HA1 GLY 58 12.500% * 1.9198% (0.25 1.0 0.35 0.02) = 1.920% kept HN ASN 89 - HA1 GLY 58 12.500% * 1.0706% (0.09 1.0 0.53 0.27) = 1.071% kept HN GLU- 12 - HA1 GLY 58 12.500% * 0.9612% (0.29 1.0 0.15 0.02) = 0.961% HN THR 106 - HA1 GLY 58 12.500% * 0.1604% (0.36 1.0 0.02 0.02) = 0.160% HN LYS+ 81 - HA1 GLY 58 12.500% * 0.1112% (0.25 1.0 0.02 0.02) = 0.111% HN SER 49 - HA1 GLY 58 12.500% * 0.0665% (0.15 1.0 0.02 0.02) = 0.067% Peak 1454 (7.33, 2.60, 42.79 ppm): 12 chemical-shift based assignments, quality = 0.672, support = 2.75, residual support = 31.7: O QD PHE 34 - HB2 PHE 34 8.333% * 61.7354% (0.58 10.0 3.26 37.49) = 61.735% kept QE PHE 34 - HB2 PHE 34 8.333% * 12.1655% (0.80 1.0 2.86 37.49) = 12.165% kept HZ PHE 34 - HB2 PHE 34 8.333% * 9.8017% (0.80 1.0 2.31 37.49) = 9.802% kept HZ2 TRP 51 - HA1 GLY 58 8.333% * 5.9350% (0.99 1.0 1.13 4.39) = 5.935% kept HN ARG+ 84 - HA1 GLY 58 8.333% * 4.9885% (0.60 1.0 1.57 0.56) = 4.989% kept HZ PHE 34 - HA1 GLY 58 8.333% * 2.0527% (0.99 1.0 0.39 0.02) = 2.053% kept QE PHE 34 - HA1 GLY 58 8.333% * 1.5713% (0.99 1.0 0.30 0.02) = 1.571% kept QD PHE 34 - HA1 GLY 58 8.333% * 1.4905% (0.72 1.0 0.39 0.02) = 1.491% kept HZ2 TRP 51 - HB2 PHE 34 8.333% * 0.0850% (0.80 1.0 0.02 0.02) = 0.085% HN VAL 47 - HA1 GLY 58 8.333% * 0.0679% (0.64 1.0 0.02 0.02) = 0.068% HN VAL 47 - HB2 PHE 34 8.333% * 0.0550% (0.52 1.0 0.02 2.89) = 0.055% HN ARG+ 84 - HB2 PHE 34 8.333% * 0.0516% (0.49 1.0 0.02 0.12) = 0.052% Peak 1455 (4.98, 3.48, 42.75 ppm): 6 chemical-shift based assignments, quality = 0.512, support = 4.03, residual support = 13.6: O HA PRO 31 - HA1 GLY 30 16.667% * 88.5411% (0.50 10.0 4.45 15.37) = 88.541% kept HA SER 69 - HA1 GLY 30 16.667% * 5.3909% (0.83 1.0 0.73 0.68) = 5.391% kept HA ILE 68 - HA1 GLY 30 16.667% * 3.1418% (0.43 1.0 0.83 0.02) = 3.142% kept HA ALA 33 - HA1 GLY 30 16.667% * 2.7682% (0.40 1.0 0.79 0.02) = 2.768% kept HA MET 97 - HA1 GLY 30 16.667% * 0.1306% (0.74 1.0 0.02 0.02) = 0.131% HA HIS+ 98 - HA1 GLY 30 16.667% * 0.0274% (0.15 1.0 0.02 0.02) = 0.027% Peak 1456 (4.73, 3.48, 42.75 ppm): 5 chemical-shift based assignments, quality = 0.387, support = 2.9, residual support = 9.43: O HA2 GLY 30 - HA1 GLY 30 20.000% * 94.9228% (0.37 10.0 3.02 9.92) = 94.923% kept HA LYS+ 20 - HA1 GLY 30 20.000% * 4.9123% (0.64 1.0 0.61 0.26) = 4.912% kept HA THR 39 - HA1 GLY 30 20.000% * 0.0795% (0.31 1.0 0.02 0.02) = 0.079% HA THR 61 - HA1 GLY 30 20.000% * 0.0528% (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 1458 (3.17, 2.60, 42.85 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.20) kept Peak 1459 (2.80, 2.22, 42.87 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.32) kept Peak 1461 (2.60, 2.43, 42.85 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.76) kept Peak 1464 (2.44, 2.59, 42.78 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.79) kept Peak 1466 (2.22, 2.79, 42.91 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.30) kept Peak 1467 (2.23, 2.22, 42.86 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.14) kept Peak 1469 (1.85, 2.23, 42.87 ppm): 6 chemical-shift based assignments, quality = 0.314, support = 0.422, residual support = 0.36: T HB2 PRO 104 - HA1 GLY 58 16.667% * 66.0286% (0.37 10.00 0.44 0.14) = 66.029% kept T HB2 PRO 59 - HA1 GLY 58 16.667% * 22.5254% (0.14 10.00 0.40 0.97) = 22.525% kept HB VAL 94 - HA1 GLY 58 16.667% * 6.2095% (0.35 1.00 0.44 0.02) = 6.210% kept HB3 LYS+ 60 - HA1 GLY 58 16.667% * 4.7187% (0.36 1.00 0.32 1.03) = 4.719% kept HB3 LYS+ 72 - HA1 GLY 58 16.667% * 0.2988% (0.37 1.00 0.02 0.02) = 0.299% HB2 LYS+ 66 - HA1 GLY 58 16.667% * 0.2189% (0.27 1.00 0.02 0.02) = 0.219% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 1470 (1.80, 2.79, 42.90 ppm): 18 chemical-shift based assignments, quality = 0.48, support = 0.769, residual support = 0.609: T HB3 ARG+ 84 - HA1 GLY 58 5.556% * 58.3076% (0.63 10.00 0.73 0.56) = 58.308% kept T HB3 GLU- 18 - HA1 GLY 58 5.556% * 33.0521% (0.27 10.00 0.97 0.78) = 33.052% kept HB3 ARG+ 84 - HA2 GLY 58 5.556% * 3.2606% (0.52 1.00 0.50 0.56) = 3.261% kept T HG3 ARG+ 53 - HA1 GLY 58 5.556% * 1.2078% (0.48 10.00 0.02 0.02) = 1.208% kept HB3 GLU- 18 - HA2 GLY 58 5.556% * 1.1485% (0.22 1.00 0.41 0.78) = 1.149% kept T HD3 LYS+ 72 - HA1 GLY 58 5.556% * 0.8928% (0.35 10.00 0.02 0.02) = 0.893% T HG3 LYS+ 108 - HA1 GLY 58 5.556% * 0.6146% (0.24 10.00 0.02 0.02) = 0.615% HB3 LYS+ 108 - HA1 GLY 58 5.556% * 0.1991% (0.78 1.00 0.02 0.02) = 0.199% HB3 LYS+ 63 - HA1 GLY 58 5.556% * 0.1991% (0.78 1.00 0.02 0.02) = 0.199% HB3 LYS+ 108 - HA2 GLY 58 5.556% * 0.1635% (0.64 1.00 0.02 0.02) = 0.164% HB3 LYS+ 63 - HA2 GLY 58 5.556% * 0.1635% (0.64 1.00 0.02 0.02) = 0.164% HG2 PRO 31 - HA1 GLY 58 5.556% * 0.1595% (0.63 1.00 0.02 0.02) = 0.159% HG3 LYS+ 63 - HA1 GLY 58 5.556% * 0.1522% (0.60 1.00 0.02 0.02) = 0.152% HG2 PRO 31 - HA2 GLY 58 5.556% * 0.1309% (0.52 1.00 0.02 0.02) = 0.131% HG3 LYS+ 63 - HA2 GLY 58 5.556% * 0.1250% (0.49 1.00 0.02 0.02) = 0.125% HG3 ARG+ 53 - HA2 GLY 58 5.556% * 0.0992% (0.39 1.00 0.02 0.02) = 0.099% HD3 LYS+ 72 - HA2 GLY 58 5.556% * 0.0733% (0.29 1.00 0.02 0.02) = 0.073% HG3 LYS+ 108 - HA2 GLY 58 5.556% * 0.0505% (0.20 1.00 0.02 0.02) = 0.050% Peak 1472 (8.30, 1.56, 42.51 ppm): 10 chemical-shift based assignments, quality = 0.754, support = 2.05, residual support = 6.65: HN ALA 91 - HB3 LEU 90 10.000% * 72.6817% (0.93 2.35 8.08) = 72.682% kept HN ASN 89 - HB3 LEU 90 10.000% * 16.0441% (0.32 1.52 4.78) = 16.044% kept HN ALA 91 - HB ILE 19 10.000% * 8.6969% (0.25 1.06 0.11) = 8.697% kept HN VAL 99 - HB ILE 19 10.000% * 1.3125% (0.16 0.25 0.02) = 1.312% kept HN ASP- 28 - HB3 LEU 90 10.000% * 0.4485% (0.68 0.02 0.02) = 0.449% HN VAL 99 - HB3 LEU 90 10.000% * 0.3996% (0.60 0.02 0.02) = 0.400% HN ASN 76 - HB3 LEU 90 10.000% * 0.1906% (0.29 0.02 0.02) = 0.191% HN ASP- 28 - HB ILE 19 10.000% * 0.1193% (0.18 0.02 0.02) = 0.119% HN ASN 89 - HB ILE 19 10.000% * 0.0561% (0.08 0.02 0.02) = 0.056% HN ASN 76 - HB ILE 19 10.000% * 0.0507% (0.08 0.02 0.02) = 0.051% 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): 26 chemical-shift based assignments, quality = 0.742, support = 2.72, residual support = 9.43: O HA LEU 90 - HB3 LEU 90 3.846% * 98.7553% (0.75 10.0 2.75 9.55) = 98.755% kept HA ILE 29 - HB3 LEU 90 3.846% * 0.2923% (0.46 1.0 0.10 0.02) = 0.292% HA THR 106 - HB3 LEU 90 3.846% * 0.1222% (0.93 1.0 0.02 0.02) = 0.122% HA ASP- 36 - HB3 LEU 90 3.846% * 0.1167% (0.89 1.0 0.02 0.02) = 0.117% HA VAL 94 - HB3 LEU 90 3.846% * 0.0649% (0.49 1.0 0.02 0.02) = 0.065% HD3 PRO 59 - HB3 LEU 90 3.846% * 0.0600% (0.46 1.0 0.02 0.02) = 0.060% HA ARG+ 84 - HB3 LEU 90 3.846% * 0.0600% (0.46 1.0 0.02 0.02) = 0.060% HA SER 85 - HB3 LEU 90 3.846% * 0.0600% (0.46 1.0 0.02 0.02) = 0.060% HA PRO 52 - HB3 LEU 90 3.846% * 0.0600% (0.46 1.0 0.02 0.02) = 0.060% HA VAL 65 - HB3 LEU 90 3.846% * 0.0507% (0.39 1.0 0.02 0.02) = 0.051% HA THR 106 - HB ILE 19 3.846% * 0.0410% (0.31 1.0 0.02 0.02) = 0.041% HA ASP- 36 - HB ILE 19 3.846% * 0.0391% (0.30 1.0 0.02 0.02) = 0.039% HA ALA 93 - HB3 LEU 90 3.846% * 0.0381% (0.29 1.0 0.02 0.02) = 0.038% HA LEU 90 - HB ILE 19 3.846% * 0.0331% (0.25 1.0 0.02 0.80) = 0.033% HA VAL 94 - HB ILE 19 3.846% * 0.0218% (0.17 1.0 0.02 0.17) = 0.022% HA GLU- 64 - HB3 LEU 90 3.846% * 0.0216% (0.16 1.0 0.02 0.02) = 0.022% HA ILE 29 - HB ILE 19 3.846% * 0.0201% (0.15 1.0 0.02 0.02) = 0.020% HA PRO 52 - HB ILE 19 3.846% * 0.0201% (0.15 1.0 0.02 0.02) = 0.020% HA ARG+ 84 - HB ILE 19 3.846% * 0.0201% (0.15 1.0 0.02 0.02) = 0.020% HD3 PRO 59 - HB ILE 19 3.846% * 0.0201% (0.15 1.0 0.02 0.02) = 0.020% HA SER 85 - HB ILE 19 3.846% * 0.0201% (0.15 1.0 0.02 0.02) = 0.020% HA GLU- 75 - HB3 LEU 90 3.846% * 0.0190% (0.14 1.0 0.02 1.95) = 0.019% HA VAL 65 - HB ILE 19 3.846% * 0.0170% (0.13 1.0 0.02 0.02) = 0.017% HA ALA 93 - HB ILE 19 3.846% * 0.0128% (0.10 1.0 0.02 0.02) = 0.013% HA GLU- 64 - HB ILE 19 3.846% * 0.0072% (0.06 1.0 0.02 0.02) = 0.007% HA GLU- 75 - HB ILE 19 3.846% * 0.0064% (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 HA1 GLY 58 - HA1 GLY 58 (0.02) kept Peak 1486 (2.99, 2.98, 42.50 ppm): 2 diagonal assignments: HE3 LYS+ 55 - HE3 LYS+ 55 (0.23) kept HA1 GLY 58 - HA1 GLY 58 (0.08) kept Peak 1488 (2.90, 1.57, 42.39 ppm): 10 chemical-shift based assignments, quality = 0.356, support = 0.538, residual support = 0.212: HA1 GLY 58 - HB ILE 19 10.000% * 31.3474% (0.42 1.00 1.01 0.36) = 31.347% kept T HE3 LYS+ 60 - HB ILE 19 10.000% * 25.6180% (0.12 10.00 0.29 0.02) = 25.618% kept HA1 GLY 58 - HB3 LEU 90 10.000% * 19.9193% (0.54 1.00 0.50 0.45) = 19.919% kept HB2 HIS+ 98 - HB3 LEU 90 10.000% * 8.9784% (0.48 1.00 0.26 0.02) = 8.978% kept HB2 HIS+ 98 - HB ILE 19 10.000% * 8.2853% (0.37 1.00 0.30 0.02) = 8.285% kept T HE3 LYS+ 60 - HB3 LEU 90 10.000% * 2.2885% (0.16 10.00 0.02 0.02) = 2.288% kept HB3 ASN 57 - HB3 LEU 90 10.000% * 1.0371% (0.70 1.00 0.02 0.02) = 1.037% kept HE3 LYS+ 81 - HB3 LEU 90 10.000% * 0.9659% (0.66 1.00 0.02 0.02) = 0.966% HB3 ASN 57 - HB ILE 19 10.000% * 0.8078% (0.55 1.00 0.02 0.02) = 0.808% HE3 LYS+ 81 - HB ILE 19 10.000% * 0.7523% (0.51 1.00 0.02 0.02) = 0.752% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 1496 (2.44, 2.43, 42.69 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.54) kept Peak 1499 (1.82, 3.12, 42.45 ppm): 24 chemical-shift based assignments, quality = 0.854, support = 1.24, residual support = 22.3: O T HG3 LYS+ 108 - HE3 LYS+ 108 4.167% * 51.6312% (0.95 10.0 10.00 1.00 12.87) = 51.631% kept O T HD3 LYS+ 72 - HE3 LYS+ 72 4.167% * 44.3523% (0.81 10.0 10.00 1.54 34.74) = 44.352% kept HB3 LYS+ 108 - HE3 LYS+ 108 4.167% * 1.6475% (0.24 1.0 1.00 2.54 12.87) = 1.647% kept T HB3 ARG+ 84 - HA1 GLY 58 4.167% * 0.6608% (0.03 1.0 10.00 0.73 0.56) = 0.661% T HD3 LYS+ 72 - HE3 LYS+ 108 4.167% * 0.4809% (0.88 1.0 10.00 0.02 0.02) = 0.481% T HG3 LYS+ 108 - HE3 LYS+ 72 4.167% * 0.4762% (0.87 1.0 10.00 0.02 0.02) = 0.476% T HB2 PRO 59 - HA1 GLY 58 4.167% * 0.4533% (0.04 1.0 10.00 0.40 0.97) = 0.453% HB2 PRO 59 - HE3 LYS+ 108 4.167% * 0.0398% (0.73 1.0 1.00 0.02 0.02) = 0.040% HB2 PRO 59 - HE3 LYS+ 72 4.167% * 0.0367% (0.67 1.0 1.00 0.02 0.02) = 0.037% HB3 ARG+ 84 - HE3 LYS+ 108 4.167% * 0.0316% (0.58 1.0 1.00 0.02 0.02) = 0.032% T HG3 LYS+ 108 - HA1 GLY 58 4.167% * 0.0295% (0.05 1.0 10.00 0.02 0.02) = 0.030% HB3 ARG+ 84 - HE3 LYS+ 72 4.167% * 0.0291% (0.53 1.0 1.00 0.02 0.02) = 0.029% T HD3 LYS+ 72 - HA1 GLY 58 4.167% * 0.0275% (0.05 1.0 10.00 0.02 0.02) = 0.028% HB2 LYS+ 66 - HE3 LYS+ 108 4.167% * 0.0214% (0.39 1.0 1.00 0.02 0.02) = 0.021% HB2 LYS+ 66 - HE3 LYS+ 72 4.167% * 0.0198% (0.36 1.0 1.00 0.02 0.02) = 0.020% HB3 LYS+ 63 - HE3 LYS+ 108 4.167% * 0.0130% (0.24 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 108 - HE3 LYS+ 72 4.167% * 0.0120% (0.22 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 63 - HE3 LYS+ 72 4.167% * 0.0120% (0.22 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 60 - HE3 LYS+ 108 4.167% * 0.0080% (0.15 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 60 - HE3 LYS+ 72 4.167% * 0.0074% (0.14 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 60 - HA1 GLY 58 4.167% * 0.0073% (0.01 1.0 1.00 0.32 1.03) = 0.007% HB2 LYS+ 66 - HA1 GLY 58 4.167% * 0.0012% (0.02 1.0 1.00 0.02 0.02) = 0.001% HB3 LYS+ 108 - HA1 GLY 58 4.167% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB3 LYS+ 63 - HA1 GLY 58 4.167% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1500 (1.80, 2.92, 42.39 ppm): 9 chemical-shift based assignments, quality = 0.749, support = 0.349, residual support = 0.269: HB3 LYS+ 63 - HE3 LYS+ 60 11.111% * 47.6135% (0.79 0.42 0.53) = 47.614% kept HB3 LYS+ 108 - HE3 LYS+ 60 11.111% * 40.9358% (0.79 0.36 0.02) = 40.936% kept HB3 GLU- 18 - HE3 LYS+ 60 11.111% * 2.7245% (0.18 0.10 0.02) = 2.724% kept HB3 ARG+ 84 - HE3 LYS+ 60 11.111% * 2.1891% (0.75 0.02 0.02) = 2.189% kept HG2 PRO 31 - HE3 LYS+ 60 11.111% * 1.5341% (0.53 0.02 0.02) = 1.534% kept HG3 LYS+ 63 - HE3 LYS+ 60 11.111% * 1.4383% (0.50 0.02 0.53) = 1.438% kept HD3 LYS+ 72 - HE3 LYS+ 60 11.111% * 1.4383% (0.50 0.02 0.02) = 1.438% kept HG3 ARG+ 53 - HE3 LYS+ 60 11.111% * 1.0632% (0.37 0.02 0.02) = 1.063% kept HG3 LYS+ 108 - HE3 LYS+ 60 11.111% * 1.0632% (0.37 0.02 0.02) = 1.063% kept Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 1503 (1.58, 2.90, 42.39 ppm): 10 chemical-shift based assignments, quality = 0.3, support = 0.878, residual support = 26.1: O T HD3 LYS+ 60 - HE3 LYS+ 60 10.000% * 83.6380% (0.30 10.0 10.00 1.00 31.24) = 83.638% kept T HB ILE 19 - HE3 LYS+ 60 10.000% * 14.3913% (0.36 1.0 10.00 0.29 0.02) = 14.391% kept T HD3 LYS+ 81 - HE3 LYS+ 60 10.000% * 0.7255% (0.26 1.0 10.00 0.02 0.02) = 0.726% T HD3 LYS+ 32 - HE3 LYS+ 60 10.000% * 0.6182% (0.22 1.0 10.00 0.02 0.02) = 0.618% T HB3 LEU 90 - HE3 LYS+ 60 10.000% * 0.3070% (0.11 1.0 10.00 0.02 0.02) = 0.307% HB3 LYS+ 32 - HE3 LYS+ 60 10.000% * 0.1273% (0.45 1.0 1.00 0.02 0.02) = 0.127% HG LEU 17 - HE3 LYS+ 60 10.000% * 0.0947% (0.34 1.0 1.00 0.02 0.02) = 0.095% HG12 ILE 29 - HE3 LYS+ 60 10.000% * 0.0383% (0.14 1.0 1.00 0.02 0.02) = 0.038% QB ALA 42 - HE3 LYS+ 60 10.000% * 0.0383% (0.14 1.0 1.00 0.02 0.02) = 0.038% HG13 ILE 29 - HE3 LYS+ 60 10.000% * 0.0213% (0.08 1.0 1.00 0.02 0.02) = 0.021% 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): 21 chemical-shift based assignments, quality = 0.463, support = 1.38, residual support = 24.6: O T HG3 LYS+ 72 - HE3 LYS+ 72 4.762% * 47.1921% (0.35 10.0 10.00 1.52 34.74) = 47.192% kept O HD3 LYS+ 108 - HE3 LYS+ 108 4.762% * 39.8742% (0.59 10.0 1.00 1.00 12.87) = 39.874% kept HB2 LYS+ 72 - HE3 LYS+ 72 4.762% * 8.7061% (0.45 1.0 1.00 2.84 34.74) = 8.706% kept QB ALA 70 - HE3 LYS+ 72 4.762% * 3.0355% (0.87 1.0 1.00 0.51 2.00) = 3.035% kept T HG3 LYS+ 72 - HE3 LYS+ 108 4.762% * 0.4935% (0.36 1.0 10.00 0.02 0.02) = 0.493% QB ALA 70 - HE3 LYS+ 108 4.762% * 0.1244% (0.91 1.0 1.00 0.02 0.02) = 0.124% HB3 LYS+ 44 - HE3 LYS+ 108 4.762% * 0.1214% (0.89 1.0 1.00 0.02 0.02) = 0.121% HB3 LYS+ 44 - HE3 LYS+ 72 4.762% * 0.1161% (0.85 1.0 1.00 0.02 0.02) = 0.116% HD3 LYS+ 108 - HE3 LYS+ 72 4.762% * 0.0763% (0.56 1.0 1.00 0.02 0.02) = 0.076% HB2 LYS+ 72 - HE3 LYS+ 108 4.762% * 0.0640% (0.47 1.0 1.00 0.02 0.02) = 0.064% HB3 LEU 67 - HE3 LYS+ 108 4.762% * 0.0541% (0.40 1.0 1.00 0.02 0.02) = 0.054% HB3 LEU 67 - HE3 LYS+ 72 4.762% * 0.0517% (0.38 1.0 1.00 0.02 0.22) = 0.052% T HG3 LYS+ 72 - HA1 GLY 58 4.762% * 0.0236% (0.02 1.0 10.00 0.02 0.02) = 0.024% HG13 ILE 48 - HE3 LYS+ 108 4.762% * 0.0230% (0.17 1.0 1.00 0.02 0.02) = 0.023% HG13 ILE 48 - HE3 LYS+ 72 4.762% * 0.0220% (0.16 1.0 1.00 0.02 0.14) = 0.022% QB ALA 70 - HA1 GLY 58 4.762% * 0.0059% (0.04 1.0 1.00 0.02 0.02) = 0.006% HB3 LYS+ 44 - HA1 GLY 58 4.762% * 0.0058% (0.04 1.0 1.00 0.02 0.02) = 0.006% HD3 LYS+ 108 - HA1 GLY 58 4.762% * 0.0038% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB2 LYS+ 72 - HA1 GLY 58 4.762% * 0.0031% (0.02 1.0 1.00 0.02 0.02) = 0.003% HB3 LEU 67 - HA1 GLY 58 4.762% * 0.0026% (0.02 1.0 1.00 0.02 0.02) = 0.003% HG13 ILE 48 - HA1 GLY 58 4.762% * 0.0011% (0.01 1.0 1.00 0.02 1.49) = 0.001% Peak 1510 (1.36, 2.90, 42.39 ppm): 8 chemical-shift based assignments, quality = 0.443, support = 0.309, residual support = 0.196: HB3 LYS+ 20 - HE3 LYS+ 60 12.500% * 44.4091% (0.45 0.35 0.12) = 44.409% kept HG3 ARG+ 22 - HE3 LYS+ 60 12.500% * 43.9909% (0.45 0.35 0.31) = 43.991% kept HB3 LEU 17 - HE3 LYS+ 60 12.500% * 2.6358% (0.47 0.02 0.02) = 2.636% kept HG3 LYS+ 81 - HE3 LYS+ 60 12.500% * 2.5494% (0.45 0.02 0.02) = 2.549% kept QB ALA 11 - HE3 LYS+ 60 12.500% * 2.4989% (0.44 0.02 0.02) = 2.499% kept HG2 LYS+ 78 - HE3 LYS+ 60 12.500% * 1.8146% (0.32 0.02 0.02) = 1.815% kept QG2 THR 39 - HE3 LYS+ 60 12.500% * 1.2858% (0.23 0.02 0.02) = 1.286% kept HG13 ILE 68 - HE3 LYS+ 60 12.500% * 0.8154% (0.14 0.02 0.25) = 0.815% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 1513 (8.97, 1.57, 42.16 ppm): 12 chemical-shift based assignments, quality = 0.901, support = 4.78, residual support = 74.5: O HN ILE 19 - HB ILE 19 8.333% * 81.7350% (0.92 10.0 5.39 90.57) = 81.735% kept HN MET 97 - HB ILE 19 8.333% * 9.5023% (0.92 1.0 2.33 3.69) = 9.502% kept HN LEU 17 - HB ILE 19 8.333% * 6.9442% (0.78 1.0 2.01 1.73) = 6.944% kept HN THR 96 - HB ILE 19 8.333% * 1.6869% (0.30 1.0 1.27 2.53) = 1.687% kept HN ARG+ 22 - HB ILE 19 8.333% * 0.0324% (0.37 1.0 0.02 0.53) = 0.032% HN MET 97 - HB3 LEU 90 8.333% * 0.0210% (0.24 1.0 0.02 0.02) = 0.021% HN ILE 19 - HB3 LEU 90 8.333% * 0.0210% (0.24 1.0 0.02 0.80) = 0.021% HN PHE 21 - HB ILE 19 8.333% * 0.0192% (0.22 1.0 0.02 5.62) = 0.019% HN LEU 17 - HB3 LEU 90 8.333% * 0.0178% (0.20 1.0 0.02 0.19) = 0.018% HN ARG+ 22 - HB3 LEU 90 8.333% * 0.0083% (0.09 1.0 0.02 0.02) = 0.008% HN THR 96 - HB3 LEU 90 8.333% * 0.0069% (0.08 1.0 0.02 0.02) = 0.007% HN PHE 21 - HB3 LEU 90 8.333% * 0.0049% (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 = 0.679, support = 3.67, residual support = 34.0: QE PHE 34 - HB ILE 19 7.143% * 46.9940% (0.78 4.07 34.23) = 46.994% kept HZ PHE 34 - HB ILE 19 7.143% * 30.7156% (0.78 2.66 34.23) = 30.716% kept QD PHE 34 - HB ILE 19 7.143% * 21.5032% (0.33 4.37 34.23) = 21.503% kept HZ2 TRP 51 - HB ILE 19 7.143% * 0.2309% (0.78 0.02 0.02) = 0.231% HE22 GLN 102 - HB ILE 19 7.143% * 0.0984% (0.33 0.02 0.02) = 0.098% HN VAL 47 - HB ILE 19 7.143% * 0.0802% (0.27 0.02 0.11) = 0.080% HN ARG+ 84 - HB ILE 19 7.143% * 0.0719% (0.24 0.02 0.02) = 0.072% HZ2 TRP 51 - HB3 LEU 90 7.143% * 0.0678% (0.23 0.02 0.02) = 0.068% QE PHE 34 - HB3 LEU 90 7.143% * 0.0678% (0.23 0.02 0.02) = 0.068% HZ PHE 34 - HB3 LEU 90 7.143% * 0.0678% (0.23 0.02 0.02) = 0.068% QD PHE 34 - HB3 LEU 90 7.143% * 0.0289% (0.10 0.02 0.02) = 0.029% HE22 GLN 102 - HB3 LEU 90 7.143% * 0.0289% (0.10 0.02 0.02) = 0.029% HN VAL 47 - HB3 LEU 90 7.143% * 0.0235% (0.08 0.02 0.02) = 0.024% HN ARG+ 84 - HB3 LEU 90 7.143% * 0.0211% (0.07 0.02 0.02) = 0.021% Peak 1522 (4.81, 1.56, 42.22 ppm): 4 chemical-shift based assignments, quality = 0.724, support = 1.52, residual support = 0.892: HB THR 39 - HB ILE 19 25.000% * 41.9402% (0.93 1.59 0.70) = 41.940% kept HA LEU 23 - HB ILE 19 25.000% * 34.3965% (0.71 1.70 1.16) = 34.397% kept HB THR 39 - HB3 LEU 90 25.000% * 13.2421% (0.42 1.12 0.47) = 13.242% kept HA LEU 23 - HB3 LEU 90 25.000% * 10.4212% (0.32 1.15 1.33) = 10.421% kept 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): 8 chemical-shift based assignments, quality = 0.588, support = 0.967, residual support = 8.94: O HD3 LYS+ 55 - HE3 LYS+ 55 12.500% * 93.0923% (0.59 10.0 1.00 9.60) = 93.092% kept HG3 ARG+ 84 - HE3 LYS+ 55 12.500% * 6.0301% (0.64 1.0 0.60 0.02) = 6.030% kept HB3 LYS+ 81 - HE3 LYS+ 55 12.500% * 0.2035% (0.65 1.0 0.02 0.02) = 0.203% HB3 MET 97 - HE3 LYS+ 55 12.500% * 0.1734% (0.55 1.0 0.02 0.02) = 0.173% HG13 ILE 19 - HE3 LYS+ 55 12.500% * 0.1662% (0.53 1.0 0.02 0.02) = 0.166% HB ILE 100 - HE3 LYS+ 55 12.500% * 0.1508% (0.48 1.0 0.02 0.02) = 0.151% HB3 LYS+ 66 - HE3 LYS+ 55 12.500% * 0.1426% (0.45 1.0 0.02 0.02) = 0.143% HB3 ARG+ 22 - HE3 LYS+ 55 12.500% * 0.0411% (0.13 1.0 0.02 0.02) = 0.041% Peak 1660 (1.40, 3.29, 42.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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, 2.61, 42.08 ppm): 1 chemical-shift based assignment, quality = 0.716, support = 2.5, residual support = 42.1: O HG3 LYS+ 20 - HE2 LYS+ 20 100.000% *100.0000% (0.72 10.0 2.50 42.15) = 100.000% kept Peak 1666 (0.94, 2.97, 42.26 ppm): 10 chemical-shift based assignments, quality = 0.361, support = 0.501, residual support = 0.292: HG12 ILE 68 - HE3 LYS+ 55 10.000% * 51.5427% (0.34 0.75 0.55) = 51.543% kept QG1 VAL 105 - HE3 LYS+ 55 10.000% * 27.8863% (0.40 0.34 0.02) = 27.886% kept HB2 ARG+ 84 - HE3 LYS+ 55 10.000% * 12.0260% (0.40 0.15 0.02) = 12.026% kept QD1 LEU 17 - HE3 LYS+ 55 10.000% * 1.6419% (0.40 0.02 0.02) = 1.642% kept QG2 VAL 105 - HE3 LYS+ 55 10.000% * 1.6310% (0.40 0.02 0.02) = 1.631% kept QG2 VAL 62 - HE3 LYS+ 55 10.000% * 1.3745% (0.34 0.02 0.02) = 1.374% kept QG2 VAL 73 - HE3 LYS+ 55 10.000% * 1.1949% (0.29 0.02 0.02) = 1.195% kept QG2 ILE 29 - HE3 LYS+ 55 10.000% * 1.1303% (0.28 0.02 0.02) = 1.130% kept QG2 VAL 80 - HE3 LYS+ 55 10.000% * 1.0645% (0.26 0.02 0.02) = 1.065% kept QG2 VAL 99 - HE3 LYS+ 55 10.000% * 0.5079% (0.12 0.02 0.02) = 0.508% Not enough total support, support cutoff is 0.60 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 1668 (0.93, 2.77, 42.02 ppm): 20 chemical-shift based assignments, quality = 0.159, support = 0.491, residual support = 0.134: HG12 ILE 68 - HE3 LYS+ 20 5.000% * 22.3382% (0.18 0.69 0.14) = 22.338% kept QG2 ILE 29 - HE3 LYS+ 20 5.000% * 19.4374% (0.12 0.89 0.29) = 19.437% kept QG2 VAL 105 - HE3 LYS+ 20 5.000% * 14.9852% (0.20 0.42 0.02) = 14.985% kept HB2 ARG+ 84 - HE3 LYS+ 20 5.000% * 13.6121% (0.20 0.38 0.02) = 13.612% kept QG2 VAL 62 - HE3 LYS+ 20 5.000% * 9.1610% (0.16 0.33 0.02) = 9.161% kept QG1 VAL 105 - HE3 LYS+ 20 5.000% * 7.1148% (0.20 0.20 0.02) = 7.115% kept QD1 LEU 17 - HE3 LYS+ 20 5.000% * 2.7541% (0.20 0.08 0.77) = 2.754% kept QG2 VAL 99 - HE3 LYS+ 20 5.000% * 1.8238% (0.05 0.20 0.87) = 1.824% kept QG2 VAL 105 - HE3 LYS+ 32 5.000% * 0.9881% (0.28 0.02 0.02) = 0.988% QD1 LEU 17 - HE3 LYS+ 32 5.000% * 0.9859% (0.28 0.02 0.21) = 0.986% HB2 ARG+ 84 - HE3 LYS+ 32 5.000% * 0.9859% (0.28 0.02 0.02) = 0.986% QG1 VAL 105 - HE3 LYS+ 32 5.000% * 0.9794% (0.28 0.02 0.02) = 0.979% HG12 ILE 68 - HE3 LYS+ 32 5.000% * 0.8862% (0.25 0.02 0.02) = 0.886% QG2 VAL 62 - HE3 LYS+ 32 5.000% * 0.7551% (0.21 0.02 0.02) = 0.755% QG2 VAL 80 - HE3 LYS+ 32 5.000% * 0.7175% (0.20 0.02 0.02) = 0.718% QG2 VAL 73 - HE3 LYS+ 32 5.000% * 0.6392% (0.18 0.02 0.61) = 0.639% QG2 ILE 29 - HE3 LYS+ 32 5.000% * 0.5993% (0.17 0.02 0.02) = 0.599% QG2 VAL 80 - HE3 LYS+ 20 5.000% * 0.5237% (0.15 0.02 0.02) = 0.524% QG2 VAL 73 - HE3 LYS+ 20 5.000% * 0.4665% (0.13 0.02 0.02) = 0.467% QG2 VAL 99 - HE3 LYS+ 32 5.000% * 0.2464% (0.07 0.02 0.50) = 0.246% Not enough quality. Peak unassigned. Peak 1669 (0.73, 3.00, 42.26 ppm): 8 chemical-shift based assignments, quality = 0.853, support = 0.409, residual support = 0.469: QD1 ILE 68 - HE3 LYS+ 55 12.500% * 85.1740% (0.89 0.48 0.55) = 85.174% kept QG1 VAL 40 - HE3 LYS+ 55 12.500% * 3.5635% (0.89 0.02 0.02) = 3.563% kept HG3 LYS+ 66 - HE3 LYS+ 55 12.500% * 2.9831% (0.75 0.02 0.02) = 2.983% kept HG LEU 74 - HE3 LYS+ 55 12.500% * 2.5934% (0.65 0.02 0.02) = 2.593% kept QG2 ILE 48 - HE3 LYS+ 55 12.500% * 2.3738% (0.59 0.02 0.02) = 2.374% kept QG2 ILE 101 - HE3 LYS+ 55 12.500% * 1.8706% (0.47 0.02 0.02) = 1.871% kept QG2 THR 96 - HE3 LYS+ 55 12.500% * 0.8905% (0.22 0.02 0.02) = 0.891% HG3 LYS+ 44 - HE3 LYS+ 55 12.500% * 0.5511% (0.14 0.02 0.02) = 0.551% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 1670 (0.69, 2.61, 42.15 ppm): 9 chemical-shift based assignments, quality = 0.853, support = 2.44, residual support = 28.7: T QD1 ILE 19 - HE2 LYS+ 20 11.111% * 81.8385% (0.87 10.00 2.41 30.28) = 81.839% kept HG12 ILE 19 - HE2 LYS+ 20 11.111% * 12.7086% (0.77 1.00 3.48 30.28) = 12.709% kept QG2 ILE 48 - HE2 LYS+ 20 11.111% * 2.1091% (0.94 1.00 0.47 0.02) = 2.109% kept QG2 VAL 94 - HE2 LYS+ 20 11.111% * 1.9414% (0.81 1.00 0.51 2.45) = 1.941% kept QG2 ILE 101 - HE2 LYS+ 20 11.111% * 1.1968% (0.94 1.00 0.27 0.02) = 1.197% kept QG2 ILE 68 - HE2 LYS+ 20 11.111% * 0.0762% (0.81 1.00 0.02 0.14) = 0.076% QG2 THR 96 - HE2 LYS+ 20 11.111% * 0.0731% (0.77 1.00 0.02 1.55) = 0.073% QG1 VAL 62 - HE2 LYS+ 20 11.111% * 0.0282% (0.30 1.00 0.02 0.02) = 0.028% HG LEU 74 - HE2 LYS+ 20 11.111% * 0.0282% (0.30 1.00 0.02 0.02) = 0.028% Peak 1671 (0.69, 1.57, 42.22 ppm): 18 chemical-shift based assignments, quality = 0.87, support = 5.35, residual support = 86.5: O QD1 ILE 19 - HB ILE 19 5.556% * 50.1177% (0.91 10.0 5.29 90.57) = 50.118% kept O HG12 ILE 19 - HB ILE 19 5.556% * 45.3483% (0.83 10.0 5.86 90.57) = 45.348% kept QG2 VAL 94 - HB ILE 19 5.556% * 3.1767% (0.86 1.0 1.35 0.17) = 3.177% kept QG2 ILE 48 - HB ILE 19 5.556% * 1.0467% (0.97 1.0 0.39 0.02) = 1.047% kept QG2 ILE 101 - HB ILE 19 5.556% * 0.0523% (0.95 1.0 0.02 0.02) = 0.052% QG2 ILE 68 - HB ILE 19 5.556% * 0.0471% (0.86 1.0 0.02 0.02) = 0.047% QG2 THR 96 - HB ILE 19 5.556% * 0.0415% (0.76 1.0 0.02 2.53) = 0.041% QG2 ILE 48 - HB3 LEU 90 5.556% * 0.0195% (0.36 1.0 0.02 0.02) = 0.020% QG2 ILE 101 - HB3 LEU 90 5.556% * 0.0192% (0.35 1.0 0.02 0.02) = 0.019% QG1 VAL 62 - HB ILE 19 5.556% * 0.0185% (0.34 1.0 0.02 0.02) = 0.019% QD1 ILE 19 - HB3 LEU 90 5.556% * 0.0184% (0.34 1.0 0.02 0.80) = 0.018% QG2 VAL 94 - HB3 LEU 90 5.556% * 0.0173% (0.32 1.0 0.02 0.02) = 0.017% QG2 ILE 68 - HB3 LEU 90 5.556% * 0.0173% (0.32 1.0 0.02 0.02) = 0.017% HG12 ILE 19 - HB3 LEU 90 5.556% * 0.0167% (0.30 1.0 0.02 0.80) = 0.017% QG2 THR 96 - HB3 LEU 90 5.556% * 0.0153% (0.28 1.0 0.02 0.02) = 0.015% HG LEU 74 - HB ILE 19 5.556% * 0.0151% (0.27 1.0 0.02 0.02) = 0.015% QG1 VAL 62 - HB3 LEU 90 5.556% * 0.0068% (0.12 1.0 0.02 0.02) = 0.007% HG LEU 74 - HB3 LEU 90 5.556% * 0.0056% (0.10 1.0 0.02 0.02) = 0.006% Peak 1672 (0.02, 1.57, 42.22 ppm): 2 chemical-shift based assignments, quality = 0.96, support = 5.16, residual support = 90.5: O QG2 ILE 19 - HB ILE 19 50.000% * 99.9586% (0.96 10.0 5.16 90.57) = 99.959% kept QG2 ILE 19 - HB3 LEU 90 50.000% * 0.0414% (0.40 1.0 0.02 0.80) = 0.041% Peak 1674 (8.88, 1.62, 41.82 ppm): 3 chemical-shift based assignments, quality = 0.661, support = 6.33, residual support = 83.2: O HN ILE 68 - HB ILE 68 33.333% * 90.8744% (0.64 10.0 6.82 91.50) = 90.874% kept HN ASP- 36 - HB ILE 68 33.333% * 9.1052% (0.90 1.0 1.43 0.69) = 9.105% kept HN GLN 102 - HB ILE 68 33.333% * 0.0204% (0.14 1.0 0.02 0.02) = 0.020% Peak 1675 (7.35, 2.80, 41.80 ppm): 7 chemical-shift based assignments, quality = 0.557, support = 2.53, residual support = 16.0: HZ PHE 34 - HE3 LYS+ 32 14.286% * 31.1573% (0.63 2.99 22.26) = 31.157% kept QE PHE 34 - HE3 LYS+ 32 14.286% * 27.1039% (0.63 2.60 22.26) = 27.104% kept HZ2 TRP 51 - HE3 LYS+ 32 14.286% * 22.4496% (0.63 2.15 1.63) = 22.450% kept QD PHE 34 - HE3 LYS+ 32 14.286% * 11.4992% (0.24 2.88 22.26) = 11.499% kept HE22 GLN 102 - HE3 LYS+ 32 14.286% * 7.1713% (0.35 1.21 1.55) = 7.171% kept HN VAL 47 - HE3 LYS+ 32 14.286% * 0.5620% (0.19 0.18 0.02) = 0.562% HN ARG+ 84 - HE3 LYS+ 32 14.286% * 0.0569% (0.17 0.02 0.02) = 0.057% Peak 1676 (4.98, 1.63, 41.87 ppm): 5 chemical-shift based assignments, quality = 0.688, support = 4.55, residual support = 70.4: O HA ILE 68 - HB ILE 68 20.000% * 75.4713% (0.64 10.0 5.12 91.50) = 75.471% kept HA SER 69 - HB ILE 68 20.000% * 16.8661% (0.94 1.0 3.07 7.90) = 16.866% kept HA MET 97 - HB ILE 68 20.000% * 7.5481% (0.61 1.0 2.12 0.46) = 7.548% kept HA PRO 31 - HB ILE 68 20.000% * 0.0840% (0.71 1.0 0.02 0.02) = 0.084% HA ALA 33 - HB ILE 68 20.000% * 0.0305% (0.26 1.0 0.02 0.02) = 0.031% Peak 1679 (3.74, 1.16, 41.79 ppm): 4 chemical-shift based assignments, quality = 0.867, support = 3.67, residual support = 146.9: O T HA LEU 43 - HB2 LEU 43 25.000% * 99.1428% (0.87 10.0 10.00 3.70 148.16) = 99.143% kept T HA LEU 43 - HB2 LEU 74 25.000% * 0.6891% (0.61 1.0 10.00 0.02 0.02) = 0.689% HD3 PRO 104 - HB2 LEU 43 25.000% * 0.0991% (0.87 1.0 1.00 0.02 0.02) = 0.099% HD3 PRO 104 - HB2 LEU 74 25.000% * 0.0689% (0.61 1.0 1.00 0.02 0.02) = 0.069% Peak 1682 (2.81, 2.80, 41.87 ppm): 1 diagonal assignment: HE3 LYS+ 32 - HE3 LYS+ 32 (0.93) kept Peak 1683 (2.73, 2.73, 41.82 ppm): 1 diagonal assignment: HE3 LYS+ 20 - HE3 LYS+ 20 (0.15) kept Peak 1684 (2.72, 2.54, 41.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1687 (2.63, 2.62, 41.91 ppm): 1 diagonal assignment: HE2 LYS+ 20 - HE2 LYS+ 20 (0.18) kept Peak 1688 (2.55, 2.73, 41.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1694 (2.11, 1.16, 41.76 ppm): 22 chemical-shift based assignments, quality = 0.825, support = 5.3, residual support = 130.4: O T HB3 LEU 43 - HB2 LEU 43 4.545% * 87.6754% (0.87 10.0 10.00 5.68 148.16) = 87.675% kept HB3 GLU- 75 - HB2 LEU 74 4.545% * 9.9580% (0.61 1.0 1.00 3.24 5.01) = 9.958% kept HB VAL 87 - HB2 LEU 43 4.545% * 0.9758% (0.80 1.0 1.00 0.24 0.02) = 0.976% T HB3 LEU 43 - HB2 LEU 74 4.545% * 0.6362% (0.63 1.0 10.00 0.02 0.02) = 0.636% HB3 GLU- 75 - HB2 LEU 43 4.545% * 0.0847% (0.84 1.0 1.00 0.02 0.02) = 0.085% HG3 GLU- 64 - HB2 LEU 43 4.545% * 0.0744% (0.74 1.0 1.00 0.02 0.02) = 0.074% HB VAL 65 - HB2 LEU 43 4.545% * 0.0670% (0.67 1.0 1.00 0.02 0.02) = 0.067% HB VAL 105 - HB2 LEU 43 4.545% * 0.0602% (0.60 1.0 1.00 0.02 0.02) = 0.060% HB VAL 87 - HB2 LEU 74 4.545% * 0.0587% (0.58 1.0 1.00 0.02 0.02) = 0.059% HG3 GLU- 64 - HB2 LEU 74 4.545% * 0.0540% (0.54 1.0 1.00 0.02 0.02) = 0.054% HB VAL 65 - HB2 LEU 74 4.545% * 0.0486% (0.48 1.0 1.00 0.02 0.02) = 0.049% HB VAL 105 - HB2 LEU 74 4.545% * 0.0437% (0.43 1.0 1.00 0.02 0.02) = 0.044% HG2 GLU- 45 - HB2 LEU 43 4.545% * 0.0427% (0.42 1.0 1.00 0.02 0.02) = 0.043% HG2 GLU- 64 - HB2 LEU 43 4.545% * 0.0414% (0.41 1.0 1.00 0.02 0.02) = 0.041% HG2 GLU- 45 - HB2 LEU 74 4.545% * 0.0310% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB3 PRO 35 - HB2 LEU 43 4.545% * 0.0302% (0.30 1.0 1.00 0.02 0.02) = 0.030% HG2 GLU- 64 - HB2 LEU 74 4.545% * 0.0300% (0.30 1.0 1.00 0.02 0.02) = 0.030% HB3 PRO 35 - HB2 LEU 74 4.545% * 0.0219% (0.22 1.0 1.00 0.02 0.99) = 0.022% HB2 ASP- 28 - HB2 LEU 43 4.545% * 0.0195% (0.19 1.0 1.00 0.02 0.02) = 0.020% HA1 GLY 58 - HB2 LEU 43 4.545% * 0.0187% (0.19 1.0 1.00 0.02 0.02) = 0.019% HB2 ASP- 28 - HB2 LEU 74 4.545% * 0.0142% (0.14 1.0 1.00 0.02 0.02) = 0.014% HA1 GLY 58 - HB2 LEU 74 4.545% * 0.0136% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 1696 (1.59, 2.80, 41.88 ppm): 6 chemical-shift based assignments, quality = 0.904, support = 2.43, residual support = 38.1: O HD3 LYS+ 32 - HE3 LYS+ 32 16.667% * 83.3942% (0.91 10.0 2.11 38.08) = 83.394% kept HB3 LYS+ 32 - HE3 LYS+ 32 16.667% * 16.5195% (0.88 1.0 4.08 38.08) = 16.519% kept HG3 LYS+ 78 - HE3 LYS+ 32 16.667% * 0.0279% (0.30 1.0 0.02 0.02) = 0.028% HB ILE 19 - HE3 LYS+ 32 16.667% * 0.0225% (0.25 1.0 0.02 1.57) = 0.023% HG LEU 17 - HE3 LYS+ 32 16.667% * 0.0201% (0.22 1.0 0.02 0.21) = 0.020% HD3 LYS+ 60 - HE3 LYS+ 32 16.667% * 0.0158% (0.17 1.0 0.02 0.02) = 0.016% Peak 1697 (1.63, 2.10, 41.79 ppm): 6 chemical-shift based assignments, quality = 0.779, support = 5.04, residual support = 147.5: O T HG LEU 43 - HB3 LEU 43 16.667% * 99.5544% (0.78 10.0 10.00 5.07 148.16) = 99.554% kept HG LEU 23 - HB3 LEU 43 16.667% * 0.1086% (0.85 1.0 1.00 0.02 0.02) = 0.109% HG12 ILE 101 - HB3 LEU 43 16.667% * 0.1029% (0.81 1.0 1.00 0.02 0.02) = 0.103% HB ILE 68 - HB3 LEU 43 16.667% * 0.0996% (0.78 1.0 1.00 0.02 1.23) = 0.100% HG3 LYS+ 78 - HB3 LEU 43 16.667% * 0.0696% (0.55 1.0 1.00 0.02 0.02) = 0.070% HB3 ARG+ 22 - HB3 LEU 43 16.667% * 0.0650% (0.51 1.0 1.00 0.02 0.02) = 0.065% Peak 1698 (1.44, 2.75, 41.95 ppm): 10 chemical-shift based assignments, quality = 0.227, support = 0.269, residual support = 0.0815: HG13 ILE 48 - HE3 LYS+ 20 10.000% * 50.0474% (0.16 0.47 0.02) = 50.047% kept QG2 THR 38 - HE3 LYS+ 20 10.000% * 20.6628% (0.32 0.10 0.29) = 20.663% kept HG LEU 90 - HE3 LYS+ 20 10.000% * 5.6181% (0.44 0.02 0.02) = 5.618% kept HG3 LYS+ 55 - HE3 LYS+ 20 10.000% * 4.8733% (0.38 0.02 0.02) = 4.873% kept HB3 LEU 67 - HE3 LYS+ 20 10.000% * 4.8631% (0.07 0.11 0.02) = 4.863% kept QB ALA 91 - HE3 LYS+ 20 10.000% * 3.6343% (0.28 0.02 0.02) = 3.634% kept HG3 LYS+ 60 - HE3 LYS+ 20 10.000% * 3.1807% (0.25 0.02 0.12) = 3.181% kept HG2 PRO 59 - HE3 LYS+ 20 10.000% * 3.1807% (0.25 0.02 0.11) = 3.181% kept HD3 LYS+ 44 - HE3 LYS+ 20 10.000% * 2.9558% (0.23 0.02 0.02) = 2.956% kept QB ALA 37 - HE3 LYS+ 20 10.000% * 0.9839% (0.08 0.02 0.02) = 0.984% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1699 (1.39, 2.62, 42.03 ppm): 11 chemical-shift based assignments, quality = 0.666, support = 2.55, residual support = 41.9: O HD3 LYS+ 20 - HE2 LYS+ 20 9.091% * 95.1265% (0.69 10.0 2.47 42.15) = 95.126% kept HB3 LYS+ 20 - HE2 LYS+ 20 9.091% * 4.3840% (0.14 1.0 4.57 42.15) = 4.384% kept HG13 ILE 68 - HE2 LYS+ 20 9.091% * 0.0842% (0.61 1.0 0.02 0.14) = 0.084% HG13 ILE 100 - HE2 LYS+ 20 9.091% * 0.0705% (0.51 1.0 0.02 0.02) = 0.070% QB ALA 93 - HE2 LYS+ 20 9.091% * 0.0705% (0.51 1.0 0.02 0.02) = 0.070% QG2 THR 39 - HE2 LYS+ 20 9.091% * 0.0667% (0.49 1.0 0.02 1.82) = 0.067% HG LEU 67 - HE2 LYS+ 20 9.091% * 0.0667% (0.49 1.0 0.02 0.02) = 0.067% HG2 LYS+ 78 - HE2 LYS+ 20 9.091% * 0.0472% (0.34 1.0 0.02 0.02) = 0.047% QB ALA 37 - HE2 LYS+ 20 9.091% * 0.0472% (0.34 1.0 0.02 0.02) = 0.047% QB ALA 11 - HE2 LYS+ 20 9.091% * 0.0216% (0.16 1.0 0.02 0.02) = 0.022% HD3 LYS+ 44 - HE2 LYS+ 20 9.091% * 0.0150% (0.11 1.0 0.02 0.02) = 0.015% Peak 1701 (1.20, 1.28, 41.97 ppm): 5 chemical-shift based assignments, quality = 0.422, support = 4.85, residual support = 104.7: O HB2 LEU 74 - HB3 LEU 74 20.000% * 96.5691% (0.42 10.0 5.00 107.93) = 96.569% kept HB2 LEU 67 - HB3 LEU 74 20.000% * 3.3214% (0.49 1.0 0.59 14.85) = 3.321% kept QG2 THR 106 - HB3 LEU 74 20.000% * 0.0442% (0.19 1.0 0.02 0.02) = 0.044% HG12 ILE 100 - HB3 LEU 74 20.000% * 0.0347% (0.15 1.0 0.02 0.02) = 0.035% HB2 LEU 43 - HB3 LEU 74 20.000% * 0.0306% (0.13 1.0 0.02 0.02) = 0.031% Peak 1703 (1.18, 1.17, 41.87 ppm): 2 diagonal assignments: HB2 LEU 74 - HB2 LEU 74 (0.95) kept HB2 LEU 43 - HB2 LEU 43 (0.66) kept Peak 1705 (1.17, 2.10, 41.75 ppm): 5 chemical-shift based assignments, quality = 0.836, support = 5.63, residual support = 146.8: O T HB2 LEU 43 - HB3 LEU 43 20.000% * 99.0775% (0.84 10.0 10.00 5.68 148.16) = 99.078% kept T HB2 LEU 74 - HB3 LEU 43 20.000% * 0.6866% (0.58 1.0 10.00 0.02 0.02) = 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): 12 chemical-shift based assignments, quality = 0.411, support = 0.193, residual support = 0.705: QG1 VAL 80 - HB2 LEU 74 8.333% * 31.6277% (0.38 0.27 0.58) = 31.628% kept QG2 VAL 87 - HB2 LEU 74 8.333% * 16.3688% (0.14 0.37 0.02) = 16.369% kept QG2 VAL 40 - HB2 LEU 74 8.333% * 11.0801% (0.14 0.25 0.02) = 11.080% kept QG1 VAL 80 - HB2 LEU 43 8.333% * 9.9898% (0.41 0.08 5.12) = 9.990% kept QG2 ILE 100 - HB2 LEU 43 8.333% * 5.7576% (0.94 0.02 0.02) = 5.758% kept QG2 VAL 13 - HB2 LEU 74 8.333% * 5.7123% (0.21 0.09 0.02) = 5.712% kept QD1 LEU 90 - HB2 LEU 43 8.333% * 5.6186% (0.91 0.02 0.02) = 5.619% kept QG2 ILE 100 - HB2 LEU 74 8.333% * 5.3707% (0.87 0.02 0.02) = 5.371% kept QD1 LEU 90 - HB2 LEU 74 8.333% * 5.2410% (0.85 0.02 0.02) = 5.241% kept QG2 VAL 13 - HB2 LEU 43 8.333% * 1.3551% (0.22 0.02 0.02) = 1.355% kept QG2 VAL 40 - HB2 LEU 43 8.333% * 0.9391% (0.15 0.02 2.79) = 0.939% QG2 VAL 87 - HB2 LEU 43 8.333% * 0.9391% (0.15 0.02 0.02) = 0.939% Not enough support, support cutoff is 0.30 Peak unassigned. 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): 7 chemical-shift based assignments, quality = 0.304, support = 0.207, residual support = 0.832: QG2 THR 96 - HE3 LYS+ 20 14.286% * 52.3264% (0.16 0.38 1.55) = 52.326% kept QG1 VAL 40 - HE3 LYS+ 20 14.286% * 9.9606% (0.56 0.02 0.02) = 9.961% kept QD1 ILE 68 - HE3 LYS+ 20 14.286% * 9.9385% (0.56 0.02 0.14) = 9.939% kept HG3 LYS+ 66 - HE3 LYS+ 20 14.286% * 7.9759% (0.45 0.02 0.02) = 7.976% kept HG LEU 74 - HE3 LYS+ 20 14.286% * 7.6122% (0.43 0.02 0.02) = 7.612% kept QG2 ILE 48 - HE3 LYS+ 20 14.286% * 6.7354% (0.38 0.02 0.02) = 6.735% kept QG2 ILE 101 - HE3 LYS+ 20 14.286% * 5.4510% (0.31 0.02 0.02) = 5.451% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1709 (0.73, 1.29, 41.94 ppm): 8 chemical-shift based assignments, quality = 0.424, support = 4.98, residual support = 99.7: O HG LEU 74 - HB3 LEU 74 12.500% * 92.2929% (0.42 10.0 5.35 107.93) = 92.293% kept QD1 ILE 68 - HB3 LEU 74 12.500% * 3.4920% (0.69 1.0 0.47 2.28) = 3.492% kept QG2 ILE 101 - HB3 LEU 74 12.500% * 2.5514% (0.32 1.0 0.74 0.13) = 2.551% kept QG2 ILE 48 - HB3 LEU 74 12.500% * 0.7401% (0.44 1.0 0.15 0.02) = 0.740% HG3 LYS+ 66 - HB3 LEU 74 12.500% * 0.7162% (0.65 1.0 0.10 0.43) = 0.716% QG1 VAL 40 - HB3 LEU 74 12.500% * 0.1469% (0.68 1.0 0.02 0.02) = 0.147% HG3 LYS+ 44 - HB3 LEU 74 12.500% * 0.0339% (0.16 1.0 0.02 0.02) = 0.034% QG2 THR 96 - HB3 LEU 74 12.500% * 0.0266% (0.12 1.0 0.02 0.02) = 0.027% Peak 1710 (0.75, 1.17, 41.89 ppm): 12 chemical-shift based assignments, quality = 0.652, support = 1.52, residual support = 8.31: HG3 LYS+ 44 - HB2 LEU 43 8.333% * 54.5647% (0.74 2.46 14.75) = 54.565% kept HG3 LYS+ 66 - HB2 LEU 74 8.333% * 10.5114% (0.78 0.45 0.43) = 10.511% kept HG3 LYS+ 66 - HB2 LEU 43 8.333% * 7.2176% (0.74 0.33 0.02) = 7.218% kept QD1 ILE 68 - HB2 LEU 74 8.333% * 7.1576% (0.43 0.55 2.28) = 7.158% kept QG2 ILE 48 - HB2 LEU 43 8.333% * 4.9273% (0.41 0.40 0.12) = 4.927% kept QG1 VAL 40 - HB2 LEU 74 8.333% * 3.3220% (0.40 0.28 0.02) = 3.322% kept QD1 ILE 68 - HB2 LEU 43 8.333% * 3.1035% (0.41 0.25 1.23) = 3.104% kept HG3 LYS+ 44 - HB2 LEU 74 8.333% * 2.9529% (0.78 0.13 0.02) = 2.953% kept QG2 ILE 101 - HB2 LEU 43 8.333% * 2.0519% (0.16 0.44 0.02) = 2.052% kept QG2 ILE 48 - HB2 LEU 74 8.333% * 2.0121% (0.43 0.15 0.02) = 2.012% kept QG2 ILE 101 - HB2 LEU 74 8.333% * 1.9519% (0.16 0.39 0.13) = 1.952% kept QG1 VAL 40 - HB2 LEU 43 8.333% * 0.2273% (0.38 0.02 2.79) = 0.227% Peak 1711 (0.70, 1.62, 41.87 ppm): 9 chemical-shift based assignments, quality = 0.747, support = 3.04, residual support = 69.4: O T QG2 ILE 68 - HB ILE 68 11.111% * 75.8652% (0.68 10.0 10.00 3.88 91.50) = 75.865% kept T QG2 ILE 101 - HB ILE 68 11.111% * 20.2647% (0.99 1.0 10.00 0.37 0.02) = 20.265% kept QG2 ILE 48 - HB ILE 68 11.111% * 3.1158% (0.95 1.0 1.00 0.59 0.02) = 3.116% kept QG2 VAL 94 - HB ILE 68 11.111% * 0.4252% (0.68 1.0 1.00 0.11 0.02) = 0.425% QG2 THR 96 - HB ILE 68 11.111% * 0.1020% (0.92 1.0 1.00 0.02 0.02) = 0.102% QD1 ILE 19 - HB ILE 68 11.111% * 0.0844% (0.76 1.0 1.00 0.02 0.02) = 0.084% HG12 ILE 19 - HB ILE 68 11.111% * 0.0714% (0.64 1.0 1.00 0.02 0.02) = 0.071% HG LEU 74 - HB ILE 68 11.111% * 0.0495% (0.44 1.0 1.00 0.02 2.28) = 0.050% QG1 VAL 62 - HB ILE 68 11.111% * 0.0219% (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 = 0.72, support = 4.6, residual support = 147.8: O T QD2 LEU 43 - HB3 LEU 43 50.000% * 99.7636% (0.72 10.0 10.00 4.62 148.16) = 99.764% kept T QD2 LEU 74 - HB3 LEU 43 50.000% * 0.2364% (0.17 1.0 10.00 0.02 0.02) = 0.236% Peak 1713 (0.47, 1.17, 41.84 ppm): 4 chemical-shift based assignments, quality = 0.813, support = 5.12, residual support = 132.4: O T QD2 LEU 43 - HB2 LEU 43 25.000% * 63.5013% (0.97 10.0 10.00 5.06 148.16) = 63.501% kept O T QD2 LEU 74 - HB2 LEU 74 25.000% * 35.5316% (0.55 10.0 10.00 5.37 107.93) = 35.532% kept T QD2 LEU 43 - HB2 LEU 74 25.000% * 0.5742% (0.88 1.0 10.00 0.02 0.02) = 0.574% T QD2 LEU 74 - HB2 LEU 43 25.000% * 0.3929% (0.60 1.0 10.00 0.02 0.02) = 0.393% Peak 1714 (-0.08, 1.17, 41.84 ppm): 2 chemical-shift based assignments, quality = 0.338, support = 5.79, residual support = 146.9: O T QD1 LEU 43 - HB2 LEU 43 50.000% * 99.1530% (0.34 10.0 10.00 5.84 148.16) = 99.153% kept T QD1 LEU 43 - HB2 LEU 74 50.000% * 0.8470% (0.29 1.0 10.00 0.02 0.02) = 0.847% Peak 1715 (9.32, 1.92, 41.46 ppm): 2 chemical-shift based assignments, quality = 0.264, support = 4.71, residual support = 48.9: O HN ILE 29 - HB ILE 29 50.000% * 86.6567% (0.25 10.0 5.08 54.10) = 86.657% kept HN ILE 29 - HB2 LEU 23 50.000% * 13.3433% (0.33 1.0 2.34 14.94) = 13.343% kept Peak 1717 (2.54, 2.54, 41.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1722 (1.92, 1.73, 41.57 ppm): 10 chemical-shift based assignments, quality = 0.857, support = 3.26, residual support = 75.3: O T HB2 LEU 23 - HB3 LEU 23 10.000% * 57.8620% (0.86 10.0 10.00 4.60 119.42) = 57.862% kept T HB ILE 29 - HB3 LEU 23 10.000% * 41.8210% (0.86 1.0 10.00 1.43 14.94) = 41.821% kept HB3 LYS+ 55 - HB3 LEU 23 10.000% * 0.0705% (0.24 1.0 1.00 0.09 0.02) = 0.071% HB3 GLU- 56 - HB3 LEU 23 10.000% * 0.0570% (0.84 1.0 1.00 0.02 0.02) = 0.057% HD3 LYS+ 63 - HB3 LEU 23 10.000% * 0.0473% (0.70 1.0 1.00 0.02 0.48) = 0.047% HB2 GLU- 10 - HB3 LEU 23 10.000% * 0.0451% (0.67 1.0 1.00 0.02 0.02) = 0.045% HB3 GLN 102 - HB3 LEU 23 10.000% * 0.0358% (0.53 1.0 1.00 0.02 0.92) = 0.036% HB2 GLU- 75 - HB3 LEU 23 10.000% * 0.0265% (0.39 1.0 1.00 0.02 1.32) = 0.026% HB3 ARG+ 53 - HB3 LEU 23 10.000% * 0.0201% (0.30 1.0 1.00 0.02 0.19) = 0.020% HG3 PRO 31 - HB3 LEU 23 10.000% * 0.0147% (0.22 1.0 1.00 0.02 0.02) = 0.015% Peak 1723 (1.73, 1.93, 41.56 ppm): 8 chemical-shift based assignments, quality = 0.45, support = 3.71, residual support = 89.7: O T HB3 LEU 23 - HB2 LEU 23 12.500% * 72.5909% (0.50 10.0 10.00 4.60 119.42) = 72.591% kept T HB3 LEU 23 - HB ILE 29 12.500% * 20.0004% (0.19 1.0 10.00 1.43 14.94) = 20.000% kept HB2 GLN 16 - HB2 LEU 23 12.500% * 6.1685% (0.73 1.0 1.00 1.17 0.92) = 6.168% kept HB2 GLN 16 - HB ILE 29 12.500% * 1.0612% (0.28 1.0 1.00 0.52 0.02) = 1.061% kept HB ILE 48 - HB2 LEU 23 12.500% * 0.0948% (0.65 1.0 1.00 0.02 0.02) = 0.095% HB ILE 48 - HB ILE 29 12.500% * 0.0365% (0.25 1.0 1.00 0.02 1.88) = 0.037% HB2 LEU 17 - HB2 LEU 23 12.500% * 0.0344% (0.24 1.0 1.00 0.02 0.19) = 0.034% HB2 LEU 17 - HB ILE 29 12.500% * 0.0133% (0.09 1.0 1.00 0.02 11.28) = 0.013% Peak 1724 (1.71, 1.73, 41.57 ppm): 3 chemical-shift based assignments, quality = 0.727, support = 0.842, residual support = 0.91: HB2 GLN 16 - HB3 LEU 23 33.333% * 98.5867% (0.74 0.85 0.92) = 98.587% kept HG13 ILE 19 - HB3 LEU 23 33.333% * 0.8210% (0.26 0.02 1.16) = 0.821% HD3 LYS+ 55 - HB3 LEU 23 33.333% * 0.5922% (0.19 0.02 0.02) = 0.592% Peak 1725 (7.54, 2.64, 41.23 ppm): 4 chemical-shift based assignments, quality = 0.529, support = 4.59, residual support = 32.3: O HN ASP- 82 - HB3 ASP- 82 25.000% * 99.4782% (0.53 10.0 4.61 32.49) = 99.478% kept HN VAL 65 - HB3 ASP- 82 25.000% * 0.4857% (0.29 1.0 0.18 0.02) = 0.486% HN ASP- 82 - HB3 ASP- 36 25.000% * 0.0234% (0.12 1.0 0.02 0.02) = 0.023% HN VAL 65 - HB3 ASP- 36 25.000% * 0.0127% (0.07 1.0 0.02 0.02) = 0.013% Peak 1726 (7.55, 2.17, 41.26 ppm): 2 chemical-shift based assignments, quality = 0.245, support = 3.84, residual support = 32.2: O HN ASP- 82 - HB2 ASP- 82 50.000% * 99.0037% (0.25 10.0 3.88 32.49) = 99.004% kept HN VAL 65 - HB2 ASP- 82 50.000% * 0.9963% (0.54 1.0 0.09 0.02) = 0.996% Peak 1727 (4.22, 2.65, 41.19 ppm): 26 chemical-shift based assignments, quality = 0.477, support = 2.99, residual support = 29.1: O T HA ASP- 82 - HB3 ASP- 82 3.846% * 89.3963% (0.48 10.0 10.00 3.32 32.49) = 89.396% kept HA GLU- 54 - HB3 ASP- 82 3.846% * 2.4540% (0.63 1.0 1.00 0.41 0.23) = 2.454% kept T HA GLU- 12 - HB3 ASP- 82 3.846% * 1.6954% (0.91 1.0 10.00 0.02 0.02) = 1.695% kept HA ALA 42 - HB3 ASP- 36 3.846% * 1.3603% (0.29 1.0 1.00 0.51 0.02) = 1.360% kept T HA GLU- 10 - HB3 ASP- 82 3.846% * 1.1881% (0.63 1.0 10.00 0.02 0.02) = 1.188% kept T HA LYS+ 108 - HB3 ASP- 82 3.846% * 1.1881% (0.63 1.0 10.00 0.02 0.02) = 1.188% kept T HA GLU- 12 - HB3 ASP- 36 3.846% * 0.5899% (0.32 1.0 10.00 0.02 0.02) = 0.590% T HA GLU- 10 - HB3 ASP- 36 3.846% * 0.4134% (0.22 1.0 10.00 0.02 0.11) = 0.413% T HA LYS+ 108 - HB3 ASP- 36 3.846% * 0.4134% (0.22 1.0 10.00 0.02 0.02) = 0.413% T HA ASP- 82 - HB3 ASP- 36 3.846% * 0.3110% (0.17 1.0 10.00 0.02 0.02) = 0.311% HA GLU- 18 - HB3 ASP- 82 3.846% * 0.1695% (0.91 1.0 1.00 0.02 0.02) = 0.170% HA SER 49 - HB3 ASP- 82 3.846% * 0.1647% (0.88 1.0 1.00 0.02 0.02) = 0.165% HA ALA 42 - HB3 ASP- 82 3.846% * 0.1534% (0.82 1.0 1.00 0.02 0.02) = 0.153% HB3 SER 49 - HB3 ASP- 82 3.846% * 0.0974% (0.52 1.0 1.00 0.02 0.02) = 0.097% HA PRO 59 - HB3 ASP- 82 3.846% * 0.0689% (0.37 1.0 1.00 0.02 0.02) = 0.069% HA GLU- 18 - HB3 ASP- 36 3.846% * 0.0590% (0.32 1.0 1.00 0.02 0.02) = 0.059% HA SER 49 - HB3 ASP- 36 3.846% * 0.0573% (0.31 1.0 1.00 0.02 0.02) = 0.057% HA GLU- 54 - HB3 ASP- 36 3.846% * 0.0413% (0.22 1.0 1.00 0.02 0.02) = 0.041% HA ALA 11 - HB3 ASP- 82 3.846% * 0.0363% (0.19 1.0 1.00 0.02 0.02) = 0.036% HB3 SER 49 - HB3 ASP- 36 3.846% * 0.0339% (0.18 1.0 1.00 0.02 0.02) = 0.034% HA ASN 76 - HB3 ASP- 82 3.846% * 0.0283% (0.15 1.0 1.00 0.02 0.02) = 0.028% HA GLU- 107 - HB3 ASP- 82 3.846% * 0.0249% (0.13 1.0 1.00 0.02 0.02) = 0.025% HA PRO 59 - HB3 ASP- 36 3.846% * 0.0240% (0.13 1.0 1.00 0.02 0.02) = 0.024% HA ALA 11 - HB3 ASP- 36 3.846% * 0.0126% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA ASN 76 - HB3 ASP- 36 3.846% * 0.0099% (0.05 1.0 1.00 0.02 0.02) = 0.010% HA GLU- 107 - HB3 ASP- 36 3.846% * 0.0086% (0.05 1.0 1.00 0.02 0.02) = 0.009% Peak 1728 (4.21, 2.17, 41.22 ppm): 10 chemical-shift based assignments, quality = 0.862, support = 2.92, residual support = 32.4: O HA ASP- 82 - HB2 ASP- 82 10.000% * 99.6855% (0.86 10.0 2.93 32.49) = 99.685% kept HA GLU- 12 - HB2 ASP- 82 10.000% * 0.0849% (0.74 1.0 0.02 0.02) = 0.085% HB3 SER 49 - HB2 ASP- 82 10.000% * 0.0676% (0.59 1.0 0.02 0.02) = 0.068% HA GLU- 18 - HB2 ASP- 82 10.000% * 0.0382% (0.33 1.0 0.02 0.02) = 0.038% HA SER 49 - HB2 ASP- 82 10.000% * 0.0347% (0.30 1.0 0.02 0.02) = 0.035% HA ALA 42 - HB2 ASP- 82 10.000% * 0.0283% (0.25 1.0 0.02 0.02) = 0.028% HA GLU- 10 - HB2 ASP- 82 10.000% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% HA LYS+ 108 - HB2 ASP- 82 10.000% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% HA GLU- 54 - HB2 ASP- 82 10.000% * 0.0157% (0.14 1.0 0.02 0.23) = 0.016% HA VAL 73 - HB2 ASP- 82 10.000% * 0.0138% (0.12 1.0 0.02 0.02) = 0.014% Peak 1730 (2.97, 1.92, 41.19 ppm): 6 chemical-shift based assignments, quality = 0.754, support = 3.51, residual support = 16.3: HB2 PHE 21 - HB ILE 29 16.667% * 72.1765% (0.90 4.33 21.88) = 72.176% kept HA1 GLY 58 - HB ILE 29 16.667% * 14.1434% (0.48 1.59 2.20) = 14.143% kept HB2 PHE 21 - HB2 LEU 23 16.667% * 5.7899% (0.21 1.48 0.94) = 5.790% kept HE3 LYS+ 55 - HB ILE 29 16.667% * 4.7117% (0.47 0.54 0.02) = 4.712% kept HA1 GLY 58 - HB2 LEU 23 16.667% * 3.1373% (0.11 1.50 4.84) = 3.137% kept HE3 LYS+ 55 - HB2 LEU 23 16.667% * 0.0413% (0.11 0.02 0.02) = 0.041% Peak 1732 (2.65, 2.17, 41.24 ppm): 4 chemical-shift based assignments, quality = 0.891, support = 3.14, residual support = 30.5: O T HB3 ASP- 82 - HB2 ASP- 82 25.000% * 93.7595% (0.90 10.0 10.00 3.28 32.49) = 93.760% kept HA1 GLY 58 - HB2 ASP- 82 25.000% * 5.3127% (0.90 1.0 1.00 1.13 0.27) = 5.313% kept T HB3 ASP- 36 - HB2 ASP- 82 25.000% * 0.9069% (0.87 1.0 10.00 0.02 0.02) = 0.907% HB2 ASP- 25 - HB2 ASP- 82 25.000% * 0.0209% (0.20 1.0 1.00 0.02 0.02) = 0.021% Peak 1733 (2.17, 2.65, 41.23 ppm): 26 chemical-shift based assignments, quality = 0.915, support = 3.2, residual support = 31.6: O T HB2 ASP- 82 - HB3 ASP- 82 3.846% * 97.2700% (0.94 10.0 10.00 3.28 32.49) = 97.270% kept HA1 GLY 58 - HB3 ASP- 82 3.846% * 0.9676% (0.30 1.0 1.00 0.63 0.27) = 0.968% HG2 GLN 102 - HB3 ASP- 82 3.846% * 0.3788% (0.96 1.0 1.00 0.08 0.02) = 0.379% T HB2 ASP- 82 - HB3 ASP- 36 3.846% * 0.2410% (0.23 1.0 10.00 0.02 0.02) = 0.241% HA1 GLY 58 - HB3 ASP- 36 3.846% * 0.2352% (0.07 1.0 1.00 0.61 0.28) = 0.235% HG2 GLU- 64 - HB3 ASP- 82 3.846% * 0.0993% (0.96 1.0 1.00 0.02 0.02) = 0.099% HG3 GLU- 64 - HB3 ASP- 82 3.846% * 0.0971% (0.94 1.0 1.00 0.02 0.02) = 0.097% HG2 PRO 104 - HB3 ASP- 82 3.846% * 0.0892% (0.86 1.0 1.00 0.02 0.02) = 0.089% HG2 GLN 16 - HB3 ASP- 82 3.846% * 0.0859% (0.83 1.0 1.00 0.02 0.02) = 0.086% HB3 PRO 104 - HB3 ASP- 82 3.846% * 0.0823% (0.80 1.0 1.00 0.02 0.02) = 0.082% HB VAL 99 - HB3 ASP- 82 3.846% * 0.0786% (0.76 1.0 1.00 0.02 0.02) = 0.079% HB3 PRO 35 - HB3 ASP- 82 3.846% * 0.0624% (0.60 1.0 1.00 0.02 0.02) = 0.062% HB VAL 47 - HB3 ASP- 82 3.846% * 0.0423% (0.41 1.0 1.00 0.02 0.34) = 0.042% HB3 GLU- 75 - HB3 ASP- 82 3.846% * 0.0419% (0.41 1.0 1.00 0.02 0.02) = 0.042% HB3 LYS+ 78 - HB3 ASP- 82 3.846% * 0.0286% (0.28 1.0 1.00 0.02 1.18) = 0.029% HG2 GLU- 64 - HB3 ASP- 36 3.846% * 0.0246% (0.24 1.0 1.00 0.02 0.02) = 0.025% HG2 GLN 102 - HB3 ASP- 36 3.846% * 0.0246% (0.24 1.0 1.00 0.02 0.02) = 0.025% HG3 GLU- 64 - HB3 ASP- 36 3.846% * 0.0241% (0.23 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 104 - HB3 ASP- 36 3.846% * 0.0221% (0.21 1.0 1.00 0.02 0.02) = 0.022% HG2 GLN 16 - HB3 ASP- 36 3.846% * 0.0213% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 104 - HB3 ASP- 36 3.846% * 0.0204% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB VAL 99 - HB3 ASP- 36 3.846% * 0.0195% (0.19 1.0 1.00 0.02 0.02) = 0.019% HB3 PRO 35 - HB3 ASP- 36 3.846% * 0.0154% (0.15 1.0 1.00 0.02 1.41) = 0.015% HB VAL 47 - HB3 ASP- 36 3.846% * 0.0105% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB3 GLU- 75 - HB3 ASP- 36 3.846% * 0.0104% (0.10 1.0 1.00 0.02 0.13) = 0.010% HB3 LYS+ 78 - HB3 ASP- 36 3.846% * 0.0071% (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 = 0.907, support = 4.69, residual support = 52.2: O QG2 ILE 29 - HB ILE 29 5.000% * 95.4983% (0.93 10.0 4.86 54.10) = 95.498% kept QD1 LEU 17 - HB ILE 29 5.000% * 2.1407% (0.50 1.0 0.84 11.28) = 2.141% kept QG2 ILE 29 - HB2 LEU 23 5.000% * 1.7677% (0.26 1.0 1.32 14.94) = 1.768% kept QG2 VAL 73 - HB ILE 29 5.000% * 0.0940% (0.92 1.0 0.02 0.02) = 0.094% QG2 VAL 62 - HB ILE 29 5.000% * 0.0874% (0.85 1.0 0.02 0.02) = 0.087% QG2 VAL 99 - HB ILE 29 5.000% * 0.0874% (0.85 1.0 0.02 0.02) = 0.087% QG1 VAL 105 - HB ILE 29 5.000% * 0.0552% (0.54 1.0 0.02 0.02) = 0.055% QG2 VAL 105 - HB ILE 29 5.000% * 0.0474% (0.46 1.0 0.02 0.02) = 0.047% HB2 ARG+ 84 - HB ILE 29 5.000% * 0.0437% (0.43 1.0 0.02 0.02) = 0.044% QG2 VAL 73 - HB2 LEU 23 5.000% * 0.0263% (0.26 1.0 0.02 0.02) = 0.026% QG2 VAL 62 - HB2 LEU 23 5.000% * 0.0244% (0.24 1.0 0.02 0.02) = 0.024% QG2 VAL 99 - HB2 LEU 23 5.000% * 0.0244% (0.24 1.0 0.02 12.21) = 0.024% HG12 ILE 68 - HB ILE 29 5.000% * 0.0243% (0.24 1.0 0.02 0.02) = 0.024% QG1 VAL 105 - HB2 LEU 23 5.000% * 0.0154% (0.15 1.0 0.02 0.11) = 0.015% QD1 LEU 17 - HB2 LEU 23 5.000% * 0.0143% (0.14 1.0 0.02 0.19) = 0.014% QG2 VAL 105 - HB2 LEU 23 5.000% * 0.0133% (0.13 1.0 0.02 0.11) = 0.013% QG2 VAL 80 - HB ILE 29 5.000% * 0.0132% (0.13 1.0 0.02 0.02) = 0.013% HB2 ARG+ 84 - HB2 LEU 23 5.000% * 0.0122% (0.12 1.0 0.02 0.02) = 0.012% HG12 ILE 68 - HB2 LEU 23 5.000% * 0.0068% (0.07 1.0 0.02 0.02) = 0.007% 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): 6 chemical-shift based assignments, quality = 0.415, support = 0.536, residual support = 0.228: HA1 GLY 58 - HB3 ASP- 36 16.667% * 63.6827% (0.52 0.61 0.28) = 63.683% kept HA1 GLY 58 - HB3 ASP- 82 16.667% * 18.0700% (0.14 0.63 0.27) = 18.070% kept HB2 PHE 21 - HB3 ASP- 82 16.667% * 7.5474% (0.25 0.15 0.02) = 7.547% kept HE3 LYS+ 55 - HB3 ASP- 82 16.667% * 5.8760% (0.09 0.32 0.02) = 5.876% kept HB2 PHE 21 - HB3 ASP- 36 16.667% * 3.5223% (0.88 0.02 0.02) = 3.522% kept HE3 LYS+ 55 - HB3 ASP- 36 16.667% * 1.3016% (0.33 0.02 0.02) = 1.302% kept Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 1739 (1.85, 1.67, 40.74 ppm): 7 chemical-shift based assignments, quality = 0.78, support = 0.509, residual support = 1.06: T HB3 LYS+ 60 - HB ILE 100 14.286% * 88.1997% (0.80 10.00 0.56 1.08) = 88.200% kept HB2 PRO 59 - HB ILE 100 14.286% * 3.3250% (0.46 1.00 0.37 0.24) = 3.325% kept T HB3 LYS+ 72 - HB ILE 100 14.286% * 3.1244% (0.79 10.00 0.02 0.02) = 3.124% kept T HB2 LYS+ 66 - HB ILE 100 14.286% * 2.8586% (0.72 10.00 0.02 3.43) = 2.859% kept HB VAL 94 - HB ILE 100 14.286% * 2.1355% (0.65 1.00 0.17 0.02) = 2.136% kept HB2 PRO 104 - HB ILE 100 14.286% * 0.3076% (0.78 1.00 0.02 0.02) = 0.308% HG3 LYS+ 108 - HB ILE 100 14.286% * 0.0492% (0.12 1.00 0.02 0.02) = 0.049% Peak 1740 (1.66, 2.65, 41.00 ppm): 16 chemical-shift based assignments, quality = 0.375, support = 2.14, residual support = 7.04: HB3 LYS+ 81 - HB3 ASP- 82 6.250% * 47.5474% (0.33 3.51 13.94) = 47.547% kept HB3 ARG+ 22 - HB3 ASP- 82 6.250% * 25.2884% (0.41 1.51 1.49) = 25.288% kept HB3 LYS+ 66 - HB3 ASP- 82 6.250% * 8.4543% (0.50 0.42 0.44) = 8.454% kept HG3 ARG+ 84 - HB3 ASP- 82 6.250% * 7.3765% (0.35 0.51 0.02) = 7.376% kept HG3 ARG+ 84 - HB3 ASP- 36 6.250% * 2.6726% (0.61 0.11 0.02) = 2.673% kept HB3 ARG+ 22 - HB3 ASP- 36 6.250% * 2.5660% (0.71 0.09 0.02) = 2.566% kept HB ILE 100 - HB3 ASP- 82 6.250% * 1.5101% (0.49 0.08 0.02) = 1.510% kept HD3 LYS+ 55 - HB3 ASP- 82 6.250% * 1.3362% (0.14 0.23 0.02) = 1.336% kept HB3 LYS+ 66 - HB3 ASP- 36 6.250% * 0.6934% (0.86 0.02 0.02) = 0.693% HB ILE 100 - HB3 ASP- 36 6.250% * 0.6796% (0.84 0.02 0.02) = 0.680% HB3 MET 97 - HB3 ASP- 36 6.250% * 0.6232% (0.77 0.02 0.02) = 0.623% HB3 LYS+ 81 - HB3 ASP- 36 6.250% * 0.4648% (0.57 0.02 0.02) = 0.465% HB3 MET 97 - HB3 ASP- 82 6.250% * 0.3628% (0.45 0.02 0.02) = 0.363% HD3 LYS+ 55 - HB3 ASP- 36 6.250% * 0.1998% (0.25 0.02 0.02) = 0.200% HG13 ILE 19 - HB3 ASP- 36 6.250% * 0.1422% (0.18 0.02 0.02) = 0.142% HG13 ILE 19 - HB3 ASP- 82 6.250% * 0.0828% (0.10 0.02 0.02) = 0.083% Peak 1742 (9.26, 1.67, 40.65 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 4.25, residual support = 70.5: O HN ILE 100 - HB ILE 100 100.000% *100.0000% (0.76 10.0 4.25 70.49) = 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): 12 chemical-shift based assignments, quality = 0.933, support = 4.17, residual support = 69.6: O HG13 ILE 100 - HB ILE 100 8.333% * 98.8002% (0.94 10.0 4.22 70.49) = 98.800% kept HG LEU 67 - HB ILE 100 8.333% * 0.5367% (0.94 1.0 0.11 4.71) = 0.537% HG13 ILE 68 - HB ILE 100 8.333% * 0.2042% (0.39 1.0 0.10 0.18) = 0.204% QB ALA 93 - HB ILE 100 8.333% * 0.0988% (0.94 1.0 0.02 0.02) = 0.099% QB ALA 37 - HB ILE 100 8.333% * 0.0912% (0.87 1.0 0.02 0.02) = 0.091% HD3 LYS+ 20 - HB ILE 100 8.333% * 0.0825% (0.79 1.0 0.02 0.02) = 0.083% HD3 LYS+ 44 - HB ILE 100 8.333% * 0.0520% (0.50 1.0 0.02 0.02) = 0.052% QB ALA 91 - HB ILE 100 8.333% * 0.0406% (0.39 1.0 0.02 0.02) = 0.041% QG2 THR 38 - HB ILE 100 8.333% * 0.0337% (0.32 1.0 0.02 0.02) = 0.034% QG2 THR 39 - HB ILE 100 8.333% * 0.0246% (0.24 1.0 0.02 0.02) = 0.025% HG3 LYS+ 55 - HB ILE 100 8.333% * 0.0220% (0.21 1.0 0.02 0.02) = 0.022% HG2 LYS+ 78 - HB ILE 100 8.333% * 0.0134% (0.13 1.0 0.02 0.02) = 0.013% Peak 1748 (1.22, 1.66, 40.74 ppm): 2 chemical-shift based assignments, quality = 0.826, support = 3.96, residual support = 68.1: O HG12 ILE 100 - HB ILE 100 50.000% * 96.3536% (0.83 10.0 4.08 70.49) = 96.354% kept HB2 LEU 67 - HB ILE 100 50.000% * 3.6464% (0.64 1.0 0.99 4.71) = 3.646% kept Peak 1749 (0.86, 1.67, 40.67 ppm): 5 chemical-shift based assignments, quality = 0.818, support = 4.55, residual support = 68.9: O T QG2 ILE 100 - HB ILE 100 20.000% * 97.8032% (0.82 10.0 10.00 4.64 70.49) = 97.803% kept QG2 VAL 13 - HB ILE 100 20.000% * 2.0454% (0.65 1.0 1.00 0.53 0.25) = 2.045% kept QD1 LEU 90 - HB ILE 100 20.000% * 0.1011% (0.85 1.0 1.00 0.02 0.02) = 0.101% QG1 VAL 13 - HB ILE 100 20.000% * 0.0251% (0.21 1.0 1.00 0.02 0.25) = 0.025% QD1 ILE 29 - HB ILE 100 20.000% * 0.0251% (0.21 1.0 1.00 0.02 0.02) = 0.025% Peak 1750 (4.60, 3.10, 40.11 ppm): 3 chemical-shift based assignments, quality = 0.751, support = 2.31, residual support = 22.5: O HA ASP- 25 - HB3 ASP- 25 33.333% * 99.9154% (0.75 10.0 2.31 22.49) = 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 = 22.5: O HA ASP- 25 - HB2 ASP- 25 33.333% * 99.9278% (0.80 10.0 2.31 22.49) = 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 = 0.757, support = 1.96, residual support = 22.0: O T HB2 ASP- 25 - HB3 ASP- 25 16.667% * 97.5948% (0.76 10.0 10.00 2.00 22.49) = 97.595% kept HB3 ASP- 82 - HB3 ASP- 25 16.667% * 1.1678% (0.35 1.0 1.00 0.52 0.02) = 1.168% kept T HA1 GLY 58 - HB3 ASP- 25 16.667% * 1.0877% (0.85 1.0 10.00 0.02 0.02) = 1.088% kept HE2 LYS+ 20 - HB3 ASP- 25 16.667% * 0.0790% (0.62 1.0 1.00 0.02 0.02) = 0.079% HB2 PHE 34 - HB3 ASP- 25 16.667% * 0.0371% (0.29 1.0 1.00 0.02 0.02) = 0.037% HB3 ASP- 36 - HB3 ASP- 25 16.667% * 0.0336% (0.26 1.0 1.00 0.02 0.02) = 0.034% 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 = 0.684, support = 1.99, residual support = 22.4: O T HB3 ASP- 25 - HB2 ASP- 25 20.000% * 99.5737% (0.69 10.0 10.00 2.00 22.49) = 99.574% kept T HA1 GLY 58 - HB2 ASP- 25 20.000% * 0.2911% (0.20 1.0 10.00 0.02 0.02) = 0.291% HA VAL 47 - HB2 ASP- 25 20.000% * 0.0489% (0.34 1.0 1.00 0.02 0.02) = 0.049% HE3 LYS+ 72 - HB2 ASP- 25 20.000% * 0.0450% (0.31 1.0 1.00 0.02 0.02) = 0.045% HE3 LYS+ 108 - HB2 ASP- 25 20.000% * 0.0413% (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): 2 chemical-shift based assignments, quality = 0.556, support = 1.32, residual support = 2.86: T HA1 GLY 58 - HB2 PHE 21 50.000% * 94.7384% (0.57 10.00 1.31 2.52) = 94.738% kept HE3 LYS+ 20 - HB2 PHE 21 50.000% * 5.2616% (0.26 1.00 1.62 8.87) = 5.262% kept Peak 1758 (0.95, 2.97, 39.90 ppm): 10 chemical-shift based assignments, quality = 0.285, support = 2.12, residual support = 12.9: QG2 ILE 29 - HB2 PHE 21 10.000% * 57.7630% (0.33 3.23 21.88) = 57.763% kept QG2 VAL 99 - HB2 PHE 21 10.000% * 9.6138% (0.28 0.64 2.20) = 9.614% kept QG2 VAL 105 - HB2 PHE 21 10.000% * 9.3421% (0.19 0.92 0.42) = 9.342% kept HB2 ARG+ 84 - HB2 PHE 21 10.000% * 6.7813% (0.17 0.72 0.28) = 6.781% kept QG2 VAL 62 - HB2 PHE 21 10.000% * 6.2950% (0.31 0.37 0.10) = 6.295% kept QG1 VAL 105 - HB2 PHE 21 10.000% * 5.0610% (0.21 0.44 0.42) = 5.061% kept QD1 LEU 17 - HB2 PHE 21 10.000% * 3.7191% (0.20 0.34 0.02) = 3.719% kept HG12 ILE 68 - HB2 PHE 21 10.000% * 1.0063% (0.10 0.18 0.47) = 1.006% kept QG2 VAL 73 - HB2 PHE 21 10.000% * 0.3557% (0.33 0.02 0.02) = 0.356% QG2 VAL 80 - HB2 PHE 21 10.000% * 0.0629% (0.06 0.02 0.02) = 0.063% Peak 1759 (0.95, 2.74, 39.91 ppm): 9 chemical-shift based assignments, quality = 0.202, support = 1.37, residual support = 11.2: QG2 ILE 29 - HB3 PHE 21 11.111% * 49.1471% (0.24 2.16 21.88) = 49.147% kept QG2 VAL 99 - HB3 PHE 21 11.111% * 14.6121% (0.24 0.64 2.20) = 14.612% kept QG2 VAL 62 - HB3 PHE 21 11.111% * 12.5823% (0.21 0.63 0.10) = 12.582% kept QG2 VAL 105 - HB3 PHE 21 11.111% * 8.0338% (0.10 0.81 0.42) = 8.034% kept HB2 ARG+ 84 - HB3 PHE 21 11.111% * 5.5140% (0.09 0.61 0.28) = 5.514% kept QG1 VAL 105 - HB3 PHE 21 11.111% * 5.1106% (0.12 0.44 0.42) = 5.111% kept QD1 LEU 17 - HB3 PHE 21 11.111% * 3.6894% (0.11 0.34 0.02) = 3.689% kept HG12 ILE 68 - HB3 PHE 21 11.111% * 0.8659% (0.05 0.18 0.47) = 0.866% QG2 VAL 73 - HB3 PHE 21 11.111% * 0.4446% (0.23 0.02 0.02) = 0.445% Peak 1760 (2.99, 2.76, 39.84 ppm): 3 chemical-shift based assignments, quality = 0.0394, support = 2.32, residual support = 31.3: O HB2 PHE 21 - HB3 PHE 21 33.333% * 92.9325% (0.04 10.0 2.36 33.51) = 92.932% kept HA1 GLY 58 - HB3 PHE 21 33.333% * 6.9146% (0.03 1.0 1.80 2.52) = 6.915% kept HE3 LYS+ 55 - HB3 PHE 21 33.333% * 0.1529% (0.07 1.0 0.02 0.02) = 0.153% 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 = 0.748, support = 3.85, residual support = 19.4: HN SER 49 - HB ILE 48 11.111% * 60.7931% (0.68 5.65 31.38) = 60.793% kept HN LEU 67 - HB ILE 48 11.111% * 19.0964% (0.91 1.32 0.79) = 19.096% kept HN GLY 58 - HB ILE 48 11.111% * 14.3462% (0.82 1.10 1.49) = 14.346% kept HN LYS+ 81 - HB ILE 48 11.111% * 2.3712% (0.91 0.16 0.02) = 2.371% kept HN THR 106 - HB ILE 48 11.111% * 1.4022% (0.82 0.11 0.02) = 1.402% kept HN GLU- 12 - HB ILE 48 11.111% * 1.1642% (0.97 0.08 0.02) = 1.164% kept HN VAL 105 - HB ILE 48 11.111% * 0.6242% (0.17 0.23 0.02) = 0.624% HN GLN 16 - HB ILE 48 11.111% * 0.1404% (0.44 0.02 0.02) = 0.140% HN VAL 94 - HB ILE 48 11.111% * 0.0620% (0.20 0.02 0.02) = 0.062% Peak 1767 (8.20, 2.80, 38.93 ppm): 5 chemical-shift based assignments, quality = 0.2, support = 0.02, residual support = 0.02: HN ALA 33 - HB3 ASN 89 20.000% * 29.0698% (0.27 0.02 0.02) = 29.070% kept HN GLU- 45 - HB3 ASN 89 20.000% * 22.3149% (0.21 0.02 0.02) = 22.315% kept HN ALA 11 - HB3 ASN 89 20.000% * 19.8797% (0.18 0.02 0.02) = 19.880% kept HN VAL 105 - HB3 ASN 89 20.000% * 14.9581% (0.14 0.02 0.02) = 14.958% kept HN VAL 94 - HB3 ASN 89 20.000% * 13.7774% (0.13 0.02 0.02) = 13.777% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1768 (7.64, 2.80, 38.93 ppm): 4 chemical-shift based assignments, quality = 0.292, support = 0.998, residual support = 4.1: O HD21 ASN 89 - HB3 ASN 89 25.000% * 99.8321% (0.29 10.0 1.00 4.11) = 99.832% kept HD21 ASN 57 - HB3 ASN 89 25.000% * 0.0974% (0.14 1.0 0.02 0.02) = 0.097% HN TYR 83 - HB3 ASN 89 25.000% * 0.0396% (0.06 1.0 0.02 0.11) = 0.040% HN ASP- 25 - HB3 ASN 89 25.000% * 0.0309% (0.05 1.0 0.02 0.02) = 0.031% Peak 1769 (7.07, 2.33, 39.09 ppm): 2 chemical-shift based assignments, quality = 0.304, support = 3.53, residual support = 57.5: O T QD TYR 83 - HB2 TYR 83 50.000% * 99.9745% (0.30 10.0 10.00 3.53 57.49) = 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): 2 chemical-shift based assignments, quality = 0.174, support = 0.567, residual support = 0.34: QD PHE 21 - HB3 ASN 89 50.000% * 71.5895% (0.18 0.68 0.43) = 71.590% kept HD22 ASN 15 - HB3 ASN 89 50.000% * 28.4105% (0.16 0.29 0.10) = 28.410% kept Not enough quality. Peak unassigned. Peak 1771 (4.72, 2.80, 38.92 ppm): 6 chemical-shift based assignments, quality = 0.186, support = 0.02, residual support = 0.02: HA LYS+ 20 - HB3 ASN 89 16.667% * 25.1915% (0.25 0.02 0.02) = 25.191% kept HA2 GLY 30 - HB3 ASN 89 16.667% * 21.0885% (0.21 0.02 0.02) = 21.088% kept HA THR 39 - HB3 ASN 89 16.667% * 19.2949% (0.19 0.02 0.02) = 19.295% kept HA THR 61 - HB3 ASN 89 16.667% * 15.3134% (0.15 0.02 0.02) = 15.313% kept HA VAL 99 - HB3 ASN 89 16.667% * 11.3193% (0.11 0.02 0.02) = 11.319% kept HA GLN 16 - HB3 ASN 89 16.667% * 7.7926% (0.08 0.02 0.02) = 7.793% kept Not enough support, support cutoff is 0.30 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 = 57.5: O T HB3 TYR 83 - HB2 TYR 83 100.000% *100.0000% (0.40 10.0 10.00 2.00 57.49) = 100.000% kept Peak 1779 (2.81, 2.75, 39.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1781 (2.79, 2.82, 39.01 ppm): 1 diagonal assignment: HB3 ASN 89 - HB3 ASN 89 (0.06) kept Peak 1786 (2.33, 3.35, 39.10 ppm): 5 chemical-shift based assignments, quality = 0.445, support = 1.98, residual support = 54.6: O T HB2 TYR 83 - HB3 TYR 83 20.000% * 94.8401% (0.45 10.0 10.00 2.00 57.49) = 94.840% kept HA1 GLY 58 - HB3 TYR 83 20.000% * 5.0008% (0.28 1.0 1.00 1.74 1.57) = 5.001% kept HB3 PRO 35 - HB3 TYR 83 20.000% * 0.0951% (0.46 1.0 1.00 0.02 0.56) = 0.095% HB3 PRO 86 - HB3 TYR 83 20.000% * 0.0471% (0.23 1.0 1.00 0.02 0.02) = 0.047% HG3 GLU- 50 - HB3 TYR 83 20.000% * 0.0169% (0.08 1.0 1.00 0.02 0.02) = 0.017% 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 = 131.6: O T QD1 ILE 48 - HB ILE 48 50.000% * 50.0000% (0.97 10.0 10.00 5.81 131.63) = 50.000% kept O HG12 ILE 48 - HB ILE 48 50.000% * 50.0000% (0.97 10.0 1.00 5.28 131.63) = 50.000% kept Peak 1791 (7.31, 1.74, 38.80 ppm): 7 chemical-shift based assignments, quality = 0.684, support = 5.2, residual support = 93.9: O HN ILE 48 - HB ILE 48 14.286% * 68.0887% (0.66 10.0 6.12 131.63) = 68.089% kept HN VAL 47 - HB ILE 48 14.286% * 18.3781% (0.77 1.0 4.63 22.57) = 18.378% kept HN ARG+ 84 - HB ILE 48 14.286% * 5.9316% (0.81 1.0 1.43 1.16) = 5.932% kept QD PHE 34 - HB ILE 48 14.286% * 5.3590% (0.70 1.0 1.49 1.94) = 5.359% kept HZ2 TRP 51 - HB ILE 48 14.286% * 1.3189% (0.27 1.0 0.96 0.02) = 1.319% kept QE PHE 34 - HB ILE 48 14.286% * 0.8962% (0.27 1.0 0.65 1.94) = 0.896% HZ PHE 34 - HB ILE 48 14.286% * 0.0276% (0.27 1.0 0.02 1.94) = 0.028% 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): 7 chemical-shift based assignments, quality = 0.694, support = 6.09, residual support = 113.1: O QG2 ILE 48 - HB ILE 48 14.286% * 85.8912% (0.70 10.0 6.96 131.63) = 85.891% kept QG2 THR 96 - HB ILE 48 14.286% * 3.7667% (0.40 1.0 1.54 1.32) = 3.767% kept QG2 ILE 101 - HB ILE 48 14.286% * 3.0611% (0.62 1.0 0.80 0.20) = 3.061% kept QD1 ILE 68 - HB ILE 48 14.286% * 2.1582% (0.91 1.0 0.38 0.02) = 2.158% kept QG1 VAL 40 - HB ILE 48 14.286% * 1.9266% (0.93 1.0 0.34 0.19) = 1.927% kept HG LEU 74 - HB ILE 48 14.286% * 1.8296% (0.87 1.0 0.34 0.02) = 1.830% kept HG3 LYS+ 66 - HB ILE 48 14.286% * 1.3666% (0.62 1.0 0.36 0.11) = 1.367% kept Peak 1801 (7.42, 2.06, 37.59 ppm): 4 chemical-shift based assignments, quality = 0.0964, support = 2.12, residual support = 7.97: HN GLU- 64 - HG3 GLU- 64 25.000% * 72.5499% (0.12 2.09 8.11) = 72.550% kept HN GLU- 64 - HG2 GLU- 64 25.000% * 25.7511% (0.04 2.33 8.11) = 25.751% kept HN THR 61 - HG3 GLU- 64 25.000% * 1.2884% (0.22 0.02 0.02) = 1.288% kept HN THR 61 - HG2 GLU- 64 25.000% * 0.4106% (0.07 0.02 0.02) = 0.411% Peak 1802 (4.27, 2.28, 37.56 ppm): 34 chemical-shift based assignments, quality = 0.139, support = 1.04, residual support = 7.52: O HA GLU- 64 - HG2 GLU- 64 2.941% * 59.5198% (0.18 10.0 1.00 8.11) = 59.520% kept O HA GLU- 64 - HG3 GLU- 64 2.941% * 33.1282% (0.08 10.0 1.31 8.11) = 33.128% kept HA ARG+ 84 - HG2 GLU- 64 2.941% * 2.2975% (0.22 1.0 0.32 0.02) = 2.298% kept HA ARG+ 84 - HG3 GLU- 64 2.941% * 0.9950% (0.09 1.0 0.33 0.02) = 0.995% HA GLU- 56 - HG3 GLU- 64 2.941% * 0.8893% (0.05 1.0 0.56 0.39) = 0.889% HB3 SER 49 - HG2 GLU- 64 2.941% * 0.6193% (0.04 1.0 0.47 2.10) = 0.619% HA ASN 76 - HG3 GLU- 64 2.941% * 0.4318% (0.04 1.0 0.32 0.02) = 0.432% HB3 SER 49 - HG3 GLU- 64 2.941% * 0.2567% (0.02 1.0 0.46 2.10) = 0.257% HA SER 85 - HG2 GLU- 64 2.941% * 0.1422% (0.22 1.0 0.02 0.02) = 0.142% HD3 PRO 59 - HG2 GLU- 64 2.941% * 0.1422% (0.22 1.0 0.02 0.02) = 0.142% HA PRO 52 - HG2 GLU- 64 2.941% * 0.1422% (0.22 1.0 0.02 0.02) = 0.142% HA VAL 65 - HG2 GLU- 64 2.941% * 0.1422% (0.22 1.0 0.02 4.17) = 0.142% HA VAL 94 - HG2 GLU- 64 2.941% * 0.1413% (0.22 1.0 0.02 0.02) = 0.141% HA LEU 90 - HG2 GLU- 64 2.941% * 0.1190% (0.18 1.0 0.02 0.02) = 0.119% HA GLU- 75 - HG2 GLU- 64 2.941% * 0.1141% (0.17 1.0 0.02 0.02) = 0.114% HA THR 106 - HG2 GLU- 64 2.941% * 0.0750% (0.11 1.0 0.02 0.02) = 0.075% HA GLU- 56 - HG2 GLU- 64 2.941% * 0.0750% (0.11 1.0 0.02 0.39) = 0.075% HA GLU- 107 - HG2 GLU- 64 2.941% * 0.0694% (0.11 1.0 0.02 0.02) = 0.069% HA ASN 76 - HG2 GLU- 64 2.941% * 0.0639% (0.10 1.0 0.02 0.02) = 0.064% HA PRO 52 - HG3 GLU- 64 2.941% * 0.0605% (0.09 1.0 0.02 0.02) = 0.061% HA SER 85 - HG3 GLU- 64 2.941% * 0.0605% (0.09 1.0 0.02 0.02) = 0.061% HD3 PRO 59 - HG3 GLU- 64 2.941% * 0.0605% (0.09 1.0 0.02 0.02) = 0.061% HA VAL 65 - HG3 GLU- 64 2.941% * 0.0605% (0.09 1.0 0.02 4.17) = 0.061% HA VAL 94 - HG3 GLU- 64 2.941% * 0.0601% (0.09 1.0 0.02 0.02) = 0.060% HA ALA 11 - HG2 GLU- 64 2.941% * 0.0535% (0.08 1.0 0.02 0.02) = 0.053% HA LEU 90 - HG3 GLU- 64 2.941% * 0.0507% (0.08 1.0 0.02 0.02) = 0.051% HA GLU- 75 - HG3 GLU- 64 2.941% * 0.0486% (0.07 1.0 0.02 0.02) = 0.049% HA ASP- 36 - HG2 GLU- 64 2.941% * 0.0396% (0.06 1.0 0.02 0.02) = 0.040% HA THR 106 - HG3 GLU- 64 2.941% * 0.0319% (0.05 1.0 0.02 0.02) = 0.032% HA GLU- 107 - HG3 GLU- 64 2.941% * 0.0295% (0.05 1.0 0.02 0.02) = 0.030% HA PRO 59 - HG2 GLU- 64 2.941% * 0.0282% (0.04 1.0 0.02 0.02) = 0.028% HA ALA 11 - HG3 GLU- 64 2.941% * 0.0228% (0.03 1.0 0.02 0.02) = 0.023% HA ASP- 36 - HG3 GLU- 64 2.941% * 0.0169% (0.03 1.0 0.02 0.02) = 0.017% HA PRO 59 - HG3 GLU- 64 2.941% * 0.0120% (0.02 1.0 0.02 0.02) = 0.012% Peak 1803 (4.27, 2.06, 37.52 ppm): 20 chemical-shift based assignments, quality = 0.176, support = 1.22, residual support = 7.43: O HA GLU- 64 - HG3 GLU- 64 5.000% * 91.4101% (0.18 10.0 1.31 8.11) = 91.410% kept HA GLU- 56 - HG3 GLU- 64 5.000% * 2.9313% (0.14 1.0 0.56 0.39) = 2.931% kept HA ARG+ 84 - HG3 GLU- 64 5.000% * 2.1985% (0.17 1.0 0.33 0.02) = 2.198% kept HA ASN 76 - HG3 GLU- 64 5.000% * 1.4878% (0.12 1.0 0.32 0.02) = 1.488% kept HB3 SER 49 - HG3 GLU- 64 5.000% * 0.7006% (0.04 1.0 0.46 2.10) = 0.701% HA VAL 65 - HG3 GLU- 64 5.000% * 0.1398% (0.18 1.0 0.02 4.17) = 0.140% HA GLU- 75 - HG3 GLU- 64 5.000% * 0.1371% (0.18 1.0 0.02 0.02) = 0.137% HA PRO 52 - HG3 GLU- 64 5.000% * 0.1338% (0.17 1.0 0.02 0.02) = 0.134% HD3 PRO 59 - HG3 GLU- 64 5.000% * 0.1338% (0.17 1.0 0.02 0.02) = 0.134% HA SER 85 - HG3 GLU- 64 5.000% * 0.1338% (0.17 1.0 0.02 0.02) = 0.134% HA VAL 94 - HG3 GLU- 64 5.000% * 0.1300% (0.17 1.0 0.02 0.02) = 0.130% HA GLU- 107 - HG3 GLU- 64 5.000% * 0.0995% (0.13 1.0 0.02 0.02) = 0.100% HA LEU 90 - HG3 GLU- 64 5.000% * 0.0937% (0.12 1.0 0.02 0.02) = 0.094% HA ALA 11 - HG3 GLU- 64 5.000% * 0.0820% (0.11 1.0 0.02 0.02) = 0.082% HA THR 106 - HG3 GLU- 64 5.000% * 0.0494% (0.06 1.0 0.02 0.02) = 0.049% HA PRO 59 - HG3 GLU- 64 5.000% * 0.0494% (0.06 1.0 0.02 0.02) = 0.049% HA LYS+ 108 - HG3 GLU- 64 5.000% * 0.0224% (0.03 1.0 0.02 0.02) = 0.022% HA GLU- 54 - HG3 GLU- 64 5.000% * 0.0224% (0.03 1.0 0.02 0.12) = 0.022% HA GLU- 10 - HG3 GLU- 64 5.000% * 0.0224% (0.03 1.0 0.02 0.02) = 0.022% HA ASP- 36 - HG3 GLU- 64 5.000% * 0.0224% (0.03 1.0 0.02 0.02) = 0.022% Peak 1804 (2.29, 2.05, 37.57 ppm): 8 chemical-shift based assignments, quality = 0.111, support = 0.757, residual support = 5.67: O T HG2 GLU- 64 - HG3 GLU- 64 12.500% * 68.4700% (0.07 10.0 10.00 1.00 8.11) = 68.470% kept T HB3 PRO 35 - HG3 GLU- 64 12.500% * 20.9702% (0.22 1.0 10.00 0.18 0.02) = 20.970% kept HB2 LYS+ 44 - HG3 GLU- 64 12.500% * 5.3434% (0.21 1.0 1.00 0.48 0.56) = 5.343% kept HB2 PRO 86 - HG3 GLU- 64 12.500% * 2.9196% (0.21 1.0 1.00 0.27 2.89) = 2.920% kept T HA1 GLY 58 - HG3 GLU- 64 12.500% * 1.1932% (0.12 1.0 10.00 0.02 0.02) = 1.193% kept T HG3 GLU- 75 - HG3 GLU- 64 12.500% * 0.9592% (0.09 1.0 10.00 0.02 0.02) = 0.959% HB VAL 80 - HG3 GLU- 64 12.500% * 0.0796% (0.08 1.0 1.00 0.02 0.02) = 0.080% HB3 PRO 86 - HG3 GLU- 64 12.500% * 0.0649% (0.06 1.0 1.00 0.02 2.89) = 0.065% Peak 1805 (2.05, 2.28, 37.45 ppm): 1 diagonal assignment: HG3 GLU- 64 - HG3 GLU- 64 (0.02) kept Peak 1806 (2.05, 2.06, 37.58 ppm): 1 diagonal assignment: HG3 GLU- 64 - HG3 GLU- 64 (0.10) 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 = 0.282, support = 1.54, residual support = 14.9: O HD21 ASN 57 - HB3 ASN 57 33.333% * 95.0298% (0.26 10.0 1.60 15.73) = 95.030% kept HD21 ASN 89 - HB3 ASN 57 33.333% * 4.8823% (0.69 1.0 0.31 0.02) = 4.882% kept HN TYR 83 - HB3 ASN 57 33.333% * 0.0880% (0.19 1.0 0.02 0.02) = 0.088% Peak 1809 (4.40, 2.90, 37.38 ppm): 12 chemical-shift based assignments, quality = 0.979, support = 2.16, residual support = 15.6: O HA ASN 57 - HB3 ASN 57 8.333% * 99.3623% (0.99 10.0 2.17 15.73) = 99.362% kept HA THR 95 - HB3 ASN 57 8.333% * 0.0991% (0.98 1.0 0.02 0.02) = 0.099% HA PRO 104 - HB3 ASN 57 8.333% * 0.0959% (0.95 1.0 0.02 0.02) = 0.096% HA SER 88 - HB3 ASN 57 8.333% * 0.0796% (0.79 1.0 0.02 0.02) = 0.080% HA ALA 91 - HB3 ASN 57 8.333% * 0.0683% (0.68 1.0 0.02 0.02) = 0.068% HA PRO 86 - HB3 ASN 57 8.333% * 0.0683% (0.68 1.0 0.02 0.02) = 0.068% HA HIS+ 14 - HB3 ASN 57 8.333% * 0.0523% (0.52 1.0 0.02 0.02) = 0.052% HA SER 27 - HB3 ASN 57 8.333% * 0.0445% (0.44 1.0 0.02 0.02) = 0.045% HA ALA 37 - HB3 ASN 57 8.333% * 0.0408% (0.41 1.0 0.02 0.02) = 0.041% HA LYS+ 60 - HB3 ASN 57 8.333% * 0.0307% (0.30 1.0 0.02 0.02) = 0.031% HA LYS+ 66 - HB3 ASN 57 8.333% * 0.0307% (0.30 1.0 0.02 0.02) = 0.031% HA TRP 51 - HB3 ASN 57 8.333% * 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): 15 chemical-shift based assignments, quality = 0.495, support = 4.99, residual support = 31.0: HN GLU- 18 - HG3 GLU- 18 6.667% * 90.5826% (0.48 5.48 34.18) = 90.583% kept HN GLU- 10 - HG3 GLU- 18 6.667% * 8.3764% (0.68 0.36 0.02) = 8.376% kept HN GLY 92 - HG3 GLU- 18 6.667% * 0.6780% (0.13 0.15 0.02) = 0.678% HN GLU- 10 - HG3 GLU- 56 6.667% * 0.0785% (0.11 0.02 0.02) = 0.078% HN GLU- 10 - HG2 GLU- 56 6.667% * 0.0688% (0.10 0.02 0.02) = 0.069% HN GLU- 18 - HG3 GLU- 56 6.667% * 0.0556% (0.08 0.02 0.02) = 0.056% HN GLU- 18 - HG2 GLU- 56 6.667% * 0.0488% (0.07 0.02 0.02) = 0.049% HN GLU- 10 - HG3 GLU- 107 6.667% * 0.0223% (0.03 0.02 0.02) = 0.022% HN GLU- 10 - HG3 GLU- 54 6.667% * 0.0208% (0.03 0.02 0.02) = 0.021% HN GLU- 18 - HG3 GLU- 107 6.667% * 0.0158% (0.02 0.02 0.02) = 0.016% HN GLY 92 - HG3 GLU- 56 6.667% * 0.0155% (0.02 0.02 0.02) = 0.015% HN GLU- 18 - HG3 GLU- 54 6.667% * 0.0148% (0.02 0.02 0.18) = 0.015% HN GLY 92 - HG2 GLU- 56 6.667% * 0.0136% (0.02 0.02 0.02) = 0.014% HN GLY 92 - HG3 GLU- 107 6.667% * 0.0044% (0.01 0.02 0.02) = 0.004% HN GLY 92 - HG3 GLU- 54 6.667% * 0.0041% (0.01 0.02 0.02) = 0.004% Peak 1814 (8.22, 2.46, 36.88 ppm): 10 chemical-shift based assignments, quality = 0.74, support = 3.19, residual support = 27.7: HN GLU- 45 - HG3 GLU- 45 10.000% * 48.0166% (0.68 5.34 55.69) = 48.017% kept HN SER 49 - HG3 GLU- 45 10.000% * 21.3553% (0.86 1.88 3.80) = 21.355% kept HN VAL 105 - HG3 GLU- 45 10.000% * 10.2554% (0.89 0.87 0.23) = 10.255% kept HN ALA 11 - HG3 GLU- 45 10.000% * 8.5017% (0.75 0.85 0.87) = 8.502% kept HN LEU 67 - HG3 GLU- 45 10.000% * 6.3095% (0.60 0.79 0.12) = 6.310% kept HN VAL 94 - HG3 GLU- 45 10.000% * 2.9476% (0.91 0.24 0.02) = 2.948% kept HN LYS+ 81 - HG3 GLU- 45 10.000% * 1.8865% (0.60 0.24 0.02) = 1.886% kept HN GLU- 12 - HG3 GLU- 45 10.000% * 0.5019% (0.48 0.08 0.02) = 0.502% HN GLY 58 - HG3 GLU- 45 10.000% * 0.1901% (0.72 0.02 0.02) = 0.190% HN THR 106 - HG3 GLU- 45 10.000% * 0.0354% (0.13 0.02 0.02) = 0.035% Peak 1815 (8.23, 2.13, 36.88 ppm): 10 chemical-shift based assignments, quality = 0.722, support = 3.15, residual support = 20.1: HN GLU- 45 - HG2 GLU- 45 10.000% * 33.5720% (0.48 5.70 55.69) = 33.572% kept HN SER 49 - HG2 GLU- 45 10.000% * 33.5564% (0.97 2.83 3.80) = 33.556% kept HN ALA 11 - HG2 GLU- 45 10.000% * 8.6476% (0.56 1.26 0.87) = 8.648% kept HN LYS+ 81 - HG2 GLU- 45 10.000% * 8.1819% (0.80 0.84 0.02) = 8.182% kept HN LEU 67 - HG2 GLU- 45 10.000% * 7.6987% (0.80 0.79 0.12) = 7.699% kept HN VAL 105 - HG2 GLU- 45 10.000% * 5.6444% (0.72 0.64 0.23) = 5.644% kept HN VAL 94 - HG2 GLU- 45 10.000% * 2.2554% (0.76 0.24 0.02) = 2.255% kept HN GLY 58 - HG2 GLU- 45 10.000% * 0.2170% (0.89 0.02 0.02) = 0.217% HN GLU- 12 - HG2 GLU- 45 10.000% * 0.1662% (0.68 0.02 0.02) = 0.166% HN THR 106 - HG2 GLU- 45 10.000% * 0.0603% (0.25 0.02 0.02) = 0.060% 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): 9 chemical-shift based assignments, quality = 0.711, support = 2.02, residual support = 4.24: HA LEU 23 - HG3 GLU- 18 11.111% * 63.8051% (0.83 2.35 5.70) = 63.805% kept HB THR 39 - HG3 GLU- 18 11.111% * 29.4305% (0.54 1.66 1.99) = 29.431% kept HA ASN 15 - HG3 GLU- 18 11.111% * 6.3029% (0.32 0.61 0.33) = 6.303% kept HA LEU 23 - HG3 GLU- 56 11.111% * 0.1248% (0.19 0.02 0.02) = 0.125% HA LEU 23 - HG2 GLU- 56 11.111% * 0.1023% (0.16 0.02 0.02) = 0.102% HB THR 39 - HG3 GLU- 56 11.111% * 0.0815% (0.12 0.02 0.02) = 0.081% HB THR 39 - HG2 GLU- 56 11.111% * 0.0668% (0.10 0.02 0.02) = 0.067% HA ASN 15 - HG3 GLU- 56 11.111% * 0.0473% (0.07 0.02 0.02) = 0.047% HA ASN 15 - HG2 GLU- 56 11.111% * 0.0387% (0.06 0.02 0.02) = 0.039% Peak 1818 (4.81, 1.89, 37.06 ppm): 3 chemical-shift based assignments, quality = 0.863, support = 1.94, residual support = 4.05: HA LEU 23 - HG2 GLU- 18 33.333% * 58.5315% (0.96 2.25 5.70) = 58.531% kept HB THR 39 - HG2 GLU- 18 33.333% * 35.0504% (0.82 1.58 1.99) = 35.050% kept HA ASN 15 - HG2 GLU- 18 33.333% * 6.4182% (0.22 1.08 0.33) = 6.418% kept Peak 1819 (3.87, 2.13, 36.90 ppm): 7 chemical-shift based assignments, quality = 0.982, support = 3.86, residual support = 55.4: O HA GLU- 45 - HG2 GLU- 45 14.286% * 99.4925% (0.99 10.0 3.88 55.69) = 99.492% kept HB3 SER 27 - HG2 GLU- 45 14.286% * 0.1002% (0.99 1.0 0.02 0.02) = 0.100% HB3 SER 77 - HG2 GLU- 45 14.286% * 0.0950% (0.94 1.0 0.02 0.02) = 0.095% HB2 SER 85 - HG2 GLU- 45 14.286% * 0.0927% (0.92 1.0 0.02 0.02) = 0.093% HB3 SER 88 - HG2 GLU- 45 14.286% * 0.0900% (0.89 1.0 0.02 0.02) = 0.090% HD3 PRO 35 - HG2 GLU- 45 14.286% * 0.0729% (0.72 1.0 0.02 1.17) = 0.073% HD2 PRO 86 - HG2 GLU- 45 14.286% * 0.0568% (0.56 1.0 0.02 0.02) = 0.057% Peak 1820 (2.46, 2.13, 36.97 ppm): 3 chemical-shift based assignments, quality = 0.87, support = 3.68, residual support = 55.2: O T HG3 GLU- 45 - HG2 GLU- 45 33.333% * 99.1833% (0.88 10.0 10.00 3.72 55.69) = 99.183% kept HA1 GLY 58 - HG2 GLU- 45 33.333% * 0.7597% (0.77 1.0 1.00 0.17 0.02) = 0.760% HB3 PRO 35 - HG2 GLU- 45 33.333% * 0.0570% (0.50 1.0 1.00 0.02 1.17) = 0.057% Peak 1821 (2.22, 1.89, 37.10 ppm): 14 chemical-shift based assignments, quality = 0.903, support = 2.47, residual support = 30.2: O HG3 GLU- 18 - HG2 GLU- 18 7.143% * 88.0221% (0.92 10.0 2.70 34.18) = 88.022% kept HG3 GLN 102 - HG2 GLU- 18 7.143% * 3.6762% (0.85 1.0 0.91 1.09) = 3.676% kept HA1 GLY 58 - HG2 GLU- 18 7.143% * 2.5162% (0.36 1.0 1.45 0.78) = 2.516% kept HG3 GLN 16 - HG2 GLU- 18 7.143% * 2.0798% (0.78 1.0 0.56 1.38) = 2.080% kept HB2 GLU- 50 - HG2 GLU- 18 7.143% * 1.8071% (0.96 1.0 0.40 0.02) = 1.807% kept HG3 MET 97 - HG2 GLU- 18 7.143% * 1.5275% (0.98 1.0 0.33 0.02) = 1.527% kept HG2 GLU- 64 - HG2 GLU- 18 7.143% * 0.0852% (0.90 1.0 0.02 0.02) = 0.085% HB3 PRO 35 - HG2 GLU- 18 7.143% * 0.0741% (0.78 1.0 0.02 0.02) = 0.074% HB3 PRO 52 - HG2 GLU- 18 7.143% * 0.0676% (0.71 1.0 0.02 0.02) = 0.068% HG3 GLU- 64 - HG2 GLU- 18 7.143% * 0.0573% (0.60 1.0 0.02 0.02) = 0.057% HG3 GLU- 56 - HG2 GLU- 18 7.143% * 0.0287% (0.30 1.0 0.02 0.02) = 0.029% HG3 GLU- 10 - HG2 GLU- 18 7.143% * 0.0232% (0.24 1.0 0.02 0.02) = 0.023% HG2 GLU- 56 - HG2 GLU- 18 7.143% * 0.0207% (0.22 1.0 0.02 0.02) = 0.021% HB3 ASN 15 - HG2 GLU- 18 7.143% * 0.0144% (0.15 1.0 0.02 0.33) = 0.014% 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): 8 chemical-shift based assignments, quality = 0.769, support = 0.842, residual support = 0.993: QG2 VAL 73 - HG2 GLU- 45 12.500% * 24.3947% (0.80 1.01 2.08) = 24.395% kept QG2 ILE 29 - HG2 GLU- 45 12.500% * 23.1731% (0.83 0.92 0.61) = 23.173% kept QG2 VAL 99 - HG2 GLU- 45 12.500% * 22.5683% (0.99 0.75 0.53) = 22.568% kept QG2 VAL 62 - HG2 GLU- 45 12.500% * 18.1464% (0.68 0.88 1.13) = 18.146% kept QG2 VAL 105 - HG2 GLU- 45 12.500% * 5.2645% (0.28 0.63 0.23) = 5.265% kept QD1 LEU 17 - HG2 GLU- 45 12.500% * 3.7156% (0.31 0.40 0.02) = 3.716% kept QG1 VAL 105 - HG2 GLU- 45 12.500% * 2.5870% (0.34 0.25 0.23) = 2.587% kept HB2 ARG+ 84 - HG2 GLU- 45 12.500% * 0.1504% (0.25 0.02 0.02) = 0.150% Peak 1825 (9.09, 2.27, 36.54 ppm): 12 chemical-shift based assignments, quality = 0.206, support = 2.96, residual support = 13.7: HN GLU- 54 - HG3 GLU- 54 8.333% * 79.3096% (0.20 3.68 17.29) = 79.310% kept HN GLU- 54 - HG3 GLU- 75 8.333% * 7.0217% (0.36 0.18 0.18) = 7.022% kept HN LYS+ 66 - HG3 GLU- 54 8.333% * 5.0851% (0.25 0.18 0.02) = 5.085% kept HN GLU- 54 - HG2 GLU- 56 8.333% * 2.4303% (0.07 0.32 0.02) = 2.430% kept HN LYS+ 66 - HG3 GLU- 107 8.333% * 2.1128% (0.24 0.08 0.02) = 2.113% kept HN GLU- 54 - HG3 GLU- 56 8.333% * 1.8762% (0.05 0.32 0.02) = 1.876% kept HN LYS+ 66 - HG3 GLU- 75 8.333% * 1.0202% (0.46 0.02 0.02) = 1.020% kept HN GLU- 54 - HG3 GLU- 107 8.333% * 0.4149% (0.19 0.02 0.02) = 0.415% HN LYS+ 66 - HG3 GLU- 10 8.333% * 0.2168% (0.10 0.02 0.02) = 0.217% HN LYS+ 66 - HG2 GLU- 56 8.333% * 0.1949% (0.09 0.02 0.02) = 0.195% HN GLU- 54 - HG3 GLU- 10 8.333% * 0.1672% (0.08 0.02 0.02) = 0.167% HN LYS+ 66 - HG3 GLU- 56 8.333% * 0.1504% (0.07 0.02 0.02) = 0.150% Peak 1826 (8.96, 1.37, 36.77 ppm): 6 chemical-shift based assignments, quality = 0.779, support = 3.3, residual support = 11.4: HN MET 97 - HB3 LYS+ 20 16.667% * 38.5718% (0.98 4.25 7.18) = 38.572% kept HN ILE 19 - HB3 LYS+ 20 16.667% * 23.5259% (0.72 3.54 30.28) = 23.526% kept HN PHE 21 - HB3 LYS+ 20 16.667% * 14.8259% (0.44 3.61 8.87) = 14.826% kept HN THR 96 - HB3 LYS+ 20 16.667% * 8.8472% (0.56 1.71 1.55) = 8.847% kept HN LEU 17 - HB3 LYS+ 20 16.667% * 8.4063% (0.97 0.94 0.77) = 8.406% kept HN ARG+ 22 - HB3 LYS+ 20 16.667% * 5.8229% (0.64 0.98 0.42) = 5.823% kept Peak 1827 (8.36, 2.23, 36.64 ppm): 20 chemical-shift based assignments, quality = 0.363, support = 1.81, residual support = 6.97: HN LYS+ 108 - HG3 GLU- 107 5.000% * 82.3406% (0.35 2.20 8.47) = 82.341% kept HN ALA 103 - HG3 GLU- 56 5.000% * 1.7489% (0.82 0.02 0.02) = 1.749% kept HN LYS+ 108 - HG3 GLU- 56 5.000% * 1.7219% (0.80 0.02 0.02) = 1.722% kept HN ALA 103 - HG2 GLU- 56 5.000% * 1.6043% (0.75 0.02 0.02) = 1.604% kept HN LYS+ 108 - HG2 GLU- 56 5.000% * 1.5796% (0.74 0.02 0.02) = 1.580% kept HN GLY 71 - HG3 GLU- 56 5.000% * 1.2956% (0.60 0.02 0.02) = 1.296% kept HN GLY 71 - HG2 GLU- 56 5.000% * 1.1885% (0.55 0.02 0.02) = 1.189% kept HN ALA 103 - HG3 GLU- 10 5.000% * 1.0229% (0.48 0.02 0.02) = 1.023% kept HN LYS+ 108 - HG3 GLU- 10 5.000% * 1.0071% (0.47 0.02 0.02) = 1.007% kept HN GLU- 50 - HG3 GLU- 56 5.000% * 0.7999% (0.37 0.02 0.02) = 0.800% HN ALA 103 - HG3 GLU- 107 5.000% * 0.7611% (0.35 0.02 0.02) = 0.761% HN GLY 71 - HG3 GLU- 10 5.000% * 0.7578% (0.35 0.02 0.02) = 0.758% HN GLU- 50 - HG2 GLU- 56 5.000% * 0.7338% (0.34 0.02 0.02) = 0.734% HN ALA 103 - HG3 GLU- 54 5.000% * 0.6466% (0.30 0.02 0.02) = 0.647% HN LYS+ 108 - HG3 GLU- 54 5.000% * 0.6367% (0.30 0.02 0.02) = 0.637% HN GLY 71 - HG3 GLU- 107 5.000% * 0.5638% (0.26 0.02 0.02) = 0.564% HN GLY 71 - HG3 GLU- 54 5.000% * 0.4790% (0.22 0.02 0.02) = 0.479% HN GLU- 50 - HG3 GLU- 10 5.000% * 0.4679% (0.22 0.02 0.02) = 0.468% HN GLU- 50 - HG3 GLU- 107 5.000% * 0.3481% (0.16 0.02 0.02) = 0.348% HN GLU- 50 - HG3 GLU- 54 5.000% * 0.2958% (0.14 0.02 0.02) = 0.296% Peak 1828 (8.34, 2.34, 36.71 ppm): 6 chemical-shift based assignments, quality = 0.141, support = 4.21, residual support = 19.4: HN GLU- 50 - HG3 GLU- 50 16.667% * 98.9953% (0.14 4.25 19.56) = 98.995% kept HN ALA 103 - HG3 GLU- 50 16.667% * 0.3766% (0.12 0.02 0.02) = 0.377% HN LYS+ 108 - HG3 GLU- 50 16.667% * 0.2398% (0.07 0.02 0.02) = 0.240% HN ASN 76 - HG3 GLU- 50 16.667% * 0.2026% (0.06 0.02 0.02) = 0.203% HN GLY 71 - HG3 GLU- 50 16.667% * 0.1097% (0.03 0.02 0.02) = 0.110% HN VAL 99 - HG3 GLU- 50 16.667% * 0.0760% (0.02 0.02 0.21) = 0.076% Peak 1829 (4.74, 1.37, 36.77 ppm): 4 chemical-shift based assignments, quality = 0.651, support = 3.2, residual support = 40.2: O HA LYS+ 20 - HB3 LYS+ 20 25.000% * 95.2714% (0.67 10.0 3.27 42.15) = 95.271% kept HA2 GLY 30 - HB3 LYS+ 20 25.000% * 4.6584% (0.36 1.0 1.79 0.26) = 4.658% kept HA THR 39 - HB3 LYS+ 20 25.000% * 0.0428% (0.30 1.0 0.02 1.82) = 0.043% HA THR 61 - HB3 LYS+ 20 25.000% * 0.0274% (0.19 1.0 0.02 0.02) = 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): 5 chemical-shift based assignments, quality = 0.116, support = 2.03, residual support = 19.5: O HA GLU- 50 - HG3 GLU- 50 20.000% * 99.7943% (0.12 10.0 2.03 19.56) = 99.794% kept HA ILE 100 - HG3 GLU- 50 20.000% * 0.0731% (0.09 1.0 0.02 0.24) = 0.073% HA GLN 102 - HG3 GLU- 50 20.000% * 0.0731% (0.09 1.0 0.02 0.02) = 0.073% HA LYS+ 32 - HG3 GLU- 50 20.000% * 0.0343% (0.04 1.0 0.02 0.02) = 0.034% HB THR 24 - HG3 GLU- 50 20.000% * 0.0251% (0.03 1.0 0.02 0.02) = 0.025% Peak 1833 (4.27, 2.34, 36.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1838 (2.13, 2.46, 36.81 ppm): 12 chemical-shift based assignments, quality = 0.885, support = 3.44, residual support = 51.1: O T HG2 GLU- 45 - HG3 GLU- 45 8.333% * 91.6003% (0.91 10.0 10.00 3.72 55.69) = 91.600% kept HG3 GLU- 64 - HG3 GLU- 45 8.333% * 3.2703% (0.87 1.0 1.00 0.74 1.10) = 3.270% kept T HA1 GLY 58 - HG3 GLU- 45 8.333% * 1.9035% (0.22 1.0 10.00 0.17 0.02) = 1.904% kept HB3 GLU- 75 - HG3 GLU- 45 8.333% * 1.2293% (0.77 1.0 1.00 0.32 0.02) = 1.229% kept HB VAL 105 - HG3 GLU- 45 8.333% * 1.0718% (0.84 1.0 1.00 0.25 0.23) = 1.072% kept HB2 ASP- 28 - HG3 GLU- 45 8.333% * 0.6530% (0.82 1.0 1.00 0.16 0.02) = 0.653% HB VAL 87 - HG3 GLU- 45 8.333% * 0.0631% (0.63 1.0 1.00 0.02 0.11) = 0.063% HG2 GLU- 64 - HG3 GLU- 45 8.333% * 0.0596% (0.59 1.0 1.00 0.02 1.10) = 0.060% HB3 LYS+ 78 - HG3 GLU- 45 8.333% * 0.0412% (0.41 1.0 1.00 0.02 0.02) = 0.041% HB3 LEU 43 - HG3 GLU- 45 8.333% * 0.0412% (0.41 1.0 1.00 0.02 0.02) = 0.041% HB3 PRO 35 - HG3 GLU- 45 8.333% * 0.0385% (0.38 1.0 1.00 0.02 1.17) = 0.038% HB VAL 47 - HG3 GLU- 45 8.333% * 0.0283% (0.28 1.0 1.00 0.02 0.11) = 0.028% 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 = 5.02, residual support = 42.1: O HG3 LYS+ 20 - HB3 LYS+ 20 100.000% *100.0000% (0.75 10.0 5.02 42.15) = 100.000% kept Peak 1847 (0.96, 2.46, 36.82 ppm): 7 chemical-shift based assignments, quality = 0.546, support = 0.876, residual support = 0.972: QG2 VAL 73 - HG3 GLU- 45 14.286% * 24.7772% (0.53 1.10 2.08) = 24.777% kept QG2 VAL 99 - HG3 GLU- 45 14.286% * 23.2011% (0.88 0.62 0.53) = 23.201% kept QG2 ILE 29 - HG3 GLU- 45 14.286% * 22.4752% (0.56 0.93 0.61) = 22.475% kept QG2 VAL 62 - HG3 GLU- 45 14.286% * 15.3411% (0.42 0.86 1.13) = 15.341% kept QG1 VAL 105 - HG3 GLU- 45 14.286% * 7.1069% (0.16 1.02 0.23) = 7.107% kept QD1 LEU 17 - HG3 GLU- 45 14.286% * 4.7553% (0.14 0.77 0.02) = 4.755% kept QG2 VAL 105 - HG3 GLU- 45 14.286% * 2.3432% (0.13 0.43 0.23) = 2.343% kept Peak 1849 (0.69, 1.37, 36.75 ppm): 8 chemical-shift based assignments, quality = 0.843, support = 2.07, residual support = 9.43: T QG2 VAL 94 - HB3 LYS+ 20 12.500% * 46.6930% (0.98 10.00 1.40 2.45) = 46.693% kept T QG2 THR 96 - HB3 LYS+ 20 12.500% * 25.3783% (0.48 10.00 1.56 1.55) = 25.378% kept QD1 ILE 19 - HB3 LYS+ 20 12.500% * 13.5184% (0.98 1.00 4.04 30.28) = 13.518% kept HG12 ILE 19 - HB3 LYS+ 20 12.500% * 12.5463% (0.97 1.00 3.78 30.28) = 12.546% kept QG2 ILE 48 - HB3 LYS+ 20 12.500% * 1.1788% (0.98 1.00 0.35 0.02) = 1.179% kept QG2 ILE 101 - HB3 LYS+ 20 12.500% * 0.5777% (0.84 1.00 0.20 0.02) = 0.578% QG2 ILE 68 - HB3 LYS+ 20 12.500% * 0.0669% (0.98 1.00 0.02 0.14) = 0.067% QG1 VAL 62 - HB3 LYS+ 20 12.500% * 0.0407% (0.59 1.00 0.02 0.02) = 0.041% Peak 1850 (8.83, 1.59, 36.42 ppm): 3 chemical-shift based assignments, quality = 0.692, support = 2.47, residual support = 38.0: O HN LYS+ 32 - HB3 LYS+ 32 33.333% * 99.7898% (0.69 10.0 2.48 38.08) = 99.790% kept HN LYS+ 60 - HB3 LYS+ 32 33.333% * 0.1269% (0.88 1.0 0.02 0.02) = 0.127% HN ASN 57 - HB3 LYS+ 32 33.333% * 0.0834% (0.58 1.0 0.02 0.02) = 0.083% Peak 1851 (8.76, 2.33, 36.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1852 (8.75, 2.06, 36.20 ppm): 5 chemical-shift based assignments, quality = 0.605, support = 6.05, residual support = 113.8: O HN ILE 101 - HB ILE 101 20.000% * 99.0977% (0.61 10.0 6.11 114.85) = 99.098% kept HN VAL 62 - HB ILE 101 20.000% * 0.6716% (0.87 1.0 0.09 0.02) = 0.672% HN PHE 34 - HB ILE 101 20.000% * 0.1171% (0.72 1.0 0.02 0.02) = 0.117% HN GLU- 56 - HB ILE 101 20.000% * 0.0929% (0.57 1.0 0.02 0.02) = 0.093% HN THR 95 - HB ILE 101 20.000% * 0.0207% (0.13 1.0 0.02 0.02) = 0.021% Peak 1853 (8.44, 2.26, 36.43 ppm): 36 chemical-shift based assignments, quality = 0.464, support = 2.08, residual support = 9.22: HN LEU 74 - HG3 GLU- 75 2.778% * 39.1243% (0.62 2.50 5.01) = 39.124% kept HN GLU- 75 - HG3 GLU- 75 2.778% * 29.6421% (0.50 2.34 10.58) = 29.642% kept HN ARG+ 53 - HG3 GLU- 54 2.778% * 13.9564% (0.31 1.81 28.15) = 13.956% kept HN GLU- 107 - HG3 GLU- 107 2.778% * 7.2359% (0.16 1.79 2.64) = 7.236% kept HN GLU- 75 - HG3 GLU- 54 2.778% * 2.5545% (0.29 0.35 0.18) = 2.555% kept HN GLU- 107 - HG3 GLU- 75 2.778% * 2.4954% (0.26 0.38 0.02) = 2.495% kept HN GLY 92 - HG3 GLU- 75 2.778% * 1.2798% (0.14 0.37 0.02) = 1.280% kept HN HIS+ 14 - HG3 GLU- 54 2.778% * 0.4582% (0.20 0.09 0.02) = 0.458% HN LEU 74 - HG3 GLU- 10 2.778% * 0.2727% (0.54 0.02 0.02) = 0.273% HN ARG+ 53 - HG3 GLU- 75 2.778% * 0.2663% (0.53 0.02 0.42) = 0.266% HN ARG+ 53 - HG3 GLU- 10 2.778% * 0.2324% (0.46 0.02 0.02) = 0.232% HN GLU- 75 - HG3 GLU- 10 2.778% * 0.2208% (0.44 0.02 0.02) = 0.221% HN LEU 74 - HG3 GLU- 107 2.778% * 0.1931% (0.39 0.02 0.36) = 0.193% HN LEU 74 - HG3 GLU- 54 2.778% * 0.1811% (0.36 0.02 0.02) = 0.181% HN HIS+ 14 - HG3 GLU- 75 2.778% * 0.1696% (0.34 0.02 0.02) = 0.170% HN ARG+ 53 - HG3 GLU- 107 2.778% * 0.1645% (0.33 0.02 0.02) = 0.165% HN GLU- 75 - HG3 GLU- 107 2.778% * 0.1563% (0.31 0.02 0.02) = 0.156% HN HIS+ 14 - HG3 GLU- 10 2.778% * 0.1480% (0.30 0.02 0.02) = 0.148% HN GLU- 107 - HG3 GLU- 10 2.778% * 0.1141% (0.23 0.02 0.02) = 0.114% HN LEU 74 - HG2 GLU- 56 2.778% * 0.1136% (0.23 0.02 0.02) = 0.114% HN HIS+ 14 - HG3 GLU- 107 2.778% * 0.1048% (0.21 0.02 0.02) = 0.105% HN LEU 74 - HG3 GLU- 56 2.778% * 0.0974% (0.19 0.02 0.02) = 0.097% HN ARG+ 53 - HG2 GLU- 56 2.778% * 0.0968% (0.19 0.02 0.02) = 0.097% HN GLU- 75 - HG2 GLU- 56 2.778% * 0.0920% (0.18 0.02 0.02) = 0.092% HN ARG+ 53 - HG3 GLU- 56 2.778% * 0.0830% (0.17 0.02 0.02) = 0.083% HN GLU- 75 - HG3 GLU- 56 2.778% * 0.0789% (0.16 0.02 0.02) = 0.079% HN GLU- 107 - HG3 GLU- 54 2.778% * 0.0758% (0.15 0.02 0.02) = 0.076% HN HIS+ 14 - HG2 GLU- 56 2.778% * 0.0617% (0.12 0.02 0.02) = 0.062% HN GLY 92 - HG3 GLU- 10 2.778% * 0.0602% (0.12 0.02 0.02) = 0.060% HN HIS+ 14 - HG3 GLU- 56 2.778% * 0.0529% (0.11 0.02 0.02) = 0.053% HN GLU- 107 - HG2 GLU- 56 2.778% * 0.0475% (0.09 0.02 0.02) = 0.048% HN GLY 92 - HG3 GLU- 107 2.778% * 0.0426% (0.08 0.02 0.02) = 0.043% HN GLU- 107 - HG3 GLU- 56 2.778% * 0.0408% (0.08 0.02 0.02) = 0.041% HN GLY 92 - HG3 GLU- 54 2.778% * 0.0400% (0.08 0.02 0.02) = 0.040% HN GLY 92 - HG2 GLU- 56 2.778% * 0.0251% (0.05 0.02 0.02) = 0.025% HN GLY 92 - HG3 GLU- 56 2.778% * 0.0215% (0.04 0.02 0.02) = 0.021% Peak 1854 (8.20, 1.59, 36.43 ppm): 6 chemical-shift based assignments, quality = 0.796, support = 3.59, residual support = 13.6: HN ALA 33 - HB3 LYS+ 32 16.667% * 90.2623% (0.83 3.95 15.04) = 90.262% kept HN VAL 105 - HB3 LYS+ 32 16.667% * 5.0123% (0.58 0.31 0.02) = 5.012% kept HN VAL 94 - HB3 LYS+ 32 16.667% * 3.8105% (0.54 0.26 0.02) = 3.810% kept HN GLU- 45 - HB3 LYS+ 32 16.667% * 0.4405% (0.80 0.02 0.02) = 0.440% HN ALA 11 - HB3 LYS+ 32 16.667% * 0.4030% (0.73 0.02 0.02) = 0.403% HN SER 49 - HB3 LYS+ 32 16.667% * 0.0714% (0.13 0.02 0.02) = 0.071% Peak 1855 (7.35, 1.59, 36.42 ppm): 5 chemical-shift based assignments, quality = 0.519, support = 3.68, residual support = 17.8: HZ PHE 34 - HB3 LYS+ 32 20.000% * 34.9883% (0.55 4.43 22.26) = 34.988% kept QE PHE 34 - HB3 LYS+ 32 20.000% * 34.0933% (0.55 4.31 22.26) = 34.093% kept HZ2 TRP 51 - HB3 LYS+ 32 20.000% * 12.6987% (0.55 1.61 1.63) = 12.699% kept QD PHE 34 - HB3 LYS+ 32 20.000% * 9.2961% (0.17 3.80 22.26) = 9.296% kept HE22 GLN 102 - HB3 LYS+ 32 20.000% * 8.9236% (0.55 1.13 1.55) = 8.924% kept Peak 1856 (4.49, 1.59, 36.43 ppm): 6 chemical-shift based assignments, quality = 0.916, support = 4.29, residual support = 38.0: O HA LYS+ 32 - HB3 LYS+ 32 16.667% * 99.7051% (0.92 10.0 4.30 38.08) = 99.705% kept HA SER 77 - HB3 LYS+ 32 16.667% * 0.0969% (0.89 1.0 0.02 0.02) = 0.097% HA ILE 100 - HB3 LYS+ 32 16.667% * 0.0611% (0.56 1.0 0.02 0.02) = 0.061% HA GLN 102 - HB3 LYS+ 32 16.667% * 0.0611% (0.56 1.0 0.02 1.55) = 0.061% HB THR 79 - HB3 LYS+ 32 16.667% * 0.0611% (0.56 1.0 0.02 0.02) = 0.061% HA GLU- 50 - HB3 LYS+ 32 16.667% * 0.0146% (0.13 1.0 0.02 0.02) = 0.015% Peak 1857 (4.24, 2.24, 36.46 ppm): 96 chemical-shift based assignments, quality = 0.592, support = 2.01, residual support = 10.4: O HA GLU- 10 - HG3 GLU- 10 1.042% * 48.6599% (0.96 10.0 1.00 2.69 14.46) = 48.660% kept O HA GLU- 54 - HG3 GLU- 54 1.042% * 12.7994% (0.36 10.0 1.00 1.40 17.29) = 12.799% kept O T HA GLU- 56 - HG3 GLU- 56 1.042% * 9.9183% (0.20 10.0 10.00 1.00 1.31) = 9.918% kept O HA GLU- 107 - HG3 GLU- 107 1.042% * 9.7113% (0.20 10.0 1.00 1.88 2.64) = 9.711% kept O HA GLU- 56 - HG2 GLU- 56 1.042% * 6.5958% (0.20 10.0 1.00 1.29 1.31) = 6.596% kept O T HA GLU- 75 - HG3 GLU- 75 1.042% * 4.2643% (0.08 10.0 10.00 1.88 10.58) = 4.264% kept HA ALA 11 - HG3 GLU- 10 1.042% * 2.1810% (0.59 1.0 1.00 1.46 3.82) = 2.181% kept HA LYS+ 108 - HG3 GLU- 107 1.042% * 2.0376% (0.42 1.0 1.00 1.94 8.47) = 2.038% kept T HA ALA 42 - HG3 GLU- 10 1.042% * 0.4812% (0.95 1.0 10.00 0.02 0.02) = 0.481% T HA ALA 42 - HG2 GLU- 56 1.042% * 0.2243% (0.44 1.0 10.00 0.02 0.02) = 0.224% T HA LYS+ 108 - HG3 GLU- 56 1.042% * 0.2193% (0.43 1.0 10.00 0.02 0.02) = 0.219% T HA GLU- 10 - HG3 GLU- 56 1.042% * 0.2193% (0.43 1.0 10.00 0.02 0.02) = 0.219% T HA ALA 42 - HG3 GLU- 56 1.042% * 0.2168% (0.43 1.0 10.00 0.02 0.02) = 0.217% T HB3 SER 49 - HG3 GLU- 10 1.042% * 0.2099% (0.42 1.0 10.00 0.02 0.02) = 0.210% T HA GLU- 10 - HG3 GLU- 75 1.042% * 0.1898% (0.38 1.0 10.00 0.02 0.02) = 0.190% T HA LYS+ 108 - HG3 GLU- 75 1.042% * 0.1898% (0.38 1.0 10.00 0.02 0.02) = 0.190% T HA GLU- 107 - HG3 GLU- 56 1.042% * 0.1077% (0.21 1.0 10.00 0.02 0.02) = 0.108% T HA GLU- 12 - HG3 GLU- 56 1.042% * 0.1077% (0.21 1.0 10.00 0.02 0.02) = 0.108% T HB3 SER 49 - HG2 GLU- 56 1.042% * 0.0978% (0.19 1.0 10.00 0.02 0.02) = 0.098% T HB3 SER 49 - HG3 GLU- 56 1.042% * 0.0946% (0.19 1.0 10.00 0.02 0.02) = 0.095% T HA GLU- 107 - HG3 GLU- 75 1.042% * 0.0932% (0.18 1.0 10.00 0.02 0.02) = 0.093% T HB3 SER 49 - HG3 GLU- 107 1.042% * 0.0905% (0.18 1.0 10.00 0.02 0.02) = 0.090% T HA GLU- 56 - HG3 GLU- 75 1.042% * 0.0859% (0.17 1.0 10.00 0.02 0.02) = 0.086% HA LYS+ 108 - HG3 GLU- 10 1.042% * 0.0487% (0.96 1.0 1.00 0.02 0.02) = 0.049% HA GLU- 54 - HG3 GLU- 10 1.042% * 0.0487% (0.96 1.0 1.00 0.02 0.02) = 0.049% HA SER 49 - HG3 GLU- 10 1.042% * 0.0464% (0.92 1.0 1.00 0.02 0.02) = 0.046% HA GLU- 18 - HG3 GLU- 10 1.042% * 0.0453% (0.90 1.0 1.00 0.02 0.02) = 0.045% HA PRO 59 - HG3 GLU- 10 1.042% * 0.0410% (0.81 1.0 1.00 0.02 0.02) = 0.041% T HA GLU- 64 - HG3 GLU- 75 1.042% * 0.0379% (0.07 1.0 10.00 0.02 0.02) = 0.038% T HA ASP- 82 - HG3 GLU- 56 1.042% * 0.0299% (0.06 1.0 10.00 0.02 0.02) = 0.030% HA ASN 76 - HG3 GLU- 10 1.042% * 0.0258% (0.51 1.0 1.00 0.02 0.02) = 0.026% HA GLU- 107 - HG3 GLU- 10 1.042% * 0.0239% (0.47 1.0 1.00 0.02 0.02) = 0.024% HA GLU- 12 - HG3 GLU- 10 1.042% * 0.0239% (0.47 1.0 1.00 0.02 0.02) = 0.024% HA GLU- 54 - HG2 GLU- 56 1.042% * 0.0227% (0.45 1.0 1.00 0.02 0.02) = 0.023% HA GLU- 10 - HG2 GLU- 56 1.042% * 0.0227% (0.45 1.0 1.00 0.02 0.02) = 0.023% HA LYS+ 108 - HG2 GLU- 56 1.042% * 0.0227% (0.45 1.0 1.00 0.02 0.02) = 0.023% HA GLU- 56 - HG3 GLU- 10 1.042% * 0.0220% (0.44 1.0 1.00 0.02 0.02) = 0.022% HA GLU- 54 - HG3 GLU- 56 1.042% * 0.0219% (0.43 1.0 1.00 0.02 0.02) = 0.022% HA SER 49 - HG2 GLU- 56 1.042% * 0.0216% (0.43 1.0 1.00 0.02 0.02) = 0.022% HA GLU- 18 - HG2 GLU- 56 1.042% * 0.0211% (0.42 1.0 1.00 0.02 0.02) = 0.021% HA GLU- 54 - HG3 GLU- 107 1.042% * 0.0210% (0.42 1.0 1.00 0.02 0.02) = 0.021% HA GLU- 10 - HG3 GLU- 107 1.042% * 0.0210% (0.42 1.0 1.00 0.02 0.02) = 0.021% HA SER 49 - HG3 GLU- 56 1.042% * 0.0209% (0.41 1.0 1.00 0.02 0.02) = 0.021% HA ALA 42 - HG3 GLU- 107 1.042% * 0.0207% (0.41 1.0 1.00 0.02 0.02) = 0.021% HA GLU- 18 - HG3 GLU- 56 1.042% * 0.0204% (0.40 1.0 1.00 0.02 0.02) = 0.020% HA SER 49 - HG3 GLU- 107 1.042% * 0.0200% (0.40 1.0 1.00 0.02 0.02) = 0.020% HA GLU- 18 - HG3 GLU- 107 1.042% * 0.0195% (0.39 1.0 1.00 0.02 0.02) = 0.020% HA PRO 59 - HG2 GLU- 56 1.042% * 0.0191% (0.38 1.0 1.00 0.02 0.02) = 0.019% HA GLU- 54 - HG3 GLU- 75 1.042% * 0.0190% (0.38 1.0 1.00 0.02 0.18) = 0.019% HA ALA 42 - HG3 GLU- 75 1.042% * 0.0188% (0.37 1.0 1.00 0.02 0.02) = 0.019% HA PRO 59 - HG3 GLU- 56 1.042% * 0.0185% (0.37 1.0 1.00 0.02 0.02) = 0.018% HA LYS+ 108 - HG3 GLU- 54 1.042% * 0.0183% (0.36 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 10 - HG3 GLU- 54 1.042% * 0.0183% (0.36 1.0 1.00 0.02 0.02) = 0.018% HA SER 49 - HG3 GLU- 75 1.042% * 0.0181% (0.36 1.0 1.00 0.02 0.27) = 0.018% HA ALA 42 - HG3 GLU- 54 1.042% * 0.0181% (0.36 1.0 1.00 0.02 0.02) = 0.018% HA PRO 59 - HG3 GLU- 107 1.042% * 0.0177% (0.35 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 18 - HG3 GLU- 75 1.042% * 0.0177% (0.35 1.0 1.00 0.02 0.02) = 0.018% HA SER 49 - HG3 GLU- 54 1.042% * 0.0175% (0.35 1.0 1.00 0.02 0.02) = 0.017% HA GLU- 18 - HG3 GLU- 54 1.042% * 0.0170% (0.34 1.0 1.00 0.02 0.18) = 0.017% HA PRO 59 - HG3 GLU- 75 1.042% * 0.0160% (0.32 1.0 1.00 0.02 0.02) = 0.016% HA PRO 59 - HG3 GLU- 54 1.042% * 0.0154% (0.30 1.0 1.00 0.02 0.02) = 0.015% HA ALA 11 - HG2 GLU- 56 1.042% * 0.0139% (0.27 1.0 1.00 0.02 0.02) = 0.014% HA ALA 11 - HG3 GLU- 56 1.042% * 0.0134% (0.27 1.0 1.00 0.02 0.02) = 0.013% HA ALA 11 - HG3 GLU- 107 1.042% * 0.0128% (0.25 1.0 1.00 0.02 0.02) = 0.013% HA ASN 76 - HG2 GLU- 56 1.042% * 0.0120% (0.24 1.0 1.00 0.02 0.02) = 0.012% HA ASN 76 - HG3 GLU- 56 1.042% * 0.0116% (0.23 1.0 1.00 0.02 0.02) = 0.012% HA ALA 11 - HG3 GLU- 75 1.042% * 0.0116% (0.23 1.0 1.00 0.02 0.02) = 0.012% HA ALA 11 - HG3 GLU- 54 1.042% * 0.0112% (0.22 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 107 - HG2 GLU- 56 1.042% * 0.0111% (0.22 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 12 - HG2 GLU- 56 1.042% * 0.0111% (0.22 1.0 1.00 0.02 0.02) = 0.011% HA ASN 76 - HG3 GLU- 107 1.042% * 0.0111% (0.22 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 75 - HG3 GLU- 10 1.042% * 0.0109% (0.22 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 12 - HG3 GLU- 107 1.042% * 0.0103% (0.20 1.0 1.00 0.02 0.02) = 0.010% HA ASN 76 - HG3 GLU- 75 1.042% * 0.0101% (0.20 1.0 1.00 0.02 0.10) = 0.010% HA GLU- 64 - HG3 GLU- 10 1.042% * 0.0097% (0.19 1.0 1.00 0.02 0.02) = 0.010% HA ASN 76 - HG3 GLU- 54 1.042% * 0.0097% (0.19 1.0 1.00 0.02 0.02) = 0.010% HA GLU- 56 - HG3 GLU- 107 1.042% * 0.0095% (0.19 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 12 - HG3 GLU- 75 1.042% * 0.0093% (0.18 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 12 - HG3 GLU- 54 1.042% * 0.0090% (0.18 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 107 - HG3 GLU- 54 1.042% * 0.0090% (0.18 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 56 - HG3 GLU- 54 1.042% * 0.0083% (0.16 1.0 1.00 0.02 0.02) = 0.008% HB3 SER 49 - HG3 GLU- 75 1.042% * 0.0082% (0.16 1.0 1.00 0.02 0.27) = 0.008% HB3 SER 49 - HG3 GLU- 54 1.042% * 0.0079% (0.16 1.0 1.00 0.02 0.02) = 0.008% HA ASP- 82 - HG3 GLU- 10 1.042% * 0.0066% (0.13 1.0 1.00 0.02 0.02) = 0.007% HA GLU- 75 - HG2 GLU- 56 1.042% * 0.0051% (0.10 1.0 1.00 0.02 0.02) = 0.005% HA GLU- 75 - HG3 GLU- 56 1.042% * 0.0049% (0.10 1.0 1.00 0.02 0.02) = 0.005% HA GLU- 75 - HG3 GLU- 107 1.042% * 0.0047% (0.09 1.0 1.00 0.02 0.02) = 0.005% HA GLU- 64 - HG2 GLU- 56 1.042% * 0.0045% (0.09 1.0 1.00 0.02 0.39) = 0.005% HA GLU- 64 - HG3 GLU- 56 1.042% * 0.0044% (0.09 1.0 1.00 0.02 0.39) = 0.004% HA GLU- 64 - HG3 GLU- 107 1.042% * 0.0042% (0.08 1.0 1.00 0.02 0.02) = 0.004% HA GLU- 75 - HG3 GLU- 54 1.042% * 0.0041% (0.08 1.0 1.00 0.02 0.18) = 0.004% HA GLU- 64 - HG3 GLU- 54 1.042% * 0.0037% (0.07 1.0 1.00 0.02 0.12) = 0.004% HA ASP- 82 - HG2 GLU- 56 1.042% * 0.0031% (0.06 1.0 1.00 0.02 0.02) = 0.003% HA ASP- 82 - HG3 GLU- 107 1.042% * 0.0029% (0.06 1.0 1.00 0.02 0.02) = 0.003% HA ASP- 82 - HG3 GLU- 75 1.042% * 0.0026% (0.05 1.0 1.00 0.02 0.02) = 0.003% HA ASP- 82 - HG3 GLU- 54 1.042% * 0.0025% (0.05 1.0 1.00 0.02 0.23) = 0.002% Peak 1874 (2.24, 2.24, 36.44 ppm): 6 diagonal assignments: HG3 GLU- 10 - HG3 GLU- 10 (0.99) kept HG2 GLU- 56 - HG2 GLU- 56 (0.41) kept HG3 GLU- 56 - HG3 GLU- 56 (0.39) kept HG3 GLU- 107 - HG3 GLU- 107 (0.21) 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): 60 chemical-shift based assignments, quality = 0.458, support = 2.02, residual support = 9.92: O T HB3 GLU- 10 - HG3 GLU- 10 1.667% * 45.4118% (0.66 10.0 10.00 2.52 14.46) = 45.412% kept O T HB3 GLU- 107 - HG3 GLU- 107 1.667% * 25.5026% (0.37 10.0 10.00 1.72 2.64) = 25.503% kept O HB3 GLU- 75 - HG3 GLU- 75 1.667% * 9.6240% (0.14 10.0 1.00 3.10 10.58) = 9.624% kept O HB3 GLU- 54 - HG3 GLU- 54 1.667% * 9.5913% (0.20 10.0 1.00 1.40 17.29) = 9.591% kept T HB2 HIS+ 14 - HG3 GLU- 10 1.667% * 3.3550% (0.92 1.0 10.00 0.11 0.02) = 3.355% kept T HB3 GLU- 75 - HG3 GLU- 10 1.667% * 1.0296% (0.33 1.0 10.00 0.09 0.02) = 1.030% kept T HB3 GLU- 75 - HG2 GLU- 56 1.667% * 0.7023% (0.14 1.0 10.00 0.15 0.02) = 0.702% T HB3 GLU- 75 - HG3 GLU- 56 1.667% * 0.6689% (0.13 1.0 10.00 0.15 0.02) = 0.669% T HB3 GLU- 107 - HG3 GLU- 10 1.667% * 0.6103% (0.88 1.0 10.00 0.02 0.02) = 0.610% T HB2 HIS+ 14 - HG3 GLU- 107 1.667% * 0.2666% (0.39 1.0 10.00 0.02 0.02) = 0.267% T HB2 HIS+ 14 - HG2 GLU- 56 1.667% * 0.2657% (0.38 1.0 10.00 0.02 0.02) = 0.266% T HB3 GLU- 107 - HG2 GLU- 56 1.667% * 0.2541% (0.37 1.0 10.00 0.02 0.02) = 0.254% T HB2 HIS+ 14 - HG3 GLU- 56 1.667% * 0.2530% (0.37 1.0 10.00 0.02 0.02) = 0.253% T HB3 GLU- 107 - HG3 GLU- 56 1.667% * 0.2420% (0.35 1.0 10.00 0.02 0.02) = 0.242% T HB2 HIS+ 14 - HG3 GLU- 54 1.667% * 0.2336% (0.34 1.0 10.00 0.02 0.02) = 0.234% T HB3 GLU- 107 - HG3 GLU- 54 1.667% * 0.2234% (0.32 1.0 10.00 0.02 0.02) = 0.223% T HB3 GLU- 10 - HG3 GLU- 107 1.667% * 0.1898% (0.27 1.0 10.00 0.02 0.02) = 0.190% T HB3 GLU- 10 - HG2 GLU- 56 1.667% * 0.1891% (0.27 1.0 10.00 0.02 0.02) = 0.189% T HB3 GLU- 10 - HG3 GLU- 56 1.667% * 0.1801% (0.26 1.0 10.00 0.02 0.02) = 0.180% T HB3 GLU- 10 - HG3 GLU- 54 1.667% * 0.1662% (0.24 1.0 10.00 0.02 0.02) = 0.166% T HB3 GLU- 75 - HG3 GLU- 107 1.667% * 0.0950% (0.14 1.0 10.00 0.02 0.02) = 0.095% T HB3 GLU- 75 - HG3 GLU- 54 1.667% * 0.0833% (0.12 1.0 10.00 0.02 0.18) = 0.083% HB2 GLU- 18 - HG3 GLU- 10 1.667% * 0.0660% (0.95 1.0 1.00 0.02 0.02) = 0.066% HG2 PRO 86 - HG3 GLU- 10 1.667% * 0.0610% (0.88 1.0 1.00 0.02 0.02) = 0.061% HB3 PRO 31 - HG3 GLU- 10 1.667% * 0.0505% (0.73 1.0 1.00 0.02 0.02) = 0.051% HB3 GLU- 54 - HG3 GLU- 10 1.667% * 0.0374% (0.54 1.0 1.00 0.02 0.02) = 0.037% HB3 GLU- 45 - HG3 GLU- 10 1.667% * 0.0348% (0.50 1.0 1.00 0.02 0.02) = 0.035% HB2 GLU- 18 - HG3 GLU- 75 1.667% * 0.0279% (0.40 1.0 1.00 0.02 0.02) = 0.028% HB2 GLU- 18 - HG3 GLU- 107 1.667% * 0.0276% (0.40 1.0 1.00 0.02 0.02) = 0.028% HB2 GLU- 18 - HG2 GLU- 56 1.667% * 0.0275% (0.40 1.0 1.00 0.02 0.02) = 0.027% HB2 HIS+ 14 - HG3 GLU- 75 1.667% * 0.0270% (0.39 1.0 1.00 0.02 0.02) = 0.027% HB2 GLU- 18 - HG3 GLU- 56 1.667% * 0.0262% (0.38 1.0 1.00 0.02 0.02) = 0.026% HG2 PRO 86 - HG3 GLU- 75 1.667% * 0.0258% (0.37 1.0 1.00 0.02 1.98) = 0.026% HB3 GLU- 107 - HG3 GLU- 75 1.667% * 0.0258% (0.37 1.0 1.00 0.02 0.02) = 0.026% HG2 PRO 86 - HG3 GLU- 107 1.667% * 0.0255% (0.37 1.0 1.00 0.02 0.02) = 0.026% HG2 PRO 86 - HG2 GLU- 56 1.667% * 0.0254% (0.37 1.0 1.00 0.02 0.02) = 0.025% HG2 PRO 86 - HG3 GLU- 56 1.667% * 0.0242% (0.35 1.0 1.00 0.02 0.02) = 0.024% HB2 GLU- 18 - HG3 GLU- 54 1.667% * 0.0241% (0.35 1.0 1.00 0.02 0.18) = 0.024% HG2 PRO 86 - HG3 GLU- 54 1.667% * 0.0223% (0.32 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 31 - HG3 GLU- 75 1.667% * 0.0214% (0.31 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 31 - HG3 GLU- 107 1.667% * 0.0211% (0.30 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 31 - HG2 GLU- 56 1.667% * 0.0210% (0.30 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 31 - HG3 GLU- 56 1.667% * 0.0200% (0.29 1.0 1.00 0.02 0.02) = 0.020% HB3 GLU- 10 - HG3 GLU- 75 1.667% * 0.0192% (0.28 1.0 1.00 0.02 0.02) = 0.019% HB3 PRO 31 - HG3 GLU- 54 1.667% * 0.0185% (0.27 1.0 1.00 0.02 0.02) = 0.018% HB2 LYS+ 108 - HG3 GLU- 10 1.667% * 0.0165% (0.24 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 54 - HG3 GLU- 75 1.667% * 0.0158% (0.23 1.0 1.00 0.02 0.18) = 0.016% HB3 GLU- 54 - HG3 GLU- 107 1.667% * 0.0156% (0.23 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 54 - HG2 GLU- 56 1.667% * 0.0156% (0.23 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 54 - HG3 GLU- 56 1.667% * 0.0148% (0.21 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 45 - HG3 GLU- 75 1.667% * 0.0147% (0.21 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 45 - HG3 GLU- 107 1.667% * 0.0145% (0.21 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 45 - HG2 GLU- 56 1.667% * 0.0145% (0.21 1.0 1.00 0.02 0.02) = 0.014% HB3 GLU- 45 - HG3 GLU- 56 1.667% * 0.0138% (0.20 1.0 1.00 0.02 0.02) = 0.014% HB3 GLU- 45 - HG3 GLU- 54 1.667% * 0.0127% (0.18 1.0 1.00 0.02 0.02) = 0.013% HB2 LYS+ 108 - HG3 GLU- 75 1.667% * 0.0070% (0.10 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 108 - HG3 GLU- 107 1.667% * 0.0069% (0.10 1.0 1.00 0.02 8.47) = 0.007% HB2 LYS+ 108 - HG2 GLU- 56 1.667% * 0.0069% (0.10 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 108 - HG3 GLU- 56 1.667% * 0.0065% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 108 - HG3 GLU- 54 1.667% * 0.0060% (0.09 1.0 1.00 0.02 0.02) = 0.006% 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): 2 chemical-shift based assignments, quality = 0.861, support = 5.7, residual support = 114.8: O T QD1 ILE 101 - HB ILE 101 50.000% * 99.9769% (0.86 10.0 10.00 5.71 114.85) = 99.977% kept QD1 LEU 23 - HB ILE 101 50.000% * 0.0231% (0.20 1.0 1.00 0.02 1.57) = 0.023% Peak 1893 (4.97, 2.05, 35.94 ppm): 14 chemical-shift based assignments, quality = 0.0991, support = 3.16, residual support = 45.8: O HA PRO 31 - HB3 PRO 31 7.143% * 62.9543% (0.09 10.0 2.76 28.87) = 62.954% kept O HA ILE 101 - HB ILE 101 7.143% * 24.0855% (0.04 10.0 5.74 114.85) = 24.086% kept HA ALA 33 - HB3 PRO 31 7.143% * 5.0420% (0.30 1.0 0.50 0.02) = 5.042% kept HA MET 97 - HB3 PRO 31 7.143% * 3.5281% (0.37 1.0 0.28 0.02) = 3.528% kept HA HIS+ 98 - HB3 PRO 31 7.143% * 2.0525% (0.17 1.0 0.36 0.02) = 2.052% kept HA HIS+ 98 - HB ILE 101 7.143% * 0.9829% (0.08 1.0 0.36 0.11) = 0.983% HA ILE 101 - HB3 PRO 31 7.143% * 0.7891% (0.07 1.0 0.32 0.24) = 0.789% HA SER 69 - HB3 PRO 31 7.143% * 0.1633% (0.24 1.0 0.02 0.02) = 0.163% HA MET 97 - HB ILE 101 7.143% * 0.1217% (0.18 1.0 0.02 0.02) = 0.122% HA ALA 33 - HB ILE 101 7.143% * 0.0975% (0.14 1.0 0.02 1.34) = 0.097% HA SER 69 - HB ILE 101 7.143% * 0.0787% (0.12 1.0 0.02 0.02) = 0.079% HA ILE 68 - HB3 PRO 31 7.143% * 0.0500% (0.07 1.0 0.02 0.02) = 0.050% HA PRO 31 - HB ILE 101 7.143% * 0.0303% (0.04 1.0 0.02 0.24) = 0.030% HA ILE 68 - HB ILE 101 7.143% * 0.0241% (0.04 1.0 0.02 0.02) = 0.024% 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): 7 chemical-shift based assignments, quality = 0.75, support = 4.5, residual support = 113.8: O HG12 ILE 101 - HB ILE 101 14.286% * 99.0541% (0.76 10.0 4.54 114.85) = 99.054% kept HG LEU 43 - HB ILE 101 14.286% * 0.6096% (0.75 1.0 0.12 0.02) = 0.610% HG LEU 23 - HB ILE 101 14.286% * 0.0991% (0.76 1.0 0.02 1.57) = 0.099% HB ILE 68 - HB ILE 101 14.286% * 0.0984% (0.75 1.0 0.02 0.02) = 0.098% HG3 LYS+ 78 - HB ILE 101 14.286% * 0.0829% (0.63 1.0 0.02 0.02) = 0.083% HB3 ARG+ 22 - HB ILE 101 14.286% * 0.0339% (0.26 1.0 0.02 0.02) = 0.034% HD3 LYS+ 32 - HB ILE 101 14.286% * 0.0221% (0.17 1.0 0.02 0.46) = 0.022% Peak 1896 (1.28, 2.07, 36.14 ppm): 6 chemical-shift based assignments, quality = 0.886, support = 4.42, residual support = 111.7: O HG13 ILE 101 - HB ILE 101 16.667% * 97.2818% (0.89 10.0 4.54 114.85) = 97.282% kept HB3 LEU 74 - HB ILE 101 16.667% * 1.3077% (0.75 1.0 0.32 0.13) = 1.308% kept HG2 LYS+ 32 - HB ILE 101 16.667% * 1.1855% (0.58 1.0 0.37 0.46) = 1.185% kept HG2 LYS+ 81 - HB ILE 101 16.667% * 0.0947% (0.87 1.0 0.02 0.10) = 0.095% HB2 LYS+ 55 - HB ILE 101 16.667% * 0.0786% (0.72 1.0 0.02 0.02) = 0.079% QB ALA 103 - HB ILE 101 16.667% * 0.0516% (0.47 1.0 0.02 0.02) = 0.052% Peak 1897 (0.72, 2.07, 36.17 ppm): 8 chemical-shift based assignments, quality = 0.774, support = 5.63, residual support = 105.8: O QG2 ILE 101 - HB ILE 101 12.500% * 92.1034% (0.77 10.0 6.08 114.85) = 92.103% kept QG2 ILE 48 - HB ILE 101 12.500% * 2.8403% (0.76 1.0 0.63 0.20) = 2.840% kept HG LEU 74 - HB ILE 101 12.500% * 2.2055% (0.94 1.0 0.39 0.13) = 2.206% kept QG2 THR 96 - HB ILE 101 12.500% * 1.3946% (0.68 1.0 0.34 0.02) = 1.395% kept QG1 VAL 40 - HB ILE 101 12.500% * 1.3236% (0.68 1.0 0.33 0.69) = 1.324% kept QD1 ILE 68 - HB ILE 101 12.500% * 0.0770% (0.65 1.0 0.02 0.02) = 0.077% HG3 LYS+ 66 - HB ILE 101 12.500% * 0.0383% (0.32 1.0 0.02 2.25) = 0.038% QD1 ILE 19 - HB ILE 101 12.500% * 0.0173% (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 = 0.746, support = 4.41, residual support = 29.8: O HN LYS+ 60 - HB3 LYS+ 60 11.111% * 95.4905% (0.75 10.0 4.60 31.24) = 95.491% kept HN LYS+ 32 - HB3 LYS+ 60 11.111% * 2.3509% (0.58 1.0 0.64 0.02) = 2.351% kept HN LYS+ 60 - HB2 LYS+ 66 11.111% * 1.4335% (0.86 1.0 0.26 0.02) = 1.433% kept HN ASN 57 - HB3 LYS+ 60 11.111% * 0.5313% (0.48 1.0 0.18 0.02) = 0.531% HN LYS+ 32 - HB2 LYS+ 66 11.111% * 0.0831% (0.66 1.0 0.02 0.02) = 0.083% HN ASN 57 - HB2 LYS+ 66 11.111% * 0.0685% (0.54 1.0 0.02 0.02) = 0.068% HN LYS+ 60 - HB3 LYS+ 72 11.111% * 0.0176% (0.14 1.0 0.02 0.02) = 0.018% HN LYS+ 32 - HB3 LYS+ 72 11.111% * 0.0135% (0.11 1.0 0.02 0.02) = 0.014% HN ASN 57 - HB3 LYS+ 72 11.111% * 0.0111% (0.09 1.0 0.02 0.02) = 0.011% Peak 1912 (4.43, 1.66, 34.55 ppm): 10 chemical-shift based assignments, quality = 0.612, support = 2.74, residual support = 16.4: O HA LYS+ 66 - HB3 LYS+ 66 10.000% * 99.3325% (0.62 10.0 2.75 16.53) = 99.332% kept HB THR 24 - HB3 LYS+ 66 10.000% * 0.1443% (0.89 1.0 0.02 0.02) = 0.144% HB THR 24 - HB3 MET 97 10.000% * 0.1370% (0.85 1.0 0.02 0.02) = 0.137% HA LYS+ 66 - HB3 MET 97 10.000% * 0.0943% (0.58 1.0 0.02 0.02) = 0.094% HA HIS+ 14 - HB3 LYS+ 66 10.000% * 0.0648% (0.40 1.0 0.02 0.02) = 0.065% HA HIS+ 14 - HB3 MET 97 10.000% * 0.0616% (0.38 1.0 0.02 0.02) = 0.062% HA PRO 86 - HB3 LYS+ 66 10.000% * 0.0446% (0.28 1.0 0.02 0.02) = 0.045% HA PRO 86 - HB3 MET 97 10.000% * 0.0424% (0.26 1.0 0.02 0.02) = 0.042% HA GLU- 50 - HB3 LYS+ 66 10.000% * 0.0402% (0.25 1.0 0.02 0.02) = 0.040% HA GLU- 50 - HB3 MET 97 10.000% * 0.0382% (0.24 1.0 0.02 0.02) = 0.038% Peak 1913 (4.37, 1.85, 34.50 ppm): 18 chemical-shift based assignments, quality = 0.799, support = 3.26, residual support = 26.2: O T HA LYS+ 60 - HB3 LYS+ 60 5.556% * 77.7032% (0.80 10.0 10.00 3.63 31.24) = 77.703% kept HB THR 61 - HB3 LYS+ 60 5.556% * 13.2668% (0.87 1.0 1.00 3.16 14.63) = 13.267% kept T HA LYS+ 60 - HB2 LYS+ 66 5.556% * 4.6446% (0.89 1.0 10.00 0.11 0.02) = 4.645% kept HB THR 61 - HB2 LYS+ 66 5.556% * 2.0414% (0.96 1.0 1.00 0.44 0.02) = 2.041% kept T HA TRP 51 - HB2 LYS+ 66 5.556% * 0.8797% (0.91 1.0 10.00 0.02 0.02) = 0.880% T HA TRP 51 - HB3 LYS+ 60 5.556% * 0.7963% (0.82 1.0 10.00 0.02 0.02) = 0.796% HA2 GLY 26 - HB2 LYS+ 66 5.556% * 0.0898% (0.93 1.0 1.00 0.02 0.02) = 0.090% HA2 GLY 26 - HB3 LYS+ 60 5.556% * 0.0812% (0.84 1.0 1.00 0.02 0.02) = 0.081% HA ALA 37 - HB2 LYS+ 66 5.556% * 0.0777% (0.80 1.0 1.00 0.02 0.02) = 0.078% HA SER 27 - HB2 LYS+ 66 5.556% * 0.0745% (0.77 1.0 1.00 0.02 0.02) = 0.074% HA ALA 37 - HB3 LYS+ 60 5.556% * 0.0703% (0.73 1.0 1.00 0.02 0.02) = 0.070% HA SER 27 - HB3 LYS+ 60 5.556% * 0.0674% (0.70 1.0 1.00 0.02 0.02) = 0.067% HA ALA 91 - HB2 LYS+ 66 5.556% * 0.0527% (0.54 1.0 1.00 0.02 0.02) = 0.053% HA ALA 91 - HB3 LYS+ 60 5.556% * 0.0477% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA SER 88 - HB2 LYS+ 66 5.556% * 0.0417% (0.43 1.0 1.00 0.02 0.02) = 0.042% HA SER 88 - HB3 LYS+ 60 5.556% * 0.0377% (0.39 1.0 1.00 0.02 0.02) = 0.038% HA ASN 57 - HB2 LYS+ 66 5.556% * 0.0143% (0.15 1.0 1.00 0.02 0.02) = 0.014% HA ASN 57 - HB3 LYS+ 60 5.556% * 0.0130% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 1914 (2.24, 1.67, 34.43 ppm): 32 chemical-shift based assignments, quality = 0.317, support = 1.64, residual support = 4.73: O HG3 MET 97 - HB3 MET 97 3.125% * 91.0941% (0.32 10.0 1.79 5.19) = 91.094% kept HG3 GLU- 18 - HB3 MET 97 3.125% * 2.3827% (0.50 1.0 0.30 0.02) = 2.383% kept HB3 PRO 35 - HB3 LYS+ 66 3.125% * 1.1230% (0.81 1.0 0.09 0.02) = 1.123% kept HG3 GLU- 56 - HB3 MET 97 3.125% * 0.2982% (0.95 1.0 0.02 0.02) = 0.298% HG3 GLU- 10 - HB3 MET 97 3.125% * 0.2930% (0.93 1.0 0.02 0.02) = 0.293% HG3 GLU- 56 - HB3 LYS+ 66 3.125% * 0.2904% (0.93 1.0 0.02 0.02) = 0.290% HG2 GLU- 56 - HB3 MET 97 3.125% * 0.2884% (0.92 1.0 0.02 0.02) = 0.288% HG3 GLU- 10 - HB3 LYS+ 66 3.125% * 0.2853% (0.91 1.0 0.02 0.02) = 0.285% HG2 GLU- 56 - HB3 LYS+ 66 3.125% * 0.2809% (0.90 1.0 0.02 0.02) = 0.281% HB3 ASN 15 - HB3 MET 97 3.125% * 0.2681% (0.85 1.0 0.02 0.02) = 0.268% HB3 PRO 35 - HB3 MET 97 3.125% * 0.2623% (0.84 1.0 0.02 0.02) = 0.262% HB3 ASN 15 - HB3 LYS+ 66 3.125% * 0.2610% (0.83 1.0 0.02 0.02) = 0.261% HB3 PRO 52 - HB3 MET 97 3.125% * 0.2393% (0.76 1.0 0.02 0.02) = 0.239% HB3 PRO 52 - HB3 LYS+ 66 3.125% * 0.2331% (0.74 1.0 0.02 0.02) = 0.233% HG2 GLU- 64 - HB3 MET 97 3.125% * 0.2240% (0.71 1.0 0.02 0.02) = 0.224% HG2 GLU- 64 - HB3 LYS+ 66 3.125% * 0.2181% (0.70 1.0 0.02 0.02) = 0.218% HG3 GLN 102 - HB3 MET 97 3.125% * 0.1934% (0.62 1.0 0.02 0.02) = 0.193% HG3 GLN 102 - HB3 LYS+ 66 3.125% * 0.1883% (0.60 1.0 0.02 0.02) = 0.188% HG3 GLU- 18 - HB3 LYS+ 66 3.125% * 0.1531% (0.49 1.0 0.02 0.02) = 0.153% HG3 GLU- 107 - HB3 MET 97 3.125% * 0.1340% (0.43 1.0 0.02 0.02) = 0.134% HB2 GLU- 50 - HB3 MET 97 3.125% * 0.1340% (0.43 1.0 0.02 0.02) = 0.134% HG3 GLU- 107 - HB3 LYS+ 66 3.125% * 0.1305% (0.42 1.0 0.02 0.02) = 0.130% HB2 GLU- 50 - HB3 LYS+ 66 3.125% * 0.1305% (0.42 1.0 0.02 0.02) = 0.130% HG3 GLU- 64 - HB3 MET 97 3.125% * 0.1269% (0.40 1.0 0.02 0.02) = 0.127% HG3 GLU- 64 - HB3 LYS+ 66 3.125% * 0.1236% (0.39 1.0 0.02 0.02) = 0.124% HA1 GLY 58 - HB3 MET 97 3.125% * 0.1232% (0.39 1.0 0.02 0.02) = 0.123% HA1 GLY 58 - HB3 LYS+ 66 3.125% * 0.1200% (0.38 1.0 0.02 0.02) = 0.120% HG3 GLU- 54 - HB3 MET 97 3.125% * 0.1122% (0.36 1.0 0.02 0.02) = 0.112% HG3 GLU- 54 - HB3 LYS+ 66 3.125% * 0.1092% (0.35 1.0 0.02 0.02) = 0.109% HG3 MET 97 - HB3 LYS+ 66 3.125% * 0.0993% (0.32 1.0 0.02 0.02) = 0.099% HB VAL 80 - HB3 MET 97 3.125% * 0.0405% (0.13 1.0 0.02 0.02) = 0.040% HB VAL 80 - HB3 LYS+ 66 3.125% * 0.0394% (0.13 1.0 0.02 0.02) = 0.039% Peak 1915 (2.14, 2.36, 34.32 ppm): 13 chemical-shift based assignments, quality = 0.274, support = 2.73, residual support = 18.0: O HB3 LYS+ 78 - HB2 LYS+ 78 7.692% * 74.1672% (0.26 10.0 1.00 3.53 24.26) = 74.167% kept T HB2 ASP- 28 - HB2 LYS+ 78 7.692% * 22.6503% (0.34 1.0 10.00 0.47 0.12) = 22.650% kept HG3 GLU- 64 - HB2 LYS+ 78 7.692% * 1.3247% (0.33 1.0 1.00 0.28 0.02) = 1.325% kept HG2 GLU- 64 - HB2 LYS+ 78 7.692% * 0.9609% (0.25 1.0 1.00 0.27 0.02) = 0.961% HB3 PRO 35 - HB2 LYS+ 78 7.692% * 0.5210% (0.15 1.0 1.00 0.24 0.02) = 0.521% HG2 GLU- 45 - HB2 LYS+ 78 7.692% * 0.0811% (0.28 1.0 1.00 0.02 0.02) = 0.081% HB3 GLU- 75 - HB2 LYS+ 78 7.692% * 0.0743% (0.26 1.0 1.00 0.02 0.02) = 0.074% HB VAL 105 - HB2 LYS+ 78 7.692% * 0.0628% (0.22 1.0 1.00 0.02 0.02) = 0.063% HB VAL 47 - HB2 LYS+ 78 7.692% * 0.0589% (0.21 1.0 1.00 0.02 0.02) = 0.059% HB VAL 87 - HB2 LYS+ 78 7.692% * 0.0364% (0.13 1.0 1.00 0.02 0.02) = 0.036% HA1 GLY 58 - HB2 LYS+ 78 7.692% * 0.0242% (0.08 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 104 - HB2 LYS+ 78 7.692% * 0.0192% (0.07 1.0 1.00 0.02 0.02) = 0.019% HB3 LEU 43 - HB2 LYS+ 78 7.692% * 0.0192% (0.07 1.0 1.00 0.02 0.02) = 0.019% Peak 1916 (1.68, 1.85, 34.48 ppm): 21 chemical-shift based assignments, quality = 0.303, support = 1.83, residual support = 11.9: O HB3 LYS+ 66 - HB2 LYS+ 66 4.762% * 70.9086% (0.30 10.0 1.00 2.38 16.53) = 70.909% kept T HB ILE 100 - HB3 LYS+ 60 4.762% * 20.2769% (0.31 1.0 10.00 0.56 1.08) = 20.277% kept HG3 ARG+ 84 - HB3 LYS+ 60 4.762% * 2.9116% (0.56 1.0 1.00 0.44 0.02) = 2.912% kept HB3 MET 97 - HB3 LYS+ 60 4.762% * 2.5709% (0.40 1.0 1.00 0.55 0.02) = 2.571% kept HB3 LYS+ 66 - HB3 LYS+ 60 4.762% * 0.8877% (0.28 1.0 1.00 0.27 0.02) = 0.888% T HB ILE 100 - HB2 LYS+ 66 4.762% * 0.7802% (0.33 1.0 10.00 0.02 3.43) = 0.780% HG13 ILE 19 - HB2 LYS+ 66 4.762% * 0.2074% (0.88 1.0 1.00 0.02 0.02) = 0.207% HD3 LYS+ 55 - HB2 LYS+ 66 4.762% * 0.2060% (0.87 1.0 1.00 0.02 0.02) = 0.206% HG13 ILE 19 - HB3 LYS+ 60 4.762% * 0.1931% (0.82 1.0 1.00 0.02 0.02) = 0.193% HD3 LYS+ 55 - HB3 LYS+ 60 4.762% * 0.1918% (0.81 1.0 1.00 0.02 0.02) = 0.192% T HB ILE 100 - HB3 LYS+ 72 4.762% * 0.1553% (0.07 1.0 10.00 0.02 0.02) = 0.155% HB3 LYS+ 81 - HB2 LYS+ 66 4.762% * 0.1509% (0.64 1.0 1.00 0.02 0.02) = 0.151% HG3 ARG+ 84 - HB2 LYS+ 66 4.762% * 0.1428% (0.61 1.0 1.00 0.02 0.02) = 0.143% HB3 LYS+ 81 - HB3 LYS+ 60 4.762% * 0.1405% (0.60 1.0 1.00 0.02 0.02) = 0.141% HB3 MET 97 - HB2 LYS+ 66 4.762% * 0.1012% (0.43 1.0 1.00 0.02 0.02) = 0.101% HG13 ILE 19 - HB3 LYS+ 72 4.762% * 0.0413% (0.18 1.0 1.00 0.02 0.02) = 0.041% HD3 LYS+ 55 - HB3 LYS+ 72 4.762% * 0.0410% (0.17 1.0 1.00 0.02 0.02) = 0.041% HB3 LYS+ 81 - HB3 LYS+ 72 4.762% * 0.0300% (0.13 1.0 1.00 0.02 0.02) = 0.030% HG3 ARG+ 84 - HB3 LYS+ 72 4.762% * 0.0284% (0.12 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 97 - HB3 LYS+ 72 4.762% * 0.0201% (0.09 1.0 1.00 0.02 0.02) = 0.020% HB3 LYS+ 66 - HB3 LYS+ 72 4.762% * 0.0141% (0.06 1.0 1.00 0.02 0.02) = 0.014% 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 1918 (1.51, 1.86, 34.37 ppm): 20 chemical-shift based assignments, quality = 0.382, support = 3.98, residual support = 34.5: O HG3 LYS+ 72 - HB3 LYS+ 72 5.000% * 50.1838% (0.39 10.0 3.45 34.74) = 50.184% kept O HB2 LYS+ 72 - HB3 LYS+ 72 5.000% * 49.1901% (0.38 10.0 4.57 34.74) = 49.190% kept HG3 LYS+ 72 - HB2 LYS+ 66 5.000% * 0.0780% (0.60 1.0 0.02 0.02) = 0.078% HB2 LYS+ 72 - HB2 LYS+ 66 5.000% * 0.0765% (0.59 1.0 0.02 0.02) = 0.076% HD3 LYS+ 108 - HB2 LYS+ 66 5.000% * 0.0720% (0.56 1.0 0.02 0.02) = 0.072% HG3 LYS+ 72 - HB3 LYS+ 60 5.000% * 0.0609% (0.47 1.0 0.02 0.02) = 0.061% HB2 LYS+ 72 - HB3 LYS+ 60 5.000% * 0.0597% (0.46 1.0 0.02 0.02) = 0.060% HD3 LYS+ 108 - HB3 LYS+ 60 5.000% * 0.0562% (0.43 1.0 0.02 0.02) = 0.056% HD3 LYS+ 108 - HB3 LYS+ 72 5.000% * 0.0463% (0.36 1.0 0.02 0.02) = 0.046% HG3 LYS+ 72 - HB VAL 94 5.000% * 0.0292% (0.23 1.0 0.02 0.02) = 0.029% HB2 LYS+ 72 - HB VAL 94 5.000% * 0.0286% (0.22 1.0 0.02 0.02) = 0.029% HD3 LYS+ 108 - HB VAL 94 5.000% * 0.0269% (0.21 1.0 0.02 0.02) = 0.027% QB ALA 70 - HB2 LYS+ 66 5.000% * 0.0174% (0.13 1.0 0.02 0.02) = 0.017% HB3 LYS+ 44 - HB2 LYS+ 66 5.000% * 0.0154% (0.12 1.0 0.02 0.02) = 0.015% QB ALA 70 - HB3 LYS+ 60 5.000% * 0.0135% (0.10 1.0 0.02 0.02) = 0.014% HB3 LYS+ 44 - HB3 LYS+ 60 5.000% * 0.0120% (0.09 1.0 0.02 0.11) = 0.012% QB ALA 70 - HB3 LYS+ 72 5.000% * 0.0112% (0.09 1.0 0.02 2.00) = 0.011% HB3 LYS+ 44 - HB3 LYS+ 72 5.000% * 0.0099% (0.08 1.0 0.02 0.02) = 0.010% QB ALA 70 - HB VAL 94 5.000% * 0.0065% (0.05 1.0 0.02 0.02) = 0.006% HB3 LYS+ 44 - HB VAL 94 5.000% * 0.0058% (0.04 1.0 0.02 0.02) = 0.006% Peak 1919 (1.11, 1.85, 34.53 ppm): 8 chemical-shift based assignments, quality = 0.746, support = 1.8, residual support = 10.4: QG2 THR 61 - HB3 LYS+ 60 12.500% * 71.1664% (0.78 2.35 14.63) = 71.166% kept QG2 THR 79 - HB3 LYS+ 60 12.500% * 12.2973% (0.81 0.39 0.02) = 12.297% kept QG2 THR 61 - HB2 LYS+ 66 12.500% * 11.4738% (0.73 0.41 0.02) = 11.474% kept QG2 THR 95 - HB2 LYS+ 66 12.500% * 3.9349% (0.13 0.76 0.35) = 3.935% kept QG2 THR 79 - HB2 LYS+ 66 12.500% * 0.5844% (0.76 0.02 0.02) = 0.584% HG3 LYS+ 32 - HB3 LYS+ 60 12.500% * 0.2234% (0.29 0.02 0.02) = 0.223% HG3 LYS+ 32 - HB2 LYS+ 66 12.500% * 0.2080% (0.27 0.02 0.02) = 0.208% QG2 THR 95 - HB3 LYS+ 60 12.500% * 0.1117% (0.14 0.02 0.02) = 0.112% Peak 1920 (1.10, 1.67, 34.54 ppm): 6 chemical-shift based assignments, quality = 0.414, support = 0.989, residual support = 0.639: T QG2 THR 95 - HB3 MET 97 16.667% * 52.2652% (0.39 10.00 1.42 1.04) = 52.265% kept T QG2 THR 95 - HB3 LYS+ 66 16.667% * 25.7962% (0.38 10.00 0.72 0.35) = 25.796% kept T QG2 THR 61 - HB3 LYS+ 66 16.667% * 14.4218% (0.45 10.00 0.34 0.02) = 14.422% kept T QG2 THR 61 - HB3 MET 97 16.667% * 4.9564% (0.47 10.00 0.11 0.02) = 4.956% kept QG2 THR 79 - HB3 LYS+ 66 16.667% * 2.3813% (0.92 1.00 0.28 0.02) = 2.381% kept QG2 THR 79 - HB3 MET 97 16.667% * 0.1791% (0.96 1.00 0.02 0.02) = 0.179% Peak 1921 (0.90, 1.66, 34.53 ppm): 14 chemical-shift based assignments, quality = 0.861, support = 2.54, residual support = 6.34: QD1 LEU 67 - HB3 LYS+ 66 7.143% * 84.1788% (0.94 2.96 7.53) = 84.179% kept HG12 ILE 68 - HB3 LYS+ 66 7.143% * 4.4387% (0.19 0.76 0.02) = 4.439% kept QD1 LEU 67 - HB3 MET 97 7.143% * 4.3585% (0.93 0.15 0.02) = 4.359% kept QG1 VAL 47 - HB3 LYS+ 66 7.143% * 2.6033% (0.96 0.09 0.02) = 2.603% kept QG2 VAL 40 - HB3 LYS+ 66 7.143% * 0.5891% (0.97 0.02 0.02) = 0.589% QG2 VAL 87 - HB3 LYS+ 66 7.143% * 0.5891% (0.97 0.02 0.02) = 0.589% QG2 VAL 87 - HB3 MET 97 7.143% * 0.5840% (0.96 0.02 0.02) = 0.584% QG2 VAL 40 - HB3 MET 97 7.143% * 0.5840% (0.96 0.02 0.02) = 0.584% QG1 VAL 47 - HB3 MET 97 7.143% * 0.5788% (0.95 0.02 0.02) = 0.579% QG1 VAL 80 - HB3 LYS+ 66 7.143% * 0.4921% (0.81 0.02 0.02) = 0.492% QG1 VAL 80 - HB3 MET 97 7.143% * 0.4878% (0.80 0.02 0.02) = 0.488% QG2 VAL 80 - HB3 LYS+ 66 7.143% * 0.2010% (0.33 0.02 0.02) = 0.201% QG2 VAL 80 - HB3 MET 97 7.143% * 0.1992% (0.33 0.02 0.02) = 0.199% HG12 ILE 68 - HB3 MET 97 7.143% * 0.1156% (0.19 0.02 0.46) = 0.116% Peak 1922 (8.59, 1.88, 34.05 ppm): 8 chemical-shift based assignments, quality = 0.296, support = 3.62, residual support = 12.0: HN VAL 73 - HB3 LYS+ 72 12.500% * 70.8267% (0.25 4.89 16.12) = 70.827% kept HN LYS+ 20 - HB VAL 94 12.500% * 19.9886% (0.45 0.75 2.45) = 19.989% kept HN VAL 73 - HB VAL 94 12.500% * 5.1216% (0.39 0.22 1.15) = 5.122% kept HN VAL 80 - HB VAL 94 12.500% * 2.4528% (0.47 0.09 0.02) = 2.453% kept HN THR 39 - HB VAL 94 12.500% * 0.5723% (0.48 0.02 0.19) = 0.572% HN THR 39 - HB3 LYS+ 72 12.500% * 0.3581% (0.30 0.02 0.02) = 0.358% HN VAL 80 - HB3 LYS+ 72 12.500% * 0.3463% (0.29 0.02 0.02) = 0.346% HN LYS+ 20 - HB3 LYS+ 72 12.500% * 0.3335% (0.28 0.02 0.02) = 0.333% Peak 1923 (8.32, 2.18, 33.96 ppm): 24 chemical-shift based assignments, quality = 0.605, support = 2.87, residual support = 22.6: O HN VAL 99 - HB VAL 99 4.167% * 95.5820% (0.61 10.0 2.98 23.60) = 95.582% kept HN VAL 99 - HG2 GLN 102 4.167% * 3.1461% (0.75 1.0 0.53 0.02) = 3.146% kept HN GLU- 50 - HG2 GLN 16 4.167% * 0.3188% (0.41 1.0 0.10 0.02) = 0.319% HN ASN 76 - HG2 GLN 102 4.167% * 0.1474% (0.94 1.0 0.02 0.02) = 0.147% HN ASN 76 - HB VAL 99 4.167% * 0.1191% (0.76 1.0 0.02 0.02) = 0.119% HN ASN 76 - HG2 GLN 16 4.167% * 0.1004% (0.64 1.0 0.02 0.02) = 0.100% HN GLU- 50 - HG2 GLN 102 4.167% * 0.0956% (0.61 1.0 0.02 0.02) = 0.096% HN VAL 99 - HG2 GLN 16 4.167% * 0.0805% (0.51 1.0 0.02 0.02) = 0.081% HN GLU- 50 - HB VAL 99 4.167% * 0.0772% (0.49 1.0 0.02 0.21) = 0.077% HN ALA 91 - HG2 GLN 102 4.167% * 0.0411% (0.26 1.0 0.02 0.02) = 0.041% HN ASN 76 - HG3 GLN 16 4.167% * 0.0406% (0.26 1.0 0.02 0.02) = 0.041% HN ALA 91 - HB VAL 99 4.167% * 0.0332% (0.21 1.0 0.02 0.02) = 0.033% HN VAL 99 - HG3 GLN 16 4.167% * 0.0325% (0.21 1.0 0.02 0.02) = 0.033% HN ALA 91 - HG2 GLN 16 4.167% * 0.0280% (0.18 1.0 0.02 0.02) = 0.028% HN GLU- 50 - HG3 GLN 16 4.167% * 0.0263% (0.17 1.0 0.02 0.02) = 0.026% HN ASN 76 - HB3 LYS+ 78 4.167% * 0.0220% (0.14 1.0 0.02 0.02) = 0.022% HN ASN 76 - HG3 MET 97 4.167% * 0.0219% (0.14 1.0 0.02 0.02) = 0.022% HN VAL 99 - HB3 LYS+ 78 4.167% * 0.0177% (0.11 1.0 0.02 0.02) = 0.018% HN VAL 99 - HG3 MET 97 4.167% * 0.0176% (0.11 1.0 0.02 0.79) = 0.018% HN GLU- 50 - HB3 LYS+ 78 4.167% * 0.0143% (0.09 1.0 0.02 0.02) = 0.014% HN GLU- 50 - HG3 MET 97 4.167% * 0.0142% (0.09 1.0 0.02 0.02) = 0.014% HN ALA 91 - HG3 GLN 16 4.167% * 0.0113% (0.07 1.0 0.02 0.02) = 0.011% HN ALA 91 - HB3 LYS+ 78 4.167% * 0.0061% (0.04 1.0 0.02 0.02) = 0.006% HN ALA 91 - HG3 MET 97 4.167% * 0.0061% (0.04 1.0 0.02 0.02) = 0.006% Peak 1924 (8.22, 1.85, 33.99 ppm): 20 chemical-shift based assignments, quality = 0.893, support = 3.43, residual support = 44.7: O HN VAL 94 - HB VAL 94 5.000% * 90.6516% (0.93 10.0 3.72 49.31) = 90.652% kept HN GLU- 45 - HB3 LYS+ 72 5.000% * 2.7985% (0.64 1.0 0.90 0.02) = 2.799% kept HN LYS+ 81 - HB3 LYS+ 72 5.000% * 2.1670% (0.44 1.0 1.01 0.02) = 2.167% kept HN VAL 105 - HB VAL 94 5.000% * 1.4002% (0.91 1.0 0.32 0.02) = 1.400% kept HN ALA 11 - HB VAL 94 5.000% * 1.2400% (0.80 1.0 0.32 0.02) = 1.240% kept HN GLU- 45 - HB VAL 94 5.000% * 0.8130% (0.74 1.0 0.23 0.02) = 0.813% HN SER 49 - HB VAL 94 5.000% * 0.2828% (0.77 1.0 0.08 0.02) = 0.283% HN VAL 94 - HB3 LYS+ 72 5.000% * 0.0786% (0.81 1.0 0.02 0.02) = 0.079% HN VAL 105 - HB3 LYS+ 72 5.000% * 0.0771% (0.79 1.0 0.02 0.02) = 0.077% HN ALA 11 - HB3 LYS+ 72 5.000% * 0.0680% (0.70 1.0 0.02 0.02) = 0.068% HN SER 49 - HB3 LYS+ 72 5.000% * 0.0652% (0.67 1.0 0.02 0.02) = 0.065% HN GLY 58 - HB VAL 94 5.000% * 0.0608% (0.62 1.0 0.02 0.02) = 0.061% HN GLY 58 - HB3 LYS+ 72 5.000% * 0.0527% (0.54 1.0 0.02 0.02) = 0.053% HN LYS+ 81 - HB VAL 94 5.000% * 0.0494% (0.51 1.0 0.02 0.10) = 0.049% HN LEU 67 - HB VAL 94 5.000% * 0.0494% (0.51 1.0 0.02 0.02) = 0.049% HN LEU 67 - HB3 LYS+ 72 5.000% * 0.0429% (0.44 1.0 0.02 0.22) = 0.043% HN GLU- 12 - HB VAL 94 5.000% * 0.0386% (0.40 1.0 0.02 0.02) = 0.039% HN GLU- 12 - HB3 LYS+ 72 5.000% * 0.0335% (0.34 1.0 0.02 0.02) = 0.033% HN ALA 33 - HB VAL 94 5.000% * 0.0165% (0.17 1.0 0.02 0.02) = 0.016% HN ALA 33 - HB3 LYS+ 72 5.000% * 0.0143% (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 = 0.449, support = 3.58, residual support = 34.1: O HN LYS+ 72 - HB3 LYS+ 72 16.667% * 98.2589% (0.45 10.0 3.64 34.74) = 98.259% kept HN LYS+ 72 - HB VAL 94 16.667% * 1.5207% (0.55 1.0 0.25 0.02) = 1.521% kept HN LEU 43 - HB VAL 94 16.667% * 0.1123% (0.51 1.0 0.02 0.02) = 0.112% HN LEU 43 - HB3 LYS+ 72 16.667% * 0.0921% (0.42 1.0 0.02 0.02) = 0.092% HN LYS+ 72 - HB2 LYS+ 66 16.667% * 0.0083% (0.04 1.0 0.02 0.02) = 0.008% HN LEU 43 - HB2 LYS+ 66 16.667% * 0.0077% (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 = 0.525, support = 1.48, residual support = 7.1: O HA MET 97 - HG3 MET 97 3.333% * 71.6666% (0.57 10.0 1.37 5.19) = 71.667% kept HA HIS+ 98 - HB VAL 99 3.333% * 10.3300% (0.57 1.0 1.98 11.44) = 10.330% kept HA HIS+ 98 - HG3 MET 97 3.333% * 6.5488% (0.54 1.0 1.31 2.64) = 6.549% kept HA ILE 101 - HG3 GLN 102 3.333% * 4.9234% (0.16 1.0 3.33 27.51) = 4.923% kept HA ILE 101 - HG2 GLN 102 3.333% * 2.3557% (0.18 1.0 1.41 27.51) = 2.356% kept HA ALA 33 - HG3 GLN 102 3.333% * 1.4160% (0.33 1.0 0.47 0.76) = 1.416% kept HA MET 97 - HB VAL 99 3.333% * 1.2906% (0.59 1.0 0.24 0.79) = 1.291% kept HA HIS+ 98 - HG2 GLN 102 3.333% * 0.2279% (0.30 1.0 0.08 0.02) = 0.228% HA HIS+ 98 - HG3 GLN 102 3.333% * 0.2022% (0.26 1.0 0.08 0.02) = 0.202% HA ALA 33 - HB VAL 99 3.333% * 0.1300% (0.71 1.0 0.02 0.02) = 0.130% HA ALA 33 - HG3 MET 97 3.333% * 0.1248% (0.68 1.0 0.02 0.02) = 0.125% HA ALA 33 - HG2 GLN 102 3.333% * 0.0683% (0.37 1.0 0.02 0.76) = 0.068% HA ILE 101 - HB VAL 99 3.333% * 0.0634% (0.34 1.0 0.02 3.72) = 0.063% HA ALA 33 - HG3 GLN 16 3.333% * 0.0621% (0.34 1.0 0.02 4.49) = 0.062% HA ILE 101 - HG3 MET 97 3.333% * 0.0609% (0.33 1.0 0.02 0.02) = 0.061% HA MET 97 - HG2 GLN 102 3.333% * 0.0572% (0.31 1.0 0.02 0.02) = 0.057% HA MET 97 - HG3 GLN 16 3.333% * 0.0520% (0.28 1.0 0.02 0.17) = 0.052% HA MET 97 - HG3 GLN 102 3.333% * 0.0507% (0.28 1.0 0.02 0.02) = 0.051% HA HIS+ 98 - HG3 GLN 16 3.333% * 0.0499% (0.27 1.0 0.02 0.02) = 0.050% HA ALA 33 - HG2 GLN 16 3.333% * 0.0441% (0.24 1.0 0.02 4.49) = 0.044% HA SER 69 - HB VAL 99 3.333% * 0.0402% (0.22 1.0 0.02 0.02) = 0.040% HA SER 69 - HG3 MET 97 3.333% * 0.0386% (0.21 1.0 0.02 0.02) = 0.039% HA MET 97 - HG2 GLN 16 3.333% * 0.0369% (0.20 1.0 0.02 0.17) = 0.037% HA HIS+ 98 - HG2 GLN 16 3.333% * 0.0354% (0.19 1.0 0.02 0.02) = 0.035% HA ILE 101 - HG3 GLN 16 3.333% * 0.0303% (0.16 1.0 0.02 0.02) = 0.030% HA ILE 101 - HG2 GLN 16 3.333% * 0.0215% (0.12 1.0 0.02 0.02) = 0.021% HA SER 69 - HG2 GLN 102 3.333% * 0.0211% (0.11 1.0 0.02 0.33) = 0.021% HA SER 69 - HG3 GLN 16 3.333% * 0.0192% (0.10 1.0 0.02 0.02) = 0.019% HA SER 69 - HG3 GLN 102 3.333% * 0.0187% (0.10 1.0 0.02 0.33) = 0.019% HA SER 69 - HG2 GLN 16 3.333% * 0.0136% (0.07 1.0 0.02 0.02) = 0.014% Peak 1927 (4.79, 2.18, 34.01 ppm): 18 chemical-shift based assignments, quality = 0.496, support = 1.55, residual support = 6.33: HA LEU 23 - HB VAL 99 5.556% * 37.9204% (0.69 1.72 12.21) = 37.920% kept HA ASN 15 - HG2 GLN 16 5.556% * 18.3893% (0.36 1.60 4.41) = 18.389% kept HA ASN 15 - HG3 GLN 16 5.556% * 15.8499% (0.17 2.83 4.41) = 15.850% kept HA LEU 23 - HG2 GLN 102 5.556% * 14.8221% (0.62 0.74 0.92) = 14.822% kept HA LEU 23 - HG2 GLN 16 5.556% * 5.9849% (0.38 0.49 0.92) = 5.985% kept HA ASN 15 - HG2 GLN 102 5.556% * 4.5071% (0.59 0.24 0.02) = 4.507% kept HA LEU 23 - HG3 MET 97 5.556% * 1.1946% (0.16 0.23 0.02) = 1.195% kept HA ASN 15 - HB VAL 99 5.556% * 0.4192% (0.65 0.02 0.02) = 0.419% HB THR 39 - HB VAL 99 5.556% * 0.1782% (0.28 0.02 0.02) = 0.178% HB THR 39 - HG2 GLN 102 5.556% * 0.1615% (0.25 0.02 0.02) = 0.162% HA LEU 23 - HG3 GLN 16 5.556% * 0.1180% (0.18 0.02 0.92) = 0.118% HA ASN 15 - HG3 MET 97 5.556% * 0.0990% (0.15 0.02 0.02) = 0.099% HB THR 39 - HG2 GLN 16 5.556% * 0.0978% (0.15 0.02 0.02) = 0.098% HA LEU 23 - HB3 LYS+ 78 5.556% * 0.0714% (0.11 0.02 0.02) = 0.071% HA ASN 15 - HB3 LYS+ 78 5.556% * 0.0679% (0.11 0.02 0.02) = 0.068% HB THR 39 - HG3 GLN 16 5.556% * 0.0477% (0.07 0.02 0.02) = 0.048% HB THR 39 - HG3 MET 97 5.556% * 0.0421% (0.07 0.02 0.02) = 0.042% HB THR 39 - HB3 LYS+ 78 5.556% * 0.0289% (0.04 0.02 0.16) = 0.029% Peak 1928 (4.58, 1.87, 34.09 ppm): 12 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 33.9: O HA LYS+ 72 - HB3 LYS+ 72 8.333% * 97.6971% (0.67 10.0 4.07 34.74) = 97.697% kept HA LYS+ 78 - HB VAL 94 8.333% * 1.9093% (0.70 1.0 0.38 0.02) = 1.909% kept HA LYS+ 72 - HB VAL 94 8.333% * 0.1170% (0.80 1.0 0.02 0.02) = 0.117% HA LYS+ 78 - HB3 LYS+ 72 8.333% * 0.0846% (0.58 1.0 0.02 0.02) = 0.085% HA ASP- 25 - HB VAL 94 8.333% * 0.0543% (0.37 1.0 0.02 0.02) = 0.054% HA ASP- 25 - HB3 LYS+ 72 8.333% * 0.0454% (0.31 1.0 0.02 0.02) = 0.045% HA LYS+ 55 - HB VAL 94 8.333% * 0.0374% (0.26 1.0 0.02 0.02) = 0.037% HA LYS+ 55 - HB3 LYS+ 72 8.333% * 0.0312% (0.21 1.0 0.02 0.02) = 0.031% HA LYS+ 72 - HB2 LYS+ 66 8.333% * 0.0089% (0.06 1.0 0.02 0.02) = 0.009% HA LYS+ 78 - HB2 LYS+ 66 8.333% * 0.0077% (0.05 1.0 0.02 0.02) = 0.008% HA ASP- 25 - HB2 LYS+ 66 8.333% * 0.0042% (0.03 1.0 0.02 0.02) = 0.004% HA LYS+ 55 - HB2 LYS+ 66 8.333% * 0.0029% (0.02 1.0 0.02 0.02) = 0.003% Peak 1929 (1.86, 1.85, 33.93 ppm): 2 diagonal assignments: HB VAL 94 - HB VAL 94 (0.86) kept HB3 LYS+ 72 - HB3 LYS+ 72 (0.64) kept Peak 1931 (1.69, 2.28, 34.08 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1932 (1.68, 2.22, 34.06 ppm): 35 chemical-shift based assignments, quality = 0.595, support = 1.64, residual support = 5.12: O T HB3 MET 97 - HG3 MET 97 2.857% * 85.9054% (0.63 10.0 10.00 1.79 5.19) = 85.905% kept HG13 ILE 19 - HG3 MET 97 2.857% * 3.4423% (0.93 1.0 1.00 0.55 3.69) = 3.442% kept T HG3 ARG+ 84 - HG3 GLN 16 2.857% * 2.6600% (0.25 1.0 10.00 0.16 0.50) = 2.660% kept HB ILE 100 - HB VAL 99 2.857% * 2.5191% (0.12 1.0 1.00 3.06 20.44) = 2.519% kept T HG3 ARG+ 84 - HG3 MET 97 2.857% * 1.1092% (0.82 1.0 10.00 0.02 0.02) = 1.109% kept HG13 ILE 19 - HG3 GLN 16 2.857% * 0.9993% (0.28 1.0 1.00 0.53 0.47) = 0.999% T HG3 ARG+ 84 - HG3 GLN 102 2.857% * 0.7481% (0.55 1.0 10.00 0.02 0.02) = 0.748% T HB3 LYS+ 66 - HG3 MET 97 2.857% * 0.6464% (0.48 1.0 10.00 0.02 0.02) = 0.646% T HB3 MET 97 - HG3 GLN 102 2.857% * 0.5794% (0.43 1.0 10.00 0.02 0.02) = 0.579% T HB3 LYS+ 66 - HG3 GLN 102 2.857% * 0.4360% (0.32 1.0 10.00 0.02 0.02) = 0.436% HD3 LYS+ 55 - HG3 MET 97 2.857% * 0.1316% (0.97 1.0 1.00 0.02 0.02) = 0.132% HB3 LYS+ 81 - HG3 MET 97 2.857% * 0.1152% (0.85 1.0 1.00 0.02 0.02) = 0.115% HD3 LYS+ 55 - HG3 GLN 102 2.857% * 0.0888% (0.66 1.0 1.00 0.02 0.02) = 0.089% HG13 ILE 19 - HG3 GLN 102 2.857% * 0.0847% (0.63 1.0 1.00 0.02 0.02) = 0.085% HB3 LYS+ 81 - HG3 GLN 102 2.857% * 0.0777% (0.57 1.0 1.00 0.02 0.02) = 0.078% HB ILE 100 - HG3 MET 97 2.857% * 0.0699% (0.52 1.0 1.00 0.02 0.02) = 0.070% HB ILE 100 - HG3 GLN 102 2.857% * 0.0471% (0.35 1.0 1.00 0.02 0.13) = 0.047% HD3 LYS+ 55 - HG3 GLN 16 2.857% * 0.0398% (0.29 1.0 1.00 0.02 0.02) = 0.040% HB3 LYS+ 81 - HG3 GLN 16 2.857% * 0.0348% (0.26 1.0 1.00 0.02 0.02) = 0.035% HD3 LYS+ 55 - HB VAL 99 2.857% * 0.0311% (0.23 1.0 1.00 0.02 0.02) = 0.031% HG13 ILE 19 - HB VAL 99 2.857% * 0.0297% (0.22 1.0 1.00 0.02 0.02) = 0.030% HB3 LYS+ 81 - HB VAL 99 2.857% * 0.0272% (0.20 1.0 1.00 0.02 0.27) = 0.027% HG3 ARG+ 84 - HB VAL 99 2.857% * 0.0262% (0.19 1.0 1.00 0.02 0.02) = 0.026% HB3 MET 97 - HG3 GLN 16 2.857% * 0.0260% (0.19 1.0 1.00 0.02 0.17) = 0.026% HB ILE 100 - HG3 GLN 16 2.857% * 0.0211% (0.16 1.0 1.00 0.02 0.02) = 0.021% HB3 MET 97 - HB VAL 99 2.857% * 0.0203% (0.15 1.0 1.00 0.02 0.79) = 0.020% HB3 LYS+ 66 - HG3 GLN 16 2.857% * 0.0195% (0.14 1.0 1.00 0.02 0.02) = 0.020% HB3 LYS+ 66 - HB VAL 99 2.857% * 0.0153% (0.11 1.0 1.00 0.02 0.02) = 0.015% HD3 LYS+ 55 - HG2 GLN 16 2.857% * 0.0092% (0.07 1.0 1.00 0.02 0.02) = 0.009% HG13 ILE 19 - HG2 GLN 16 2.857% * 0.0087% (0.06 1.0 1.00 0.02 0.47) = 0.009% HB3 LYS+ 81 - HG2 GLN 16 2.857% * 0.0080% (0.06 1.0 1.00 0.02 0.02) = 0.008% HG3 ARG+ 84 - HG2 GLN 16 2.857% * 0.0077% (0.06 1.0 1.00 0.02 0.50) = 0.008% HB3 MET 97 - HG2 GLN 16 2.857% * 0.0060% (0.04 1.0 1.00 0.02 0.17) = 0.006% HB ILE 100 - HG2 GLN 16 2.857% * 0.0049% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB3 LYS+ 66 - HG2 GLN 16 2.857% * 0.0045% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 1933 (0.97, 2.18, 33.97 ppm): 24 chemical-shift based assignments, quality = 0.478, support = 1.78, residual support = 22.0: O T QG2 VAL 99 - HB VAL 99 4.167% * 93.1490% (0.49 10.0 10.00 1.91 23.60) = 93.149% kept T QG2 VAL 99 - HG2 GLN 16 4.167% * 3.5294% (0.37 1.0 10.00 0.10 0.02) = 3.529% kept T QG2 VAL 99 - HG3 GLN 16 4.167% * 1.7201% (0.18 1.0 10.00 0.10 0.02) = 1.720% kept T QG2 VAL 99 - HG2 GLN 102 4.167% * 1.0227% (0.54 1.0 10.00 0.02 0.02) = 1.023% kept T QG2 VAL 99 - HG3 MET 97 4.167% * 0.2199% (0.12 1.0 10.00 0.02 0.79) = 0.220% QG2 ILE 29 - HG2 GLN 102 4.167% * 0.0420% (0.22 1.0 1.00 0.02 0.02) = 0.042% QG2 ILE 29 - HB VAL 99 4.167% * 0.0383% (0.20 1.0 1.00 0.02 0.02) = 0.038% QG2 VAL 73 - HG2 GLN 102 4.167% * 0.0375% (0.20 1.0 1.00 0.02 0.02) = 0.038% QG2 VAL 73 - HB VAL 99 4.167% * 0.0342% (0.18 1.0 1.00 0.02 0.02) = 0.034% QG2 ILE 29 - HG2 GLN 16 4.167% * 0.0285% (0.15 1.0 1.00 0.02 0.02) = 0.029% QG2 VAL 62 - HG2 GLN 102 4.167% * 0.0260% (0.14 1.0 1.00 0.02 0.28) = 0.026% QG2 VAL 73 - HG2 GLN 16 4.167% * 0.0255% (0.13 1.0 1.00 0.02 0.02) = 0.025% QG2 VAL 62 - HB VAL 99 4.167% * 0.0237% (0.12 1.0 1.00 0.02 1.02) = 0.024% QG2 VAL 62 - HG2 GLN 16 4.167% * 0.0177% (0.09 1.0 1.00 0.02 0.02) = 0.018% QG2 ILE 29 - HG3 GLN 16 4.167% * 0.0139% (0.07 1.0 1.00 0.02 0.02) = 0.014% QG2 VAL 99 - HB3 LYS+ 78 4.167% * 0.0137% (0.07 1.0 1.00 0.02 0.02) = 0.014% QG2 VAL 73 - HG3 GLN 16 4.167% * 0.0124% (0.07 1.0 1.00 0.02 0.02) = 0.012% QG2 ILE 29 - HG3 MET 97 4.167% * 0.0090% (0.05 1.0 1.00 0.02 0.02) = 0.009% QG2 VAL 62 - HG3 GLN 16 4.167% * 0.0086% (0.05 1.0 1.00 0.02 0.02) = 0.009% QG2 VAL 73 - HG3 MET 97 4.167% * 0.0081% (0.04 1.0 1.00 0.02 0.02) = 0.008% QG2 ILE 29 - HB3 LYS+ 78 4.167% * 0.0056% (0.03 1.0 1.00 0.02 0.02) = 0.006% QG2 VAL 62 - HG3 MET 97 4.167% * 0.0056% (0.03 1.0 1.00 0.02 0.02) = 0.006% QG2 VAL 73 - HB3 LYS+ 78 4.167% * 0.0050% (0.03 1.0 1.00 0.02 0.02) = 0.005% QG2 VAL 62 - HB3 LYS+ 78 4.167% * 0.0035% (0.02 1.0 1.00 0.02 0.02) = 0.003% Peak 1934 (0.82, 1.85, 33.98 ppm): 16 chemical-shift based assignments, quality = 0.938, support = 3.72, residual support = 44.6: O T QG1 VAL 94 - HB VAL 94 6.250% * 89.6808% (0.96 10.0 10.00 4.08 49.31) = 89.681% kept QD2 LEU 17 - HB VAL 94 6.250% * 4.3544% (0.89 1.0 1.00 1.05 8.81) = 4.354% kept T QG1 VAL 94 - HB3 LYS+ 72 6.250% * 3.6707% (0.83 1.0 10.00 0.09 0.02) = 3.671% kept QD2 LEU 67 - HB3 LYS+ 72 6.250% * 1.6416% (0.47 1.0 1.00 0.75 0.22) = 1.642% kept QD1 ILE 29 - HB VAL 94 6.250% * 0.0804% (0.86 1.0 1.00 0.02 0.02) = 0.080% QG1 VAL 13 - HB VAL 94 6.250% * 0.0804% (0.86 1.0 1.00 0.02 0.02) = 0.080% QD2 LEU 90 - HB VAL 94 6.250% * 0.0749% (0.80 1.0 1.00 0.02 0.02) = 0.075% QD2 LEU 17 - HB3 LYS+ 72 6.250% * 0.0714% (0.76 1.0 1.00 0.02 0.02) = 0.071% QD1 ILE 29 - HB3 LYS+ 72 6.250% * 0.0693% (0.74 1.0 1.00 0.02 0.02) = 0.069% QG1 VAL 13 - HB3 LYS+ 72 6.250% * 0.0693% (0.74 1.0 1.00 0.02 0.02) = 0.069% QD2 LEU 90 - HB3 LYS+ 72 6.250% * 0.0646% (0.69 1.0 1.00 0.02 0.02) = 0.065% QD2 LEU 67 - HB VAL 94 6.250% * 0.0508% (0.54 1.0 1.00 0.02 0.02) = 0.051% QG2 VAL 13 - HB VAL 94 6.250% * 0.0369% (0.39 1.0 1.00 0.02 0.02) = 0.037% QG2 VAL 13 - HB3 LYS+ 72 6.250% * 0.0318% (0.34 1.0 1.00 0.02 0.02) = 0.032% QD1 ILE 100 - HB VAL 94 6.250% * 0.0121% (0.13 1.0 1.00 0.02 0.02) = 0.012% QD1 ILE 100 - HB3 LYS+ 72 6.250% * 0.0105% (0.11 1.0 1.00 0.02 0.02) = 0.010% Peak 1935 (0.69, 1.85, 33.99 ppm): 18 chemical-shift based assignments, quality = 0.87, support = 2.85, residual support = 34.5: O T QG2 VAL 94 - HB VAL 94 5.556% * 69.6112% (0.93 10.0 10.00 3.81 49.31) = 69.611% kept T QG2 THR 96 - HB VAL 94 5.556% * 9.4270% (0.63 1.0 10.00 0.40 0.63) = 9.427% kept T QG2 VAL 94 - HB3 LYS+ 72 5.556% * 3.8536% (0.80 1.0 10.00 0.13 0.02) = 3.854% kept QG2 ILE 68 - HB3 LYS+ 72 5.556% * 3.7924% (0.80 1.0 1.00 1.26 3.00) = 3.792% kept QD1 ILE 19 - HB VAL 94 5.556% * 3.4199% (0.96 1.0 1.00 0.95 0.17) = 3.420% kept HG12 ILE 19 - HB VAL 94 5.556% * 3.1870% (0.90 1.0 1.00 0.94 0.17) = 3.187% kept QG2 ILE 101 - HB3 LYS+ 72 5.556% * 2.6966% (0.78 1.0 1.00 0.91 0.35) = 2.697% kept QG2 ILE 48 - HB3 LYS+ 72 5.556% * 2.1004% (0.84 1.0 1.00 0.67 0.14) = 2.100% kept QG1 VAL 62 - HB3 LYS+ 72 5.556% * 1.1078% (0.38 1.0 1.00 0.78 0.59) = 1.108% kept T QG2 THR 96 - HB3 LYS+ 72 5.556% * 0.4122% (0.55 1.0 10.00 0.02 0.02) = 0.412% QG2 ILE 48 - HB VAL 94 5.556% * 0.0727% (0.97 1.0 1.00 0.02 0.02) = 0.073% QG2 ILE 68 - HB VAL 94 5.556% * 0.0696% (0.93 1.0 1.00 0.02 0.02) = 0.070% QG2 ILE 101 - HB VAL 94 5.556% * 0.0681% (0.91 1.0 1.00 0.02 0.02) = 0.068% QD1 ILE 19 - HB3 LYS+ 72 5.556% * 0.0625% (0.83 1.0 1.00 0.02 0.02) = 0.062% HG12 ILE 19 - HB3 LYS+ 72 5.556% * 0.0588% (0.78 1.0 1.00 0.02 0.02) = 0.059% QG1 VAL 62 - HB VAL 94 5.556% * 0.0330% (0.44 1.0 1.00 0.02 0.02) = 0.033% HG LEU 74 - HB VAL 94 5.556% * 0.0146% (0.19 1.0 1.00 0.02 0.02) = 0.015% HG LEU 74 - HB3 LYS+ 72 5.556% * 0.0126% (0.17 1.0 1.00 0.02 0.02) = 0.013% Peak 1936 (0.58, 2.18, 34.00 ppm): 21 chemical-shift based assignments, quality = 0.787, support = 2.29, residual support = 7.61: T QD1 LEU 23 - HB VAL 99 4.762% * 59.2330% (0.87 10.00 3.27 12.21) = 59.233% kept T QD1 LEU 23 - HG2 GLN 102 4.762% * 28.4943% (0.78 10.00 1.07 0.92) = 28.494% kept T QD1 LEU 23 - HG2 GLN 16 4.762% * 7.8789% (0.50 10.00 0.46 0.92) = 7.879% kept T QD1 LEU 23 - HG3 GLN 16 4.762% * 4.1298% (0.30 10.00 0.41 0.92) = 4.130% kept T QD1 LEU 23 - HG3 MET 97 4.762% * 0.1791% (0.26 10.00 0.02 0.02) = 0.179% QD1 ILE 101 - HB VAL 99 4.762% * 0.0105% (0.15 1.00 0.02 3.72) = 0.010% QG2 ILE 48 - HB VAL 99 4.762% * 0.0098% (0.14 1.00 0.02 0.49) = 0.010% QD1 ILE 101 - HG2 GLN 102 4.762% * 0.0094% (0.14 1.00 0.02 27.51) = 0.009% QD1 LEU 23 - HG3 GLN 102 4.762% * 0.0088% (0.13 1.00 0.02 0.92) = 0.009% QG2 ILE 48 - HG2 GLN 102 4.762% * 0.0088% (0.13 1.00 0.02 0.14) = 0.009% QD1 LEU 23 - HB3 LYS+ 78 4.762% * 0.0072% (0.11 1.00 0.02 0.02) = 0.007% QD1 ILE 101 - HG2 GLN 16 4.762% * 0.0061% (0.09 1.00 0.02 0.02) = 0.006% QG2 ILE 48 - HG2 GLN 16 4.762% * 0.0057% (0.08 1.00 0.02 0.02) = 0.006% QD1 ILE 101 - HG3 GLN 16 4.762% * 0.0036% (0.05 1.00 0.02 0.02) = 0.004% QG2 ILE 48 - HG3 GLN 16 4.762% * 0.0033% (0.05 1.00 0.02 0.02) = 0.003% QD1 ILE 101 - HG3 MET 97 4.762% * 0.0032% (0.05 1.00 0.02 0.02) = 0.003% QG2 ILE 48 - HG3 MET 97 4.762% * 0.0029% (0.04 1.00 0.02 0.02) = 0.003% QD1 ILE 101 - HG3 GLN 102 4.762% * 0.0016% (0.02 1.00 0.02 27.51) = 0.002% QG2 ILE 48 - HG3 GLN 102 4.762% * 0.0015% (0.02 1.00 0.02 0.14) = 0.001% QD1 ILE 101 - HB3 LYS+ 78 4.762% * 0.0013% (0.02 1.00 0.02 0.02) = 0.001% QG2 ILE 48 - HB3 LYS+ 78 4.762% * 0.0012% (0.02 1.00 0.02 0.02) = 0.001% Peak 1937 (8.93, 2.23, 33.85 ppm): 18 chemical-shift based assignments, quality = 0.238, support = 2.86, residual support = 15.3: HN GLN 102 - HG3 GLN 102 5.556% * 30.5214% (0.21 3.93 28.85) = 30.521% kept HN LEU 17 - HG3 GLN 16 5.556% * 24.1895% (0.17 3.82 21.02) = 24.190% kept HN THR 96 - HG3 MET 97 5.556% * 23.4121% (0.31 2.09 4.30) = 23.412% kept HN MET 97 - HG3 MET 97 5.556% * 7.0430% (0.07 2.88 5.19) = 7.043% kept HN MET 97 - HG3 GLN 16 5.556% * 3.1155% (0.10 0.87 0.17) = 3.115% kept HN ARG+ 22 - HG3 GLN 16 5.556% * 2.6276% (0.41 0.18 0.02) = 2.628% kept HN ARG+ 22 - HG3 GLN 102 5.556% * 2.2196% (0.70 0.09 0.02) = 2.220% kept HN THR 96 - HG3 GLN 102 5.556% * 2.1195% (0.77 0.08 0.02) = 2.119% kept HN PHE 21 - HG3 MET 97 5.556% * 1.4610% (0.35 0.12 1.37) = 1.461% kept HN MET 97 - HG3 GLN 102 5.556% * 1.3108% (0.17 0.21 0.02) = 1.311% kept HN PHE 21 - HG3 GLN 102 5.556% * 0.6260% (0.86 0.02 0.02) = 0.626% HN PHE 21 - HG3 GLN 16 5.556% * 0.3676% (0.51 0.02 0.02) = 0.368% HN THR 96 - HG3 GLN 16 5.556% * 0.3282% (0.45 0.02 0.02) = 0.328% HN LEU 17 - HG3 GLN 102 5.556% * 0.2154% (0.30 0.02 0.02) = 0.215% HN ARG+ 22 - HG3 MET 97 5.556% * 0.2031% (0.28 0.02 0.02) = 0.203% HN GLN 102 - HG3 GLN 16 5.556% * 0.0913% (0.13 0.02 0.17) = 0.091% HN LEU 17 - HG3 MET 97 5.556% * 0.0863% (0.12 0.02 0.02) = 0.086% HN GLN 102 - HG3 MET 97 5.556% * 0.0623% (0.09 0.02 0.02) = 0.062% Peak 1938 (7.59, 2.01, 33.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1939 (4.71, 2.24, 33.89 ppm): 21 chemical-shift based assignments, quality = 0.21, support = 3.27, residual support = 19.9: O HA GLN 16 - HG3 GLN 16 4.762% * 96.8713% (0.22 10.0 3.38 20.58) = 96.871% kept HA THR 61 - HG3 GLN 102 4.762% * 0.3472% (0.78 1.0 0.02 0.88) = 0.347% HA VAL 99 - HG3 GLN 102 4.762% * 0.3472% (0.78 1.0 0.02 0.02) = 0.347% HA THR 39 - HG3 GLN 102 4.762% * 0.3234% (0.72 1.0 0.02 0.02) = 0.323% HA GLN 16 - HG3 GLN 102 4.762% * 0.3234% (0.72 1.0 0.02 0.17) = 0.323% HA2 GLY 30 - HG3 GLN 102 4.762% * 0.3039% (0.68 1.0 0.02 0.02) = 0.304% HA LYS+ 20 - HG3 GLN 102 4.762% * 0.1983% (0.44 1.0 0.02 0.02) = 0.198% HA THR 61 - HG3 MET 97 4.762% * 0.1368% (0.31 1.0 0.02 0.02) = 0.137% HA VAL 99 - HG3 MET 97 4.762% * 0.1368% (0.31 1.0 0.02 0.79) = 0.137% HA THR 39 - HG3 MET 97 4.762% * 0.1274% (0.28 1.0 0.02 0.02) = 0.127% HA GLN 16 - HG3 MET 97 4.762% * 0.1274% (0.28 1.0 0.02 0.17) = 0.127% HA2 GLY 30 - HG3 MET 97 4.762% * 0.1197% (0.27 1.0 0.02 0.02) = 0.120% HA THR 61 - HG3 GLN 16 4.762% * 0.1040% (0.23 1.0 0.02 0.02) = 0.104% HA VAL 99 - HG3 GLN 16 4.762% * 0.1040% (0.23 1.0 0.02 0.02) = 0.104% HA THR 39 - HG3 GLN 16 4.762% * 0.0969% (0.22 1.0 0.02 0.02) = 0.097% HA2 GLY 30 - HG3 GLN 16 4.762% * 0.0910% (0.20 1.0 0.02 0.02) = 0.091% HA LYS+ 20 - HG3 MET 97 4.762% * 0.0781% (0.17 1.0 0.02 7.18) = 0.078% HA ASN 89 - HG3 GLN 102 4.762% * 0.0614% (0.14 1.0 0.02 0.02) = 0.061% HA LYS+ 20 - HG3 GLN 16 4.762% * 0.0594% (0.13 1.0 0.02 0.11) = 0.059% HA ASN 89 - HG3 MET 97 4.762% * 0.0242% (0.05 1.0 0.02 0.02) = 0.024% HA ASN 89 - HG3 GLN 16 4.762% * 0.0184% (0.04 1.0 0.02 0.02) = 0.018% Peak 1940 (4.69, 2.11, 33.83 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 (2.20, 2.16, 33.79 ppm): 3 diagonal assignments: HG2 GLN 16 - HG2 GLN 16 (0.32) kept HG2 GLN 102 - HG2 GLN 102 (0.21) kept HB VAL 99 - HB VAL 99 (0.10) kept Peak 1946 (2.21, 2.23, 33.83 ppm): 3 diagonal assignments: HG3 GLN 102 - HG3 GLN 102 (0.57) kept HG3 GLN 16 - HG3 GLN 16 (0.54) kept HG3 MET 97 - HG3 MET 97 (0.30) kept Peak 1949 (1.91, 2.23, 33.79 ppm): 27 chemical-shift based assignments, quality = 0.607, support = 2.79, residual support = 23.1: O T HB3 GLN 102 - HG3 GLN 102 3.704% * 68.2745% (0.79 10.0 10.00 3.12 28.85) = 68.274% kept O HB3 GLN 16 - HG3 GLN 16 3.704% * 15.6879% (0.18 10.0 1.00 3.49 20.58) = 15.688% kept T HG2 GLU- 18 - HG3 GLN 102 3.704% * 12.0930% (0.31 1.0 10.00 0.91 1.09) = 12.093% kept T HD3 LYS+ 63 - HG3 GLN 102 3.704% * 0.7059% (0.82 1.0 10.00 0.02 0.02) = 0.706% T HB3 ARG+ 53 - HG3 GLN 102 3.704% * 0.5407% (0.63 1.0 10.00 0.02 0.02) = 0.541% T HD3 LYS+ 63 - HG3 GLN 16 3.704% * 0.4171% (0.48 1.0 10.00 0.02 0.02) = 0.417% T HB3 GLN 102 - HG3 GLN 16 3.704% * 0.4034% (0.47 1.0 10.00 0.02 0.17) = 0.403% T HB3 ARG+ 53 - HG3 GLN 16 3.704% * 0.3194% (0.37 1.0 10.00 0.02 0.02) = 0.319% T HB2 GLU- 10 - HG3 GLN 102 3.704% * 0.2413% (0.28 1.0 10.00 0.02 0.02) = 0.241% T HD3 LYS+ 63 - HG3 MET 97 3.704% * 0.1914% (0.22 1.0 10.00 0.02 0.02) = 0.191% T HB3 GLN 102 - HG3 MET 97 3.704% * 0.1852% (0.22 1.0 10.00 0.02 0.02) = 0.185% T HG2 GLU- 18 - HG3 GLN 16 3.704% * 0.1569% (0.18 1.0 10.00 0.02 1.38) = 0.157% T HB3 ARG+ 53 - HG3 MET 97 3.704% * 0.1466% (0.17 1.0 10.00 0.02 0.02) = 0.147% T HB2 GLU- 10 - HG3 GLN 16 3.704% * 0.1426% (0.17 1.0 10.00 0.02 0.02) = 0.143% T HG2 GLU- 18 - HG3 MET 97 3.704% * 0.0720% (0.08 1.0 10.00 0.02 0.02) = 0.072% T HB2 GLU- 10 - HG3 MET 97 3.704% * 0.0654% (0.08 1.0 10.00 0.02 0.02) = 0.065% HB3 GLU- 56 - HG3 GLN 102 3.704% * 0.0634% (0.74 1.0 1.00 0.02 0.02) = 0.063% HB2 LEU 23 - HG3 GLN 102 3.704% * 0.0614% (0.71 1.0 1.00 0.02 0.92) = 0.061% HB ILE 29 - HG3 GLN 102 3.704% * 0.0486% (0.56 1.0 1.00 0.02 0.02) = 0.049% HB3 GLU- 56 - HG3 GLN 16 3.704% * 0.0375% (0.44 1.0 1.00 0.02 0.02) = 0.037% HB2 LEU 23 - HG3 GLN 16 3.704% * 0.0363% (0.42 1.0 1.00 0.02 0.92) = 0.036% HB ILE 29 - HG3 GLN 16 3.704% * 0.0287% (0.33 1.0 1.00 0.02 0.02) = 0.029% HB3 GLN 16 - HG3 GLN 102 3.704% * 0.0266% (0.31 1.0 1.00 0.02 0.17) = 0.027% HB3 GLU- 56 - HG3 MET 97 3.704% * 0.0172% (0.20 1.0 1.00 0.02 0.02) = 0.017% HB2 LEU 23 - HG3 MET 97 3.704% * 0.0166% (0.19 1.0 1.00 0.02 0.02) = 0.017% HB ILE 29 - HG3 MET 97 3.704% * 0.0132% (0.15 1.0 1.00 0.02 0.02) = 0.013% HB3 GLN 16 - HG3 MET 97 3.704% * 0.0072% (0.08 1.0 1.00 0.02 0.17) = 0.007% 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: Peak unassigned. Peak 1954 (3.70, 1.67, 33.37 ppm): 4 chemical-shift based assignments, quality = 0.743, support = 4.06, residual support = 47.6: O HA LYS+ 81 - HB3 LYS+ 81 25.000% * 97.0878% (0.75 10.0 4.16 49.00) = 97.088% kept HB3 SER 69 - HB3 LYS+ 81 25.000% * 2.7414% (0.61 1.0 0.69 0.80) = 2.741% kept HB2 TRP 51 - HB3 LYS+ 81 25.000% * 0.0988% (0.76 1.0 0.02 0.02) = 0.099% HD2 PRO 52 - HB3 LYS+ 81 25.000% * 0.0719% (0.55 1.0 0.02 0.02) = 0.072% Peak 1958 (8.35, 1.80, 33.11 ppm): 5 chemical-shift based assignments, quality = 0.72, support = 2.42, residual support = 12.8: O HN LYS+ 108 - HB3 LYS+ 108 20.000% * 99.7232% (0.72 10.0 2.43 12.87) = 99.723% kept HN ALA 103 - HB3 LYS+ 108 20.000% * 0.1183% (0.86 1.0 0.02 0.02) = 0.118% HN GLU- 50 - HB3 LYS+ 108 20.000% * 0.0772% (0.56 1.0 0.02 0.02) = 0.077% HN GLY 71 - HB3 LYS+ 108 20.000% * 0.0628% (0.45 1.0 0.02 0.02) = 0.063% HN ASN 76 - HB3 LYS+ 108 20.000% * 0.0184% (0.13 1.0 0.02 0.02) = 0.018% 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 = 0.392, support = 1.24, residual support = 1.33: HN THR 106 - HB3 LYS+ 81 16.667% * 71.3195% (0.35 1.66 1.85) = 71.319% kept HN GLN 16 - HB3 LYS+ 81 16.667% * 16.5034% (0.59 0.23 0.02) = 16.503% kept HN ASN 89 - HB3 LYS+ 81 16.667% * 7.2703% (0.61 0.10 0.02) = 7.270% kept HN GLU- 12 - HB3 LYS+ 81 16.667% * 3.6943% (0.10 0.29 0.02) = 3.694% kept HN ASP- 28 - HB3 LYS+ 81 16.667% * 0.9260% (0.37 0.02 0.02) = 0.926% HN ALA 91 - HB3 LYS+ 81 16.667% * 0.2864% (0.12 0.02 0.12) = 0.286% Peak 1961 (8.24, 2.03, 33.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1963 (4.26, 1.79, 33.17 ppm): 20 chemical-shift based assignments, quality = 0.39, support = 1.82, residual support = 11.7: O HA LYS+ 108 - HB3 LYS+ 108 5.000% * 77.9538% (0.29 10.0 1.93 12.87) = 77.954% kept HA GLU- 107 - HB3 LYS+ 108 5.000% * 19.1290% (0.85 1.0 1.63 8.47) = 19.129% kept HA GLU- 75 - HB3 LYS+ 108 5.000% * 0.2607% (0.94 1.0 0.02 0.02) = 0.261% HA GLU- 64 - HB3 LYS+ 108 5.000% * 0.2590% (0.94 1.0 0.02 0.02) = 0.259% HA GLU- 56 - HB3 LYS+ 108 5.000% * 0.2412% (0.87 1.0 0.02 0.02) = 0.241% HA ASN 76 - HB3 LYS+ 108 5.000% * 0.2267% (0.82 1.0 0.02 0.02) = 0.227% HA VAL 65 - HB3 LYS+ 108 5.000% * 0.2092% (0.76 1.0 0.02 0.02) = 0.209% HA ALA 11 - HB3 LYS+ 108 5.000% * 0.2092% (0.76 1.0 0.02 0.02) = 0.209% HA ARG+ 84 - HB3 LYS+ 108 5.000% * 0.1898% (0.69 1.0 0.02 0.02) = 0.190% HA PRO 52 - HB3 LYS+ 108 5.000% * 0.1898% (0.69 1.0 0.02 0.02) = 0.190% HA SER 85 - HB3 LYS+ 108 5.000% * 0.1898% (0.69 1.0 0.02 0.02) = 0.190% HD3 PRO 59 - HB3 LYS+ 108 5.000% * 0.1898% (0.69 1.0 0.02 0.02) = 0.190% HA VAL 94 - HB3 LYS+ 108 5.000% * 0.1795% (0.65 1.0 0.02 0.02) = 0.180% HA PRO 59 - HB3 LYS+ 108 5.000% * 0.1479% (0.54 1.0 0.02 0.02) = 0.148% HA LEU 90 - HB3 LYS+ 108 5.000% * 0.1074% (0.39 1.0 0.02 0.02) = 0.107% HA GLU- 54 - HB3 LYS+ 108 5.000% * 0.0807% (0.29 1.0 0.02 0.02) = 0.081% HA GLU- 10 - HB3 LYS+ 108 5.000% * 0.0807% (0.29 1.0 0.02 0.02) = 0.081% HB3 SER 49 - HB3 LYS+ 108 5.000% * 0.0644% (0.23 1.0 0.02 0.02) = 0.064% HA THR 106 - HB3 LYS+ 108 5.000% * 0.0458% (0.17 1.0 0.02 0.02) = 0.046% HA ALA 42 - HB3 LYS+ 108 5.000% * 0.0458% (0.17 1.0 0.02 0.02) = 0.046% Peak 1965 (4.12, 2.03, 33.02 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1972 (2.10, 2.09, 32.97 ppm): 3 diagonal assignments: HB VAL 87 - HB VAL 87 (0.21) kept HB3 PRO 35 - HB3 PRO 35 (0.08) kept HB VAL 105 - HB VAL 105 (0.05) kept Peak 1974 (2.04, 2.03, 33.01 ppm): 13 chemical-shift based assignments, quality = 0.0267, support = 1.48, residual support = 7.97: T HB3 GLU- 107 - HB2 LYS+ 108 7.692% * 94.0608% (0.03 10.00 1.57 8.47) = 94.061% kept T HB3 GLU- 75 - HB2 LYS+ 108 7.692% * 2.1818% (0.05 10.00 0.02 0.02) = 2.182% kept T HB3 GLU- 10 - HB2 LYS+ 108 7.692% * 2.1263% (0.05 10.00 0.02 0.02) = 2.126% kept HG3 PRO 86 - HB2 LYS+ 108 7.692% * 0.3436% (0.08 1.00 0.02 0.02) = 0.344% HB2 GLU- 45 - HB2 LYS+ 108 7.692% * 0.2807% (0.06 1.00 0.02 0.02) = 0.281% HB3 GLU- 45 - HB2 LYS+ 108 7.692% * 0.2679% (0.06 1.00 0.02 0.02) = 0.268% HB3 GLU- 54 - HB2 LYS+ 108 7.692% * 0.2546% (0.06 1.00 0.02 0.02) = 0.255% HB3 PRO 31 - HB2 LYS+ 108 7.692% * 0.1844% (0.04 1.00 0.02 0.02) = 0.184% HG3 GLU- 64 - HB2 LYS+ 108 7.692% * 0.0947% (0.02 1.00 0.02 0.02) = 0.095% HB2 GLU- 18 - HB2 LYS+ 108 7.692% * 0.0541% (0.01 1.00 0.02 0.02) = 0.054% HB VAL 62 - HB2 LYS+ 108 7.692% * 0.0541% (0.01 1.00 0.02 0.02) = 0.054% HB3 PRO 35 - HB2 LYS+ 108 7.692% * 0.0489% (0.01 1.00 0.02 0.02) = 0.049% HA1 GLY 58 - HB2 LYS+ 108 7.692% * 0.0481% (0.01 1.00 0.02 0.02) = 0.048% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1997 (0.92, 2.03, 32.99 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1998 (8.07, 1.97, 32.89 ppm): 4 chemical-shift based assignments, quality = 0.332, support = 1.8, residual support = 5.92: HN ASN 15 - HB VAL 13 25.000% * 83.6398% (0.38 1.91 6.77) = 83.640% kept HN ASN 15 - HB2 LYS+ 108 25.000% * 13.5986% (0.09 1.35 1.87) = 13.599% kept HN ASN 15 - HB2 GLU- 75 25.000% * 2.4003% (0.03 0.64 0.17) = 2.400% kept HN ASN 15 - HB3 LYS+ 55 25.000% * 0.3612% (0.16 0.02 0.02) = 0.361% Peak 1999 (4.67, 2.58, 32.91 ppm): 4 chemical-shift based assignments, quality = 0.132, support = 0.72, residual support = 0.42: HA TYR 83 - HB3 PRO 35 25.000% * 64.8308% (0.13 0.86 0.56) = 64.831% kept HA ASN 89 - HB3 PRO 35 25.000% * 34.6242% (0.13 0.47 0.16) = 34.624% kept HA GLN 16 - HB3 PRO 35 25.000% * 0.3389% (0.03 0.02 0.02) = 0.339% HA VAL 99 - HB3 PRO 35 25.000% * 0.2060% (0.02 0.02 0.02) = 0.206% Not enough quality. Peak unassigned. Peak 2000 (4.53, 1.79, 32.73 ppm): 5 chemical-shift based assignments, quality = 0.3, support = 0.151, residual support = 0.335: HA LYS+ 55 - HB3 LYS+ 63 20.000% * 57.1622% (0.17 0.25 0.57) = 57.162% kept HA ALA 103 - HB3 LYS+ 63 20.000% * 17.7247% (0.64 0.02 0.02) = 17.725% kept HB THR 46 - HB3 LYS+ 63 20.000% * 11.8812% (0.43 0.02 0.02) = 11.881% kept HA LEU 17 - HB3 LYS+ 63 20.000% * 10.3981% (0.37 0.02 0.02) = 10.398% kept HB THR 79 - HB3 LYS+ 63 20.000% * 2.8338% (0.10 0.02 0.02) = 2.834% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2001 (4.00, 1.96, 32.85 ppm): 16 chemical-shift based assignments, quality = 0.485, support = 2.22, residual support = 11.2: O T HA VAL 13 - HB VAL 13 6.250% * 95.4759% (0.48 10.0 10.00 2.31 11.76) = 95.476% kept HA THR 38 - HB VAL 13 6.250% * 3.2792% (0.69 1.0 1.00 0.48 0.02) = 3.279% kept T HA VAL 13 - HB3 LYS+ 55 6.250% * 0.5898% (0.30 1.0 10.00 0.02 0.02) = 0.590% HB THR 95 - HB VAL 13 6.250% * 0.1378% (0.70 1.0 1.00 0.02 0.02) = 0.138% T HA VAL 13 - HB2 LYS+ 108 6.250% * 0.1361% (0.07 1.0 10.00 0.02 0.02) = 0.136% HB THR 95 - HB3 LYS+ 55 6.250% * 0.0851% (0.43 1.0 1.00 0.02 0.02) = 0.085% HA THR 38 - HB3 LYS+ 55 6.250% * 0.0842% (0.43 1.0 1.00 0.02 0.02) = 0.084% HA1 GLY 92 - HB VAL 13 6.250% * 0.0677% (0.34 1.0 1.00 0.02 0.02) = 0.068% HA1 GLY 92 - HB3 LYS+ 55 6.250% * 0.0418% (0.21 1.0 1.00 0.02 0.02) = 0.042% HB THR 95 - HB2 LYS+ 108 6.250% * 0.0196% (0.10 1.0 1.00 0.02 0.02) = 0.020% HA THR 38 - HB2 LYS+ 108 6.250% * 0.0194% (0.10 1.0 1.00 0.02 0.02) = 0.019% HB THR 95 - HB2 GLU- 75 6.250% * 0.0169% (0.09 1.0 1.00 0.02 0.21) = 0.017% HA THR 38 - HB2 GLU- 75 6.250% * 0.0168% (0.08 1.0 1.00 0.02 0.02) = 0.017% HA VAL 13 - HB2 GLU- 75 6.250% * 0.0117% (0.06 1.0 1.00 0.02 0.02) = 0.012% HA1 GLY 92 - HB2 LYS+ 108 6.250% * 0.0096% (0.05 1.0 1.00 0.02 0.02) = 0.010% HA1 GLY 92 - HB2 GLU- 75 6.250% * 0.0083% (0.04 1.0 1.00 0.02 0.02) = 0.008% Peak 2018 (1.75, 2.03, 32.81 ppm): 5 chemical-shift based assignments, quality = 0.057, support = 1.33, residual support = 1.65: HB ILE 48 - HB3 GLU- 75 20.000% * 71.5644% (0.06 1.00 1.76 1.96) = 71.564% kept HB3 LEU 23 - HB3 GLU- 75 20.000% * 17.3822% (0.07 1.00 0.35 1.32) = 17.382% kept T HB3 GLU- 18 - HB3 GLU- 75 20.000% * 5.6345% (0.04 10.00 0.02 0.02) = 5.634% kept HG3 ARG+ 53 - HB3 GLU- 75 20.000% * 4.1732% (0.02 1.00 0.30 0.42) = 4.173% kept HB2 LEU 17 - HB3 GLU- 75 20.000% * 1.2456% (0.09 1.00 0.02 0.02) = 1.246% kept Not enough quality. Peak unassigned. Peak 2019 (1.61, 2.12, 32.96 ppm): 21 chemical-shift based assignments, quality = 0.31, support = 0.181, residual support = 0.0189: T HG LEU 43 - HB3 PRO 35 4.762% * 45.1473% (0.24 10.00 0.20 0.02) = 45.147% kept HD3 LYS+ 32 - HB3 PRO 35 4.762% * 11.7311% (0.30 1.00 0.43 0.02) = 11.731% kept T HG LEU 43 - HB VAL 87 4.762% * 10.0160% (0.55 10.00 0.02 0.02) = 10.016% kept T HG LEU 43 - HB VAL 105 4.762% * 8.1592% (0.45 10.00 0.02 0.02) = 8.159% kept HB3 LYS+ 32 - HB3 PRO 35 4.762% * 5.7279% (0.12 1.00 0.54 0.02) = 5.728% kept T HG12 ILE 101 - HB3 PRO 35 4.762% * 4.1752% (0.23 10.00 0.02 0.02) = 4.175% kept HG12 ILE 101 - HB VAL 87 4.762% * 3.9213% (0.51 1.00 0.08 0.02) = 3.921% kept HG3 LYS+ 78 - HB VAL 87 4.762% * 1.3886% (0.76 1.00 0.02 0.02) = 1.389% kept HD3 LYS+ 32 - HB VAL 87 4.762% * 1.2398% (0.68 1.00 0.02 0.02) = 1.240% kept HG3 LYS+ 78 - HB VAL 105 4.762% * 1.1311% (0.62 1.00 0.02 0.02) = 1.131% kept HD3 LYS+ 32 - HB VAL 105 4.762% * 1.0099% (0.55 1.00 0.02 0.02) = 1.010% kept HB ILE 68 - HB VAL 87 4.762% * 1.0016% (0.55 1.00 0.02 0.02) = 1.002% kept HB ILE 68 - HB VAL 105 4.762% * 0.8159% (0.45 1.00 0.02 2.25) = 0.816% HG LEU 23 - HB VAL 87 4.762% * 0.8146% (0.45 1.00 0.02 0.02) = 0.815% HG12 ILE 101 - HB VAL 105 4.762% * 0.7650% (0.42 1.00 0.02 0.02) = 0.765% HG LEU 23 - HB VAL 105 4.762% * 0.6636% (0.36 1.00 0.02 0.11) = 0.664% HG3 LYS+ 78 - HB3 PRO 35 4.762% * 0.6173% (0.34 1.00 0.02 0.02) = 0.617% HB3 LYS+ 32 - HB VAL 87 4.762% * 0.4779% (0.26 1.00 0.02 0.02) = 0.478% HB ILE 68 - HB3 PRO 35 4.762% * 0.4453% (0.24 1.00 0.02 0.02) = 0.445% HB3 LYS+ 32 - HB VAL 105 4.762% * 0.3893% (0.21 1.00 0.02 0.02) = 0.389% HG LEU 23 - HB3 PRO 35 4.762% * 0.3622% (0.20 1.00 0.02 0.02) = 0.362% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2020 (1.53, 2.03, 32.90 ppm): 8 chemical-shift based assignments, quality = 0.025, support = 0.812, residual support = 1.14: QG2 THR 24 - HB3 GLU- 75 12.500% * 45.8050% (0.03 1.08 0.63) = 45.805% kept HG13 ILE 29 - HB3 GLU- 75 12.500% * 21.4338% (0.02 0.66 1.70) = 21.434% kept HB3 LEU 90 - HB3 GLU- 75 12.500% * 14.5936% (0.02 0.62 1.95) = 14.594% kept HG12 ILE 29 - HB3 GLU- 75 12.500% * 11.8508% (0.01 0.63 1.70) = 11.851% kept QB ALA 42 - HB3 GLU- 75 12.500% * 4.8631% (0.01 0.26 0.02) = 4.863% kept HG3 LYS+ 72 - HB3 GLU- 75 12.500% * 0.6477% (0.02 0.02 0.02) = 0.648% HB2 LYS+ 72 - HB3 GLU- 75 12.500% * 0.4735% (0.02 0.02 0.02) = 0.473% HD3 LYS+ 108 - HB3 GLU- 75 12.500% * 0.3325% (0.01 0.02 0.02) = 0.333% Not enough quality. Peak unassigned. Peak 2021 (1.45, 1.80, 32.89 ppm): 27 chemical-shift based assignments, quality = 0.0949, support = 1.38, residual support = 3.34: O T HG2 PRO 59 - HB2 PRO 59 3.704% * 66.1658% (0.08 10.0 10.00 1.27 3.27) = 66.166% kept HG3 LYS+ 60 - HB3 LYS+ 63 3.704% * 11.2136% (0.22 1.0 1.00 1.16 0.53) = 11.214% kept HG3 LYS+ 60 - HB2 PRO 59 3.704% * 10.2758% (0.08 1.0 1.00 3.11 10.43) = 10.276% kept HG3 LYS+ 55 - HB3 LYS+ 63 3.704% * 6.5458% (0.14 1.0 1.00 1.04 0.57) = 6.546% kept HD3 LYS+ 44 - HB3 LYS+ 63 3.704% * 2.0085% (0.06 1.0 1.00 0.72 0.38) = 2.008% kept QG2 THR 38 - HB3 LYS+ 108 3.704% * 1.6988% (0.10 1.0 1.00 0.39 0.02) = 1.699% kept HG LEU 90 - HB3 LYS+ 63 3.704% * 0.1936% (0.22 1.0 1.00 0.02 0.02) = 0.194% HG2 PRO 59 - HB3 LYS+ 63 3.704% * 0.1936% (0.22 1.0 1.00 0.02 0.02) = 0.194% HG2 PRO 59 - HB3 LYS+ 108 3.704% * 0.1858% (0.21 1.0 1.00 0.02 0.02) = 0.186% HG3 LYS+ 60 - HB3 LYS+ 108 3.704% * 0.1858% (0.21 1.0 1.00 0.02 0.02) = 0.186% HG LEU 90 - HB3 LYS+ 108 3.704% * 0.1858% (0.21 1.0 1.00 0.02 0.02) = 0.186% HG13 ILE 48 - HB3 LYS+ 63 3.704% * 0.1533% (0.17 1.0 1.00 0.02 0.02) = 0.153% HG13 ILE 48 - HB3 LYS+ 108 3.704% * 0.1471% (0.17 1.0 1.00 0.02 0.02) = 0.147% HG3 LYS+ 55 - HB3 LYS+ 108 3.704% * 0.1213% (0.14 1.0 1.00 0.02 0.02) = 0.121% QG2 THR 38 - HB3 LYS+ 63 3.704% * 0.0918% (0.10 1.0 1.00 0.02 0.02) = 0.092% HB3 LEU 67 - HB3 LYS+ 63 3.704% * 0.0838% (0.10 1.0 1.00 0.02 0.02) = 0.084% HB3 LEU 67 - HB3 LYS+ 108 3.704% * 0.0804% (0.09 1.0 1.00 0.02 0.02) = 0.080% QB ALA 91 - HB3 LYS+ 63 3.704% * 0.0761% (0.09 1.0 1.00 0.02 0.02) = 0.076% QB ALA 91 - HB3 LYS+ 108 3.704% * 0.0731% (0.08 1.0 1.00 0.02 0.02) = 0.073% HG LEU 90 - HB2 PRO 59 3.704% * 0.0662% (0.08 1.0 1.00 0.02 0.02) = 0.066% HD3 LYS+ 44 - HB3 LYS+ 108 3.704% * 0.0534% (0.06 1.0 1.00 0.02 0.02) = 0.053% HG13 ILE 48 - HB2 PRO 59 3.704% * 0.0524% (0.06 1.0 1.00 0.02 0.02) = 0.052% HG3 LYS+ 55 - HB2 PRO 59 3.704% * 0.0432% (0.05 1.0 1.00 0.02 0.02) = 0.043% QG2 THR 38 - HB2 PRO 59 3.704% * 0.0314% (0.04 1.0 1.00 0.02 0.02) = 0.031% HB3 LEU 67 - HB2 PRO 59 3.704% * 0.0286% (0.03 1.0 1.00 0.02 0.02) = 0.029% QB ALA 91 - HB2 PRO 59 3.704% * 0.0260% (0.03 1.0 1.00 0.02 0.02) = 0.026% HD3 LYS+ 44 - HB2 PRO 59 3.704% * 0.0190% (0.02 1.0 1.00 0.02 0.02) = 0.019% Not enough quality. Peak unassigned. Peak 2022 (1.43, 2.03, 32.92 ppm): 10 chemical-shift based assignments, quality = 0.0334, support = 1.2, residual support = 0.959: HG3 LYS+ 60 - HB3 GLU- 75 10.000% * 35.7838% (0.03 1.81 0.97) = 35.784% kept HD3 LYS+ 44 - HB3 GLU- 75 10.000% * 26.2950% (0.05 0.80 0.58) = 26.295% kept HG13 ILE 48 - HB3 GLU- 75 10.000% * 13.4303% (0.02 1.12 1.96) = 13.430% kept HG LEU 67 - HB3 GLU- 75 10.000% * 11.2248% (0.01 1.52 1.73) = 11.225% kept HG2 PRO 59 - HB3 GLU- 75 10.000% * 6.0122% (0.03 0.30 0.02) = 6.012% kept QG2 THR 38 - HB3 GLU- 75 10.000% * 4.3663% (0.07 0.10 0.02) = 4.366% kept HG LEU 90 - HB3 GLU- 75 10.000% * 0.9262% (0.07 0.02 1.95) = 0.926% HG3 LYS+ 55 - HB3 GLU- 75 10.000% * 0.9262% (0.07 0.02 0.02) = 0.926% QB ALA 91 - HB3 GLU- 75 10.000% * 0.7685% (0.06 0.02 0.02) = 0.768% QB ALA 37 - HB3 GLU- 75 10.000% * 0.2668% (0.02 0.02 0.02) = 0.267% Not enough quality. Peak unassigned. Peak 2023 (1.25, 2.11, 32.95 ppm): 9 chemical-shift based assignments, quality = 0.104, support = 0.678, residual support = 0.505: HB3 LEU 74 - HB3 PRO 35 11.111% * 49.9845% (0.06 1.17 0.99) = 49.984% kept HG2 LYS+ 32 - HB3 PRO 35 11.111% * 24.5463% (0.10 0.33 0.02) = 24.546% kept HG12 ILE 100 - HB3 PRO 35 11.111% * 8.0589% (0.12 0.10 0.02) = 8.059% kept HG12 ILE 100 - HB VAL 87 11.111% * 4.3853% (0.31 0.02 0.02) = 4.385% kept HG2 LYS+ 32 - HB VAL 87 11.111% * 3.9680% (0.28 0.02 0.02) = 3.968% kept HG12 ILE 100 - HB VAL 105 11.111% * 2.8142% (0.20 0.02 0.02) = 2.814% kept HG2 LYS+ 32 - HB VAL 105 11.111% * 2.5464% (0.18 0.02 0.02) = 2.546% kept HB3 LEU 74 - HB VAL 87 11.111% * 2.2515% (0.16 0.02 0.02) = 2.251% kept HB3 LEU 74 - HB VAL 105 11.111% * 1.4449% (0.10 0.02 0.02) = 1.445% kept Not enough quality. Peak unassigned. Peak 2026 (0.84, 1.97, 32.87 ppm): 32 chemical-shift based assignments, quality = 0.572, support = 1.63, residual support = 11.5: O QG2 VAL 13 - HB VAL 13 3.125% * 68.7777% (0.62 10.0 1.00 1.93 11.76) = 68.778% kept O QG1 VAL 13 - HB VAL 13 3.125% * 29.0663% (0.50 10.0 1.00 1.00 11.76) = 29.066% kept T QG1 VAL 94 - HB2 LYS+ 108 3.125% * 1.6606% (0.09 1.0 10.00 0.33 0.02) = 1.661% kept QD1 ILE 29 - HB VAL 13 3.125% * 0.0581% (0.50 1.0 1.00 0.02 0.02) = 0.058% T QD1 ILE 29 - HB2 GLU- 75 3.125% * 0.0486% (0.04 1.0 10.00 0.02 1.70) = 0.049% T QG1 VAL 13 - HB2 GLU- 75 3.125% * 0.0486% (0.04 1.0 10.00 0.02 0.02) = 0.049% QG1 VAL 94 - HB VAL 13 3.125% * 0.0382% (0.33 1.0 1.00 0.02 0.02) = 0.038% QG2 VAL 13 - HB3 LYS+ 55 3.125% * 0.0310% (0.27 1.0 1.00 0.02 0.02) = 0.031% QG1 VAL 13 - HB3 LYS+ 55 3.125% * 0.0254% (0.22 1.0 1.00 0.02 0.02) = 0.025% QD1 ILE 29 - HB3 LYS+ 55 3.125% * 0.0254% (0.22 1.0 1.00 0.02 0.02) = 0.025% QD1 LEU 90 - HB VAL 13 3.125% * 0.0224% (0.19 1.0 1.00 0.02 0.02) = 0.022% QD2 LEU 17 - HB VAL 13 3.125% * 0.0224% (0.19 1.0 1.00 0.02 0.02) = 0.022% QG2 ILE 100 - HB VAL 13 3.125% * 0.0202% (0.18 1.0 1.00 0.02 0.25) = 0.020% QG2 VAL 13 - HB2 LYS+ 108 3.125% * 0.0188% (0.16 1.0 1.00 0.02 0.02) = 0.019% QG1 VAL 94 - HB3 LYS+ 55 3.125% * 0.0167% (0.14 1.0 1.00 0.02 0.02) = 0.017% QD2 LEU 90 - HB VAL 13 3.125% * 0.0162% (0.14 1.0 1.00 0.02 0.02) = 0.016% QG1 VAL 13 - HB2 LYS+ 108 3.125% * 0.0153% (0.13 1.0 1.00 0.02 0.02) = 0.015% QD1 ILE 29 - HB2 LYS+ 108 3.125% * 0.0153% (0.13 1.0 1.00 0.02 0.02) = 0.015% QD2 LEU 17 - HB3 LYS+ 55 3.125% * 0.0098% (0.08 1.0 1.00 0.02 0.02) = 0.010% QD1 LEU 90 - HB3 LYS+ 55 3.125% * 0.0098% (0.08 1.0 1.00 0.02 0.02) = 0.010% QG2 ILE 100 - HB3 LYS+ 55 3.125% * 0.0088% (0.08 1.0 1.00 0.02 0.02) = 0.009% QD2 LEU 90 - HB3 LYS+ 55 3.125% * 0.0071% (0.06 1.0 1.00 0.02 0.02) = 0.007% QG2 VAL 13 - HB2 GLU- 75 3.125% * 0.0060% (0.05 1.0 1.00 0.02 0.02) = 0.006% QD1 LEU 90 - HB2 LYS+ 108 3.125% * 0.0059% (0.05 1.0 1.00 0.02 0.02) = 0.006% QD2 LEU 17 - HB2 LYS+ 108 3.125% * 0.0059% (0.05 1.0 1.00 0.02 0.02) = 0.006% QG2 ILE 100 - HB2 LYS+ 108 3.125% * 0.0053% (0.05 1.0 1.00 0.02 0.02) = 0.005% QD2 LEU 90 - HB2 LYS+ 108 3.125% * 0.0043% (0.04 1.0 1.00 0.02 0.02) = 0.004% QG1 VAL 94 - HB2 GLU- 75 3.125% * 0.0032% (0.03 1.0 1.00 0.02 0.51) = 0.003% QD1 LEU 90 - HB2 GLU- 75 3.125% * 0.0019% (0.02 1.0 1.00 0.02 1.95) = 0.002% QD2 LEU 17 - HB2 GLU- 75 3.125% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% QG2 ILE 100 - HB2 GLU- 75 3.125% * 0.0017% (0.01 1.0 1.00 0.02 0.02) = 0.002% QD2 LEU 90 - HB2 GLU- 75 3.125% * 0.0014% (0.01 1.0 1.00 0.02 1.95) = 0.001% Peak 2028 (7.81, 2.13, 32.54 ppm): 15 chemical-shift based assignments, quality = 0.075, support = 2.56, residual support = 16.6: O HN VAL 87 - HB VAL 87 6.667% * 80.5310% (0.07 10.0 3.03 20.58) = 80.531% kept HN LYS+ 55 - HB VAL 87 6.667% * 3.8002% (0.17 1.0 0.36 0.02) = 3.800% kept HN VAL 87 - HB3 GLU- 75 6.667% * 3.7015% (0.10 1.0 0.62 0.02) = 3.701% kept HN LYS+ 55 - HB3 PRO 35 6.667% * 3.3860% (0.08 1.0 0.66 0.15) = 3.386% kept HN ALA 93 - HB3 GLU- 75 6.667% * 3.1806% (0.24 1.0 0.22 0.02) = 3.181% kept HN THR 46 - HB3 PRO 35 6.667% * 3.0553% (0.03 1.0 1.73 1.16) = 3.055% kept HN LYS+ 63 - HB3 PRO 35 6.667% * 1.3009% (0.03 1.0 0.61 0.02) = 1.301% kept HN LYS+ 55 - HB3 GLU- 75 6.667% * 0.3178% (0.26 1.0 0.02 0.02) = 0.318% HN ALA 93 - HB VAL 87 6.667% * 0.1924% (0.16 1.0 0.02 0.02) = 0.192% HN LYS+ 63 - HB3 GLU- 75 6.667% * 0.1318% (0.11 1.0 0.02 0.02) = 0.132% HN THR 46 - HB3 GLU- 75 6.667% * 0.1094% (0.09 1.0 0.02 0.02) = 0.109% HN ALA 93 - HB3 PRO 35 6.667% * 0.0928% (0.08 1.0 0.02 0.02) = 0.093% HN LYS+ 63 - HB VAL 87 6.667% * 0.0882% (0.07 1.0 0.02 0.02) = 0.088% HN THR 46 - HB VAL 87 6.667% * 0.0732% (0.06 1.0 0.02 0.02) = 0.073% HN VAL 87 - HB3 PRO 35 6.667% * 0.0388% (0.03 1.0 0.02 0.02) = 0.039% Peak 2029 (7.82, 1.95, 32.67 ppm): 12 chemical-shift based assignments, quality = 0.832, support = 2.98, residual support = 9.01: O HN LYS+ 55 - HB3 LYS+ 55 8.333% * 93.4976% (0.84 10.0 3.08 9.60) = 93.498% kept HN LYS+ 63 - HB3 LYS+ 55 8.333% * 6.3103% (0.72 1.0 1.58 0.57) = 6.310% kept HN ALA 93 - HB3 LYS+ 55 8.333% * 0.0590% (0.53 1.0 0.02 0.02) = 0.059% HN LYS+ 55 - HB VAL 13 8.333% * 0.0248% (0.22 1.0 0.02 0.02) = 0.025% HN LYS+ 63 - HB VAL 13 8.333% * 0.0212% (0.19 1.0 0.02 0.02) = 0.021% HN LYS+ 55 - HB2 GLU- 75 8.333% * 0.0203% (0.18 1.0 0.02 0.02) = 0.020% HN LYS+ 63 - HB2 GLU- 75 8.333% * 0.0173% (0.16 1.0 0.02 0.02) = 0.017% HN ALA 93 - HB VAL 13 8.333% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% HN VAL 87 - HB3 LYS+ 55 8.333% * 0.0141% (0.13 1.0 0.02 0.02) = 0.014% HN ALA 93 - HB2 GLU- 75 8.333% * 0.0128% (0.12 1.0 0.02 0.02) = 0.013% HN VAL 87 - HB VAL 13 8.333% * 0.0037% (0.03 1.0 0.02 0.02) = 0.004% HN VAL 87 - HB2 GLU- 75 8.333% * 0.0031% (0.03 1.0 0.02 0.02) = 0.003% Peak 2030 (7.84, 1.79, 32.50 ppm): 3 chemical-shift based assignments, quality = 0.737, support = 2.95, residual support = 16.6: O HN LYS+ 63 - HB3 LYS+ 63 33.333% * 99.9554% (0.74 10.0 2.96 16.65) = 99.955% kept HN LYS+ 55 - HB3 LYS+ 63 33.333% * 0.0237% (0.17 1.0 0.02 0.57) = 0.024% HN THR 38 - HB3 LYS+ 63 33.333% * 0.0210% (0.15 1.0 0.02 0.02) = 0.021% Peak 2031 (4.16, 2.13, 32.58 ppm): 21 chemical-shift based assignments, quality = 0.186, support = 0.977, residual support = 10.6: O T HA VAL 87 - HB VAL 87 4.762% * 50.3659% (0.20 10.0 10.00 1.31 20.58) = 50.366% kept T HB3 SER 49 - HB3 GLU- 75 4.762% * 18.6205% (0.23 1.0 10.00 0.62 0.27) = 18.620% kept T HA VAL 73 - HB3 GLU- 75 4.762% * 15.9468% (0.14 1.0 10.00 0.92 0.02) = 15.947% kept T HA VAL 87 - HB3 GLU- 75 4.762% * 10.3723% (0.19 1.0 10.00 0.42 0.02) = 10.372% kept HB2 SER 88 - HB VAL 87 4.762% * 1.2090% (0.10 1.0 1.00 0.94 12.66) = 1.209% kept T HA VAL 105 - HB VAL 87 4.762% * 0.6290% (0.25 1.0 10.00 0.02 0.02) = 0.629% T HB3 SER 49 - HB VAL 87 4.762% * 0.6137% (0.24 1.0 10.00 0.02 0.02) = 0.614% T HA VAL 105 - HB3 GLU- 75 4.762% * 0.6113% (0.24 1.0 10.00 0.02 0.02) = 0.611% T HA VAL 73 - HB VAL 87 4.762% * 0.3561% (0.14 1.0 10.00 0.02 0.02) = 0.356% T HA VAL 105 - HB3 PRO 35 4.762% * 0.3134% (0.12 1.0 10.00 0.02 0.02) = 0.313% T HB3 SER 49 - HB3 PRO 35 4.762% * 0.3058% (0.12 1.0 10.00 0.02 0.02) = 0.306% T HA VAL 87 - HB3 PRO 35 4.762% * 0.2510% (0.10 1.0 10.00 0.02 0.02) = 0.251% T HA VAL 73 - HB3 PRO 35 4.762% * 0.1774% (0.07 1.0 10.00 0.02 0.14) = 0.177% HB THR 106 - HB VAL 87 4.762% * 0.0629% (0.25 1.0 1.00 0.02 0.02) = 0.063% HB THR 106 - HB3 GLU- 75 4.762% * 0.0611% (0.24 1.0 1.00 0.02 0.02) = 0.061% HB THR 106 - HB3 PRO 35 4.762% * 0.0313% (0.12 1.0 1.00 0.02 0.02) = 0.031% HB2 SER 88 - HB3 GLU- 75 4.762% * 0.0251% (0.10 1.0 1.00 0.02 0.02) = 0.025% HA2 GLY 71 - HB VAL 87 4.762% * 0.0140% (0.06 1.0 1.00 0.02 0.02) = 0.014% HA2 GLY 71 - HB3 GLU- 75 4.762% * 0.0136% (0.05 1.0 1.00 0.02 0.02) = 0.014% HB2 SER 88 - HB3 PRO 35 4.762% * 0.0129% (0.05 1.0 1.00 0.02 0.02) = 0.013% HA2 GLY 71 - HB3 PRO 35 4.762% * 0.0070% (0.03 1.0 1.00 0.02 0.02) = 0.007% Peak 2032 (4.09, 1.79, 32.47 ppm): 6 chemical-shift based assignments, quality = 0.692, support = 1.99, residual support = 15.9: O T HA LYS+ 63 - HB3 LYS+ 63 16.667% * 95.2176% (0.70 10.0 10.00 2.06 16.65) = 95.218% kept HB3 SER 49 - HB3 LYS+ 63 16.667% * 3.6343% (0.61 1.0 1.00 0.87 0.02) = 3.634% kept HA THR 46 - HB3 LYS+ 63 16.667% * 0.9177% (0.36 1.0 1.00 0.38 0.02) = 0.918% HA THR 24 - HB3 LYS+ 63 16.667% * 0.1186% (0.88 1.0 1.00 0.02 0.02) = 0.119% HA ALA 70 - HB3 LYS+ 63 16.667% * 0.0909% (0.67 1.0 1.00 0.02 0.02) = 0.091% HB2 SER 49 - HB3 LYS+ 63 16.667% * 0.0208% (0.15 1.0 1.00 0.02 0.02) = 0.021% Peak 2033 (3.62, 1.89, 32.34 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2034 (2.52, 2.11, 32.58 ppm): 1 diagonal assignment: HB3 PRO 35 - HB3 PRO 35 (0.03) kept Peak 2035 (2.51, 2.01, 32.43 ppm): 6 chemical-shift based assignments, quality = 0.0955, support = 0.898, residual support = 0.942: HA1 GLY 58 - HB3 GLU- 75 16.667% * 48.5381% (0.12 1.16 0.59) = 48.538% kept HB3 PRO 35 - HB3 GLU- 75 16.667% * 16.4834% (0.04 1.14 2.60) = 16.483% kept HB3 PRO 59 - HB3 GLU- 75 16.667% * 13.6601% (0.13 0.30 0.02) = 13.660% kept HG3 PRO 35 - HB3 GLU- 75 16.667% * 8.3094% (0.05 0.53 2.60) = 8.309% kept HB VAL 40 - HB3 GLU- 75 16.667% * 7.7176% (0.03 0.68 0.02) = 7.718% kept HB2 ASP- 36 - HB3 GLU- 75 16.667% * 5.2915% (0.09 0.17 0.13) = 5.291% kept Not enough quality. Peak unassigned. Peak 2039 (2.29, 2.29, 32.33 ppm): 3 diagonal assignments: HB2 PRO 86 - HB2 PRO 86 (0.66) kept HB3 PRO 86 - HB3 PRO 86 (0.14) kept HB VAL 80 - HB VAL 80 (0.05) kept Peak 2041 (2.28, 1.89, 32.29 ppm): 10 chemical-shift based assignments, quality = 0.0733, support = 0.405, residual support = 0.127: T HA1 GLY 58 - HB2 PRO 104 10.000% * 91.2491% (0.07 10.00 0.44 0.14) = 91.249% kept HB3 PRO 35 - HB2 PRO 104 10.000% * 3.2894% (0.15 1.00 0.08 0.02) = 3.289% kept HG2 GLU- 64 - HB2 PRO 104 10.000% * 1.4605% (0.06 1.00 0.09 0.02) = 1.460% kept HB2 LYS+ 44 - HB2 PRO 104 10.000% * 0.7641% (0.14 1.00 0.02 0.02) = 0.764% HG3 GLU- 75 - HB2 PRO 104 10.000% * 0.7390% (0.13 1.00 0.02 0.02) = 0.739% HG3 GLU- 64 - HB2 PRO 104 10.000% * 0.6994% (0.03 1.00 0.10 0.02) = 0.699% HB VAL 80 - HB2 PRO 104 10.000% * 0.6822% (0.12 1.00 0.02 0.02) = 0.682% HB2 PRO 86 - HB2 PRO 104 10.000% * 0.4147% (0.07 1.00 0.02 0.02) = 0.415% HG3 GLU- 54 - HB2 PRO 104 10.000% * 0.3820% (0.07 1.00 0.02 0.02) = 0.382% HG3 GLU- 107 - HB2 PRO 104 10.000% * 0.3198% (0.06 1.00 0.02 0.02) = 0.320% Not enough quality. Peak unassigned. Peak 2044 (2.08, 2.49, 32.54 ppm): 1 diagonal assignment: HB3 PRO 35 - HB3 PRO 35 (0.02) kept Peak 2048 (1.97, 2.29, 32.33 ppm): 21 chemical-shift based assignments, quality = 0.236, support = 0.669, residual support = 1.34: T HB2 GLU- 75 - HB2 PRO 86 4.762% * 37.9352% (0.16 10.00 0.75 1.98) = 37.935% kept T HB2 GLU- 75 - HB3 PRO 86 4.762% * 29.2914% (0.10 10.00 0.95 1.98) = 29.291% kept HB VAL 13 - HB2 PRO 86 4.762% * 7.0102% (0.54 1.00 0.40 0.02) = 7.010% kept HB VAL 73 - HB2 PRO 86 4.762% * 5.7319% (0.69 1.00 0.26 0.02) = 5.732% kept HG3 PRO 104 - HB2 PRO 86 4.762% * 5.1576% (0.67 1.00 0.24 0.02) = 5.158% kept HB VAL 13 - HB3 PRO 86 4.762% * 3.9207% (0.33 1.00 0.37 0.02) = 3.921% kept HB VAL 73 - HB3 PRO 86 4.762% * 3.2839% (0.42 1.00 0.24 0.02) = 3.284% kept HB3 LYS+ 55 - HB3 PRO 86 4.762% * 2.9137% (0.16 1.00 0.56 0.02) = 2.914% kept HB VAL 73 - HB VAL 80 4.762% * 2.6002% (0.17 1.00 0.48 0.02) = 2.600% kept HB3 LYS+ 55 - HB2 PRO 86 4.762% * 0.6592% (0.27 1.00 0.08 0.02) = 0.659% HG3 PRO 104 - HB3 PRO 86 4.762% * 0.2620% (0.41 1.00 0.02 0.02) = 0.262% T HB2 GLU- 75 - HB VAL 80 4.762% * 0.2467% (0.04 10.00 0.02 0.02) = 0.247% HB2 LYS+ 108 - HB2 PRO 86 4.762% * 0.2212% (0.34 1.00 0.02 0.02) = 0.221% HG3 PRO 31 - HB2 PRO 86 4.762% * 0.1868% (0.29 1.00 0.02 0.02) = 0.187% HB2 LYS+ 108 - HB3 PRO 86 4.762% * 0.1348% (0.21 1.00 0.02 0.02) = 0.135% HG3 PRO 31 - HB3 PRO 86 4.762% * 0.1139% (0.18 1.00 0.02 0.02) = 0.114% HG3 PRO 104 - HB VAL 80 4.762% * 0.1048% (0.16 1.00 0.02 0.02) = 0.105% HB VAL 13 - HB VAL 80 4.762% * 0.0847% (0.13 1.00 0.02 0.02) = 0.085% HB2 LYS+ 108 - HB VAL 80 4.762% * 0.0539% (0.08 1.00 0.02 0.02) = 0.054% HG3 PRO 31 - HB VAL 80 4.762% * 0.0456% (0.07 1.00 0.02 0.02) = 0.046% HB3 LYS+ 55 - HB VAL 80 4.762% * 0.0416% (0.06 1.00 0.02 0.02) = 0.042% Peak 2049 (1.96, 1.95, 32.51 ppm): 2 diagonal assignments: HB3 LYS+ 55 - HB3 LYS+ 55 (0.52) kept HB2 GLU- 75 - HB2 GLU- 75 (0.16) kept 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): 18 chemical-shift based assignments, quality = 0.759, support = 0.829, residual support = 0.481: T HG3 LYS+ 63 - HB3 LYS+ 55 5.556% * 63.1302% (0.78 10.00 1.05 0.57) = 63.130% kept T HG2 PRO 31 - HB3 LYS+ 55 5.556% * 26.2930% (0.80 10.00 0.43 0.35) = 26.293% kept HG3 ARG+ 53 - HB3 LYS+ 55 5.556% * 4.0994% (0.69 1.00 0.77 0.36) = 4.099% kept HB3 LYS+ 63 - HB3 LYS+ 55 5.556% * 2.3083% (0.76 1.00 0.39 0.57) = 2.308% kept HB3 GLU- 18 - HB3 LYS+ 55 5.556% * 2.0780% (0.47 1.00 0.58 0.10) = 2.078% kept HG3 ARG+ 53 - HB2 GLU- 75 5.556% * 0.5862% (0.26 1.00 0.30 0.42) = 0.586% T HG2 PRO 31 - HB2 GLU- 75 5.556% * 0.4541% (0.30 10.00 0.02 0.02) = 0.454% T HG3 LYS+ 63 - HB2 GLU- 75 5.556% * 0.4451% (0.29 10.00 0.02 0.02) = 0.445% HB3 ARG+ 84 - HB3 LYS+ 55 5.556% * 0.2780% (0.47 1.00 0.08 0.02) = 0.278% HB3 LYS+ 108 - HB3 LYS+ 55 5.556% * 0.1173% (0.76 1.00 0.02 0.02) = 0.117% HB3 LYS+ 63 - HB2 GLU- 75 5.556% * 0.0434% (0.28 1.00 0.02 0.02) = 0.043% HB3 LYS+ 108 - HB2 GLU- 75 5.556% * 0.0434% (0.28 1.00 0.02 0.02) = 0.043% HD3 LYS+ 72 - HB3 LYS+ 55 5.556% * 0.0317% (0.21 1.00 0.02 0.02) = 0.032% HB3 ARG+ 84 - HB2 GLU- 75 5.556% * 0.0266% (0.17 1.00 0.02 0.02) = 0.027% HB3 GLU- 18 - HB2 GLU- 75 5.556% * 0.0266% (0.17 1.00 0.02 0.02) = 0.027% HG3 LYS+ 108 - HB3 LYS+ 55 5.556% * 0.0196% (0.13 1.00 0.02 0.02) = 0.020% HD3 LYS+ 72 - HB2 GLU- 75 5.556% * 0.0117% (0.08 1.00 0.02 0.02) = 0.012% HG3 LYS+ 108 - HB2 GLU- 75 5.556% * 0.0073% (0.05 1.00 0.02 0.02) = 0.007% Peak 2055 (1.56, 1.96, 32.49 ppm): 18 chemical-shift based assignments, quality = 0.287, support = 0.611, residual support = 1.23: HB3 LEU 90 - HB2 GLU- 75 5.556% * 22.0927% (0.26 0.90 1.95) = 22.093% kept HG12 ILE 29 - HB2 GLU- 75 5.556% * 20.9053% (0.26 0.84 1.70) = 20.905% kept HG13 ILE 29 - HB2 GLU- 75 5.556% * 20.4778% (0.25 0.87 1.70) = 20.478% kept HB ILE 19 - HB3 LYS+ 55 5.556% * 8.4429% (0.43 0.21 0.02) = 8.443% kept HB3 LEU 90 - HB3 LYS+ 55 5.556% * 5.8466% (0.59 0.10 0.02) = 5.847% kept HD3 LYS+ 60 - HB2 GLU- 75 5.556% * 5.6652% (0.22 0.27 0.97) = 5.665% kept QG2 THR 24 - HB2 GLU- 75 5.556% * 5.3018% (0.23 0.25 0.63) = 5.302% kept HB ILE 19 - HB2 GLU- 75 5.556% * 2.8066% (0.19 0.16 0.02) = 2.807% kept QB ALA 42 - HB3 LYS+ 55 5.556% * 1.1317% (0.59 0.02 0.02) = 1.132% kept HG12 ILE 29 - HB3 LYS+ 55 5.556% * 1.1317% (0.59 0.02 0.02) = 1.132% kept HG13 ILE 29 - HB3 LYS+ 55 5.556% * 1.0705% (0.56 0.02 0.02) = 1.071% kept HD3 LYS+ 81 - HB3 LYS+ 55 5.556% * 1.0149% (0.53 0.02 0.02) = 1.015% kept QG2 THR 24 - HB3 LYS+ 55 5.556% * 0.9817% (0.52 0.02 0.02) = 0.982% HD3 LYS+ 60 - HB3 LYS+ 55 5.556% * 0.9453% (0.50 0.02 0.02) = 0.945% HG LEU 17 - HB3 LYS+ 55 5.556% * 0.8649% (0.45 0.02 0.02) = 0.865% QB ALA 42 - HB2 GLU- 75 5.556% * 0.4962% (0.26 0.02 0.02) = 0.496% HD3 LYS+ 81 - HB2 GLU- 75 5.556% * 0.4450% (0.23 0.02 0.02) = 0.445% HG LEU 17 - HB2 GLU- 75 5.556% * 0.3792% (0.20 0.02 0.02) = 0.379% 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, 1.95, 32.55 ppm): 18 chemical-shift based assignments, quality = 0.728, support = 0.965, residual support = 9.14: O HG3 LYS+ 55 - HB3 LYS+ 55 5.556% * 95.1792% (0.73 10.0 1.00 9.60) = 95.179% kept HG LEU 90 - HB3 LYS+ 55 5.556% * 3.6788% (0.82 1.0 0.35 0.02) = 3.679% kept QG2 THR 38 - HB3 LYS+ 55 5.556% * 0.1622% (0.62 1.0 0.02 0.02) = 0.162% QB ALA 91 - HB3 LYS+ 55 5.556% * 0.1458% (0.56 1.0 0.02 0.02) = 0.146% HD3 LYS+ 44 - HB3 LYS+ 55 5.556% * 0.1202% (0.46 1.0 0.02 0.02) = 0.120% HG3 LYS+ 60 - HB3 LYS+ 55 5.556% * 0.1117% (0.43 1.0 0.02 0.02) = 0.112% HG2 PRO 59 - HB3 LYS+ 55 5.556% * 0.1117% (0.43 1.0 0.02 0.02) = 0.112% HG13 ILE 48 - HB3 LYS+ 55 5.556% * 0.0724% (0.28 1.0 0.02 0.02) = 0.072% HG LEU 90 - HB2 GLU- 75 5.556% * 0.0682% (0.26 1.0 0.02 1.95) = 0.068% HG3 LYS+ 55 - HB2 GLU- 75 5.556% * 0.0613% (0.24 1.0 0.02 0.02) = 0.061% QG2 THR 38 - HB2 GLU- 75 5.556% * 0.0522% (0.20 1.0 0.02 0.02) = 0.052% QB ALA 91 - HB2 GLU- 75 5.556% * 0.0469% (0.18 1.0 0.02 0.02) = 0.047% QB ALA 37 - HB3 LYS+ 55 5.556% * 0.0420% (0.16 1.0 0.02 0.02) = 0.042% HD3 LYS+ 44 - HB2 GLU- 75 5.556% * 0.0387% (0.15 1.0 0.02 0.58) = 0.039% HG2 PRO 59 - HB2 GLU- 75 5.556% * 0.0360% (0.14 1.0 0.02 0.02) = 0.036% HG3 LYS+ 60 - HB2 GLU- 75 5.556% * 0.0360% (0.14 1.0 0.02 0.97) = 0.036% HG13 ILE 48 - HB2 GLU- 75 5.556% * 0.0233% (0.09 1.0 0.02 1.96) = 0.023% QB ALA 37 - HB2 GLU- 75 5.556% * 0.0135% (0.05 1.0 0.02 0.02) = 0.014% Peak 2058 (1.37, 1.95, 32.55 ppm): 18 chemical-shift based assignments, quality = 0.592, support = 0.221, residual support = 0.039: HB3 LYS+ 20 - HB3 LYS+ 55 5.556% * 50.2830% (0.81 0.30 0.02) = 50.283% kept HB3 LYS+ 20 - HB2 GLU- 75 5.556% * 13.7559% (0.27 0.25 0.02) = 13.756% kept HG13 ILE 68 - HB2 GLU- 75 5.556% * 8.3977% (0.14 0.28 0.14) = 8.398% kept QB ALA 11 - HB3 LYS+ 55 5.556% * 3.3255% (0.81 0.02 0.02) = 3.326% kept HB3 LEU 17 - HB3 LYS+ 55 5.556% * 2.9891% (0.73 0.02 0.02) = 2.989% kept HG2 LYS+ 78 - HB3 LYS+ 55 5.556% * 2.9891% (0.73 0.02 0.02) = 2.989% kept HG3 ARG+ 22 - HB3 LYS+ 55 5.556% * 2.6688% (0.65 0.02 0.02) = 2.669% kept HG3 LYS+ 81 - HB3 LYS+ 55 5.556% * 2.6688% (0.65 0.02 0.02) = 2.669% kept QG2 THR 39 - HB3 LYS+ 55 5.556% * 2.4202% (0.59 0.02 0.02) = 2.420% kept HD3 LYS+ 20 - HB2 GLU- 75 5.556% * 2.4149% (0.05 0.25 0.02) = 2.415% kept HG13 ILE 68 - HB3 LYS+ 55 5.556% * 1.7535% (0.43 0.02 0.55) = 1.754% kept QB ALA 11 - HB2 GLU- 75 5.556% * 1.1207% (0.27 0.02 0.02) = 1.121% kept HB3 LEU 17 - HB2 GLU- 75 5.556% * 1.0073% (0.25 0.02 0.02) = 1.007% kept HG2 LYS+ 78 - HB2 GLU- 75 5.556% * 1.0073% (0.25 0.02 0.02) = 1.007% kept HG3 LYS+ 81 - HB2 GLU- 75 5.556% * 0.8994% (0.22 0.02 0.02) = 0.899% HG3 ARG+ 22 - HB2 GLU- 75 5.556% * 0.8994% (0.22 0.02 0.02) = 0.899% QG2 THR 39 - HB2 GLU- 75 5.556% * 0.8156% (0.20 0.02 0.14) = 0.816% HD3 LYS+ 20 - HB3 LYS+ 55 5.556% * 0.5837% (0.14 0.02 0.02) = 0.584% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2059 (1.15, 1.90, 32.60 ppm): 6 chemical-shift based assignments, quality = 0.0156, support = 1.25, residual support = 3.35: HB2 LEU 74 - HB2 GLU- 75 16.667% * 66.7914% (0.01 1.78 5.01) = 66.791% kept HB2 LEU 43 - HB2 GLU- 75 16.667% * 24.2376% (0.03 0.24 0.02) = 24.238% kept QB ALA 33 - HB2 GLU- 75 16.667% * 3.1177% (0.04 0.02 0.02) = 3.118% kept HG3 PRO 59 - HB2 GLU- 75 16.667% * 2.8210% (0.04 0.02 0.02) = 2.821% kept QG2 THR 106 - HB2 GLU- 75 16.667% * 1.6439% (0.02 0.02 0.02) = 1.644% kept HG3 LYS+ 32 - HB2 GLU- 75 16.667% * 1.3885% (0.02 0.02 0.02) = 1.388% kept Not enough quality. Peak unassigned. Peak 2060 (0.92, 2.13, 32.57 ppm): 39 chemical-shift based assignments, quality = 0.0986, support = 2.03, residual support = 11.9: O QG2 VAL 87 - HB VAL 87 2.564% * 57.0918% (0.07 10.0 2.78 20.58) = 57.092% kept HG12 ILE 68 - HB3 GLU- 75 2.564% * 15.3714% (0.24 1.0 1.49 0.14) = 15.371% kept QD1 LEU 67 - HB3 GLU- 75 2.564% * 7.7789% (0.10 1.0 1.80 1.73) = 7.779% kept QG1 VAL 47 - HB3 GLU- 75 2.564% * 3.6494% (0.08 1.0 1.02 0.21) = 3.649% kept QG2 VAL 80 - HB3 GLU- 75 2.564% * 2.5086% (0.25 1.0 0.24 0.02) = 2.509% kept QG2 VAL 62 - HB3 GLU- 75 2.564% * 1.8234% (0.09 1.0 0.46 0.12) = 1.823% kept HG12 ILE 68 - HB3 PRO 35 2.564% * 1.5586% (0.11 1.0 0.33 0.02) = 1.559% kept QG1 VAL 47 - HB VAL 87 2.564% * 1.1682% (0.08 1.0 0.33 0.02) = 1.168% kept QG2 VAL 87 - HB3 GLU- 75 2.564% * 1.1418% (0.07 1.0 0.39 0.02) = 1.142% kept QG2 VAL 40 - HB3 GLU- 75 2.564% * 1.0574% (0.07 1.0 0.36 0.02) = 1.057% kept QG2 VAL 73 - HB3 GLU- 75 2.564% * 0.9784% (0.07 1.0 0.33 0.02) = 0.978% QG2 VAL 80 - HB3 PRO 35 2.564% * 0.9750% (0.11 1.0 0.20 0.02) = 0.975% QD1 LEU 67 - HB3 PRO 35 2.564% * 0.8951% (0.05 1.0 0.45 0.02) = 0.895% HB2 ARG+ 84 - HB3 GLU- 75 2.564% * 0.6939% (0.21 1.0 0.08 0.02) = 0.694% QD1 LEU 67 - HB VAL 87 2.564% * 0.3391% (0.10 1.0 0.08 0.02) = 0.339% QG2 VAL 62 - HB3 PRO 35 2.564% * 0.2743% (0.04 1.0 0.15 0.02) = 0.274% QG2 VAL 73 - HB3 PRO 35 2.564% * 0.2658% (0.03 1.0 0.20 0.14) = 0.266% QG2 VAL 40 - HB VAL 87 2.564% * 0.2487% (0.07 1.0 0.09 0.02) = 0.249% QG2 VAL 80 - HB VAL 87 2.564% * 0.2035% (0.24 1.0 0.02 0.02) = 0.204% HG12 ILE 68 - HB VAL 87 2.564% * 0.2013% (0.24 1.0 0.02 0.02) = 0.201% HB2 ARG+ 84 - HB VAL 87 2.564% * 0.1715% (0.20 1.0 0.02 0.02) = 0.172% QG2 VAL 105 - HB3 GLU- 75 2.564% * 0.1687% (0.20 1.0 0.02 0.02) = 0.169% QG2 VAL 105 - HB VAL 87 2.564% * 0.1644% (0.19 1.0 0.02 0.02) = 0.164% QD1 LEU 17 - HB3 GLU- 75 2.564% * 0.1610% (0.19 1.0 0.02 0.02) = 0.161% QD1 LEU 17 - HB VAL 87 2.564% * 0.1569% (0.18 1.0 0.02 0.02) = 0.157% QG1 VAL 105 - HB3 GLU- 75 2.564% * 0.1530% (0.18 1.0 0.02 0.02) = 0.153% QG1 VAL 105 - HB VAL 87 2.564% * 0.1491% (0.18 1.0 0.02 0.02) = 0.149% HB2 ARG+ 84 - HB3 PRO 35 2.564% * 0.0807% (0.09 1.0 0.02 0.02) = 0.081% QG2 VAL 105 - HB3 PRO 35 2.564% * 0.0773% (0.09 1.0 0.02 0.02) = 0.077% QG2 VAL 62 - HB VAL 87 2.564% * 0.0771% (0.09 1.0 0.02 0.02) = 0.077% QD1 LEU 17 - HB3 PRO 35 2.564% * 0.0738% (0.09 1.0 0.02 0.02) = 0.074% QG1 VAL 105 - HB3 PRO 35 2.564% * 0.0701% (0.08 1.0 0.02 0.02) = 0.070% QG2 VAL 73 - HB VAL 87 2.564% * 0.0571% (0.07 1.0 0.02 0.02) = 0.057% QG2 ILE 29 - HB3 GLU- 75 2.564% * 0.0525% (0.06 1.0 0.02 1.70) = 0.053% QG2 ILE 29 - HB VAL 87 2.564% * 0.0512% (0.06 1.0 0.02 0.02) = 0.051% QG1 VAL 47 - HB3 PRO 35 2.564% * 0.0329% (0.04 1.0 0.02 0.02) = 0.033% QG2 VAL 87 - HB3 PRO 35 2.564% * 0.0269% (0.03 1.0 0.02 0.02) = 0.027% QG2 VAL 40 - HB3 PRO 35 2.564% * 0.0269% (0.03 1.0 0.02 0.02) = 0.027% QG2 ILE 29 - HB3 PRO 35 2.564% * 0.0241% (0.03 1.0 0.02 0.02) = 0.024% 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): 8 chemical-shift based assignments, quality = 0.18, support = 2.56, residual support = 21.0: O HN VAL 62 - HB VAL 62 12.500% * 79.3574% (0.14 10.0 3.07 26.40) = 79.357% kept HN THR 95 - HB3 GLU- 75 12.500% * 7.0427% (0.38 1.0 0.67 0.21) = 7.043% kept HN VAL 62 - HB3 GLU- 75 12.500% * 6.4983% (0.31 1.0 0.76 0.12) = 6.498% kept HN SER 69 - HB3 GLU- 75 12.500% * 4.2317% (0.29 1.0 0.53 0.37) = 4.232% kept HN PHE 34 - HB3 GLU- 75 12.500% * 1.8579% (0.40 1.0 0.17 0.02) = 1.858% kept HN PHE 34 - HB VAL 62 12.500% * 0.8394% (0.19 1.0 0.16 0.02) = 0.839% HN THR 95 - HB VAL 62 12.500% * 0.0982% (0.18 1.0 0.02 0.02) = 0.098% HN SER 69 - HB VAL 62 12.500% * 0.0744% (0.13 1.0 0.02 0.02) = 0.074% Peak 2063 (8.60, 2.27, 32.03 ppm): 8 chemical-shift based assignments, quality = 0.65, support = 3.73, residual support = 23.8: O HN VAL 80 - HB VAL 80 12.500% * 90.7405% (0.64 10.0 4.02 26.28) = 90.740% kept HN LYS+ 20 - HB VAL 80 12.500% * 5.1144% (0.97 1.0 0.74 0.02) = 5.114% kept HN VAL 73 - HB VAL 80 12.500% * 3.9372% (0.48 1.0 1.15 0.02) = 3.937% kept HN THR 39 - HB VAL 80 12.500% * 0.0964% (0.68 1.0 0.02 1.02) = 0.096% HN LYS+ 20 - HB2 PRO 86 12.500% * 0.0391% (0.28 1.0 0.02 0.02) = 0.039% HN THR 39 - HB2 PRO 86 12.500% * 0.0274% (0.19 1.0 0.02 0.02) = 0.027% HN VAL 80 - HB2 PRO 86 12.500% * 0.0258% (0.18 1.0 0.02 0.02) = 0.026% HN VAL 73 - HB2 PRO 86 12.500% * 0.0194% (0.14 1.0 0.02 0.02) = 0.019% Peak 2064 (4.47, 1.97, 32.15 ppm): 10 chemical-shift based assignments, quality = 0.153, support = 0.527, residual support = 0.503: HA LYS+ 32 - HB VAL 73 10.000% * 77.2195% (0.14 0.68 0.61) = 77.220% kept HA GLN 102 - HB2 GLU- 75 10.000% * 3.8912% (0.25 0.02 0.66) = 3.891% kept HA ILE 100 - HB2 GLU- 75 10.000% * 3.8912% (0.25 0.02 0.02) = 3.891% kept HA LYS+ 32 - HB2 GLU- 75 10.000% * 3.2575% (0.21 0.02 0.02) = 3.257% kept HA ILE 100 - HB VAL 73 10.000% * 2.7273% (0.17 0.02 0.02) = 2.727% kept HA GLN 102 - HB VAL 73 10.000% * 2.7273% (0.17 0.02 0.02) = 2.727% kept HA GLU- 50 - HB2 GLU- 75 10.000% * 2.3654% (0.15 0.02 0.02) = 2.365% kept HA GLU- 50 - HB VAL 73 10.000% * 1.6579% (0.11 0.02 0.02) = 1.658% kept HA SER 77 - HB2 GLU- 75 10.000% * 1.3303% (0.08 0.02 0.02) = 1.330% kept HA SER 77 - HB VAL 73 10.000% * 0.9324% (0.06 0.02 0.02) = 0.932% Not enough quality. Peak unassigned. Peak 2065 (4.46, 2.32, 32.18 ppm): 10 chemical-shift based assignments, quality = 0.738, support = 0.7, residual support = 0.513: HA GLU- 50 - HB3 PRO 86 10.000% * 35.3425% (0.98 0.94 0.70) = 35.343% kept HA ILE 100 - HB3 PRO 86 10.000% * 15.6095% (0.72 0.57 0.34) = 15.609% kept HA GLN 102 - HB3 PRO 86 10.000% * 15.6095% (0.72 0.57 0.34) = 15.609% kept HA GLU- 50 - HB2 PRO 86 10.000% * 13.9669% (0.60 0.61 0.70) = 13.967% kept HA ILE 100 - HB2 PRO 86 10.000% * 9.3760% (0.44 0.56 0.34) = 9.376% kept HA GLN 102 - HB2 PRO 86 10.000% * 9.3760% (0.44 0.56 0.34) = 9.376% kept HA LYS+ 32 - HB3 PRO 86 10.000% * 0.2583% (0.34 0.02 0.02) = 0.258% HB THR 24 - HB3 PRO 86 10.000% * 0.1888% (0.25 0.02 0.02) = 0.189% HA LYS+ 32 - HB2 PRO 86 10.000% * 0.1575% (0.21 0.02 0.02) = 0.157% HB THR 24 - HB2 PRO 86 10.000% * 0.1151% (0.15 0.02 0.02) = 0.115% Peak 2066 (4.39, 2.18, 32.14 ppm): 26 chemical-shift based assignments, quality = 0.671, support = 4.56, residual support = 48.3: O T HA PRO 104 - HB3 PRO 104 3.846% * 90.8229% (0.72 10.0 10.00 4.97 53.16) = 90.823% kept T HA THR 95 - HB3 GLU- 75 3.846% * 6.9365% (0.17 1.0 10.00 0.64 0.21) = 6.936% kept T HA THR 95 - HB3 PRO 104 3.846% * 1.0447% (0.82 1.0 10.00 0.02 0.02) = 1.045% kept T HA PRO 104 - HB3 GLU- 75 3.846% * 0.1875% (0.15 1.0 10.00 0.02 0.02) = 0.188% HA SER 88 - HB3 PRO 104 3.846% * 0.1240% (0.98 1.0 1.00 0.02 0.02) = 0.124% HA ALA 91 - HB3 PRO 104 3.846% * 0.1183% (0.93 1.0 1.00 0.02 0.02) = 0.118% HA ASN 57 - HB3 PRO 104 3.846% * 0.1085% (0.86 1.0 1.00 0.02 0.02) = 0.108% HA SER 27 - HB3 PRO 104 3.846% * 0.0956% (0.75 1.0 1.00 0.02 0.17) = 0.096% HA ALA 37 - HB3 PRO 104 3.846% * 0.0908% (0.72 1.0 1.00 0.02 0.02) = 0.091% HA LYS+ 60 - HB3 PRO 104 3.846% * 0.0759% (0.60 1.0 1.00 0.02 0.02) = 0.076% HA TRP 51 - HB3 PRO 104 3.846% * 0.0708% (0.56 1.0 1.00 0.02 0.02) = 0.071% HA PRO 86 - HB3 PRO 104 3.846% * 0.0469% (0.37 1.0 1.00 0.02 0.02) = 0.047% HB THR 61 - HB3 PRO 104 3.846% * 0.0427% (0.34 1.0 1.00 0.02 0.02) = 0.043% HA2 GLY 26 - HB3 PRO 104 3.846% * 0.0312% (0.25 1.0 1.00 0.02 0.02) = 0.031% HA HIS+ 14 - HB3 PRO 104 3.846% * 0.0312% (0.25 1.0 1.00 0.02 0.02) = 0.031% HA SER 88 - HB3 GLU- 75 3.846% * 0.0256% (0.20 1.0 1.00 0.02 0.02) = 0.026% HA ALA 91 - HB3 GLU- 75 3.846% * 0.0244% (0.19 1.0 1.00 0.02 0.02) = 0.024% HA ASN 57 - HB3 GLU- 75 3.846% * 0.0224% (0.18 1.0 1.00 0.02 0.60) = 0.022% HA SER 27 - HB3 GLU- 75 3.846% * 0.0197% (0.16 1.0 1.00 0.02 0.02) = 0.020% HA ALA 37 - HB3 GLU- 75 3.846% * 0.0188% (0.15 1.0 1.00 0.02 0.02) = 0.019% HA LYS+ 60 - HB3 GLU- 75 3.846% * 0.0157% (0.12 1.0 1.00 0.02 0.97) = 0.016% HA TRP 51 - HB3 GLU- 75 3.846% * 0.0146% (0.12 1.0 1.00 0.02 0.02) = 0.015% HA PRO 86 - HB3 GLU- 75 3.846% * 0.0097% (0.08 1.0 1.00 0.02 1.98) = 0.010% HB THR 61 - HB3 GLU- 75 3.846% * 0.0088% (0.07 1.0 1.00 0.02 1.01) = 0.009% HA2 GLY 26 - HB3 GLU- 75 3.846% * 0.0064% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA HIS+ 14 - HB3 GLU- 75 3.846% * 0.0064% (0.05 1.0 1.00 0.02 0.02) = 0.006% Peak 2067 (4.39, 1.84, 32.20 ppm): 42 chemical-shift based assignments, quality = 0.7, support = 4.82, residual support = 51.2: O T HA PRO 104 - HB2 PRO 104 2.381% * 96.3130% (0.72 10.0 10.00 5.00 53.16) = 96.313% kept T HA THR 95 - HB2 PRO 104 2.381% * 1.0787% (0.80 1.0 10.00 0.02 0.02) = 1.079% kept T HA LYS+ 60 - HB2 PRO 104 2.381% * 0.6328% (0.47 1.0 10.00 0.02 0.02) = 0.633% T HA TRP 51 - HB2 PRO 104 2.381% * 0.5855% (0.44 1.0 10.00 0.02 0.02) = 0.585% T HA THR 95 - HB2 PRO 59 2.381% * 0.1768% (0.13 1.0 10.00 0.02 0.02) = 0.177% T HA PRO 104 - HB2 PRO 59 2.381% * 0.1578% (0.12 1.0 10.00 0.02 0.02) = 0.158% HA SER 88 - HB2 PRO 104 2.381% * 0.1161% (0.86 1.0 1.00 0.02 0.02) = 0.116% HA ASN 57 - HB2 PRO 104 2.381% * 0.1110% (0.83 1.0 1.00 0.02 0.02) = 0.111% HA ALA 91 - HB2 PRO 104 2.381% * 0.1079% (0.80 1.0 1.00 0.02 0.02) = 0.108% T HA LYS+ 60 - HB2 PRO 59 2.381% * 0.1037% (0.08 1.0 10.00 0.02 10.43) = 0.104% T HA TRP 51 - HB2 PRO 59 2.381% * 0.0959% (0.07 1.0 10.00 0.02 0.02) = 0.096% HA SER 27 - HB2 PRO 104 2.381% * 0.0826% (0.62 1.0 1.00 0.02 0.17) = 0.083% HA ALA 37 - HB2 PRO 104 2.381% * 0.0778% (0.58 1.0 1.00 0.02 0.02) = 0.078% HA PRO 86 - HB2 PRO 104 2.381% * 0.0539% (0.40 1.0 1.00 0.02 0.02) = 0.054% HA HIS+ 14 - HB2 PRO 104 2.381% * 0.0371% (0.28 1.0 1.00 0.02 0.02) = 0.037% HB THR 61 - HB2 PRO 104 2.381% * 0.0334% (0.25 1.0 1.00 0.02 0.02) = 0.033% HA2 GLY 26 - HB2 PRO 104 2.381% * 0.0238% (0.18 1.0 1.00 0.02 0.02) = 0.024% HA SER 88 - HB2 PRO 59 2.381% * 0.0190% (0.14 1.0 1.00 0.02 0.02) = 0.019% HA LYS+ 66 - HB2 PRO 104 2.381% * 0.0186% (0.14 1.0 1.00 0.02 0.02) = 0.019% HA ASN 57 - HB2 PRO 59 2.381% * 0.0182% (0.14 1.0 1.00 0.02 0.02) = 0.018% HA ALA 91 - HB2 PRO 59 2.381% * 0.0177% (0.13 1.0 1.00 0.02 0.02) = 0.018% HA SER 27 - HB2 PRO 59 2.381% * 0.0135% (0.10 1.0 1.00 0.02 0.02) = 0.014% HA ALA 37 - HB2 PRO 59 2.381% * 0.0127% (0.09 1.0 1.00 0.02 0.02) = 0.013% HA SER 88 - HB3 ARG+ 84 2.381% * 0.0100% (0.07 1.0 1.00 0.02 0.02) = 0.010% HA ASN 57 - HB3 ARG+ 84 2.381% * 0.0096% (0.07 1.0 1.00 0.02 0.02) = 0.010% HA ALA 91 - HB3 ARG+ 84 2.381% * 0.0093% (0.07 1.0 1.00 0.02 0.02) = 0.009% HA THR 95 - HB3 ARG+ 84 2.381% * 0.0093% (0.07 1.0 1.00 0.02 0.02) = 0.009% HA PRO 86 - HB2 PRO 59 2.381% * 0.0088% (0.07 1.0 1.00 0.02 0.02) = 0.009% HA PRO 104 - HB3 ARG+ 84 2.381% * 0.0083% (0.06 1.0 1.00 0.02 0.02) = 0.008% HA SER 27 - HB3 ARG+ 84 2.381% * 0.0071% (0.05 1.0 1.00 0.02 0.02) = 0.007% HA ALA 37 - HB3 ARG+ 84 2.381% * 0.0067% (0.05 1.0 1.00 0.02 0.02) = 0.007% HA HIS+ 14 - HB2 PRO 59 2.381% * 0.0061% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB THR 61 - HB2 PRO 59 2.381% * 0.0055% (0.04 1.0 1.00 0.02 0.90) = 0.005% HA LYS+ 60 - HB3 ARG+ 84 2.381% * 0.0054% (0.04 1.0 1.00 0.02 0.02) = 0.005% HA TRP 51 - HB3 ARG+ 84 2.381% * 0.0050% (0.04 1.0 1.00 0.02 0.02) = 0.005% HA PRO 86 - HB3 ARG+ 84 2.381% * 0.0046% (0.03 1.0 1.00 0.02 0.02) = 0.005% HA2 GLY 26 - HB2 PRO 59 2.381% * 0.0039% (0.03 1.0 1.00 0.02 0.02) = 0.004% HA HIS+ 14 - HB3 ARG+ 84 2.381% * 0.0032% (0.02 1.0 1.00 0.02 0.02) = 0.003% HA LYS+ 66 - HB2 PRO 59 2.381% * 0.0030% (0.02 1.0 1.00 0.02 0.02) = 0.003% HB THR 61 - HB3 ARG+ 84 2.381% * 0.0029% (0.02 1.0 1.00 0.02 0.02) = 0.003% HA2 GLY 26 - HB3 ARG+ 84 2.381% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% HA LYS+ 66 - HB3 ARG+ 84 2.381% * 0.0016% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 2068 (3.86, 2.32, 32.16 ppm): 14 chemical-shift based assignments, quality = 0.371, support = 2.73, residual support = 8.34: O T HD2 PRO 86 - HB3 PRO 86 7.143% * 44.8634% (0.24 10.0 10.00 3.55 11.94) = 44.863% kept O T HD2 PRO 86 - HB2 PRO 86 7.143% * 22.8425% (0.12 10.0 10.00 3.55 11.94) = 22.843% kept HB2 SER 85 - HB3 PRO 86 7.143% * 12.2841% (0.94 1.0 1.00 1.39 1.32) = 12.284% kept HB2 SER 85 - HB2 PRO 86 7.143% * 6.2545% (0.48 1.0 1.00 1.39 1.32) = 6.255% kept HB3 SER 88 - HB3 PRO 86 7.143% * 6.0598% (0.95 1.0 1.00 0.68 0.10) = 6.060% kept HB3 SER 88 - HB2 PRO 86 7.143% * 3.0854% (0.48 1.0 1.00 0.68 0.10) = 3.085% kept HA GLU- 45 - HB3 PRO 86 7.143% * 2.0619% (0.73 1.0 1.00 0.30 0.02) = 2.062% kept HA GLU- 45 - HB2 PRO 86 7.143% * 1.0499% (0.37 1.0 1.00 0.30 0.02) = 1.050% kept T HD3 PRO 35 - HB3 PRO 86 7.143% * 0.6753% (0.36 1.0 10.00 0.02 0.02) = 0.675% T HD3 PRO 35 - HB2 PRO 86 7.143% * 0.3438% (0.18 1.0 10.00 0.02 0.02) = 0.344% HB3 SER 77 - HB3 PRO 86 7.143% * 0.1736% (0.92 1.0 1.00 0.02 0.02) = 0.174% HB3 SER 27 - HB3 PRO 86 7.143% * 0.1441% (0.77 1.0 1.00 0.02 0.02) = 0.144% HB3 SER 77 - HB2 PRO 86 7.143% * 0.0884% (0.47 1.0 1.00 0.02 0.02) = 0.088% HB3 SER 27 - HB2 PRO 86 7.143% * 0.0734% (0.39 1.0 1.00 0.02 0.02) = 0.073% Peak 2069 (3.86, 1.97, 32.17 ppm): 14 chemical-shift based assignments, quality = 0.131, support = 0.59, residual support = 0.938: HB2 SER 85 - HB2 GLU- 75 7.143% * 34.8048% (0.22 0.43 0.13) = 34.805% kept HD2 PRO 86 - HB2 GLU- 75 7.143% * 24.1021% (0.05 1.28 1.98) = 24.102% kept HD3 PRO 35 - HB2 GLU- 75 7.143% * 15.7383% (0.08 0.55 2.60) = 15.738% kept HB2 SER 85 - HB VAL 73 7.143% * 8.8064% (0.15 0.16 0.02) = 8.806% kept HD2 PRO 86 - HB VAL 73 7.143% * 6.4244% (0.03 0.50 0.02) = 6.424% kept HB3 SER 88 - HB2 GLU- 75 7.143% * 1.6585% (0.22 0.02 0.02) = 1.658% kept HB3 SER 77 - HB2 GLU- 75 7.143% * 1.6005% (0.21 0.02 0.02) = 1.601% kept HB3 SER 27 - HB2 GLU- 75 7.143% * 1.2930% (0.17 0.02 0.02) = 1.293% kept HA GLU- 45 - HB2 GLU- 75 7.143% * 1.2286% (0.16 0.02 0.02) = 1.229% kept HB3 SER 88 - HB VAL 73 7.143% * 1.1330% (0.15 0.02 0.02) = 1.133% kept HB3 SER 77 - HB VAL 73 7.143% * 1.0934% (0.15 0.02 0.02) = 1.093% kept HB3 SER 27 - HB VAL 73 7.143% * 0.8833% (0.12 0.02 0.02) = 0.883% HA GLU- 45 - HB VAL 73 7.143% * 0.8393% (0.11 0.02 2.08) = 0.839% HD3 PRO 35 - HB VAL 73 7.143% * 0.3943% (0.05 0.02 0.14) = 0.394% Not enough quality. Peak unassigned. Peak 2070 (3.76, 2.18, 32.19 ppm): 4 chemical-shift based assignments, quality = 0.662, support = 5.03, residual support = 53.1: O HD3 PRO 104 - HB3 PRO 104 25.000% * 99.9116% (0.66 10.0 5.04 53.16) = 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2072 (3.44, 2.06, 32.18 ppm): 12 chemical-shift based assignments, quality = 0.356, support = 1.59, residual support = 16.2: O T HA VAL 62 - HB VAL 62 8.333% * 60.8529% (0.29 10.0 10.00 2.21 26.40) = 60.853% kept T HA VAL 62 - HB3 GLU- 75 8.333% * 27.8096% (0.50 1.0 10.00 0.52 0.12) = 27.810% kept HA ILE 48 - HB3 GLU- 75 8.333% * 6.0382% (0.39 1.0 1.00 1.47 1.96) = 6.038% kept T HA VAL 40 - HB3 GLU- 75 8.333% * 4.5041% (0.41 1.0 10.00 0.10 0.02) = 4.504% kept T HA VAL 40 - HB VAL 62 8.333% * 0.4916% (0.23 1.0 10.00 0.02 0.02) = 0.492% HA VAL 80 - HB3 GLU- 75 8.333% * 0.0820% (0.39 1.0 1.00 0.02 0.02) = 0.082% HD3 PRO 31 - HB3 GLU- 75 8.333% * 0.0481% (0.23 1.0 1.00 0.02 0.02) = 0.048% HA VAL 80 - HB VAL 62 8.333% * 0.0469% (0.22 1.0 1.00 0.02 0.02) = 0.047% HA ILE 48 - HB VAL 62 8.333% * 0.0469% (0.22 1.0 1.00 0.02 4.15) = 0.047% HA1 GLY 71 - HB3 GLU- 75 8.333% * 0.0331% (0.16 1.0 1.00 0.02 0.02) = 0.033% HD3 PRO 31 - HB VAL 62 8.333% * 0.0275% (0.13 1.0 1.00 0.02 0.02) = 0.028% HA1 GLY 71 - HB VAL 62 8.333% * 0.0189% (0.09 1.0 1.00 0.02 0.24) = 0.019% Peak 2080 (2.61, 2.61, 32.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2084 (2.50, 2.49, 32.19 ppm): 1 diagonal assignment: HB3 PRO 59 - HB3 PRO 59 (0.12) kept Peak 2089 (2.31, 1.95, 32.25 ppm): 7 chemical-shift based assignments, quality = 0.44, support = 1.65, residual support = 2.31: T HB3 PRO 35 - HB2 GLU- 75 14.286% * 57.6727% (0.47 10.00 2.19 2.60) = 57.673% kept T HB3 PRO 86 - HB2 GLU- 75 14.286% * 26.8646% (0.46 10.00 0.95 1.98) = 26.865% kept T HB2 PRO 86 - HB2 GLU- 75 14.286% * 13.1234% (0.29 10.00 0.75 1.98) = 13.123% kept HA1 GLY 58 - HB2 GLU- 75 14.286% * 2.2888% (0.26 1.00 1.43 0.59) = 2.289% kept HB2 TYR 83 - HB2 GLU- 75 14.286% * 0.0281% (0.23 1.00 0.02 0.02) = 0.028% HB2 LYS+ 44 - HB2 GLU- 75 14.286% * 0.0128% (0.11 1.00 0.02 0.58) = 0.013% HG2 GLU- 64 - HB2 GLU- 75 14.286% * 0.0096% (0.08 1.00 0.02 0.02) = 0.010% Peak 2095 (2.18, 1.84, 32.19 ppm): 36 chemical-shift based assignments, quality = 0.618, support = 3.5, residual support = 49.7: O T HB3 PRO 104 - HB2 PRO 104 2.778% * 62.8842% (0.78 10.0 10.00 3.97 53.16) = 62.884% kept O HG2 PRO 104 - HB2 PRO 104 2.778% * 30.6090% (0.38 10.0 1.00 3.22 53.16) = 30.609% kept T HA1 GLY 58 - HB2 PRO 104 2.778% * 4.3649% (0.25 1.0 10.00 0.44 0.14) = 4.365% kept T HB3 GLU- 75 - HB2 PRO 59 2.778% * 0.5747% (0.05 1.0 10.00 0.30 0.02) = 0.575% HG2 GLU- 64 - HB2 PRO 104 2.778% * 0.2776% (0.78 1.0 1.00 0.09 0.02) = 0.278% HG3 GLU- 64 - HB2 PRO 104 2.778% * 0.2774% (0.69 1.0 1.00 0.10 0.02) = 0.277% T HB3 GLU- 75 - HB2 PRO 104 2.778% * 0.2002% (0.25 1.0 10.00 0.02 0.02) = 0.200% HB3 PRO 35 - HB2 PRO 104 2.778% * 0.1618% (0.51 1.0 1.00 0.08 0.02) = 0.162% T HB3 PRO 104 - HB2 PRO 59 2.778% * 0.1185% (0.15 1.0 10.00 0.02 0.02) = 0.118% HB VAL 99 - HB2 PRO 104 2.778% * 0.0627% (0.78 1.0 1.00 0.02 0.02) = 0.063% HG2 GLN 16 - HB2 PRO 104 2.778% * 0.0627% (0.78 1.0 1.00 0.02 0.02) = 0.063% HB2 ASP- 82 - HB2 PRO 104 2.778% * 0.0595% (0.74 1.0 1.00 0.02 0.02) = 0.059% HG2 GLN 102 - HB2 PRO 104 2.778% * 0.0580% (0.72 1.0 1.00 0.02 0.02) = 0.058% T HA1 GLY 58 - HB2 PRO 59 2.778% * 0.0375% (0.05 1.0 10.00 0.02 0.97) = 0.037% T HB3 GLU- 75 - HB3 ARG+ 84 2.778% * 0.0326% (0.04 1.0 10.00 0.02 0.02) = 0.033% T HA1 GLY 58 - HB3 ARG+ 84 2.778% * 0.0324% (0.04 1.0 10.00 0.02 0.56) = 0.032% HG3 GLN 16 - HB2 PRO 104 2.778% * 0.0175% (0.22 1.0 1.00 0.02 0.02) = 0.017% HG2 GLN 16 - HB2 PRO 59 2.778% * 0.0118% (0.15 1.0 1.00 0.02 0.02) = 0.012% HB VAL 99 - HB2 PRO 59 2.778% * 0.0118% (0.15 1.0 1.00 0.02 0.02) = 0.012% HG2 GLU- 64 - HB2 PRO 59 2.778% * 0.0118% (0.15 1.0 1.00 0.02 0.02) = 0.012% HB2 ASP- 82 - HB2 PRO 59 2.778% * 0.0112% (0.14 1.0 1.00 0.02 0.02) = 0.011% HG2 GLN 102 - HB2 PRO 59 2.778% * 0.0109% (0.14 1.0 1.00 0.02 0.02) = 0.011% HG3 GLU- 64 - HB2 PRO 59 2.778% * 0.0105% (0.13 1.0 1.00 0.02 0.02) = 0.011% HB3 PRO 104 - HB3 ARG+ 84 2.778% * 0.0103% (0.13 1.0 1.00 0.02 0.02) = 0.010% HB VAL 99 - HB3 ARG+ 84 2.778% * 0.0102% (0.13 1.0 1.00 0.02 0.02) = 0.010% HG2 GLN 16 - HB3 ARG+ 84 2.778% * 0.0102% (0.13 1.0 1.00 0.02 0.50) = 0.010% HG2 GLU- 64 - HB3 ARG+ 84 2.778% * 0.0102% (0.13 1.0 1.00 0.02 0.02) = 0.010% HB2 ASP- 82 - HB3 ARG+ 84 2.778% * 0.0097% (0.12 1.0 1.00 0.02 0.02) = 0.010% HG2 GLN 102 - HB3 ARG+ 84 2.778% * 0.0095% (0.12 1.0 1.00 0.02 0.02) = 0.009% HG3 GLU- 64 - HB3 ARG+ 84 2.778% * 0.0091% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB3 PRO 35 - HB2 PRO 59 2.778% * 0.0077% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 PRO 35 - HB3 ARG+ 84 2.778% * 0.0067% (0.08 1.0 1.00 0.02 0.02) = 0.007% HG2 PRO 104 - HB2 PRO 59 2.778% * 0.0058% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG2 PRO 104 - HB3 ARG+ 84 2.778% * 0.0050% (0.06 1.0 1.00 0.02 0.02) = 0.005% HG3 GLN 16 - HB2 PRO 59 2.778% * 0.0033% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG3 GLN 16 - HB3 ARG+ 84 2.778% * 0.0029% (0.04 1.0 1.00 0.02 0.50) = 0.003% Peak 2097 (1.89, 1.89, 32.31 ppm): 7 chemical-shift based assignments, quality = 0.106, support = 0.122, residual support = 0.02: HB3 GLN 102 - HB2 PRO 104 14.286% * 35.5400% (0.08 0.19 0.02) = 35.540% kept HG2 GLU- 18 - HB2 PRO 104 14.286% * 30.1535% (0.13 0.11 0.02) = 30.154% kept HB3 GLN 16 - HB2 PRO 104 14.286% * 23.7967% (0.13 0.08 0.02) = 23.797% kept HB3 ARG+ 53 - HB2 PRO 104 14.286% * 5.1869% (0.12 0.02 0.02) = 5.187% kept HD3 LYS+ 63 - HB2 PRO 104 14.286% * 2.5930% (0.06 0.02 0.02) = 2.593% kept HB3 GLU- 56 - HB2 PRO 104 14.286% * 1.4422% (0.03 0.02 0.02) = 1.442% kept HB2 LEU 23 - HB2 PRO 104 14.286% * 1.2876% (0.03 0.02 0.02) = 1.288% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2098 (1.85, 2.18, 32.17 ppm): 12 chemical-shift based assignments, quality = 0.962, support = 3.89, residual support = 52.0: O T HB2 PRO 104 - HB3 PRO 104 8.333% * 97.8832% (0.97 10.0 10.00 3.97 53.16) = 97.883% kept HB3 LYS+ 60 - HB3 PRO 104 8.333% * 1.1575% (0.95 1.0 1.00 0.24 0.02) = 1.158% kept T HB2 PRO 59 - HB3 PRO 104 8.333% * 0.3369% (0.33 1.0 10.00 0.02 0.02) = 0.337% T HB2 PRO 104 - HB3 GLU- 75 8.333% * 0.2123% (0.21 1.0 10.00 0.02 0.02) = 0.212% HB3 LYS+ 72 - HB3 PRO 104 8.333% * 0.0968% (0.96 1.0 1.00 0.02 0.02) = 0.097% HB VAL 94 - HB3 PRO 104 8.333% * 0.0953% (0.95 1.0 1.00 0.02 0.02) = 0.095% T HB2 PRO 59 - HB3 GLU- 75 8.333% * 0.0731% (0.07 1.0 10.00 0.02 0.02) = 0.073% HB2 LYS+ 66 - HB3 PRO 104 8.333% * 0.0678% (0.67 1.0 1.00 0.02 0.02) = 0.068% HB3 LYS+ 72 - HB3 GLU- 75 8.333% * 0.0210% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB3 LYS+ 60 - HB3 GLU- 75 8.333% * 0.0207% (0.21 1.0 1.00 0.02 0.97) = 0.021% HB VAL 94 - HB3 GLU- 75 8.333% * 0.0207% (0.21 1.0 1.00 0.02 0.51) = 0.021% HB2 LYS+ 66 - HB3 GLU- 75 8.333% * 0.0147% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 2101 (0.92, 2.27, 32.00 ppm): 26 chemical-shift based assignments, quality = 0.761, support = 2.03, residual support = 25.6: O QG2 VAL 80 - HB VAL 80 3.846% * 78.6947% (0.92 10.0 1.76 26.28) = 78.695% kept O QG1 VAL 80 - HB VAL 80 3.846% * 18.3148% (0.19 10.0 3.17 26.28) = 18.315% kept QG2 VAL 87 - HB2 PRO 86 3.846% * 2.2769% (0.16 1.0 2.90 4.93) = 2.277% kept HG12 ILE 68 - HB VAL 80 3.846% * 0.0773% (0.80 1.0 0.02 0.02) = 0.077% QD1 LEU 67 - HB VAL 80 3.846% * 0.0599% (0.62 1.0 0.02 0.02) = 0.060% HB2 ARG+ 84 - HB VAL 80 3.846% * 0.0561% (0.58 1.0 0.02 0.02) = 0.056% QG2 VAL 105 - HB VAL 80 3.846% * 0.0524% (0.54 1.0 0.02 0.02) = 0.052% QG1 VAL 47 - HB VAL 80 3.846% * 0.0524% (0.54 1.0 0.02 0.02) = 0.052% QD1 LEU 17 - HB VAL 80 3.846% * 0.0487% (0.50 1.0 0.02 0.02) = 0.049% QG2 VAL 40 - HB VAL 80 3.846% * 0.0450% (0.46 1.0 0.02 0.02) = 0.045% QG1 VAL 105 - HB VAL 80 3.846% * 0.0450% (0.46 1.0 0.02 0.02) = 0.045% QG2 VAL 87 - HB VAL 80 3.846% * 0.0450% (0.46 1.0 0.02 0.02) = 0.045% QG2 VAL 80 - HB2 PRO 86 3.846% * 0.0312% (0.32 1.0 0.02 0.02) = 0.031% HG12 ILE 68 - HB2 PRO 86 3.846% * 0.0270% (0.28 1.0 0.02 0.02) = 0.027% QD1 LEU 67 - HB2 PRO 86 3.846% * 0.0209% (0.22 1.0 0.02 0.02) = 0.021% HB2 ARG+ 84 - HB2 PRO 86 3.846% * 0.0196% (0.20 1.0 0.02 0.02) = 0.020% QG2 VAL 62 - HB VAL 80 3.846% * 0.0183% (0.19 1.0 0.02 0.02) = 0.018% QG1 VAL 47 - HB2 PRO 86 3.846% * 0.0183% (0.19 1.0 0.02 0.02) = 0.018% QG2 VAL 105 - HB2 PRO 86 3.846% * 0.0183% (0.19 1.0 0.02 0.02) = 0.018% QD1 LEU 17 - HB2 PRO 86 3.846% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% QG1 VAL 105 - HB2 PRO 86 3.846% * 0.0157% (0.16 1.0 0.02 0.02) = 0.016% QG2 VAL 40 - HB2 PRO 86 3.846% * 0.0157% (0.16 1.0 0.02 0.02) = 0.016% QG2 VAL 73 - HB VAL 80 3.846% * 0.0125% (0.13 1.0 0.02 0.02) = 0.013% QG2 VAL 62 - HB2 PRO 86 3.846% * 0.0064% (0.07 1.0 0.02 0.02) = 0.006% QG1 VAL 80 - HB2 PRO 86 3.846% * 0.0064% (0.07 1.0 0.02 0.02) = 0.006% QG2 VAL 73 - HB2 PRO 86 3.846% * 0.0044% (0.04 1.0 0.02 0.02) = 0.004% Peak 2102 (8.59, 1.96, 31.75 ppm): 8 chemical-shift based assignments, quality = 0.645, support = 3.07, residual support = 19.6: O HN VAL 73 - HB VAL 73 12.500% * 98.2154% (0.65 10.0 3.12 19.96) = 98.215% kept HN LYS+ 20 - HB2 GLU- 75 12.500% * 1.2495% (0.40 1.0 0.41 0.02) = 1.250% kept HN THR 39 - HB VAL 73 12.500% * 0.1240% (0.82 1.0 0.02 0.19) = 0.124% HN LYS+ 20 - HB VAL 73 12.500% * 0.1240% (0.82 1.0 0.02 0.02) = 0.124% HN VAL 80 - HB VAL 73 12.500% * 0.1194% (0.79 1.0 0.02 0.02) = 0.119% HN THR 39 - HB2 GLU- 75 12.500% * 0.0608% (0.40 1.0 0.02 0.14) = 0.061% HN VAL 80 - HB2 GLU- 75 12.500% * 0.0586% (0.39 1.0 0.02 0.02) = 0.059% HN VAL 73 - HB2 GLU- 75 12.500% * 0.0482% (0.32 1.0 0.02 0.02) = 0.048% Peak 2103 (7.42, 2.35, 31.82 ppm): 2 chemical-shift based assignments, quality = 0.0282, support = 1.51, residual support = 1.71: HN GLU- 64 - HB3 PRO 86 50.000% * 51.9521% (0.01 2.36 2.89) = 51.952% kept HN THR 61 - HB3 PRO 86 50.000% * 48.0479% (0.05 0.59 0.42) = 48.048% kept Not enough quality. Peak unassigned. Peak 2104 (4.29, 2.24, 32.00 ppm): 11 chemical-shift based assignments, quality = 0.304, support = 0.6, residual support = 2.2: HA THR 106 - HB VAL 80 9.091% * 77.7179% (0.34 0.75 2.83) = 77.718% kept HA LEU 90 - HB VAL 80 9.091% * 7.2465% (0.25 0.10 0.02) = 7.247% kept HA VAL 94 - HB VAL 80 9.091% * 6.6693% (0.15 0.15 0.02) = 6.669% kept HA ASP- 36 - HB VAL 80 9.091% * 2.1715% (0.36 0.02 0.02) = 2.171% kept HA ILE 29 - HB VAL 80 9.091% * 1.3288% (0.22 0.02 0.02) = 1.329% kept HA ALA 93 - HB VAL 80 9.091% * 0.9007% (0.15 0.02 0.02) = 0.901% HA SER 85 - HB VAL 80 9.091% * 0.8223% (0.14 0.02 0.02) = 0.822% HD3 PRO 59 - HB VAL 80 9.091% * 0.8223% (0.14 0.02 0.02) = 0.822% HA PRO 52 - HB VAL 80 9.091% * 0.8223% (0.14 0.02 0.02) = 0.822% HA ARG+ 84 - HB VAL 80 9.091% * 0.8223% (0.14 0.02 0.02) = 0.822% HA VAL 65 - HB VAL 80 9.091% * 0.6762% (0.11 0.02 0.02) = 0.676% Peak 2105 (4.27, 2.36, 31.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2107 (3.15, 2.91, 31.92 ppm): 7 chemical-shift based assignments, quality = 0.615, support = 2.1, residual support = 24.6: O T HB3 HIS+ 98 - HB2 HIS+ 98 14.286% * 99.6994% (0.62 10.0 10.00 2.10 24.66) = 99.699% kept HD2 ARG+ 53 - HB2 HIS+ 98 14.286% * 0.1090% (0.67 1.0 1.00 0.02 0.02) = 0.109% HB3 PHE 34 - HB2 HIS+ 98 14.286% * 0.0629% (0.39 1.0 1.00 0.02 0.02) = 0.063% HE3 LYS+ 108 - HB2 HIS+ 98 14.286% * 0.0379% (0.23 1.0 1.00 0.02 0.02) = 0.038% HE3 LYS+ 72 - HB2 HIS+ 98 14.286% * 0.0343% (0.21 1.0 1.00 0.02 0.02) = 0.034% HD3 ARG+ 84 - HB2 HIS+ 98 14.286% * 0.0309% (0.19 1.0 1.00 0.02 0.02) = 0.031% HA1 GLY 58 - HB2 HIS+ 98 14.286% * 0.0256% (0.16 1.0 1.00 0.02 0.02) = 0.026% Peak 2108 (2.92, 3.15, 31.92 ppm): 5 chemical-shift based assignments, quality = 0.587, support = 1.84, residual support = 20.6: O T HB2 HIS+ 98 - HB3 HIS+ 98 20.000% * 83.5820% (0.62 10.0 10.00 2.10 24.66) = 83.582% kept T HA1 GLY 58 - HB3 HIS+ 98 20.000% * 13.3814% (0.42 1.0 10.00 0.47 0.02) = 13.381% kept HE3 LYS+ 81 - HB3 HIS+ 98 20.000% * 2.8986% (0.51 1.0 1.00 0.84 0.26) = 2.899% kept HE3 LYS+ 60 - HB3 HIS+ 98 20.000% * 0.0751% (0.56 1.0 1.00 0.02 0.02) = 0.075% HB3 ASN 57 - HB3 HIS+ 98 20.000% * 0.0629% (0.47 1.0 1.00 0.02 0.02) = 0.063% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2113 (1.91, 1.62, 31.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2114 (1.62, 2.23, 31.94 ppm): 7 chemical-shift based assignments, quality = 0.108, support = 0.637, residual support = 2.6: HG LEU 43 - HB VAL 80 14.286% * 50.5963% (0.11 0.99 5.12) = 50.596% kept HG3 LYS+ 78 - HB VAL 80 14.286% * 21.7217% (0.13 0.37 0.02) = 21.722% kept HG12 ILE 101 - HB VAL 80 14.286% * 9.2833% (0.11 0.19 0.02) = 9.283% kept HD3 LYS+ 32 - HB VAL 80 14.286% * 8.9664% (0.07 0.27 0.02) = 8.966% kept HG LEU 23 - HB VAL 80 14.286% * 8.2262% (0.10 0.18 0.02) = 8.226% kept HB ILE 68 - HB VAL 80 14.286% * 1.0240% (0.11 0.02 0.02) = 1.024% kept HB3 LYS+ 32 - HB VAL 80 14.286% * 0.1821% (0.02 0.02 0.02) = 0.182% Not enough quality. Peak unassigned. Peak 2115 (1.62, 1.61, 31.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2116 (1.46, 2.02, 31.93 ppm): 7 chemical-shift based assignments, quality = 0.276, support = 1.38, residual support = 1.32: HG3 LYS+ 60 - HB3 GLU- 75 14.286% * 32.2773% (0.27 1.81 0.97) = 32.277% kept HB3 LEU 67 - HB3 GLU- 75 14.286% * 30.2086% (0.30 1.56 1.73) = 30.209% kept HG13 ILE 48 - HB3 GLU- 75 14.286% * 22.5697% (0.31 1.12 1.96) = 22.570% kept HB3 LYS+ 44 - HB3 GLU- 75 14.286% * 6.5152% (0.14 0.71 0.58) = 6.515% kept HG2 PRO 59 - HB3 GLU- 75 14.286% * 5.4231% (0.27 0.30 0.02) = 5.423% kept QB ALA 70 - HB3 GLU- 75 14.286% * 2.8920% (0.13 0.34 0.02) = 2.892% kept HG LEU 90 - HB3 GLU- 75 14.286% * 0.1141% (0.09 0.02 1.95) = 0.114% Peak 2117 (0.94, 1.97, 31.80 ppm): 20 chemical-shift based assignments, quality = 0.77, support = 2.22, residual support = 18.1: O QG2 VAL 73 - HB VAL 73 5.000% * 90.0863% (0.78 10.0 2.38 19.96) = 90.086% kept HG12 ILE 68 - HB VAL 73 5.000% * 4.5399% (0.74 1.0 1.06 2.96) = 4.540% kept QG2 VAL 62 - HB VAL 73 5.000% * 2.6213% (0.87 1.0 0.52 0.02) = 2.621% kept QG2 VAL 80 - HB VAL 73 5.000% * 1.8154% (0.55 1.0 0.57 0.02) = 1.815% kept QG1 VAL 105 - HB VAL 73 5.000% * 0.1115% (0.97 1.0 0.02 0.02) = 0.112% QD1 LEU 17 - HB VAL 73 5.000% * 0.1103% (0.96 1.0 0.02 0.21) = 0.110% QG2 VAL 105 - HB VAL 73 5.000% * 0.1086% (0.94 1.0 0.02 0.02) = 0.109% HB2 ARG+ 84 - HB VAL 73 5.000% * 0.1064% (0.92 1.0 0.02 0.02) = 0.106% QG2 ILE 29 - HB VAL 73 5.000% * 0.0860% (0.74 1.0 0.02 0.02) = 0.086% QG1 VAL 105 - HB2 GLU- 75 5.000% * 0.0458% (0.40 1.0 0.02 0.02) = 0.046% QD1 LEU 17 - HB2 GLU- 75 5.000% * 0.0453% (0.39 1.0 0.02 0.02) = 0.045% QG2 VAL 105 - HB2 GLU- 75 5.000% * 0.0446% (0.39 1.0 0.02 0.02) = 0.045% HB2 ARG+ 84 - HB2 GLU- 75 5.000% * 0.0437% (0.38 1.0 0.02 0.02) = 0.044% QG2 VAL 99 - HB VAL 73 5.000% * 0.0422% (0.37 1.0 0.02 0.02) = 0.042% QG2 VAL 62 - HB2 GLU- 75 5.000% * 0.0415% (0.36 1.0 0.02 0.12) = 0.041% QG2 VAL 73 - HB2 GLU- 75 5.000% * 0.0370% (0.32 1.0 0.02 0.02) = 0.037% QG2 ILE 29 - HB2 GLU- 75 5.000% * 0.0353% (0.31 1.0 0.02 1.70) = 0.035% HG12 ILE 68 - HB2 GLU- 75 5.000% * 0.0353% (0.31 1.0 0.02 0.14) = 0.035% QG2 VAL 80 - HB2 GLU- 75 5.000% * 0.0262% (0.23 1.0 0.02 0.02) = 0.026% QG2 VAL 99 - HB2 GLU- 75 5.000% * 0.0173% (0.15 1.0 0.02 0.02) = 0.017% Peak 2119 (7.34, 1.87, 31.57 ppm): 7 chemical-shift based assignments, quality = 0.048, support = 0.553, residual support = 0.54: HN ARG+ 84 - HB3 GLN 16 14.286% * 36.7091% (0.04 0.91 0.50) = 36.709% kept QD PHE 34 - HB3 GLN 16 14.286% * 23.2442% (0.05 0.44 0.72) = 23.244% kept HE22 GLN 102 - HB3 GLN 16 14.286% * 14.7167% (0.02 0.61 0.17) = 14.717% kept QE PHE 34 - HB3 GLN 16 14.286% * 11.2280% (0.09 0.11 0.72) = 11.228% kept HZ PHE 34 - HB3 GLN 16 14.286% * 11.2280% (0.09 0.11 0.72) = 11.228% kept HZ2 TRP 51 - HB3 GLN 16 14.286% * 1.9884% (0.09 0.02 0.02) = 1.988% kept HN VAL 47 - HB3 GLN 16 14.286% * 0.8855% (0.04 0.02 0.02) = 0.886% Not enough quality. Peak unassigned. Peak 2120 (7.33, 1.77, 31.52 ppm): 6 chemical-shift based assignments, quality = 0.22, support = 0.922, residual support = 0.762: QE PHE 34 - HB3 GLU- 18 16.667% * 26.4788% (0.26 0.90 0.39) = 26.479% kept HN ARG+ 84 - HB3 GLU- 18 16.667% * 24.0488% (0.15 1.43 1.52) = 24.049% kept QD PHE 34 - HB3 GLU- 18 16.667% * 19.0943% (0.18 0.94 0.39) = 19.094% kept HZ2 TRP 51 - HB3 GLU- 18 16.667% * 18.3846% (0.26 0.62 0.95) = 18.385% kept HZ PHE 34 - HB3 GLU- 18 16.667% * 11.6343% (0.26 0.39 0.39) = 11.634% kept HN VAL 47 - HB3 GLU- 18 16.667% * 0.3591% (0.16 0.02 0.65) = 0.359% Peak 2121 (4.79, 1.76, 31.40 ppm): 3 chemical-shift based assignments, quality = 0.299, support = 1.89, residual support = 3.67: HA LEU 23 - HB3 GLU- 18 33.333% * 57.0297% (0.34 2.31 5.70) = 57.030% kept HA ASN 15 - HB3 GLU- 18 33.333% * 26.1499% (0.32 1.11 0.33) = 26.150% kept HB THR 39 - HB3 GLU- 18 33.333% * 16.8203% (0.14 1.69 1.99) = 16.820% kept Peak 2124 (4.29, 1.77, 31.45 ppm): 13 chemical-shift based assignments, quality = 0.283, support = 0.677, residual support = 0.972: HA VAL 94 - HB3 GLU- 18 7.692% * 20.4970% (0.30 0.97 3.18) = 20.497% kept HA ARG+ 84 - HB3 GLU- 18 7.692% * 14.3393% (0.28 0.72 1.52) = 14.339% kept HA LEU 90 - HB3 GLU- 18 7.692% * 13.9276% (0.40 0.49 0.11) = 13.928% kept HA SER 85 - HB3 GLU- 18 7.692% * 10.8757% (0.28 0.55 0.74) = 10.876% kept HA ASP- 36 - HB3 GLU- 18 7.692% * 9.7672% (0.36 0.38 0.02) = 9.767% kept HA ALA 93 - HB3 GLU- 18 7.692% * 8.7738% (0.09 1.45 0.02) = 8.774% kept HD3 PRO 59 - HB3 GLU- 18 7.692% * 8.1659% (0.28 0.41 0.02) = 8.166% kept HA ILE 29 - HB3 GLU- 18 7.692% * 6.1920% (0.15 0.59 0.02) = 6.192% kept HA PRO 52 - HB3 GLU- 18 7.692% * 4.3743% (0.28 0.22 0.02) = 4.374% kept HA THR 106 - HB3 GLU- 18 7.692% * 2.4169% (0.43 0.08 0.02) = 2.417% kept HA VAL 65 - HB3 GLU- 18 7.692% * 0.3471% (0.24 0.02 0.02) = 0.347% HA GLU- 64 - HB3 GLU- 18 7.692% * 0.1704% (0.12 0.02 0.02) = 0.170% HA GLU- 75 - HB3 GLU- 18 7.692% * 0.1529% (0.11 0.02 0.02) = 0.153% Peak 2125 (4.27, 2.01, 31.57 ppm): 51 chemical-shift based assignments, quality = 0.248, support = 2.66, residual support = 8.28: O HA GLU- 75 - HB3 GLU- 75 1.961% * 77.4626% (0.26 10.0 3.22 10.58) = 77.463% kept HA ASN 76 - HB3 GLU- 75 1.961% * 3.8464% (0.17 1.0 1.57 0.10) = 3.846% kept HA VAL 94 - HB3 GLU- 75 1.961% * 3.1700% (0.28 1.0 0.78 0.51) = 3.170% kept HA LEU 90 - HB3 GLU- 75 1.961% * 2.9631% (0.21 1.0 0.94 1.95) = 2.963% kept HD3 PRO 59 - HB3 GLU- 75 1.961% * 2.3489% (0.28 1.0 0.56 0.02) = 2.349% kept HA GLU- 56 - HB3 GLU- 75 1.961% * 1.6504% (0.19 1.0 0.59 0.02) = 1.650% kept HA VAL 65 - HB3 GLU- 75 1.961% * 1.5043% (0.29 1.0 0.35 0.02) = 1.504% kept HA ALA 11 - HB3 GLU- 75 1.961% * 1.4627% (0.14 1.0 0.70 0.02) = 1.463% kept HA GLU- 64 - HB3 GLU- 75 1.961% * 1.3501% (0.27 1.0 0.34 0.02) = 1.350% kept HA LEU 90 - HB2 GLU- 18 1.961% * 1.2474% (0.11 1.0 0.74 0.11) = 1.247% kept HA PRO 59 - HB3 GLU- 75 1.961% * 0.6641% (0.08 1.0 0.55 0.02) = 0.664% HB3 SER 49 - HB3 GLU- 75 1.961% * 0.5409% (0.06 1.0 0.62 0.27) = 0.541% HA GLU- 56 - HB VAL 73 1.961% * 0.5130% (0.08 1.0 0.43 0.02) = 0.513% HA SER 85 - HB3 GLU- 75 1.961% * 0.0834% (0.28 1.0 0.02 0.13) = 0.083% HA PRO 52 - HB3 GLU- 75 1.961% * 0.0834% (0.28 1.0 0.02 0.02) = 0.083% HA ARG+ 84 - HB3 GLU- 75 1.961% * 0.0834% (0.28 1.0 0.02 0.02) = 0.083% HA GLU- 107 - HB3 GLU- 75 1.961% * 0.0524% (0.18 1.0 0.02 0.02) = 0.052% HA VAL 65 - HB2 GLU- 18 1.961% * 0.0459% (0.16 1.0 0.02 0.02) = 0.046% HD3 PRO 59 - HB2 GLU- 18 1.961% * 0.0447% (0.15 1.0 0.02 0.02) = 0.045% HA SER 85 - HB2 GLU- 18 1.961% * 0.0447% (0.15 1.0 0.02 0.74) = 0.045% HA PRO 52 - HB2 GLU- 18 1.961% * 0.0447% (0.15 1.0 0.02 0.02) = 0.045% HA ARG+ 84 - HB2 GLU- 18 1.961% * 0.0447% (0.15 1.0 0.02 1.52) = 0.045% HA VAL 94 - HB2 GLU- 18 1.961% * 0.0438% (0.15 1.0 0.02 3.18) = 0.044% HA GLU- 64 - HB2 GLU- 18 1.961% * 0.0428% (0.15 1.0 0.02 0.02) = 0.043% HA GLU- 75 - HB2 GLU- 18 1.961% * 0.0415% (0.14 1.0 0.02 0.02) = 0.042% HA VAL 65 - HB VAL 73 1.961% * 0.0367% (0.13 1.0 0.02 0.02) = 0.037% HA PRO 52 - HB VAL 73 1.961% * 0.0358% (0.12 1.0 0.02 0.02) = 0.036% HA ARG+ 84 - HB VAL 73 1.961% * 0.0358% (0.12 1.0 0.02 0.02) = 0.036% HA SER 85 - HB VAL 73 1.961% * 0.0358% (0.12 1.0 0.02 0.02) = 0.036% HD3 PRO 59 - HB VAL 73 1.961% * 0.0358% (0.12 1.0 0.02 0.02) = 0.036% HA THR 106 - HB3 GLU- 75 1.961% * 0.0355% (0.12 1.0 0.02 0.02) = 0.036% HA VAL 94 - HB VAL 73 1.961% * 0.0351% (0.12 1.0 0.02 1.15) = 0.035% HA GLU- 64 - HB VAL 73 1.961% * 0.0342% (0.12 1.0 0.02 0.02) = 0.034% HA GLU- 75 - HB VAL 73 1.961% * 0.0332% (0.11 1.0 0.02 0.02) = 0.033% HA GLU- 56 - HB2 GLU- 18 1.961% * 0.0300% (0.10 1.0 0.02 0.02) = 0.030% HA GLU- 107 - HB2 GLU- 18 1.961% * 0.0281% (0.10 1.0 0.02 0.02) = 0.028% HA LEU 90 - HB VAL 73 1.961% * 0.0269% (0.09 1.0 0.02 0.02) = 0.027% HA ASN 76 - HB2 GLU- 18 1.961% * 0.0262% (0.09 1.0 0.02 0.02) = 0.026% HA ALA 11 - HB2 GLU- 18 1.961% * 0.0225% (0.08 1.0 0.02 0.02) = 0.023% HA GLU- 107 - HB VAL 73 1.961% * 0.0225% (0.08 1.0 0.02 0.02) = 0.022% HA ASN 76 - HB VAL 73 1.961% * 0.0210% (0.07 1.0 0.02 0.02) = 0.021% HA THR 106 - HB2 GLU- 18 1.961% * 0.0190% (0.07 1.0 0.02 0.02) = 0.019% HA ALA 11 - HB VAL 73 1.961% * 0.0180% (0.06 1.0 0.02 0.02) = 0.018% HA ASP- 36 - HB3 GLU- 75 1.961% * 0.0171% (0.06 1.0 0.02 0.13) = 0.017% HA THR 106 - HB VAL 73 1.961% * 0.0152% (0.05 1.0 0.02 0.02) = 0.015% HA PRO 59 - HB2 GLU- 18 1.961% * 0.0129% (0.04 1.0 0.02 0.02) = 0.013% HA PRO 59 - HB VAL 73 1.961% * 0.0103% (0.04 1.0 0.02 0.02) = 0.010% HB3 SER 49 - HB2 GLU- 18 1.961% * 0.0093% (0.03 1.0 0.02 0.02) = 0.009% HA ASP- 36 - HB2 GLU- 18 1.961% * 0.0092% (0.03 1.0 0.02 0.02) = 0.009% HB3 SER 49 - HB VAL 73 1.961% * 0.0074% (0.03 1.0 0.02 0.02) = 0.007% HA ASP- 36 - HB VAL 73 1.961% * 0.0073% (0.03 1.0 0.02 0.02) = 0.007% 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): 5 chemical-shift based assignments, quality = 0.142, support = 0.8, residual support = 1.13: T HD3 ARG+ 84 - HB3 GLU- 18 20.000% * 62.8636% (0.17 10.00 0.89 1.52) = 62.864% kept T HA1 GLY 58 - HB3 GLU- 18 20.000% * 21.6437% (0.05 10.00 0.97 0.78) = 21.644% kept T HD2 ARG+ 53 - HB3 GLU- 18 20.000% * 11.8997% (0.16 10.00 0.18 0.02) = 11.900% kept HB3 PHE 34 - HB3 GLU- 18 20.000% * 2.1856% (0.23 1.00 0.22 0.39) = 2.186% kept HB3 HIS+ 98 - HB3 GLU- 18 20.000% * 1.4074% (0.12 1.00 0.28 0.02) = 1.407% kept Not enough quality. Peak unassigned. Peak 2129 (2.20, 1.77, 31.42 ppm): 16 chemical-shift based assignments, quality = 0.243, support = 2.8, residual support = 29.5: O HG3 GLU- 18 - HB3 GLU- 18 6.250% * 85.8352% (0.23 10.0 3.17 34.18) = 85.835% kept HG3 GLN 16 - HB3 GLU- 18 6.250% * 5.7410% (0.47 1.0 0.66 1.38) = 5.741% kept HA1 GLY 58 - HB3 GLU- 18 6.250% * 3.0094% (0.17 1.0 0.97 0.78) = 3.009% kept HB3 PRO 35 - HB3 GLU- 18 6.250% * 2.0497% (0.36 1.0 0.31 0.02) = 2.050% kept HG2 GLN 16 - HB3 GLU- 18 6.250% * 1.4302% (0.16 1.0 0.48 1.38) = 1.430% kept HB3 PRO 52 - HB3 GLU- 18 6.250% * 1.1034% (0.12 1.0 0.50 0.02) = 1.103% kept HG2 GLU- 64 - HB3 GLU- 18 6.250% * 0.1722% (0.47 1.0 0.02 0.02) = 0.172% HG3 GLU- 64 - HB3 GLU- 18 6.250% * 0.1287% (0.35 1.0 0.02 0.02) = 0.129% HG3 MET 97 - HB3 GLU- 18 6.250% * 0.1211% (0.33 1.0 0.02 0.02) = 0.121% HB2 GLU- 50 - HB3 GLU- 18 6.250% * 0.0998% (0.27 1.0 0.02 0.02) = 0.100% HB VAL 99 - HB3 GLU- 18 6.250% * 0.0725% (0.20 1.0 0.02 0.30) = 0.072% HG3 GLN 102 - HB3 GLU- 18 6.250% * 0.0662% (0.18 1.0 0.02 1.09) = 0.066% HB3 PRO 104 - HB3 GLU- 18 6.250% * 0.0662% (0.18 1.0 0.02 0.02) = 0.066% HB2 ASP- 82 - HB3 GLU- 18 6.250% * 0.0393% (0.11 1.0 0.02 0.02) = 0.039% HG2 GLN 102 - HB3 GLU- 18 6.250% * 0.0349% (0.09 1.0 0.02 1.09) = 0.035% HB3 GLU- 75 - HB3 GLU- 18 6.250% * 0.0302% (0.08 1.0 0.02 0.02) = 0.030% Peak 2130 (2.05, 1.77, 31.43 ppm): 13 chemical-shift based assignments, quality = 0.124, support = 0.674, residual support = 0.498: T HA1 GLY 58 - HB3 GLU- 18 7.692% * 61.0287% (0.07 10.00 0.97 0.78) = 61.029% kept T HB3 PRO 31 - HB3 GLU- 18 7.692% * 12.7198% (0.13 10.00 0.10 0.02) = 12.720% kept HB3 GLU- 54 - HB3 GLU- 18 7.692% * 10.2341% (0.21 1.00 0.52 0.18) = 10.234% kept T HB3 GLU- 75 - HB3 GLU- 18 7.692% * 6.0738% (0.33 10.00 0.02 0.02) = 6.074% kept HG3 PRO 86 - HB3 GLU- 18 7.692% * 4.8250% (0.46 1.00 0.11 0.02) = 4.825% kept HB3 PRO 35 - HB3 GLU- 18 7.692% * 2.1072% (0.07 1.00 0.31 0.02) = 2.107% kept HB2 GLU- 45 - HB3 GLU- 18 7.692% * 0.8560% (0.46 1.00 0.02 0.58) = 0.856% HB3 GLU- 107 - HB3 GLU- 18 7.692% * 0.6396% (0.07 1.00 0.09 0.02) = 0.640% HB3 GLU- 45 - HB3 GLU- 18 7.692% * 0.4251% (0.23 1.00 0.02 0.58) = 0.425% HB3 GLU- 10 - HB3 GLU- 18 7.692% * 0.2979% (0.16 1.00 0.02 0.02) = 0.298% HB VAL 62 - HB3 GLU- 18 7.692% * 0.2979% (0.16 1.00 0.02 0.02) = 0.298% HG3 GLU- 64 - HB3 GLU- 18 7.692% * 0.2773% (0.15 1.00 0.02 0.02) = 0.277% HB ILE 101 - HB3 GLU- 18 7.692% * 0.2178% (0.12 1.00 0.02 3.05) = 0.218% Not enough quality. Peak unassigned. Peak 2132 (1.78, 2.01, 31.43 ppm): 21 chemical-shift based assignments, quality = 0.354, support = 2.4, residual support = 32.5: O HB3 GLU- 18 - HB2 GLU- 18 4.762% * 95.0671% (0.36 10.0 1.00 2.52 34.18) = 95.067% kept HG3 ARG+ 53 - HB3 GLU- 75 4.762% * 1.2897% (0.33 1.0 1.00 0.30 0.42) = 1.290% kept HB3 LYS+ 63 - HB3 GLU- 75 4.762% * 1.2729% (0.26 1.0 1.00 0.37 0.02) = 1.273% kept T HB3 GLU- 18 - HB3 GLU- 75 4.762% * 0.6847% (0.26 1.0 10.00 0.02 0.02) = 0.685% HG3 LYS+ 63 - HB3 GLU- 75 4.762% * 0.3996% (0.34 1.0 1.00 0.09 0.02) = 0.400% T HB3 ARG+ 84 - HB3 GLU- 75 4.762% * 0.3363% (0.13 1.0 10.00 0.02 0.02) = 0.336% HG3 LYS+ 63 - HB2 GLU- 18 4.762% * 0.1244% (0.48 1.0 1.00 0.02 0.02) = 0.124% HG2 PRO 31 - HB2 GLU- 18 4.762% * 0.1241% (0.48 1.0 1.00 0.02 0.02) = 0.124% HG3 ARG+ 53 - HB2 GLU- 18 4.762% * 0.1201% (0.46 1.0 1.00 0.02 0.02) = 0.120% HB3 LYS+ 108 - HB2 GLU- 18 4.762% * 0.0951% (0.36 1.0 1.00 0.02 0.02) = 0.095% HB3 LYS+ 63 - HB2 GLU- 18 4.762% * 0.0951% (0.36 1.0 1.00 0.02 0.02) = 0.095% HG2 PRO 31 - HB3 GLU- 75 4.762% * 0.0894% (0.34 1.0 1.00 0.02 0.02) = 0.089% T HG3 LYS+ 63 - HB VAL 73 4.762% * 0.0790% (0.03 1.0 10.00 0.02 0.02) = 0.079% T HG2 PRO 31 - HB VAL 73 4.762% * 0.0788% (0.03 1.0 10.00 0.02 0.02) = 0.079% HB3 LYS+ 108 - HB3 GLU- 75 4.762% * 0.0685% (0.26 1.0 1.00 0.02 0.02) = 0.068% HB3 ARG+ 84 - HB2 GLU- 18 4.762% * 0.0467% (0.18 1.0 1.00 0.02 1.52) = 0.047% HG3 ARG+ 53 - HB VAL 73 4.762% * 0.0076% (0.03 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 108 - HB VAL 73 4.762% * 0.0060% (0.02 1.0 1.00 0.02 0.02) = 0.006% HB3 LYS+ 63 - HB VAL 73 4.762% * 0.0060% (0.02 1.0 1.00 0.02 0.02) = 0.006% HB3 GLU- 18 - HB VAL 73 4.762% * 0.0060% (0.02 1.0 1.00 0.02 0.16) = 0.006% HB3 ARG+ 84 - HB VAL 73 4.762% * 0.0030% (0.01 1.0 1.00 0.02 0.02) = 0.003% Peak 2133 (1.12, 4.36, 72.96 ppm): 4 chemical-shift based assignments, quality = 0.817, support = 3.07, residual support = 16.1: O T QG2 THR 61 - HB THR 61 25.000% * 78.9589% (0.92 10.0 10.00 3.60 20.22) = 78.959% kept T QG2 THR 79 - HB THR 61 25.000% * 20.9711% (0.45 1.0 10.00 1.09 0.48) = 20.971% kept HG3 LYS+ 32 - HB THR 61 25.000% * 0.0544% (0.63 1.0 1.00 0.02 0.55) = 0.054% QB ALA 33 - HB THR 61 25.000% * 0.0157% (0.18 1.0 1.00 0.02 0.02) = 0.016% Peak 2134 (0.96, 4.36, 72.99 ppm): 8 chemical-shift based assignments, quality = 0.591, support = 1.56, residual support = 9.99: QG2 VAL 62 - HB THR 61 12.500% * 55.1989% (0.50 2.41 18.05) = 55.199% kept QG2 VAL 99 - HB THR 61 12.500% * 22.2579% (0.88 0.55 0.02) = 22.258% kept QG2 ILE 29 - HB THR 61 12.500% * 17.1318% (0.64 0.58 0.15) = 17.132% kept QG1 VAL 105 - HB THR 61 12.500% * 2.1342% (0.22 0.21 0.02) = 2.134% kept QG2 VAL 105 - HB THR 61 12.500% * 1.6938% (0.18 0.21 0.02) = 1.694% kept QD1 LEU 17 - HB THR 61 12.500% * 0.8846% (0.20 0.10 0.02) = 0.885% QG2 VAL 73 - HB THR 61 12.500% * 0.5568% (0.61 0.02 0.02) = 0.557% HB2 ARG+ 84 - HB THR 61 12.500% * 0.1420% (0.16 0.02 0.02) = 0.142% Peak 2135 (0.83, 1.77, 31.44 ppm): 7 chemical-shift based assignments, quality = 0.397, support = 1.92, residual support = 10.2: QG1 VAL 94 - HB3 GLU- 18 14.286% * 36.4388% (0.44 2.25 3.18) = 36.439% kept QD2 LEU 17 - HB3 GLU- 18 14.286% * 32.8288% (0.36 2.51 26.99) = 32.829% kept QG1 VAL 13 - HB3 GLU- 18 14.286% * 16.7143% (0.47 0.98 0.65) = 16.714% kept QG2 VAL 13 - HB3 GLU- 18 14.286% * 10.6567% (0.28 1.03 0.65) = 10.657% kept QD2 LEU 90 - HB3 GLU- 18 14.286% * 2.8929% (0.30 0.26 0.11) = 2.893% kept QD1 ILE 29 - HB3 GLU- 18 14.286% * 0.3398% (0.47 0.02 0.02) = 0.340% QD2 LEU 67 - HB3 GLU- 18 14.286% * 0.1287% (0.18 0.02 0.02) = 0.129% Peak 2136 (0.71, 2.02, 31.69 ppm): 10 chemical-shift based assignments, quality = 0.28, support = 1.74, residual support = 2.5: HG LEU 74 - HB3 GLU- 75 10.000% * 33.2271% (0.26 2.65 5.01) = 33.227% kept QG2 ILE 101 - HB3 GLU- 75 10.000% * 30.7269% (0.36 1.81 1.65) = 30.727% kept QG2 ILE 48 - HB3 GLU- 75 10.000% * 13.3415% (0.33 0.85 1.96) = 13.341% kept QG2 VAL 94 - HB3 GLU- 75 10.000% * 9.5503% (0.15 1.34 0.51) = 9.550% kept QG2 ILE 68 - HB3 GLU- 75 10.000% * 4.8710% (0.15 0.69 0.14) = 4.871% kept QD1 ILE 68 - HB3 GLU- 75 10.000% * 3.2600% (0.10 0.68 0.14) = 3.260% kept QG2 THR 96 - HB3 GLU- 75 10.000% * 3.1593% (0.36 0.18 0.02) = 3.159% kept QG1 VAL 40 - HB3 GLU- 75 10.000% * 1.5657% (0.11 0.29 0.02) = 1.566% kept QD1 ILE 19 - HB3 GLU- 75 10.000% * 0.1683% (0.18 0.02 0.02) = 0.168% HG12 ILE 19 - HB3 GLU- 75 10.000% * 0.1298% (0.14 0.02 0.02) = 0.130% Peak 2137 (8.72, 2.49, 31.14 ppm): 3 chemical-shift based assignments, quality = 0.563, support = 3.78, residual support = 33.0: O HN VAL 40 - HB VAL 40 33.333% * 96.7965% (0.56 10.0 3.89 34.09) = 96.797% kept HN ILE 101 - HB VAL 40 33.333% * 2.3874% (0.68 1.0 0.41 0.69) = 2.387% kept HN GLU- 56 - HB VAL 40 33.333% * 0.8160% (0.72 1.0 0.13 0.02) = 0.816% Peak 2138 (8.19, 1.72, 31.20 ppm): 6 chemical-shift based assignments, quality = 0.827, support = 1.93, residual support = 3.48: HN ALA 33 - HB2 GLN 16 16.667% * 76.9078% (0.99 2.17 4.49) = 76.908% kept HN VAL 94 - HB2 GLN 16 16.667% * 14.5203% (0.25 1.64 0.19) = 14.520% kept HN ALA 11 - HB2 GLN 16 16.667% * 4.2729% (0.41 0.29 0.02) = 4.273% kept HN GLU- 45 - HB2 GLN 16 16.667% * 2.1243% (0.48 0.12 0.02) = 2.124% kept HN SER 41 - HB2 GLN 16 16.667% * 1.0989% (0.17 0.18 0.02) = 1.099% kept HN VAL 105 - HB2 GLN 16 16.667% * 1.0759% (0.27 0.11 0.02) = 1.076% kept Peak 2140 (7.33, 2.15, 31.04 ppm): 12 chemical-shift based assignments, quality = 0.831, support = 4.0, residual support = 59.0: O HN VAL 47 - HB VAL 47 8.333% * 78.9105% (0.82 10.0 4.77 74.16) = 78.911% kept QE PHE 34 - HB VAL 47 8.333% * 6.3888% (0.93 1.0 1.43 2.89) = 6.389% kept QD PHE 34 - HB VAL 47 8.333% * 6.2630% (0.88 1.0 1.48 2.89) = 6.263% kept HZ PHE 34 - HB VAL 47 8.333% * 2.8307% (0.93 1.0 0.63 2.89) = 2.831% kept HZ2 TRP 51 - HB VAL 47 8.333% * 2.0665% (0.93 1.0 0.46 2.08) = 2.066% kept HN VAL 47 - HB3 GLU- 75 8.333% * 1.6488% (0.48 1.0 0.72 0.21) = 1.649% kept HN ARG+ 84 - HB VAL 47 8.333% * 1.6437% (0.79 1.0 0.43 0.02) = 1.644% kept HZ2 TRP 51 - HB3 GLU- 75 8.333% * 0.0517% (0.54 1.0 0.02 0.02) = 0.052% QE PHE 34 - HB3 GLU- 75 8.333% * 0.0517% (0.54 1.0 0.02 0.02) = 0.052% HZ PHE 34 - HB3 GLU- 75 8.333% * 0.0517% (0.54 1.0 0.02 0.02) = 0.052% QD PHE 34 - HB3 GLU- 75 8.333% * 0.0491% (0.51 1.0 0.02 0.02) = 0.049% HN ARG+ 84 - HB3 GLU- 75 8.333% * 0.0438% (0.46 1.0 0.02 0.02) = 0.044% Peak 2141 (4.71, 1.72, 31.19 ppm): 7 chemical-shift based assignments, quality = 0.882, support = 4.26, residual support = 20.5: O HA GLN 16 - HB2 GLN 16 14.286% * 99.4917% (0.89 10.0 4.28 20.58) = 99.492% kept HA THR 61 - HB2 GLN 16 14.286% * 0.1107% (0.99 1.0 0.02 0.02) = 0.111% HA VAL 99 - HB2 GLN 16 14.286% * 0.1087% (0.97 1.0 0.02 0.02) = 0.109% HA THR 39 - HB2 GLN 16 14.286% * 0.1049% (0.94 1.0 0.02 0.02) = 0.105% HA2 GLY 30 - HB2 GLN 16 14.286% * 0.0995% (0.89 1.0 0.02 0.02) = 0.099% HA LYS+ 20 - HB2 GLN 16 14.286% * 0.0673% (0.60 1.0 0.02 0.11) = 0.067% HA ASN 89 - HB2 GLN 16 14.286% * 0.0171% (0.15 1.0 0.02 0.02) = 0.017% Peak 2142 (4.69, 1.89, 31.14 ppm): 14 chemical-shift based assignments, quality = 0.76, support = 4.24, residual support = 20.5: O HA GLN 16 - HB3 GLN 16 7.143% * 99.4963% (0.76 10.0 4.27 20.58) = 99.496% kept HA ASN 89 - HB3 GLN 16 7.143% * 0.0902% (0.69 1.0 0.02 0.02) = 0.090% HA VAL 99 - HB3 GLN 16 7.143% * 0.0804% (0.62 1.0 0.02 0.02) = 0.080% HA THR 61 - HB3 GLN 16 7.143% * 0.0605% (0.46 1.0 0.02 0.02) = 0.060% HA TYR 83 - HB3 GLN 16 7.143% * 0.0605% (0.46 1.0 0.02 0.02) = 0.060% HA THR 39 - HB3 GLN 16 7.143% * 0.0424% (0.33 1.0 0.02 0.02) = 0.042% HA2 GLY 30 - HB3 GLN 16 7.143% * 0.0345% (0.27 1.0 0.02 0.02) = 0.035% HA GLN 16 - HB3 GLU- 56 7.143% * 0.0287% (0.22 1.0 0.02 0.02) = 0.029% HA ASN 89 - HB3 GLU- 56 7.143% * 0.0261% (0.20 1.0 0.02 0.02) = 0.026% HA VAL 99 - HB3 GLU- 56 7.143% * 0.0232% (0.18 1.0 0.02 0.02) = 0.023% HA THR 61 - HB3 GLU- 56 7.143% * 0.0175% (0.13 1.0 0.02 0.02) = 0.017% HA TYR 83 - HB3 GLU- 56 7.143% * 0.0175% (0.13 1.0 0.02 0.02) = 0.017% HA THR 39 - HB3 GLU- 56 7.143% * 0.0122% (0.09 1.0 0.02 0.02) = 0.012% HA2 GLY 30 - HB3 GLU- 56 7.143% * 0.0100% (0.08 1.0 0.02 0.02) = 0.010% Peak 2143 (4.26, 2.48, 31.16 ppm): 22 chemical-shift based assignments, quality = 0.678, support = 0.393, residual support = 0.132: HA ASN 76 - HB VAL 40 4.545% * 35.0168% (0.89 0.57 0.32) = 35.017% kept HA ALA 42 - HB VAL 40 4.545% * 12.3421% (0.20 0.90 0.02) = 12.342% kept HA GLU- 75 - HB VAL 40 4.545% * 11.1974% (0.98 0.16 0.02) = 11.197% kept HA PRO 59 - HB VAL 40 4.545% * 11.0590% (0.60 0.26 0.02) = 11.059% kept HD3 PRO 59 - HB VAL 40 4.545% * 6.6364% (0.68 0.14 0.02) = 6.636% kept HA SER 85 - HB VAL 40 4.545% * 5.2644% (0.68 0.11 0.02) = 5.264% kept HA ARG+ 84 - HB VAL 40 4.545% * 3.9158% (0.68 0.08 0.12) = 3.916% kept HA GLU- 18 - HB VAL 40 4.545% * 3.8761% (0.13 0.41 0.11) = 3.876% kept HA GLU- 64 - HB VAL 40 4.545% * 1.3537% (0.97 0.02 0.02) = 1.354% kept HA GLU- 56 - HB VAL 40 4.545% * 1.3064% (0.94 0.02 0.02) = 1.306% kept HA GLU- 107 - HB VAL 40 4.545% * 1.2748% (0.91 0.02 0.02) = 1.275% kept HA ALA 11 - HB VAL 40 4.545% * 1.1535% (0.83 0.02 0.02) = 1.154% kept HA VAL 65 - HB VAL 40 4.545% * 1.0554% (0.76 0.02 0.02) = 1.055% kept HA PRO 52 - HB VAL 40 4.545% * 0.9486% (0.68 0.02 0.02) = 0.949% HA VAL 94 - HB VAL 40 4.545% * 0.8934% (0.64 0.02 0.02) = 0.893% HA LEU 90 - HB VAL 40 4.545% * 0.5183% (0.37 0.02 0.02) = 0.518% HA GLU- 10 - HB VAL 40 4.545% * 0.4711% (0.34 0.02 0.02) = 0.471% HA LYS+ 108 - HB VAL 40 4.545% * 0.4711% (0.34 0.02 0.02) = 0.471% HA GLU- 54 - HB VAL 40 4.545% * 0.4711% (0.34 0.02 0.02) = 0.471% HB3 SER 49 - HB VAL 40 4.545% * 0.3486% (0.25 0.02 0.02) = 0.349% HA SER 49 - HB VAL 40 4.545% * 0.2131% (0.15 0.02 0.02) = 0.213% HA THR 106 - HB VAL 40 4.545% * 0.2131% (0.15 0.02 0.02) = 0.213% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 2144 (2.21, 1.74, 31.32 ppm): 26 chemical-shift based assignments, quality = 0.318, support = 3.24, residual support = 21.9: O HG3 GLN 16 - HB2 GLN 16 3.846% * 65.0542% (0.39 10.0 3.65 20.58) = 65.054% kept O HG3 GLU- 18 - HB3 GLU- 18 3.846% * 24.6918% (0.15 10.0 3.17 34.18) = 24.692% kept HG3 GLU- 18 - HB2 GLN 16 3.846% * 3.1692% (0.43 1.0 0.88 1.38) = 3.169% kept HA1 GLY 58 - HB2 GLN 16 3.846% * 2.3612% (0.17 1.0 1.63 0.02) = 2.361% kept HG3 GLN 102 - HB2 GLN 16 3.846% * 2.1278% (0.39 1.0 0.65 0.17) = 2.128% kept HG3 GLN 16 - HB3 GLU- 18 3.846% * 0.7421% (0.13 1.0 0.66 1.38) = 0.742% HA1 GLY 58 - HB3 GLU- 18 3.846% * 0.4832% (0.06 1.0 0.97 0.78) = 0.483% HB3 PRO 52 - HB3 GLU- 18 3.846% * 0.4611% (0.11 1.0 0.50 0.02) = 0.461% HB3 PRO 35 - HB3 GLU- 18 3.846% * 0.3316% (0.13 1.0 0.31 0.02) = 0.332% HG3 MET 97 - HB2 GLN 16 3.846% * 0.0777% (0.47 1.0 0.02 0.17) = 0.078% HB2 GLU- 50 - HB2 GLN 16 3.846% * 0.0752% (0.45 1.0 0.02 0.02) = 0.075% HG2 GLU- 64 - HB2 GLN 16 3.846% * 0.0718% (0.43 1.0 0.02 0.02) = 0.072% HB3 PRO 35 - HB2 GLN 16 3.846% * 0.0617% (0.37 1.0 0.02 0.02) = 0.062% HB3 PRO 52 - HB2 GLN 16 3.846% * 0.0535% (0.32 1.0 0.02 0.02) = 0.053% HG3 GLU- 64 - HB2 GLN 16 3.846% * 0.0486% (0.29 1.0 0.02 0.02) = 0.049% HG3 MET 97 - HB3 GLU- 18 3.846% * 0.0267% (0.16 1.0 0.02 0.02) = 0.027% HB2 GLU- 50 - HB3 GLU- 18 3.846% * 0.0258% (0.16 1.0 0.02 0.02) = 0.026% HG2 GLU- 64 - HB3 GLU- 18 3.846% * 0.0247% (0.15 1.0 0.02 0.02) = 0.025% HG3 GLN 102 - HB3 GLU- 18 3.846% * 0.0223% (0.13 1.0 0.02 1.09) = 0.022% HG3 GLU- 56 - HB2 GLN 16 3.846% * 0.0217% (0.13 1.0 0.02 0.02) = 0.022% HG3 GLU- 10 - HB2 GLN 16 3.846% * 0.0173% (0.10 1.0 0.02 0.02) = 0.017% HG3 GLU- 64 - HB3 GLU- 18 3.846% * 0.0167% (0.10 1.0 0.02 0.02) = 0.017% HG2 GLU- 56 - HB2 GLN 16 3.846% * 0.0154% (0.09 1.0 0.02 0.02) = 0.015% HG3 GLU- 56 - HB3 GLU- 18 3.846% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% HG3 GLU- 10 - HB3 GLU- 18 3.846% * 0.0060% (0.04 1.0 0.02 0.02) = 0.006% HG2 GLU- 56 - HB3 GLU- 18 3.846% * 0.0053% (0.03 1.0 0.02 0.02) = 0.005% Peak 2145 (1.77, 1.76, 31.32 ppm): 1 diagonal assignment: HB3 GLU- 18 - HB3 GLU- 18 (0.68) kept Peak 2146 (1.75, 1.88, 31.12 ppm): 5 chemical-shift based assignments, quality = 0.72, support = 3.17, residual support = 16.3: HB2 LEU 17 - HB3 GLN 16 20.000% * 76.3225% (0.79 3.83 21.02) = 76.323% kept HB3 LEU 23 - HB3 GLN 16 20.000% * 12.6337% (0.68 0.73 0.92) = 12.634% kept HB3 GLU- 18 - HB3 GLN 16 20.000% * 10.6843% (0.30 1.43 1.38) = 10.684% kept HB ILE 48 - HB3 GLN 16 20.000% * 0.2897% (0.57 0.02 0.02) = 0.290% HG3 ARG+ 53 - HB3 GLN 16 20.000% * 0.0699% (0.14 0.02 0.02) = 0.070% 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 = 0.0963, support = 0.858, residual support = 0.745: QG2 THR 24 - HB2 GLN 16 12.500% * 60.8490% (0.07 1.26 1.21) = 60.849% kept QG2 THR 24 - HB3 GLU- 18 12.500% * 16.6588% (0.05 0.49 0.02) = 16.659% kept HD3 LYS+ 108 - HB3 GLU- 18 12.500% * 8.2373% (0.13 0.09 0.02) = 8.237% kept HG3 LYS+ 72 - HB2 GLN 16 12.500% * 3.7969% (0.29 0.02 0.02) = 3.797% kept HB2 LYS+ 72 - HB2 GLN 16 12.500% * 3.1294% (0.24 0.02 0.02) = 3.129% kept HG3 LYS+ 72 - HB3 GLU- 18 12.500% * 2.6589% (0.20 0.02 0.02) = 2.659% kept HD3 LYS+ 108 - HB2 GLN 16 12.500% * 2.4782% (0.19 0.02 0.02) = 2.478% kept HB2 LYS+ 72 - HB3 GLU- 18 12.500% * 2.1915% (0.17 0.02 0.02) = 2.192% kept Not enough quality. Peak unassigned. Peak 2149 (1.15, 1.72, 31.21 ppm): 6 chemical-shift based assignments, quality = 0.901, support = 1.74, residual support = 4.22: T QB ALA 33 - HB2 GLN 16 16.667% * 93.7106% (0.93 10.00 1.80 4.49) = 93.711% kept HG3 LYS+ 32 - HB2 GLN 16 16.667% * 3.2897% (0.53 1.00 1.11 0.22) = 3.290% kept HG3 PRO 59 - HB2 GLN 16 16.667% * 1.5069% (0.64 1.00 0.42 0.02) = 1.507% kept QG2 THR 106 - HB2 GLN 16 16.667% * 1.2009% (0.32 1.00 0.67 0.52) = 1.201% kept HB2 LEU 43 - HB2 GLN 16 16.667% * 0.2777% (0.42 1.00 0.12 0.02) = 0.278% QG2 THR 61 - HB2 GLN 16 16.667% * 0.0142% (0.13 1.00 0.02 0.02) = 0.014% Peak 2150 (0.90, 2.48, 31.14 ppm): 7 chemical-shift based assignments, quality = 0.947, support = 3.33, residual support = 33.3: O QG2 VAL 40 - HB VAL 40 14.286% * 97.7940% (0.96 10.0 3.40 34.09) = 97.794% kept QG1 VAL 80 - HB VAL 40 14.286% * 1.2526% (0.74 1.0 0.33 0.02) = 1.253% kept QG2 VAL 87 - HB VAL 40 14.286% * 0.6917% (0.96 1.0 0.14 0.02) = 0.692% QG1 VAL 47 - HB VAL 40 14.286% * 0.0987% (0.97 1.0 0.02 0.02) = 0.099% QD1 LEU 67 - HB VAL 40 14.286% * 0.0978% (0.96 1.0 0.02 0.02) = 0.098% QG2 VAL 80 - HB VAL 40 14.286% * 0.0406% (0.40 1.0 0.02 0.02) = 0.041% HG12 ILE 68 - HB VAL 40 14.286% * 0.0246% (0.24 1.0 0.02 0.02) = 0.025% Peak 2151 (0.73, 2.48, 31.15 ppm): 8 chemical-shift based assignments, quality = 0.921, support = 3.71, residual support = 32.7: O QG1 VAL 40 - HB VAL 40 12.500% * 95.7748% (0.94 10.0 3.85 34.09) = 95.775% kept QG2 ILE 48 - HB VAL 40 12.500% * 1.9931% (0.61 1.0 0.64 0.19) = 1.993% kept QG2 ILE 101 - HB VAL 40 12.500% * 1.7560% (0.43 1.0 0.80 0.69) = 1.756% kept HG LEU 74 - HB VAL 40 12.500% * 0.2417% (0.56 1.0 0.08 0.02) = 0.242% QD1 ILE 68 - HB VAL 40 12.500% * 0.0977% (0.96 1.0 0.02 0.02) = 0.098% HG3 LYS+ 66 - HB VAL 40 12.500% * 0.0958% (0.94 1.0 0.02 0.02) = 0.096% HG3 LYS+ 44 - HB VAL 40 12.500% * 0.0252% (0.25 1.0 0.02 0.38) = 0.025% QG2 THR 96 - HB VAL 40 12.500% * 0.0156% (0.15 1.0 0.02 0.02) = 0.016% Peak 2153 (8.92, 1.90, 30.88 ppm): 20 chemical-shift based assignments, quality = 0.366, support = 3.94, residual support = 28.5: O HN GLN 102 - HB3 GLN 102 5.000% * 98.9598% (0.37 10.0 3.98 28.85) = 98.960% kept HN THR 96 - HB3 GLN 102 5.000% * 0.3198% (0.32 1.0 0.08 0.02) = 0.320% HN ARG+ 22 - HB3 GLN 102 5.000% * 0.3091% (0.26 1.0 0.09 0.02) = 0.309% HN PHE 21 - HB3 GLN 102 5.000% * 0.1065% (0.40 1.0 0.02 0.02) = 0.106% HN PHE 21 - HB3 GLN 16 5.000% * 0.0343% (0.13 1.0 0.02 0.02) = 0.034% HN GLN 102 - HB3 GLN 16 5.000% * 0.0318% (0.12 1.0 0.02 0.17) = 0.032% HN THR 96 - HB3 GLN 16 5.000% * 0.0271% (0.10 1.0 0.02 0.02) = 0.027% HN PHE 21 - HB3 GLU- 56 5.000% * 0.0268% (0.10 1.0 0.02 0.02) = 0.027% HN GLN 102 - HB3 GLU- 56 5.000% * 0.0249% (0.09 1.0 0.02 0.02) = 0.025% HN ARG+ 22 - HB3 GLN 16 5.000% * 0.0227% (0.08 1.0 0.02 0.02) = 0.023% HN PHE 21 - HB2 GLU- 75 5.000% * 0.0212% (0.08 1.0 0.02 0.02) = 0.021% HN THR 96 - HB3 GLU- 56 5.000% * 0.0212% (0.08 1.0 0.02 0.02) = 0.021% HN GLN 102 - HB2 GLU- 75 5.000% * 0.0197% (0.07 1.0 0.02 0.66) = 0.020% HN ARG+ 22 - HB3 GLU- 56 5.000% * 0.0177% (0.07 1.0 0.02 0.02) = 0.018% HN THR 96 - HB2 GLU- 75 5.000% * 0.0168% (0.06 1.0 0.02 0.02) = 0.017% HN ARG+ 22 - HB2 GLU- 75 5.000% * 0.0141% (0.05 1.0 0.02 0.02) = 0.014% HN PHE 21 - HB2 GLU- 10 5.000% * 0.0078% (0.03 1.0 0.02 0.02) = 0.008% HN GLN 102 - HB2 GLU- 10 5.000% * 0.0073% (0.03 1.0 0.02 0.02) = 0.007% HN THR 96 - HB2 GLU- 10 5.000% * 0.0062% (0.02 1.0 0.02 0.02) = 0.006% HN ARG+ 22 - HB2 GLU- 10 5.000% * 0.0052% (0.02 1.0 0.02 0.02) = 0.005% Peak 2154 (8.78, 2.11, 30.80 ppm): 8 chemical-shift based assignments, quality = 0.534, support = 0.592, residual support = 0.224: HN THR 95 - HB3 GLU- 75 12.500% * 42.4805% (0.67 0.67 0.21) = 42.480% kept HN SER 69 - HB3 GLU- 75 12.500% * 30.4916% (0.61 0.53 0.37) = 30.492% kept HN VAL 62 - HB3 GLU- 75 12.500% * 16.6975% (0.23 0.76 0.12) = 16.698% kept HN PHE 34 - HB3 GLU- 75 12.500% * 5.7027% (0.36 0.17 0.02) = 5.703% kept HN THR 95 - HB VAL 47 12.500% * 2.0972% (0.08 0.28 0.02) = 2.097% kept HN SER 69 - HB VAL 47 12.500% * 1.9524% (0.07 0.29 0.02) = 1.952% kept HN PHE 34 - HB VAL 47 12.500% * 0.5264% (0.04 0.13 2.89) = 0.526% HN VAL 62 - HB VAL 47 12.500% * 0.0518% (0.03 0.02 0.02) = 0.052% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 2155 (8.77, 1.98, 30.81 ppm): 12 chemical-shift based assignments, quality = 0.0887, support = 0.839, residual support = 0.231: HN SER 69 - HB2 GLU- 75 8.333% * 34.4395% (0.10 0.80 0.37) = 34.439% kept HN THR 95 - HB2 GLU- 75 8.333% * 24.0194% (0.14 0.42 0.21) = 24.019% kept HN THR 95 - HB2 GLU- 18 8.333% * 23.0380% (0.03 1.83 0.12) = 23.038% kept HN PHE 34 - HB2 GLU- 75 8.333% * 7.6845% (0.14 0.13 0.02) = 7.684% kept HN PHE 34 - HB2 GLU- 18 8.333% * 5.9386% (0.03 0.45 0.39) = 5.939% kept HN VAL 62 - HB2 GLU- 18 8.333% * 1.6764% (0.02 0.17 0.02) = 1.676% kept HN VAL 62 - HB2 GLU- 75 8.333% * 0.9197% (0.11 0.02 0.12) = 0.920% HN PHE 34 - HB2 HIS+ 14 8.333% * 0.6052% (0.07 0.02 0.02) = 0.605% HN THR 95 - HB2 HIS+ 14 8.333% * 0.5802% (0.07 0.02 0.02) = 0.580% HN VAL 62 - HB2 HIS+ 14 8.333% * 0.4687% (0.06 0.02 0.02) = 0.469% HN SER 69 - HB2 HIS+ 14 8.333% * 0.4395% (0.05 0.02 0.02) = 0.439% HN SER 69 - HB2 GLU- 18 8.333% * 0.1903% (0.02 0.02 0.02) = 0.190% Not enough quality. Peak unassigned. Peak 2157 (4.47, 1.90, 30.85 ppm): 30 chemical-shift based assignments, quality = 0.747, support = 2.92, residual support = 27.3: O HA GLN 102 - HB3 GLN 102 3.333% * 94.5441% (0.75 10.0 3.03 28.85) = 94.544% kept HA ILE 100 - HB3 GLN 102 3.333% * 4.9978% (0.75 1.0 1.06 0.13) = 4.998% kept HA LYS+ 32 - HB3 GLN 102 3.333% * 0.0865% (0.69 1.0 0.02 1.55) = 0.087% HA GLU- 50 - HB3 GLN 102 3.333% * 0.0507% (0.40 1.0 0.02 0.02) = 0.051% HA SER 77 - HB3 GLN 102 3.333% * 0.0397% (0.31 1.0 0.02 0.02) = 0.040% HA ILE 100 - HB3 GLN 16 3.333% * 0.0234% (0.19 1.0 0.02 0.02) = 0.023% HA GLN 102 - HB3 GLN 16 3.333% * 0.0234% (0.19 1.0 0.02 0.17) = 0.023% HA LYS+ 32 - HB3 GLN 16 3.333% * 0.0214% (0.17 1.0 0.02 0.22) = 0.021% HA ILE 100 - HB3 GLU- 56 3.333% * 0.0179% (0.14 1.0 0.02 0.02) = 0.018% HA GLN 102 - HB3 GLU- 56 3.333% * 0.0179% (0.14 1.0 0.02 0.02) = 0.018% HA ILE 100 - HB2 GLU- 75 3.333% * 0.0169% (0.13 1.0 0.02 0.02) = 0.017% HA GLN 102 - HB2 GLU- 75 3.333% * 0.0169% (0.13 1.0 0.02 0.66) = 0.017% HA LYS+ 32 - HB3 GLU- 56 3.333% * 0.0164% (0.13 1.0 0.02 0.02) = 0.016% HA LYS+ 32 - HB2 GLU- 75 3.333% * 0.0155% (0.12 1.0 0.02 0.02) = 0.015% HB THR 79 - HB3 GLN 102 3.333% * 0.0149% (0.12 1.0 0.02 0.02) = 0.015% HA GLU- 50 - HB3 GLN 16 3.333% * 0.0125% (0.10 1.0 0.02 0.02) = 0.013% HA SER 77 - HB3 GLN 16 3.333% * 0.0098% (0.08 1.0 0.02 0.02) = 0.010% HA GLU- 50 - HB3 GLU- 56 3.333% * 0.0096% (0.08 1.0 0.02 0.02) = 0.010% HA GLU- 50 - HB2 GLU- 75 3.333% * 0.0091% (0.07 1.0 0.02 0.02) = 0.009% HA ILE 100 - HB2 GLU- 10 3.333% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HA GLN 102 - HB2 GLU- 10 3.333% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HA SER 77 - HB3 GLU- 56 3.333% * 0.0075% (0.06 1.0 0.02 0.02) = 0.008% HA LYS+ 32 - HB2 GLU- 10 3.333% * 0.0072% (0.06 1.0 0.02 0.02) = 0.007% HA SER 77 - HB2 GLU- 75 3.333% * 0.0071% (0.06 1.0 0.02 0.02) = 0.007% HA GLU- 50 - HB2 GLU- 10 3.333% * 0.0042% (0.03 1.0 0.02 0.02) = 0.004% HB THR 79 - HB3 GLN 16 3.333% * 0.0037% (0.03 1.0 0.02 0.02) = 0.004% HA SER 77 - HB2 GLU- 10 3.333% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% HB THR 79 - HB3 GLU- 56 3.333% * 0.0028% (0.02 1.0 0.02 0.14) = 0.003% HB THR 79 - HB2 GLU- 75 3.333% * 0.0027% (0.02 1.0 0.02 0.02) = 0.003% HB THR 79 - HB2 GLU- 10 3.333% * 0.0012% (0.01 1.0 0.02 0.02) = 0.001% Peak 2159 (2.33, 2.11, 30.73 ppm): 10 chemical-shift based assignments, quality = 0.58, support = 1.13, residual support = 2.45: T HB3 PRO 35 - HB3 GLU- 75 10.000% * 89.6650% (0.61 10.00 1.14 2.60) = 89.665% kept HA1 GLY 58 - HB3 GLU- 75 10.000% * 5.5131% (0.37 1.00 1.16 0.59) = 5.513% kept HB3 PRO 86 - HB3 GLU- 75 10.000% * 4.0034% (0.30 1.00 1.03 1.98) = 4.003% kept HB2 TYR 83 - HB3 GLU- 75 10.000% * 0.6174% (0.61 1.00 0.08 0.02) = 0.617% HG3 GLU- 50 - HB3 GLU- 75 10.000% * 0.1637% (0.11 1.00 0.12 0.02) = 0.164% HB3 PRO 35 - HB VAL 47 10.000% * 0.0114% (0.04 1.00 0.02 0.02) = 0.011% HB2 TYR 83 - HB VAL 47 10.000% * 0.0114% (0.04 1.00 0.02 0.53) = 0.011% HA1 GLY 58 - HB VAL 47 10.000% * 0.0069% (0.03 1.00 0.02 0.02) = 0.007% HB3 PRO 86 - HB VAL 47 10.000% * 0.0057% (0.02 1.00 0.02 0.02) = 0.006% HG3 GLU- 50 - HB VAL 47 10.000% * 0.0020% (0.01 1.00 0.02 0.02) = 0.002% Peak 2161 (2.12, 2.12, 30.82 ppm): 2 diagonal assignments: HB3 GLU- 75 - HB3 GLU- 75 (0.59) kept HB VAL 47 - HB VAL 47 (0.02) kept Peak 2162 (2.01, 2.11, 30.76 ppm): 1 diagonal assignment: HB3 GLU- 75 - HB3 GLU- 75 (0.25) kept 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): 7 chemical-shift based assignments, quality = 0.416, support = 0.659, residual support = 0.179: T HG2 PRO 59 - HB3 ARG+ 22 14.286% * 76.7103% (0.42 10.00 0.79 0.15) = 76.710% kept T HG3 LYS+ 60 - HB3 ARG+ 22 14.286% * 21.3481% (0.42 10.00 0.22 0.31) = 21.348% kept QB ALA 70 - HB3 ARG+ 22 14.286% * 1.2303% (0.33 1.00 0.16 0.02) = 1.230% kept HB3 LEU 67 - HB3 ARG+ 22 14.286% * 0.2652% (0.58 1.00 0.02 0.13) = 0.265% HG13 ILE 48 - HB3 ARG+ 22 14.286% * 0.2384% (0.52 1.00 0.02 0.02) = 0.238% HB3 LYS+ 44 - HB3 ARG+ 22 14.286% * 0.1612% (0.35 1.00 0.02 0.02) = 0.161% HG LEU 90 - HB3 ARG+ 22 14.286% * 0.0465% (0.10 1.00 0.02 0.02) = 0.047% Peak 2167 (1.24, 1.33, 30.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2168 (1.24, 1.22, 30.87 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): 16 chemical-shift based assignments, quality = 0.876, support = 3.45, residual support = 62.0: O QG1 VAL 47 - HB VAL 47 6.250% * 83.4211% (0.94 10.0 3.93 74.16) = 83.421% kept QD1 LEU 67 - HB3 GLU- 75 6.250% * 4.7448% (0.60 1.0 1.80 1.73) = 4.745% kept QD1 LEU 67 - HB VAL 47 6.250% * 4.5242% (0.95 1.0 1.08 0.61) = 4.524% kept QG1 VAL 47 - HB3 GLU- 75 6.250% * 2.6591% (0.59 1.0 1.02 0.21) = 2.659% kept HG12 ILE 68 - HB3 GLU- 75 6.250% * 1.2137% (0.18 1.0 1.49 0.14) = 1.214% kept QG2 VAL 87 - HB3 GLU- 75 6.250% * 0.9938% (0.58 1.0 0.39 0.02) = 0.994% QG2 VAL 40 - HB3 GLU- 75 6.250% * 0.9203% (0.58 1.0 0.36 0.02) = 0.920% QG1 VAL 80 - HB VAL 47 6.250% * 0.9030% (0.65 1.0 0.31 0.02) = 0.903% QG2 VAL 80 - HB3 GLU- 75 6.250% * 0.3089% (0.29 1.0 0.24 0.02) = 0.309% QG2 VAL 87 - HB VAL 47 6.250% * 0.0812% (0.92 1.0 0.02 0.02) = 0.081% QG2 VAL 40 - HB VAL 47 6.250% * 0.0812% (0.92 1.0 0.02 0.02) = 0.081% QG2 VAL 80 - HB VAL 47 6.250% * 0.0410% (0.46 1.0 0.02 0.02) = 0.041% QG1 VAL 80 - HB3 GLU- 75 6.250% * 0.0363% (0.41 1.0 0.02 0.02) = 0.036% HB2 ARG+ 84 - HB3 GLU- 75 6.250% * 0.0321% (0.09 1.0 0.08 0.02) = 0.032% HG12 ILE 68 - HB VAL 47 6.250% * 0.0260% (0.29 1.0 0.02 0.02) = 0.026% HB2 ARG+ 84 - HB VAL 47 6.250% * 0.0130% (0.15 1.0 0.02 0.02) = 0.013% Peak 2170 (0.74, 2.15, 31.03 ppm): 14 chemical-shift based assignments, quality = 0.489, support = 2.7, residual support = 11.1: QG2 ILE 48 - HB VAL 47 7.143% * 44.6743% (0.57 4.51 22.57) = 44.674% kept HG LEU 74 - HB3 GLU- 75 7.143% * 13.0840% (0.28 2.65 5.01) = 13.084% kept QG2 ILE 101 - HB3 GLU- 75 7.143% * 7.1738% (0.23 1.81 1.65) = 7.174% kept QD1 ILE 68 - HB3 GLU- 75 7.143% * 6.3583% (0.54 0.68 0.14) = 6.358% kept HG3 LYS+ 66 - HB VAL 47 7.143% * 6.3239% (0.94 0.39 0.02) = 6.324% kept HG3 LYS+ 44 - HB VAL 47 7.143% * 5.4396% (0.30 1.06 2.93) = 5.440% kept QG2 ILE 48 - HB3 GLU- 75 7.143% * 5.1413% (0.35 0.85 1.96) = 5.141% kept HG3 LYS+ 66 - HB3 GLU- 75 7.143% * 4.6628% (0.57 0.47 0.02) = 4.663% kept QG1 VAL 40 - HB3 GLU- 75 7.143% * 2.6725% (0.52 0.29 0.02) = 2.673% kept HG3 LYS+ 44 - HB3 GLU- 75 7.143% * 1.9082% (0.18 0.61 0.58) = 1.908% kept QG1 VAL 40 - HB VAL 47 7.143% * 1.1303% (0.86 0.08 0.02) = 1.130% kept QG2 ILE 101 - HB VAL 47 7.143% * 0.9610% (0.37 0.15 0.02) = 0.961% QD1 ILE 68 - HB VAL 47 7.143% * 0.3077% (0.88 0.02 0.02) = 0.308% HG LEU 74 - HB VAL 47 7.143% * 0.1622% (0.47 0.02 0.02) = 0.162% Peak 2171 (0.11, 2.15, 31.01 ppm): 2 chemical-shift based assignments, quality = 0.884, support = 3.14, residual support = 62.3: O T QG2 VAL 47 - HB VAL 47 50.000% * 83.9968% (0.95 10.0 10.00 3.62 74.16) = 83.997% kept T QG2 VAL 47 - HB3 GLU- 75 50.000% * 16.0032% (0.56 1.0 10.00 0.64 0.21) = 16.003% kept Peak 2172 (8.39, 2.01, 30.52 ppm): 8 chemical-shift based assignments, quality = 0.197, support = 2.96, residual support = 8.01: HN LYS+ 108 - HB3 GLU- 107 12.500% * 94.5696% (0.19 3.13 8.47) = 94.570% kept HN GLY 71 - HB2 HIS+ 14 12.500% * 1.5267% (0.48 0.02 0.02) = 1.527% kept HN GLY 71 - HB3 GLU- 107 12.500% * 1.3209% (0.42 0.02 0.02) = 1.321% kept HN GLY 71 - HB3 GLU- 10 12.500% * 1.0577% (0.33 0.02 0.02) = 1.058% kept HN LYS+ 108 - HB2 HIS+ 14 12.500% * 0.6983% (0.22 0.02 0.02) = 0.698% HN LYS+ 108 - HB3 GLU- 10 12.500% * 0.4838% (0.15 0.02 0.02) = 0.484% HN GLY 71 - HB3 GLU- 75 12.500% * 0.2353% (0.07 0.02 0.02) = 0.235% HN LYS+ 108 - HB3 GLU- 75 12.500% * 0.1076% (0.03 0.02 0.02) = 0.108% Peak 2173 (8.29, 1.93, 30.53 ppm): 25 chemical-shift based assignments, quality = 0.415, support = 0.354, residual support = 0.0186: HN ALA 91 - HB2 GLU- 75 4.000% * 40.9954% (0.36 0.68 0.02) = 40.995% kept HN ALA 91 - HB2 GLU- 10 4.000% * 14.4381% (0.78 0.11 0.02) = 14.438% kept HN ASP- 28 - HB2 GLU- 75 4.000% * 12.2889% (0.45 0.16 0.02) = 12.289% kept HN ASN 89 - HB2 GLU- 75 4.000% * 11.4621% (0.33 0.21 0.02) = 11.462% kept HN ASP- 28 - HB3 ARG+ 53 4.000% * 4.1058% (0.10 0.24 0.02) = 4.106% kept HN ASP- 28 - HB2 GLU- 10 4.000% * 3.1789% (0.96 0.02 0.02) = 3.179% kept HN ASN 89 - HB2 GLU- 10 4.000% * 2.3290% (0.71 0.02 0.02) = 2.329% kept HN VAL 99 - HB3 GLN 102 4.000% * 2.0314% (0.09 0.14 0.02) = 2.031% kept HN ASP- 28 - HD3 LYS+ 63 4.000% * 1.0303% (0.31 0.02 0.02) = 1.030% kept HN ASP- 28 - HB3 GLN 102 4.000% * 1.0036% (0.30 0.02 0.02) = 1.004% kept HN VAL 99 - HB2 GLU- 10 4.000% * 0.8917% (0.27 0.02 0.02) = 0.892% HN ALA 91 - HD3 LYS+ 63 4.000% * 0.8324% (0.25 0.02 0.02) = 0.832% HN ALA 91 - HB3 GLN 102 4.000% * 0.8108% (0.25 0.02 0.02) = 0.811% HN GLN 16 - HB2 GLU- 10 4.000% * 0.7997% (0.24 0.02 0.02) = 0.800% HN ASN 89 - HD3 LYS+ 63 4.000% * 0.7549% (0.23 0.02 0.02) = 0.755% HN ASN 89 - HB3 GLN 102 4.000% * 0.7353% (0.22 0.02 0.02) = 0.735% HN VAL 99 - HB2 GLU- 75 4.000% * 0.4183% (0.13 0.02 0.02) = 0.418% HN GLN 16 - HB2 GLU- 75 4.000% * 0.3751% (0.11 0.02 0.02) = 0.375% HN VAL 99 - HD3 LYS+ 63 4.000% * 0.2890% (0.09 0.02 0.02) = 0.289% HN ALA 91 - HB3 ARG+ 53 4.000% * 0.2797% (0.08 0.02 0.02) = 0.280% HN GLN 16 - HD3 LYS+ 63 4.000% * 0.2592% (0.08 0.02 0.02) = 0.259% HN ASN 89 - HB3 ARG+ 53 4.000% * 0.2537% (0.08 0.02 0.02) = 0.254% HN GLN 16 - HB3 GLN 102 4.000% * 0.2525% (0.08 0.02 0.17) = 0.252% HN VAL 99 - HB3 ARG+ 53 4.000% * 0.0971% (0.03 0.02 0.02) = 0.097% HN GLN 16 - HB3 ARG+ 53 4.000% * 0.0871% (0.03 0.02 0.02) = 0.087% Not enough total support, support cutoff is 0.60 Peak unassigned. 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 0.30 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 = 0.0407, support = 1.41, residual support = 4.98: HA ASN 15 - HB3 HIS+ 14 50.000% * 98.9237% (0.04 1.42 5.03) = 98.924% kept HA LYS+ 20 - HB3 HIS+ 14 50.000% * 1.0763% (0.03 0.02 0.02) = 1.076% kept Peak 2178 (4.58, 3.03, 30.52 ppm): 5 chemical-shift based assignments, quality = 0.713, support = 0.02, residual support = 0.02: HA LYS+ 78 - HB3 HIS+ 14 20.000% * 33.8577% (0.91 0.02 0.02) = 33.858% kept HA LYS+ 72 - HB3 HIS+ 14 20.000% * 32.8935% (0.89 0.02 0.02) = 32.894% kept HA LYS+ 55 - HB3 HIS+ 14 20.000% * 15.0786% (0.41 0.02 0.02) = 15.079% kept HA ASP- 25 - HB3 HIS+ 14 20.000% * 12.5110% (0.34 0.02 0.02) = 12.511% kept HA LEU 17 - HB3 HIS+ 14 20.000% * 5.6592% (0.15 0.02 0.02) = 5.659% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2179 (4.27, 2.11, 30.73 ppm): 40 chemical-shift based assignments, quality = 0.561, support = 2.73, residual support = 8.53: O HA GLU- 75 - HB3 GLU- 75 2.500% * 79.9009% (0.59 10.0 3.22 10.58) = 79.901% kept HA ASN 76 - HB3 GLU- 75 2.500% * 4.2979% (0.41 1.0 1.57 0.10) = 4.298% kept HA VAL 94 - HB3 GLU- 75 2.500% * 2.9389% (0.56 1.0 0.78 0.51) = 2.939% kept HA LEU 90 - HB3 GLU- 75 2.500% * 2.5814% (0.41 1.0 0.94 1.95) = 2.581% kept HD3 PRO 59 - HB3 GLU- 75 2.500% * 2.1972% (0.58 1.0 0.56 0.02) = 2.197% kept HA GLU- 56 - HB3 GLU- 75 2.500% * 1.8116% (0.45 1.0 0.59 0.02) = 1.812% kept HA ALA 11 - HB3 GLU- 75 2.500% * 1.6638% (0.35 1.0 0.70 0.02) = 1.664% kept HA VAL 65 - HB3 GLU- 75 2.500% * 1.4324% (0.60 1.0 0.35 0.02) = 1.432% kept HA GLU- 64 - HB3 GLU- 75 2.500% * 1.3803% (0.60 1.0 0.34 0.02) = 1.380% kept HA PRO 59 - HB3 GLU- 75 2.500% * 0.7967% (0.21 1.0 0.55 0.02) = 0.797% HB3 SER 49 - HB3 GLU- 75 2.500% * 0.5575% (0.13 1.0 0.62 0.27) = 0.558% HA PRO 52 - HB3 GLU- 75 2.500% * 0.0780% (0.58 1.0 0.02 0.02) = 0.078% HA ARG+ 84 - HB3 GLU- 75 2.500% * 0.0780% (0.58 1.0 0.02 0.02) = 0.078% HA SER 85 - HB3 GLU- 75 2.500% * 0.0780% (0.58 1.0 0.02 0.13) = 0.078% HA GLU- 107 - HB3 GLU- 75 2.500% * 0.0580% (0.43 1.0 0.02 0.02) = 0.058% HA THR 106 - HB3 GLU- 75 2.500% * 0.0288% (0.21 1.0 0.02 0.02) = 0.029% HA ASP- 36 - HB3 GLU- 75 2.500% * 0.0130% (0.10 1.0 0.02 0.13) = 0.013% HA LYS+ 108 - HB3 GLU- 75 2.500% * 0.0130% (0.10 1.0 0.02 0.02) = 0.013% HA GLU- 10 - HB3 GLU- 75 2.500% * 0.0130% (0.10 1.0 0.02 0.02) = 0.013% HA GLU- 54 - HB3 GLU- 75 2.500% * 0.0130% (0.10 1.0 0.02 0.18) = 0.013% HA VAL 65 - HB VAL 47 2.500% * 0.0054% (0.04 1.0 0.02 0.02) = 0.005% HA GLU- 64 - HB VAL 47 2.500% * 0.0054% (0.04 1.0 0.02 0.34) = 0.005% HA GLU- 75 - HB VAL 47 2.500% * 0.0053% (0.04 1.0 0.02 0.21) = 0.005% HA PRO 52 - HB VAL 47 2.500% * 0.0052% (0.04 1.0 0.02 0.02) = 0.005% HA ARG+ 84 - HB VAL 47 2.500% * 0.0052% (0.04 1.0 0.02 0.02) = 0.005% HD3 PRO 59 - HB VAL 47 2.500% * 0.0052% (0.04 1.0 0.02 0.02) = 0.005% HA SER 85 - HB VAL 47 2.500% * 0.0052% (0.04 1.0 0.02 0.02) = 0.005% HA VAL 94 - HB VAL 47 2.500% * 0.0050% (0.04 1.0 0.02 0.02) = 0.005% HA GLU- 56 - HB VAL 47 2.500% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% HA GLU- 107 - HB VAL 47 2.500% * 0.0038% (0.03 1.0 0.02 0.02) = 0.004% HA LEU 90 - HB VAL 47 2.500% * 0.0036% (0.03 1.0 0.02 0.02) = 0.004% HA ASN 76 - HB VAL 47 2.500% * 0.0036% (0.03 1.0 0.02 0.02) = 0.004% HA ALA 11 - HB VAL 47 2.500% * 0.0032% (0.02 1.0 0.02 0.02) = 0.003% HA THR 106 - HB VAL 47 2.500% * 0.0019% (0.01 1.0 0.02 0.02) = 0.002% HA PRO 59 - HB VAL 47 2.500% * 0.0019% (0.01 1.0 0.02 0.02) = 0.002% HB3 SER 49 - HB VAL 47 2.500% * 0.0012% (0.01 1.0 0.02 0.12) = 0.001% HA GLU- 54 - HB VAL 47 2.500% * 0.0009% (0.01 1.0 0.02 0.02) = 0.001% HA LYS+ 108 - HB VAL 47 2.500% * 0.0009% (0.01 1.0 0.02 0.02) = 0.001% HA GLU- 10 - HB VAL 47 2.500% * 0.0009% (0.01 1.0 0.02 0.02) = 0.001% HA ASP- 36 - HB VAL 47 2.500% * 0.0009% (0.01 1.0 0.02 0.02) = 0.001% Peak 2181 (4.23, 1.91, 30.50 ppm): 70 chemical-shift based assignments, quality = 0.508, support = 2.6, residual support = 13.0: O T HA GLU- 10 - HB2 GLU- 10 1.429% * 78.4706% (0.57 10.0 10.00 3.08 14.46) = 78.471% kept HA GLU- 54 - HB3 ARG+ 53 1.429% * 5.4777% (0.33 1.0 1.00 2.39 28.15) = 5.478% kept HA GLU- 18 - HB3 GLN 102 1.429% * 2.0658% (0.53 1.0 1.00 0.56 1.09) = 2.066% kept HA ALA 11 - HB2 GLU- 10 1.429% * 1.8728% (0.26 1.0 1.00 1.04 3.82) = 1.873% kept HA LYS+ 108 - HB3 GLN 102 1.429% * 1.5587% (0.48 1.0 1.00 0.47 0.02) = 1.559% kept HA GLU- 54 - HD3 LYS+ 63 1.429% * 1.3569% (0.55 1.0 1.00 0.36 0.38) = 1.357% kept HA SER 49 - HD3 LYS+ 63 1.429% * 1.1741% (0.62 1.0 1.00 0.28 0.02) = 1.174% kept HA SER 49 - HB3 ARG+ 53 1.429% * 1.0524% (0.37 1.0 1.00 0.41 0.02) = 1.052% kept T HA GLU- 18 - HB2 GLU- 10 1.429% * 0.8730% (0.63 1.0 10.00 0.02 0.02) = 0.873% T HA LYS+ 108 - HB2 GLU- 10 1.429% * 0.7847% (0.57 1.0 10.00 0.02 0.02) = 0.785% T HA GLU- 12 - HB2 GLU- 10 1.429% * 0.6010% (0.44 1.0 10.00 0.02 0.02) = 0.601% HB3 SER 49 - HD3 LYS+ 63 1.429% * 0.3150% (0.29 1.0 1.00 0.16 0.02) = 0.315% T HA ASN 76 - HB2 GLU- 10 1.429% * 0.2985% (0.22 1.0 10.00 0.02 0.02) = 0.298% T HA GLU- 107 - HB2 GLU- 10 1.429% * 0.2701% (0.20 1.0 10.00 0.02 0.02) = 0.270% T HA ASP- 82 - HB2 GLU- 75 1.429% * 0.2694% (0.05 1.0 10.00 0.08 0.02) = 0.269% T HA GLU- 18 - HB2 GLU- 75 1.429% * 0.2639% (0.19 1.0 10.00 0.02 0.02) = 0.264% T HA GLU- 56 - HB2 GLU- 10 1.429% * 0.2433% (0.18 1.0 10.00 0.02 0.02) = 0.243% T HA GLU- 10 - HB2 GLU- 75 1.429% * 0.2372% (0.17 1.0 10.00 0.02 0.02) = 0.237% T HA LYS+ 108 - HB2 GLU- 75 1.429% * 0.2372% (0.17 1.0 10.00 0.02 0.02) = 0.237% T HA ASP- 82 - HB2 GLU- 10 1.429% * 0.2182% (0.16 1.0 10.00 0.02 0.02) = 0.218% T HA GLU- 12 - HB2 GLU- 75 1.429% * 0.1817% (0.13 1.0 10.00 0.02 0.02) = 0.182% T HA ASN 76 - HB2 GLU- 75 1.429% * 0.0902% (0.07 1.0 10.00 0.02 0.10) = 0.090% HA SER 49 - HB2 GLU- 10 1.429% * 0.0875% (0.64 1.0 1.00 0.02 0.02) = 0.087% HA ALA 42 - HB2 GLU- 10 1.429% * 0.0867% (0.63 1.0 1.00 0.02 0.02) = 0.087% HA GLU- 18 - HD3 LYS+ 63 1.429% * 0.0850% (0.62 1.0 1.00 0.02 0.02) = 0.085% HA ALA 42 - HD3 LYS+ 63 1.429% * 0.0844% (0.61 1.0 1.00 0.02 0.02) = 0.084% T HA GLU- 107 - HB2 GLU- 75 1.429% * 0.0816% (0.06 1.0 10.00 0.02 0.02) = 0.082% HA GLU- 54 - HB2 GLU- 10 1.429% * 0.0785% (0.57 1.0 1.00 0.02 0.02) = 0.078% HA LYS+ 108 - HD3 LYS+ 63 1.429% * 0.0764% (0.55 1.0 1.00 0.02 0.02) = 0.076% HA GLU- 10 - HD3 LYS+ 63 1.429% * 0.0764% (0.55 1.0 1.00 0.02 0.02) = 0.076% T HA GLU- 56 - HB2 GLU- 75 1.429% * 0.0735% (0.05 1.0 10.00 0.02 0.02) = 0.074% HA SER 49 - HB3 GLN 102 1.429% * 0.0735% (0.53 1.0 1.00 0.02 0.60) = 0.073% HA ALA 42 - HB3 GLN 102 1.429% * 0.0728% (0.53 1.0 1.00 0.02 0.02) = 0.073% HA GLU- 54 - HB3 GLN 102 1.429% * 0.0659% (0.48 1.0 1.00 0.02 0.02) = 0.066% HA GLU- 10 - HB3 GLN 102 1.429% * 0.0659% (0.48 1.0 1.00 0.02 0.02) = 0.066% HA GLU- 12 - HD3 LYS+ 63 1.429% * 0.0585% (0.42 1.0 1.00 0.02 0.02) = 0.059% HA PRO 59 - HB2 GLU- 10 1.429% * 0.0566% (0.41 1.0 1.00 0.02 0.02) = 0.057% HA PRO 59 - HD3 LYS+ 63 1.429% * 0.0551% (0.40 1.0 1.00 0.02 0.02) = 0.055% HA GLU- 18 - HB3 ARG+ 53 1.429% * 0.0511% (0.37 1.0 1.00 0.02 0.02) = 0.051% HA ALA 42 - HB3 ARG+ 53 1.429% * 0.0507% (0.37 1.0 1.00 0.02 0.02) = 0.051% HA GLU- 12 - HB3 GLN 102 1.429% * 0.0505% (0.37 1.0 1.00 0.02 0.02) = 0.050% HA PRO 59 - HB3 GLN 102 1.429% * 0.0475% (0.35 1.0 1.00 0.02 0.02) = 0.048% HA GLU- 10 - HB3 ARG+ 53 1.429% * 0.0459% (0.33 1.0 1.00 0.02 0.02) = 0.046% HA LYS+ 108 - HB3 ARG+ 53 1.429% * 0.0459% (0.33 1.0 1.00 0.02 0.02) = 0.046% HB3 SER 49 - HB2 GLU- 10 1.429% * 0.0411% (0.30 1.0 1.00 0.02 0.02) = 0.041% HA GLU- 12 - HB3 ARG+ 53 1.429% * 0.0352% (0.26 1.0 1.00 0.02 0.02) = 0.035% HA ALA 11 - HD3 LYS+ 63 1.429% * 0.0350% (0.25 1.0 1.00 0.02 0.02) = 0.035% HB3 SER 49 - HB3 GLN 102 1.429% * 0.0345% (0.25 1.0 1.00 0.02 0.60) = 0.034% HA PRO 59 - HB3 ARG+ 53 1.429% * 0.0331% (0.24 1.0 1.00 0.02 0.02) = 0.033% HA ALA 11 - HB3 GLN 102 1.429% * 0.0302% (0.22 1.0 1.00 0.02 0.02) = 0.030% HA ASN 76 - HD3 LYS+ 63 1.429% * 0.0291% (0.21 1.0 1.00 0.02 0.02) = 0.029% HA SER 49 - HB2 GLU- 75 1.429% * 0.0264% (0.19 1.0 1.00 0.02 0.27) = 0.026% HA GLU- 107 - HD3 LYS+ 63 1.429% * 0.0263% (0.19 1.0 1.00 0.02 0.02) = 0.026% HA ALA 42 - HB2 GLU- 75 1.429% * 0.0262% (0.19 1.0 1.00 0.02 0.02) = 0.026% HA ASN 76 - HB3 GLN 102 1.429% * 0.0251% (0.18 1.0 1.00 0.02 0.02) = 0.025% HB3 SER 49 - HB3 ARG+ 53 1.429% * 0.0240% (0.17 1.0 1.00 0.02 0.02) = 0.024% HA GLU- 54 - HB2 GLU- 75 1.429% * 0.0237% (0.17 1.0 1.00 0.02 0.18) = 0.024% HA GLU- 56 - HD3 LYS+ 63 1.429% * 0.0237% (0.17 1.0 1.00 0.02 0.02) = 0.024% HA GLU- 107 - HB3 GLN 102 1.429% * 0.0227% (0.16 1.0 1.00 0.02 0.02) = 0.023% HA ASP- 82 - HD3 LYS+ 63 1.429% * 0.0212% (0.15 1.0 1.00 0.02 0.02) = 0.021% HA ALA 11 - HB3 ARG+ 53 1.429% * 0.0210% (0.15 1.0 1.00 0.02 0.02) = 0.021% HA GLU- 56 - HB3 GLN 102 1.429% * 0.0204% (0.15 1.0 1.00 0.02 0.02) = 0.020% HA ASP- 82 - HB3 GLN 102 1.429% * 0.0183% (0.13 1.0 1.00 0.02 0.02) = 0.018% HA ASN 76 - HB3 ARG+ 53 1.429% * 0.0175% (0.13 1.0 1.00 0.02 0.02) = 0.017% HA PRO 59 - HB2 GLU- 75 1.429% * 0.0171% (0.12 1.0 1.00 0.02 0.02) = 0.017% HA GLU- 107 - HB3 ARG+ 53 1.429% * 0.0158% (0.11 1.0 1.00 0.02 0.02) = 0.016% HA GLU- 56 - HB3 ARG+ 53 1.429% * 0.0142% (0.10 1.0 1.00 0.02 0.02) = 0.014% HA ASP- 82 - HB3 ARG+ 53 1.429% * 0.0128% (0.09 1.0 1.00 0.02 0.02) = 0.013% HB3 SER 49 - HB2 GLU- 75 1.429% * 0.0124% (0.09 1.0 1.00 0.02 0.27) = 0.012% HA ALA 11 - HB2 GLU- 75 1.429% * 0.0109% (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 (2.24, 2.01, 30.52 ppm): 64 chemical-shift based assignments, quality = 0.682, support = 2.21, residual support = 10.7: O HG3 GLU- 10 - HB3 GLU- 10 1.563% * 68.8836% (0.84 10.0 2.52 14.46) = 68.884% kept O HG3 GLU- 107 - HB3 GLU- 107 1.563% * 25.5380% (0.36 10.0 1.72 2.64) = 25.538% kept HA1 GLY 58 - HB2 HIS+ 14 1.563% * 2.1571% (0.37 1.0 1.41 0.80) = 2.157% kept HB3 PRO 35 - HB3 GLU- 75 1.563% * 0.7592% (0.16 1.0 1.14 2.60) = 0.759% HA1 GLY 58 - HB3 GLU- 75 1.563% * 0.3617% (0.08 1.0 1.16 0.59) = 0.362% HG3 GLU- 56 - HB3 GLU- 107 1.563% * 0.0773% (0.95 1.0 0.02 0.02) = 0.077% HG3 GLU- 10 - HB3 GLU- 107 1.563% * 0.0746% (0.91 1.0 0.02 0.02) = 0.075% HG3 GLU- 56 - HB2 HIS+ 14 1.563% * 0.0733% (0.90 1.0 0.02 0.02) = 0.073% HG2 GLU- 56 - HB3 GLU- 107 1.563% * 0.0728% (0.89 1.0 0.02 0.02) = 0.073% HG3 GLU- 56 - HB3 GLU- 10 1.563% * 0.0714% (0.87 1.0 0.02 0.02) = 0.071% HG3 GLU- 10 - HB2 HIS+ 14 1.563% * 0.0708% (0.87 1.0 0.02 0.02) = 0.071% HG2 GLU- 56 - HB2 HIS+ 14 1.563% * 0.0690% (0.85 1.0 0.02 0.02) = 0.069% HB3 PRO 35 - HB3 GLU- 107 1.563% * 0.0687% (0.84 1.0 0.02 0.02) = 0.069% HB3 PRO 52 - HB3 GLU- 107 1.563% * 0.0684% (0.84 1.0 0.02 0.02) = 0.068% HG2 GLU- 56 - HB3 GLU- 10 1.563% * 0.0672% (0.82 1.0 0.02 0.02) = 0.067% HB3 ASN 15 - HB3 GLU- 107 1.563% * 0.0659% (0.81 1.0 0.02 0.02) = 0.066% HB3 PRO 35 - HB2 HIS+ 14 1.563% * 0.0651% (0.80 1.0 0.02 0.02) = 0.065% HB3 PRO 52 - HB2 HIS+ 14 1.563% * 0.0649% (0.79 1.0 0.02 0.02) = 0.065% HB3 PRO 35 - HB3 GLU- 10 1.563% * 0.0634% (0.78 1.0 0.02 0.02) = 0.063% HB3 PRO 52 - HB3 GLU- 10 1.563% * 0.0632% (0.77 1.0 0.02 0.02) = 0.063% HB3 ASN 15 - HB2 HIS+ 14 1.563% * 0.0625% (0.77 1.0 0.02 5.03) = 0.062% HB3 ASN 15 - HB3 GLU- 10 1.563% * 0.0608% (0.75 1.0 0.02 0.02) = 0.061% HG2 GLU- 64 - HB3 GLU- 107 1.563% * 0.0605% (0.74 1.0 0.02 0.02) = 0.061% HG2 GLU- 64 - HB2 HIS+ 14 1.563% * 0.0574% (0.70 1.0 0.02 0.02) = 0.057% HG3 GLN 102 - HB3 GLU- 107 1.563% * 0.0573% (0.70 1.0 0.02 0.02) = 0.057% HG2 GLU- 64 - HB3 GLU- 10 1.563% * 0.0558% (0.68 1.0 0.02 0.02) = 0.056% HG3 GLN 102 - HB2 HIS+ 14 1.563% * 0.0543% (0.67 1.0 0.02 0.02) = 0.054% HG3 GLN 102 - HB3 GLU- 10 1.563% * 0.0529% (0.65 1.0 0.02 0.02) = 0.053% HG3 GLU- 18 - HB3 GLU- 107 1.563% * 0.0479% (0.59 1.0 0.02 0.02) = 0.048% HG3 GLU- 18 - HB2 HIS+ 14 1.563% * 0.0454% (0.56 1.0 0.02 0.15) = 0.045% HG3 GLU- 18 - HB3 GLU- 10 1.563% * 0.0442% (0.54 1.0 0.02 0.02) = 0.044% HB2 GLU- 50 - HB3 GLU- 107 1.563% * 0.0415% (0.51 1.0 0.02 0.02) = 0.042% HB2 GLU- 50 - HB2 HIS+ 14 1.563% * 0.0394% (0.48 1.0 0.02 0.02) = 0.039% HB2 GLU- 50 - HB3 GLU- 10 1.563% * 0.0383% (0.47 1.0 0.02 0.02) = 0.038% HG3 GLU- 64 - HB3 GLU- 107 1.563% * 0.0348% (0.43 1.0 0.02 0.02) = 0.035% HG3 GLU- 64 - HB2 HIS+ 14 1.563% * 0.0330% (0.40 1.0 0.02 0.02) = 0.033% HG3 MET 97 - HB3 GLU- 107 1.563% * 0.0324% (0.40 1.0 0.02 0.02) = 0.032% HA1 GLY 58 - HB3 GLU- 107 1.563% * 0.0322% (0.40 1.0 0.02 0.02) = 0.032% HG3 GLU- 64 - HB3 GLU- 10 1.563% * 0.0321% (0.39 1.0 0.02 0.02) = 0.032% HG3 MET 97 - HB2 HIS+ 14 1.563% * 0.0308% (0.38 1.0 0.02 0.02) = 0.031% HG3 MET 97 - HB3 GLU- 10 1.563% * 0.0299% (0.37 1.0 0.02 0.02) = 0.030% HA1 GLY 58 - HB3 GLU- 10 1.563% * 0.0298% (0.36 1.0 0.02 0.02) = 0.030% HG3 GLU- 107 - HB2 HIS+ 14 1.563% * 0.0281% (0.34 1.0 0.02 0.02) = 0.028% HG3 GLU- 107 - HB3 GLU- 10 1.563% * 0.0273% (0.33 1.0 0.02 0.02) = 0.027% HG3 GLU- 54 - HB3 GLU- 107 1.563% * 0.0244% (0.30 1.0 0.02 0.02) = 0.024% HG3 GLU- 54 - HB2 HIS+ 14 1.563% * 0.0231% (0.28 1.0 0.02 0.02) = 0.023% HG3 GLU- 54 - HB3 GLU- 10 1.563% * 0.0225% (0.28 1.0 0.02 0.02) = 0.022% HG3 GLU- 56 - HB3 GLU- 75 1.563% * 0.0150% (0.18 1.0 0.02 0.02) = 0.015% HG3 GLU- 10 - HB3 GLU- 75 1.563% * 0.0144% (0.18 1.0 0.02 0.02) = 0.014% HG2 GLU- 56 - HB3 GLU- 75 1.563% * 0.0141% (0.17 1.0 0.02 0.02) = 0.014% HB3 PRO 52 - HB3 GLU- 75 1.563% * 0.0132% (0.16 1.0 0.02 0.02) = 0.013% HB3 ASN 15 - HB3 GLU- 75 1.563% * 0.0128% (0.16 1.0 0.02 0.17) = 0.013% HG2 GLU- 64 - HB3 GLU- 75 1.563% * 0.0117% (0.14 1.0 0.02 0.02) = 0.012% HG3 GLN 102 - HB3 GLU- 75 1.563% * 0.0111% (0.14 1.0 0.02 0.66) = 0.011% HG3 GLN 16 - HB3 GLU- 107 1.563% * 0.0107% (0.13 1.0 0.02 0.02) = 0.011% HG3 GLN 16 - HB2 HIS+ 14 1.563% * 0.0101% (0.12 1.0 0.02 0.02) = 0.010% HG3 GLN 16 - HB3 GLU- 10 1.563% * 0.0099% (0.12 1.0 0.02 0.02) = 0.010% HG3 GLU- 18 - HB3 GLU- 75 1.563% * 0.0093% (0.11 1.0 0.02 0.02) = 0.009% HB2 GLU- 50 - HB3 GLU- 75 1.563% * 0.0080% (0.10 1.0 0.02 0.02) = 0.008% HG3 GLU- 64 - HB3 GLU- 75 1.563% * 0.0067% (0.08 1.0 0.02 0.02) = 0.007% HG3 MET 97 - HB3 GLU- 75 1.563% * 0.0063% (0.08 1.0 0.02 0.02) = 0.006% HG3 GLU- 107 - HB3 GLU- 75 1.563% * 0.0057% (0.07 1.0 0.02 0.02) = 0.006% HG3 GLU- 54 - HB3 GLU- 75 1.563% * 0.0047% (0.06 1.0 0.02 0.18) = 0.005% HG3 GLN 16 - HB3 GLU- 75 1.563% * 0.0021% (0.03 1.0 0.02 0.02) = 0.002% Peak 2212 (2.22, 1.92, 30.53 ppm): 70 chemical-shift based assignments, quality = 0.437, support = 2.57, residual support = 20.2: O HG3 GLN 102 - HB3 GLN 102 1.429% * 49.5414% (0.51 10.0 3.12 28.85) = 49.541% kept O HG3 GLU- 10 - HB2 GLU- 10 1.429% * 39.5130% (0.41 10.0 2.27 14.46) = 39.513% kept HB3 PRO 35 - HB2 GLU- 75 1.429% * 2.8253% (0.27 1.0 2.19 2.60) = 2.825% kept HG3 GLU- 18 - HB3 GLN 102 1.429% * 2.6854% (0.51 1.0 1.09 1.09) = 2.685% kept HB3 PRO 52 - HB3 ARG+ 53 1.429% * 1.9106% (0.19 1.0 2.03 7.20) = 1.911% kept HA1 GLY 58 - HB2 GLU- 75 1.429% * 0.8662% (0.12 1.0 1.43 0.59) = 0.866% HG3 GLU- 18 - HB3 ARG+ 53 1.429% * 0.3750% (0.20 1.0 0.38 0.02) = 0.375% HB3 PRO 35 - HD3 LYS+ 63 1.429% * 0.3180% (0.37 1.0 0.18 0.02) = 0.318% HG3 GLN 102 - HB2 GLU- 10 1.429% * 0.0810% (0.83 1.0 0.02 0.02) = 0.081% HG3 GLU- 18 - HB2 GLU- 10 1.429% * 0.0805% (0.83 1.0 0.02 0.02) = 0.080% HB2 GLU- 50 - HB2 GLU- 10 1.429% * 0.0783% (0.81 1.0 0.02 0.02) = 0.078% HB3 PRO 52 - HB2 GLU- 10 1.429% * 0.0768% (0.79 1.0 0.02 0.02) = 0.077% HG3 MET 97 - HB2 GLU- 10 1.429% * 0.0728% (0.75 1.0 0.02 0.02) = 0.073% HG2 GLU- 64 - HB2 GLU- 10 1.429% * 0.0706% (0.73 1.0 0.02 0.02) = 0.071% HB3 PRO 35 - HB2 GLU- 10 1.429% * 0.0669% (0.69 1.0 0.02 0.02) = 0.067% HB2 GLU- 50 - HB3 GLN 102 1.429% * 0.0479% (0.49 1.0 0.02 0.02) = 0.048% HB3 PRO 52 - HB3 GLN 102 1.429% * 0.0470% (0.48 1.0 0.02 0.02) = 0.047% HG3 GLU- 56 - HB2 GLU- 10 1.429% * 0.0460% (0.47 1.0 0.02 0.02) = 0.046% HG3 GLU- 64 - HB2 GLU- 10 1.429% * 0.0449% (0.46 1.0 0.02 0.02) = 0.045% HG3 MET 97 - HB3 GLN 102 1.429% * 0.0445% (0.46 1.0 0.02 0.02) = 0.045% HG3 GLN 102 - HD3 LYS+ 63 1.429% * 0.0440% (0.45 1.0 0.02 0.02) = 0.044% HG3 GLU- 18 - HD3 LYS+ 63 1.429% * 0.0437% (0.45 1.0 0.02 0.02) = 0.044% HG2 GLU- 64 - HB3 GLN 102 1.429% * 0.0432% (0.44 1.0 0.02 0.42) = 0.043% HG3 GLN 16 - HB2 GLU- 10 1.429% * 0.0427% (0.44 1.0 0.02 0.02) = 0.043% HB2 GLU- 50 - HD3 LYS+ 63 1.429% * 0.0425% (0.44 1.0 0.02 0.02) = 0.043% HB3 PRO 52 - HD3 LYS+ 63 1.429% * 0.0417% (0.43 1.0 0.02 0.02) = 0.042% HB3 PRO 35 - HB3 GLN 102 1.429% * 0.0409% (0.42 1.0 0.02 0.02) = 0.041% HG3 MET 97 - HD3 LYS+ 63 1.429% * 0.0395% (0.41 1.0 0.02 0.02) = 0.040% HG2 GLU- 64 - HD3 LYS+ 63 1.429% * 0.0384% (0.39 1.0 0.02 15.02) = 0.038% HG2 GLU- 56 - HB2 GLU- 10 1.429% * 0.0364% (0.37 1.0 0.02 0.02) = 0.036% HA1 GLY 58 - HB2 GLU- 10 1.429% * 0.0313% (0.32 1.0 0.02 0.02) = 0.031% HG3 GLN 102 - HB2 GLU- 75 1.429% * 0.0313% (0.32 1.0 0.02 0.66) = 0.031% HG3 GLU- 18 - HB2 GLU- 75 1.429% * 0.0311% (0.32 1.0 0.02 0.02) = 0.031% HB2 GLU- 50 - HB2 GLU- 75 1.429% * 0.0303% (0.31 1.0 0.02 0.02) = 0.030% HB3 PRO 52 - HB2 GLU- 75 1.429% * 0.0297% (0.30 1.0 0.02 0.02) = 0.030% HG3 MET 97 - HB2 GLU- 75 1.429% * 0.0281% (0.29 1.0 0.02 0.02) = 0.028% HG3 GLU- 56 - HB3 GLN 102 1.429% * 0.0281% (0.29 1.0 0.02 0.02) = 0.028% HB3 ASN 15 - HB2 GLU- 10 1.429% * 0.0277% (0.28 1.0 0.02 0.02) = 0.028% HG3 GLU- 64 - HB3 GLN 102 1.429% * 0.0275% (0.28 1.0 0.02 0.42) = 0.027% HG2 GLU- 64 - HB2 GLU- 75 1.429% * 0.0273% (0.28 1.0 0.02 0.02) = 0.027% HG3 GLN 16 - HB3 GLN 102 1.429% * 0.0261% (0.27 1.0 0.02 0.17) = 0.026% HG3 GLU- 56 - HD3 LYS+ 63 1.429% * 0.0250% (0.26 1.0 0.02 0.02) = 0.025% HG3 GLU- 64 - HD3 LYS+ 63 1.429% * 0.0244% (0.25 1.0 0.02 15.02) = 0.024% HG3 GLU- 10 - HB3 GLN 102 1.429% * 0.0242% (0.25 1.0 0.02 0.02) = 0.024% HG3 GLN 16 - HD3 LYS+ 63 1.429% * 0.0232% (0.24 1.0 0.02 0.02) = 0.023% HG2 GLU- 56 - HB3 GLN 102 1.429% * 0.0223% (0.23 1.0 0.02 0.02) = 0.022% HG3 GLU- 10 - HD3 LYS+ 63 1.429% * 0.0215% (0.22 1.0 0.02 0.02) = 0.021% HG3 GLN 102 - HB3 ARG+ 53 1.429% * 0.0199% (0.20 1.0 0.02 0.02) = 0.020% HG2 GLU- 56 - HD3 LYS+ 63 1.429% * 0.0198% (0.20 1.0 0.02 0.02) = 0.020% HB2 GLU- 50 - HB3 ARG+ 53 1.429% * 0.0192% (0.20 1.0 0.02 0.02) = 0.019% HA1 GLY 58 - HB3 GLN 102 1.429% * 0.0191% (0.20 1.0 0.02 0.02) = 0.019% HG3 MET 97 - HB3 ARG+ 53 1.429% * 0.0179% (0.18 1.0 0.02 0.02) = 0.018% HG3 GLU- 56 - HB2 GLU- 75 1.429% * 0.0177% (0.18 1.0 0.02 0.02) = 0.018% HG2 GLU- 64 - HB3 ARG+ 53 1.429% * 0.0174% (0.18 1.0 0.02 0.02) = 0.017% HG3 GLU- 64 - HB2 GLU- 75 1.429% * 0.0173% (0.18 1.0 0.02 0.02) = 0.017% HA1 GLY 58 - HD3 LYS+ 63 1.429% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% HB3 ASN 15 - HB3 GLN 102 1.429% * 0.0169% (0.17 1.0 0.02 0.02) = 0.017% HG3 GLN 16 - HB2 GLU- 75 1.429% * 0.0165% (0.17 1.0 0.02 0.02) = 0.016% HB3 PRO 35 - HB3 ARG+ 53 1.429% * 0.0164% (0.17 1.0 0.02 0.02) = 0.016% HG3 GLU- 10 - HB2 GLU- 75 1.429% * 0.0153% (0.16 1.0 0.02 0.02) = 0.015% HB3 ASN 15 - HD3 LYS+ 63 1.429% * 0.0150% (0.15 1.0 0.02 0.02) = 0.015% HG2 GLU- 56 - HB2 GLU- 75 1.429% * 0.0141% (0.14 1.0 0.02 0.02) = 0.014% HG3 GLU- 56 - HB3 ARG+ 53 1.429% * 0.0113% (0.12 1.0 0.02 0.02) = 0.011% HG3 GLU- 64 - HB3 ARG+ 53 1.429% * 0.0110% (0.11 1.0 0.02 0.02) = 0.011% HB3 ASN 15 - HB2 GLU- 75 1.429% * 0.0107% (0.11 1.0 0.02 0.17) = 0.011% HG3 GLN 16 - HB3 ARG+ 53 1.429% * 0.0105% (0.11 1.0 0.02 0.02) = 0.010% HG3 GLU- 10 - HB3 ARG+ 53 1.429% * 0.0097% (0.10 1.0 0.02 0.02) = 0.010% HG2 GLU- 56 - HB3 ARG+ 53 1.429% * 0.0089% (0.09 1.0 0.02 0.02) = 0.009% HA1 GLY 58 - HB3 ARG+ 53 1.429% * 0.0077% (0.08 1.0 0.02 0.02) = 0.008% HB3 ASN 15 - HB3 ARG+ 53 1.429% * 0.0068% (0.07 1.0 0.02 0.02) = 0.007% Peak 2222 (1.97, 2.01, 30.52 ppm): 28 chemical-shift based assignments, quality = 0.453, support = 1.46, residual support = 7.49: T HB2 LYS+ 108 - HB3 GLU- 107 3.571% * 77.1817% (0.47 1.0 10.00 1.57 8.47) = 77.182% kept HB VAL 13 - HB2 HIS+ 14 3.571% * 9.2516% (0.70 1.0 1.00 1.26 2.06) = 9.252% kept O HB2 GLU- 75 - HB3 GLU- 75 3.571% * 7.2424% (0.04 10.0 1.00 1.67 10.58) = 7.242% kept HB VAL 73 - HB3 GLU- 10 3.571% * 1.7792% (0.88 1.0 1.00 0.19 0.02) = 1.779% kept HB2 LYS+ 108 - HB2 HIS+ 14 3.571% * 1.4976% (0.45 1.0 1.00 0.32 0.02) = 1.498% kept T HB2 LYS+ 108 - HB3 GLU- 10 3.571% * 0.9074% (0.43 1.0 10.00 0.02 0.02) = 0.907% HB VAL 73 - HB3 GLU- 107 3.571% * 0.1976% (0.95 1.0 1.00 0.02 0.02) = 0.198% HG3 PRO 104 - HB3 GLU- 107 3.571% * 0.1907% (0.91 1.0 1.00 0.02 0.02) = 0.191% T HB2 LYS+ 108 - HB3 GLU- 75 3.571% * 0.1898% (0.09 1.0 10.00 0.02 0.02) = 0.190% HB VAL 73 - HB2 HIS+ 14 3.571% * 0.1877% (0.90 1.0 1.00 0.02 0.02) = 0.188% HG3 PRO 104 - HB2 HIS+ 14 3.571% * 0.1811% (0.87 1.0 1.00 0.02 0.02) = 0.181% HG3 PRO 104 - HB3 GLU- 10 3.571% * 0.1763% (0.84 1.0 1.00 0.02 0.02) = 0.176% HB VAL 13 - HB3 GLU- 107 3.571% * 0.1541% (0.74 1.0 1.00 0.02 0.02) = 0.154% HB VAL 13 - HB3 GLU- 10 3.571% * 0.1425% (0.68 1.0 1.00 0.02 0.02) = 0.142% HG3 PRO 31 - HB3 GLU- 107 3.571% * 0.0829% (0.40 1.0 1.00 0.02 0.02) = 0.083% HG3 PRO 31 - HB2 HIS+ 14 3.571% * 0.0787% (0.38 1.0 1.00 0.02 0.02) = 0.079% HG3 PRO 31 - HB3 GLU- 10 3.571% * 0.0766% (0.37 1.0 1.00 0.02 0.02) = 0.077% HB3 LYS+ 55 - HB3 GLU- 107 3.571% * 0.0757% (0.36 1.0 1.00 0.02 0.02) = 0.076% HB3 LYS+ 55 - HB2 HIS+ 14 3.571% * 0.0719% (0.34 1.0 1.00 0.02 0.02) = 0.072% HB3 LYS+ 55 - HB3 GLU- 10 3.571% * 0.0700% (0.34 1.0 1.00 0.02 0.02) = 0.070% HB2 GLU- 75 - HB3 GLU- 107 3.571% * 0.0449% (0.21 1.0 1.00 0.02 0.02) = 0.045% HB2 GLU- 75 - HB2 HIS+ 14 3.571% * 0.0426% (0.20 1.0 1.00 0.02 0.02) = 0.043% HB2 GLU- 75 - HB3 GLU- 10 3.571% * 0.0415% (0.20 1.0 1.00 0.02 0.02) = 0.042% HB VAL 73 - HB3 GLU- 75 3.571% * 0.0382% (0.18 1.0 1.00 0.02 0.02) = 0.038% HG3 PRO 104 - HB3 GLU- 75 3.571% * 0.0369% (0.18 1.0 1.00 0.02 0.02) = 0.037% HB VAL 13 - HB3 GLU- 75 3.571% * 0.0298% (0.14 1.0 1.00 0.02 0.02) = 0.030% HG3 PRO 31 - HB3 GLU- 75 3.571% * 0.0160% (0.08 1.0 1.00 0.02 0.02) = 0.016% HB3 LYS+ 55 - HB3 GLU- 75 3.571% * 0.0146% (0.07 1.0 1.00 0.02 0.02) = 0.015% 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 = 0.783, support = 3.4, residual support = 24.3: HN GLU- 54 - HB3 ARG+ 53 16.667% * 86.2471% (0.79 3.90 28.15) = 86.247% kept HN LYS+ 66 - HB3 ARG+ 53 16.667% * 6.8064% (0.89 0.27 0.02) = 6.806% kept HN GLU- 54 - HD3 LYS+ 63 16.667% * 6.4564% (0.62 0.37 0.38) = 6.456% kept HN LYS+ 66 - HD3 LYS+ 63 16.667% * 0.3869% (0.69 0.02 0.02) = 0.387% HN LYS+ 66 - HB2 GLU- 10 16.667% * 0.0545% (0.10 0.02 0.02) = 0.055% HN GLU- 54 - HB2 GLU- 10 16.667% * 0.0487% (0.09 0.02 0.02) = 0.049% Peak 2245 (8.44, 1.90, 30.28 ppm): 20 chemical-shift based assignments, quality = 0.778, support = 3.16, residual support = 26.8: O HN ARG+ 53 - HB3 ARG+ 53 5.000% * 83.1318% (0.84 10.0 3.54 31.56) = 83.132% kept HN ARG+ 53 - HD3 LYS+ 63 5.000% * 4.9585% (0.80 1.0 1.26 0.12) = 4.959% kept O HN GLU- 75 - HB2 GLU- 75 5.000% * 4.8303% (0.05 10.0 2.41 10.58) = 4.830% kept HN GLU- 75 - HB3 ARG+ 53 5.000% * 2.8082% (0.81 1.0 0.70 0.42) = 2.808% kept HN HIS+ 14 - HD3 LYS+ 63 5.000% * 2.5548% (0.56 1.0 0.93 0.25) = 2.555% kept HN HIS+ 14 - HB3 ARG+ 53 5.000% * 0.8568% (0.59 1.0 0.29 0.02) = 0.857% HN LEU 74 - HB3 ARG+ 53 5.000% * 0.5741% (0.78 1.0 0.15 0.02) = 0.574% HN GLU- 75 - HD3 LYS+ 63 5.000% * 0.0758% (0.77 1.0 0.02 0.02) = 0.076% HN LEU 74 - HD3 LYS+ 63 5.000% * 0.0727% (0.74 1.0 0.02 0.02) = 0.073% HN GLU- 107 - HB3 ARG+ 53 5.000% * 0.0266% (0.27 1.0 0.02 0.02) = 0.027% HN GLU- 107 - HD3 LYS+ 63 5.000% * 0.0252% (0.26 1.0 0.02 0.02) = 0.025% HN ARG+ 53 - HB2 GLU- 10 5.000% * 0.0180% (0.18 1.0 0.02 0.02) = 0.018% HN GLU- 75 - HB2 GLU- 10 5.000% * 0.0173% (0.18 1.0 0.02 0.02) = 0.017% HN LEU 74 - HB2 GLU- 10 5.000% * 0.0166% (0.17 1.0 0.02 0.02) = 0.017% HN HIS+ 14 - HB2 GLU- 10 5.000% * 0.0126% (0.13 1.0 0.02 0.02) = 0.013% HN GLU- 107 - HB2 GLU- 10 5.000% * 0.0058% (0.06 1.0 0.02 0.02) = 0.006% HN ARG+ 53 - HB2 GLU- 75 5.000% * 0.0050% (0.05 1.0 0.02 0.42) = 0.005% HN LEU 74 - HB2 GLU- 75 5.000% * 0.0046% (0.05 1.0 0.02 5.01) = 0.005% HN HIS+ 14 - HB2 GLU- 75 5.000% * 0.0035% (0.04 1.0 0.02 0.02) = 0.004% HN GLU- 107 - HB2 GLU- 75 5.000% * 0.0016% (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): 1 chemical-shift based assignment, quality = 0.705, support = 3.7, residual support = 42.1: O HG3 LYS+ 20 - HD3 LYS+ 20 100.000% *100.0000% (0.71 10.0 3.70 42.15) = 100.000% kept Peak 2267 (1.04, 1.40, 29.97 ppm): 1 chemical-shift based assignment, quality = 0.924, support = 3.7, residual support = 42.1: O HG3 LYS+ 20 - HD3 LYS+ 20 100.000% *100.0000% (0.92 10.0 3.70 42.15) = 100.000% kept 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 = 0.45, support = 3.92, residual support = 80.0: O HN TRP 51 - HB2 TRP 51 50.000% * 94.1412% (0.47 10.0 3.95 79.96) = 94.141% kept HH2 TRP 51 - HB2 TRP 51 50.000% * 5.8588% (0.17 1.0 3.43 79.96) = 5.859% kept Peak 2272 (7.21, 3.03, 29.45 ppm): 2 chemical-shift based assignments, quality = 0.381, support = 3.81, residual support = 80.0: O HN TRP 51 - HB3 TRP 51 50.000% * 90.7905% (0.39 10.0 3.89 79.96) = 90.791% kept HH2 TRP 51 - HB3 TRP 51 50.000% * 9.2095% (0.27 1.0 2.95 79.96) = 9.209% 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): 4 chemical-shift based assignments, quality = 0.38, support = 3.87, residual support = 74.8: O HB2 TRP 51 - HB3 TRP 51 25.000% * 93.4733% (0.39 10.0 3.97 79.96) = 93.473% kept HD2 PRO 52 - HB3 TRP 51 25.000% * 6.3390% (0.21 1.0 2.49 1.08) = 6.339% kept HA LYS+ 81 - HB3 TRP 51 25.000% * 0.0960% (0.40 1.0 0.02 0.02) = 0.096% HB3 SER 69 - HB3 TRP 51 25.000% * 0.0916% (0.38 1.0 0.02 0.02) = 0.092% Peak 2275 (3.04, 3.70, 29.49 ppm): 3 chemical-shift based assignments, quality = 0.306, support = 3.74, residual support = 74.1: O T HB3 TRP 51 - HB2 TRP 51 33.333% * 92.4731% (0.31 10.0 10.00 3.97 79.96) = 92.473% kept HA1 GLY 58 - HB2 TRP 51 33.333% * 3.8194% (0.22 1.0 1.00 1.14 4.39) = 3.819% kept HB3 HIS+ 14 - HB2 TRP 51 33.333% * 3.7075% (0.35 1.0 1.00 0.70 0.02) = 3.708% kept Peak 2276 (2.89, 1.57, 29.33 ppm): 10 chemical-shift based assignments, quality = 0.328, support = 0.98, residual support = 48.0: O HE3 LYS+ 81 - HD3 LYS+ 81 10.000% * 98.0153% (0.33 10.0 1.00 1.00 49.00) = 98.015% kept HA1 GLY 58 - HD3 LYS+ 81 10.000% * 0.8931% (0.30 1.0 1.00 0.10 0.02) = 0.893% T HE3 LYS+ 60 - HD3 LYS+ 81 10.000% * 0.3958% (0.07 1.0 10.00 0.02 0.02) = 0.396% HB3 ASN 57 - HD3 LYS+ 81 10.000% * 0.2143% (0.37 1.0 1.00 0.02 0.02) = 0.214% HB2 HIS+ 98 - HD3 LYS+ 81 10.000% * 0.1350% (0.23 1.0 1.00 0.02 0.26) = 0.135% T HE3 LYS+ 60 - HD3 LYS+ 32 10.000% * 0.1226% (0.02 1.0 10.00 0.02 0.02) = 0.123% HB3 ASN 57 - HD3 LYS+ 32 10.000% * 0.0664% (0.11 1.0 1.00 0.02 0.02) = 0.066% HE3 LYS+ 81 - HD3 LYS+ 32 10.000% * 0.0607% (0.10 1.0 1.00 0.02 0.82) = 0.061% HA1 GLY 58 - HD3 LYS+ 32 10.000% * 0.0551% (0.09 1.0 1.00 0.02 0.02) = 0.055% HB2 HIS+ 98 - HD3 LYS+ 32 10.000% * 0.0418% (0.07 1.0 1.00 0.02 0.12) = 0.042% Peak 2281 (8.79, 4.00, 70.73 ppm): 4 chemical-shift based assignments, quality = 0.84, support = 4.28, residual support = 30.0: O HN THR 95 - HB THR 95 25.000% * 97.8408% (0.84 10.0 4.36 30.62) = 97.841% kept HN SER 69 - HB THR 95 25.000% * 2.1145% (0.89 1.0 0.41 0.02) = 2.115% 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): 30 chemical-shift based assignments, quality = 0.556, support = 4.33, residual support = 43.7: O HN GLU- 45 - HB3 GLU- 45 3.333% * 39.4133% (0.54 10.0 5.10 55.69) = 39.413% kept O HN GLU- 45 - HB2 GLU- 45 3.333% * 38.3921% (0.52 10.0 5.47 55.69) = 38.392% kept HN SER 49 - HB2 GLU- 45 3.333% * 4.7950% (0.79 1.0 1.64 3.80) = 4.795% kept HN SER 49 - HB3 GLU- 45 3.333% * 4.4436% (0.81 1.0 1.48 3.80) = 4.444% kept HN VAL 94 - HB2 GLU- 45 3.333% * 2.2027% (0.75 1.0 0.80 0.02) = 2.203% kept HN ALA 11 - HB3 GLU- 45 3.333% * 1.7283% (0.61 1.0 0.77 0.87) = 1.728% kept HN VAL 105 - HB2 GLU- 45 3.333% * 1.6988% (0.72 1.0 0.64 0.23) = 1.699% kept HN ALA 11 - HB2 GLU- 45 3.333% * 1.5740% (0.59 1.0 0.72 0.87) = 1.574% kept HN LYS+ 81 - HB3 GLU- 45 3.333% * 1.3483% (0.61 1.0 0.60 0.02) = 1.348% kept HN LYS+ 81 - HB2 GLU- 45 3.333% * 1.3134% (0.59 1.0 0.60 0.02) = 1.313% kept HN LEU 67 - HB2 GLU- 45 3.333% * 1.0959% (0.59 1.0 0.50 0.12) = 1.096% kept HN LEU 67 - HB3 GLU- 45 3.333% * 0.8361% (0.61 1.0 0.37 0.12) = 0.836% HN VAL 105 - HB3 GLU- 45 3.333% * 0.6416% (0.74 1.0 0.24 0.23) = 0.642% HN GLU- 45 - HB3 GLU- 54 3.333% * 0.1573% (0.14 1.0 0.31 0.02) = 0.157% HN VAL 94 - HB3 GLU- 45 3.333% * 0.0564% (0.77 1.0 0.02 0.02) = 0.056% HN GLY 58 - HB3 GLU- 45 3.333% * 0.0520% (0.71 1.0 0.02 0.02) = 0.052% HN GLY 58 - HB2 GLU- 45 3.333% * 0.0507% (0.69 1.0 0.02 0.02) = 0.051% HN GLU- 12 - HB3 GLU- 45 3.333% * 0.0368% (0.50 1.0 0.02 0.02) = 0.037% HN GLU- 12 - HB2 GLU- 45 3.333% * 0.0358% (0.49 1.0 0.02 0.02) = 0.036% HN SER 49 - HB3 GLU- 54 3.333% * 0.0156% (0.21 1.0 0.02 0.02) = 0.016% HN VAL 94 - HB3 GLU- 54 3.333% * 0.0147% (0.20 1.0 0.02 0.02) = 0.015% HN VAL 105 - HB3 GLU- 54 3.333% * 0.0141% (0.19 1.0 0.02 0.02) = 0.014% HN GLY 58 - HB3 GLU- 54 3.333% * 0.0135% (0.18 1.0 0.02 0.02) = 0.014% HN ALA 11 - HB3 GLU- 54 3.333% * 0.0116% (0.16 1.0 0.02 0.02) = 0.012% HN LYS+ 81 - HB3 GLU- 54 3.333% * 0.0116% (0.16 1.0 0.02 0.02) = 0.012% HN LEU 67 - HB3 GLU- 54 3.333% * 0.0116% (0.16 1.0 0.02 0.02) = 0.012% HN THR 106 - HB3 GLU- 45 3.333% * 0.0114% (0.15 1.0 0.02 0.02) = 0.011% HN THR 106 - HB2 GLU- 45 3.333% * 0.0111% (0.15 1.0 0.02 0.02) = 0.011% HN GLU- 12 - HB3 GLU- 54 3.333% * 0.0096% (0.13 1.0 0.02 0.02) = 0.010% HN THR 106 - HB3 GLU- 54 3.333% * 0.0030% (0.04 1.0 0.02 0.02) = 0.003% Peak 2284 (7.32, 1.46, 29.21 ppm): 14 chemical-shift based assignments, quality = 0.769, support = 3.06, residual support = 35.3: HN VAL 47 - HG13 ILE 48 7.143% * 37.1818% (0.95 3.65 22.57) = 37.182% kept HN ILE 48 - HG13 ILE 48 7.143% * 19.9700% (0.33 5.74 131.63) = 19.970% kept HN ARG+ 84 - HG13 ILE 48 7.143% * 18.4819% (0.95 1.81 1.16) = 18.482% kept QD PHE 34 - HG13 ILE 48 7.143% * 9.6142% (0.93 0.96 1.94) = 9.614% kept QE PHE 34 - HG13 ILE 48 7.143% * 7.3821% (0.58 1.19 1.94) = 7.382% kept HZ2 TRP 51 - HG13 ILE 48 7.143% * 4.0354% (0.58 0.65 0.02) = 4.035% kept HZ PHE 34 - HG13 ILE 48 7.143% * 3.3092% (0.58 0.53 1.94) = 3.309% kept HN ARG+ 84 - HD3 LYS+ 108 7.143% * 0.0050% (0.02 0.02 0.02) = 0.005% HN VAL 47 - HD3 LYS+ 108 7.143% * 0.0049% (0.02 0.02 0.02) = 0.005% QD PHE 34 - HD3 LYS+ 108 7.143% * 0.0049% (0.02 0.02 0.02) = 0.005% QE PHE 34 - HD3 LYS+ 108 7.143% * 0.0030% (0.01 0.02 0.02) = 0.003% HZ2 TRP 51 - HD3 LYS+ 108 7.143% * 0.0030% (0.01 0.02 0.02) = 0.003% HZ PHE 34 - HD3 LYS+ 108 7.143% * 0.0030% (0.01 0.02 0.02) = 0.003% HN ILE 48 - HD3 LYS+ 108 7.143% * 0.0017% (0.01 0.02 0.02) = 0.002% Peak 2285 (4.47, 2.39, 29.25 ppm): 5 chemical-shift based assignments, quality = 0.554, support = 0.983, residual support = 19.2: O HA GLU- 50 - HB3 GLU- 50 20.000% * 98.1533% (0.55 10.0 1.00 19.56) = 98.153% kept HA ILE 100 - HB3 GLU- 50 20.000% * 1.3613% (0.71 1.0 0.11 0.24) = 1.361% kept HA GLN 102 - HB3 GLU- 50 20.000% * 0.2518% (0.71 1.0 0.02 0.02) = 0.252% HA LYS+ 32 - HB3 GLU- 50 20.000% * 0.1764% (0.50 1.0 0.02 0.02) = 0.176% HA SER 77 - HB3 GLU- 50 20.000% * 0.0572% (0.16 1.0 0.02 0.02) = 0.057% 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): 11 chemical-shift based assignments, quality = 0.833, support = 2.59, residual support = 30.4: O HA THR 95 - HB THR 95 9.091% * 99.3637% (0.84 10.0 2.61 30.62) = 99.364% kept HA PRO 86 - HB THR 95 9.091% * 0.1105% (0.93 1.0 0.02 0.02) = 0.111% HA PRO 104 - HB THR 95 9.091% * 0.1084% (0.91 1.0 0.02 0.02) = 0.108% HA HIS+ 14 - HB THR 95 9.091% * 0.0994% (0.84 1.0 0.02 0.02) = 0.099% HA ASN 57 - HB THR 95 9.091% * 0.0957% (0.81 1.0 0.02 0.02) = 0.096% HA LYS+ 66 - HB THR 95 9.091% * 0.0741% (0.63 1.0 0.02 0.35) = 0.074% HA SER 88 - HB THR 95 9.091% * 0.0514% (0.43 1.0 0.02 0.02) = 0.051% HA ALA 91 - HB THR 95 9.091% * 0.0391% (0.33 1.0 0.02 0.02) = 0.039% HB THR 24 - HB THR 95 9.091% * 0.0201% (0.17 1.0 0.02 0.02) = 0.020% HA SER 27 - HB THR 95 9.091% * 0.0201% (0.17 1.0 0.02 0.02) = 0.020% HA ALA 37 - HB THR 95 9.091% * 0.0177% (0.15 1.0 0.02 0.02) = 0.018% Peak 2289 (4.28, 1.65, 29.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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): 12 chemical-shift based assignments, quality = 0.927, support = 1.26, residual support = 23.8: O T HE3 LYS+ 72 - HD3 LYS+ 72 8.333% * 50.5757% (0.96 10.0 10.00 1.54 34.74) = 50.576% kept O T HE3 LYS+ 108 - HG3 LYS+ 108 8.333% * 48.0370% (0.91 10.0 10.00 1.00 12.87) = 48.037% kept T HE3 LYS+ 108 - HD3 LYS+ 72 8.333% * 0.4957% (0.94 1.0 10.00 0.02 0.02) = 0.496% T HE3 LYS+ 72 - HG3 LYS+ 108 8.333% * 0.4901% (0.93 1.0 10.00 0.02 0.02) = 0.490% T HA1 GLY 58 - HD3 LYS+ 72 8.333% * 0.1402% (0.27 1.0 10.00 0.02 0.02) = 0.140% T HA1 GLY 58 - HG3 LYS+ 108 8.333% * 0.1358% (0.26 1.0 10.00 0.02 0.02) = 0.136% HB3 ASP- 25 - HD3 LYS+ 72 8.333% * 0.0276% (0.53 1.0 1.00 0.02 0.02) = 0.028% HB3 ASP- 25 - HG3 LYS+ 108 8.333% * 0.0267% (0.51 1.0 1.00 0.02 0.02) = 0.027% HB3 HIS+ 98 - HD3 LYS+ 72 8.333% * 0.0215% (0.41 1.0 1.00 0.02 0.02) = 0.022% HB3 HIS+ 98 - HG3 LYS+ 108 8.333% * 0.0209% (0.40 1.0 1.00 0.02 0.02) = 0.021% HD2 ARG+ 53 - HD3 LYS+ 72 8.333% * 0.0146% (0.28 1.0 1.00 0.02 0.02) = 0.015% HD2 ARG+ 53 - HG3 LYS+ 108 8.333% * 0.0141% (0.27 1.0 1.00 0.02 0.02) = 0.014% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 3 chemical-shift based assignments, quality = 0.615, support = 2.03, residual support = 1.99: T HA1 GLY 58 - HB2 GLU- 50 33.333% * 89.4650% (0.64 10.00 1.94 1.69) = 89.465% kept HG3 GLU- 45 - HB2 GLU- 50 33.333% * 8.9239% (0.38 1.00 3.23 5.30) = 8.924% kept HB3 PRO 35 - HB2 GLU- 50 33.333% * 1.6111% (0.48 1.00 0.47 0.02) = 1.611% kept Peak 2316 (2.45, 2.04, 29.30 ppm): 9 chemical-shift based assignments, quality = 0.535, support = 3.45, residual support = 51.9: O HG3 GLU- 45 - HB3 GLU- 45 11.111% * 49.5692% (0.58 10.0 3.14 55.69) = 49.569% kept O HG3 GLU- 45 - HB2 GLU- 45 11.111% * 43.4721% (0.51 10.0 4.20 55.69) = 43.472% kept HB3 PRO 35 - HB3 GLU- 45 11.111% * 2.6122% (0.52 1.0 1.17 1.17) = 2.612% kept HB3 PRO 35 - HB2 GLU- 45 11.111% * 2.6075% (0.46 1.0 1.33 1.17) = 2.607% kept HA1 GLY 58 - HB2 GLU- 45 11.111% * 0.9609% (0.64 1.0 0.35 0.02) = 0.961% HA1 GLY 58 - HB3 GLU- 45 11.111% * 0.7488% (0.73 1.0 0.24 0.02) = 0.749% HA1 GLY 58 - HB3 GLU- 54 11.111% * 0.0117% (0.14 1.0 0.02 0.02) = 0.012% HG3 GLU- 45 - HB3 GLU- 54 11.111% * 0.0093% (0.11 1.0 0.02 0.02) = 0.009% HB3 PRO 35 - HB3 GLU- 54 11.111% * 0.0084% (0.10 1.0 0.02 0.02) = 0.008% Peak 2317 (2.38, 2.39, 29.25 ppm): 1 diagonal assignment: HB3 GLU- 50 - HB3 GLU- 50 (0.59) kept Peak 2320 (2.22, 2.23, 29.34 ppm): 1 diagonal assignment: HB2 GLU- 50 - HB2 GLU- 50 (0.75) kept Peak 2325 (2.05, 2.23, 29.30 ppm): 13 chemical-shift based assignments, quality = 0.391, support = 1.82, residual support = 3.07: T HA1 GLY 58 - HB2 GLU- 50 7.692% * 38.0450% (0.11 10.00 1.94 1.69) = 38.045% kept HB2 GLU- 45 - HB2 GLU- 50 7.692% * 28.4363% (0.75 1.00 2.13 5.30) = 28.436% kept HB3 GLU- 45 - HB2 GLU- 50 7.692% * 16.6892% (0.37 1.00 2.52 5.30) = 16.689% kept HG3 PRO 86 - HB2 GLU- 50 7.692% * 5.3800% (0.74 1.00 0.41 0.70) = 5.380% kept HB3 GLU- 54 - HB2 GLU- 50 7.692% * 4.0662% (0.34 1.00 0.67 0.02) = 4.066% kept T HB3 GLU- 10 - HB2 GLU- 50 7.692% * 3.7525% (0.26 10.00 0.08 0.02) = 3.753% kept T HB3 GLU- 75 - HB2 GLU- 50 7.692% * 1.8963% (0.53 10.00 0.02 0.02) = 1.896% kept HB3 PRO 35 - HB2 GLU- 50 7.692% * 0.9905% (0.12 1.00 0.47 0.02) = 0.990% T HB3 GLU- 107 - HB2 GLU- 50 7.692% * 0.4207% (0.12 10.00 0.02 0.02) = 0.421% HB VAL 62 - HB2 GLU- 50 7.692% * 0.0930% (0.26 1.00 0.02 0.02) = 0.093% HG3 GLU- 64 - HB2 GLU- 50 7.692% * 0.0866% (0.24 1.00 0.02 0.02) = 0.087% HB3 PRO 31 - HB2 GLU- 50 7.692% * 0.0758% (0.21 1.00 0.02 0.02) = 0.076% HB ILE 101 - HB2 GLU- 50 7.692% * 0.0680% (0.19 1.00 0.02 0.02) = 0.068% Peak 2337 (1.82, 1.81, 29.24 ppm): 2 diagonal assignments: HD3 LYS+ 72 - HD3 LYS+ 72 (0.97) kept HG3 LYS+ 108 - HG3 LYS+ 108 (0.88) kept Peak 2340 (1.75, 2.38, 29.24 ppm): 4 chemical-shift based assignments, quality = 0.812, support = 1.04, residual support = 1.05: HB2 LEU 17 - HB3 GLU- 50 25.000% * 42.5042% (0.85 1.30 0.48) = 42.504% kept HB ILE 48 - HB3 GLU- 50 25.000% * 31.9077% (0.81 1.03 1.29) = 31.908% kept HB3 LEU 23 - HB3 GLU- 50 25.000% * 20.5204% (0.88 0.60 2.11) = 20.520% kept HB3 GLU- 18 - HB3 GLU- 50 25.000% * 5.0676% (0.20 0.66 0.02) = 5.068% kept Peak 2356 (1.67, 1.67, 29.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2387 (1.51, 1.81, 29.24 ppm): 10 chemical-shift based assignments, quality = 0.925, support = 2.51, residual support = 30.9: O HG3 LYS+ 72 - HD3 LYS+ 72 10.000% * 42.4285% (0.98 10.0 2.51 34.74) = 42.429% kept O HB2 LYS+ 72 - HD3 LYS+ 72 10.000% * 39.9577% (0.92 10.0 3.17 34.74) = 39.958% kept O HD3 LYS+ 108 - HG3 LYS+ 108 10.000% * 17.4733% (0.81 10.0 1.00 12.87) = 17.473% kept HG3 LYS+ 72 - HG3 LYS+ 108 10.000% * 0.0410% (0.95 1.0 0.02 0.02) = 0.041% HB2 LYS+ 72 - HG3 LYS+ 108 10.000% * 0.0386% (0.89 1.0 0.02 0.02) = 0.039% HD3 LYS+ 108 - HD3 LYS+ 72 10.000% * 0.0362% (0.83 1.0 0.02 0.02) = 0.036% QB ALA 70 - HD3 LYS+ 72 10.000% * 0.0067% (0.15 1.0 0.02 2.00) = 0.007% QB ALA 70 - HG3 LYS+ 108 10.000% * 0.0065% (0.15 1.0 0.02 0.02) = 0.006% HB3 LYS+ 44 - HD3 LYS+ 72 10.000% * 0.0059% (0.14 1.0 0.02 0.02) = 0.006% HB3 LYS+ 44 - HG3 LYS+ 108 10.000% * 0.0057% (0.13 1.0 0.02 0.02) = 0.006% Peak 2391 (1.46, 1.67, 29.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2403 (1.09, 4.00, 70.67 ppm): 3 chemical-shift based assignments, quality = 0.758, support = 2.91, residual support = 30.4: O T QG2 THR 95 - HB THR 95 33.333% * 99.1396% (0.77 10.0 10.00 2.93 30.62) = 99.140% kept QG2 THR 79 - HB THR 95 33.333% * 0.6436% (0.73 1.0 1.00 0.14 0.02) = 0.644% T QG2 THR 61 - HB THR 95 33.333% * 0.2168% (0.17 1.0 10.00 0.02 0.02) = 0.217% Peak 2407 (0.95, 2.39, 29.27 ppm): 9 chemical-shift based assignments, quality = 0.502, support = 0.212, residual support = 0.204: QD1 LEU 17 - HB3 GLU- 50 11.111% * 38.3120% (0.32 0.37 0.48) = 38.312% kept QG2 VAL 73 - HB3 GLU- 50 11.111% * 36.8275% (0.70 0.16 0.02) = 36.827% kept HG12 ILE 68 - HB3 GLU- 50 11.111% * 5.3934% (0.14 0.12 0.02) = 5.393% kept QG2 VAL 99 - HB3 GLU- 50 11.111% * 4.8751% (0.75 0.02 0.21) = 4.875% kept QG2 ILE 29 - HB3 GLU- 50 11.111% * 4.6632% (0.72 0.02 0.02) = 4.663% kept QG2 VAL 62 - HB3 GLU- 50 11.111% * 4.0450% (0.63 0.02 0.02) = 4.045% kept QG1 VAL 105 - HB3 GLU- 50 11.111% * 2.2648% (0.35 0.02 0.02) = 2.265% kept QG2 VAL 105 - HB3 GLU- 50 11.111% * 1.8959% (0.29 0.02 0.02) = 1.896% kept HB2 ARG+ 84 - HB3 GLU- 50 11.111% * 1.7231% (0.27 0.02 0.02) = 1.723% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2410 (0.91, 4.00, 70.60 ppm): 11 chemical-shift based assignments, quality = 0.668, support = 0.294, residual support = 0.245: QG2 VAL 80 - HB THR 95 9.091% * 34.0536% (0.58 0.43 0.15) = 34.054% kept QD1 LEU 67 - HB THR 95 9.091% * 21.9715% (0.94 0.17 0.16) = 21.972% kept QD1 LEU 17 - HB THR 95 9.091% * 13.9304% (0.17 0.61 1.08) = 13.930% kept QG2 VAL 40 - HB THR 95 9.091% * 13.2476% (0.86 0.11 0.02) = 13.248% kept QG1 VAL 47 - HB THR 95 9.091% * 10.4048% (0.91 0.08 0.02) = 10.405% kept QG2 VAL 87 - HB THR 95 9.091% * 2.3409% (0.86 0.02 0.02) = 2.341% kept QG1 VAL 80 - HB THR 95 9.091% * 1.4778% (0.54 0.02 0.15) = 1.478% kept HG12 ILE 68 - HB THR 95 9.091% * 1.0731% (0.39 0.02 0.02) = 1.073% kept HB2 ARG+ 84 - HB THR 95 9.091% * 0.5811% (0.21 0.02 0.02) = 0.581% QG2 VAL 105 - HB THR 95 9.091% * 0.5165% (0.19 0.02 0.02) = 0.517% QG1 VAL 105 - HB THR 95 9.091% * 0.4027% (0.15 0.02 0.02) = 0.403% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2414 (0.68, 4.00, 70.69 ppm): 8 chemical-shift based assignments, quality = 0.905, support = 2.45, residual support = 10.8: T HG12 ILE 19 - HB THR 95 12.500% * 45.5594% (0.95 10.00 2.25 9.77) = 45.559% kept T QD1 ILE 19 - HB THR 95 12.500% * 42.9063% (0.90 10.00 2.44 9.77) = 42.906% kept QG2 VAL 94 - HB THR 95 12.500% * 8.7814% (0.94 1.00 3.92 20.34) = 8.781% kept QG2 THR 96 - HB THR 95 12.500% * 1.7248% (0.30 1.00 2.40 19.27) = 1.725% kept QG2 ILE 48 - HB THR 95 12.500% * 0.9108% (0.97 1.00 0.39 0.02) = 0.911% QG2 ILE 68 - HB THR 95 12.500% * 0.0449% (0.94 1.00 0.02 0.02) = 0.045% QG1 VAL 62 - HB THR 95 12.500% * 0.0372% (0.78 1.00 0.02 0.02) = 0.037% QG2 ILE 101 - HB THR 95 12.500% * 0.0352% (0.73 1.00 0.02 0.02) = 0.035% Peak 2416 (0.70, 0.39, 29.23 ppm): 10 chemical-shift based assignments, quality = 0.827, support = 5.29, residual support = 121.3: O QG2 ILE 48 - HG12 ILE 48 10.000% * 92.1223% (0.83 10.0 5.67 131.63) = 92.122% kept QG2 THR 96 - HG12 ILE 48 10.000% * 5.5968% (0.90 1.0 1.12 1.32) = 5.597% kept QG2 ILE 101 - HG12 ILE 48 10.000% * 1.4589% (0.89 1.0 0.29 0.20) = 1.459% kept HG LEU 74 - HG12 ILE 48 10.000% * 0.3030% (0.58 1.0 0.09 0.02) = 0.303% QG1 VAL 40 - HG12 ILE 48 10.000% * 0.2980% (0.22 1.0 0.24 0.19) = 0.298% QD1 ILE 19 - HG12 ILE 48 10.000% * 0.0566% (0.51 1.0 0.02 0.02) = 0.057% QG2 VAL 94 - HG12 ILE 48 10.000% * 0.0487% (0.44 1.0 0.02 0.02) = 0.049% QG2 ILE 68 - HG12 ILE 48 10.000% * 0.0487% (0.44 1.0 0.02 0.02) = 0.049% HG12 ILE 19 - HG12 ILE 48 10.000% * 0.0448% (0.40 1.0 0.02 0.02) = 0.045% QD1 ILE 68 - HG12 ILE 48 10.000% * 0.0223% (0.20 1.0 0.02 0.02) = 0.022% Peak 2419 (0.39, 1.46, 29.22 ppm): 2 chemical-shift based assignments, quality = 0.905, support = 4.88, residual support = 131.6: O T QD1 ILE 48 - HG13 ILE 48 50.000% * 50.0000% (0.90 10.0 10.00 4.83 131.63) = 50.000% kept O T HG12 ILE 48 - HG13 ILE 48 50.000% * 50.0000% (0.90 10.0 10.00 4.93 131.63) = 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 = 2.99, residual support = 16.6: HZ PHE 34 - HD3 LYS+ 32 10.000% * 33.0284% (0.54 3.71 22.26) = 33.028% kept QE PHE 34 - HD3 LYS+ 32 10.000% * 31.3646% (0.54 3.52 22.26) = 31.365% kept HZ2 TRP 51 - HD3 LYS+ 32 10.000% * 13.7089% (0.54 1.54 1.63) = 13.709% kept HE22 GLN 102 - HD3 LYS+ 32 10.000% * 13.6911% (0.54 1.54 1.55) = 13.691% kept QD PHE 34 - HD3 LYS+ 32 10.000% * 8.1189% (0.17 2.94 22.26) = 8.119% kept HE22 GLN 102 - HD3 LYS+ 60 10.000% * 0.0204% (0.06 0.02 0.02) = 0.020% HZ2 TRP 51 - HD3 LYS+ 60 10.000% * 0.0204% (0.06 0.02 0.02) = 0.020% QE PHE 34 - HD3 LYS+ 60 10.000% * 0.0204% (0.06 0.02 0.02) = 0.020% HZ PHE 34 - HD3 LYS+ 60 10.000% * 0.0204% (0.06 0.02 0.02) = 0.020% QD PHE 34 - HD3 LYS+ 60 10.000% * 0.0063% (0.02 0.02 0.02) = 0.006% Peak 2434 (4.52, 1.58, 28.84 ppm): 10 chemical-shift based assignments, quality = 0.365, support = 0.11, residual support = 0.0223: HA ALA 103 - HD3 LYS+ 60 10.000% * 50.5820% (0.40 0.17 0.02) = 50.582% kept HA ALA 103 - HD3 LYS+ 32 10.000% * 19.2666% (0.25 0.10 0.02) = 19.267% kept HB THR 46 - HD3 LYS+ 60 10.000% * 9.7594% (0.64 0.02 0.02) = 9.759% kept HB THR 46 - HD3 LYS+ 32 10.000% * 6.1066% (0.40 0.02 0.02) = 6.107% kept HB THR 79 - HD3 LYS+ 60 10.000% * 4.8464% (0.32 0.02 0.02) = 4.846% kept HB THR 79 - HD3 LYS+ 32 10.000% * 3.0325% (0.20 0.02 0.02) = 3.032% kept HA SER 77 - HD3 LYS+ 60 10.000% * 1.9704% (0.13 0.02 0.02) = 1.970% kept HA LEU 17 - HD3 LYS+ 60 10.000% * 1.9704% (0.13 0.02 0.02) = 1.970% kept HA SER 77 - HD3 LYS+ 32 10.000% * 1.2329% (0.08 0.02 0.02) = 1.233% kept HA LEU 17 - HD3 LYS+ 32 10.000% * 1.2329% (0.08 0.02 0.21) = 1.233% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2435 (3.10, 3.08, 28.99 ppm): 3 chemical-shift based assignments, quality = 0.0481, support = 0.932, residual support = 4.09: HA1 GLY 58 - HB3 TRP 51 33.333% * 90.4479% (0.04 1.03 4.39) = 90.448% kept HA VAL 47 - HB3 TRP 51 33.333% * 5.4507% (0.13 0.02 2.08) = 5.451% kept HB3 ASP- 25 - HB3 TRP 51 33.333% * 4.1013% (0.10 0.02 0.02) = 4.101% kept 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): 3 diagonal assignments: HB3 GLU- 54 - HB3 GLU- 54 (0.22) kept HB2 GLU- 45 - HB2 GLU- 45 (0.20) kept HB3 GLU- 45 - HB3 GLU- 45 (0.17) kept Peak 2440 (1.59, 1.58, 28.87 ppm): 2 diagonal assignments: HD3 LYS+ 60 - HD3 LYS+ 60 (0.28) kept HD3 LYS+ 32 - HD3 LYS+ 32 (0.23) kept Peak 2441 (8.27, 4.15, 70.06 ppm): 6 chemical-shift based assignments, quality = 0.385, support = 2.41, residual support = 15.9: O HN THR 106 - HB THR 106 16.667% * 94.6003% (0.37 10.0 2.51 16.80) = 94.600% kept HN GLN 16 - HB THR 106 16.667% * 5.0727% (0.63 1.0 0.63 0.52) = 5.073% kept HN ASN 89 - HB THR 106 16.667% * 0.1660% (0.65 1.0 0.02 0.02) = 0.166% HN ASP- 28 - HB THR 106 16.667% * 0.1018% (0.40 1.0 0.02 0.02) = 0.102% HN ALA 91 - HB THR 106 16.667% * 0.0315% (0.12 1.0 0.02 0.02) = 0.031% HN GLU- 12 - HB THR 106 16.667% * 0.0277% (0.11 1.0 0.02 0.02) = 0.028% Peak 2442 (7.87, 4.04, 70.02 ppm): 4 chemical-shift based assignments, quality = 0.648, support = 3.16, residual support = 19.9: O HN THR 38 - HB THR 38 25.000% * 99.0274% (0.65 10.0 3.19 20.13) = 99.027% kept HN LEU 90 - HB THR 38 25.000% * 0.7862% (0.65 1.0 0.16 0.02) = 0.786% HD22 ASN 89 - HB THR 38 25.000% * 0.1080% (0.71 1.0 0.02 0.02) = 0.108% HN LYS+ 44 - HB THR 38 25.000% * 0.0784% (0.52 1.0 0.02 0.02) = 0.078% Peak 2445 (4.36, 1.57, 28.63 ppm): 8 chemical-shift based assignments, quality = 0.644, support = 2.5, residual support = 20.9: HA LYS+ 60 - HD3 LYS+ 60 12.500% * 49.5895% (0.58 3.51 31.24) = 49.589% kept HB THR 61 - HD3 LYS+ 60 12.500% * 36.8128% (0.77 1.94 14.63) = 36.813% kept HA ALA 37 - HD3 LYS+ 60 12.500% * 5.6076% (0.47 0.48 0.02) = 5.608% kept HA2 GLY 26 - HD3 LYS+ 60 12.500% * 5.1985% (0.82 0.26 0.02) = 5.199% kept HA ALA 91 - HD3 LYS+ 60 12.500% * 1.5193% (0.26 0.24 0.02) = 1.519% kept HA SER 27 - HD3 LYS+ 60 12.500% * 0.8824% (0.44 0.08 0.02) = 0.882% HA TRP 51 - HD3 LYS+ 60 12.500% * 0.2985% (0.61 0.02 0.02) = 0.299% HA SER 88 - HD3 LYS+ 60 12.500% * 0.0915% (0.19 0.02 0.02) = 0.092% 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, 1.57, 28.65 ppm): 10 chemical-shift based assignments, quality = 0.669, support = 0.978, residual support = 30.3: O T HE3 LYS+ 60 - HD3 LYS+ 60 10.000% * 96.9980% (0.67 10.0 10.00 1.00 31.24) = 96.998% kept HA1 GLY 58 - HD3 LYS+ 60 10.000% * 1.6428% (0.58 1.0 1.00 0.39 1.03) = 1.643% kept HB2 HIS+ 98 - HD3 LYS+ 60 10.000% * 1.0777% (0.88 1.0 1.00 0.17 0.02) = 1.078% kept HE3 LYS+ 81 - HD3 LYS+ 60 10.000% * 0.1138% (0.79 1.0 1.00 0.02 0.02) = 0.114% HB3 ASN 57 - HD3 LYS+ 60 10.000% * 0.1060% (0.73 1.0 1.00 0.02 0.02) = 0.106% T HE3 LYS+ 60 - HD3 LYS+ 32 10.000% * 0.0428% (0.03 1.0 10.00 0.02 0.02) = 0.043% HB2 HIS+ 98 - HD3 LYS+ 32 10.000% * 0.0056% (0.04 1.0 1.00 0.02 0.12) = 0.006% HE3 LYS+ 81 - HD3 LYS+ 32 10.000% * 0.0050% (0.03 1.0 1.00 0.02 0.82) = 0.005% HB3 ASN 57 - HD3 LYS+ 32 10.000% * 0.0047% (0.03 1.0 1.00 0.02 0.02) = 0.005% HA1 GLY 58 - HD3 LYS+ 32 10.000% * 0.0037% (0.03 1.0 1.00 0.02 0.02) = 0.004% 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 2464 (2.18, 1.58, 28.51 ppm): 14 chemical-shift based assignments, quality = 0.293, support = 0.459, residual support = 0.2: HB3 PRO 104 - HD3 LYS+ 60 7.143% * 29.8342% (0.38 0.64 0.02) = 29.834% kept HG2 PRO 104 - HD3 LYS+ 60 7.143% * 20.1667% (0.28 0.59 0.02) = 20.167% kept HG2 GLN 102 - HD3 LYS+ 60 7.143% * 11.2434% (0.40 0.23 0.02) = 11.243% kept HB VAL 99 - HD3 LYS+ 60 7.143% * 11.0117% (0.37 0.24 0.18) = 11.012% kept HB3 GLU- 75 - HD3 LYS+ 60 7.143% * 10.6999% (0.15 0.60 0.97) = 10.700% kept HA1 GLY 58 - HD3 LYS+ 60 7.143% * 6.0180% (0.12 0.39 1.03) = 6.018% kept HB3 PRO 35 - HD3 LYS+ 60 7.143% * 4.7232% (0.25 0.15 0.02) = 4.723% kept HB VAL 47 - HD3 LYS+ 60 7.143% * 2.1601% (0.10 0.17 0.02) = 2.160% kept HB2 ASP- 82 - HD3 LYS+ 60 7.143% * 0.9922% (0.40 0.02 0.02) = 0.992% HG2 GLU- 64 - HD3 LYS+ 60 7.143% * 0.9752% (0.40 0.02 0.02) = 0.975% HG2 GLN 16 - HD3 LYS+ 60 7.143% * 0.9576% (0.39 0.02 0.02) = 0.958% HG3 GLU- 64 - HD3 LYS+ 60 7.143% * 0.9116% (0.37 0.02 0.02) = 0.912% HG3 GLN 16 - HD3 LYS+ 60 7.143% * 0.1531% (0.06 0.02 0.02) = 0.153% HB3 LYS+ 78 - HD3 LYS+ 60 7.143% * 0.1531% (0.06 0.02 0.02) = 0.153% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 2465 (1.86, 1.58, 28.50 ppm): 6 chemical-shift based assignments, quality = 0.298, support = 2.91, residual support = 29.1: O HB3 LYS+ 60 - HD3 LYS+ 60 16.667% * 92.1941% (0.30 10.0 3.03 31.24) = 92.194% kept HB2 PRO 104 - HD3 LYS+ 60 16.667% * 4.7087% (0.33 1.0 0.94 0.02) = 4.709% kept HB2 PRO 59 - HD3 LYS+ 60 16.667% * 2.6076% (0.07 1.0 2.59 10.43) = 2.608% kept HB2 LYS+ 66 - HD3 LYS+ 60 16.667% * 0.2793% (0.17 1.0 0.11 0.02) = 0.279% HB VAL 94 - HD3 LYS+ 60 16.667% * 0.1141% (0.38 1.0 0.02 0.02) = 0.114% HB3 LYS+ 72 - HD3 LYS+ 60 16.667% * 0.0962% (0.32 1.0 0.02 0.02) = 0.096% Peak 2466 (1.63, 0.92, 28.65 ppm): 7 chemical-shift based assignments, quality = 0.209, support = 4.41, residual support = 64.6: O T HB ILE 68 - HG12 ILE 68 14.286% * 70.2086% (0.21 10.0 10.00 5.92 91.50) = 70.209% kept T HG LEU 43 - HG12 ILE 68 14.286% * 29.5504% (0.21 1.0 10.00 0.84 1.23) = 29.550% kept HG LEU 23 - HG12 ILE 68 14.286% * 0.0716% (0.21 1.0 1.00 0.02 0.02) = 0.072% HG12 ILE 101 - HG12 ILE 68 14.286% * 0.0710% (0.21 1.0 1.00 0.02 0.02) = 0.071% HG3 LYS+ 78 - HG12 ILE 68 14.286% * 0.0574% (0.17 1.0 1.00 0.02 0.02) = 0.057% HB3 ARG+ 22 - HG12 ILE 68 14.286% * 0.0269% (0.08 1.0 1.00 0.02 0.11) = 0.027% HD3 LYS+ 32 - HG12 ILE 68 14.286% * 0.0142% (0.04 1.0 1.00 0.02 0.02) = 0.014% 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): 10 chemical-shift based assignments, quality = 0.676, support = 2.25, residual support = 18.1: O QG2 THR 38 - HB THR 38 10.000% * 88.6467% (0.68 10.0 2.41 20.13) = 88.647% kept QB ALA 37 - HB THR 38 10.000% * 5.7028% (0.68 1.0 1.29 4.67) = 5.703% kept QB ALA 91 - HB THR 38 10.000% * 4.2089% (0.72 1.0 0.89 0.48) = 4.209% kept HG LEU 67 - HB THR 38 10.000% * 1.0615% (0.54 1.0 0.30 0.12) = 1.061% kept HD3 LYS+ 44 - HB THR 38 10.000% * 0.1002% (0.77 1.0 0.02 0.02) = 0.100% HG3 LYS+ 55 - HB THR 38 10.000% * 0.0742% (0.57 1.0 0.02 0.02) = 0.074% HG13 ILE 100 - HB THR 38 10.000% * 0.0661% (0.51 1.0 0.02 0.02) = 0.066% QB ALA 93 - HB THR 38 10.000% * 0.0661% (0.51 1.0 0.02 0.02) = 0.066% HG LEU 90 - HB THR 38 10.000% * 0.0420% (0.32 1.0 0.02 0.02) = 0.042% HD3 LYS+ 20 - HB THR 38 10.000% * 0.0315% (0.24 1.0 0.02 0.29) = 0.032% Peak 2473 (1.42, 1.57, 28.60 ppm): 10 chemical-shift based assignments, quality = 0.59, support = 0.47, residual support = 0.244: HG13 ILE 100 - HD3 LYS+ 60 10.000% * 19.8273% (0.55 0.69 1.08) = 19.827% kept HG LEU 67 - HD3 LYS+ 60 10.000% * 17.9411% (0.58 0.59 0.02) = 17.941% kept HD3 LYS+ 44 - HD3 LYS+ 60 10.000% * 15.8806% (0.71 0.42 0.11) = 15.881% kept QG2 THR 38 - HD3 LYS+ 60 10.000% * 15.7490% (0.60 0.50 0.02) = 15.749% kept QB ALA 37 - HD3 LYS+ 60 10.000% * 9.4868% (0.70 0.26 0.02) = 9.487% kept QB ALA 91 - HD3 LYS+ 60 10.000% * 8.2352% (0.65 0.24 0.02) = 8.235% kept QB ALA 93 - HD3 LYS+ 60 10.000% * 6.4270% (0.55 0.22 0.02) = 6.427% kept HG LEU 90 - HD3 LYS+ 60 10.000% * 5.6424% (0.26 0.42 0.02) = 5.642% kept HG3 LYS+ 55 - HD3 LYS+ 60 10.000% * 0.5130% (0.49 0.02 0.02) = 0.513% HD3 LYS+ 20 - HD3 LYS+ 60 10.000% * 0.2976% (0.28 0.02 0.12) = 0.298% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 2474 (1.17, 4.16, 70.07 ppm): 5 chemical-shift based assignments, quality = 0.936, support = 1.7, residual support = 16.8: O T QG2 THR 106 - HB THR 106 20.000% * 99.7048% (0.94 10.0 10.00 1.70 16.80) = 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 2477 (1.16, 1.58, 28.63 ppm): 6 chemical-shift based assignments, quality = 0.614, support = 1.73, residual support = 6.97: HG3 PRO 59 - HD3 LYS+ 60 16.667% * 66.1952% (0.67 2.31 10.43) = 66.195% kept QB ALA 33 - HD3 LYS+ 60 16.667% * 16.9751% (0.50 0.80 0.31) = 16.975% kept HB2 LEU 43 - HD3 LYS+ 60 16.667% * 10.6221% (0.57 0.44 0.13) = 10.622% kept QG2 THR 106 - HD3 LYS+ 60 16.667% * 4.7407% (0.50 0.22 0.02) = 4.741% kept HG3 LYS+ 32 - HD3 LYS+ 60 16.667% * 1.2267% (0.15 0.19 0.02) = 1.227% kept HB2 LEU 74 - HD3 LYS+ 60 16.667% * 0.2402% (0.28 0.02 0.29) = 0.240% Peak 2478 (0.93, 1.58, 28.57 ppm): 10 chemical-shift based assignments, quality = 0.371, support = 0.427, residual support = 0.184: QG2 VAL 105 - HD3 LYS+ 60 10.000% * 31.9474% (0.45 0.60 0.13) = 31.947% kept QG2 VAL 62 - HD3 LYS+ 60 10.000% * 16.6854% (0.36 0.39 0.40) = 16.685% kept HG12 ILE 68 - HD3 LYS+ 60 10.000% * 14.9038% (0.39 0.32 0.25) = 14.904% kept QG1 VAL 105 - HD3 LYS+ 60 10.000% * 13.1502% (0.45 0.25 0.13) = 13.150% kept QG2 ILE 29 - HD3 LYS+ 60 10.000% * 10.4951% (0.29 0.30 0.02) = 10.495% kept QG2 VAL 99 - HD3 LYS+ 60 10.000% * 9.2295% (0.12 0.62 0.18) = 9.230% kept QD1 LEU 17 - HD3 LYS+ 60 10.000% * 1.0665% (0.45 0.02 0.02) = 1.066% kept HB2 ARG+ 84 - HD3 LYS+ 60 10.000% * 1.0570% (0.44 0.02 0.02) = 1.057% kept QG2 VAL 73 - HD3 LYS+ 60 10.000% * 0.7326% (0.31 0.02 0.02) = 0.733% QG2 VAL 80 - HD3 LYS+ 60 10.000% * 0.7326% (0.31 0.02 0.02) = 0.733% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 2479 (0.91, 4.04, 70.01 ppm): 10 chemical-shift based assignments, quality = 0.505, support = 0.572, residual support = 0.739: QG2 VAL 40 - HB THR 38 10.000% * 25.6223% (0.56 0.71 0.71) = 25.622% kept QG1 VAL 80 - HB THR 38 10.000% * 20.1948% (0.37 0.85 1.82) = 20.195% kept QD1 LEU 67 - HB THR 38 10.000% * 19.1723% (0.60 0.49 0.12) = 19.172% kept QG2 VAL 87 - HB THR 38 10.000% * 15.2439% (0.56 0.42 0.02) = 15.244% kept QG1 VAL 47 - HB THR 38 10.000% * 9.0464% (0.59 0.24 0.02) = 9.046% kept QG2 VAL 80 - HB THR 38 10.000% * 8.9044% (0.34 0.40 1.82) = 8.904% kept HG12 ILE 68 - HB THR 38 10.000% * 1.4034% (0.23 0.10 0.02) = 1.403% kept HB2 ARG+ 84 - HB THR 38 10.000% * 0.1548% (0.12 0.02 0.02) = 0.155% QG2 VAL 105 - HB THR 38 10.000% * 0.1370% (0.11 0.02 0.02) = 0.137% QD1 LEU 17 - HB THR 38 10.000% * 0.1207% (0.09 0.02 0.02) = 0.121% 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): 10 chemical-shift based assignments, quality = 0.274, support = 0.623, residual support = 0.422: QG2 THR 96 - HD3 LYS+ 60 10.000% * 23.5867% (0.32 0.77 0.60) = 23.587% kept QG2 ILE 48 - HD3 LYS+ 60 10.000% * 22.8364% (0.32 0.74 0.89) = 22.836% kept QG2 ILE 68 - HD3 LYS+ 60 10.000% * 16.9192% (0.22 0.81 0.25) = 16.919% kept QG2 ILE 101 - HD3 LYS+ 60 10.000% * 10.2412% (0.34 0.32 0.02) = 10.241% kept HG LEU 74 - HD3 LYS+ 60 10.000% * 10.1701% (0.17 0.65 0.29) = 10.170% kept QD1 ILE 19 - HD3 LYS+ 60 10.000% * 5.8099% (0.25 0.25 0.02) = 5.810% kept QG2 VAL 94 - HD3 LYS+ 60 10.000% * 4.9187% (0.22 0.23 0.02) = 4.919% kept HG12 ILE 19 - HD3 LYS+ 60 10.000% * 4.6141% (0.21 0.24 0.02) = 4.614% kept QG1 VAL 62 - HD3 LYS+ 60 10.000% * 0.8037% (0.06 0.14 0.40) = 0.804% QG1 VAL 40 - HD3 LYS+ 60 10.000% * 0.0999% (0.05 0.02 0.02) = 0.100% Peak 2482 (0.62, 1.58, 28.44 ppm): 2 chemical-shift based assignments, quality = 0.081, support = 0.687, residual support = 0.783: QG2 ILE 48 - HD3 LYS+ 60 50.000% * 85.7197% (0.09 0.74 0.89) = 85.720% kept QD1 LEU 23 - HD3 LYS+ 60 50.000% * 14.2803% (0.03 0.34 0.12) = 14.280% kept Not enough quality. Peak unassigned. Peak 2483 (9.31, 1.62, 28.17 ppm): 2 chemical-shift based assignments, quality = 0.624, support = 3.07, residual support = 73.7: HN LEU 23 - HG LEU 23 50.000% * 56.2118% (0.44 4.16 119.42) = 56.212% kept HN ILE 29 - HG LEU 23 50.000% * 43.7882% (0.86 1.67 14.94) = 43.788% kept Peak 2485 (4.99, 1.38, 28.44 ppm): 4 chemical-shift based assignments, quality = 0.721, support = 4.51, residual support = 82.9: O HA ILE 68 - HG13 ILE 68 25.000% * 89.6884% (0.74 10.0 4.71 91.50) = 89.688% kept HA SER 69 - HG13 ILE 68 25.000% * 10.1949% (0.60 1.0 2.78 7.90) = 10.195% kept HA PRO 31 - HG13 ILE 68 25.000% * 0.0913% (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): 5 chemical-shift based assignments, quality = 0.82, support = 5.53, residual support = 76.7: O HA ILE 68 - HG12 ILE 68 20.000% * 82.4441% (0.82 10.0 5.98 91.50) = 82.444% kept HA SER 69 - HG12 ILE 68 20.000% * 16.4769% (0.89 1.0 3.67 7.90) = 16.477% kept HA MET 97 - HG12 ILE 68 20.000% * 0.9767% (0.42 1.0 0.46 0.46) = 0.977% HA PRO 31 - HG12 ILE 68 20.000% * 0.0877% (0.87 1.0 0.02 0.02) = 0.088% HA ALA 33 - HG12 ILE 68 20.000% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% Peak 2487 (4.51, 2.91, 28.20 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2491 (2.92, 2.91, 28.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2495 (1.67, 0.68, 28.31 ppm): 8 chemical-shift based assignments, quality = 0.737, support = 4.59, residual support = 82.0: O T HG13 ILE 19 - HG12 ILE 19 12.500% * 90.2354% (0.73 10.0 10.00 4.94 90.57) = 90.235% kept HB3 MET 97 - HG12 ILE 19 12.500% * 8.3054% (0.83 1.0 1.00 1.62 3.69) = 8.305% kept T HD3 LYS+ 55 - HG12 ILE 19 12.500% * 1.0242% (0.83 1.0 10.00 0.02 0.02) = 1.024% kept HB3 LYS+ 81 - HG12 ILE 19 12.500% * 0.1170% (0.95 1.0 1.00 0.02 0.02) = 0.117% HG3 ARG+ 84 - HG12 ILE 19 12.500% * 0.1157% (0.94 1.0 1.00 0.02 0.02) = 0.116% HB ILE 100 - HG12 ILE 19 12.500% * 0.0902% (0.73 1.0 1.00 0.02 0.02) = 0.090% HB3 LYS+ 66 - HG12 ILE 19 12.500% * 0.0857% (0.69 1.0 1.00 0.02 0.02) = 0.086% HB3 ARG+ 22 - HG12 ILE 19 12.500% * 0.0263% (0.21 1.0 1.00 0.02 0.53) = 0.026% Peak 2497 (1.38, 0.92, 28.42 ppm): 13 chemical-shift based assignments, quality = 0.812, support = 4.34, residual support = 88.0: O HG13 ILE 68 - HG12 ILE 68 7.692% * 94.5844% (0.84 10.0 4.46 91.50) = 94.584% kept HG LEU 67 - HG12 ILE 68 7.692% * 4.6610% (0.32 1.0 2.63 31.78) = 4.661% kept HD3 LYS+ 20 - HG12 ILE 68 7.692% * 0.3384% (0.64 1.0 0.09 0.14) = 0.338% QG2 THR 39 - HG12 ILE 68 7.692% * 0.0895% (0.80 1.0 0.02 0.02) = 0.089% HG2 LYS+ 78 - HG12 ILE 68 7.692% * 0.0757% (0.68 1.0 0.02 0.02) = 0.076% QB ALA 11 - HG12 ILE 68 7.692% * 0.0460% (0.41 1.0 0.02 0.02) = 0.046% HB3 LYS+ 20 - HG12 ILE 68 7.692% * 0.0424% (0.38 1.0 0.02 0.14) = 0.042% QB ALA 93 - HG12 ILE 68 7.692% * 0.0389% (0.35 1.0 0.02 0.02) = 0.039% HG13 ILE 100 - HG12 ILE 68 7.692% * 0.0389% (0.35 1.0 0.02 0.18) = 0.039% HB3 LEU 17 - HG12 ILE 68 7.692% * 0.0263% (0.23 1.0 0.02 0.02) = 0.026% QB ALA 37 - HG12 ILE 68 7.692% * 0.0211% (0.19 1.0 0.02 0.02) = 0.021% HG3 ARG+ 22 - HG12 ILE 68 7.692% * 0.0187% (0.17 1.0 0.02 0.11) = 0.019% HG3 LYS+ 81 - HG12 ILE 68 7.692% * 0.0187% (0.17 1.0 0.02 0.02) = 0.019% Peak 2498 (0.91, 1.39, 28.32 ppm): 22 chemical-shift based assignments, quality = 0.698, support = 4.2, residual support = 75.4: O HG12 ILE 68 - HG13 ILE 68 4.545% * 75.9091% (0.68 10.0 4.46 91.50) = 75.909% kept QD1 LEU 67 - HG13 ILE 68 4.545% * 18.6850% (0.80 1.0 4.22 31.78) = 18.685% kept QG2 VAL 40 - HG13 ILE 68 4.545% * 1.9102% (0.64 1.0 0.53 0.02) = 1.910% kept QG1 VAL 47 - HG13 ILE 68 4.545% * 1.5755% (0.72 1.0 0.39 0.02) = 1.575% kept QG2 VAL 105 - HG13 ILE 68 4.545% * 1.5041% (0.41 1.0 0.66 2.25) = 1.504% kept QG2 VAL 80 - HG13 ILE 68 4.545% * 0.0959% (0.86 1.0 0.02 0.02) = 0.096% QG2 VAL 87 - HG13 ILE 68 4.545% * 0.0715% (0.64 1.0 0.02 0.02) = 0.071% HB2 ARG+ 84 - HG13 ILE 68 4.545% * 0.0495% (0.45 1.0 0.02 0.02) = 0.050% QD1 LEU 17 - HG13 ILE 68 4.545% * 0.0415% (0.37 1.0 0.02 0.02) = 0.041% QG1 VAL 105 - HG13 ILE 68 4.545% * 0.0377% (0.34 1.0 0.02 2.25) = 0.038% QG1 VAL 80 - HG13 ILE 68 4.545% * 0.0341% (0.31 1.0 0.02 0.02) = 0.034% QG2 VAL 80 - HG13 ILE 100 4.545% * 0.0119% (0.11 1.0 0.02 0.02) = 0.012% QD1 LEU 67 - HG13 ILE 100 4.545% * 0.0110% (0.10 1.0 0.02 4.71) = 0.011% QG1 VAL 47 - HG13 ILE 100 4.545% * 0.0100% (0.09 1.0 0.02 0.02) = 0.010% HG12 ILE 68 - HG13 ILE 100 4.545% * 0.0094% (0.09 1.0 0.02 0.18) = 0.009% QG2 VAL 87 - HG13 ILE 100 4.545% * 0.0089% (0.08 1.0 0.02 0.02) = 0.009% QG2 VAL 40 - HG13 ILE 100 4.545% * 0.0089% (0.08 1.0 0.02 0.02) = 0.009% HB2 ARG+ 84 - HG13 ILE 100 4.545% * 0.0062% (0.06 1.0 0.02 0.02) = 0.006% QG2 VAL 105 - HG13 ILE 100 4.545% * 0.0056% (0.05 1.0 0.02 0.02) = 0.006% QD1 LEU 17 - HG13 ILE 100 4.545% * 0.0052% (0.05 1.0 0.02 0.02) = 0.005% QG1 VAL 105 - HG13 ILE 100 4.545% * 0.0047% (0.04 1.0 0.02 0.02) = 0.005% QG1 VAL 80 - HG13 ILE 100 4.545% * 0.0042% (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): 8 chemical-shift based assignments, quality = 0.86, support = 4.2, residual support = 85.8: O QD1 ILE 68 - HG12 ILE 68 12.500% * 93.7113% (0.88 10.0 4.41 91.50) = 93.711% kept HG LEU 74 - HG12 ILE 68 12.500% * 3.4635% (0.61 1.0 1.07 2.28) = 3.464% kept QG2 ILE 48 - HG12 ILE 68 12.500% * 2.5662% (0.58 1.0 0.84 0.02) = 2.566% kept QG1 VAL 40 - HG12 ILE 68 12.500% * 0.0931% (0.87 1.0 0.02 0.02) = 0.093% HG3 LYS+ 66 - HG12 ILE 68 12.500% * 0.0815% (0.76 1.0 0.02 0.02) = 0.081% QG2 ILE 101 - HG12 ILE 68 12.500% * 0.0470% (0.44 1.0 0.02 0.02) = 0.047% QG2 THR 96 - HG12 ILE 68 12.500% * 0.0209% (0.20 1.0 0.02 0.02) = 0.021% HG3 LYS+ 44 - HG12 ILE 68 12.500% * 0.0164% (0.15 1.0 0.02 0.02) = 0.016% Peak 2501 (0.71, 3.92, 69.55 ppm): 10 chemical-shift based assignments, quality = 0.726, support = 2.24, residual support = 22.4: O QG2 THR 96 - HB THR 96 10.000% * 94.2364% (0.75 10.0 2.33 23.67) = 94.236% kept QD1 ILE 19 - HB THR 96 10.000% * 2.1340% (0.34 1.0 1.00 2.53) = 2.134% kept HG12 ILE 19 - HB THR 96 10.000% * 1.4455% (0.26 1.0 0.89 2.53) = 1.446% kept QG2 VAL 94 - HB THR 96 10.000% * 1.2454% (0.29 1.0 0.70 0.63) = 1.245% kept QG2 ILE 101 - HB THR 96 10.000% * 0.3906% (0.74 1.0 0.08 0.02) = 0.391% QG2 ILE 48 - HB THR 96 10.000% * 0.3780% (0.68 1.0 0.09 1.32) = 0.378% HG LEU 74 - HB THR 96 10.000% * 0.0727% (0.58 1.0 0.02 0.02) = 0.073% QG2 ILE 68 - HB THR 96 10.000% * 0.0357% (0.29 1.0 0.02 0.02) = 0.036% QG1 VAL 40 - HB THR 96 10.000% * 0.0324% (0.26 1.0 0.02 0.02) = 0.032% QD1 ILE 68 - HB THR 96 10.000% * 0.0293% (0.23 1.0 0.02 0.02) = 0.029% Peak 2502 (0.68, 1.68, 28.25 ppm): 16 chemical-shift based assignments, quality = 0.85, support = 5.03, residual support = 87.4: O T HG12 ILE 19 - HG13 ILE 19 6.250% * 49.7049% (0.88 10.0 10.00 4.94 90.57) = 49.705% kept O T QD1 ILE 19 - HG13 ILE 19 6.250% * 46.8104% (0.83 10.0 10.00 5.43 90.57) = 46.810% kept QG2 VAL 94 - HG13 ILE 19 6.250% * 3.0093% (0.87 1.0 1.00 1.23 0.17) = 3.009% kept T HG12 ILE 19 - HD3 LYS+ 55 6.250% * 0.1156% (0.20 1.0 10.00 0.02 0.02) = 0.116% T QD1 ILE 19 - HD3 LYS+ 55 6.250% * 0.1089% (0.19 1.0 10.00 0.02 0.02) = 0.109% QG2 ILE 48 - HG13 ILE 19 6.250% * 0.0507% (0.90 1.0 1.00 0.02 0.02) = 0.051% QG2 ILE 68 - HG13 ILE 19 6.250% * 0.0489% (0.87 1.0 1.00 0.02 0.02) = 0.049% QG1 VAL 62 - HG13 ILE 19 6.250% * 0.0406% (0.72 1.0 1.00 0.02 0.02) = 0.041% QG2 ILE 101 - HG13 ILE 19 6.250% * 0.0384% (0.68 1.0 1.00 0.02 0.02) = 0.038% QG2 THR 96 - HG13 ILE 19 6.250% * 0.0157% (0.28 1.0 1.00 0.02 2.53) = 0.016% QG2 ILE 48 - HD3 LYS+ 55 6.250% * 0.0118% (0.21 1.0 1.00 0.02 0.02) = 0.012% QG2 VAL 94 - HD3 LYS+ 55 6.250% * 0.0114% (0.20 1.0 1.00 0.02 0.02) = 0.011% QG2 ILE 68 - HD3 LYS+ 55 6.250% * 0.0114% (0.20 1.0 1.00 0.02 0.55) = 0.011% QG1 VAL 62 - HD3 LYS+ 55 6.250% * 0.0094% (0.17 1.0 1.00 0.02 0.02) = 0.009% QG2 ILE 101 - HD3 LYS+ 55 6.250% * 0.0089% (0.16 1.0 1.00 0.02 0.02) = 0.009% QG2 THR 96 - HD3 LYS+ 55 6.250% * 0.0036% (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): 1 chemical-shift based assignment, quality = 0.988, support = 4.7, residual support = 119.4: O T QD2 LEU 23 - HG LEU 23 100.000% *100.0000% (0.99 10.0 10.00 4.70 119.42) = 100.000% kept Peak 2505 (0.01, 0.68, 28.20 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 5.97, residual support = 90.6: O T QG2 ILE 19 - HG12 ILE 19 100.000% *100.0000% (0.76 10.0 10.00 5.97 90.57) = 100.000% kept Peak 2506 (8.94, 3.92, 69.46 ppm): 5 chemical-shift based assignments, quality = 0.891, support = 3.14, residual support = 21.8: O HN THR 96 - HB THR 96 20.000% * 91.0198% (0.93 10.0 3.26 23.67) = 91.020% kept HN MET 97 - HB THR 96 20.000% * 5.3511% (0.38 1.0 2.83 4.30) = 5.351% kept HN ARG+ 22 - HB THR 96 20.000% * 2.9219% (0.90 1.0 0.66 0.02) = 2.922% kept HN LEU 17 - HB THR 96 20.000% * 0.6155% (0.57 1.0 0.22 0.02) = 0.616% HN PHE 21 - HB THR 96 20.000% * 0.0916% (0.93 1.0 0.02 0.02) = 0.092% 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): 3 chemical-shift based assignments, quality = 0.295, support = 2.8, residual support = 23.6: O HA THR 96 - HB THR 96 33.333% * 99.7457% (0.30 10.0 2.81 23.67) = 99.746% kept HB THR 39 - HB THR 96 33.333% * 0.1892% (0.56 1.0 0.02 0.02) = 0.189% HA LEU 23 - HB THR 96 33.333% * 0.0651% (0.19 1.0 0.02 0.02) = 0.065% Peak 2509 (4.48, 1.22, 28.01 ppm): 6 chemical-shift based assignments, quality = 0.87, support = 5.13, residual support = 68.9: O HA ILE 100 - HG12 ILE 100 16.667% * 97.7139% (0.88 10.0 5.25 70.49) = 97.714% kept HA GLN 102 - HG12 ILE 100 16.667% * 1.5756% (0.88 1.0 0.32 0.13) = 1.576% kept HA GLU- 50 - HG12 ILE 100 16.667% * 0.5291% (0.39 1.0 0.24 0.24) = 0.529% HA LYS+ 32 - HG12 ILE 100 16.667% * 0.1022% (0.92 1.0 0.02 0.02) = 0.102% HA SER 77 - HG12 ILE 100 16.667% * 0.0557% (0.50 1.0 0.02 0.02) = 0.056% HB THR 79 - HG12 ILE 100 16.667% * 0.0236% (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): 11 chemical-shift based assignments, quality = 0.641, support = 2.39, residual support = 7.82: HB3 LYS+ 66 - QD2 LEU 67 9.091% * 54.1724% (0.78 3.01 7.53) = 54.172% kept HB3 ARG+ 22 - QD2 LEU 67 9.091% * 15.4384% (0.83 0.81 0.13) = 15.438% kept HG3 ARG+ 84 - QD2 LEU 67 9.091% * 11.3506% (0.48 1.04 0.02) = 11.351% kept HB ILE 68 - QD2 LEU 67 9.091% * 10.5040% (0.12 3.74 31.78) = 10.504% kept HG LEU 43 - QD2 LEU 67 9.091% * 5.9255% (0.12 2.11 4.82) = 5.925% kept HB ILE 100 - QD2 LEU 67 9.091% * 1.8871% (0.75 0.11 4.71) = 1.887% kept HB3 MET 97 - QD2 LEU 67 9.091% * 0.3013% (0.66 0.02 0.02) = 0.301% HB3 LYS+ 81 - QD2 LEU 67 9.091% * 0.2020% (0.44 0.02 0.02) = 0.202% HG LEU 23 - QD2 LEU 67 9.091% * 0.0821% (0.18 0.02 0.02) = 0.082% HD3 LYS+ 55 - QD2 LEU 67 9.091% * 0.0727% (0.16 0.02 0.02) = 0.073% HG12 ILE 101 - QD2 LEU 67 9.091% * 0.0640% (0.14 0.02 0.02) = 0.064% Peak 2523 (1.40, 1.22, 28.00 ppm): 12 chemical-shift based assignments, quality = 0.949, support = 3.47, residual support = 68.3: O HG13 ILE 100 - HG12 ILE 100 8.333% * 96.9490% (0.95 10.0 3.57 70.49) = 96.949% kept QB ALA 93 - HG12 ILE 100 8.333% * 2.5652% (0.95 1.0 0.53 0.02) = 2.565% kept HG LEU 67 - HG12 ILE 100 8.333% * 0.0955% (0.94 1.0 0.02 4.71) = 0.095% HD3 LYS+ 20 - HG12 ILE 100 8.333% * 0.0913% (0.90 1.0 0.02 0.02) = 0.091% QB ALA 37 - HG12 ILE 100 8.333% * 0.0826% (0.81 1.0 0.02 0.02) = 0.083% HG13 ILE 68 - HG12 ILE 100 8.333% * 0.0520% (0.51 1.0 0.02 0.18) = 0.052% HD3 LYS+ 44 - HG12 ILE 100 8.333% * 0.0407% (0.40 1.0 0.02 0.02) = 0.041% QG2 THR 39 - HG12 ILE 100 8.333% * 0.0337% (0.33 1.0 0.02 0.02) = 0.034% QB ALA 91 - HG12 ILE 100 8.333% * 0.0305% (0.30 1.0 0.02 0.02) = 0.031% QG2 THR 38 - HG12 ILE 100 8.333% * 0.0247% (0.24 1.0 0.02 0.02) = 0.025% HG2 LYS+ 78 - HG12 ILE 100 8.333% * 0.0196% (0.19 1.0 0.02 0.02) = 0.020% HG3 LYS+ 55 - HG12 ILE 100 8.333% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% Peak 2524 (1.23, 1.40, 27.99 ppm): 4 chemical-shift based assignments, quality = 0.891, support = 3.52, residual support = 68.1: O T HG12 ILE 100 - HG13 ILE 100 25.000% * 95.1342% (0.92 10.0 10.00 3.57 70.49) = 95.134% kept HB2 LEU 67 - HG13 ILE 68 25.000% * 3.0172% (0.15 1.0 1.00 3.86 31.78) = 3.017% kept HB2 LEU 67 - HG13 ILE 100 25.000% * 1.6089% (0.60 1.0 1.00 0.52 4.71) = 1.609% kept T HG12 ILE 100 - HG13 ILE 68 25.000% * 0.2397% (0.23 1.0 10.00 0.02 0.18) = 0.240% 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): 2 chemical-shift based assignments, quality = 0.905, support = 4.63, residual support = 77.8: O HB2 LEU 67 - QD2 LEU 67 50.000% * 99.1986% (0.91 10.0 1.00 4.67 78.38) = 99.199% kept T HG12 ILE 100 - QD2 LEU 67 50.000% * 0.8014% (0.74 1.0 10.00 0.02 4.71) = 0.801% Peak 2527 (0.84, 1.40, 27.94 ppm): 18 chemical-shift based assignments, quality = 0.354, support = 3.17, residual support = 47.6: O T QG2 ILE 100 - HG13 ILE 100 5.556% * 66.7299% (0.15 10.0 10.00 4.39 70.49) = 66.730% kept QG1 VAL 13 - HG13 ILE 100 5.556% * 13.7297% (0.92 1.0 1.00 0.67 0.25) = 13.730% kept QG2 VAL 13 - HG13 ILE 100 5.556% * 13.1635% (0.85 1.0 1.00 0.70 0.25) = 13.163% kept QD2 LEU 17 - HG13 ILE 100 5.556% * 3.0360% (0.48 1.0 1.00 0.29 0.02) = 3.036% kept QD2 LEU 67 - HG13 ILE 68 5.556% * 1.6569% (0.02 1.0 1.00 3.06 31.78) = 1.657% kept QD1 ILE 29 - HG13 ILE 100 5.556% * 0.4091% (0.92 1.0 1.00 0.02 0.02) = 0.409% QG1 VAL 94 - HG13 ILE 100 5.556% * 0.3140% (0.71 1.0 1.00 0.02 0.02) = 0.314% T QD2 LEU 17 - HG13 ILE 68 5.556% * 0.3015% (0.07 1.0 10.00 0.02 0.02) = 0.301% QD2 LEU 90 - HG13 ILE 100 5.556% * 0.1623% (0.37 1.0 1.00 0.02 0.02) = 0.162% T QG2 ILE 100 - HG13 ILE 68 5.556% * 0.0956% (0.02 1.0 10.00 0.02 0.18) = 0.096% QD2 LEU 67 - HG13 ILE 100 5.556% * 0.0757% (0.17 1.0 1.00 0.02 4.71) = 0.076% QD1 LEU 90 - HG13 ILE 100 5.556% * 0.0757% (0.17 1.0 1.00 0.02 0.02) = 0.076% QD1 ILE 29 - HG13 ILE 68 5.556% * 0.0586% (0.13 1.0 1.00 0.02 0.02) = 0.059% QG1 VAL 13 - HG13 ILE 68 5.556% * 0.0586% (0.13 1.0 1.00 0.02 0.02) = 0.059% QG2 VAL 13 - HG13 ILE 68 5.556% * 0.0537% (0.12 1.0 1.00 0.02 0.02) = 0.054% QG1 VAL 94 - HG13 ILE 68 5.556% * 0.0450% (0.10 1.0 1.00 0.02 0.02) = 0.045% QD2 LEU 90 - HG13 ILE 68 5.556% * 0.0232% (0.05 1.0 1.00 0.02 0.02) = 0.023% QD1 LEU 90 - HG13 ILE 68 5.556% * 0.0108% (0.02 1.0 1.00 0.02 0.02) = 0.011% Peak 2528 (0.83, 1.22, 27.96 ppm): 7 chemical-shift based assignments, quality = 0.664, support = 0.466, residual support = 0.559: QG2 VAL 13 - HG12 ILE 100 14.286% * 56.0995% (0.65 1.00 0.69 0.25) = 56.100% kept QD2 LEU 17 - HG12 ILE 100 14.286% * 26.4090% (0.73 1.00 0.29 0.02) = 26.409% kept T QD2 LEU 67 - HG12 ILE 100 14.286% * 8.6018% (0.34 10.00 0.02 4.71) = 8.602% kept QD1 ILE 29 - HG12 ILE 100 14.286% * 2.5161% (1.00 1.00 0.02 0.02) = 2.516% kept QG1 VAL 13 - HG12 ILE 100 14.286% * 2.5161% (1.00 1.00 0.02 0.25) = 2.516% kept QG1 VAL 94 - HG12 ILE 100 14.286% * 2.3278% (0.92 1.00 0.02 0.02) = 2.328% kept QD2 LEU 90 - HG12 ILE 100 14.286% * 1.5295% (0.61 1.00 0.02 0.02) = 1.530% kept Not enough total support, support cutoff is 0.60 Peak unassigned. 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 = 0.742, support = 2.78, residual support = 8.7: QD2 LEU 43 - QD2 LEU 67 50.000% * 61.3071% (0.98 2.22 4.82) = 61.307% kept QD2 LEU 74 - QD2 LEU 67 50.000% * 38.6929% (0.37 3.66 14.85) = 38.693% kept Peak 2531 (-0.04, 0.81, 27.84 ppm): 1 chemical-shift based assignment, quality = 0.736, support = 2.77, residual support = 14.9: QD1 LEU 74 - QD2 LEU 67 100.000% *100.0000% (0.74 2.77 14.85) = 100.000% kept Peak 2532 (8.47, 0.72, 27.60 ppm): 5 chemical-shift based assignments, quality = 0.699, support = 4.35, residual support = 74.3: HN LEU 74 - HG LEU 74 20.000% * 68.7729% (0.61 6.02 107.93) = 68.773% kept HN GLU- 107 - HG LEU 74 20.000% * 13.8400% (1.00 0.74 0.36) = 13.840% kept HN GLY 92 - HG LEU 74 20.000% * 12.8382% (0.94 0.72 0.24) = 12.838% kept HN GLU- 18 - HG LEU 74 20.000% * 4.4203% (0.53 0.45 0.02) = 4.420% kept HN GLU- 10 - HG LEU 74 20.000% * 0.1286% (0.34 0.02 0.02) = 0.129% Peak 2533 (4.47, 2.05, 27.61 ppm): 6 chemical-shift based assignments, quality = 0.182, support = 1.11, residual support = 0.428: HA GLN 102 - HG3 PRO 86 16.667% * 36.3705% (0.21 1.03 0.34) = 36.370% kept HA ILE 100 - HG3 PRO 86 16.667% * 36.3705% (0.21 1.03 0.34) = 36.370% kept HA GLU- 50 - HG3 PRO 86 16.667% * 26.2046% (0.11 1.38 0.70) = 26.205% kept HA LYS+ 32 - HG3 PRO 86 16.667% * 0.6467% (0.19 0.02 0.02) = 0.647% HA SER 77 - HG3 PRO 86 16.667% * 0.2965% (0.09 0.02 0.02) = 0.296% HB THR 79 - HG3 PRO 86 16.667% * 0.1113% (0.03 0.02 0.02) = 0.111% Not enough quality. Peak unassigned. Peak 2534 (4.29, 1.77, 27.51 ppm): 13 chemical-shift based assignments, quality = 0.485, support = 1.66, residual support = 4.28: HA PRO 52 - HG3 ARG+ 53 7.692% * 59.0868% (0.48 2.50 7.20) = 59.087% kept HA LEU 90 - HG3 ARG+ 53 7.692% * 20.4503% (0.64 0.65 0.02) = 20.450% kept HA ARG+ 84 - HG3 ARG+ 53 7.692% * 6.6700% (0.48 0.28 0.02) = 6.670% kept HA VAL 65 - HG3 ARG+ 53 7.692% * 5.7825% (0.43 0.27 0.02) = 5.783% kept HA GLU- 75 - HG3 ARG+ 53 7.692% * 2.9977% (0.20 0.30 0.42) = 2.998% kept HA SER 85 - HG3 ARG+ 53 7.692% * 2.1092% (0.48 0.09 0.02) = 2.109% kept HA THR 106 - HG3 ARG+ 53 7.692% * 0.6284% (0.64 0.02 0.02) = 0.628% HA VAL 94 - HG3 ARG+ 53 7.692% * 0.4976% (0.50 0.02 0.02) = 0.498% HA ASP- 36 - HG3 ARG+ 53 7.692% * 0.4976% (0.50 0.02 0.02) = 0.498% HD3 PRO 59 - HG3 ARG+ 53 7.692% * 0.4728% (0.48 0.02 0.02) = 0.473% HA ALA 93 - HG3 ARG+ 53 7.692% * 0.4038% (0.10 0.08 0.02) = 0.404% HA GLU- 64 - HG3 ARG+ 53 7.692% * 0.2221% (0.22 0.02 0.02) = 0.222% HA ILE 29 - HG3 ARG+ 53 7.692% * 0.1811% (0.18 0.02 0.02) = 0.181% Peak 2535 (4.30, 1.68, 27.61 ppm): 11 chemical-shift based assignments, quality = 0.185, support = 1.79, residual support = 9.13: O HA ARG+ 84 - HG3 ARG+ 84 9.091% * 91.3407% (0.19 10.0 1.90 9.90) = 91.341% kept HA SER 85 - HG3 ARG+ 84 9.091% * 4.4877% (0.19 1.0 0.93 1.96) = 4.488% kept HA PRO 52 - HG3 ARG+ 84 9.091% * 2.1132% (0.19 1.0 0.44 0.10) = 2.113% kept HA ASP- 36 - HG3 ARG+ 84 9.091% * 0.4691% (0.92 1.0 0.02 0.02) = 0.469% HA ILE 29 - HG3 ARG+ 84 9.091% * 0.4060% (0.80 1.0 0.02 0.02) = 0.406% HA THR 106 - HG3 ARG+ 84 9.091% * 0.3715% (0.73 1.0 0.02 0.02) = 0.371% HA ALA 93 - HG3 ARG+ 84 9.091% * 0.3145% (0.62 1.0 0.02 0.02) = 0.314% HA LEU 90 - HG3 ARG+ 84 9.091% * 0.2179% (0.43 1.0 0.02 0.02) = 0.218% HA VAL 94 - HG3 ARG+ 84 9.091% * 0.1082% (0.21 1.0 0.02 0.02) = 0.108% HD3 PRO 59 - HG3 ARG+ 84 9.091% * 0.0962% (0.19 1.0 0.02 0.14) = 0.096% HA VAL 65 - HG3 ARG+ 84 9.091% * 0.0750% (0.15 1.0 0.02 0.02) = 0.075% Peak 2536 (3.90, 2.14, 27.77 ppm): 5 chemical-shift based assignments, quality = 0.172, support = 0.02, residual support = 0.02: HB2 SER 77 - HG2 PRO 104 20.000% * 38.0148% (0.25 0.02 0.02) = 38.015% kept HD2 PRO 86 - HG2 PRO 104 20.000% * 25.7668% (0.17 0.02 0.02) = 25.767% kept HD3 PRO 35 - HG2 PRO 104 20.000% * 18.7105% (0.12 0.02 0.02) = 18.711% kept HB THR 96 - HG2 PRO 104 20.000% * 11.3485% (0.07 0.02 0.02) = 11.349% kept HA GLU- 45 - HG2 PRO 104 20.000% * 6.1594% (0.04 0.02 0.02) = 6.159% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2537 (3.84, 2.02, 27.60 ppm): 14 chemical-shift based assignments, quality = 0.038, support = 2.13, residual support = 10.8: O T HD3 PRO 86 - HG2 PRO 86 7.143% * 53.8113% (0.04 10.0 10.00 1.60 11.94) = 53.811% kept O T HD3 PRO 86 - HG3 PRO 86 7.143% * 35.4894% (0.03 10.0 10.00 3.35 11.94) = 35.489% kept HB2 SER 85 - HG3 PRO 86 7.143% * 4.6037% (0.06 1.0 1.00 1.23 1.32) = 4.604% kept HB2 SER 85 - HG2 PRO 86 7.143% * 3.2450% (0.09 1.0 1.00 0.57 1.32) = 3.245% kept HB3 SER 88 - HG3 PRO 86 7.143% * 1.8715% (0.06 1.0 1.00 0.46 0.10) = 1.872% kept T HA GLU- 45 - HG3 PRO 86 7.143% * 0.3549% (0.03 1.0 10.00 0.02 0.02) = 0.355% HB3 SER 88 - HG2 PRO 86 7.143% * 0.1222% (0.09 1.0 1.00 0.02 0.10) = 0.122% HA2 GLY 92 - HG2 PRO 86 7.143% * 0.1050% (0.08 1.0 1.00 0.02 0.02) = 0.105% HB3 SER 77 - HG2 PRO 86 7.143% * 0.1050% (0.08 1.0 1.00 0.02 0.02) = 0.105% HA2 GLY 92 - HG3 PRO 86 7.143% * 0.0693% (0.05 1.0 1.00 0.02 0.02) = 0.069% HB3 SER 77 - HG3 PRO 86 7.143% * 0.0693% (0.05 1.0 1.00 0.02 0.02) = 0.069% HB3 SER 27 - HG2 PRO 86 7.143% * 0.0600% (0.05 1.0 1.00 0.02 0.02) = 0.060% HA GLU- 45 - HG2 PRO 86 7.143% * 0.0538% (0.04 1.0 1.00 0.02 0.02) = 0.054% HB3 SER 27 - HG3 PRO 86 7.143% * 0.0396% (0.03 1.0 1.00 0.02 0.02) = 0.040% Peak 2538 (3.61, 1.99, 27.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2539 (3.61, 1.93, 27.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2540 (3.29, 1.46, 27.64 ppm): 2 chemical-shift based assignments, quality = 0.191, support = 0.113, residual support = 0.02: HE3 LYS+ 63 - HG2 PRO 59 50.000% * 86.0476% (0.19 0.13 0.02) = 86.048% kept HD3 ARG+ 53 - HG2 PRO 59 50.000% * 13.9524% (0.20 0.02 0.02) = 13.952% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2542 (3.18, 1.66, 27.58 ppm): 6 chemical-shift based assignments, quality = 0.81, support = 1.51, residual support = 9.53: O HD3 ARG+ 84 - HG3 ARG+ 84 16.667% * 96.0936% (0.83 10.0 1.53 9.90) = 96.094% kept HA1 GLY 58 - HG3 ARG+ 84 16.667% * 1.9442% (0.17 1.0 1.51 0.56) = 1.944% kept HB3 PHE 34 - HG3 ARG+ 84 16.667% * 1.8551% (0.60 1.0 0.41 0.12) = 1.855% kept HA1 GLY 58 - HG12 ILE 101 16.667% * 0.0593% (0.04 1.0 0.21 0.02) = 0.059% HD3 ARG+ 84 - HG12 ILE 101 16.667% * 0.0277% (0.18 1.0 0.02 0.02) = 0.028% HB3 PHE 34 - HG12 ILE 101 16.667% * 0.0201% (0.13 1.0 0.02 0.02) = 0.020% Peak 2546 (2.58, 2.14, 27.70 ppm): 2 chemical-shift based assignments, quality = 0.196, support = 0.135, residual support = 0.133: HA1 GLY 58 - HG2 PRO 104 50.000% * 96.4738% (0.20 0.14 0.14) = 96.474% kept HB2 PHE 34 - HG2 PRO 104 50.000% * 3.5262% (0.05 0.02 0.02) = 3.526% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2547 (2.58, 2.08, 27.66 ppm): 2 chemical-shift based assignments, quality = 0.0445, support = 0.02, residual support = 0.02: HA1 GLY 58 - HG3 PRO 86 50.000% * 77.9585% (0.05 0.02 0.02) = 77.959% kept HB2 PHE 34 - HG3 PRO 86 50.000% * 22.0415% (0.01 0.02 0.02) = 22.041% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2551 (2.30, 2.02, 27.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2557 (2.04, 1.63, 27.60 ppm): 13 chemical-shift based assignments, quality = 0.669, support = 0.79, residual support = 0.571: HB2 GLU- 45 - HG12 ILE 101 7.692% * 33.3940% (0.76 1.00 1.00 0.13) = 33.394% kept HB3 GLU- 75 - HG12 ILE 101 7.692% * 30.8398% (0.59 1.00 1.19 1.65) = 30.840% kept HG3 PRO 86 - HG12 ILE 101 7.692% * 11.4591% (0.93 1.00 0.28 0.02) = 11.459% kept HB3 GLU- 45 - HG12 ILE 101 7.692% * 8.6606% (0.72 1.00 0.27 0.13) = 8.661% kept HB3 GLU- 54 - HG12 ILE 101 7.692% * 8.0081% (0.69 1.00 0.26 0.02) = 8.008% kept HG3 GLU- 64 - HG12 ILE 101 7.692% * 2.5119% (0.26 1.00 0.22 0.02) = 2.512% kept HB VAL 62 - HG12 ILE 101 7.692% * 1.4191% (0.15 1.00 0.22 0.02) = 1.419% kept HA1 GLY 58 - HG12 ILE 101 7.692% * 1.1903% (0.13 1.00 0.21 0.02) = 1.190% kept T HB3 PRO 35 - HG12 ILE 101 7.692% * 1.1611% (0.13 10.00 0.02 0.02) = 1.161% kept HB3 GLU- 10 - HG12 ILE 101 7.692% * 0.5052% (0.57 1.00 0.02 0.02) = 0.505% HB3 PRO 31 - HG12 ILE 101 7.692% * 0.4382% (0.50 1.00 0.02 0.24) = 0.438% HB3 GLU- 107 - HG12 ILE 101 7.692% * 0.2841% (0.32 1.00 0.02 0.02) = 0.284% HB2 GLU- 18 - HG12 ILE 101 7.692% * 0.1285% (0.15 1.00 0.02 3.05) = 0.129% Peak 2558 (2.03, 1.30, 27.57 ppm): 12 chemical-shift based assignments, quality = 0.52, support = 0.883, residual support = 0.603: HB3 GLU- 45 - HG13 ILE 101 8.333% * 42.1779% (0.67 1.00 0.13) = 42.178% kept HB3 GLU- 75 - HG13 ILE 101 8.333% * 32.2993% (0.41 1.24 1.65) = 32.299% kept HG3 PRO 86 - HG13 ILE 101 8.333% * 10.4528% (0.63 0.26 0.02) = 10.453% kept HB2 GLU- 45 - HG13 ILE 101 8.333% * 7.5306% (0.44 0.27 0.13) = 7.531% kept HG3 GLU- 64 - HG13 ILE 101 8.333% * 2.4368% (0.17 0.22 0.02) = 2.437% kept HG2 PRO 86 - HG13 ILE 101 8.333% * 1.9762% (0.11 0.28 0.02) = 1.976% kept HB3 GLU- 54 - HG13 ILE 101 8.333% * 0.8184% (0.65 0.02 0.02) = 0.818% HB3 GLU- 10 - HG13 ILE 101 8.333% * 0.7307% (0.58 0.02 0.02) = 0.731% HB3 PRO 31 - HG13 ILE 101 8.333% * 0.6627% (0.53 0.02 0.24) = 0.663% HB3 GLU- 107 - HG13 ILE 101 8.333% * 0.4801% (0.38 0.02 0.02) = 0.480% HB2 GLU- 18 - HG13 ILE 101 8.333% * 0.2537% (0.20 0.02 3.05) = 0.254% HB2 HIS+ 14 - HG13 ILE 101 8.333% * 0.1806% (0.14 0.02 0.02) = 0.181% Peak 2568 (2.01, 2.01, 27.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2569 (1.85, 1.46, 27.62 ppm): 7 chemical-shift based assignments, quality = 0.163, support = 1.31, residual support = 4.06: O T HB2 PRO 59 - HG2 PRO 59 14.286% * 88.2940% (0.16 10.0 10.00 1.27 3.27) = 88.294% kept HB3 LYS+ 60 - HG2 PRO 59 14.286% * 11.1957% (0.23 1.0 1.00 1.70 10.43) = 11.196% kept HB2 LYS+ 66 - HG2 PRO 59 14.286% * 0.1291% (0.23 1.0 1.00 0.02 0.02) = 0.129% HB3 LYS+ 72 - HG2 PRO 59 14.286% * 0.1291% (0.23 1.0 1.00 0.02 0.02) = 0.129% HB2 PRO 104 - HG2 PRO 59 14.286% * 0.1260% (0.22 1.0 1.00 0.02 0.02) = 0.126% HB VAL 94 - HG2 PRO 59 14.286% * 0.0991% (0.17 1.0 1.00 0.02 0.02) = 0.099% HG3 LYS+ 108 - HG2 PRO 59 14.286% * 0.0270% (0.05 1.0 1.00 0.02 0.02) = 0.027% Peak 2570 (1.73, 2.03, 27.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2571 (1.67, 1.46, 27.63 ppm): 8 chemical-shift based assignments, quality = 0.161, support = 0.541, residual support = 0.144: T HB3 ARG+ 22 - HG2 PRO 59 12.500% * 55.5285% (0.10 10.00 0.79 0.15) = 55.528% kept T HG3 ARG+ 84 - HG2 PRO 59 12.500% * 33.0677% (0.24 10.00 0.20 0.14) = 33.068% kept HB ILE 100 - HG2 PRO 59 12.500% * 5.9231% (0.23 1.00 0.37 0.24) = 5.923% kept HB3 MET 97 - HG2 PRO 59 12.500% * 4.4404% (0.24 1.00 0.26 0.02) = 4.440% kept HB3 LYS+ 81 - HG2 PRO 59 12.500% * 0.3280% (0.24 1.00 0.02 0.02) = 0.328% HB3 LYS+ 66 - HG2 PRO 59 12.500% * 0.3137% (0.23 1.00 0.02 0.02) = 0.314% HD3 LYS+ 55 - HG2 PRO 59 12.500% * 0.2198% (0.16 1.00 0.02 0.02) = 0.220% HG13 ILE 19 - HG2 PRO 59 12.500% * 0.1788% (0.13 1.00 0.02 0.02) = 0.179% Not enough quality. Peak unassigned. Peak 2572 (1.63, 1.28, 27.62 ppm): 7 chemical-shift based assignments, quality = 0.994, support = 3.74, residual support = 114.3: O HG12 ILE 101 - HG13 ILE 101 14.286% * 99.5607% (1.00 10.0 3.76 114.85) = 99.561% kept HG LEU 43 - HG13 ILE 101 14.286% * 0.0993% (1.00 1.0 0.02 0.02) = 0.099% HB ILE 68 - HG13 ILE 101 14.286% * 0.0993% (1.00 1.0 0.02 0.02) = 0.099% HG LEU 23 - HG13 ILE 101 14.286% * 0.0987% (0.99 1.0 0.02 1.57) = 0.099% HG3 LYS+ 78 - HG13 ILE 101 14.286% * 0.0864% (0.87 1.0 0.02 0.02) = 0.086% HB3 ARG+ 22 - HG13 ILE 101 14.286% * 0.0307% (0.31 1.0 0.02 0.02) = 0.031% HD3 LYS+ 32 - HG13 ILE 101 14.286% * 0.0248% (0.25 1.0 0.02 0.46) = 0.025% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2575 (1.46, 1.68, 27.63 ppm): 7 chemical-shift based assignments, quality = 0.82, support = 0.411, residual support = 0.0936: T HG3 LYS+ 60 - HG3 ARG+ 84 14.286% * 68.6017% (0.83 10.00 0.51 0.02) = 68.602% kept T HG2 PRO 59 - HG3 ARG+ 84 14.286% * 26.7878% (0.83 10.00 0.20 0.14) = 26.788% kept HG13 ILE 48 - HG3 ARG+ 84 14.286% * 3.5834% (0.91 1.00 0.24 1.16) = 3.583% kept QB ALA 70 - HG3 ARG+ 84 14.286% * 0.5329% (0.35 1.00 0.09 0.02) = 0.533% HB3 LEU 67 - HG3 ARG+ 84 14.286% * 0.2778% (0.85 1.00 0.02 0.02) = 0.278% HB3 LYS+ 44 - HG3 ARG+ 84 14.286% * 0.1237% (0.38 1.00 0.02 0.02) = 0.124% HG LEU 90 - HG3 ARG+ 84 14.286% * 0.0929% (0.28 1.00 0.02 0.02) = 0.093% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 2576 (1.44, 0.81, 27.73 ppm): 9 chemical-shift based assignments, quality = 0.514, support = 0.228, residual support = 0.279: HD3 LYS+ 44 - QD2 LEU 67 11.111% * 47.3890% (0.45 0.39 0.54) = 47.389% kept HG LEU 90 - QD2 LEU 67 11.111% * 18.0005% (0.74 0.09 0.02) = 18.000% kept QB ALA 91 - QD2 LEU 67 11.111% * 16.1679% (0.54 0.11 0.02) = 16.168% kept HG2 PRO 59 - QD2 LEU 67 11.111% * 7.4929% (0.36 0.08 0.02) = 7.493% kept HG3 LYS+ 55 - QD2 LEU 67 11.111% * 3.6864% (0.69 0.02 0.02) = 3.686% kept QG2 THR 38 - QD2 LEU 67 11.111% * 3.1977% (0.59 0.02 0.12) = 3.198% kept HG3 LYS+ 60 - QD2 LEU 67 11.111% * 1.9438% (0.36 0.02 0.02) = 1.944% kept HG13 ILE 48 - QD2 LEU 67 11.111% * 1.2326% (0.23 0.02 0.79) = 1.233% kept QB ALA 37 - QD2 LEU 67 11.111% * 0.8891% (0.17 0.02 0.02) = 0.889% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2578 (1.17, 1.45, 27.52 ppm): 10 chemical-shift based assignments, quality = 0.464, support = 0.988, residual support = 3.23: O T HG3 PRO 59 - HG2 PRO 59 10.000% * 98.7620% (0.47 10.0 10.00 1.00 3.27) = 98.762% kept HB2 LEU 43 - HG2 PRO 59 10.000% * 0.5422% (0.50 1.0 1.00 0.10 0.02) = 0.542% T HG3 PRO 59 - HG LEU 90 10.000% * 0.3588% (0.17 1.0 10.00 0.02 0.02) = 0.359% QG2 THR 106 - HG2 PRO 59 10.000% * 0.1008% (0.48 1.0 1.00 0.02 0.02) = 0.101% HB2 LEU 74 - HG2 PRO 59 10.000% * 0.0758% (0.36 1.0 1.00 0.02 0.02) = 0.076% QB ALA 33 - HG2 PRO 59 10.000% * 0.0429% (0.20 1.0 1.00 0.02 0.02) = 0.043% HB2 LEU 43 - HG LEU 90 10.000% * 0.0378% (0.18 1.0 1.00 0.02 0.02) = 0.038% QG2 THR 106 - HG LEU 90 10.000% * 0.0366% (0.17 1.0 1.00 0.02 0.02) = 0.037% HB2 LEU 74 - HG LEU 90 10.000% * 0.0275% (0.13 1.0 1.00 0.02 0.02) = 0.028% QB ALA 33 - HG LEU 90 10.000% * 0.0156% (0.07 1.0 1.00 0.02 0.02) = 0.016% Peak 2579 (0.92, 2.03, 27.57 ppm): 26 chemical-shift based assignments, quality = 0.0414, support = 0.911, residual support = 3.18: QG2 VAL 87 - HG3 PRO 86 3.846% * 32.3377% (0.04 1.22 4.93) = 32.338% kept QG2 VAL 87 - HG2 PRO 86 3.846% * 31.9791% (0.03 1.52 4.93) = 31.979% kept HB2 ARG+ 84 - HG3 PRO 86 3.846% * 8.0147% (0.09 0.13 0.02) = 8.015% kept QG1 VAL 47 - HG3 PRO 86 3.846% * 5.4966% (0.05 0.17 0.02) = 5.497% kept QG1 VAL 47 - HG2 PRO 86 3.846% * 4.3618% (0.04 0.17 0.02) = 4.362% kept QG2 VAL 62 - HG3 PRO 86 3.846% * 1.8266% (0.03 0.08 0.02) = 1.827% kept QG2 VAL 80 - HG3 PRO 86 3.846% * 1.5555% (0.11 0.02 0.02) = 1.556% kept HG12 ILE 68 - HG3 PRO 86 3.846% * 1.4715% (0.11 0.02 0.02) = 1.471% kept QG2 VAL 80 - HG2 PRO 86 3.846% * 1.2344% (0.09 0.02 0.02) = 1.234% kept HG12 ILE 68 - HG2 PRO 86 3.846% * 1.1677% (0.08 0.02 0.02) = 1.168% kept QG2 VAL 105 - HG3 PRO 86 3.846% * 1.1296% (0.08 0.02 0.02) = 1.130% kept QD1 LEU 17 - HG3 PRO 86 3.846% * 1.0685% (0.08 0.02 0.02) = 1.069% kept QG1 VAL 105 - HG3 PRO 86 3.846% * 1.0063% (0.07 0.02 0.02) = 1.006% kept HB2 ARG+ 84 - HG2 PRO 86 3.846% * 0.9434% (0.07 0.02 0.02) = 0.943% QG2 VAL 105 - HG2 PRO 86 3.846% * 0.8964% (0.06 0.02 0.02) = 0.896% QD1 LEU 17 - HG2 PRO 86 3.846% * 0.8479% (0.06 0.02 0.02) = 0.848% QG1 VAL 105 - HG2 PRO 86 3.846% * 0.7985% (0.06 0.02 0.02) = 0.799% QD1 LEU 67 - HG3 PRO 86 3.846% * 0.7572% (0.05 0.02 0.02) = 0.757% QD1 LEU 67 - HG2 PRO 86 3.846% * 0.6008% (0.04 0.02 0.02) = 0.601% QG2 VAL 40 - HG3 PRO 86 3.846% * 0.5306% (0.04 0.02 0.02) = 0.531% QG2 VAL 40 - HG2 PRO 86 3.846% * 0.4211% (0.03 0.02 0.02) = 0.421% QG2 VAL 62 - HG2 PRO 86 3.846% * 0.3810% (0.03 0.02 0.02) = 0.381% QG2 VAL 73 - HG3 PRO 86 3.846% * 0.3463% (0.02 0.02 0.02) = 0.346% QG2 ILE 29 - HG3 PRO 86 3.846% * 0.3078% (0.02 0.02 0.02) = 0.308% QG2 VAL 73 - HG2 PRO 86 3.846% * 0.2748% (0.02 0.02 0.02) = 0.275% QG2 ILE 29 - HG2 PRO 86 3.846% * 0.2443% (0.02 0.02 0.02) = 0.244% Not enough quality. Peak unassigned. Peak 2581 (0.82, 1.45, 27.71 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2582 (0.84, 1.16, 27.48 ppm): 8 chemical-shift based assignments, quality = 0.57, support = 0.435, residual support = 0.0197: QG2 VAL 13 - HG3 PRO 59 12.500% * 60.0980% (0.62 0.60 0.02) = 60.098% kept QD1 ILE 29 - HG3 PRO 59 12.500% * 21.4864% (0.54 0.25 0.02) = 21.486% kept QG1 VAL 13 - HG3 PRO 59 12.500% * 12.8763% (0.54 0.15 0.02) = 12.876% kept QD2 LEU 17 - HG3 PRO 59 12.500% * 2.7478% (0.22 0.08 0.02) = 2.748% kept QG1 VAL 94 - HG3 PRO 59 12.500% * 1.1769% (0.37 0.02 0.02) = 1.177% kept QD1 LEU 90 - HG3 PRO 59 12.500% * 0.5780% (0.18 0.02 0.02) = 0.578% QG2 ILE 100 - HG3 PRO 59 12.500% * 0.5183% (0.16 0.02 0.24) = 0.518% QD2 LEU 90 - HG3 PRO 59 12.500% * 0.5183% (0.16 0.02 0.02) = 0.518% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 2583 (0.73, 1.27, 27.62 ppm): 7 chemical-shift based assignments, quality = 0.573, support = 4.7, residual support = 103.6: O QG2 ILE 101 - HG13 ILE 101 14.286% * 90.2065% (0.56 10.0 5.15 114.85) = 90.207% kept HG LEU 74 - HG13 ILE 101 14.286% * 4.5157% (0.78 1.0 0.71 0.13) = 4.516% kept QG2 ILE 48 - HG13 ILE 101 14.286% * 3.2357% (0.64 1.0 0.62 0.20) = 3.236% kept QG1 VAL 40 - HG13 ILE 101 14.286% * 1.5061% (0.89 1.0 0.21 0.69) = 1.506% kept QG2 THR 96 - HG13 ILE 101 14.286% * 0.2951% (0.34 1.0 0.11 0.02) = 0.295% QD1 ILE 68 - HG13 ILE 101 14.286% * 0.1408% (0.87 1.0 0.02 0.02) = 0.141% HG3 LYS+ 66 - HG13 ILE 101 14.286% * 0.1002% (0.62 1.0 0.02 2.25) = 0.100% 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): 2 chemical-shift based assignments, quality = 0.983, support = 5.18, residual support = 114.8: O T QD1 ILE 101 - HG13 ILE 101 50.000% * 99.9845% (0.98 10.0 10.00 5.18 114.85) = 99.985% kept QD1 LEU 23 - HG13 ILE 101 50.000% * 0.0155% (0.15 1.0 1.00 0.02 1.57) = 0.015% Peak 2586 (0.46, 0.72, 27.61 ppm): 2 chemical-shift based assignments, quality = 0.989, support = 5.71, residual support = 107.9: O QD2 LEU 74 - HG LEU 74 50.000% * 99.9429% (0.99 10.0 5.72 107.93) = 99.943% kept QD2 LEU 43 - HG LEU 74 50.000% * 0.0571% (0.57 1.0 0.02 0.02) = 0.057% Peak 2587 (-0.03, 0.71, 27.67 ppm): 1 chemical-shift based assignment, quality = 0.771, support = 5.13, residual support = 107.9: O T QD1 LEU 74 - HG LEU 74 100.000% *100.0000% (0.77 10.0 10.00 5.13 107.93) = 100.000% kept Peak 2588 (8.45, 1.78, 27.37 ppm): 6 chemical-shift based assignments, quality = 0.641, support = 3.98, residual support = 26.1: HN ARG+ 53 - HG3 ARG+ 53 16.667% * 82.6408% (0.64 4.67 31.56) = 82.641% kept HN GLU- 75 - HG3 ARG+ 53 16.667% * 14.2453% (0.60 0.86 0.42) = 14.245% kept HN LEU 74 - HG3 ARG+ 53 16.667% * 2.4902% (0.96 0.09 0.02) = 2.490% kept HN GLU- 107 - HG3 ARG+ 53 16.667% * 0.2663% (0.48 0.02 0.02) = 0.266% HN HIS+ 14 - HG3 ARG+ 53 16.667% * 0.2053% (0.37 0.02 0.02) = 0.205% HN GLY 92 - HG3 ARG+ 53 16.667% * 0.1521% (0.28 0.02 0.02) = 0.152% Peak 2589 (4.30, 1.63, 27.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2590 (4.13, 1.78, 27.34 ppm): 7 chemical-shift based assignments, quality = 0.912, support = 4.06, residual support = 30.8: O HA ARG+ 53 - HG3 ARG+ 53 14.286% * 97.5691% (0.92 10.0 4.15 31.56) = 97.569% kept HB3 SER 49 - HG3 ARG+ 53 14.286% * 2.0683% (0.94 1.0 0.41 0.02) = 2.068% kept HD2 PRO 59 - HG3 ARG+ 53 14.286% * 0.1029% (0.97 1.0 0.02 0.02) = 0.103% HA2 GLY 71 - HG3 ARG+ 53 14.286% * 0.0995% (0.93 1.0 0.02 0.02) = 0.100% HB2 SER 88 - HG3 ARG+ 53 14.286% * 0.0826% (0.77 1.0 0.02 0.02) = 0.083% HA VAL 87 - HG3 ARG+ 53 14.286% * 0.0424% (0.40 1.0 0.02 0.02) = 0.042% HA THR 46 - HG3 ARG+ 53 14.286% * 0.0352% (0.33 1.0 0.02 0.02) = 0.035% Peak 2591 (3.28, 1.78, 27.41 ppm): 2 chemical-shift based assignments, quality = 0.864, support = 1.68, residual support = 31.2: O T HD3 ARG+ 53 - HG3 ARG+ 53 50.000% * 98.9856% (0.86 10.0 10.00 1.69 31.56) = 98.986% kept T HE3 LYS+ 63 - HG3 ARG+ 53 50.000% * 1.0144% (0.89 1.0 10.00 0.02 0.12) = 1.014% kept 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): 1 diagonal assignment: HG3 ARG+ 53 - HG3 ARG+ 53 (0.96) kept Peak 2604 (1.45, 1.44, 27.27 ppm): 2 diagonal assignments: HG2 PRO 59 - HG2 PRO 59 (0.76) kept HG LEU 90 - HG LEU 90 (0.65) kept Peak 2605 (1.45, 1.16, 27.45 ppm): 9 chemical-shift based assignments, quality = 0.69, support = 1.66, residual support = 6.81: O T HG2 PRO 59 - HG3 PRO 59 11.111% * 49.7166% (0.69 10.0 10.00 1.00 3.27) = 49.717% kept T HG3 LYS+ 60 - HG3 PRO 59 11.111% * 49.7166% (0.69 1.0 10.00 2.34 10.43) = 49.717% kept T HG LEU 90 - HG3 PRO 59 11.111% * 0.4313% (0.60 1.0 10.00 0.02 0.02) = 0.431% HG13 ILE 48 - HG3 PRO 59 11.111% * 0.0412% (0.57 1.0 1.00 0.02 0.02) = 0.041% HG3 LYS+ 55 - HG3 PRO 59 11.111% * 0.0262% (0.37 1.0 1.00 0.02 0.02) = 0.026% HB3 LEU 67 - HG3 PRO 59 11.111% * 0.0241% (0.34 1.0 1.00 0.02 0.02) = 0.024% QG2 THR 38 - HG3 PRO 59 11.111% * 0.0184% (0.26 1.0 1.00 0.02 0.02) = 0.018% QB ALA 91 - HG3 PRO 59 11.111% * 0.0150% (0.21 1.0 1.00 0.02 0.02) = 0.015% HD3 LYS+ 44 - HG3 PRO 59 11.111% * 0.0107% (0.15 1.0 1.00 0.02 0.02) = 0.011% 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): 4 chemical-shift based assignments, quality = 0.8, support = 2.65, residual support = 8.76: HA ILE 29 - HG LEU 17 25.000% * 77.2278% (0.84 3.26 11.28) = 77.228% kept HA ALA 93 - HG LEU 17 25.000% * 12.4267% (0.91 0.48 0.22) = 12.427% kept HA ASP- 36 - HG LEU 17 25.000% * 8.9061% (0.41 0.77 0.25) = 8.906% kept HA THR 106 - HG LEU 17 25.000% * 1.4394% (0.20 0.25 0.02) = 1.439% kept Peak 2618 (4.32, 0.99, 26.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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 2625 (1.55, 0.99, 26.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2629 (0.98, 0.99, 26.95 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 = 0.393, support = 2.43, residual support = 10.4: T QG2 ILE 29 - HG LEU 17 25.000% * 91.6522% (0.38 10.00 2.60 11.28) = 91.652% kept QG2 VAL 99 - HG LEU 17 25.000% * 3.9847% (0.71 1.00 0.47 0.15) = 3.985% kept QG2 VAL 73 - HG LEU 17 25.000% * 2.9663% (0.35 1.00 0.71 0.21) = 2.966% kept QG2 VAL 62 - HG LEU 17 25.000% * 1.3968% (0.26 1.00 0.44 0.02) = 1.397% kept Peak 2633 (0.84, 1.56, 27.04 ppm): 8 chemical-shift based assignments, quality = 0.65, support = 2.05, residual support = 35.4: T QD1 ILE 29 - HG LEU 17 12.500% * 54.3736% (0.82 1.0 10.00 1.44 11.28) = 54.374% kept O T QD2 LEU 17 - HG LEU 17 12.500% * 32.6101% (0.35 10.0 10.00 3.77 89.64) = 32.610% kept T QG1 VAL 13 - HG LEU 17 12.500% * 11.1412% (0.82 1.0 10.00 0.30 0.02) = 11.141% kept QG1 VAL 94 - HG LEU 17 12.500% * 0.8226% (0.57 1.0 1.00 0.31 8.81) = 0.823% QG2 VAL 13 - HG LEU 17 12.500% * 0.7699% (0.89 1.0 1.00 0.19 0.02) = 0.770% T QD2 LEU 90 - HG LEU 17 12.500% * 0.2416% (0.26 1.0 10.00 0.02 0.19) = 0.242% QD1 LEU 90 - HG LEU 17 12.500% * 0.0217% (0.23 1.0 1.00 0.02 0.19) = 0.022% QG2 ILE 100 - HG LEU 17 12.500% * 0.0193% (0.21 1.0 1.00 0.02 0.02) = 0.019% Peak 2634 (0.84, 0.99, 26.95 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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: 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, 67.58 ppm): 1 diagonal assignment: HA THR 46 - HA THR 46 (0.86) 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 = 0.781, support = 3.39, residual support = 24.5: O HB VAL 80 - HA VAL 80 10.000% * 92.8872% (0.78 10.0 3.59 26.28) = 92.887% kept HB2 LYS+ 44 - HA VAL 80 10.000% * 4.7573% (0.87 1.0 0.91 0.89) = 4.757% kept HB3 PRO 35 - HA VAL 80 10.000% * 1.9823% (0.95 1.0 0.35 0.02) = 1.982% kept HG3 GLU- 75 - HA VAL 80 10.000% * 0.1006% (0.84 1.0 0.02 0.02) = 0.101% HA1 GLY 58 - HA VAL 80 10.000% * 0.0566% (0.47 1.0 0.02 0.02) = 0.057% HB2 PRO 86 - HA VAL 80 10.000% * 0.0565% (0.47 1.0 0.02 0.02) = 0.056% HG3 GLU- 54 - HA VAL 80 10.000% * 0.0520% (0.43 1.0 0.02 0.02) = 0.052% HG2 GLU- 64 - HA VAL 80 10.000% * 0.0448% (0.37 1.0 0.02 0.02) = 0.045% HG3 GLU- 107 - HA VAL 80 10.000% * 0.0435% (0.36 1.0 0.02 0.02) = 0.044% HG3 GLU- 64 - HA VAL 80 10.000% * 0.0192% (0.16 1.0 0.02 0.02) = 0.019% 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): 3 chemical-shift based assignments, quality = 0.933, support = 2.71, residual support = 20.0: O T QG2 THR 46 - HA THR 46 33.333% * 97.5443% (0.95 10.0 10.00 2.76 20.50) = 97.544% kept QB ALA 103 - HA THR 46 33.333% * 1.7378% (0.50 1.0 1.00 0.68 0.40) = 1.738% kept HB2 LYS+ 55 - HA THR 46 33.333% * 0.7178% (0.26 1.0 1.00 0.53 0.85) = 0.718% Peak 2649 (0.91, 3.45, 67.57 ppm): 11 chemical-shift based assignments, quality = 0.689, support = 2.32, residual support = 26.0: O QG2 VAL 80 - HA VAL 80 9.091% * 72.9263% (0.84 10.0 2.00 26.28) = 72.926% kept O QG1 VAL 80 - HA VAL 80 9.091% * 25.9486% (0.30 10.0 3.32 26.28) = 25.949% kept QG1 VAL 47 - HA VAL 80 9.091% * 0.7588% (0.70 1.0 0.25 0.02) = 0.759% QD1 LEU 67 - HA VAL 80 9.091% * 0.0673% (0.77 1.0 0.02 0.02) = 0.067% HG12 ILE 68 - HA VAL 80 9.091% * 0.0577% (0.66 1.0 0.02 0.02) = 0.058% QG2 VAL 87 - HA VAL 80 9.091% * 0.0544% (0.63 1.0 0.02 0.02) = 0.054% QG2 VAL 40 - HA VAL 80 9.091% * 0.0544% (0.63 1.0 0.02 0.02) = 0.054% HB2 ARG+ 84 - HA VAL 80 9.091% * 0.0377% (0.43 1.0 0.02 0.02) = 0.038% QG2 VAL 105 - HA VAL 80 9.091% * 0.0346% (0.40 1.0 0.02 0.02) = 0.035% QD1 LEU 17 - HA VAL 80 9.091% * 0.0316% (0.36 1.0 0.02 0.02) = 0.032% QG1 VAL 105 - HA VAL 80 9.091% * 0.0287% (0.33 1.0 0.02 0.02) = 0.029% Peak 2651 (8.88, 0.91, 26.07 ppm): 3 chemical-shift based assignments, quality = 0.517, support = 3.96, residual support = 24.5: HN ILE 68 - QD1 LEU 67 33.333% * 76.6267% (0.39 4.98 31.78) = 76.627% kept HN ASP- 36 - QD1 LEU 67 33.333% * 23.1181% (0.94 0.63 0.56) = 23.118% kept HN GLN 102 - QD1 LEU 67 33.333% * 0.2552% (0.33 0.02 0.02) = 0.255% Peak 2652 (7.33, 3.08, 67.44 ppm): 6 chemical-shift based assignments, quality = 0.79, support = 3.78, residual support = 60.8: O HN VAL 47 - HA VAL 47 16.667% * 81.4051% (0.78 10.0 4.39 74.16) = 81.405% kept QD PHE 34 - HA VAL 47 16.667% * 6.1379% (0.83 1.0 1.42 2.89) = 6.138% kept QE PHE 34 - HA VAL 47 16.667% * 6.0603% (0.83 1.0 1.40 2.89) = 6.060% kept HZ PHE 34 - HA VAL 47 16.667% * 2.8923% (0.83 1.0 0.67 2.89) = 2.892% kept HZ2 TRP 51 - HA VAL 47 16.667% * 2.0936% (0.83 1.0 0.48 2.08) = 2.094% kept HN ARG+ 84 - HA VAL 47 16.667% * 1.4107% (0.75 1.0 0.36 0.02) = 1.411% kept Peak 2653 (7.05, 0.91, 26.07 ppm): 2 chemical-shift based assignments, quality = 0.822, support = 2.08, residual support = 2.39: T QE PHE 21 - QD1 LEU 67 50.000% * 58.3285% (0.88 10.00 2.37 2.94) = 58.328% kept T QD TYR 83 - QD1 LEU 67 50.000% * 41.6715% (0.74 10.00 1.69 1.62) = 41.672% kept Peak 2654 (6.89, 0.91, 26.06 ppm): 2 chemical-shift based assignments, quality = 0.802, support = 0.741, residual support = 2.51: QD PHE 21 - QD1 LEU 67 50.000% * 85.3208% (0.77 0.85 2.94) = 85.321% kept HD22 ASN 15 - QD1 LEU 67 50.000% * 14.6792% (0.97 0.12 0.02) = 14.679% kept Peak 2655 (5.57, 0.90, 26.07 ppm): 1 chemical-shift based assignment, quality = 0.927, support = 6.44, residual support = 78.4: T HA LEU 67 - QD1 LEU 67 100.000% *100.0000% (0.93 10.00 6.44 78.38) = 100.000% kept Peak 2656 (4.71, 0.91, 26.04 ppm): 6 chemical-shift based assignments, quality = 0.874, support = 0.554, residual support = 0.18: HA VAL 99 - QD1 LEU 67 16.667% * 42.3375% (0.95 0.75 0.33) = 42.338% kept HA GLN 16 - QD1 LEU 67 16.667% * 26.2849% (0.85 0.52 0.13) = 26.285% kept HA LYS+ 20 - QD1 LEU 67 16.667% * 16.3524% (0.64 0.43 0.02) = 16.352% kept HA THR 39 - QD1 LEU 67 16.667% * 12.7754% (0.95 0.23 0.02) = 12.775% kept HA THR 61 - QD1 LEU 67 16.667% * 1.1699% (0.99 0.02 0.02) = 1.170% kept HA2 GLY 30 - QD1 LEU 67 16.667% * 1.0799% (0.91 0.02 0.02) = 1.080% kept Not enough total support, support cutoff is 0.60 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): 10 chemical-shift based assignments, quality = 0.484, support = 2.32, residual support = 55.6: O HG LEU 67 - QD1 LEU 67 10.000% * 70.6966% (0.38 10.0 2.84 78.38) = 70.697% kept HD3 LYS+ 44 - QD1 LEU 67 10.000% * 13.0309% (0.84 1.0 1.69 0.54) = 13.031% kept QG2 THR 38 - QD1 LEU 67 10.000% * 5.8214% (0.85 1.0 0.74 0.12) = 5.821% kept HG13 ILE 100 - QD1 LEU 67 10.000% * 2.9433% (0.35 1.0 0.91 4.71) = 2.943% kept QB ALA 37 - QD1 LEU 67 10.000% * 2.5862% (0.55 1.0 0.51 0.02) = 2.586% kept QB ALA 91 - QD1 LEU 67 10.000% * 2.2677% (0.86 1.0 0.29 0.02) = 2.268% kept HG LEU 90 - QD1 LEU 67 10.000% * 1.7985% (0.55 1.0 0.35 0.02) = 1.799% kept HD3 LYS+ 20 - QD1 LEU 67 10.000% * 0.6449% (0.13 1.0 0.53 0.02) = 0.645% HG3 LYS+ 55 - QD1 LEU 67 10.000% * 0.1456% (0.79 1.0 0.02 0.02) = 0.146% QB ALA 93 - QD1 LEU 67 10.000% * 0.0648% (0.35 1.0 0.02 0.02) = 0.065% Peak 2662 (1.20, 0.91, 26.03 ppm): 4 chemical-shift based assignments, quality = 0.509, support = 5.97, residual support = 73.2: O HB2 LEU 67 - QD1 LEU 67 25.000% * 91.8327% (0.52 10.0 6.29 78.38) = 91.833% kept HB2 LEU 74 - QD1 LEU 67 25.000% * 8.1074% (0.38 1.0 2.39 14.85) = 8.107% kept HG12 ILE 100 - QD1 LEU 67 25.000% * 0.0300% (0.17 1.0 0.02 4.71) = 0.030% QG2 THR 106 - QD1 LEU 67 25.000% * 0.0300% (0.17 1.0 0.02 0.02) = 0.030% Peak 2664 (0.89, 3.08, 67.43 ppm): 7 chemical-shift based assignments, quality = 0.622, support = 3.77, residual support = 69.0: O QG1 VAL 47 - HA VAL 47 14.286% * 92.9784% (0.62 10.0 4.00 74.16) = 92.978% kept QD1 LEU 67 - HA VAL 47 14.286% * 4.5013% (0.55 1.0 1.10 0.61) = 4.501% kept QG1 VAL 80 - HA VAL 47 14.286% * 2.2340% (0.90 1.0 0.33 0.02) = 2.234% kept QG2 VAL 87 - HA VAL 47 14.286% * 0.1034% (0.69 1.0 0.02 0.02) = 0.103% QG2 VAL 40 - HA VAL 47 14.286% * 0.1034% (0.69 1.0 0.02 0.02) = 0.103% QG2 ILE 100 - HA VAL 47 14.286% * 0.0418% (0.28 1.0 0.02 0.02) = 0.042% QD1 LEU 90 - HA VAL 47 14.286% * 0.0376% (0.25 1.0 0.02 0.02) = 0.038% Peak 2665 (0.11, 3.08, 67.44 ppm): 1 chemical-shift based assignment, quality = 0.725, support = 3.22, residual support = 74.2: O T QG2 VAL 47 - HA VAL 47 100.000% *100.0000% (0.72 10.0 10.00 3.22 74.16) = 100.000% kept Peak 2666 (0.11, 0.91, 26.02 ppm): 1 chemical-shift based assignment, quality = 0.857, support = 0.508, residual support = 0.609: T QG2 VAL 47 - QD1 LEU 67 100.000% *100.0000% (0.86 10.00 0.51 0.61) = 100.000% kept Peak 2667 (8.82, 0.45, 25.58 ppm): 6 chemical-shift based assignments, quality = 0.78, support = 0.839, residual support = 0.642: HN LYS+ 32 - QD2 LEU 74 16.667% * 43.8098% (0.82 1.08 1.05) = 43.810% kept HN ASN 57 - QD2 LEU 74 16.667% * 29.3515% (0.78 0.76 0.38) = 29.352% kept HN LYS+ 60 - QD2 LEU 74 16.667% * 23.4181% (0.79 0.59 0.29) = 23.418% kept HN LYS+ 32 - QD2 LEU 43 16.667% * 2.9235% (0.26 0.23 0.02) = 2.923% kept HN LYS+ 60 - QD2 LEU 43 16.667% * 0.2511% (0.25 0.02 0.13) = 0.251% HN ASN 57 - QD2 LEU 43 16.667% * 0.2461% (0.25 0.02 0.02) = 0.246% Peak 2668 (8.47, 0.45, 25.58 ppm): 10 chemical-shift based assignments, quality = 0.583, support = 4.59, residual support = 78.2: HN LEU 74 - QD2 LEU 74 10.000% * 72.3506% (0.52 6.13 107.93) = 72.351% kept HN GLU- 107 - QD2 LEU 74 10.000% * 12.1217% (0.85 0.62 0.36) = 12.122% kept HN GLY 92 - QD2 LEU 74 10.000% * 11.2363% (0.81 0.61 0.24) = 11.236% kept HN GLU- 18 - QD2 LEU 74 10.000% * 3.6963% (0.45 0.36 0.02) = 3.696% kept HN GLU- 107 - QD2 LEU 43 10.000% * 0.1350% (0.30 0.02 0.02) = 0.135% HN GLU- 10 - QD2 LEU 74 10.000% * 0.1327% (0.29 0.02 0.02) = 0.133% HN GLY 92 - QD2 LEU 43 10.000% * 0.1280% (0.28 0.02 0.02) = 0.128% HN LEU 74 - QD2 LEU 43 10.000% * 0.0821% (0.18 0.02 0.02) = 0.082% HN GLU- 18 - QD2 LEU 43 10.000% * 0.0712% (0.16 0.02 0.02) = 0.071% HN GLU- 10 - QD2 LEU 43 10.000% * 0.0461% (0.10 0.02 0.02) = 0.046% Peak 2669 (7.99, 1.62, 25.69 ppm): 2 chemical-shift based assignments, quality = 0.807, support = 5.25, residual support = 147.0: HN LEU 43 - HG LEU 43 50.000% * 99.1837% (0.81 5.29 148.16) = 99.184% kept HN SER 27 - HG LEU 43 50.000% * 0.8163% (0.40 0.09 0.02) = 0.816% Peak 2670 (7.98, 0.48, 25.65 ppm): 4 chemical-shift based assignments, quality = 0.357, support = 5.47, residual support = 147.0: HN LEU 43 - QD2 LEU 43 25.000% * 99.2366% (0.36 5.51 148.16) = 99.237% kept HN LEU 43 - QD2 LEU 74 25.000% * 0.4116% (0.41 0.02 0.02) = 0.412% HN SER 27 - QD2 LEU 43 25.000% * 0.2796% (0.06 0.09 0.02) = 0.280% HN SER 27 - QD2 LEU 74 25.000% * 0.0722% (0.07 0.02 0.02) = 0.072% Peak 2671 (4.99, 0.45, 25.51 ppm): 8 chemical-shift based assignments, quality = 0.787, support = 2.96, residual support = 15.0: HA SER 69 - QD2 LEU 74 12.500% * 43.9401% (0.84 3.87 31.90) = 43.940% kept HA ILE 68 - QD2 LEU 74 12.500% * 35.5740% (0.87 3.05 2.28) = 35.574% kept HA PRO 31 - QD2 LEU 74 12.500% * 6.7411% (0.91 0.55 0.02) = 6.741% kept HA ILE 68 - QD2 LEU 43 12.500% * 5.3231% (0.34 1.15 1.23) = 5.323% kept HA MET 97 - QD2 LEU 74 12.500% * 4.6865% (0.35 0.99 0.99) = 4.687% kept HA SER 69 - QD2 LEU 43 12.500% * 3.6007% (0.33 0.80 1.96) = 3.601% kept HA PRO 31 - QD2 LEU 43 12.500% * 0.0968% (0.36 0.02 4.84) = 0.097% HA MET 97 - QD2 LEU 43 12.500% * 0.0377% (0.14 0.02 0.02) = 0.038% Peak 2672 (3.72, 0.47, 25.58 ppm): 10 chemical-shift based assignments, quality = 0.407, support = 3.35, residual support = 32.1: T HB3 SER 69 - QD2 LEU 74 10.000% * 57.4609% (0.49 10.00 3.97 31.90) = 57.461% kept T HB3 SER 69 - QD2 LEU 43 10.000% * 33.4686% (0.30 10.00 1.89 1.96) = 33.469% kept HA LEU 43 - QD2 LEU 43 10.000% * 8.8709% (0.30 1.00 5.00 148.16) = 8.871% kept HA LEU 43 - QD2 LEU 74 10.000% * 0.0575% (0.49 1.00 0.02 0.02) = 0.057% HA LYS+ 81 - QD2 LEU 74 10.000% * 0.0323% (0.27 1.00 0.02 0.02) = 0.032% HD3 PRO 104 - QD2 LEU 74 10.000% * 0.0292% (0.25 1.00 0.02 0.02) = 0.029% HB2 TRP 51 - QD2 LEU 74 10.000% * 0.0263% (0.22 1.00 0.02 0.02) = 0.026% HA LYS+ 81 - QD2 LEU 43 10.000% * 0.0199% (0.17 1.00 0.02 0.11) = 0.020% HD3 PRO 104 - QD2 LEU 43 10.000% * 0.0181% (0.15 1.00 0.02 0.02) = 0.018% HB2 TRP 51 - QD2 LEU 43 10.000% * 0.0163% (0.14 1.00 0.02 0.02) = 0.016% Peak 2673 (3.45, 0.48, 25.58 ppm): 12 chemical-shift based assignments, quality = 0.487, support = 1.65, residual support = 3.05: HA VAL 40 - QD2 LEU 43 8.333% * 24.8139% (0.56 2.06 2.79) = 24.814% kept HA VAL 80 - QD2 LEU 43 8.333% * 23.6242% (0.56 1.97 5.12) = 23.624% kept HD3 PRO 31 - QD2 LEU 43 8.333% * 18.1563% (0.45 1.88 4.84) = 18.156% kept HA VAL 62 - QD2 LEU 43 8.333% * 12.3981% (0.43 1.34 1.15) = 12.398% kept HA1 GLY 71 - QD2 LEU 43 8.333% * 9.2289% (0.36 1.18 1.12) = 9.229% kept HD3 PRO 31 - QD2 LEU 74 8.333% * 4.0035% (0.47 0.40 0.02) = 4.004% kept HA ILE 48 - QD2 LEU 43 8.333% * 3.8765% (0.23 0.78 0.12) = 3.877% kept HA VAL 80 - QD2 LEU 74 8.333% * 3.1969% (0.58 0.26 0.58) = 3.197% kept HA VAL 40 - QD2 LEU 74 8.333% * 0.2483% (0.58 0.02 0.02) = 0.248% HA VAL 62 - QD2 LEU 74 8.333% * 0.1902% (0.44 0.02 0.02) = 0.190% HA1 GLY 71 - QD2 LEU 74 8.333% * 0.1610% (0.38 0.02 0.02) = 0.161% HA ILE 48 - QD2 LEU 74 8.333% * 0.1023% (0.24 0.02 0.02) = 0.102% Peak 2674 (2.11, 0.48, 25.60 ppm): 22 chemical-shift based assignments, quality = 0.465, support = 4.21, residual support = 118.1: O T HB3 LEU 43 - QD2 LEU 43 4.545% * 79.2543% (0.49 10.0 10.00 4.62 148.16) = 79.254% kept HB3 GLU- 75 - QD2 LEU 74 4.545% * 14.0283% (0.45 1.0 1.00 3.83 5.01) = 14.028% kept HB3 GLU- 75 - QD2 LEU 43 4.545% * 1.2279% (0.47 1.0 1.00 0.32 0.02) = 1.228% kept HB3 PRO 35 - QD2 LEU 74 4.545% * 1.2100% (0.17 1.0 1.00 0.88 0.99) = 1.210% kept HB VAL 87 - QD2 LEU 43 4.545% * 1.2093% (0.49 1.0 1.00 0.31 0.02) = 1.209% kept HB3 PRO 35 - QD2 LEU 43 4.545% * 0.9082% (0.18 1.0 1.00 0.63 0.02) = 0.908% T HB3 LEU 43 - QD2 LEU 74 4.545% * 0.7532% (0.46 1.0 10.00 0.02 0.02) = 0.753% HA1 GLY 58 - QD2 LEU 74 4.545% * 0.5638% (0.10 1.0 1.00 0.68 0.02) = 0.564% HA1 GLY 58 - QD2 LEU 43 4.545% * 0.1812% (0.11 1.0 1.00 0.21 0.02) = 0.181% HB VAL 87 - QD2 LEU 74 4.545% * 0.0753% (0.46 1.0 1.00 0.02 0.02) = 0.075% HG3 GLU- 64 - QD2 LEU 43 4.545% * 0.0703% (0.43 1.0 1.00 0.02 0.02) = 0.070% HG3 GLU- 64 - QD2 LEU 74 4.545% * 0.0668% (0.41 1.0 1.00 0.02 0.02) = 0.067% HB VAL 105 - QD2 LEU 43 4.545% * 0.0647% (0.40 1.0 1.00 0.02 0.02) = 0.065% HB VAL 105 - QD2 LEU 74 4.545% * 0.0615% (0.38 1.0 1.00 0.02 0.02) = 0.062% HB VAL 65 - QD2 LEU 43 4.545% * 0.0523% (0.32 1.0 1.00 0.02 0.02) = 0.052% HB VAL 65 - QD2 LEU 74 4.545% * 0.0497% (0.31 1.0 1.00 0.02 0.02) = 0.050% HG2 GLU- 45 - QD2 LEU 43 4.545% * 0.0490% (0.30 1.0 1.00 0.02 0.02) = 0.049% HG2 GLU- 45 - QD2 LEU 74 4.545% * 0.0466% (0.29 1.0 1.00 0.02 0.02) = 0.047% HG2 GLU- 64 - QD2 LEU 43 4.545% * 0.0404% (0.25 1.0 1.00 0.02 0.02) = 0.040% HG2 GLU- 64 - QD2 LEU 74 4.545% * 0.0384% (0.24 1.0 1.00 0.02 0.02) = 0.038% HB2 ASP- 28 - QD2 LEU 43 4.545% * 0.0250% (0.15 1.0 1.00 0.02 0.02) = 0.025% HB2 ASP- 28 - QD2 LEU 74 4.545% * 0.0237% (0.15 1.0 1.00 0.02 0.02) = 0.024% Peak 2675 (1.63, 0.91, 25.78 ppm): 7 chemical-shift based assignments, quality = 0.419, support = 2.89, residual support = 20.2: T HB ILE 68 - QD1 LEU 67 14.286% * 57.6183% (0.43 10.00 4.04 31.78) = 57.618% kept T HG LEU 43 - QD1 LEU 67 14.286% * 38.8922% (0.43 10.00 1.35 4.82) = 38.892% kept HB3 ARG+ 22 - QD1 LEU 67 14.286% * 2.4509% (0.23 1.00 1.61 0.13) = 2.451% kept HG12 ILE 101 - QD1 LEU 67 14.286% * 0.9262% (0.44 1.00 0.31 0.02) = 0.926% HG LEU 23 - QD1 LEU 67 14.286% * 0.0612% (0.45 1.00 0.02 0.02) = 0.061% HG3 LYS+ 78 - QD1 LEU 67 14.286% * 0.0429% (0.32 1.00 0.02 0.02) = 0.043% HD3 LYS+ 32 - QD1 LEU 67 14.286% * 0.0084% (0.06 1.00 0.02 0.02) = 0.008% Peak 2676 (1.64, 0.48, 25.61 ppm): 18 chemical-shift based assignments, quality = 0.273, support = 3.56, residual support = 115.1: O T HG LEU 43 - QD2 LEU 43 5.556% * 77.4694% (0.28 10.0 10.00 4.08 148.16) = 77.469% kept HB ILE 68 - QD2 LEU 74 5.556% * 10.5071% (0.32 1.0 1.00 2.40 2.28) = 10.507% kept HB ILE 68 - QD2 LEU 43 5.556% * 4.6926% (0.28 1.0 1.00 1.21 1.23) = 4.693% kept HB3 LYS+ 66 - QD2 LEU 74 5.556% * 4.1836% (0.16 1.0 1.00 1.88 0.43) = 4.184% kept HB3 MET 97 - QD2 LEU 74 5.556% * 1.4379% (0.10 1.0 1.00 1.01 0.99) = 1.438% kept T HG LEU 43 - QD2 LEU 74 5.556% * 0.8755% (0.32 1.0 10.00 0.02 0.02) = 0.875% HB3 ARG+ 22 - QD2 LEU 74 5.556% * 0.1206% (0.44 1.0 1.00 0.02 0.40) = 0.121% HB3 ARG+ 22 - QD2 LEU 43 5.556% * 0.1067% (0.39 1.0 1.00 0.02 0.02) = 0.107% HG LEU 23 - QD2 LEU 74 5.556% * 0.1048% (0.38 1.0 1.00 0.02 0.02) = 0.105% HG12 ILE 101 - QD2 LEU 74 5.556% * 0.0934% (0.34 1.0 1.00 0.02 0.13) = 0.093% HG LEU 23 - QD2 LEU 43 5.556% * 0.0927% (0.34 1.0 1.00 0.02 0.02) = 0.093% HG12 ILE 101 - QD2 LEU 43 5.556% * 0.0826% (0.30 1.0 1.00 0.02 0.02) = 0.083% HG3 LYS+ 78 - QD2 LEU 74 5.556% * 0.0492% (0.18 1.0 1.00 0.02 0.02) = 0.049% HG3 LYS+ 78 - QD2 LEU 43 5.556% * 0.0436% (0.16 1.0 1.00 0.02 0.02) = 0.044% HB ILE 100 - QD2 LEU 74 5.556% * 0.0401% (0.15 1.0 1.00 0.02 0.02) = 0.040% HB3 LYS+ 66 - QD2 LEU 43 5.556% * 0.0394% (0.14 1.0 1.00 0.02 0.02) = 0.039% HB ILE 100 - QD2 LEU 43 5.556% * 0.0355% (0.13 1.0 1.00 0.02 0.02) = 0.036% HB3 MET 97 - QD2 LEU 43 5.556% * 0.0253% (0.09 1.0 1.00 0.02 0.02) = 0.025% Peak 2677 (1.46, 0.47, 25.55 ppm): 18 chemical-shift based assignments, quality = 0.495, support = 2.42, residual support = 10.3: T HB3 LEU 67 - QD2 LEU 74 5.556% * 55.7847% (0.54 10.00 3.09 14.85) = 55.785% kept T HB3 LEU 67 - QD2 LEU 43 5.556% * 37.2668% (0.45 10.00 1.61 4.82) = 37.267% kept HG3 LYS+ 60 - QD2 LEU 74 5.556% * 2.3924% (0.75 1.00 0.62 0.29) = 2.392% kept QB ALA 70 - QD2 LEU 74 5.556% * 1.6978% (0.15 1.00 2.23 0.27) = 1.698% kept HB3 LYS+ 44 - QD2 LEU 43 5.556% * 1.6696% (0.14 1.00 2.35 14.75) = 1.670% kept HG13 ILE 48 - QD2 LEU 74 5.556% * 0.4367% (0.72 1.00 0.12 0.02) = 0.437% HG2 PRO 59 - QD2 LEU 74 5.556% * 0.3380% (0.75 1.00 0.09 0.02) = 0.338% HB3 LYS+ 44 - QD2 LEU 74 5.556% * 0.0812% (0.17 1.00 0.09 0.02) = 0.081% HG3 LYS+ 60 - QD2 LEU 43 5.556% * 0.0638% (0.62 1.00 0.02 0.13) = 0.064% HG2 PRO 59 - QD2 LEU 43 5.556% * 0.0638% (0.62 1.00 0.02 0.02) = 0.064% HG13 ILE 48 - QD2 LEU 43 5.556% * 0.0617% (0.60 1.00 0.02 0.12) = 0.062% HG LEU 90 - QD2 LEU 74 5.556% * 0.0404% (0.39 1.00 0.02 0.02) = 0.040% HG LEU 90 - QD2 LEU 43 5.556% * 0.0336% (0.33 1.00 0.02 0.02) = 0.034% HG3 LYS+ 55 - QD2 LEU 74 5.556% * 0.0192% (0.19 1.00 0.02 0.02) = 0.019% HG3 LYS+ 55 - QD2 LEU 43 5.556% * 0.0159% (0.16 1.00 0.02 0.02) = 0.016% QB ALA 70 - QD2 LEU 43 5.556% * 0.0127% (0.12 1.00 0.02 0.02) = 0.013% QG2 THR 38 - QD2 LEU 74 5.556% * 0.0119% (0.12 1.00 0.02 0.02) = 0.012% QG2 THR 38 - QD2 LEU 43 5.556% * 0.0099% (0.10 1.00 0.02 1.21) = 0.010% Peak 2679 (1.19, 0.47, 25.61 ppm): 10 chemical-shift based assignments, quality = 0.423, support = 4.4, residual support = 90.7: O T HB2 LEU 74 - QD2 LEU 74 10.000% * 57.8476% (0.61 10.0 10.00 5.37 107.93) = 57.848% kept O T HB2 LEU 43 - QD2 LEU 43 10.000% * 17.2215% (0.18 10.0 10.00 5.06 148.16) = 17.222% kept T HB2 LEU 67 - QD2 LEU 74 10.000% * 15.2904% (0.18 1.0 10.00 1.77 14.85) = 15.290% kept T HB2 LEU 67 - QD2 LEU 43 10.000% * 8.9227% (0.11 1.0 10.00 1.71 4.82) = 8.923% kept T HB2 LEU 74 - QD2 LEU 43 10.000% * 0.3499% (0.37 1.0 10.00 0.02 0.02) = 0.350% T HB2 LEU 43 - QD2 LEU 74 10.000% * 0.2847% (0.30 1.0 10.00 0.02 0.02) = 0.285% QG2 THR 106 - QD2 LEU 74 10.000% * 0.0364% (0.38 1.0 1.00 0.02 0.02) = 0.036% QG2 THR 106 - QD2 LEU 43 10.000% * 0.0220% (0.23 1.0 1.00 0.02 0.02) = 0.022% HG3 PRO 59 - QD2 LEU 74 10.000% * 0.0154% (0.16 1.0 1.00 0.02 0.02) = 0.015% HG3 PRO 59 - QD2 LEU 43 10.000% * 0.0093% (0.10 1.0 1.00 0.02 0.02) = 0.009% Peak 2682 (0.91, 1.62, 25.80 ppm): 12 chemical-shift based assignments, quality = 0.516, support = 1.29, residual support = 3.55: QG2 VAL 80 - HG LEU 43 8.333% * 33.1769% (0.65 1.78 5.12) = 33.177% kept QD1 LEU 67 - HG LEU 43 8.333% * 21.3899% (0.55 1.35 4.82) = 21.390% kept HG12 ILE 68 - HG LEU 43 8.333% * 12.6731% (0.53 0.84 1.23) = 12.673% kept QG1 VAL 47 - HG LEU 43 8.333% * 12.4455% (0.50 0.87 0.25) = 12.445% kept QG1 VAL 80 - HG LEU 43 8.333% * 9.7877% (0.20 1.70 5.12) = 9.788% kept QG2 VAL 40 - HG LEU 43 8.333% * 4.4805% (0.44 0.36 2.79) = 4.480% kept QG2 VAL 87 - HG LEU 43 8.333% * 3.0322% (0.44 0.24 0.02) = 3.032% kept QG2 VAL 105 - HG LEU 43 8.333% * 0.9592% (0.33 0.10 0.02) = 0.959% QG2 VAL 62 - HG LEU 43 8.333% * 0.8978% (0.10 0.32 1.15) = 0.898% QG1 VAL 105 - HG LEU 43 8.333% * 0.7849% (0.27 0.10 0.02) = 0.785% HB2 ARG+ 84 - HG LEU 43 8.333% * 0.2018% (0.35 0.02 0.02) = 0.202% QD1 LEU 17 - HG LEU 43 8.333% * 0.1705% (0.30 0.02 0.02) = 0.170% Peak 2683 (0.89, 0.48, 25.57 ppm): 14 chemical-shift based assignments, quality = 0.464, support = 2.45, residual support = 6.19: QD1 LEU 67 - QD2 LEU 74 7.143% * 29.3955% (0.41 4.21 14.85) = 29.396% kept QD1 LEU 67 - QD2 LEU 43 7.143% * 23.4758% (0.40 3.39 4.82) = 23.476% kept QG1 VAL 80 - QD2 LEU 74 7.143% * 13.5172% (0.59 1.33 0.58) = 13.517% kept QG1 VAL 80 - QD2 LEU 43 7.143% * 10.2797% (0.59 1.02 5.12) = 10.280% kept QG1 VAL 47 - QD2 LEU 74 7.143% * 5.6517% (0.45 0.73 0.02) = 5.652% kept QG2 VAL 87 - QD2 LEU 74 7.143% * 5.6142% (0.50 0.66 0.02) = 5.614% kept QG1 VAL 47 - QD2 LEU 43 7.143% * 4.5497% (0.45 0.59 0.25) = 4.550% kept QG2 VAL 40 - QD2 LEU 74 7.143% * 4.4057% (0.50 0.52 0.02) = 4.406% kept QG2 VAL 40 - QD2 LEU 43 7.143% * 2.7507% (0.49 0.33 2.79) = 2.751% kept QG2 VAL 87 - QD2 LEU 43 7.143% * 0.1686% (0.49 0.02 0.02) = 0.169% QG2 ILE 100 - QD2 LEU 74 7.143% * 0.0507% (0.15 0.02 0.02) = 0.051% QG2 ILE 100 - QD2 LEU 43 7.143% * 0.0503% (0.15 0.02 0.02) = 0.050% QD1 LEU 90 - QD2 LEU 74 7.143% * 0.0453% (0.13 0.02 0.02) = 0.045% QD1 LEU 90 - QD2 LEU 43 7.143% * 0.0449% (0.13 0.02 0.02) = 0.045% Peak 2687 (0.48, 1.62, 25.63 ppm): 2 chemical-shift based assignments, quality = 0.939, support = 4.06, residual support = 147.6: O T QD2 LEU 43 - HG LEU 43 50.000% * 99.6478% (0.94 10.0 10.00 4.08 148.16) = 99.648% kept T QD2 LEU 74 - HG LEU 43 50.000% * 0.3522% (0.33 1.0 10.00 0.02 0.02) = 0.352% 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 = 5.22, residual support = 148.2: O T QD1 LEU 43 - HG LEU 43 100.000% *100.0000% (0.98 10.0 10.00 5.22 148.16) = 100.000% kept Peak 2693 (8.60, 0.89, 25.32 ppm): 8 chemical-shift based assignments, quality = 0.0669, support = 0.296, residual support = 0.455: HN THR 39 - QD1 LEU 90 12.500% * 36.3640% (0.07 0.34 0.47) = 36.364% kept HN LYS+ 20 - QD1 LEU 17 12.500% * 35.9291% (0.06 0.39 0.77) = 35.929% kept HN LYS+ 20 - QD1 LEU 90 12.500% * 20.8088% (0.09 0.14 0.02) = 20.809% kept HN VAL 80 - QD1 LEU 90 12.500% * 2.0060% (0.06 0.02 0.02) = 2.006% kept HN VAL 73 - QD1 LEU 90 12.500% * 1.5094% (0.05 0.02 0.02) = 1.509% kept HN THR 39 - QD1 LEU 17 12.500% * 1.2763% (0.04 0.02 0.02) = 1.276% kept HN VAL 80 - QD1 LEU 17 12.500% * 1.2020% (0.04 0.02 0.02) = 1.202% kept HN VAL 73 - QD1 LEU 17 12.500% * 0.9044% (0.03 0.02 0.21) = 0.904% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2694 (7.84, 1.40, 25.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2695 (4.04, 0.90, 25.23 ppm): 10 chemical-shift based assignments, quality = 0.0415, support = 0.104, residual support = 0.033: T HB3 SER 49 - QD1 LEU 17 10.000% * 56.3499% (0.03 10.00 0.16 0.02) = 56.350% kept T HA VAL 13 - QD1 LEU 90 10.000% * 15.0802% (0.06 10.00 0.02 0.02) = 15.080% kept T HB THR 38 - QD1 LEU 17 10.000% * 12.1674% (0.05 10.00 0.02 0.02) = 12.167% kept HB2 SER 49 - QD1 LEU 17 10.000% * 5.3013% (0.03 1.00 0.16 0.02) = 5.301% kept HB3 SER 85 - QD1 LEU 90 10.000% * 3.7091% (0.14 1.00 0.02 0.02) = 3.709% kept HB3 SER 85 - QD1 LEU 17 10.000% * 2.5053% (0.10 1.00 0.02 0.54) = 2.505% kept HB THR 38 - QD1 LEU 90 10.000% * 1.8014% (0.07 1.00 0.02 0.02) = 1.801% kept HB3 SER 49 - QD1 LEU 90 10.000% * 1.0650% (0.04 1.00 0.02 0.02) = 1.065% kept HA VAL 13 - QD1 LEU 17 10.000% * 1.0186% (0.04 1.00 0.02 0.02) = 1.019% kept HB2 SER 49 - QD1 LEU 90 10.000% * 1.0019% (0.04 1.00 0.02 0.02) = 1.002% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2696 (3.50, 1.95, 25.37 ppm): 2 chemical-shift based assignments, quality = 0.846, support = 4.56, residual support = 15.1: HA1 GLY 30 - HG3 PRO 31 50.000% * 97.8704% (0.86 4.65 15.37) = 97.870% kept HA LYS+ 44 - HG3 PRO 31 50.000% * 2.1296% (0.15 0.57 0.96) = 2.130% kept Peak 2697 (3.49, 1.77, 25.40 ppm): 4 chemical-shift based assignments, quality = 0.694, support = 5.51, residual support = 15.3: HA1 GLY 30 - HG2 PRO 31 25.000% * 99.4734% (0.70 5.54 15.37) = 99.473% kept HA1 GLY 30 - HG3 LYS+ 63 25.000% * 0.3800% (0.74 0.02 0.02) = 0.380% HA1 GLY 71 - HG3 LYS+ 63 25.000% * 0.0754% (0.15 0.02 0.02) = 0.075% HA1 GLY 71 - HG2 PRO 31 25.000% * 0.0712% (0.14 0.02 0.02) = 0.071% Peak 2698 (2.27, 0.90, 25.33 ppm): 28 chemical-shift based assignments, quality = 0.0471, support = 0.256, residual support = 0.0881: T HB3 PRO 35 - QD1 LEU 17 3.571% * 32.0929% (0.05 10.00 0.11 0.02) = 32.093% kept T HB VAL 80 - QD1 LEU 17 3.571% * 24.4917% (0.06 10.00 0.08 0.02) = 24.492% kept HA1 GLY 58 - QD1 LEU 90 3.571% * 16.1494% (0.04 1.00 0.85 0.45) = 16.149% kept HB VAL 80 - QD1 LEU 90 3.571% * 7.9677% (0.08 1.00 0.20 0.02) = 7.968% kept HA1 GLY 58 - QD1 LEU 17 3.571% * 7.3476% (0.03 1.00 0.54 0.02) = 7.348% kept HB2 LYS+ 44 - QD1 LEU 17 3.571% * 2.4621% (0.03 1.00 0.16 0.02) = 2.462% kept HG3 GLU- 107 - QD1 LEU 17 3.571% * 1.7736% (0.04 1.00 0.08 0.02) = 1.774% kept T HB2 PRO 86 - QD1 LEU 17 3.571% * 1.0218% (0.01 10.00 0.02 0.02) = 1.022% kept HG3 GLU- 75 - QD1 LEU 90 3.571% * 0.8018% (0.08 1.00 0.02 1.95) = 0.802% HB3 PRO 35 - QD1 LEU 90 3.571% * 0.7759% (0.08 1.00 0.02 0.02) = 0.776% HG3 GLU- 54 - QD1 LEU 90 3.571% * 0.6757% (0.07 1.00 0.02 0.02) = 0.676% HG3 GLU- 107 - QD1 LEU 90 3.571% * 0.6182% (0.06 1.00 0.02 0.02) = 0.618% HG3 GLU- 75 - QD1 LEU 17 3.571% * 0.5783% (0.06 1.00 0.02 0.02) = 0.578% HG3 GLU- 54 - QD1 LEU 17 3.571% * 0.4873% (0.05 1.00 0.02 0.02) = 0.487% HB2 LYS+ 44 - QD1 LEU 90 3.571% * 0.4256% (0.04 1.00 0.02 0.02) = 0.426% HG2 GLU- 64 - QD1 LEU 90 3.571% * 0.3821% (0.04 1.00 0.02 0.02) = 0.382% HG2 GLU- 64 - QD1 LEU 17 3.571% * 0.2756% (0.03 1.00 0.02 0.02) = 0.276% HB3 ASN 15 - QD1 LEU 90 3.571% * 0.2497% (0.02 1.00 0.02 0.14) = 0.250% HG2 GLU- 56 - QD1 LEU 90 3.571% * 0.1801% (0.02 1.00 0.02 0.02) = 0.180% HB3 ASN 15 - QD1 LEU 17 3.571% * 0.1801% (0.02 1.00 0.02 0.29) = 0.180% HG3 GLU- 64 - QD1 LEU 90 3.571% * 0.1749% (0.02 1.00 0.02 0.02) = 0.175% HG3 GLU- 10 - QD1 LEU 90 3.571% * 0.1601% (0.02 1.00 0.02 0.02) = 0.160% HB2 PRO 86 - QD1 LEU 90 3.571% * 0.1417% (0.01 1.00 0.02 0.02) = 0.142% HG2 GLU- 56 - QD1 LEU 17 3.571% * 0.1299% (0.01 1.00 0.02 0.02) = 0.130% HG3 GLU- 64 - QD1 LEU 17 3.571% * 0.1262% (0.01 1.00 0.02 0.02) = 0.126% HG3 GLU- 56 - QD1 LEU 90 3.571% * 0.1248% (0.01 1.00 0.02 0.02) = 0.125% HG3 GLU- 10 - QD1 LEU 17 3.571% * 0.1155% (0.01 1.00 0.02 0.12) = 0.115% HG3 GLU- 56 - QD1 LEU 17 3.571% * 0.0900% (0.01 1.00 0.02 0.02) = 0.090% Not enough support, support cutoff is 0.30 Peak unassigned. 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): 14 chemical-shift based assignments, quality = 0.624, support = 3.72, residual support = 27.2: O T HG3 PRO 31 - HG2 PRO 31 7.143% * 94.0562% (0.66 10.0 10.00 3.95 28.87) = 94.056% kept T HG3 PRO 31 - HG3 LYS+ 63 7.143% * 0.9872% (0.70 1.0 10.00 0.02 0.02) = 0.987% T HB3 LYS+ 55 - HG3 LYS+ 63 7.143% * 0.9549% (0.67 1.0 10.00 0.02 0.57) = 0.955% T HB3 LYS+ 55 - HG2 PRO 31 7.143% * 0.9097% (0.64 1.0 10.00 0.02 0.35) = 0.910% T HB2 GLU- 75 - HG3 LYS+ 63 7.143% * 0.7562% (0.53 1.0 10.00 0.02 0.02) = 0.756% T HB2 GLU- 75 - HG2 PRO 31 7.143% * 0.7204% (0.51 1.0 10.00 0.02 0.02) = 0.720% T HB VAL 73 - HG3 LYS+ 63 7.143% * 0.6232% (0.44 1.0 10.00 0.02 0.02) = 0.623% T HB VAL 73 - HG2 PRO 31 7.143% * 0.5938% (0.42 1.0 10.00 0.02 0.02) = 0.594% HB VAL 13 - HG3 LYS+ 63 7.143% * 0.1091% (0.77 1.0 1.00 0.02 0.02) = 0.109% HB VAL 13 - HG2 PRO 31 7.143% * 0.1039% (0.73 1.0 1.00 0.02 0.02) = 0.104% HG3 PRO 104 - HG3 LYS+ 63 7.143% * 0.0536% (0.38 1.0 1.00 0.02 0.02) = 0.054% HG3 PRO 104 - HG2 PRO 31 7.143% * 0.0510% (0.36 1.0 1.00 0.02 0.02) = 0.051% HB2 GLU- 10 - HG3 LYS+ 63 7.143% * 0.0413% (0.29 1.0 1.00 0.02 0.02) = 0.041% HB2 GLU- 10 - HG2 PRO 31 7.143% * 0.0394% (0.28 1.0 1.00 0.02 0.02) = 0.039% 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): 3 chemical-shift based assignments, quality = 0.639, support = 2.24, residual support = 19.4: HB2 GLN 16 - QD2 LEU 17 33.333% * 92.0292% (0.68 2.37 21.02) = 92.029% kept HB3 LEU 23 - QD2 LEU 17 33.333% * 7.6737% (0.17 0.78 0.19) = 7.674% kept HB ILE 48 - QD2 LEU 17 33.333% * 0.2971% (0.26 0.02 0.02) = 0.297% Peak 2705 (0.73, 3.44, 66.58 ppm): 16 chemical-shift based assignments, quality = 0.571, support = 3.22, residual support = 31.1: O QG1 VAL 40 - HA VAL 40 6.250% * 90.5163% (0.58 10.0 3.45 34.09) = 90.516% kept QG2 ILE 48 - HA VAL 62 6.250% * 5.5445% (0.57 1.0 1.26 4.15) = 5.545% kept QG2 ILE 48 - HA VAL 40 6.250% * 3.0267% (0.39 1.0 1.00 0.19) = 3.027% kept QD1 ILE 68 - HA VAL 62 6.250% * 0.1328% (0.86 1.0 0.02 0.02) = 0.133% QG1 VAL 40 - HA VAL 62 6.250% * 0.1325% (0.85 1.0 0.02 0.02) = 0.133% HG3 LYS+ 66 - HA VAL 62 6.250% * 0.1110% (0.71 1.0 0.02 0.02) = 0.111% HG LEU 74 - HA VAL 62 6.250% * 0.0965% (0.62 1.0 0.02 0.02) = 0.096% QD1 ILE 68 - HA VAL 40 6.250% * 0.0907% (0.58 1.0 0.02 0.02) = 0.091% HG3 LYS+ 66 - HA VAL 40 6.250% * 0.0758% (0.49 1.0 0.02 0.02) = 0.076% QG2 ILE 101 - HA VAL 62 6.250% * 0.0696% (0.45 1.0 0.02 0.02) = 0.070% HG LEU 74 - HA VAL 40 6.250% * 0.0659% (0.42 1.0 0.02 0.02) = 0.066% QG2 ILE 101 - HA VAL 40 6.250% * 0.0475% (0.31 1.0 0.02 0.69) = 0.048% QG2 THR 96 - HA VAL 62 6.250% * 0.0331% (0.21 1.0 0.02 0.02) = 0.033% QG2 THR 96 - HA VAL 40 6.250% * 0.0226% (0.15 1.0 0.02 0.02) = 0.023% HG3 LYS+ 44 - HA VAL 62 6.250% * 0.0205% (0.13 1.0 0.02 0.77) = 0.020% HG3 LYS+ 44 - HA VAL 40 6.250% * 0.0140% (0.09 1.0 0.02 0.38) = 0.014% Peak 2706 (0.69, 1.77, 25.28 ppm): 16 chemical-shift based assignments, quality = 0.627, support = 0.297, residual support = 3.58: QG2 ILE 48 - HG3 LYS+ 63 6.250% * 21.6211% (0.77 0.34 0.02) = 21.621% kept QG1 VAL 62 - HG3 LYS+ 63 6.250% * 19.7543% (0.50 0.47 17.73) = 19.754% kept QG2 VAL 94 - HG3 LYS+ 63 6.250% * 17.3665% (0.77 0.27 0.25) = 17.366% kept QG2 THR 96 - HG3 LYS+ 63 6.250% * 12.6507% (0.34 0.44 0.02) = 12.651% kept QG2 ILE 101 - HG2 PRO 31 6.250% * 9.0038% (0.64 0.17 0.24) = 9.004% kept QG2 ILE 101 - HG3 LYS+ 63 6.250% * 7.9468% (0.64 0.15 0.02) = 7.947% kept QG2 ILE 68 - HG3 LYS+ 63 6.250% * 1.2875% (0.77 0.02 0.02) = 1.288% kept HG12 ILE 19 - HG3 LYS+ 63 6.250% * 1.2847% (0.76 0.02 0.02) = 1.285% kept QG2 VAL 94 - HG2 PRO 31 6.250% * 1.2838% (0.76 0.02 0.02) = 1.284% kept QG2 ILE 68 - HG2 PRO 31 6.250% * 1.2838% (0.76 0.02 0.02) = 1.284% kept QG2 ILE 48 - HG2 PRO 31 6.250% * 1.2816% (0.76 0.02 0.02) = 1.282% kept HG12 ILE 19 - HG2 PRO 31 6.250% * 1.2809% (0.76 0.02 0.22) = 1.281% kept QD1 ILE 19 - HG3 LYS+ 63 6.250% * 1.2761% (0.76 0.02 0.02) = 1.276% kept QD1 ILE 19 - HG2 PRO 31 6.250% * 1.2724% (0.76 0.02 0.22) = 1.272% kept QG1 VAL 62 - HG2 PRO 31 6.250% * 0.8305% (0.49 0.02 0.02) = 0.830% QG2 THR 96 - HG2 PRO 31 6.250% * 0.5756% (0.34 0.02 0.02) = 0.576% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2708 (8.96, 1.03, 24.99 ppm): 6 chemical-shift based assignments, quality = 0.757, support = 2.67, residual support = 15.5: HN ILE 19 - HG3 LYS+ 20 16.667% * 40.7358% (0.88 3.51 30.28) = 40.736% kept HN MET 97 - HG3 LYS+ 20 16.667% * 23.5040% (0.97 1.85 7.18) = 23.504% kept HN PHE 21 - HG3 LYS+ 20 16.667% * 14.7756% (0.27 4.10 8.87) = 14.776% kept HN LEU 17 - HG3 LYS+ 20 16.667% * 9.9717% (0.85 0.89 0.77) = 9.972% kept HN ARG+ 22 - HG3 LYS+ 20 16.667% * 6.3438% (0.44 1.09 0.42) = 6.344% kept HN THR 96 - HG3 LYS+ 20 16.667% * 4.6692% (0.37 0.96 1.55) = 4.669% kept Peak 2709 (8.83, 1.46, 25.03 ppm): 3 chemical-shift based assignments, quality = 0.915, support = 4.37, residual support = 27.2: HN LYS+ 60 - HG3 LYS+ 60 33.333% * 87.1211% (0.93 4.93 31.24) = 87.121% kept HN LYS+ 32 - HG3 LYS+ 60 33.333% * 10.2077% (0.82 0.66 0.02) = 10.208% kept HN ASN 57 - HG3 LYS+ 60 33.333% * 2.6711% (0.72 0.20 0.02) = 2.671% kept Peak 2711 (8.32, 1.46, 24.97 ppm): 4 chemical-shift based assignments, quality = 0.827, support = 0.403, residual support = 0.178: HN ASN 76 - HG3 LYS+ 60 25.000% * 50.2424% (0.95 0.43 0.21) = 50.242% kept HN VAL 99 - HG3 LYS+ 60 25.000% * 39.8071% (0.79 0.41 0.18) = 39.807% kept HN ALA 91 - HG3 LYS+ 60 25.000% * 8.5475% (0.29 0.24 0.02) = 8.547% kept HN GLU- 50 - HG3 LYS+ 60 25.000% * 1.4029% (0.58 0.02 0.02) = 1.403% kept Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 2712 (4.79, 0.90, 24.99 ppm): 9 chemical-shift based assignments, quality = 0.16, support = 0.894, residual support = 0.485: HA LEU 23 - QD1 LEU 17 11.111% * 22.2967% (0.14 1.21 0.19) = 22.297% kept HA ASN 15 - QD1 LEU 17 11.111% * 21.0343% (0.22 0.72 0.29) = 21.034% kept HA LEU 23 - QD1 LEU 90 11.111% * 19.1130% (0.10 1.44 1.33) = 19.113% kept HA ASN 15 - QD1 LEU 90 11.111% * 9.2411% (0.16 0.44 0.14) = 9.241% kept HB THR 39 - QG2 VAL 40 11.111% * 8.8544% (0.07 0.99 1.08) = 8.854% kept HA ASN 15 - QG2 VAL 40 11.111% * 8.1379% (0.35 0.18 0.02) = 8.138% kept HA LEU 23 - QG2 VAL 40 11.111% * 4.5816% (0.22 0.16 0.02) = 4.582% kept HB THR 39 - QD1 LEU 17 11.111% * 3.5711% (0.04 0.63 0.02) = 3.571% kept HB THR 39 - QD1 LEU 90 11.111% * 3.1698% (0.03 0.77 0.47) = 3.170% kept Not enough quality. Peak unassigned. Peak 2713 (4.52, 1.41, 25.08 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2714 (4.50, 1.28, 25.06 ppm): 8 chemical-shift based assignments, quality = 0.145, support = 3.39, residual support = 35.0: O HA LYS+ 32 - HG2 LYS+ 32 12.500% * 91.5506% (0.14 10.0 3.66 38.08) = 91.551% kept HB THR 79 - HG2 LYS+ 81 12.500% * 4.6857% (0.24 1.0 0.62 1.99) = 4.686% kept HA SER 77 - HG2 LYS+ 81 12.500% * 2.0108% (0.19 1.0 0.33 0.02) = 2.011% kept HA LYS+ 32 - HG2 LYS+ 81 12.500% * 0.9288% (0.07 1.0 0.39 0.82) = 0.929% HB THR 79 - HG2 LYS+ 32 12.500% * 0.2960% (0.46 1.0 0.02 0.02) = 0.296% HA SER 77 - HG2 LYS+ 32 12.500% * 0.2375% (0.37 1.0 0.02 0.02) = 0.238% HB THR 46 - HG2 LYS+ 32 12.500% * 0.1919% (0.30 1.0 0.02 0.02) = 0.192% HB THR 46 - HG2 LYS+ 81 12.500% * 0.0988% (0.15 1.0 0.02 2.59) = 0.099% Peak 2715 (4.35, 1.44, 25.03 ppm): 6 chemical-shift based assignments, quality = 0.333, support = 3.63, residual support = 27.9: O HA LYS+ 60 - HG3 LYS+ 60 16.667% * 80.6730% (0.30 10.0 1.00 3.88 31.24) = 80.673% kept HB THR 61 - HG3 LYS+ 60 16.667% * 18.4217% (0.50 1.0 1.00 2.73 14.63) = 18.422% kept T HA ALA 37 - HG3 LYS+ 60 16.667% * 0.6057% (0.22 1.0 10.00 0.02 0.02) = 0.606% HA2 GLY 26 - HG3 LYS+ 60 16.667% * 0.1571% (0.58 1.0 1.00 0.02 0.02) = 0.157% HA TRP 51 - HG3 LYS+ 60 16.667% * 0.0880% (0.33 1.0 1.00 0.02 0.02) = 0.088% HA SER 27 - HG3 LYS+ 60 16.667% * 0.0546% (0.20 1.0 1.00 0.02 0.02) = 0.055% Peak 2716 (4.36, 1.33, 25.04 ppm): 8 chemical-shift based assignments, quality = 0.0692, support = 0.0982, residual support = 0.0486: T HA SER 27 - HG3 LYS+ 81 12.500% * 33.0705% (0.07 10.00 0.02 0.02) = 33.071% kept HA ALA 91 - HG3 LYS+ 81 12.500% * 28.5308% (0.04 1.00 0.29 0.12) = 28.531% kept T HA SER 88 - HG3 LYS+ 81 12.500% * 13.9942% (0.03 10.00 0.02 0.02) = 13.994% kept HA2 GLY 26 - HG3 LYS+ 81 12.500% * 6.1613% (0.14 1.00 0.02 0.02) = 6.161% kept HB THR 61 - HG3 LYS+ 81 12.500% * 5.8024% (0.13 1.00 0.02 0.02) = 5.802% kept HA TRP 51 - HG3 LYS+ 81 12.500% * 4.5644% (0.10 1.00 0.02 0.02) = 4.564% kept HA LYS+ 60 - HG3 LYS+ 81 12.500% * 4.3177% (0.10 1.00 0.02 0.02) = 4.318% kept HA ALA 37 - HG3 LYS+ 81 12.500% * 3.5587% (0.08 1.00 0.02 0.02) = 3.559% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2717 (4.30, 0.91, 25.09 ppm): 22 chemical-shift based assignments, quality = 0.347, support = 1.11, residual support = 6.08: HA ILE 29 - QD1 LEU 17 4.545% * 52.9870% (0.35 1.70 11.28) = 52.987% kept HA ASP- 36 - QD1 LEU 17 4.545% * 23.7868% (0.47 0.55 0.25) = 23.787% kept HA LEU 90 - QD1 LEU 17 4.545% * 11.0843% (0.27 0.46 0.19) = 11.084% kept HA ALA 93 - QD1 LEU 17 4.545% * 8.4304% (0.25 0.37 0.22) = 8.430% kept HA THR 106 - QD1 LEU 17 4.545% * 0.7461% (0.41 0.02 0.02) = 0.746% HA ASP- 36 - QG2 VAL 40 4.545% * 0.2907% (0.16 0.02 0.02) = 0.291% HA VAL 94 - QD1 LEU 17 4.545% * 0.2655% (0.15 0.02 8.81) = 0.265% HA THR 106 - QG2 VAL 40 4.545% * 0.2527% (0.14 0.02 0.02) = 0.253% HA ARG+ 84 - QD1 LEU 17 4.545% * 0.2391% (0.13 0.02 1.35) = 0.239% HA SER 85 - QD1 LEU 17 4.545% * 0.2391% (0.13 0.02 0.54) = 0.239% HD3 PRO 59 - QD1 LEU 17 4.545% * 0.2391% (0.13 0.02 0.02) = 0.239% HA PRO 52 - QD1 LEU 17 4.545% * 0.2391% (0.13 0.02 0.02) = 0.239% HA ILE 29 - QG2 VAL 40 4.545% * 0.2115% (0.12 0.02 0.02) = 0.212% HA VAL 65 - QD1 LEU 17 4.545% * 0.1915% (0.11 0.02 0.02) = 0.191% HA LEU 90 - QG2 VAL 40 4.545% * 0.1649% (0.09 0.02 0.02) = 0.165% HA ALA 93 - QG2 VAL 40 4.545% * 0.1533% (0.08 0.02 0.02) = 0.153% HA VAL 94 - QG2 VAL 40 4.545% * 0.0899% (0.05 0.02 0.02) = 0.090% HA ARG+ 84 - QG2 VAL 40 4.545% * 0.0810% (0.04 0.02 0.12) = 0.081% HA PRO 52 - QG2 VAL 40 4.545% * 0.0810% (0.04 0.02 0.02) = 0.081% HD3 PRO 59 - QG2 VAL 40 4.545% * 0.0810% (0.04 0.02 0.02) = 0.081% HA SER 85 - QG2 VAL 40 4.545% * 0.0810% (0.04 0.02 0.02) = 0.081% HA VAL 65 - QG2 VAL 40 4.545% * 0.0649% (0.04 0.02 0.02) = 0.065% Peak 2718 (4.27, 1.43, 25.01 ppm): 19 chemical-shift based assignments, quality = 0.355, support = 1.2, residual support = 5.51: HD3 PRO 59 - HG3 LYS+ 60 5.263% * 27.1256% (0.42 1.26 10.43) = 27.126% kept HA PRO 59 - HG3 LYS+ 60 5.263% * 23.5043% (0.20 2.31 10.43) = 23.504% kept HA GLU- 75 - HG3 LYS+ 60 5.263% * 21.1606% (0.48 0.87 0.97) = 21.161% kept HA ASN 76 - HG3 LYS+ 60 5.263% * 13.1441% (0.35 0.73 0.21) = 13.144% kept HA ARG+ 84 - HG3 LYS+ 60 5.263% * 7.1470% (0.42 0.33 0.02) = 7.147% kept HA SER 85 - HG3 LYS+ 60 5.263% * 4.2112% (0.42 0.20 0.02) = 4.211% kept HA GLU- 64 - HG3 LYS+ 60 5.263% * 0.4906% (0.48 0.02 0.02) = 0.491% HA VAL 65 - HG3 LYS+ 60 5.263% * 0.4569% (0.45 0.02 0.02) = 0.457% HA PRO 52 - HG3 LYS+ 60 5.263% * 0.4294% (0.42 0.02 0.02) = 0.429% HA VAL 94 - HG3 LYS+ 60 5.263% * 0.4135% (0.40 0.02 0.02) = 0.413% HA GLU- 56 - HG3 LYS+ 60 5.263% * 0.3964% (0.39 0.02 0.02) = 0.396% HA GLU- 107 - HG3 LYS+ 60 5.263% * 0.3783% (0.37 0.02 0.02) = 0.378% HA ALA 11 - HG3 LYS+ 60 5.263% * 0.3202% (0.31 0.02 0.02) = 0.320% HA LEU 90 - HG3 LYS+ 60 5.263% * 0.2802% (0.27 0.02 0.02) = 0.280% HA THR 106 - HG3 LYS+ 60 5.263% * 0.1376% (0.13 0.02 0.02) = 0.138% HB3 SER 49 - HG3 LYS+ 60 5.263% * 0.1102% (0.11 0.02 0.02) = 0.110% HA LYS+ 108 - HG3 LYS+ 60 5.263% * 0.0980% (0.10 0.02 0.02) = 0.098% HA GLU- 54 - HG3 LYS+ 60 5.263% * 0.0980% (0.10 0.02 0.02) = 0.098% HA GLU- 10 - HG3 LYS+ 60 5.263% * 0.0980% (0.10 0.02 0.02) = 0.098% 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 2720 (3.45, 0.89, 25.09 ppm): 18 chemical-shift based assignments, quality = 0.162, support = 2.67, residual support = 32.1: O HA VAL 40 - QG2 VAL 40 5.556% * 94.2783% (0.17 10.0 1.00 2.84 34.09) = 94.278% kept HD3 PRO 31 - QD1 LEU 17 5.556% * 0.9959% (0.12 1.0 1.00 0.30 0.02) = 0.996% T HA VAL 80 - QG2 VAL 40 5.556% * 0.9407% (0.17 1.0 10.00 0.02 0.02) = 0.941% T HA VAL 40 - QD1 LEU 17 5.556% * 0.7927% (0.14 1.0 10.00 0.02 0.02) = 0.793% T HA VAL 80 - QD1 LEU 17 5.556% * 0.7909% (0.14 1.0 10.00 0.02 0.02) = 0.791% T HA VAL 62 - QD1 LEU 17 5.556% * 0.5756% (0.11 1.0 10.00 0.02 0.02) = 0.576% T HA ILE 48 - QG2 VAL 40 5.556% * 0.3538% (0.06 1.0 10.00 0.02 0.19) = 0.354% T HA ILE 48 - QD1 LEU 17 5.556% * 0.2975% (0.05 1.0 10.00 0.02 0.02) = 0.298% HA VAL 40 - QD1 LEU 90 5.556% * 0.1532% (0.28 1.0 1.00 0.02 0.02) = 0.153% HA VAL 80 - QD1 LEU 90 5.556% * 0.1529% (0.28 1.0 1.00 0.02 0.02) = 0.153% HD3 PRO 31 - QD1 LEU 90 5.556% * 0.1280% (0.23 1.0 1.00 0.02 0.02) = 0.128% HA VAL 62 - QD1 LEU 90 5.556% * 0.1113% (0.20 1.0 1.00 0.02 0.02) = 0.111% HA1 GLY 71 - QD1 LEU 90 5.556% * 0.1053% (0.19 1.0 1.00 0.02 0.02) = 0.105% HD3 PRO 31 - QG2 VAL 40 5.556% * 0.0787% (0.14 1.0 1.00 0.02 0.02) = 0.079% HA VAL 62 - QG2 VAL 40 5.556% * 0.0685% (0.13 1.0 1.00 0.02 0.02) = 0.068% HA1 GLY 71 - QG2 VAL 40 5.556% * 0.0648% (0.12 1.0 1.00 0.02 0.02) = 0.065% HA ILE 48 - QD1 LEU 90 5.556% * 0.0575% (0.11 1.0 1.00 0.02 0.02) = 0.058% HA1 GLY 71 - QD1 LEU 17 5.556% * 0.0545% (0.10 1.0 1.00 0.02 0.02) = 0.054% Peak 2721 (2.96, 1.42, 25.07 ppm): 2 chemical-shift based assignments, quality = 0.118, support = 1.3, residual support = 0.93: HA1 GLY 58 - HG3 LYS+ 60 50.000% * 88.7563% (0.12 1.44 1.03) = 88.756% kept HB2 PHE 21 - HG3 LYS+ 60 50.000% * 11.2437% (0.11 0.20 0.11) = 11.244% kept Not enough quality. Peak unassigned. Peak 2722 (2.92, 1.34, 25.00 ppm): 5 chemical-shift based assignments, quality = 0.16, support = 1.81, residual support = 29.2: O HE3 LYS+ 81 - HG3 LYS+ 81 20.000% * 59.4678% (0.13 10.0 1.00 2.47 49.00) = 59.468% kept T HB2 HIS+ 98 - HG3 LYS+ 81 20.000% * 39.0749% (0.20 1.0 10.00 0.86 0.26) = 39.075% kept T HE3 LYS+ 60 - HG3 LYS+ 81 20.000% * 1.3235% (0.29 1.0 10.00 0.02 0.02) = 1.323% kept HA1 GLY 58 - HG3 LYS+ 81 20.000% * 0.0841% (0.18 1.0 1.00 0.02 0.02) = 0.084% HB3 ASN 57 - HG3 LYS+ 81 20.000% * 0.0498% (0.11 1.0 1.00 0.02 0.02) = 0.050% Peak 2723 (2.90, 1.29, 24.93 ppm): 10 chemical-shift based assignments, quality = 0.541, support = 1.6, residual support = 48.6: O HE3 LYS+ 81 - HG2 LYS+ 81 10.000% * 99.0858% (0.55 10.0 1.61 49.00) = 99.086% kept HB3 ASN 57 - HG2 LYS+ 32 10.000% * 0.1348% (0.60 1.0 0.02 0.02) = 0.135% HE3 LYS+ 81 - HG2 LYS+ 32 10.000% * 0.1348% (0.60 1.0 0.02 0.82) = 0.135% HB3 ASN 57 - HG2 LYS+ 81 10.000% * 0.1229% (0.55 1.0 0.02 0.02) = 0.123% HB2 HIS+ 98 - HG2 LYS+ 32 10.000% * 0.1212% (0.54 1.0 0.02 0.12) = 0.121% HB2 HIS+ 98 - HG2 LYS+ 81 10.000% * 0.1105% (0.49 1.0 0.02 0.26) = 0.111% HA1 GLY 58 - HG2 LYS+ 32 10.000% * 0.0911% (0.40 1.0 0.02 0.02) = 0.091% HA1 GLY 58 - HG2 LYS+ 81 10.000% * 0.0830% (0.37 1.0 0.02 0.02) = 0.083% HE3 LYS+ 60 - HG2 LYS+ 32 10.000% * 0.0606% (0.27 1.0 0.02 0.02) = 0.061% HE3 LYS+ 60 - HG2 LYS+ 81 10.000% * 0.0552% (0.25 1.0 0.02 0.02) = 0.055% Peak 2727 (2.06, 3.43, 66.46 ppm): 18 chemical-shift based assignments, quality = 0.826, support = 1.86, residual support = 21.1: O T HB VAL 62 - HA VAL 62 5.556% * 79.6615% (0.85 10.0 10.00 2.21 26.40) = 79.662% kept T HB3 GLU- 75 - HA VAL 62 5.556% * 19.1496% (0.78 1.0 10.00 0.52 0.12) = 19.150% kept HB2 GLU- 45 - HA VAL 62 5.556% * 0.5580% (0.63 1.0 1.00 0.19 1.13) = 0.558% T HB VAL 62 - HA VAL 40 5.556% * 0.1985% (0.21 1.0 10.00 0.02 0.02) = 0.198% T HB3 GLU- 75 - HA VAL 40 5.556% * 0.1823% (0.19 1.0 10.00 0.02 0.02) = 0.182% HB ILE 101 - HA VAL 62 5.556% * 0.0721% (0.77 1.0 1.00 0.02 0.02) = 0.072% HG3 GLU- 64 - HA VAL 62 5.556% * 0.0381% (0.41 1.0 1.00 0.02 3.30) = 0.038% HG3 PRO 86 - HA VAL 62 5.556% * 0.0355% (0.38 1.0 1.00 0.02 0.02) = 0.035% HB ILE 101 - HA VAL 40 5.556% * 0.0180% (0.19 1.0 1.00 0.02 0.69) = 0.018% HB3 PRO 35 - HA VAL 62 5.556% * 0.0166% (0.18 1.0 1.00 0.02 0.02) = 0.017% HB2 GLU- 45 - HA VAL 40 5.556% * 0.0148% (0.16 1.0 1.00 0.02 0.02) = 0.015% HA1 GLY 58 - HA VAL 62 5.556% * 0.0137% (0.15 1.0 1.00 0.02 0.02) = 0.014% HG2 GLU- 64 - HA VAL 62 5.556% * 0.0124% (0.13 1.0 1.00 0.02 3.30) = 0.012% HG3 GLU- 64 - HA VAL 40 5.556% * 0.0095% (0.10 1.0 1.00 0.02 0.02) = 0.009% HG3 PRO 86 - HA VAL 40 5.556% * 0.0088% (0.09 1.0 1.00 0.02 0.02) = 0.009% HB3 PRO 35 - HA VAL 40 5.556% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA1 GLY 58 - HA VAL 40 5.556% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG2 GLU- 64 - HA VAL 40 5.556% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 2739 (1.67, 1.43, 24.98 ppm): 8 chemical-shift based assignments, quality = 0.521, support = 0.582, residual support = 0.193: T HG3 ARG+ 84 - HG3 LYS+ 60 12.500% * 69.4199% (0.58 10.00 0.51 0.02) = 69.420% kept HB ILE 100 - HG3 LYS+ 60 12.500% * 14.2035% (0.47 1.00 1.29 1.08) = 14.204% kept T HB3 ARG+ 22 - HG3 LYS+ 60 12.500% * 7.5986% (0.15 10.00 0.22 0.31) = 7.599% kept HB3 LYS+ 66 - HG3 LYS+ 60 12.500% * 4.3900% (0.45 1.00 0.42 0.02) = 4.390% kept HB3 MET 97 - HG3 LYS+ 60 12.500% * 3.6829% (0.53 1.00 0.30 0.02) = 3.683% kept HB3 LYS+ 81 - HG3 LYS+ 60 12.500% * 0.2749% (0.59 1.00 0.02 0.02) = 0.275% HD3 LYS+ 55 - HG3 LYS+ 60 12.500% * 0.2301% (0.49 1.00 0.02 0.02) = 0.230% HG13 ILE 19 - HG3 LYS+ 60 12.500% * 0.2001% (0.43 1.00 0.02 0.02) = 0.200% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 2763 (1.43, 1.43, 24.98 ppm): 1 diagonal assignment: HG3 LYS+ 60 - HG3 LYS+ 60 (0.11) kept Peak 2776 (1.15, 1.46, 25.00 ppm): 6 chemical-shift based assignments, quality = 0.841, support = 2.24, residual support = 9.88: T HG3 PRO 59 - HG3 LYS+ 60 16.667% * 94.6801% (0.86 10.00 2.34 10.43) = 94.680% kept QB ALA 33 - HG3 LYS+ 60 16.667% * 2.7324% (0.88 1.00 0.56 0.31) = 2.732% kept HB2 LEU 43 - HG3 LYS+ 60 16.667% * 1.1621% (0.64 1.00 0.33 0.13) = 1.162% kept QG2 THR 106 - HG3 LYS+ 60 16.667% * 0.7232% (0.52 1.00 0.25 0.02) = 0.723% HG3 LYS+ 32 - HG3 LYS+ 60 16.667% * 0.4108% (0.37 1.00 0.20 0.02) = 0.411% HB2 LEU 74 - HG3 LYS+ 60 16.667% * 0.2914% (0.25 1.00 0.21 0.29) = 0.291% 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): 1 diagonal assignment: QD1 LEU 90 - QD1 LEU 90 (0.94) kept Peak 2813 (0.42, 3.44, 66.50 ppm): 4 chemical-shift based assignments, quality = 0.408, support = 2.36, residual support = 3.92: T QD1 ILE 48 - HA VAL 62 25.000% * 90.8856% (0.42 10.00 2.55 4.15) = 90.886% kept T QD1 ILE 48 - HA VAL 40 25.000% * 5.2211% (0.15 10.00 0.33 0.19) = 5.221% kept HG12 ILE 48 - HA VAL 62 25.000% * 3.2826% (0.42 1.00 0.72 4.15) = 3.283% kept HG12 ILE 48 - HA VAL 40 25.000% * 0.6107% (0.15 1.00 0.38 0.19) = 0.611% Peak 2824 (8.52, 0.93, 24.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2826 (4.59, 1.48, 24.80 ppm): 8 chemical-shift based assignments, quality = 0.216, support = 2.99, residual support = 34.6: O HA LYS+ 72 - HG3 LYS+ 72 12.500% * 99.6643% (0.22 10.0 3.00 34.74) = 99.664% kept HA LYS+ 72 - HG3 LYS+ 60 12.500% * 0.0773% (0.17 1.0 0.02 0.02) = 0.077% HA ASP- 25 - HG3 LYS+ 72 12.500% * 0.0691% (0.15 1.0 0.02 0.02) = 0.069% HA LYS+ 78 - HG3 LYS+ 72 12.500% * 0.0610% (0.13 1.0 0.02 0.02) = 0.061% HA ASP- 25 - HG3 LYS+ 60 12.500% * 0.0535% (0.12 1.0 0.02 0.02) = 0.054% HA LYS+ 78 - HG3 LYS+ 60 12.500% * 0.0473% (0.10 1.0 0.02 0.02) = 0.047% HA LYS+ 55 - HG3 LYS+ 72 12.500% * 0.0155% (0.03 1.0 0.02 0.02) = 0.016% HA LYS+ 55 - HG3 LYS+ 60 12.500% * 0.0120% (0.03 1.0 0.02 0.02) = 0.012% Peak 2827 (4.54, 0.93, 24.69 ppm): 10 chemical-shift based assignments, quality = 0.203, support = 3.27, residual support = 77.1: HA LEU 17 - QD1 LEU 17 10.000% * 86.0177% (0.20 3.75 89.64) = 86.018% kept HA LEU 17 - QG2 VAL 40 10.000% * 11.1746% (0.26 0.38 0.02) = 11.175% kept HB THR 46 - QD1 LEU 17 10.000% * 0.7444% (0.05 0.12 0.02) = 0.744% HA ALA 103 - QG2 VAL 40 10.000% * 0.5603% (0.25 0.02 0.02) = 0.560% HA ALA 103 - QD1 LEU 17 10.000% * 0.4349% (0.19 0.02 0.02) = 0.435% HA LYS+ 55 - QG2 VAL 40 10.000% * 0.4042% (0.18 0.02 0.02) = 0.404% HA LYS+ 55 - QD1 LEU 17 10.000% * 0.3137% (0.14 0.02 0.02) = 0.314% HB THR 46 - QG2 VAL 40 10.000% * 0.1558% (0.07 0.02 0.02) = 0.156% HA LYS+ 78 - QG2 VAL 40 10.000% * 0.1094% (0.05 0.02 0.02) = 0.109% HA LYS+ 78 - QD1 LEU 17 10.000% * 0.0849% (0.04 0.02 0.02) = 0.085% Peak 2828 (4.48, 1.13, 24.84 ppm): 6 chemical-shift based assignments, quality = 0.94, support = 3.2, residual support = 37.6: O HA LYS+ 32 - HG3 LYS+ 32 16.667% * 98.5673% (0.94 10.0 3.24 38.08) = 98.567% kept HA GLN 102 - HG3 LYS+ 32 16.667% * 1.2245% (0.83 1.0 0.28 1.55) = 1.225% kept HA ILE 100 - HG3 LYS+ 32 16.667% * 0.0863% (0.83 1.0 0.02 0.02) = 0.086% HA SER 77 - HG3 LYS+ 32 16.667% * 0.0603% (0.58 1.0 0.02 0.02) = 0.060% HA GLU- 50 - HG3 LYS+ 32 16.667% * 0.0339% (0.32 1.0 0.02 0.02) = 0.034% HB THR 79 - HG3 LYS+ 32 16.667% * 0.0277% (0.26 1.0 0.02 0.02) = 0.028% Peak 2829 (3.13, 1.50, 24.80 ppm): 6 chemical-shift based assignments, quality = 0.4, support = 1.49, residual support = 34.3: O T HE3 LYS+ 72 - HG3 LYS+ 72 16.667% * 98.6342% (0.41 10.0 10.00 1.52 34.74) = 98.634% kept T HE3 LYS+ 108 - HG3 LYS+ 72 16.667% * 0.9754% (0.40 1.0 10.00 0.02 0.02) = 0.975% T HA1 GLY 58 - HG3 LYS+ 72 16.667% * 0.2633% (0.11 1.0 10.00 0.02 0.02) = 0.263% HB3 HIS+ 98 - HG3 LYS+ 72 16.667% * 0.0484% (0.20 1.0 1.00 0.02 0.02) = 0.048% HB3 ASP- 25 - HG3 LYS+ 72 16.667% * 0.0446% (0.18 1.0 1.00 0.02 0.02) = 0.045% HD2 ARG+ 53 - HG3 LYS+ 72 16.667% * 0.0339% (0.14 1.0 1.00 0.02 0.02) = 0.034% Peak 2830 (2.81, 1.12, 24.83 ppm): 4 chemical-shift based assignments, quality = 0.869, support = 2.61, residual support = 38.0: O HE3 LYS+ 32 - HG3 LYS+ 32 25.000% * 99.7113% (0.87 10.0 2.61 38.08) = 99.711% kept HB3 ASN 89 - HG3 LYS+ 32 25.000% * 0.1017% (0.89 1.0 0.02 0.02) = 0.102% HA2 GLY 58 - HG3 LYS+ 32 25.000% * 0.0973% (0.85 1.0 0.02 0.02) = 0.097% HA1 GLY 58 - HG3 LYS+ 32 25.000% * 0.0897% (0.78 1.0 0.02 0.02) = 0.090% Peak 2834 (1.57, 1.28, 24.86 ppm): 22 chemical-shift based assignments, quality = 0.513, support = 2.53, residual support = 42.5: O HD3 LYS+ 81 - HG2 LYS+ 81 4.545% * 44.0418% (0.65 10.0 1.00 1.61 49.00) = 44.042% kept O T HB3 LYS+ 32 - HG2 LYS+ 32 4.545% * 41.9674% (0.50 10.0 10.00 3.28 38.08) = 41.967% kept O HD3 LYS+ 32 - HG2 LYS+ 32 4.545% * 12.8385% (0.15 10.0 1.00 3.50 38.08) = 12.838% kept T HB3 LYS+ 32 - HG2 LYS+ 81 4.545% * 0.4232% (0.50 1.0 10.00 0.02 0.82) = 0.423% HB ILE 19 - HG2 LYS+ 81 4.545% * 0.0631% (0.75 1.0 1.00 0.02 0.02) = 0.063% HB ILE 19 - HG2 LYS+ 32 4.545% * 0.0626% (0.74 1.0 1.00 0.02 1.57) = 0.063% HG LEU 17 - HG2 LYS+ 81 4.545% * 0.0619% (0.73 1.0 1.00 0.02 0.02) = 0.062% HG LEU 17 - HG2 LYS+ 32 4.545% * 0.0614% (0.73 1.0 1.00 0.02 0.21) = 0.061% HD3 LYS+ 60 - HG2 LYS+ 81 4.545% * 0.0587% (0.70 1.0 1.00 0.02 0.02) = 0.059% HD3 LYS+ 60 - HG2 LYS+ 32 4.545% * 0.0582% (0.69 1.0 1.00 0.02 0.02) = 0.058% HD3 LYS+ 81 - HG2 LYS+ 32 4.545% * 0.0542% (0.64 1.0 1.00 0.02 0.82) = 0.054% HG12 ILE 29 - HG2 LYS+ 81 4.545% * 0.0370% (0.44 1.0 1.00 0.02 0.02) = 0.037% QB ALA 42 - HG2 LYS+ 81 4.545% * 0.0370% (0.44 1.0 1.00 0.02 0.02) = 0.037% QB ALA 42 - HG2 LYS+ 32 4.545% * 0.0367% (0.44 1.0 1.00 0.02 0.02) = 0.037% HG12 ILE 29 - HG2 LYS+ 32 4.545% * 0.0367% (0.44 1.0 1.00 0.02 0.02) = 0.037% HB3 LEU 90 - HG2 LYS+ 81 4.545% * 0.0318% (0.38 1.0 1.00 0.02 0.02) = 0.032% HB3 LEU 90 - HG2 LYS+ 32 4.545% * 0.0316% (0.37 1.0 1.00 0.02 0.45) = 0.032% HG13 ILE 29 - HG2 LYS+ 81 4.545% * 0.0246% (0.29 1.0 1.00 0.02 0.02) = 0.025% HG13 ILE 29 - HG2 LYS+ 32 4.545% * 0.0243% (0.29 1.0 1.00 0.02 0.02) = 0.024% QG2 THR 24 - HG2 LYS+ 81 4.545% * 0.0182% (0.22 1.0 1.00 0.02 0.02) = 0.018% QG2 THR 24 - HG2 LYS+ 32 4.545% * 0.0180% (0.21 1.0 1.00 0.02 0.02) = 0.018% HD3 LYS+ 32 - HG2 LYS+ 81 4.545% * 0.0129% (0.15 1.0 1.00 0.02 0.82) = 0.013% Peak 2839 (1.27, 1.13, 24.80 ppm): 6 chemical-shift based assignments, quality = 0.968, support = 4.05, residual support = 36.3: O HG2 LYS+ 32 - HG3 LYS+ 32 16.667% * 95.2824% (0.97 10.0 4.23 38.08) = 95.282% kept HG2 LYS+ 81 - HG3 LYS+ 32 16.667% * 2.4324% (0.89 1.0 0.56 0.82) = 2.432% kept HG13 ILE 101 - HG3 LYS+ 32 16.667% * 2.1353% (0.83 1.0 0.53 0.46) = 2.135% kept HB3 LEU 74 - HG3 LYS+ 32 16.667% * 0.0963% (0.98 1.0 0.02 1.05) = 0.096% HB2 LYS+ 55 - HG3 LYS+ 32 16.667% * 0.0365% (0.37 1.0 0.02 1.67) = 0.036% QB ALA 103 - HG3 LYS+ 32 16.667% * 0.0170% (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 = 0.196, support = 2.57, residual support = 25.7: HN VAL 40 - QG2 VAL 40 25.000% * 74.9142% (0.16 3.32 34.09) = 74.914% kept HN ILE 101 - QG2 VAL 40 25.000% * 18.6530% (0.32 0.41 0.69) = 18.653% kept HN GLU- 56 - QG2 VAL 40 25.000% * 6.2633% (0.33 0.13 0.02) = 6.263% kept HN VAL 62 - QG2 VAL 40 25.000% * 0.1695% (0.06 0.02 0.02) = 0.169% Peak 2844 (6.75, 0.90, 24.46 ppm): 2 chemical-shift based assignments, quality = 0.365, support = 0.629, residual support = 1.51: QE TYR 83 - QG2 VAL 40 50.000% * 54.1150% (0.32 0.75 2.36) = 54.115% kept HZ3 TRP 51 - QG2 VAL 40 50.000% * 45.8850% (0.42 0.49 0.51) = 45.885% kept Peak 2845 (3.45, 0.89, 24.48 ppm): 6 chemical-shift based assignments, quality = 0.449, support = 2.79, residual support = 33.5: O HA VAL 40 - QG2 VAL 40 16.667% * 98.2424% (0.46 10.0 1.00 2.84 34.09) = 98.242% kept T HA VAL 80 - QG2 VAL 40 16.667% * 0.9587% (0.45 1.0 10.00 0.02 0.02) = 0.959% T HA ILE 48 - QG2 VAL 40 16.667% * 0.5880% (0.27 1.0 10.00 0.02 0.19) = 0.588% HA VAL 62 - QG2 VAL 40 16.667% * 0.0931% (0.43 1.0 1.00 0.02 0.02) = 0.093% HD3 PRO 31 - QG2 VAL 40 16.667% * 0.0672% (0.31 1.0 1.00 0.02 0.02) = 0.067% HA1 GLY 71 - QG2 VAL 40 16.667% * 0.0506% (0.24 1.0 1.00 0.02 0.02) = 0.051% Peak 2846 (2.49, 0.90, 24.47 ppm): 6 chemical-shift based assignments, quality = 0.443, support = 3.39, residual support = 34.0: O HB VAL 40 - QG2 VAL 40 16.667% * 99.7172% (0.44 10.0 3.40 34.09) = 99.717% kept HG3 PRO 35 - QG2 VAL 40 16.667% * 0.0977% (0.44 1.0 0.02 0.02) = 0.098% HA1 GLY 58 - QG2 VAL 40 16.667% * 0.0879% (0.39 1.0 0.02 0.02) = 0.088% HB3 PRO 35 - QG2 VAL 40 16.667% * 0.0410% (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 0.02) = 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): 8 chemical-shift based assignments, quality = 0.298, support = 5.12, residual support = 128.5: O HG13 ILE 48 - HA ILE 48 12.500% * 97.6329% (0.29 10.0 5.24 131.63) = 97.633% kept HB3 LYS+ 44 - HA ILE 48 12.500% * 1.8077% (0.58 1.0 0.19 0.02) = 1.808% kept QB ALA 70 - HA ILE 48 12.500% * 0.1897% (0.57 1.0 0.02 0.02) = 0.190% HB3 LEU 67 - HA ILE 48 12.500% * 0.1606% (0.48 1.0 0.02 0.79) = 0.161% HG2 PRO 59 - HA ILE 48 12.500% * 0.0619% (0.19 1.0 0.02 0.02) = 0.062% HG3 LYS+ 60 - HA ILE 48 12.500% * 0.0619% (0.19 1.0 0.02 0.89) = 0.062% HD3 LYS+ 108 - HA ILE 48 12.500% * 0.0500% (0.15 1.0 0.02 0.02) = 0.050% HB2 LYS+ 72 - HA ILE 48 12.500% * 0.0351% (0.11 1.0 0.02 0.14) = 0.035% Peak 2848 (1.42, 0.87, 24.40 ppm): 10 chemical-shift based assignments, quality = 0.0809, support = 0.789, residual support = 0.499: QG2 THR 38 - QG2 VAL 40 10.000% * 68.9166% (0.09 1.04 0.71) = 68.917% kept QB ALA 37 - QG2 VAL 40 10.000% * 19.8621% (0.08 0.34 0.02) = 19.862% kept HG LEU 67 - QG2 VAL 40 10.000% * 4.5522% (0.06 0.10 0.02) = 4.552% kept HD3 LYS+ 44 - QG2 VAL 40 10.000% * 1.4366% (0.09 0.02 0.38) = 1.437% kept QB ALA 91 - QG2 VAL 40 10.000% * 1.3895% (0.09 0.02 0.02) = 1.390% kept HG3 LYS+ 55 - QG2 VAL 40 10.000% * 1.1529% (0.08 0.02 0.02) = 1.153% kept HG13 ILE 100 - QG2 VAL 40 10.000% * 0.8152% (0.05 0.02 0.02) = 0.815% QB ALA 93 - QG2 VAL 40 10.000% * 0.8152% (0.05 0.02 0.02) = 0.815% HG LEU 90 - QG2 VAL 40 10.000% * 0.7008% (0.05 0.02 0.02) = 0.701% HD3 LYS+ 20 - QG2 VAL 40 10.000% * 0.3590% (0.02 0.02 0.02) = 0.359% Not enough quality. Peak unassigned. Peak 2851 (0.72, 3.43, 65.93 ppm): 7 chemical-shift based assignments, quality = 0.266, support = 6.18, residual support = 119.2: O QG2 ILE 48 - HA ILE 48 14.286% * 90.4961% (0.27 10.0 6.76 131.63) = 90.496% kept QG2 THR 96 - HA ILE 48 14.286% * 4.4737% (0.21 1.0 1.27 1.32) = 4.474% kept QG2 ILE 101 - HA ILE 48 14.286% * 1.7374% (0.27 1.0 0.39 0.20) = 1.737% kept HG LEU 74 - HA ILE 48 14.286% * 1.7119% (0.35 1.0 0.30 0.02) = 1.712% kept QG1 VAL 40 - HA ILE 48 14.286% * 0.8055% (0.29 1.0 0.17 0.19) = 0.806% QD1 ILE 68 - HA ILE 48 14.286% * 0.7232% (0.28 1.0 0.15 0.02) = 0.723% HG3 LYS+ 66 - HA ILE 48 14.286% * 0.0523% (0.16 1.0 0.02 0.11) = 0.052% Peak 2852 (9.38, 4.09, 65.46 ppm): 1 chemical-shift based assignment, quality = 0.477, support = 3.67, residual support = 26.7: O HN THR 24 - HA THR 24 100.000% *100.0000% (0.48 10.0 3.67 26.72) = 100.000% kept Peak 2853 (4.98, 3.54, 65.41 ppm): 6 chemical-shift based assignments, quality = 0.731, support = 2.4, residual support = 14.7: O HA SER 69 - HB2 SER 69 16.667% * 90.9958% (0.75 10.0 2.48 15.74) = 90.996% kept HA ILE 68 - HB2 SER 69 16.667% * 4.6040% (0.36 1.0 2.08 7.90) = 4.604% kept HA MET 97 - HB2 SER 69 16.667% * 4.2809% (0.71 1.0 1.00 0.02) = 4.281% kept HA PRO 31 - HB2 SER 69 16.667% * 0.0519% (0.43 1.0 0.02 0.02) = 0.052% HA ALA 33 - HB2 SER 69 16.667% * 0.0480% (0.40 1.0 0.02 0.02) = 0.048% HA HIS+ 98 - HB2 SER 69 16.667% * 0.0195% (0.16 1.0 0.02 0.02) = 0.020% Peak 2854 (4.44, 4.09, 65.50 ppm): 5 chemical-shift based assignments, quality = 0.921, support = 2.0, residual support = 26.7: O HB THR 24 - HA THR 24 20.000% * 99.8564% (0.92 10.0 2.00 26.72) = 99.856% kept HA LYS+ 66 - HA THR 24 20.000% * 0.0504% (0.47 1.0 0.02 0.02) = 0.050% HA GLU- 50 - HA THR 24 20.000% * 0.0464% (0.43 1.0 0.02 0.02) = 0.046% HA HIS+ 14 - HA THR 24 20.000% * 0.0288% (0.27 1.0 0.02 0.02) = 0.029% HA PRO 86 - HA THR 24 20.000% * 0.0181% (0.17 1.0 0.02 0.02) = 0.018% Peak 2855 (4.25, 4.10, 65.55 ppm): 20 chemical-shift based assignments, quality = 0.734, support = 0.343, residual support = 0.227: HA ASN 76 - HA THR 24 5.000% * 43.1927% (0.85 0.54 0.23) = 43.193% kept HA GLU- 75 - HA THR 24 5.000% * 19.2083% (0.58 0.35 0.63) = 19.208% kept HA GLU- 10 - HA THR 24 5.000% * 14.1184% (0.72 0.21 0.02) = 14.118% kept HA ALA 11 - HA THR 24 5.000% * 9.1400% (0.88 0.11 0.02) = 9.140% kept HA PRO 59 - HA THR 24 5.000% * 1.6557% (0.88 0.02 0.02) = 1.656% kept HA GLU- 107 - HA THR 24 5.000% * 1.5593% (0.83 0.02 0.02) = 1.559% kept HA GLU- 56 - HA THR 24 5.000% * 1.5149% (0.81 0.02 0.02) = 1.515% kept HA GLU- 54 - HA THR 24 5.000% * 1.3525% (0.72 0.02 0.02) = 1.353% kept HA LYS+ 108 - HA THR 24 5.000% * 1.3525% (0.72 0.02 0.02) = 1.353% kept HA GLU- 64 - HA THR 24 5.000% * 1.0245% (0.55 0.02 0.02) = 1.025% kept HA ALA 42 - HA THR 24 5.000% * 1.0245% (0.55 0.02 0.02) = 1.025% kept HA SER 49 - HA THR 24 5.000% * 0.8887% (0.47 0.02 0.02) = 0.889% HA GLU- 18 - HA THR 24 5.000% * 0.8222% (0.44 0.02 0.02) = 0.822% HB3 SER 49 - HA THR 24 5.000% * 0.5637% (0.30 0.02 0.02) = 0.564% HA VAL 65 - HA THR 24 5.000% * 0.5213% (0.28 0.02 0.02) = 0.521% HD3 PRO 59 - HA THR 24 5.000% * 0.4212% (0.22 0.02 0.02) = 0.421% HA PRO 52 - HA THR 24 5.000% * 0.4212% (0.22 0.02 0.02) = 0.421% HA ARG+ 84 - HA THR 24 5.000% * 0.4212% (0.22 0.02 0.02) = 0.421% HA SER 85 - HA THR 24 5.000% * 0.4212% (0.22 0.02 0.02) = 0.421% HA VAL 94 - HA THR 24 5.000% * 0.3761% (0.20 0.02 0.02) = 0.376% Not enough total support, support cutoff is 0.60 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 = 0.65, support = 1.9, residual support = 15.4: O HB2 SER 69 - HB3 SER 69 33.333% * 97.7895% (0.65 10.0 1.93 15.74) = 97.789% kept HA LYS+ 44 - HB3 SER 69 33.333% * 2.0784% (0.72 1.0 0.37 0.02) = 2.078% kept HA1 GLY 26 - HB3 SER 69 33.333% * 0.1321% (0.85 1.0 0.02 0.02) = 0.132% 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 = 0.882, support = 2.81, residual support = 25.1: O T QG2 THR 24 - HA THR 24 11.111% * 93.8342% (0.90 10.0 10.00 2.95 26.72) = 93.834% kept HG13 ILE 29 - HA THR 24 11.111% * 3.1531% (0.83 1.0 1.00 0.72 0.54) = 3.153% kept HG12 ILE 29 - HA THR 24 11.111% * 2.3785% (0.67 1.0 1.00 0.67 0.54) = 2.379% kept HB3 LEU 90 - HA THR 24 11.111% * 0.4264% (0.74 1.0 1.00 0.11 0.02) = 0.426% QB ALA 42 - HA THR 24 11.111% * 0.0706% (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) = 0.036% 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% * 0.0270% (0.26 1.0 1.00 0.02 0.02) = 0.027% Peak 2865 (9.32, 0.29, 23.82 ppm): 1 chemical-shift based assignment, quality = 0.287, support = 3.08, residual support = 14.9: HN ILE 29 - QD2 LEU 23 100.000% *100.0000% (0.29 3.08 14.94) = 100.000% kept Peak 2866 (4.79, 0.29, 23.83 ppm): 3 chemical-shift based assignments, quality = 0.716, support = 5.07, residual support = 110.2: HA LEU 23 - QD2 LEU 23 33.333% * 92.2556% (0.73 5.46 119.42) = 92.256% kept HA ASN 15 - QD2 LEU 23 33.333% * 7.0610% (0.62 0.49 0.02) = 7.061% kept HB THR 39 - QD2 LEU 23 33.333% * 0.6834% (0.31 0.09 0.02) = 0.683% Peak 2867 (4.78, 0.84, 23.68 ppm): 2 chemical-shift based assignments, quality = 0.24, support = 0.467, residual support = 1.21: HA LEU 23 - QD2 LEU 90 50.000% * 89.8512% (0.20 0.52 1.33) = 89.851% kept HA ASN 15 - QD2 LEU 90 50.000% * 10.1488% (0.59 0.02 0.14) = 10.149% kept 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): 10 chemical-shift based assignments, quality = 0.793, support = 3.75, residual support = 70.9: O T HB2 LEU 23 - QD2 LEU 23 10.000% * 53.7581% (0.86 10.0 10.00 5.30 119.42) = 53.758% kept T HB ILE 29 - QD2 LEU 23 10.000% * 44.5051% (0.71 1.0 10.00 2.01 14.94) = 44.505% kept HB3 GLN 102 - QD2 LEU 23 10.000% * 1.5135% (0.86 1.0 1.00 0.56 0.92) = 1.513% kept HD3 LYS+ 63 - QD2 LEU 23 10.000% * 0.0581% (0.93 1.0 1.00 0.02 0.48) = 0.058% HB3 GLU- 56 - QD2 LEU 23 10.000% * 0.0551% (0.88 1.0 1.00 0.02 0.02) = 0.055% HB3 ARG+ 53 - QD2 LEU 23 10.000% * 0.0400% (0.64 1.0 1.00 0.02 0.19) = 0.040% HB2 GLU- 10 - QD2 LEU 23 10.000% * 0.0239% (0.38 1.0 1.00 0.02 0.02) = 0.024% HG2 GLU- 18 - QD2 LEU 23 10.000% * 0.0180% (0.29 1.0 1.00 0.02 5.70) = 0.018% HB3 GLN 16 - QD2 LEU 23 10.000% * 0.0180% (0.29 1.0 1.00 0.02 0.92) = 0.018% HB2 GLU- 75 - QD2 LEU 23 10.000% * 0.0102% (0.16 1.0 1.00 0.02 1.32) = 0.010% Peak 2874 (1.63, 0.29, 23.82 ppm): 8 chemical-shift based assignments, quality = 0.809, support = 3.77, residual support = 89.8: O T HG LEU 23 - QD2 LEU 23 12.500% * 74.6276% (0.84 10.0 10.00 4.70 119.42) = 74.628% kept T HG12 ILE 101 - QD2 LEU 23 12.500% * 18.4238% (0.78 1.0 10.00 0.53 1.57) = 18.424% kept HB3 ARG+ 22 - QD2 LEU 23 12.500% * 6.7441% (0.60 1.0 1.00 2.51 5.13) = 6.744% kept HB ILE 68 - QD2 LEU 23 12.500% * 0.0666% (0.75 1.0 1.00 0.02 0.02) = 0.067% HG LEU 43 - QD2 LEU 23 12.500% * 0.0666% (0.75 1.0 1.00 0.02 0.02) = 0.067% HG3 LYS+ 78 - QD2 LEU 23 12.500% * 0.0438% (0.49 1.0 1.00 0.02 0.02) = 0.044% HB3 LYS+ 66 - QD2 LEU 23 12.500% * 0.0146% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB ILE 100 - QD2 LEU 23 12.500% * 0.0128% (0.14 1.0 1.00 0.02 2.06) = 0.013% 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): 1 diagonal assignment: QD2 LEU 23 - QD2 LEU 23 (0.94) kept Peak 2939 (8.60, 4.00, 64.90 ppm): 4 chemical-shift based assignments, quality = 0.672, support = 3.02, residual support = 10.9: O HN THR 39 - HA THR 38 25.000% * 76.9407% (0.63 10.0 3.32 14.00) = 76.941% kept HN LYS+ 20 - HA THR 38 25.000% * 14.1291% (0.97 1.0 2.40 0.29) = 14.129% kept HN VAL 80 - HA THR 38 25.000% * 5.6344% (0.59 1.0 1.56 1.82) = 5.634% kept HN VAL 73 - HA THR 38 25.000% * 3.2959% (0.44 1.0 1.24 0.26) = 3.296% kept Peak 2940 (7.87, 4.01, 64.81 ppm): 4 chemical-shift based assignments, quality = 0.886, support = 3.94, residual support = 19.7: O HN THR 38 - HA THR 38 25.000% * 98.0028% (0.89 10.0 4.01 20.13) = 98.003% kept HN LEU 90 - HA THR 38 25.000% * 1.8425% (0.67 1.0 0.50 0.02) = 1.842% kept HD22 ASN 89 - HA THR 38 25.000% * 0.1013% (0.92 1.0 0.02 0.02) = 0.101% HN LYS+ 44 - HA THR 38 25.000% * 0.0534% (0.49 1.0 0.02 0.02) = 0.053% Peak 2941 (4.30, 0.85, 23.55 ppm): 10 chemical-shift based assignments, quality = 0.11, support = 1.7, residual support = 8.63: HA LEU 90 - QD2 LEU 90 10.000% * 90.3612% (0.10 1.88 9.55) = 90.361% kept HA ASP- 36 - QD2 LEU 90 10.000% * 2.2105% (0.24 0.02 0.02) = 2.210% kept HA ILE 29 - QD2 LEU 90 10.000% * 2.0270% (0.22 0.02 0.02) = 2.027% kept HA THR 106 - QD2 LEU 90 10.000% * 1.6968% (0.18 0.02 0.02) = 1.697% kept HA ALA 93 - QD2 LEU 90 10.000% * 1.6051% (0.17 0.02 0.02) = 1.605% kept HA VAL 94 - QD2 LEU 90 10.000% * 0.4624% (0.05 0.02 0.02) = 0.462% HD3 PRO 59 - QD2 LEU 90 10.000% * 0.4092% (0.04 0.02 0.02) = 0.409% HA PRO 52 - QD2 LEU 90 10.000% * 0.4092% (0.04 0.02 0.02) = 0.409% HA SER 85 - QD2 LEU 90 10.000% * 0.4092% (0.04 0.02 0.02) = 0.409% HA ARG+ 84 - QD2 LEU 90 10.000% * 0.4092% (0.04 0.02 0.02) = 0.409% 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): 11 chemical-shift based assignments, quality = 0.686, support = 3.17, residual support = 17.5: O QG2 THR 38 - HA THR 38 9.091% * 83.9043% (0.65 10.0 3.44 20.13) = 83.904% kept QB ALA 37 - HA THR 38 9.091% * 12.8066% (0.93 1.0 2.14 4.67) = 12.807% kept QB ALA 91 - HA THR 38 9.091% * 2.7001% (0.73 1.0 0.58 0.48) = 2.700% kept HG LEU 67 - HA THR 38 9.091% * 0.1060% (0.82 1.0 0.02 0.12) = 0.106% HD3 LYS+ 44 - HA THR 38 9.091% * 0.1060% (0.82 1.0 0.02 0.02) = 0.106% QB ALA 93 - HA THR 38 9.091% * 0.1020% (0.79 1.0 0.02 0.02) = 0.102% HG13 ILE 100 - HA THR 38 9.091% * 0.1020% (0.79 1.0 0.02 0.02) = 0.102% HG3 LYS+ 55 - HA THR 38 9.091% * 0.0643% (0.50 1.0 0.02 0.02) = 0.064% HD3 LYS+ 20 - HA THR 38 9.091% * 0.0595% (0.46 1.0 0.02 0.29) = 0.059% HG LEU 90 - HA THR 38 9.091% * 0.0305% (0.24 1.0 0.02 0.02) = 0.030% HG13 ILE 68 - HA THR 38 9.091% * 0.0188% (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 = 4.07, residual support = 26.7: HN THR 24 - QG2 THR 24 100.000% *100.0000% (0.78 4.07 26.72) = 100.000% kept Peak 2964 (9.26, 1.00, 23.14 ppm): 2 chemical-shift based assignments, quality = 0.482, support = 2.83, residual support = 19.3: HN ILE 100 - QG1 VAL 99 50.000% * 86.4915% (0.51 3.12 20.44) = 86.491% kept HN LEU 23 - QG1 VAL 99 50.000% * 13.5085% (0.27 0.92 12.21) = 13.509% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2967 (8.96, 0.95, 23.18 ppm): 6 chemical-shift based assignments, quality = 0.0926, support = 0.69, residual support = 1.69: HN ARG+ 22 - QG2 VAL 99 16.667% * 45.9546% (0.09 1.00 2.35) = 45.955% kept HN MET 97 - QG2 VAL 99 16.667% * 29.1504% (0.12 0.48 0.79) = 29.150% kept HN PHE 21 - QG2 VAL 99 16.667% * 16.8323% (0.06 0.51 2.20) = 16.832% kept HN LEU 17 - QG2 VAL 99 16.667% * 6.4239% (0.12 0.10 0.15) = 6.424% kept HN THR 96 - QG2 VAL 99 16.667% * 0.8194% (0.08 0.02 0.02) = 0.819% HN ILE 19 - QG2 VAL 99 16.667% * 0.8194% (0.08 0.02 0.02) = 0.819% Not enough quality. Peak unassigned. Peak 2968 (8.31, 0.95, 23.15 ppm): 5 chemical-shift based assignments, quality = 0.168, support = 2.71, residual support = 22.3: HN VAL 99 - QG2 VAL 99 20.000% * 94.2930% (0.17 2.87 23.60) = 94.293% kept HN ALA 91 - QG2 VAL 99 20.000% * 3.8853% (0.12 0.17 0.02) = 3.885% kept HN GLU- 50 - QG2 VAL 99 20.000% * 1.1293% (0.04 0.14 0.21) = 1.129% kept HN ASN 76 - QG2 VAL 99 20.000% * 0.5280% (0.14 0.02 0.02) = 0.528% HN ASP- 28 - QG2 VAL 99 20.000% * 0.1644% (0.04 0.02 0.45) = 0.164% Peak 2969 (8.30, 3.84, 64.57 ppm): 10 chemical-shift based assignments, quality = 0.0354, support = 1.33, residual support = 1.87: HN ASN 89 - HB3 SER 88 10.000% * 58.8255% (0.03 1.94 2.81) = 58.826% kept HN ASN 76 - HB3 SER 77 10.000% * 28.7201% (0.04 0.63 0.75) = 28.720% kept HN ALA 91 - HB3 SER 88 10.000% * 2.3812% (0.10 0.02 0.02) = 2.381% kept HN ALA 91 - HB3 SER 77 10.000% * 2.1654% (0.09 0.02 0.02) = 2.165% kept HN VAL 99 - HB3 SER 88 10.000% * 1.8565% (0.08 0.02 0.02) = 1.857% kept HN VAL 99 - HB3 SER 77 10.000% * 1.6883% (0.07 0.02 0.02) = 1.688% kept HN ASP- 28 - HB3 SER 88 10.000% * 1.4735% (0.06 0.02 0.02) = 1.473% kept HN ASP- 28 - HB3 SER 77 10.000% * 1.3399% (0.06 0.02 0.02) = 1.340% kept HN ASN 76 - HB3 SER 88 10.000% * 0.9987% (0.04 0.02 0.02) = 0.999% HN ASN 89 - HB3 SER 77 10.000% * 0.5509% (0.02 0.02 0.02) = 0.551% 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): 2 chemical-shift based assignments, quality = 0.112, support = 0.724, residual support = 2.12: QD PHE 21 - QG2 VAL 99 50.000% * 96.4653% (0.11 0.75 2.20) = 96.465% kept HD22 ASN 15 - QG2 VAL 99 50.000% * 3.5347% (0.15 0.02 0.02) = 3.535% kept Not enough quality. Peak unassigned. Peak 2972 (4.80, 1.54, 23.11 ppm): 3 chemical-shift based assignments, quality = 0.874, support = 2.74, residual support = 13.9: HA LEU 23 - QG2 THR 24 33.333% * 91.9302% (0.90 2.96 15.17) = 91.930% kept HB THR 39 - QG2 THR 24 33.333% * 7.2814% (0.69 0.31 0.02) = 7.281% kept HA ASN 15 - QG2 THR 24 33.333% * 0.7883% (0.25 0.09 0.02) = 0.788% Peak 2973 (4.72, 1.01, 23.11 ppm): 6 chemical-shift based assignments, quality = 0.459, support = 1.82, residual support = 21.2: O HA VAL 99 - QG1 VAL 99 16.667% * 89.4737% (0.40 10.0 1.93 23.60) = 89.474% kept HA LYS+ 20 - QG1 VAL 99 16.667% * 9.9924% (0.97 1.0 0.90 0.87) = 9.992% kept HA2 GLY 30 - QG1 VAL 99 16.667% * 0.1803% (0.79 1.0 0.02 0.02) = 0.180% HA THR 39 - QG1 VAL 99 16.667% * 0.1635% (0.71 1.0 0.02 0.02) = 0.164% HA THR 61 - QG1 VAL 99 16.667% * 0.1275% (0.56 1.0 0.02 0.02) = 0.127% 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 = 2.86, residual support = 21.8: O HA VAL 99 - QG2 VAL 99 16.667% * 92.3854% (0.15 10.0 3.04 23.60) = 92.385% kept HA THR 61 - QG2 VAL 99 16.667% * 3.8251% (0.17 1.0 0.71 0.02) = 3.825% kept HA LYS+ 20 - QG2 VAL 99 16.667% * 3.4770% (0.17 1.0 0.64 0.87) = 3.477% kept HA2 GLY 30 - QG2 VAL 99 16.667% * 0.1206% (0.19 1.0 0.02 0.02) = 0.121% HA THR 39 - QG2 VAL 99 16.667% * 0.1185% (0.19 1.0 0.02 0.02) = 0.118% HA GLN 16 - QG2 VAL 99 16.667% * 0.0733% (0.12 1.0 0.02 0.02) = 0.073% Peak 2975 (4.44, 1.54, 23.11 ppm): 6 chemical-shift based assignments, quality = 0.779, support = 2.49, residual support = 26.7: O HB THR 24 - QG2 THR 24 16.667% * 99.8255% (0.78 10.0 2.50 26.72) = 99.825% kept HA GLU- 50 - QG2 THR 24 16.667% * 0.0773% (0.60 1.0 0.02 0.02) = 0.077% HA LYS+ 66 - QG2 THR 24 16.667% * 0.0369% (0.29 1.0 0.02 0.02) = 0.037% HA GLN 102 - QG2 THR 24 16.667% * 0.0209% (0.16 1.0 0.02 0.02) = 0.021% HA ILE 100 - QG2 THR 24 16.667% * 0.0209% (0.16 1.0 0.02 0.02) = 0.021% HA HIS+ 14 - QG2 THR 24 16.667% * 0.0184% (0.14 1.0 0.02 0.02) = 0.018% Peak 2976 (4.38, 3.85, 64.58 ppm): 22 chemical-shift based assignments, quality = 0.111, support = 1.62, residual support = 11.9: O T HA SER 88 - HB3 SER 88 4.545% * 92.4774% (0.11 10.0 10.00 1.74 12.89) = 92.477% kept T HA SER 27 - HB3 SER 77 4.545% * 4.1507% (0.13 1.0 10.00 0.08 0.02) = 4.151% kept T HA SER 27 - HB3 SER 88 4.545% * 1.1072% (0.13 1.0 10.00 0.02 0.02) = 1.107% kept T HA SER 88 - HB3 SER 77 4.545% * 0.8797% (0.11 1.0 10.00 0.02 0.02) = 0.880% HA ALA 37 - HB3 SER 88 4.545% * 0.1105% (0.13 1.0 1.00 0.02 0.02) = 0.110% HA LYS+ 60 - HB3 SER 88 4.545% * 0.1068% (0.13 1.0 1.00 0.02 0.02) = 0.107% HA ALA 37 - HB3 SER 77 4.545% * 0.1051% (0.13 1.0 1.00 0.02 0.02) = 0.105% HA TRP 51 - HB3 SER 88 4.545% * 0.1047% (0.13 1.0 1.00 0.02 0.02) = 0.105% HA ALA 91 - HB3 SER 88 4.545% * 0.1022% (0.12 1.0 1.00 0.02 0.02) = 0.102% HA LYS+ 60 - HB3 SER 77 4.545% * 0.1016% (0.12 1.0 1.00 0.02 0.02) = 0.102% HA TRP 51 - HB3 SER 77 4.545% * 0.0996% (0.12 1.0 1.00 0.02 0.02) = 0.100% HA ALA 91 - HB3 SER 77 4.545% * 0.0972% (0.12 1.0 1.00 0.02 0.02) = 0.097% HB THR 61 - HB3 SER 88 4.545% * 0.0846% (0.10 1.0 1.00 0.02 0.02) = 0.085% HB THR 61 - HB3 SER 77 4.545% * 0.0805% (0.10 1.0 1.00 0.02 0.02) = 0.080% HA2 GLY 26 - HB3 SER 88 4.545% * 0.0716% (0.09 1.0 1.00 0.02 0.02) = 0.072% HA2 GLY 26 - HB3 SER 77 4.545% * 0.0681% (0.08 1.0 1.00 0.02 0.02) = 0.068% HA ASN 57 - HB3 SER 88 4.545% * 0.0496% (0.06 1.0 1.00 0.02 0.02) = 0.050% HA ASN 57 - HB3 SER 77 4.545% * 0.0472% (0.06 1.0 1.00 0.02 0.02) = 0.047% HA THR 95 - HB3 SER 88 4.545% * 0.0455% (0.06 1.0 1.00 0.02 0.02) = 0.046% HA THR 95 - HB3 SER 77 4.545% * 0.0433% (0.05 1.0 1.00 0.02 0.02) = 0.043% HA PRO 104 - HB3 SER 88 4.545% * 0.0342% (0.04 1.0 1.00 0.02 0.02) = 0.034% HA PRO 104 - HB3 SER 77 4.545% * 0.0325% (0.04 1.0 1.00 0.02 0.02) = 0.033% 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): 11 chemical-shift based assignments, quality = 0.113, support = 0.0322, residual support = 0.02: HD3 PRO 59 - QG2 VAL 99 9.091% * 21.7119% (0.08 0.08 0.02) = 21.712% kept HA ASP- 36 - QG2 VAL 99 9.091% * 13.6165% (0.18 0.02 0.02) = 13.616% kept HA THR 106 - QG2 VAL 99 9.091% * 13.4063% (0.18 0.02 0.02) = 13.406% kept HA LEU 90 - QG2 VAL 99 9.091% * 10.0873% (0.14 0.02 0.02) = 10.087% kept HA ILE 29 - QG2 VAL 99 9.091% * 7.8648% (0.11 0.02 0.02) = 7.865% kept HA VAL 94 - QG2 VAL 99 9.091% * 6.2280% (0.08 0.02 0.02) = 6.228% kept HA SER 85 - QG2 VAL 99 9.091% * 5.7110% (0.08 0.02 0.02) = 5.711% kept HA PRO 52 - QG2 VAL 99 9.091% * 5.7110% (0.08 0.02 0.02) = 5.711% kept HA ARG+ 84 - QG2 VAL 99 9.091% * 5.7110% (0.08 0.02 0.02) = 5.711% kept HA ALA 93 - QG2 VAL 99 9.091% * 5.2137% (0.07 0.02 0.02) = 5.214% kept HA VAL 65 - QG2 VAL 99 9.091% * 4.7385% (0.06 0.02 0.02) = 4.739% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 2979 (4.20, 0.73, 23.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 = 2.94, residual support = 26.6: O T HA THR 24 - QG2 THR 24 20.000% * 99.6966% (0.94 10.0 10.00 2.95 26.72) = 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 = 0.124, support = 0.608, residual support = 0.141: HA VAL 13 - HB3 SER 88 10.000% * 61.8254% (0.17 1.00 0.61 0.02) = 61.825% kept HB3 SER 49 - HB3 SER 77 10.000% * 18.3576% (0.03 1.00 1.20 0.68) = 18.358% kept HB3 SER 49 - HB3 SER 88 10.000% * 4.0707% (0.03 1.00 0.26 0.02) = 4.071% kept T HB3 SER 85 - HB3 SER 88 10.000% * 4.0432% (0.03 10.00 0.02 0.02) = 4.043% kept T HB3 SER 85 - HB3 SER 77 10.000% * 3.9830% (0.03 10.00 0.02 0.02) = 3.983% kept HA VAL 13 - HB3 SER 77 10.000% * 2.0126% (0.17 1.00 0.02 0.02) = 2.013% kept HA THR 38 - HB3 SER 88 10.000% * 1.6360% (0.14 1.00 0.02 0.02) = 1.636% kept HA THR 38 - HB3 SER 77 10.000% * 1.6116% (0.13 1.00 0.02 0.02) = 1.612% kept HB THR 95 - HB3 SER 88 10.000% * 1.2392% (0.10 1.00 0.02 0.02) = 1.239% kept HB THR 95 - HB3 SER 77 10.000% * 1.2207% (0.10 1.00 0.02 0.02) = 1.221% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2985 (3.46, 0.95, 23.08 ppm): 6 chemical-shift based assignments, quality = 0.198, support = 0.821, residual support = 0.971: T HA VAL 62 - QG2 VAL 99 16.667% * 95.5672% (0.20 10.00 0.86 1.02) = 95.567% kept T HA VAL 40 - QG2 VAL 99 16.667% * 3.4114% (0.30 10.00 0.02 0.02) = 3.411% kept HA VAL 80 - QG2 VAL 99 16.667% * 0.3434% (0.30 1.00 0.02 0.02) = 0.343% HD3 PRO 31 - QG2 VAL 99 16.667% * 0.3087% (0.27 1.00 0.02 0.02) = 0.309% HA1 GLY 71 - QG2 VAL 99 16.667% * 0.2630% (0.23 1.00 0.02 0.02) = 0.263% HA ILE 48 - QG2 VAL 99 16.667% * 0.1062% (0.09 1.00 0.02 0.49) = 0.106% Not enough quality. Peak unassigned. Peak 2986 (2.96, 0.95, 23.18 ppm): 2 chemical-shift based assignments, quality = 0.0626, support = 0.627, residual support = 2.03: T HB2 PHE 21 - QG2 VAL 99 50.000% * 91.3204% (0.06 10.00 0.64 2.20) = 91.320% kept HA1 GLY 58 - QG2 VAL 99 50.000% * 8.6796% (0.08 1.00 0.48 0.21) = 8.680% kept Not enough quality. Peak unassigned. Peak 2987 (2.75, 0.95, 23.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2988 (2.18, 1.01, 23.12 ppm): 12 chemical-shift based assignments, quality = 0.981, support = 2.8, residual support = 23.1: O HB VAL 99 - QG1 VAL 99 8.333% * 97.8153% (0.99 10.0 2.86 23.60) = 97.815% kept HG2 GLN 102 - QG1 VAL 99 8.333% * 1.5206% (0.86 1.0 0.36 0.02) = 1.521% kept HG2 GLU- 64 - QG1 VAL 99 8.333% * 0.0977% (0.99 1.0 0.02 0.02) = 0.098% HB3 PRO 104 - QG1 VAL 99 8.333% * 0.0972% (0.98 1.0 0.02 0.02) = 0.097% HG2 GLN 16 - QG1 VAL 99 8.333% * 0.0961% (0.97 1.0 0.02 0.02) = 0.096% HB2 ASP- 82 - QG1 VAL 99 8.333% * 0.0879% (0.89 1.0 0.02 0.02) = 0.088% HG3 GLU- 64 - QG1 VAL 99 8.333% * 0.0859% (0.87 1.0 0.02 0.02) = 0.086% HB3 PRO 35 - QG1 VAL 99 8.333% * 0.0647% (0.66 1.0 0.02 0.02) = 0.065% HG2 PRO 104 - QG1 VAL 99 8.333% * 0.0403% (0.41 1.0 0.02 0.02) = 0.040% HG3 GLN 16 - QG1 VAL 99 8.333% * 0.0334% (0.34 1.0 0.02 0.02) = 0.033% HA1 GLY 58 - QG1 VAL 99 8.333% * 0.0313% (0.32 1.0 0.02 0.21) = 0.031% HB3 GLU- 75 - QG1 VAL 99 8.333% * 0.0296% (0.30 1.0 0.02 0.02) = 0.030% Peak 2989 (2.19, 0.95, 23.16 ppm): 14 chemical-shift based assignments, quality = 0.138, support = 1.77, residual support = 21.9: O T HB VAL 99 - QG2 VAL 99 7.143% * 92.6510% (0.14 10.0 10.00 1.91 23.60) = 92.651% kept T HG2 GLN 16 - QG2 VAL 99 7.143% * 4.4251% (0.13 1.0 10.00 0.10 0.02) = 4.425% kept HA1 GLY 58 - QG2 VAL 99 7.143% * 0.7891% (0.05 1.0 1.00 0.48 0.21) = 0.789% T HG2 GLN 102 - QG2 VAL 99 7.143% * 0.6894% (0.11 1.0 10.00 0.02 0.02) = 0.689% T HG3 GLN 16 - QG2 VAL 99 7.143% * 0.5281% (0.08 1.0 10.00 0.02 0.02) = 0.528% T HB3 GLU- 75 - QG2 VAL 99 7.143% * 0.2638% (0.04 1.0 10.00 0.02 0.02) = 0.264% T HG3 MET 97 - QG2 VAL 99 7.143% * 0.1986% (0.03 1.0 10.00 0.02 0.79) = 0.199% HG2 GLU- 64 - QG2 VAL 99 7.143% * 0.1004% (0.15 1.0 1.00 0.02 0.02) = 0.100% HB3 PRO 104 - QG2 VAL 99 7.143% * 0.0900% (0.14 1.0 1.00 0.02 0.02) = 0.090% HG3 GLU- 64 - QG2 VAL 99 7.143% * 0.0844% (0.13 1.0 1.00 0.02 0.02) = 0.084% HB2 ASP- 82 - QG2 VAL 99 7.143% * 0.0729% (0.11 1.0 1.00 0.02 0.02) = 0.073% HB3 PRO 35 - QG2 VAL 99 7.143% * 0.0685% (0.11 1.0 1.00 0.02 0.02) = 0.069% HG2 PRO 104 - QG2 VAL 99 7.143% * 0.0250% (0.04 1.0 1.00 0.02 0.02) = 0.025% HB2 GLU- 50 - QG2 VAL 99 7.143% * 0.0136% (0.02 1.0 1.00 0.02 0.21) = 0.014% Peak 2991 (2.01, 0.73, 23.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2996 (1.67, 0.95, 23.18 ppm): 8 chemical-shift based assignments, quality = 0.106, support = 1.84, residual support = 15.0: HB ILE 100 - QG2 VAL 99 12.500% * 70.8869% (0.12 2.25 20.44) = 70.887% kept HB3 ARG+ 22 - QG2 VAL 99 12.500% * 18.9844% (0.06 1.21 2.35) = 18.984% kept HB3 MET 97 - QG2 VAL 99 12.500% * 5.8763% (0.12 0.18 0.79) = 5.876% kept HB3 LYS+ 66 - QG2 VAL 99 12.500% * 2.3995% (0.12 0.08 0.02) = 2.399% kept HG3 ARG+ 84 - QG2 VAL 99 12.500% * 0.6079% (0.12 0.02 0.02) = 0.608% HB3 LYS+ 81 - QG2 VAL 99 12.500% * 0.5932% (0.11 0.02 0.27) = 0.593% HD3 LYS+ 55 - QG2 VAL 99 12.500% * 0.3638% (0.07 0.02 0.02) = 0.364% HG13 ILE 19 - QG2 VAL 99 12.500% * 0.2881% (0.05 0.02 0.02) = 0.288% Peak 2997 (1.59, 1.02, 23.13 ppm): 7 chemical-shift based assignments, quality = 0.641, support = 0.518, residual support = 0.402: HB3 LYS+ 32 - QG1 VAL 99 14.286% * 49.6201% (0.79 0.66 0.50) = 49.620% kept HD3 LYS+ 32 - QG1 VAL 99 14.286% * 26.0107% (0.77 0.35 0.50) = 26.011% kept HD3 LYS+ 60 - QG1 VAL 99 14.286% * 8.7045% (0.17 0.54 0.18) = 8.705% kept HB ILE 19 - QG1 VAL 99 14.286% * 8.4073% (0.24 0.37 0.02) = 8.407% kept HG LEU 17 - QG1 VAL 99 14.286% * 6.5507% (0.21 0.32 0.15) = 6.551% kept HG3 LYS+ 78 - QG1 VAL 99 14.286% * 0.4544% (0.24 0.02 0.02) = 0.454% HD3 LYS+ 81 - QG1 VAL 99 14.286% * 0.2522% (0.13 0.02 0.27) = 0.252% Not enough total support, support cutoff is 0.60 Peak unassigned. 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): 9 chemical-shift based assignments, quality = 0.551, support = 0.494, residual support = 0.302: HB3 LYS+ 32 - QG1 VAL 99 11.111% * 38.8033% (0.76 0.66 0.50) = 38.803% kept HD3 LYS+ 60 - QG1 VAL 99 11.111% * 17.3100% (0.41 0.54 0.18) = 17.310% kept HB ILE 19 - QG1 VAL 99 11.111% * 14.6320% (0.51 0.37 0.02) = 14.632% kept HG LEU 17 - QG1 VAL 99 11.111% * 11.9190% (0.47 0.32 0.15) = 11.919% kept HD3 LYS+ 32 - QG1 VAL 99 11.111% * 11.4140% (0.41 0.35 0.50) = 11.414% kept HG12 ILE 29 - QG1 VAL 99 11.111% * 3.9942% (0.17 0.29 0.02) = 3.994% kept HB3 LEU 90 - QG1 VAL 99 11.111% * 1.1072% (0.14 0.10 0.02) = 1.107% kept HD3 LYS+ 81 - QG1 VAL 99 11.111% * 0.5481% (0.35 0.02 0.27) = 0.548% QB ALA 42 - QG1 VAL 99 11.111% * 0.2722% (0.17 0.02 0.02) = 0.272% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 3004 (1.46, 0.73, 23.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 7 chemical-shift based assignments, quality = 0.617, support = 1.07, residual support = 1.24: QG2 ILE 48 - QG1 VAL 99 14.286% * 37.6181% (0.57 1.38 0.49) = 37.618% kept QG2 ILE 101 - QG1 VAL 99 14.286% * 28.2259% (0.36 1.63 3.72) = 28.226% kept QD1 ILE 68 - QG1 VAL 99 14.286% * 15.6832% (0.88 0.37 0.02) = 15.683% kept HG3 LYS+ 66 - QG1 VAL 99 14.286% * 10.1673% (0.97 0.22 0.02) = 10.167% kept QG1 VAL 40 - QG1 VAL 99 14.286% * 7.5653% (0.85 0.19 0.02) = 7.565% kept HG LEU 74 - QG1 VAL 99 14.286% * 0.4204% (0.44 0.02 0.02) = 0.420% HG3 LYS+ 44 - QG1 VAL 99 14.286% * 0.3199% (0.33 0.02 0.02) = 0.320% Peak 3021 (0.74, 0.73, 23.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 2 chemical-shift based assignments, quality = 0.513, support = 1.22, residual support = 5.76: T QD1 ILE 101 - QG1 VAL 99 50.000% * 76.0087% (0.44 10.00 1.02 3.72) = 76.009% kept QD1 LEU 23 - QG1 VAL 99 50.000% * 23.9913% (0.75 1.00 1.88 12.21) = 23.991% kept Peak 3025 (0.57, 0.73, 23.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3026 (0.12, 1.01, 23.14 ppm): 1 chemical-shift based assignment, quality = 0.989, support = 0.311, residual support = 0.311: QG2 VAL 47 - QG1 VAL 99 100.000% *100.0000% (0.99 0.31 0.31) = 100.000% kept Not enough total support, support cutoff is 0.60 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 = 0.619, support = 1.68, residual support = 8.46: HA THR 39 - HA THR 79 16.667% * 55.5145% (0.52 2.54 13.85) = 55.514% kept HA LYS+ 20 - HA THR 79 16.667% * 27.2088% (0.89 0.73 2.67) = 27.209% kept HA2 GLY 30 - HA THR 79 16.667% * 10.7035% (0.60 0.42 0.14) = 10.703% kept HA THR 61 - HA THR 79 16.667% * 6.2380% (0.37 0.40 0.48) = 6.238% kept HA VAL 99 - HA THR 79 16.667% * 0.2071% (0.25 0.02 0.02) = 0.207% HA GLN 16 - HA THR 79 16.667% * 0.1282% (0.15 0.02 0.02) = 0.128% Peak 3070 (4.49, 5.37, 60.01 ppm): 6 chemical-shift based assignments, quality = 0.818, support = 2.26, residual support = 18.3: O HB THR 79 - HA THR 79 16.667% * 99.6918% (0.82 10.0 2.27 18.35) = 99.692% kept HA SER 77 - HA THR 79 16.667% * 0.1194% (0.98 1.0 0.02 0.02) = 0.119% HA LYS+ 32 - HA THR 79 16.667% * 0.0820% (0.68 1.0 0.02 0.02) = 0.082% HA GLN 102 - HA THR 79 16.667% * 0.0368% (0.30 1.0 0.02 0.02) = 0.037% HA ILE 100 - HA THR 79 16.667% * 0.0368% (0.30 1.0 0.02 0.02) = 0.037% HB THR 46 - HA THR 79 16.667% * 0.0332% (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): 3 chemical-shift based assignments, quality = 0.886, support = 3.06, residual support = 18.1: O T QG2 THR 79 - HA THR 79 33.333% * 98.8698% (0.89 10.0 10.00 3.09 18.35) = 98.870% kept QG2 THR 95 - HA THR 79 33.333% * 1.0820% (0.37 1.0 1.00 0.53 0.02) = 1.082% kept QG2 THR 61 - HA THR 79 33.333% * 0.0482% (0.44 1.0 1.00 0.02 0.48) = 0.048% Peak 3073 (8.58, 5.35, 59.83 ppm): 4 chemical-shift based assignments, quality = 0.514, support = 2.93, residual support = 13.6: O HN VAL 80 - HA THR 79 25.000% * 86.8336% (0.52 10.0 3.03 13.96) = 86.834% kept HN THR 39 - HA THR 79 25.000% * 10.5767% (0.51 1.0 2.50 13.85) = 10.577% kept HN LYS+ 20 - HA THR 79 25.000% * 2.2380% (0.19 1.0 1.43 2.67) = 2.238% kept HN VAL 73 - HA THR 79 25.000% * 0.3516% (0.55 1.0 0.08 0.02) = 0.352% 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 (8.96, 5.27, 55.99 ppm): 6 chemical-shift based assignments, quality = 0.661, support = 1.94, residual support = 18.8: O HN PHE 21 - HA PHE 21 16.667% * 47.9234% (0.55 10.0 2.57 33.51) = 47.923% kept O HN ARG+ 22 - HA PHE 21 16.667% * 46.8868% (0.75 10.0 1.45 5.80) = 46.887% kept HN MET 97 - HA PHE 21 16.667% * 2.0738% (0.92 1.0 0.52 1.37) = 2.074% kept HN LEU 17 - HA PHE 21 16.667% * 1.8625% (0.98 1.0 0.44 0.02) = 1.863% kept HN THR 96 - HA PHE 21 16.667% * 1.2021% (0.67 1.0 0.41 0.02) = 1.202% kept HN ILE 19 - HA PHE 21 16.667% * 0.0513% (0.59 1.0 0.02 5.62) = 0.051% 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): 10 chemical-shift based assignments, quality = 0.519, support = 0.821, residual support = 5.13: QG2 VAL 105 - HA PHE 21 10.000% * 33.6311% (0.62 1.17 0.42) = 33.631% kept QG2 ILE 29 - HA PHE 21 10.000% * 21.8182% (0.40 1.17 21.88) = 21.818% kept QD1 LEU 17 - HA PHE 21 10.000% * 11.0489% (0.62 0.38 0.02) = 11.049% kept HG12 ILE 68 - HA PHE 21 10.000% * 10.8174% (0.54 0.43 0.47) = 10.817% kept QG2 VAL 62 - HA PHE 21 10.000% * 8.1982% (0.50 0.35 0.10) = 8.198% kept QG2 VAL 99 - HA PHE 21 10.000% * 6.0275% (0.17 0.75 2.20) = 6.028% kept HB2 ARG+ 84 - HA PHE 21 10.000% * 5.0829% (0.61 0.18 0.28) = 5.083% kept QG1 VAL 105 - HA PHE 21 10.000% * 2.5815% (0.62 0.09 0.42) = 2.582% kept QG2 VAL 73 - HA PHE 21 10.000% * 0.3971% (0.42 0.02 0.02) = 0.397% QG2 VAL 80 - HA PHE 21 10.000% * 0.3971% (0.42 0.02 0.02) = 0.397% 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 = 0.647, support = 4.25, residual support = 21.9: O HN ILE 29 - HA ASP- 28 50.000% * 97.2891% (0.66 10.0 4.34 22.47) = 97.289% kept HN LEU 23 - HA ASP- 28 50.000% * 2.7109% (0.29 1.0 1.25 1.86) = 2.711% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3165 (2.38, 5.97, 53.61 ppm): 6 chemical-shift based assignments, quality = 0.673, support = 3.33, residual support = 31.5: O T HB3 ASP- 28 - HA ASP- 28 16.667% * 95.7783% (0.68 10.0 10.00 3.44 32.90) = 95.778% kept HA1 GLY 58 - HA ASP- 28 16.667% * 3.6167% (0.52 1.0 1.00 1.00 0.02) = 3.617% kept HB3 PRO 35 - HA ASP- 28 16.667% * 0.3825% (0.63 1.0 1.00 0.09 0.02) = 0.382% HB2 LYS+ 78 - HA ASP- 28 16.667% * 0.1038% (0.74 1.0 1.00 0.02 0.12) = 0.104% HB3 GLU- 50 - HA ASP- 28 16.667% * 0.0900% (0.64 1.0 1.00 0.02 0.02) = 0.090% HG3 GLU- 50 - HA ASP- 28 16.667% * 0.0288% (0.21 1.0 1.00 0.02 0.02) = 0.029% Peak 3166 (2.14, 5.98, 53.56 ppm): 13 chemical-shift based assignments, quality = 0.931, support = 2.95, residual support = 32.2: O T HB2 ASP- 28 - HA ASP- 28 7.692% * 97.9706% (0.95 10.0 10.00 3.00 32.90) = 97.971% kept HA1 GLY 58 - HA ASP- 28 7.692% * 1.2337% (0.24 1.0 1.00 1.00 0.02) = 1.234% kept HB3 PRO 35 - HA ASP- 28 7.692% * 0.1958% (0.44 1.0 1.00 0.09 0.02) = 0.196% HG3 GLU- 64 - HA ASP- 28 7.692% * 0.0976% (0.94 1.0 1.00 0.02 0.02) = 0.098% HB3 LYS+ 78 - HA ASP- 28 7.692% * 0.0791% (0.77 1.0 1.00 0.02 0.12) = 0.079% HG2 GLU- 45 - HA ASP- 28 7.692% * 0.0791% (0.77 1.0 1.00 0.02 0.02) = 0.079% HB3 GLU- 75 - HA ASP- 28 7.692% * 0.0747% (0.72 1.0 1.00 0.02 0.02) = 0.075% HG2 GLU- 64 - HA ASP- 28 7.692% * 0.0723% (0.70 1.0 1.00 0.02 0.02) = 0.072% HB VAL 47 - HA ASP- 28 7.692% * 0.0639% (0.62 1.0 1.00 0.02 0.02) = 0.064% HB VAL 105 - HA ASP- 28 7.692% * 0.0600% (0.58 1.0 1.00 0.02 0.02) = 0.060% HB VAL 87 - HA ASP- 28 7.692% * 0.0337% (0.33 1.0 1.00 0.02 0.02) = 0.034% HG2 PRO 104 - HA ASP- 28 7.692% * 0.0220% (0.21 1.0 1.00 0.02 0.02) = 0.022% HB3 LEU 43 - HA ASP- 28 7.692% * 0.0173% (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 = 0.467, support = 4.76, residual support = 28.4: O HN ILE 68 - HA LEU 67 33.333% * 89.1186% (0.43 10.0 5.18 31.78) = 89.119% kept HN ASP- 36 - HA LEU 67 33.333% * 10.8463% (0.76 1.0 1.38 0.56) = 10.846% kept HN GLN 102 - HA LEU 67 33.333% * 0.0350% (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): 2 chemical-shift based assignments, quality = 0.842, support = 5.15, residual support = 78.3: O T HB2 LEU 67 - HA LEU 67 50.000% * 99.9382% (0.84 10.0 10.00 5.15 78.38) = 99.938% kept HG12 ILE 100 - HA LEU 67 50.000% * 0.0618% (0.52 1.0 1.00 0.02 4.71) = 0.062% Peak 3174 (0.91, 5.57, 52.81 ppm): 11 chemical-shift based assignments, quality = 0.701, support = 5.31, residual support = 58.7: QD1 LEU 67 - HA LEU 67 9.091% * 63.9727% (0.79 6.44 78.38) = 63.973% kept HG12 ILE 68 - HA LEU 67 9.091% * 26.7828% (0.50 4.27 31.78) = 26.783% kept QG1 VAL 47 - HA LEU 67 9.091% * 5.7268% (0.74 0.62 0.61) = 5.727% kept QG2 VAL 40 - HA LEU 67 9.091% * 2.8272% (0.67 0.33 0.02) = 2.827% kept QG2 VAL 80 - HA LEU 67 9.091% * 0.1693% (0.67 0.02 0.02) = 0.169% QG2 VAL 87 - HA LEU 67 9.091% * 0.1693% (0.67 0.02 0.02) = 0.169% QG1 VAL 80 - HA LEU 67 9.091% * 0.0911% (0.36 0.02 0.02) = 0.091% HB2 ARG+ 84 - HA LEU 67 9.091% * 0.0756% (0.30 0.02 0.02) = 0.076% QG2 VAL 105 - HA LEU 67 9.091% * 0.0684% (0.27 0.02 0.02) = 0.068% QD1 LEU 17 - HA LEU 67 9.091% * 0.0616% (0.25 0.02 0.02) = 0.062% QG1 VAL 105 - HA LEU 67 9.091% * 0.0552% (0.22 0.02 0.02) = 0.055% 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 3182 (9.54, 5.30, 49.08 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3183 (8.71, 5.26, 49.08 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3184 (6.10, 5.31, 48.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3191 (1.59, 5.30, 47.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3192 (1.21, 5.29, 47.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3193 (0.78, 5.28, 47.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3194 (0.01, 5.29, 47.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3196 (5.54, 5.29, 47.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3197 (2.97, 5.32, 44.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3198 (6.87, 5.30, 44.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3199 (4.70, 5.29, 44.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3200 (3.30, 5.32, 44.24 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 3299 (0.70, 0.70, 21.32 ppm): 2 diagonal assignments: QG2 THR 96 - QG2 THR 96 (0.66) kept QG2 VAL 94 - QG2 VAL 94 (0.10) kept Peak 3300 (0.91, 0.91, 20.89 ppm): 1 diagonal assignment: 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: 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): 18 chemical-shift based assignments, quality = 0.82, support = 3.81, residual support = 57.4: O T HB ILE 101 - QG2 ILE 101 5.556% * 49.3970% (0.84 10.0 10.00 6.08 114.85) = 49.397% kept T HB3 GLU- 75 - QG2 ILE 101 5.556% * 43.1411% (0.81 1.0 10.00 1.81 1.65) = 43.141% kept T HB VAL 62 - QG2 ILE 101 5.556% * 5.8691% (0.90 1.0 10.00 0.22 0.02) = 5.869% kept HG3 GLU- 64 - QG2 ILE 101 5.556% * 1.1786% (0.43 1.0 1.00 0.93 0.02) = 1.179% kept T HB3 GLU- 75 - QG2 ILE 68 5.556% * 0.2322% (0.39 1.0 10.00 0.02 0.14) = 0.232% HB2 GLU- 45 - QG2 ILE 101 5.556% * 0.0334% (0.57 1.0 1.00 0.02 0.13) = 0.033% HB VAL 62 - QG2 ILE 68 5.556% * 0.0259% (0.44 1.0 1.00 0.02 0.02) = 0.026% HB ILE 101 - QG2 ILE 68 5.556% * 0.0241% (0.41 1.0 1.00 0.02 0.02) = 0.024% HG3 PRO 86 - QG2 ILE 101 5.556% * 0.0188% (0.32 1.0 1.00 0.02 0.02) = 0.019% HB2 GLU- 45 - QG2 ILE 68 5.556% * 0.0163% (0.28 1.0 1.00 0.02 0.02) = 0.016% HG3 GLU- 64 - QG2 ILE 68 5.556% * 0.0123% (0.21 1.0 1.00 0.02 0.02) = 0.012% HB3 PRO 35 - QG2 ILE 101 5.556% * 0.0109% (0.18 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 86 - QG2 ILE 68 5.556% * 0.0092% (0.16 1.0 1.00 0.02 0.02) = 0.009% HA1 GLY 58 - QG2 ILE 101 5.556% * 0.0089% (0.15 1.0 1.00 0.02 0.02) = 0.009% HG2 GLU- 64 - QG2 ILE 101 5.556% * 0.0084% (0.14 1.0 1.00 0.02 0.02) = 0.008% HB3 PRO 35 - QG2 ILE 68 5.556% * 0.0053% (0.09 1.0 1.00 0.02 0.02) = 0.005% HA1 GLY 58 - QG2 ILE 68 5.556% * 0.0043% (0.07 1.0 1.00 0.02 0.15) = 0.004% HG2 GLU- 64 - QG2 ILE 68 5.556% * 0.0041% (0.07 1.0 1.00 0.02 0.02) = 0.004% Peak 3305 (9.31, 0.95, 17.31 ppm): 2 chemical-shift based assignments, quality = 0.857, support = 5.16, residual support = 48.1: HN ILE 29 - QG2 ILE 29 50.000% * 84.6810% (0.92 5.76 54.10) = 84.681% kept HN LEU 23 - QG2 ILE 29 50.000% * 15.3190% (0.52 1.83 14.94) = 15.319% kept Peak 3306 (0.91, 3.93, 56.31 ppm): 12 chemical-shift based assignments, quality = 0.617, support = 0.89, residual support = 4.58: QD1 LEU 67 - HA LEU 74 8.333% * 25.8438% (0.69 1.16 14.85) = 25.844% kept HG12 ILE 68 - HA LEU 74 8.333% * 25.3133% (0.65 1.19 2.28) = 25.313% kept QG2 VAL 80 - HA LEU 74 8.333% * 15.1724% (0.81 0.58 0.58) = 15.172% kept QG1 VAL 80 - HA LEU 74 8.333% * 10.0411% (0.25 1.24 0.58) = 10.041% kept QG1 VAL 47 - HA LEU 74 8.333% * 7.4888% (0.62 0.37 0.02) = 7.489% kept QG2 VAL 87 - HA LEU 74 8.333% * 7.0587% (0.55 0.40 0.02) = 7.059% kept QG2 VAL 40 - HA LEU 74 8.333% * 4.9144% (0.55 0.28 0.02) = 4.914% kept HB2 ARG+ 84 - HA LEU 74 8.333% * 3.3664% (0.44 0.24 0.44) = 3.366% kept QG2 VAL 105 - HA LEU 74 8.333% * 0.2621% (0.40 0.02 0.02) = 0.262% QD1 LEU 17 - HA LEU 74 8.333% * 0.2404% (0.37 0.02 0.02) = 0.240% QG1 VAL 105 - HA LEU 74 8.333% * 0.2194% (0.34 0.02 0.02) = 0.219% QG2 VAL 62 - HA LEU 74 8.333% * 0.0791% (0.12 0.02 0.02) = 0.079% Peak 3307 (2.37, 3.93, 56.31 ppm): 6 chemical-shift based assignments, quality = 0.776, support = 1.09, residual support = 1.36: HB3 GLU- 50 - HA LEU 74 16.667% * 38.5789% (0.85 1.32 1.72) = 38.579% kept HB3 PRO 35 - HA LEU 74 16.667% * 30.6309% (0.80 1.11 0.99) = 30.631% kept HG3 GLU- 50 - HA LEU 74 16.667% * 22.7048% (0.69 0.96 1.72) = 22.705% kept HA1 GLY 58 - HA LEU 74 16.667% * 7.3848% (0.61 0.36 0.02) = 7.385% kept HB2 LYS+ 78 - HA LEU 74 16.667% * 0.4239% (0.62 0.02 0.02) = 0.424% HB3 ASP- 28 - HA LEU 74 16.667% * 0.2767% (0.40 0.02 0.02) = 0.277% Peak 3308 (4.00, 0.69, 14.32 ppm): 8 chemical-shift based assignments, quality = 0.879, support = 2.33, residual support = 9.08: T HB THR 95 - QD1 ILE 19 12.500% * 91.9566% (0.89 10.00 2.44 9.77) = 91.957% kept HA1 GLY 92 - QD1 ILE 19 12.500% * 5.6846% (0.83 1.00 1.33 1.54) = 5.685% kept HA THR 38 - QD1 ILE 19 12.500% * 2.3072% (0.72 1.00 0.62 0.35) = 2.307% kept HA VAL 13 - QD1 ILE 19 12.500% * 0.0350% (0.34 1.00 0.02 0.02) = 0.035% HB THR 95 - QD1 ILE 68 12.500% * 0.0053% (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% * 0.0043% (0.04 1.00 0.02 0.02) = 0.004% HA VAL 13 - QD1 ILE 68 12.500% * 0.0020% (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 = 0.509, support = 0.746, residual support = 0.551: HA1 GLY 58 - QD1 ILE 100 33.333% * 67.1254% (0.60 0.82 0.64) = 67.125% kept HB2 HIS+ 98 - QD1 ILE 100 33.333% * 21.7694% (0.19 0.82 0.02) = 21.769% kept HE3 LYS+ 60 - QD1 ILE 100 33.333% * 11.1052% (0.60 0.14 1.08) = 11.105% kept Peak 3311 (0.83, 3.28, 50.26 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3312 (0.84, 1.88, 50.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3313 (1.97, 3.61, 50.61 ppm): 14 chemical-shift based assignments, quality = 0.346, support = 3.26, residual support = 51.4: O HG3 PRO 104 - HD2 PRO 104 7.143% * 93.0737% (0.37 10.0 3.24 53.16) = 93.074% kept O HG3 PRO 31 - HD2 PRO 31 7.143% * 6.5669% (0.03 10.0 3.65 28.87) = 6.567% kept HB VAL 73 - HD2 PRO 104 7.143% * 0.0939% (0.37 1.0 0.02 0.02) = 0.094% HB VAL 13 - HD2 PRO 104 7.143% * 0.0607% (0.24 1.0 0.02 0.02) = 0.061% HB2 LYS+ 108 - HD2 PRO 104 7.143% * 0.0570% (0.23 1.0 0.02 0.02) = 0.057% HG3 PRO 31 - HD2 PRO 104 7.143% * 0.0290% (0.12 1.0 0.02 0.02) = 0.029% HB3 LYS+ 55 - HD2 PRO 104 7.143% * 0.0261% (0.10 1.0 0.02 0.02) = 0.026% HB VAL 73 - HD2 PRO 31 7.143% * 0.0213% (0.08 1.0 0.02 0.02) = 0.021% HG3 PRO 104 - HD2 PRO 31 7.143% * 0.0211% (0.08 1.0 0.02 0.02) = 0.021% HB2 GLU- 75 - HD2 PRO 104 7.143% * 0.0145% (0.06 1.0 0.02 0.02) = 0.014% HB VAL 13 - HD2 PRO 31 7.143% * 0.0138% (0.05 1.0 0.02 0.02) = 0.014% HB2 LYS+ 108 - HD2 PRO 31 7.143% * 0.0129% (0.05 1.0 0.02 0.02) = 0.013% HB3 LYS+ 55 - HD2 PRO 31 7.143% * 0.0059% (0.02 1.0 0.02 0.35) = 0.006% HB2 GLU- 75 - HD2 PRO 31 7.143% * 0.0033% (0.01 1.0 0.02 0.02) = 0.003% 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 3315 (2.22, 1.86, 47.63 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3317 (2.80, 1.86, 47.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3318 (0.73, 1.74, 47.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3319 (0.55, 1.74, 47.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3320 (0.74, 1.86, 47.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3321 (0.55, 1.86, 47.64 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3322 (1.77, 1.86, 47.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3323 (0.46, 1.47, 46.84 ppm): 2 chemical-shift based assignments, quality = 0.705, support = 2.72, residual support = 12.3: T QD2 LEU 74 - HB3 LEU 67 50.000% * 75.0187% (0.83 10.00 3.09 14.85) = 75.019% kept T QD2 LEU 43 - HB3 LEU 67 50.000% * 24.9813% (0.34 10.00 1.61 4.82) = 24.981% kept Peak 3324 (0.46, 1.21, 46.82 ppm): 2 chemical-shift based assignments, quality = 0.728, support = 1.75, residual support = 11.5: T QD2 LEU 74 - HB2 LEU 67 50.000% * 66.2815% (0.87 10.00 1.77 14.85) = 66.282% kept T QD2 LEU 43 - HB2 LEU 67 50.000% * 33.7185% (0.46 10.00 1.71 4.82) = 33.718% kept Peak 3325 (5.58, 1.21, 46.81 ppm): 1 chemical-shift based assignment, quality = 0.854, support = 5.15, residual support = 78.4: O T HA LEU 67 - HB2 LEU 67 100.000% *100.0000% (0.85 10.0 10.00 5.15 78.38) = 100.000% kept Peak 3326 (5.58, 1.47, 46.81 ppm): 1 chemical-shift based assignment, quality = 0.792, support = 4.52, residual support = 78.4: O HA LEU 67 - HB3 LEU 67 100.000% *100.0000% (0.79 10.0 4.52 78.38) = 100.000% kept Peak 3327 (1.39, 2.13, 45.41 ppm): 11 chemical-shift based assignments, quality = 0.724, support = 1.35, residual support = 3.06: HD3 LYS+ 20 - HB2 ASP- 28 9.091% * 58.1401% (0.84 1.86 4.22) = 58.140% kept HB3 LYS+ 20 - HB2 ASP- 28 9.091% * 14.1654% (0.29 1.32 4.22) = 14.165% kept HG13 ILE 68 - HB2 ASP- 28 9.091% * 10.8864% (0.91 0.32 0.02) = 10.886% kept HG2 LYS+ 78 - HB2 ASP- 28 9.091% * 8.9562% (0.61 0.40 0.12) = 8.956% kept HG13 ILE 100 - HB2 ASP- 28 9.091% * 3.1037% (0.53 0.16 0.02) = 3.104% kept QG2 THR 39 - HB2 ASP- 28 9.091% * 2.2507% (0.78 0.08 0.02) = 2.251% kept HG LEU 67 - HB2 ASP- 28 9.091% * 1.5051% (0.49 0.08 0.02) = 1.505% kept QB ALA 93 - HB2 ASP- 28 9.091% * 0.3947% (0.53 0.02 0.02) = 0.395% QB ALA 11 - HB2 ASP- 28 9.091% * 0.2378% (0.32 0.02 0.02) = 0.238% QB ALA 37 - HB2 ASP- 28 9.091% * 0.2378% (0.32 0.02 0.02) = 0.238% HB3 LEU 17 - HB2 ASP- 28 9.091% * 0.1221% (0.16 0.02 0.02) = 0.122% Peak 3328 (1.02, 2.13, 45.41 ppm): 2 chemical-shift based assignments, quality = 0.547, support = 1.44, residual support = 2.9: HG3 LYS+ 20 - HB2 ASP- 28 50.000% * 65.1101% (0.42 1.92 4.22) = 65.110% kept QG1 VAL 99 - HB2 ASP- 28 50.000% * 34.8899% (0.78 0.55 0.45) = 34.890% kept Peak 3329 (1.39, 2.38, 45.41 ppm): 11 chemical-shift based assignments, quality = 0.721, support = 1.34, residual support = 3.06: HD3 LYS+ 20 - HB3 ASP- 28 9.091% * 57.3610% (0.84 1.83 4.22) = 57.361% kept HB3 LYS+ 20 - HB3 ASP- 28 9.091% * 14.9530% (0.29 1.39 4.22) = 14.953% kept HG13 ILE 68 - HB3 ASP- 28 9.091% * 11.2046% (0.90 0.33 0.02) = 11.205% kept HG2 LYS+ 78 - HB3 ASP- 28 9.091% * 9.0871% (0.61 0.40 0.12) = 9.087% kept HG13 ILE 100 - HB3 ASP- 28 9.091% * 2.6881% (0.53 0.14 0.02) = 2.688% kept QG2 THR 39 - HB3 ASP- 28 9.091% * 2.2510% (0.78 0.08 0.02) = 2.251% kept HG LEU 67 - HB3 ASP- 28 9.091% * 1.4628% (0.49 0.08 0.02) = 1.463% kept QB ALA 93 - HB3 ASP- 28 9.091% * 0.3947% (0.53 0.02 0.02) = 0.395% QB ALA 11 - HB3 ASP- 28 9.091% * 0.2378% (0.32 0.02 0.02) = 0.238% QB ALA 37 - HB3 ASP- 28 9.091% * 0.2378% (0.32 0.02 0.02) = 0.238% HB3 LEU 17 - HB3 ASP- 28 9.091% * 0.1221% (0.16 0.02 0.02) = 0.122% Peak 3330 (1.02, 2.38, 45.41 ppm): 2 chemical-shift based assignments, quality = 0.627, support = 1.62, residual support = 3.36: HG3 LYS+ 20 - HB3 ASP- 28 50.000% * 77.2130% (0.64 1.91 4.22) = 77.213% kept QG1 VAL 99 - HB3 ASP- 28 50.000% * 22.7870% (0.57 0.64 0.45) = 22.787% kept Peak 3331 (0.68, 3.46, 45.57 ppm): 8 chemical-shift based assignments, quality = 0.577, support = 1.71, residual support = 2.39: T QG2 ILE 68 - HA1 GLY 71 12.500% * 57.1062% (0.63 10.00 1.96 3.12) = 57.106% kept T QG2 ILE 101 - HA1 GLY 71 12.500% * 35.3631% (0.50 10.00 1.52 1.61) = 35.363% kept QG2 ILE 48 - HA1 GLY 71 12.500% * 3.1072% (0.64 1.00 1.04 0.92) = 3.107% kept QG1 VAL 62 - HA1 GLY 71 12.500% * 2.1911% (0.49 1.00 0.96 0.24) = 2.191% kept HG12 ILE 19 - HA1 GLY 71 12.500% * 1.1283% (0.64 1.00 0.38 0.50) = 1.128% kept QD1 ILE 19 - HA1 GLY 71 12.500% * 0.8425% (0.61 1.00 0.30 0.50) = 0.843% T QG2 THR 96 - HA1 GLY 71 12.500% * 0.2033% (0.22 10.00 0.02 0.02) = 0.203% QG2 VAL 94 - HA1 GLY 71 12.500% * 0.0584% (0.63 1.00 0.02 0.02) = 0.058% 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): 16 chemical-shift based assignments, quality = 0.192, support = 4.88, residual support = 133.0: O HG LEU 43 - HB2 LEU 43 6.250% * 89.7792% (0.15 10.0 5.42 148.16) = 89.779% kept HD3 LYS+ 32 - HB2 LEU 43 6.250% * 3.6470% (0.84 1.0 0.15 0.02) = 3.647% kept HB3 LYS+ 32 - HB2 LEU 43 6.250% * 3.1565% (0.73 1.0 0.15 0.02) = 3.157% kept HB ILE 68 - HB2 LEU 74 6.250% * 1.1772% (0.11 1.0 0.36 2.28) = 1.177% kept HB ILE 68 - HB2 LEU 43 6.250% * 0.7067% (0.15 1.0 0.16 1.23) = 0.707% HD3 LYS+ 32 - HB2 LEU 74 6.250% * 0.3590% (0.61 1.0 0.02 1.05) = 0.359% HB3 LYS+ 32 - HB2 LEU 74 6.250% * 0.3107% (0.53 1.0 0.02 1.05) = 0.311% HG3 LYS+ 78 - HB2 LEU 43 6.250% * 0.1924% (0.33 1.0 0.02 0.02) = 0.192% HG3 LYS+ 78 - HB2 LEU 74 6.250% * 0.1396% (0.24 1.0 0.02 0.02) = 0.140% HB ILE 19 - HB2 LEU 43 6.250% * 0.1015% (0.17 1.0 0.02 0.10) = 0.101% HG LEU 17 - HB2 LEU 43 6.250% * 0.0898% (0.15 1.0 0.02 0.02) = 0.090% HG12 ILE 101 - HB2 LEU 43 6.250% * 0.0791% (0.13 1.0 0.02 0.02) = 0.079% HB ILE 19 - HB2 LEU 74 6.250% * 0.0736% (0.13 1.0 0.02 0.02) = 0.074% HG LEU 43 - HB2 LEU 74 6.250% * 0.0651% (0.11 1.0 0.02 0.02) = 0.065% HG LEU 17 - HB2 LEU 74 6.250% * 0.0651% (0.11 1.0 0.02 0.02) = 0.065% HG12 ILE 101 - HB2 LEU 74 6.250% * 0.0574% (0.10 1.0 0.02 0.13) = 0.057% Peak 3334 (0.46, 1.29, 41.94 ppm): 2 chemical-shift based assignments, quality = 0.685, support = 5.37, residual support = 107.9: O QD2 LEU 74 - HB3 LEU 74 50.000% * 99.9382% (0.69 10.0 5.38 107.93) = 99.938% kept QD2 LEU 43 - HB3 LEU 74 50.000% * 0.0618% (0.42 1.0 0.02 0.02) = 0.062% Peak 3335 (-0.04, 1.29, 41.94 ppm): 1 chemical-shift based assignment, quality = 0.675, support = 4.67, residual support = 107.9: O QD1 LEU 74 - HB3 LEU 74 100.000% *100.0000% (0.68 10.0 4.67 107.93) = 100.000% kept Peak 3336 (6.90, 1.92, 41.19 ppm): 4 chemical-shift based assignments, quality = 0.565, support = 3.39, residual support = 15.4: QD PHE 21 - HB ILE 29 25.000% * 69.0085% (0.51 4.41 21.88) = 69.008% kept HD22 ASN 15 - HB ILE 29 25.000% * 24.1786% (0.85 0.92 1.01) = 24.179% kept QD PHE 21 - HB2 LEU 23 25.000% * 6.6900% (0.12 1.82 0.94) = 6.690% kept HD22 ASN 15 - HB2 LEU 23 25.000% * 0.1229% (0.20 0.02 0.02) = 0.123% Peak 3337 (5.29, 2.74, 39.91 ppm): 1 chemical-shift based assignment, quality = 0.142, support = 1.56, residual support = 33.5: O HA PHE 21 - HB3 PHE 21 100.000% *100.0000% (0.14 10.0 1.56 33.51) = 100.000% kept Peak 3338 (5.29, 2.97, 39.90 ppm): 1 chemical-shift based assignment, quality = 0.102, support = 1.97, residual support = 33.5: O HA PHE 21 - HB2 PHE 21 100.000% *100.0000% (0.10 10.0 1.97 33.51) = 100.000% kept Peak 3339 (7.43, 2.28, 37.56 ppm): 4 chemical-shift based assignments, quality = 0.0419, support = 2.17, residual support = 7.78: HN GLU- 64 - HG2 GLU- 64 25.000% * 69.3523% (0.04 2.33 8.11) = 69.352% kept HN GLU- 64 - HG3 GLU- 64 25.000% * 26.5116% (0.02 2.09 8.11) = 26.512% kept HN THR 61 - HG2 GLU- 64 25.000% * 2.9010% (0.21 0.02 0.02) = 2.901% kept HN THR 61 - HG3 GLU- 64 25.000% * 1.2351% (0.09 0.02 0.02) = 1.235% kept Peak 3340 (7.42, 2.02, 31.82 ppm): 2 chemical-shift based assignments, quality = 0.323, support = 0.877, residual support = 0.834: HN THR 61 - HB3 GLU- 75 50.000% * 81.9018% (0.37 0.91 1.01) = 81.902% kept HN GLU- 64 - HB3 GLU- 75 50.000% * 18.0982% (0.10 0.74 0.02) = 18.098% kept Peak 3341 (8.09, 1.96, 31.75 ppm): 4 chemical-shift based assignments, quality = 0.206, support = 0.02, residual support = 0.02: HN SER 88 - HB VAL 73 25.000% * 42.8058% (0.29 0.02 0.02) = 42.806% kept HN GLY 26 - HB VAL 73 25.000% * 24.2886% (0.17 0.02 0.02) = 24.289% kept HN SER 88 - HB2 GLU- 75 25.000% * 20.9935% (0.14 0.02 0.02) = 20.994% kept HN GLY 26 - HB2 GLU- 75 25.000% * 11.9120% (0.08 0.02 0.02) = 11.912% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3342 (4.24, 2.02, 30.22 ppm): 60 chemical-shift based assignments, quality = 0.267, support = 2.33, residual support = 8.31: O HA GLU- 10 - HB3 GLU- 10 1.667% * 39.6065% (0.41 10.0 1.00 3.52 14.46) = 39.607% kept T HA LYS+ 108 - HB3 GLU- 107 1.667% * 21.3328% (0.22 1.0 10.00 2.02 8.47) = 21.333% kept O T HA GLU- 107 - HB3 GLU- 107 1.667% * 12.0776% (0.13 10.0 10.00 2.31 2.64) = 12.078% kept T HA GLU- 10 - HB2 HIS+ 14 1.667% * 4.9402% (0.31 1.0 10.00 0.33 0.02) = 4.940% kept T HA LYS+ 108 - HB2 HIS+ 14 1.667% * 4.3589% (0.31 1.0 10.00 0.29 0.02) = 4.359% kept O T HA GLU- 75 - HB3 GLU- 75 1.667% * 3.3322% (0.03 10.0 10.00 3.22 10.58) = 3.332% kept T HA PRO 59 - HB3 GLU- 75 1.667% * 2.9721% (0.11 1.0 10.00 0.55 0.02) = 2.972% kept HA ALA 11 - HB3 GLU- 10 1.667% * 2.5237% (0.28 1.0 1.00 1.86 3.82) = 2.524% kept T HA GLU- 56 - HB3 GLU- 75 1.667% * 1.8624% (0.07 1.0 10.00 0.59 0.02) = 1.862% kept T HB3 SER 49 - HB3 GLU- 75 1.667% * 1.5384% (0.05 1.0 10.00 0.62 0.27) = 1.538% kept HA ASN 76 - HB3 GLU- 75 1.667% * 0.5718% (0.08 1.0 1.00 1.57 0.10) = 0.572% T HA GLU- 64 - HB3 GLU- 75 1.667% * 0.5060% (0.03 1.0 10.00 0.34 0.02) = 0.506% T HA PRO 59 - HB3 GLU- 10 1.667% * 0.3552% (0.37 1.0 10.00 0.02 0.02) = 0.355% T HA SER 49 - HB3 GLU- 10 1.667% * 0.3552% (0.37 1.0 10.00 0.02 0.02) = 0.355% HA ALA 11 - HB3 GLU- 75 1.667% * 0.2864% (0.09 1.0 1.00 0.70 0.02) = 0.286% T HA PRO 59 - HB2 HIS+ 14 1.667% * 0.2664% (0.28 1.0 10.00 0.02 0.02) = 0.266% T HA SER 49 - HB2 HIS+ 14 1.667% * 0.2664% (0.28 1.0 10.00 0.02 0.02) = 0.266% T HA GLU- 10 - HB3 GLU- 107 1.667% * 0.2133% (0.22 1.0 10.00 0.02 0.02) = 0.213% T HA PRO 59 - HB3 GLU- 107 1.667% * 0.1913% (0.20 1.0 10.00 0.02 0.02) = 0.191% T HA SER 49 - HB3 GLU- 107 1.667% * 0.1913% (0.20 1.0 10.00 0.02 0.02) = 0.191% T HA GLU- 107 - HB2 HIS+ 14 1.667% * 0.1682% (0.17 1.0 10.00 0.02 0.02) = 0.168% T HB3 SER 49 - HB3 GLU- 10 1.667% * 0.1628% (0.17 1.0 10.00 0.02 0.02) = 0.163% T HA GLU- 56 - HB2 HIS+ 14 1.667% * 0.1563% (0.16 1.0 10.00 0.02 0.02) = 0.156% T HB3 SER 49 - HB2 HIS+ 14 1.667% * 0.1221% (0.13 1.0 10.00 0.02 0.02) = 0.122% T HA GLU- 12 - HB2 HIS+ 14 1.667% * 0.1221% (0.13 1.0 10.00 0.02 0.21) = 0.122% T HA LYS+ 108 - HB3 GLU- 75 1.667% * 0.1198% (0.12 1.0 10.00 0.02 0.02) = 0.120% T HA GLU- 10 - HB3 GLU- 75 1.667% * 0.1198% (0.12 1.0 10.00 0.02 0.02) = 0.120% T HA GLU- 56 - HB3 GLU- 107 1.667% * 0.1122% (0.12 1.0 10.00 0.02 0.02) = 0.112% T HA SER 49 - HB3 GLU- 75 1.667% * 0.1075% (0.11 1.0 10.00 0.02 0.27) = 0.107% T HB3 SER 49 - HB3 GLU- 107 1.667% * 0.0877% (0.09 1.0 10.00 0.02 0.02) = 0.088% T HA GLU- 12 - HB3 GLU- 107 1.667% * 0.0877% (0.09 1.0 10.00 0.02 0.02) = 0.088% T HA GLU- 75 - HB2 HIS+ 14 1.667% * 0.0826% (0.09 1.0 10.00 0.02 0.02) = 0.083% T HA GLU- 64 - HB2 HIS+ 14 1.667% * 0.0741% (0.08 1.0 10.00 0.02 0.02) = 0.074% T HA GLU- 107 - HB3 GLU- 75 1.667% * 0.0679% (0.07 1.0 10.00 0.02 0.02) = 0.068% T HA GLU- 75 - HB3 GLU- 107 1.667% * 0.0593% (0.06 1.0 10.00 0.02 0.02) = 0.059% T HA GLU- 64 - HB3 GLU- 107 1.667% * 0.0532% (0.06 1.0 10.00 0.02 0.02) = 0.053% T HA GLU- 12 - HB3 GLU- 75 1.667% * 0.0493% (0.05 1.0 10.00 0.02 0.02) = 0.049% HA LYS+ 108 - HB3 GLU- 10 1.667% * 0.0396% (0.41 1.0 1.00 0.02 0.02) = 0.040% HA GLU- 54 - HB3 GLU- 10 1.667% * 0.0396% (0.41 1.0 1.00 0.02 0.02) = 0.040% HA ALA 42 - HB3 GLU- 10 1.667% * 0.0375% (0.39 1.0 1.00 0.02 0.02) = 0.037% HA GLU- 18 - HB3 GLU- 10 1.667% * 0.0344% (0.36 1.0 1.00 0.02 0.02) = 0.034% HA GLU- 54 - HB2 HIS+ 14 1.667% * 0.0297% (0.31 1.0 1.00 0.02 0.02) = 0.030% HA ALA 42 - HB2 HIS+ 14 1.667% * 0.0281% (0.29 1.0 1.00 0.02 0.02) = 0.028% HA GLU- 18 - HB2 HIS+ 14 1.667% * 0.0258% (0.27 1.0 1.00 0.02 0.15) = 0.026% HA ASN 76 - HB3 GLU- 10 1.667% * 0.0240% (0.25 1.0 1.00 0.02 0.02) = 0.024% HA GLU- 107 - HB3 GLU- 10 1.667% * 0.0224% (0.23 1.0 1.00 0.02 0.02) = 0.022% HA GLU- 54 - HB3 GLU- 107 1.667% * 0.0213% (0.22 1.0 1.00 0.02 0.02) = 0.021% HA GLU- 56 - HB3 GLU- 10 1.667% * 0.0208% (0.22 1.0 1.00 0.02 0.02) = 0.021% HA ALA 11 - HB2 HIS+ 14 1.667% * 0.0204% (0.21 1.0 1.00 0.02 0.02) = 0.020% HA ALA 42 - HB3 GLU- 107 1.667% * 0.0202% (0.21 1.0 1.00 0.02 0.02) = 0.020% HA GLU- 18 - HB3 GLU- 107 1.667% * 0.0185% (0.19 1.0 1.00 0.02 0.02) = 0.019% HA ASN 76 - HB2 HIS+ 14 1.667% * 0.0180% (0.19 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 12 - HB3 GLU- 10 1.667% * 0.0163% (0.17 1.0 1.00 0.02 0.02) = 0.016% HA ALA 11 - HB3 GLU- 107 1.667% * 0.0147% (0.15 1.0 1.00 0.02 0.02) = 0.015% HA ASN 76 - HB3 GLU- 107 1.667% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 54 - HB3 GLU- 75 1.667% * 0.0120% (0.12 1.0 1.00 0.02 0.18) = 0.012% HA ALA 42 - HB3 GLU- 75 1.667% * 0.0113% (0.12 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 75 - HB3 GLU- 10 1.667% * 0.0110% (0.11 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 18 - HB3 GLU- 75 1.667% * 0.0104% (0.11 1.0 1.00 0.02 0.02) = 0.010% HA GLU- 64 - HB3 GLU- 10 1.667% * 0.0099% (0.10 1.0 1.00 0.02 0.02) = 0.010% 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 = 3.29, residual support = 19.6: O HA THR 61 - HB THR 61 16.667% * 96.8237% (0.86 10.0 3.39 20.22) = 96.824% kept HA2 GLY 30 - HB THR 61 16.667% * 1.7120% (0.96 1.0 0.32 0.02) = 1.712% kept HA VAL 99 - HB THR 61 16.667% * 1.1962% (0.73 1.0 0.29 0.02) = 1.196% 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 0.02) = 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 = 0.669, support = 4.4, residual support = 16.5: HN VAL 62 - HB THR 61 25.000% * 91.3753% (0.66 4.78 18.05) = 91.375% kept HN PHE 34 - HB THR 61 25.000% * 7.8849% (0.83 0.33 0.02) = 7.885% kept HN THR 95 - HB THR 61 25.000% * 0.4250% (0.73 0.02 0.02) = 0.425% HN SER 69 - HB THR 61 25.000% * 0.3148% (0.54 0.02 0.02) = 0.315% Peak 3346 (1.46, 0.39, 29.23 ppm): 8 chemical-shift based assignments, quality = 0.945, support = 4.91, residual support = 131.1: O T HG13 ILE 48 - HG12 ILE 48 12.500% * 99.6068% (0.95 10.0 10.00 4.93 131.63) = 99.607% kept HG2 PRO 59 - HG12 ILE 48 12.500% * 0.0963% (0.92 1.0 1.00 0.02 0.02) = 0.096% HG3 LYS+ 60 - HG12 ILE 48 12.500% * 0.0963% (0.92 1.0 1.00 0.02 0.89) = 0.096% HB3 LEU 67 - HG12 ILE 48 12.500% * 0.0834% (0.79 1.0 1.00 0.02 0.79) = 0.083% HG LEU 90 - HG12 ILE 48 12.500% * 0.0410% (0.39 1.0 1.00 0.02 0.02) = 0.041% HB3 LYS+ 44 - HG12 ILE 48 12.500% * 0.0308% (0.29 1.0 1.00 0.02 0.02) = 0.031% QB ALA 70 - HG12 ILE 48 12.500% * 0.0278% (0.26 1.0 1.00 0.02 0.02) = 0.028% HG3 LYS+ 55 - HG12 ILE 48 12.500% * 0.0175% (0.17 1.0 1.00 0.02 0.02) = 0.017% 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): 13 chemical-shift based assignments, quality = 0.832, support = 3.62, residual support = 70.5: O HB VAL 47 - HA VAL 47 7.692% * 95.0835% (0.85 10.0 3.78 74.16) = 95.083% kept HB3 GLU- 75 - HA VAL 47 7.692% * 2.2632% (0.62 1.0 0.65 0.21) = 2.263% kept HG2 GLU- 45 - HA VAL 47 7.692% * 1.7855% (0.45 1.0 0.71 0.11) = 1.785% kept HG3 GLU- 64 - HA VAL 47 7.692% * 0.4135% (0.92 1.0 0.08 0.34) = 0.413% HB3 LYS+ 78 - HA VAL 47 7.692% * 0.1021% (0.91 1.0 0.02 0.02) = 0.102% HG2 GLU- 64 - HA VAL 47 7.692% * 0.0825% (0.74 1.0 0.02 0.34) = 0.082% HB2 ASP- 28 - HA VAL 47 7.692% * 0.0825% (0.74 1.0 0.02 0.02) = 0.082% HB3 PRO 35 - HA VAL 47 7.692% * 0.0506% (0.45 1.0 0.02 0.02) = 0.051% HG2 PRO 104 - HA VAL 47 7.692% * 0.0501% (0.45 1.0 0.02 0.02) = 0.050% HB VAL 105 - HA VAL 47 7.692% * 0.0318% (0.28 1.0 0.02 0.02) = 0.032% HA1 GLY 58 - HA VAL 47 7.692% * 0.0270% (0.24 1.0 0.02 0.02) = 0.027% HB VAL 87 - HA VAL 47 7.692% * 0.0139% (0.12 1.0 0.02 0.02) = 0.014% HG2 GLN 102 - HA VAL 47 7.692% * 0.0139% (0.12 1.0 0.02 0.66) = 0.014% Peak 3349 (0.94, 3.44, 66.58 ppm): 20 chemical-shift based assignments, quality = 0.766, support = 2.82, residual support = 24.9: O QG2 VAL 62 - HA VAL 62 5.000% * 94.2265% (0.79 10.0 2.96 26.40) = 94.227% kept QG2 ILE 29 - HA VAL 62 5.000% * 2.3473% (0.68 1.0 0.57 0.02) = 2.347% kept QG2 VAL 99 - HA VAL 62 5.000% * 1.8011% (0.35 1.0 0.86 1.02) = 1.801% kept QG2 VAL 73 - HA VAL 62 5.000% * 0.5476% (0.71 1.0 0.13 0.02) = 0.548% QG1 VAL 105 - HA VAL 62 5.000% * 0.1001% (0.84 1.0 0.02 0.02) = 0.100% QD1 LEU 17 - HA VAL 62 5.000% * 0.0985% (0.83 1.0 0.02 0.02) = 0.099% QG2 VAL 105 - HA VAL 62 5.000% * 0.0966% (0.81 1.0 0.02 0.02) = 0.097% HB2 ARG+ 84 - HA VAL 62 5.000% * 0.0942% (0.79 1.0 0.02 0.02) = 0.094% HG12 ILE 68 - HA VAL 62 5.000% * 0.0741% (0.62 1.0 0.02 0.02) = 0.074% QG1 VAL 105 - HA VAL 40 5.000% * 0.0683% (0.57 1.0 0.02 0.02) = 0.068% QD1 LEU 17 - HA VAL 40 5.000% * 0.0673% (0.56 1.0 0.02 0.02) = 0.067% QG2 VAL 105 - HA VAL 40 5.000% * 0.0659% (0.55 1.0 0.02 0.02) = 0.066% HB2 ARG+ 84 - HA VAL 40 5.000% * 0.0644% (0.54 1.0 0.02 0.12) = 0.064% QG2 VAL 62 - HA VAL 40 5.000% * 0.0644% (0.54 1.0 0.02 0.02) = 0.064% QG2 VAL 73 - HA VAL 40 5.000% * 0.0582% (0.49 1.0 0.02 0.02) = 0.058% QG2 ILE 29 - HA VAL 40 5.000% * 0.0558% (0.47 1.0 0.02 0.02) = 0.056% QG2 VAL 80 - HA VAL 62 5.000% * 0.0537% (0.45 1.0 0.02 0.02) = 0.054% HG12 ILE 68 - HA VAL 40 5.000% * 0.0506% (0.42 1.0 0.02 0.02) = 0.051% QG2 VAL 80 - HA VAL 40 5.000% * 0.0367% (0.31 1.0 0.02 0.02) = 0.037% QG2 VAL 99 - HA VAL 40 5.000% * 0.0287% (0.24 1.0 0.02 0.02) = 0.029% Peak 3350 (0.90, 0.89, 25.09 ppm): 1 diagonal assignment: 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): 5 chemical-shift based assignments, quality = 0.916, support = 2.65, residual support = 14.9: O HA SER 69 - HB3 SER 69 20.000% * 89.6455% (0.94 10.0 2.61 15.74) = 89.645% kept HA ILE 68 - HB3 SER 69 20.000% * 10.2057% (0.69 1.0 3.13 7.90) = 10.206% kept HA PRO 31 - HB3 SER 69 20.000% * 0.0719% (0.76 1.0 0.02 0.02) = 0.072% HA MET 97 - HB3 SER 69 20.000% * 0.0545% (0.57 1.0 0.02 0.02) = 0.054% HA ALA 33 - HB3 SER 69 20.000% * 0.0224% (0.24 1.0 0.02 0.02) = 0.022% Peak 3353 (8.81, 3.71, 65.41 ppm): 5 chemical-shift based assignments, quality = 0.365, support = 2.42, residual support = 15.2: O HN SER 69 - HB3 SER 69 20.000% * 96.7635% (0.35 10.0 2.49 15.74) = 96.764% kept HN ASN 57 - HB3 SER 69 20.000% * 2.8864% (0.76 1.0 0.28 0.02) = 2.886% kept HN LYS+ 32 - HB3 SER 69 20.000% * 0.1771% (0.65 1.0 0.02 0.02) = 0.177% HN LYS+ 60 - HB3 SER 69 20.000% * 0.1156% (0.42 1.0 0.02 0.02) = 0.116% HN THR 95 - HB3 SER 69 20.000% * 0.0574% (0.21 1.0 0.02 0.02) = 0.057% Peak 3354 (8.81, 3.54, 65.41 ppm): 4 chemical-shift based assignments, quality = 0.18, support = 2.27, residual support = 14.3: O HN SER 69 - HB2 SER 69 25.000% * 90.6337% (0.13 10.0 2.49 15.74) = 90.634% kept HN ASN 57 - HB2 SER 69 25.000% * 6.2085% (0.81 1.0 0.21 0.02) = 6.208% kept HN LYS+ 60 - HB2 SER 69 25.000% * 2.6022% (0.62 1.0 0.12 0.02) = 2.602% kept HN LYS+ 32 - HB2 SER 69 25.000% * 0.5557% (0.77 1.0 0.02 0.02) = 0.556% Peak 3355 (7.32, 3.43, 65.81 ppm): 7 chemical-shift based assignments, quality = 0.494, support = 4.15, residual support = 52.1: HN VAL 47 - HA ILE 48 14.286% * 37.9351% (0.68 1.0 4.75 22.57) = 37.935% kept O HN ILE 48 - HA ILE 48 14.286% * 32.7695% (0.14 10.0 6.16 131.63) = 32.769% kept QD PHE 34 - HA ILE 48 14.286% * 11.5834% (0.70 1.0 1.41 1.94) = 11.583% kept HN ARG+ 84 - HA ILE 48 14.286% * 9.7960% (0.67 1.0 1.25 1.16) = 9.796% kept QE PHE 34 - HA ILE 48 14.286% * 5.3086% (0.57 1.0 0.80 1.94) = 5.309% kept HZ2 TRP 51 - HA ILE 48 14.286% * 2.0773% (0.57 1.0 0.31 0.02) = 2.077% kept HZ PHE 34 - HA ILE 48 14.286% * 0.5300% (0.57 1.0 0.08 1.94) = 0.530% 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 = 0.842, support = 3.73, residual support = 25.8: O HN VAL 62 - HA VAL 62 12.500% * 97.5654% (0.86 10.0 3.82 26.40) = 97.565% kept HN GLU- 56 - HA VAL 62 12.500% * 1.0440% (0.62 1.0 0.30 0.02) = 1.044% kept HN PHE 34 - HA VAL 62 12.500% * 0.6472% (0.69 1.0 0.16 0.02) = 0.647% HN ILE 101 - HA VAL 40 12.500% * 0.5753% (0.25 1.0 0.41 0.69) = 0.575% HN ILE 101 - HA VAL 62 12.500% * 0.0747% (0.66 1.0 0.02 0.02) = 0.075% HN VAL 62 - HA VAL 40 12.500% * 0.0369% (0.32 1.0 0.02 0.02) = 0.037% HN PHE 34 - HA VAL 40 12.500% * 0.0299% (0.26 1.0 0.02 0.02) = 0.030% HN GLU- 56 - HA VAL 40 12.500% * 0.0267% (0.23 1.0 0.02 0.02) = 0.027% Peak 3358 (0.56, 1.63, 27.60 ppm): 2 chemical-shift based assignments, quality = 0.845, support = 4.57, residual support = 101.5: O T QD1 ILE 101 - HG12 ILE 101 50.000% * 88.1933% (0.94 10.0 10.00 4.97 114.85) = 88.193% kept T QD1 LEU 23 - HG12 ILE 101 50.000% * 11.8067% (0.17 1.0 10.00 1.52 1.57) = 11.807% kept Peak 3359 (8.01, 3.84, 64.57 ppm): 4 chemical-shift based assignments, quality = 0.0876, support = 0.02, residual support = 0.02: HN SER 27 - HB3 SER 88 25.000% * 44.5532% (0.10 0.02 0.02) = 44.553% kept HN SER 27 - HB3 SER 77 25.000% * 40.5155% (0.09 0.02 0.02) = 40.515% kept HN LEU 43 - HB3 SER 88 25.000% * 7.8200% (0.02 0.02 0.02) = 7.820% kept HN LEU 43 - HB3 SER 77 25.000% * 7.1113% (0.02 0.02 0.02) = 7.111% kept Not enough support, support cutoff is 0.30 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): 7 chemical-shift based assignments, quality = 0.188, support = 3.6, residual support = 71.2: O QG1 VAL 47 - QG2 VAL 47 14.286% * 96.0088% (0.19 10.0 3.73 74.16) = 96.009% kept QD1 LEU 67 - QG2 VAL 47 14.286% * 2.2692% (0.18 1.0 0.51 0.61) = 2.269% kept QG1 VAL 80 - QG2 VAL 47 14.286% * 1.4817% (0.20 1.0 0.29 0.02) = 1.482% kept QG2 VAL 87 - QG2 VAL 47 14.286% * 0.1013% (0.20 1.0 0.02 0.02) = 0.101% QG2 VAL 40 - QG2 VAL 47 14.286% * 0.1013% (0.20 1.0 0.02 0.02) = 0.101% QG2 VAL 80 - QG2 VAL 47 14.286% * 0.0212% (0.04 1.0 0.02 0.02) = 0.021% QG2 ILE 100 - QG2 VAL 47 14.286% * 0.0165% (0.03 1.0 0.02 0.02) = 0.017% Peak 3363 (2.14, 0.11, 22.78 ppm): 13 chemical-shift based assignments, quality = 0.151, support = 2.76, residual support = 52.3: O T HB VAL 47 - QG2 VAL 47 7.692% * 70.4644% (0.15 10.0 10.00 3.62 74.16) = 70.464% kept T HB3 GLU- 75 - QG2 VAL 47 7.692% * 22.8472% (0.15 1.0 10.00 0.64 0.21) = 22.847% kept HG2 GLU- 45 - QG2 VAL 47 7.692% * 4.1654% (0.15 1.0 1.00 1.18 0.11) = 4.165% kept HB3 PRO 35 - QG2 VAL 47 7.692% * 1.6544% (0.10 1.0 1.00 0.73 0.02) = 1.654% kept HG3 GLU- 64 - QG2 VAL 47 7.692% * 0.3865% (0.21 1.0 1.00 0.08 0.34) = 0.386% HA1 GLY 58 - QG2 VAL 47 7.692% * 0.1134% (0.05 1.0 1.00 0.09 0.02) = 0.113% HB2 ASP- 28 - QG2 VAL 47 7.692% * 0.0936% (0.20 1.0 1.00 0.02 0.02) = 0.094% HB3 LYS+ 78 - QG2 VAL 47 7.692% * 0.0842% (0.18 1.0 1.00 0.02 0.02) = 0.084% HG2 GLU- 64 - QG2 VAL 47 7.692% * 0.0727% (0.16 1.0 1.00 0.02 0.34) = 0.073% HB VAL 105 - QG2 VAL 47 7.692% * 0.0511% (0.11 1.0 1.00 0.02 0.02) = 0.051% HB VAL 87 - QG2 VAL 47 7.692% * 0.0270% (0.06 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 104 - QG2 VAL 47 7.692% * 0.0270% (0.06 1.0 1.00 0.02 0.02) = 0.027% HB3 LEU 43 - QG2 VAL 47 7.692% * 0.0131% (0.03 1.0 1.00 0.02 0.25) = 0.013% Peak 3364 (3.08, 0.11, 22.78 ppm): 3 chemical-shift based assignments, quality = 0.119, support = 3.21, residual support = 73.9: O T HA VAL 47 - QG2 VAL 47 33.333% * 99.6546% (0.12 10.0 10.00 3.22 74.16) = 99.655% kept HA1 GLY 58 - QG2 VAL 47 33.333% * 0.2794% (0.07 1.0 1.00 0.09 0.02) = 0.279% HB3 TRP 51 - QG2 VAL 47 33.333% * 0.0661% (0.08 1.0 1.00 0.02 2.08) = 0.066% Peak 3365 (3.52, 0.11, 22.78 ppm): 3 chemical-shift based assignments, quality = 0.167, support = 1.03, residual support = 2.88: HA LYS+ 44 - QG2 VAL 47 33.333% * 98.0363% (0.17 1.05 2.93) = 98.036% kept HA1 GLY 26 - QG2 VAL 47 33.333% * 1.5037% (0.14 0.02 0.02) = 1.504% kept HA1 GLY 30 - QG2 VAL 47 33.333% * 0.4600% (0.04 0.02 0.02) = 0.460% Not enough quality. Peak unassigned. Peak 3366 (6.87, 0.11, 22.78 ppm): 3 chemical-shift based assignments, quality = 0.135, support = 2.25, residual support = 9.63: QD PHE 21 - QG2 VAL 47 33.333% * 56.5509% (0.17 2.24 10.30) = 56.551% kept HZ PHE 21 - QG2 VAL 47 33.333% * 36.6846% (0.09 2.59 10.30) = 36.685% kept HD22 ASN 15 - QG2 VAL 47 33.333% * 6.7644% (0.08 0.57 0.36) = 6.764% kept Peak 3367 (7.33, 0.11, 22.78 ppm): 6 chemical-shift based assignments, quality = 0.189, support = 2.91, residual support = 30.9: HN VAL 47 - QG2 VAL 47 16.667% * 39.5348% (0.18 4.61 74.16) = 39.535% kept QD PHE 34 - QG2 VAL 47 16.667% * 20.8367% (0.19 2.28 2.89) = 20.837% kept QE PHE 34 - QG2 VAL 47 16.667% * 19.2828% (0.19 2.11 2.89) = 19.283% kept HZ PHE 34 - QG2 VAL 47 16.667% * 12.1288% (0.19 1.33 2.89) = 12.129% kept HZ2 TRP 51 - QG2 VAL 47 16.667% * 4.4596% (0.19 0.49 2.08) = 4.460% kept HN ARG+ 84 - QG2 VAL 47 16.667% * 3.7573% (0.18 0.46 0.02) = 3.757% kept Peak 3368 (7.06, 0.11, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.0852, support = 1.89, residual support = 9.78: T QE PHE 21 - QG2 VAL 47 50.000% * 94.6050% (0.08 10.00 1.97 10.30) = 94.605% kept QD TYR 83 - QG2 VAL 47 50.000% * 5.3950% (0.19 1.00 0.46 0.53) = 5.395% kept Peak 3369 (7.51, 0.11, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.118, support = 0.642, residual support = 1.32: HE3 TRP 51 - QG2 VAL 47 50.000% * 56.4843% (0.11 0.75 2.08) = 56.484% kept HN ASP- 82 - QG2 VAL 47 50.000% * 43.5157% (0.13 0.50 0.34) = 43.516% 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 = 0.802, support = 1.41, residual support = 9.62: QG2 ILE 29 - QD1 LEU 23 10.000% * 39.4098% (0.97 1.67 14.94) = 39.410% kept QG2 VAL 99 - QD1 LEU 23 10.000% * 30.2358% (0.65 1.91 12.21) = 30.236% kept QG2 VAL 105 - QD1 LEU 23 10.000% * 16.3990% (0.76 0.88 0.11) = 16.399% kept QD1 LEU 17 - QD1 LEU 23 10.000% * 5.0707% (0.80 0.26 0.19) = 5.071% kept QG1 VAL 105 - QD1 LEU 23 10.000% * 4.9792% (0.84 0.24 0.11) = 4.979% kept HB2 ARG+ 84 - QD1 LEU 23 10.000% * 2.5466% (0.73 0.14 0.02) = 2.547% kept QG2 VAL 62 - QD1 LEU 23 10.000% * 0.4896% (1.00 0.02 0.02) = 0.490% QG2 VAL 73 - QD1 LEU 23 10.000% * 0.4799% (0.98 0.02 0.02) = 0.480% HG12 ILE 68 - QD1 LEU 23 10.000% * 0.2383% (0.49 0.02 0.02) = 0.238% QG2 VAL 80 - QD1 LEU 23 10.000% * 0.1511% (0.31 0.02 0.02) = 0.151% Peak 3372 (1.64, 0.59, 22.78 ppm): 8 chemical-shift based assignments, quality = 0.801, support = 2.66, residual support = 68.0: O HG LEU 23 - QD1 LEU 23 12.500% * 56.2511% (0.84 10.0 1.00 3.52 119.42) = 56.251% kept T HG12 ILE 101 - QD1 LEU 23 12.500% * 38.9941% (0.76 1.0 10.00 1.52 1.57) = 38.994% kept HB3 ARG+ 22 - QD1 LEU 23 12.500% * 4.5985% (0.73 1.0 1.00 1.88 5.13) = 4.599% kept HB ILE 68 - QD1 LEU 23 12.500% * 0.0489% (0.73 1.0 1.00 0.02 0.02) = 0.049% HG LEU 43 - QD1 LEU 23 12.500% * 0.0489% (0.73 1.0 1.00 0.02 0.02) = 0.049% HG3 LYS+ 78 - QD1 LEU 23 12.500% * 0.0302% (0.45 1.0 1.00 0.02 0.02) = 0.030% HB3 LYS+ 66 - QD1 LEU 23 12.500% * 0.0150% (0.22 1.0 1.00 0.02 0.02) = 0.015% HB ILE 100 - QD1 LEU 23 12.500% * 0.0133% (0.20 1.0 1.00 0.02 2.06) = 0.013% Peak 3373 (1.91, 0.59, 22.78 ppm): 9 chemical-shift based assignments, quality = 0.721, support = 3.58, residual support = 74.2: O T HB2 LEU 23 - QD1 LEU 23 11.111% * 57.2177% (0.80 10.0 10.00 4.98 119.42) = 57.218% kept T HB ILE 29 - QD1 LEU 23 11.111% * 39.1057% (0.61 1.0 10.00 1.80 14.94) = 39.106% kept HB3 GLN 102 - QD1 LEU 23 11.111% * 1.9759% (0.99 1.0 1.00 0.56 0.92) = 1.976% kept HB3 GLN 16 - QD1 LEU 23 11.111% * 1.4593% (0.45 1.0 1.00 0.91 0.92) = 1.459% kept HD3 LYS+ 63 - QD1 LEU 23 11.111% * 0.0700% (0.98 1.0 1.00 0.02 0.48) = 0.070% HB3 GLU- 56 - QD1 LEU 23 11.111% * 0.0597% (0.84 1.0 1.00 0.02 0.02) = 0.060% HB3 ARG+ 53 - QD1 LEU 23 11.111% * 0.0597% (0.84 1.0 1.00 0.02 0.19) = 0.060% HG2 GLU- 18 - QD1 LEU 23 11.111% * 0.0320% (0.45 1.0 1.00 0.02 5.70) = 0.032% HB2 GLU- 10 - QD1 LEU 23 11.111% * 0.0199% (0.28 1.0 1.00 0.02 0.02) = 0.020% Peak 3374 (2.18, 0.59, 22.78 ppm): 12 chemical-shift based assignments, quality = 0.91, support = 2.16, residual support = 6.96: T HB VAL 99 - QD1 LEU 23 8.333% * 52.3160% (1.00 10.00 3.27 12.21) = 52.316% kept T HG2 GLN 102 - QD1 LEU 23 8.333% * 24.2773% (0.87 10.00 1.07 0.92) = 24.277% kept T HG2 GLN 16 - QD1 LEU 23 8.333% * 11.7365% (0.98 10.00 0.46 0.92) = 11.736% kept HB2 ASP- 82 - QD1 LEU 23 8.333% * 5.1982% (0.90 1.00 2.21 3.07) = 5.198% kept T HG3 GLN 16 - QD1 LEU 23 8.333% * 3.6417% (0.34 10.00 0.41 0.92) = 3.642% kept HA1 GLY 58 - QD1 LEU 23 8.333% * 1.0441% (0.32 1.00 1.25 4.84) = 1.044% kept HG3 GLU- 64 - QD1 LEU 23 8.333% * 0.5617% (0.88 1.00 0.24 0.02) = 0.562% HB3 PRO 104 - QD1 LEU 23 8.333% * 0.4070% (0.99 1.00 0.16 0.02) = 0.407% HB3 PRO 35 - QD1 LEU 23 8.333% * 0.3491% (0.66 1.00 0.20 0.02) = 0.349% HB3 GLU- 75 - QD1 LEU 23 8.333% * 0.2473% (0.30 1.00 0.31 1.32) = 0.247% HG2 PRO 104 - QD1 LEU 23 8.333% * 0.1688% (0.41 1.00 0.16 0.02) = 0.169% HG2 GLU- 64 - QD1 LEU 23 8.333% * 0.0523% (1.00 1.00 0.02 0.02) = 0.052% Peak 3375 (2.76, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.815, support = 1.16, residual support = 3.95: HA1 GLY 58 - QD1 LEU 23 50.000% * 65.8675% (0.92 1.25 4.84) = 65.867% kept HE3 LYS+ 20 - QD1 LEU 23 50.000% * 34.1325% (0.61 0.98 2.23) = 34.133% kept Peak 3376 (4.79, 0.59, 22.78 ppm): 3 chemical-shift based assignments, quality = 0.793, support = 5.13, residual support = 116.4: HA LEU 23 - QD1 LEU 23 33.333% * 97.4327% (0.80 5.26 119.42) = 97.433% kept HA ASN 15 - QD1 LEU 23 33.333% * 1.8178% (0.69 0.11 0.02) = 1.818% kept HB THR 39 - QD1 LEU 23 33.333% * 0.7495% (0.34 0.09 0.02) = 0.749% Peak 3377 (6.72, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.511, support = 2.74, residual support = 21.9: HZ3 TRP 51 - QD1 LEU 23 50.000% * 64.9974% (0.38 3.69 33.19) = 64.997% kept QE TYR 83 - QD1 LEU 23 50.000% * 35.0026% (0.76 0.98 0.90) = 35.003% kept Peak 3378 (7.19, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.85, support = 3.9, residual support = 33.2: HH2 TRP 51 - QD1 LEU 23 50.000% * 77.0599% (0.95 4.36 33.19) = 77.060% kept HN TRP 51 - QD1 LEU 23 50.000% * 22.9401% (0.53 2.34 33.19) = 22.940% kept Peak 3379 (2.93, 0.59, 22.78 ppm): 5 chemical-shift based assignments, quality = 0.598, support = 2.0, residual support = 3.24: HB2 HIS+ 98 - QD1 LEU 23 20.000% * 51.1485% (0.57 3.05 4.09) = 51.148% kept HA1 GLY 58 - QD1 LEU 23 20.000% * 23.1684% (0.63 1.25 4.84) = 23.168% kept HE3 LYS+ 60 - QD1 LEU 23 20.000% * 12.6619% (0.97 0.44 0.12) = 12.662% kept HE3 LYS+ 81 - QD1 LEU 23 20.000% * 7.2498% (0.34 0.72 0.14) = 7.250% kept HB3 ASN 57 - QD1 LEU 23 20.000% * 5.7715% (0.28 0.70 0.02) = 5.771% kept Peak 3380 (7.35, 0.59, 22.78 ppm): 5 chemical-shift based assignments, quality = 0.521, support = 1.98, residual support = 19.8: HZ2 TRP 51 - QD1 LEU 23 20.000% * 59.3021% (0.53 2.87 33.19) = 59.302% kept QE PHE 34 - QD1 LEU 23 20.000% * 18.8262% (0.53 0.91 0.16) = 18.826% kept HE22 GLN 102 - QD1 LEU 23 20.000% * 11.4285% (0.61 0.48 0.92) = 11.428% kept HZ PHE 34 - QD1 LEU 23 20.000% * 6.5824% (0.53 0.32 0.16) = 6.582% kept QD PHE 34 - QD1 LEU 23 20.000% * 3.8608% (0.15 0.64 0.16) = 3.861% kept Peak 3381 (7.51, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.665, support = 1.83, residual support = 25.5: HE3 TRP 51 - QD1 LEU 23 50.000% * 74.5033% (0.76 1.98 33.19) = 74.503% kept HN ASP- 82 - QD1 LEU 23 50.000% * 25.4967% (0.38 1.38 3.07) = 25.497% kept Peak 3382 (9.31, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.686, support = 4.24, residual support = 68.5: HN LEU 23 - QD1 LEU 23 50.000% * 51.3010% (0.49 5.56 119.42) = 51.301% kept HN ILE 29 - QD1 LEU 23 50.000% * 48.6990% (0.90 2.86 14.94) = 48.699% kept Peak 3383 (7.56, 0.73, 23.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3384 (7.33, 0.73, 23.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3385 (7.91, 0.73, 23.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3386 (8.24, 0.73, 23.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3387 (1.64, 0.73, 23.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3388 (1.59, 0.85, 23.55 ppm): 7 chemical-shift based assignments, quality = 0.156, support = 0.347, residual support = 0.522: HB ILE 19 - QD2 LEU 90 14.286% * 35.6003% (0.11 1.00 0.60 0.80) = 35.600% kept HD3 LYS+ 32 - QD2 LEU 90 14.286% * 31.9799% (0.18 1.00 0.33 0.45) = 31.980% kept HB3 LYS+ 32 - QD2 LEU 90 14.286% * 16.3785% (0.25 1.00 0.12 0.45) = 16.379% kept T HG LEU 17 - QD2 LEU 90 14.286% * 10.8417% (0.10 10.00 0.02 0.19) = 10.842% kept HD3 LYS+ 60 - QD2 LEU 90 14.286% * 4.0595% (0.09 1.00 0.09 0.02) = 4.059% kept HD3 LYS+ 81 - QD2 LEU 90 14.286% * 0.7332% (0.07 1.00 0.02 0.02) = 0.733% HG3 LYS+ 78 - QD2 LEU 90 14.286% * 0.4069% (0.04 1.00 0.02 0.02) = 0.407% Not enough quality. Peak unassigned. Peak 3389 (0.85, 0.85, 23.55 ppm): 7 chemical-shift based assignments, quality = 0.149, support = 0.634, residual support = 4.81: O QD1 LEU 90 - QD2 LEU 90 14.286% * 50.1652% (0.13 10.0 1.00 1.00 9.55) = 50.165% kept T QG2 VAL 13 - QD2 LEU 90 14.286% * 17.6591% (0.25 1.0 10.00 0.19 0.02) = 17.659% kept T QG1 VAL 13 - QD2 LEU 90 14.286% * 16.7932% (0.14 1.0 10.00 0.31 0.02) = 16.793% kept T QD2 LEU 17 - QD2 LEU 90 14.286% * 7.4081% (0.04 1.0 10.00 0.50 0.19) = 7.408% kept T QD1 ILE 29 - QD2 LEU 90 14.286% * 7.2931% (0.14 1.0 10.00 0.14 0.02) = 7.293% kept T QG1 VAL 94 - QD2 LEU 90 14.286% * 0.5886% (0.08 1.0 10.00 0.02 0.02) = 0.589% QG2 ILE 100 - QD2 LEU 90 14.286% * 0.0928% (0.12 1.0 1.00 0.02 0.02) = 0.093% Peak 3390 (3.81, 0.85, 23.55 ppm): 3 chemical-shift based assignments, quality = 0.2, support = 0.063, residual support = 0.0954: HA2 GLY 92 - QD2 LEU 90 33.333% * 61.9196% (0.17 0.09 0.14) = 61.920% kept HB3 SER 41 - QD2 LEU 90 33.333% * 19.4632% (0.25 0.02 0.02) = 19.463% kept HD3 PRO 86 - QD2 LEU 90 33.333% * 18.6171% (0.23 0.02 0.02) = 18.617% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3391 (0.58, 0.29, 23.82 ppm): 3 chemical-shift based assignments, quality = 0.92, support = 4.54, residual support = 119.4: O T QD1 LEU 23 - QD2 LEU 23 33.333% * 99.9638% (0.92 10.0 10.00 4.54 119.42) = 99.964% kept QD1 ILE 101 - QD2 LEU 23 33.333% * 0.0202% (0.19 1.0 1.00 0.02 1.57) = 0.020% QG2 ILE 48 - QD2 LEU 23 33.333% * 0.0160% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 3392 (2.17, 0.29, 23.82 ppm): 13 chemical-shift based assignments, quality = 0.745, support = 1.41, residual support = 4.13: HB2 ASP- 82 - QD2 LEU 23 7.692% * 34.3793% (0.86 1.94 3.07) = 34.379% kept HG2 GLN 102 - QD2 LEU 23 7.692% * 22.7125% (0.88 1.25 0.92) = 22.713% kept HB VAL 99 - QD2 LEU 23 7.692% * 19.1135% (0.68 1.37 12.21) = 19.114% kept HA1 GLY 58 - QD2 LEU 23 7.692% * 9.4695% (0.28 1.65 4.84) = 9.469% kept HG2 GLN 16 - QD2 LEU 23 7.692% * 4.5846% (0.75 0.30 0.92) = 4.585% kept HG2 GLU- 64 - QD2 LEU 23 7.692% * 4.5121% (0.90 0.24 0.02) = 4.512% kept HB3 GLU- 75 - QD2 LEU 23 7.692% * 2.6021% (0.39 0.32 1.32) = 2.602% kept HB3 PRO 35 - QD2 LEU 23 7.692% * 1.3348% (0.56 0.12 0.02) = 1.335% kept HG3 GLU- 64 - QD2 LEU 23 7.692% * 0.3640% (0.89 0.02 0.02) = 0.364% HG2 PRO 104 - QD2 LEU 23 7.692% * 0.3440% (0.84 0.02 0.02) = 0.344% HB3 PRO 104 - QD2 LEU 23 7.692% * 0.2932% (0.71 0.02 0.02) = 0.293% HB VAL 47 - QD2 LEU 23 7.692% * 0.1720% (0.42 0.02 0.02) = 0.172% HB3 LYS+ 78 - QD2 LEU 23 7.692% * 0.1184% (0.29 0.02 0.02) = 0.118% Peak 3393 (2.76, 0.29, 23.82 ppm): 2 chemical-shift based assignments, quality = 0.59, support = 1.01, residual support = 2.94: T HE3 LYS+ 20 - QD2 LEU 23 50.000% * 72.9050% (0.49 10.00 0.78 2.23) = 72.905% kept HA1 GLY 58 - QD2 LEU 23 50.000% * 27.0950% (0.86 1.00 1.65 4.84) = 27.095% kept Peak 3394 (2.91, 0.29, 23.82 ppm): 5 chemical-shift based assignments, quality = 0.753, support = 1.38, residual support = 3.47: HB2 HIS+ 98 - QD2 LEU 23 20.000% * 45.2402% (0.86 1.64 4.09) = 45.240% kept HA1 GLY 58 - QD2 LEU 23 20.000% * 33.0680% (0.63 1.65 4.84) = 33.068% kept HE3 LYS+ 60 - QD2 LEU 23 20.000% * 9.5163% (0.45 0.66 0.12) = 9.516% kept HB3 ASN 57 - QD2 LEU 23 20.000% * 6.1791% (0.92 0.21 0.02) = 6.179% kept HE3 LYS+ 81 - QD2 LEU 23 20.000% * 5.9964% (0.93 0.20 0.14) = 5.996% kept Peak 3395 (3.26, 0.29, 23.82 ppm): 2 chemical-shift based assignments, quality = 0.249, support = 0.66, residual support = 0.367: HE3 LYS+ 63 - QD2 LEU 23 50.000% * 61.0805% (0.26 0.74 0.48) = 61.080% kept HD3 ARG+ 53 - QD2 LEU 23 50.000% * 38.9195% (0.23 0.53 0.19) = 38.920% kept Peak 3396 (3.72, 0.29, 23.82 ppm): 5 chemical-shift based assignments, quality = 0.5, support = 1.65, residual support = 28.7: HB2 TRP 51 - QD2 LEU 23 20.000% * 86.4032% (0.49 1.89 33.19) = 86.403% kept HA LYS+ 81 - QD2 LEU 23 20.000% * 11.2573% (0.57 0.21 0.14) = 11.257% kept HB3 SER 69 - QD2 LEU 23 20.000% * 1.5101% (0.81 0.02 0.02) = 1.510% kept HA LEU 43 - QD2 LEU 23 20.000% * 0.5938% (0.32 0.02 0.02) = 0.594% HD3 PRO 104 - QD2 LEU 23 20.000% * 0.2356% (0.13 0.02 0.02) = 0.236% Peak 3397 (3.85, 0.29, 23.82 ppm): 7 chemical-shift based assignments, quality = 0.472, support = 0.0666, residual support = 0.0316: HB2 SER 85 - QD2 LEU 23 14.286% * 41.8201% (0.60 0.08 0.02) = 41.820% kept HD3 PRO 86 - QD2 LEU 23 14.286% * 19.1815% (0.16 0.13 0.02) = 19.181% kept HB3 SER 88 - QD2 LEU 23 14.286% * 11.2312% (0.64 0.02 0.02) = 11.231% kept HB3 SER 77 - QD2 LEU 23 14.286% * 9.9170% (0.57 0.02 0.02) = 9.917% kept HA2 GLY 92 - QD2 LEU 23 14.286% * 6.1365% (0.35 0.02 0.02) = 6.136% kept HB3 SER 27 - QD2 LEU 23 14.286% * 6.1365% (0.35 0.02 0.21) = 6.136% kept HA GLU- 45 - QD2 LEU 23 14.286% * 5.5773% (0.32 0.02 0.02) = 5.577% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3398 (4.35, 0.29, 23.82 ppm): 4 chemical-shift based assignments, quality = 0.256, support = 1.31, residual support = 24.2: HA TRP 51 - QD2 LEU 23 25.000% * 72.9403% (0.21 1.74 33.19) = 72.940% kept HA2 GLY 26 - QD2 LEU 23 25.000% * 13.4973% (0.49 0.14 0.02) = 13.497% kept HA LYS+ 60 - QD2 LEU 23 25.000% * 6.7891% (0.18 0.18 0.12) = 6.789% kept HB THR 61 - QD2 LEU 23 25.000% * 6.7733% (0.38 0.09 0.02) = 6.773% kept Peak 3399 (7.33, 0.29, 23.82 ppm): 6 chemical-shift based assignments, quality = 0.879, support = 2.45, residual support = 20.9: HZ2 TRP 51 - QD2 LEU 23 16.667% * 62.7816% (0.93 3.46 33.19) = 62.782% kept HZ PHE 34 - QD2 LEU 23 16.667% * 16.5313% (0.93 0.91 0.16) = 16.531% kept HN ARG+ 84 - QD2 LEU 23 16.667% * 9.8614% (0.56 0.90 0.02) = 9.861% kept QE PHE 34 - QD2 LEU 23 16.667% * 5.7800% (0.93 0.32 0.16) = 5.780% kept QD PHE 34 - QD2 LEU 23 16.667% * 4.8112% (0.67 0.37 0.16) = 4.811% kept HN VAL 47 - QD2 LEU 23 16.667% * 0.2345% (0.60 0.02 0.02) = 0.235% Peak 3400 (7.20, 0.29, 23.82 ppm): 2 chemical-shift based assignments, quality = 0.825, support = 3.91, residual support = 33.2: HH2 TRP 51 - QD2 LEU 23 50.000% * 69.9929% (0.92 4.36 33.19) = 69.993% kept HN TRP 51 - QD2 LEU 23 50.000% * 30.0071% (0.60 2.86 33.19) = 30.007% kept Peak 3401 (6.74, 0.29, 23.82 ppm): 2 chemical-shift based assignments, quality = 0.879, support = 2.52, residual support = 26.0: HZ3 TRP 51 - QD2 LEU 23 50.000% * 77.6659% (0.88 2.99 33.19) = 77.666% kept QE TYR 83 - QD2 LEU 23 50.000% * 22.3341% (0.88 0.86 0.90) = 22.334% kept Peak 3402 (3.70, 3.71, 65.41 ppm): 1 diagonal assignment: HB3 SER 69 - HB3 SER 69 (0.65) kept Peak 3404 (2.22, 3.71, 65.41 ppm): 14 chemical-shift based assignments, quality = 0.754, support = 0.351, residual support = 0.136: HG3 GLN 102 - HB3 SER 69 7.143% * 37.3319% (0.94 0.40 0.33) = 37.332% kept HG3 MET 97 - HB3 SER 69 7.143% * 31.2288% (0.79 0.40 0.02) = 31.229% kept HA1 GLY 58 - HB3 SER 69 7.143% * 16.8889% (0.37 0.46 0.02) = 16.889% kept HB3 PRO 52 - HB3 SER 69 7.143% * 1.8547% (0.93 0.02 0.02) = 1.855% kept HG3 GLU- 18 - HB3 SER 69 7.143% * 1.8261% (0.91 0.02 0.02) = 1.826% kept HB2 GLU- 50 - HB3 SER 69 7.143% * 1.7467% (0.87 0.02 0.02) = 1.747% kept HG2 GLU- 64 - HB3 SER 69 7.143% * 1.6193% (0.81 0.02 0.02) = 1.619% kept HB3 PRO 35 - HB3 SER 69 7.143% * 1.5734% (0.79 0.02 0.02) = 1.573% kept HG3 GLU- 56 - HB3 SER 69 7.143% * 1.2241% (0.61 0.02 0.02) = 1.224% kept HG3 GLU- 10 - HB3 SER 69 7.143% * 1.0713% (0.54 0.02 0.02) = 1.071% kept HG3 GLU- 64 - HB3 SER 69 7.143% * 1.0132% (0.51 0.02 0.02) = 1.013% kept HG2 GLU- 56 - HB3 SER 69 7.143% * 0.9955% (0.50 0.02 0.02) = 0.996% HG3 GLN 16 - HB3 SER 69 7.143% * 0.8483% (0.42 0.02 0.02) = 0.848% HB3 ASN 15 - HB3 SER 69 7.143% * 0.7779% (0.39 0.02 0.02) = 0.778% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 3405 (1.67, 3.71, 65.41 ppm): 8 chemical-shift based assignments, quality = 0.868, support = 0.652, residual support = 0.722: T HB3 LYS+ 81 - HB3 SER 69 12.500% * 89.4837% (0.87 10.00 0.69 0.80) = 89.484% kept HG3 ARG+ 84 - HB3 SER 69 12.500% * 4.9941% (0.89 1.00 0.38 0.12) = 4.994% kept HB ILE 100 - HB3 SER 69 12.500% * 4.5501% (0.93 1.00 0.33 0.02) = 4.550% kept HB3 MET 97 - HB3 SER 69 12.500% * 0.2805% (0.95 1.00 0.02 0.02) = 0.280% HB3 LYS+ 66 - HB3 SER 69 12.500% * 0.2707% (0.91 1.00 0.02 0.02) = 0.271% HD3 LYS+ 55 - HB3 SER 69 12.500% * 0.1588% (0.54 1.00 0.02 0.02) = 0.159% HB3 ARG+ 22 - HB3 SER 69 12.500% * 0.1365% (0.46 1.00 0.02 0.02) = 0.137% HG13 ILE 19 - HB3 SER 69 12.500% * 0.1257% (0.42 1.00 0.02 0.02) = 0.126% Peak 3406 (0.86, 3.71, 65.41 ppm): 5 chemical-shift based assignments, quality = 0.729, support = 0.521, residual support = 0.0197: QG2 VAL 13 - HB3 SER 69 20.000% * 54.9728% (0.72 0.61 0.02) = 54.973% kept QG2 ILE 100 - HB3 SER 69 20.000% * 41.7528% (0.76 0.44 0.02) = 41.753% kept QD1 LEU 90 - HB3 SER 69 20.000% * 1.9657% (0.79 0.02 0.02) = 1.966% kept QG1 VAL 13 - HB3 SER 69 20.000% * 0.6543% (0.26 0.02 0.02) = 0.654% QD1 ILE 29 - HB3 SER 69 20.000% * 0.6543% (0.26 0.02 0.02) = 0.654% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 3407 (0.46, 3.71, 65.41 ppm): 2 chemical-shift based assignments, quality = 0.775, support = 3.41, residual support = 24.0: T QD2 LEU 74 - HB3 SER 69 50.000% * 73.4609% (0.93 10.00 3.97 31.90) = 73.461% kept T QD2 LEU 43 - HB3 SER 69 50.000% * 26.5391% (0.35 10.00 1.89 1.96) = 26.539% kept Peak 3408 (-0.04, 3.71, 65.41 ppm): 1 chemical-shift based assignment, quality = 0.82, support = 3.46, residual support = 31.9: T QD1 LEU 74 - HB3 SER 69 100.000% *100.0000% (0.82 10.00 3.46 31.90) = 100.000% kept Peak 3409 (2.22, 3.54, 65.47 ppm): 14 chemical-shift based assignments, quality = 0.633, support = 0.427, residual support = 0.201: HG3 GLN 102 - HB2 SER 69 7.143% * 57.7638% (0.78 0.52 0.33) = 57.764% kept HA1 GLY 58 - HB2 SER 69 7.143% * 23.1992% (0.30 0.53 0.02) = 23.199% kept HB3 PRO 52 - HB2 SER 69 7.143% * 2.1888% (0.77 0.02 0.02) = 2.189% kept HG3 GLU- 18 - HB2 SER 69 7.143% * 2.1550% (0.76 0.02 0.02) = 2.155% kept HB2 GLU- 50 - HB2 SER 69 7.143% * 2.0614% (0.72 0.02 0.02) = 2.061% kept HG2 GLU- 64 - HB2 SER 69 7.143% * 1.9110% (0.67 0.02 0.02) = 1.911% kept HG3 MET 97 - HB2 SER 69 7.143% * 1.8652% (0.65 0.02 0.02) = 1.865% kept HB3 PRO 35 - HB2 SER 69 7.143% * 1.8569% (0.65 0.02 0.02) = 1.857% kept HG3 GLU- 56 - HB2 SER 69 7.143% * 1.4446% (0.51 0.02 0.02) = 1.445% kept HG3 GLU- 10 - HB2 SER 69 7.143% * 1.2643% (0.44 0.02 0.02) = 1.264% kept HG3 GLU- 64 - HB2 SER 69 7.143% * 1.1958% (0.42 0.02 0.02) = 1.196% kept HG2 GLU- 56 - HB2 SER 69 7.143% * 1.1749% (0.41 0.02 0.02) = 1.175% kept HG3 GLN 16 - HB2 SER 69 7.143% * 1.0011% (0.35 0.02 0.02) = 1.001% kept HB3 ASN 15 - HB2 SER 69 7.143% * 0.9180% (0.32 0.02 0.02) = 0.918% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 3410 (1.67, 3.54, 65.47 ppm): 8 chemical-shift based assignments, quality = 0.714, support = 0.425, residual support = 0.301: HB3 LYS+ 81 - HB2 SER 69 12.500% * 33.7395% (0.78 0.53 0.80) = 33.739% kept HB3 MET 97 - HB2 SER 69 12.500% * 27.9844% (0.70 0.49 0.02) = 27.984% kept HG3 ARG+ 84 - HB2 SER 69 12.500% * 18.8086% (0.78 0.30 0.12) = 18.809% kept HB ILE 100 - HB2 SER 69 12.500% * 16.1928% (0.63 0.32 0.02) = 16.193% kept HD3 LYS+ 55 - HB2 SER 69 12.500% * 1.0622% (0.65 0.02 0.02) = 1.062% kept HB3 LYS+ 66 - HB2 SER 69 12.500% * 0.9719% (0.60 0.02 0.02) = 0.972% HG13 ILE 19 - HB2 SER 69 12.500% * 0.9235% (0.57 0.02 0.02) = 0.923% HB3 ARG+ 22 - HB2 SER 69 12.500% * 0.3171% (0.20 0.02 0.02) = 0.317% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 3411 (0.45, 3.54, 65.47 ppm): 2 chemical-shift based assignments, quality = 0.599, support = 3.77, residual support = 30.2: QD2 LEU 74 - HB2 SER 69 50.000% * 94.3572% (0.63 3.93 31.90) = 94.357% kept QD2 LEU 43 - HB2 SER 69 50.000% * 5.6428% (0.14 1.08 1.96) = 5.643% kept Peak 3412 (-0.03, 3.54, 65.47 ppm): 1 chemical-shift based assignment, quality = 0.781, support = 3.24, residual support = 31.9: T QD1 LEU 74 - HB2 SER 69 100.000% *100.0000% (0.78 10.00 3.24 31.90) = 100.000% kept Peak 3413 (0.91, 3.43, 65.93 ppm): 11 chemical-shift based assignments, quality = 0.285, support = 3.65, residual support = 20.0: QG1 VAL 47 - HA ILE 48 9.091% * 88.2225% (0.29 4.11 22.57) = 88.223% kept QD1 LEU 67 - HA ILE 48 9.091% * 7.3775% (0.31 0.32 0.79) = 7.378% kept HG12 ILE 68 - HA ILE 48 9.091% * 1.7748% (0.20 0.12 0.02) = 1.775% kept QG1 VAL 80 - HA ILE 48 9.091% * 0.8409% (0.14 0.08 0.02) = 0.841% QG2 VAL 80 - HA ILE 48 9.091% * 0.3930% (0.27 0.02 0.02) = 0.393% QG2 VAL 87 - HA ILE 48 9.091% * 0.3930% (0.27 0.02 0.02) = 0.393% QG2 VAL 40 - HA ILE 48 9.091% * 0.3930% (0.27 0.02 0.19) = 0.393% HB2 ARG+ 84 - HA ILE 48 9.091% * 0.1754% (0.12 0.02 1.16) = 0.175% QG2 VAL 105 - HA ILE 48 9.091% * 0.1587% (0.11 0.02 0.02) = 0.159% QD1 LEU 17 - HA ILE 48 9.091% * 0.1430% (0.10 0.02 0.02) = 0.143% QG1 VAL 105 - HA ILE 48 9.091% * 0.1282% (0.09 0.02 0.02) = 0.128% Peak 3414 (0.39, 3.43, 65.93 ppm): 2 chemical-shift based assignments, quality = 0.344, support = 5.36, residual support = 131.6: T QD1 ILE 48 - HA ILE 48 50.000% * 50.0000% (0.34 1.0 10.00 5.95 131.63) = 50.000% kept O HG12 ILE 48 - HA ILE 48 50.000% * 50.0000% (0.34 10.0 1.00 4.78 131.63) = 50.000% kept Peak 3415 (1.73, 3.43, 65.83 ppm): 4 chemical-shift based assignments, quality = 0.413, support = 6.09, residual support = 127.8: O T HB ILE 48 - HA ILE 48 25.000% * 97.0687% (0.42 10.0 10.00 6.25 131.63) = 97.069% kept HB3 LEU 23 - HA ILE 48 25.000% * 2.7880% (0.32 1.0 1.00 0.75 0.02) = 2.788% kept HB2 GLN 16 - HA ILE 48 25.000% * 0.1080% (0.46 1.0 1.00 0.02 0.02) = 0.108% HB2 LEU 17 - HA ILE 48 25.000% * 0.0352% (0.15 1.0 1.00 0.02 0.02) = 0.035% Peak 3416 (7.34, 1.13, 24.84 ppm): 6 chemical-shift based assignments, quality = 0.866, support = 3.09, residual support = 18.5: HZ PHE 34 - HG3 LYS+ 32 16.667% * 35.9427% (0.94 3.97 22.26) = 35.943% kept QE PHE 34 - HG3 LYS+ 32 16.667% * 27.6052% (0.94 3.05 22.26) = 27.605% kept QD PHE 34 - HG3 LYS+ 32 16.667% * 18.5714% (0.62 3.14 22.26) = 18.571% kept HZ2 TRP 51 - HG3 LYS+ 32 16.667% * 13.8930% (0.94 1.53 1.63) = 13.893% kept HN VAL 47 - HG3 LYS+ 32 16.667% * 3.8916% (0.54 0.75 0.02) = 3.892% kept HN ARG+ 84 - HG3 LYS+ 32 16.667% * 0.0961% (0.50 0.02 0.02) = 0.096% Peak 3417 (8.23, 1.13, 24.84 ppm): 11 chemical-shift based assignments, quality = 0.855, support = 0.686, residual support = 0.555: HN LYS+ 81 - HG3 LYS+ 32 9.091% * 65.4542% (0.92 0.93 0.82) = 65.454% kept HN SER 49 - HG3 LYS+ 32 9.091% * 18.9829% (0.93 0.27 0.02) = 18.983% kept HN GLU- 12 - HG3 LYS+ 32 9.091% * 4.9818% (0.85 0.08 0.02) = 4.982% kept HN GLN 16 - HG3 LYS+ 32 9.091% * 4.7073% (0.15 0.42 0.22) = 4.707% kept HN GLY 58 - HG3 LYS+ 32 9.091% * 1.4495% (0.95 0.02 0.02) = 1.450% kept HN LEU 67 - HG3 LYS+ 32 9.091% * 1.4020% (0.92 0.02 0.02) = 1.402% kept HN VAL 94 - HG3 LYS+ 32 9.091% * 0.7643% (0.50 0.02 0.02) = 0.764% HN VAL 105 - HG3 LYS+ 32 9.091% * 0.7071% (0.46 0.02 0.02) = 0.707% HN THR 106 - HG3 LYS+ 32 9.091% * 0.6513% (0.43 0.02 0.02) = 0.651% HN ALA 11 - HG3 LYS+ 32 9.091% * 0.4955% (0.32 0.02 0.02) = 0.496% HN GLU- 45 - HG3 LYS+ 32 9.091% * 0.4039% (0.26 0.02 0.02) = 0.404% Peak 3418 (7.97, 1.48, 24.80 ppm): 4 chemical-shift based assignments, quality = 0.147, support = 4.65, residual support = 33.2: HN LYS+ 72 - HG3 LYS+ 72 25.000% * 95.4305% (0.15 4.86 34.74) = 95.431% kept HN LEU 43 - HG3 LYS+ 60 25.000% * 3.9408% (0.10 0.31 0.13) = 3.941% kept HN LEU 43 - HG3 LYS+ 72 25.000% * 0.3240% (0.12 0.02 0.02) = 0.324% HN LYS+ 72 - HG3 LYS+ 60 25.000% * 0.3047% (0.12 0.02 0.02) = 0.305% Peak 3419 (8.14, 0.90, 24.44 ppm): 4 chemical-shift based assignments, quality = 0.0851, support = 3.89, residual support = 13.8: HN SER 41 - QG2 VAL 40 25.000% * 85.3402% (0.07 4.50 16.16) = 85.340% kept HN SER 88 - QG2 VAL 40 25.000% * 12.4134% (0.13 0.38 0.02) = 12.413% kept HN SER 77 - QG2 VAL 40 25.000% * 1.2388% (0.25 0.02 0.02) = 1.239% kept HN GLY 26 - QG2 VAL 40 25.000% * 1.0075% (0.20 0.02 0.02) = 1.008% kept Peak 3420 (7.60, 0.90, 24.44 ppm): 4 chemical-shift based assignments, quality = 0.231, support = 0.0554, residual support = 0.02: HN LYS+ 78 - QG2 VAL 40 25.000% * 50.9465% (0.18 0.09 0.02) = 50.947% kept HN ASP- 25 - QG2 VAL 40 25.000% * 21.6026% (0.35 0.02 0.02) = 21.603% kept HD21 ASN 15 - QG2 VAL 40 25.000% * 15.1387% (0.25 0.02 0.02) = 15.139% kept HD21 ASN 57 - QG2 VAL 40 25.000% * 12.3122% (0.20 0.02 0.02) = 12.312% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3421 (7.07, 0.90, 24.44 ppm): 2 chemical-shift based assignments, quality = 0.259, support = 1.37, residual support = 2.36: T QD TYR 83 - QG2 VAL 40 50.000% * 99.6308% (0.26 10.00 1.38 2.36) = 99.631% kept T QE PHE 21 - QG2 VAL 40 50.000% * 0.3692% (0.07 10.00 0.02 0.02) = 0.369% Peak 3422 (3.17, 0.82, 25.69 ppm): 5 chemical-shift based assignments, quality = 0.777, support = 0.487, residual support = 1.05: HD3 ARG+ 84 - QD2 LEU 17 20.000% * 71.6689% (0.98 0.50 1.35) = 71.669% kept HA1 GLY 58 - QD2 LEU 17 20.000% * 17.9311% (0.20 0.60 0.02) = 17.931% kept HB3 HIS+ 98 - QD2 LEU 17 20.000% * 6.8341% (0.18 0.27 0.88) = 6.834% kept HB3 PHE 34 - QD2 LEU 17 20.000% * 2.7558% (0.95 0.02 0.64) = 2.756% kept HD2 ARG+ 53 - QD2 LEU 17 20.000% * 0.8100% (0.28 0.02 0.02) = 0.810% Peak 3423 (3.98, 0.82, 25.69 ppm): 3 chemical-shift based assignments, quality = 0.637, support = 0.439, residual support = 0.631: HB THR 95 - QD2 LEU 17 33.333% * 52.4653% (0.38 0.64 1.08) = 52.465% kept HA1 GLY 92 - QD2 LEU 17 33.333% * 46.5589% (0.95 0.22 0.14) = 46.559% kept HA THR 38 - QD2 LEU 17 33.333% * 0.9758% (0.22 0.02 0.02) = 0.976% Peak 3424 (4.29, 0.82, 25.69 ppm): 11 chemical-shift based assignments, quality = 0.626, support = 1.22, residual support = 4.22: HA ILE 29 - QD2 LEU 17 9.091% * 25.8587% (0.61 1.92 11.28) = 25.859% kept HA LEU 90 - QD2 LEU 17 9.091% * 20.2855% (0.69 1.33 0.19) = 20.285% kept HA ASP- 36 - QD2 LEU 17 9.091% * 14.8454% (0.99 0.67 0.25) = 14.845% kept HA VAL 94 - QD2 LEU 17 9.091% * 12.1446% (0.41 1.33 8.81) = 12.145% kept HA ARG+ 84 - QD2 LEU 17 9.091% * 9.0593% (0.38 1.09 1.35) = 9.059% kept HA ALA 93 - QD2 LEU 17 9.091% * 7.9946% (0.41 0.87 0.22) = 7.995% kept HA THR 106 - QD2 LEU 17 9.091% * 5.2928% (0.95 0.25 0.02) = 5.293% kept HA SER 85 - QD2 LEU 17 9.091% * 2.9221% (0.38 0.35 0.54) = 2.922% kept HA PRO 52 - QD2 LEU 17 9.091% * 1.2927% (0.38 0.15 0.02) = 1.293% kept HD3 PRO 59 - QD2 LEU 17 9.091% * 0.1669% (0.38 0.02 0.02) = 0.167% HA VAL 65 - QD2 LEU 17 9.091% * 0.1373% (0.31 0.02 0.02) = 0.137% Peak 3425 (4.54, 0.82, 25.69 ppm): 4 chemical-shift based assignments, quality = 0.716, support = 4.17, residual support = 87.9: HA LEU 17 - QD2 LEU 17 25.000% * 98.0488% (0.73 4.25 89.64) = 98.049% kept HA LYS+ 55 - QD2 LEU 17 25.000% * 1.0059% (0.38 0.08 0.02) = 1.006% kept HA ALA 103 - QD2 LEU 17 25.000% * 0.6358% (1.00 0.02 0.02) = 0.636% HB THR 46 - QD2 LEU 17 25.000% * 0.3095% (0.49 0.02 0.02) = 0.309% Peak 3426 (1.59, 0.82, 25.69 ppm): 7 chemical-shift based assignments, quality = 0.334, support = 3.45, residual support = 81.2: O T HG LEU 17 - QD2 LEU 17 14.286% * 90.5245% (0.31 10.0 10.00 3.77 89.64) = 90.524% kept HB ILE 19 - QD2 LEU 17 14.286% * 4.1892% (0.34 1.0 1.00 0.84 1.73) = 4.189% kept HD3 LYS+ 32 - QD2 LEU 17 14.286% * 3.1120% (0.84 1.0 1.00 0.25 0.21) = 3.112% kept HB3 LYS+ 32 - QD2 LEU 17 14.286% * 1.4790% (0.97 1.0 1.00 0.10 0.21) = 1.479% kept HD3 LYS+ 60 - QD2 LEU 17 14.286% * 0.5720% (0.25 1.0 1.00 0.16 0.02) = 0.572% HG3 LYS+ 78 - QD2 LEU 17 14.286% * 0.0653% (0.22 1.0 1.00 0.02 0.02) = 0.065% HD3 LYS+ 81 - QD2 LEU 17 14.286% * 0.0580% (0.20 1.0 1.00 0.02 0.02) = 0.058% Peak 3427 (1.68, 0.82, 25.69 ppm): 7 chemical-shift based assignments, quality = 0.77, support = 0.398, residual support = 1.21: HG3 ARG+ 84 - QD2 LEU 17 14.286% * 49.5307% (0.69 0.61 1.35) = 49.531% kept HG13 ILE 19 - QD2 LEU 17 14.286% * 31.1184% (1.00 0.26 1.73) = 31.118% kept HB3 LYS+ 81 - QD2 LEU 17 14.286% * 9.1679% (0.73 0.11 0.02) = 9.168% kept HB3 MET 97 - QD2 LEU 17 14.286% * 6.1130% (0.49 0.11 0.02) = 6.113% kept HD3 LYS+ 55 - QD2 LEU 17 14.286% * 2.3623% (0.99 0.02 0.02) = 2.362% kept HB ILE 100 - QD2 LEU 17 14.286% * 0.8945% (0.38 0.02 0.02) = 0.895% HB3 LYS+ 66 - QD2 LEU 17 14.286% * 0.8130% (0.34 0.02 0.02) = 0.813% Peak 3428 (1.37, 0.82, 25.69 ppm): 9 chemical-shift based assignments, quality = 0.797, support = 5.01, residual support = 87.1: O HB3 LEU 17 - QD2 LEU 17 11.111% * 97.1206% (0.80 10.0 5.15 89.64) = 97.121% kept HB3 LYS+ 20 - QD2 LEU 17 11.111% * 1.2348% (0.95 1.0 0.22 0.77) = 1.235% kept HG3 LYS+ 81 - QD2 LEU 17 11.111% * 1.1172% (0.69 1.0 0.27 0.02) = 1.117% kept HG2 LYS+ 78 - QD2 LEU 17 11.111% * 0.1171% (0.97 1.0 0.02 0.02) = 0.117% QB ALA 11 - QD2 LEU 17 11.111% * 0.1171% (0.97 1.0 0.02 0.02) = 0.117% QG2 THR 39 - QD2 LEU 17 11.111% * 0.1013% (0.84 1.0 0.02 0.02) = 0.101% HG3 ARG+ 22 - QD2 LEU 17 11.111% * 0.0833% (0.69 1.0 0.02 0.13) = 0.083% HG13 ILE 68 - QD2 LEU 17 11.111% * 0.0785% (0.65 1.0 0.02 0.02) = 0.078% HD3 LYS+ 20 - QD2 LEU 17 11.111% * 0.0302% (0.25 1.0 0.02 0.77) = 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): 4 chemical-shift based assignments, quality = 0.287, support = 2.75, residual support = 47.9: O HA LYS+ 81 - HG3 LYS+ 81 25.000% * 97.6458% (0.29 10.0 2.81 49.00) = 97.646% kept HB3 SER 69 - HG3 LYS+ 81 25.000% * 2.1880% (0.24 1.0 0.53 0.80) = 2.188% kept HB2 TRP 51 - HG3 LYS+ 81 25.000% * 0.0985% (0.29 1.0 0.02 0.02) = 0.099% HD2 PRO 52 - HG3 LYS+ 81 25.000% * 0.0677% (0.20 1.0 0.02 0.02) = 0.068% Peak 3431 (3.70, 1.29, 24.93 ppm): 8 chemical-shift based assignments, quality = 0.54, support = 3.42, residual support = 46.8: O HA LYS+ 81 - HG2 LYS+ 81 12.500% * 95.4437% (0.54 10.0 3.57 49.00) = 95.444% kept HB3 SER 69 - HG2 LYS+ 81 12.500% * 2.1387% (0.46 1.0 0.53 0.80) = 2.139% kept HA LYS+ 81 - HG2 LYS+ 32 12.500% * 1.9889% (0.60 1.0 0.38 0.82) = 1.989% kept HB2 TRP 51 - HG2 LYS+ 32 12.500% * 0.1056% (0.60 1.0 0.02 1.63) = 0.106% HB2 TRP 51 - HG2 LYS+ 81 12.500% * 0.0963% (0.55 1.0 0.02 0.02) = 0.096% HB3 SER 69 - HG2 LYS+ 32 12.500% * 0.0882% (0.50 1.0 0.02 0.02) = 0.088% HD2 PRO 52 - HG2 LYS+ 32 12.500% * 0.0725% (0.41 1.0 0.02 0.02) = 0.073% HD2 PRO 52 - HG2 LYS+ 81 12.500% * 0.0661% (0.38 1.0 0.02 0.02) = 0.066% Peak 3432 (4.99, 1.77, 25.40 ppm): 10 chemical-shift based assignments, quality = 0.58, support = 3.83, residual support = 28.7: O HA PRO 31 - HG2 PRO 31 10.000% * 99.2726% (0.58 10.0 3.86 28.87) = 99.273% kept HA SER 69 - HG3 LYS+ 63 10.000% * 0.1247% (0.73 1.0 0.02 0.02) = 0.125% HA SER 69 - HG2 PRO 31 10.000% * 0.1178% (0.69 1.0 0.02 0.02) = 0.118% HA PRO 31 - HG3 LYS+ 63 10.000% * 0.1050% (0.62 1.0 0.02 0.02) = 0.105% HA ILE 68 - HG3 LYS+ 63 10.000% * 0.0961% (0.57 1.0 0.02 0.02) = 0.096% HA ILE 68 - HG2 PRO 31 10.000% * 0.0908% (0.53 1.0 0.02 0.02) = 0.091% HA MET 97 - HG3 LYS+ 63 10.000% * 0.0712% (0.42 1.0 0.02 0.02) = 0.071% HA MET 97 - HG2 PRO 31 10.000% * 0.0673% (0.40 1.0 0.02 0.02) = 0.067% HA ALA 33 - HG3 LYS+ 63 10.000% * 0.0280% (0.16 1.0 0.02 0.02) = 0.028% HA ALA 33 - HG2 PRO 31 10.000% * 0.0265% (0.16 1.0 0.02 0.02) = 0.026% Peak 3433 (4.99, 1.94, 25.37 ppm): 5 chemical-shift based assignments, quality = 0.803, support = 2.94, residual support = 28.8: O HA PRO 31 - HG3 PRO 31 20.000% * 99.6963% (0.81 10.0 2.95 28.87) = 99.696% kept HA SER 69 - HG3 PRO 31 20.000% * 0.1183% (0.96 1.0 0.02 0.02) = 0.118% HA ILE 68 - HG3 PRO 31 20.000% * 0.0912% (0.74 1.0 0.02 0.02) = 0.091% HA MET 97 - HG3 PRO 31 20.000% * 0.0676% (0.55 1.0 0.02 0.02) = 0.068% HA ALA 33 - HG3 PRO 31 20.000% * 0.0266% (0.21 1.0 0.02 0.02) = 0.027% Peak 3434 (1.78, 1.94, 25.25 ppm): 7 chemical-shift based assignments, quality = 0.838, support = 3.9, residual support = 28.5: O T HG2 PRO 31 - HG3 PRO 31 14.286% * 98.6511% (0.85 10.0 10.00 3.95 28.87) = 98.651% kept T HG3 LYS+ 63 - HG3 PRO 31 14.286% * 0.9931% (0.86 1.0 10.00 0.02 0.02) = 0.993% HG3 ARG+ 53 - HG3 PRO 31 14.286% * 0.0976% (0.84 1.0 1.00 0.02 0.02) = 0.098% HB3 GLU- 18 - HG3 PRO 31 14.286% * 0.0797% (0.69 1.0 1.00 0.02 0.02) = 0.080% HB3 LYS+ 108 - HG3 PRO 31 14.286% * 0.0723% (0.62 1.0 1.00 0.02 0.02) = 0.072% HB3 LYS+ 63 - HG3 PRO 31 14.286% * 0.0723% (0.62 1.0 1.00 0.02 0.02) = 0.072% HB3 ARG+ 84 - HG3 PRO 31 14.286% * 0.0340% (0.29 1.0 1.00 0.02 0.02) = 0.034% Peak 3435 (2.11, 1.62, 25.80 ppm): 11 chemical-shift based assignments, quality = 0.675, support = 4.85, residual support = 141.8: O T HB3 LEU 43 - HG LEU 43 9.091% * 95.6909% (0.69 10.0 10.00 5.07 148.16) = 95.691% kept HB3 GLU- 75 - HG LEU 43 9.091% * 1.5186% (0.68 1.0 1.00 0.32 0.02) = 1.519% kept T HB VAL 87 - HG LEU 43 9.091% * 1.0093% (0.72 1.0 10.00 0.02 0.02) = 1.009% kept T HB VAL 105 - HG LEU 43 9.091% * 0.8775% (0.63 1.0 10.00 0.02 0.02) = 0.877% T HB3 PRO 35 - HG LEU 43 9.091% * 0.3679% (0.26 1.0 10.00 0.02 0.02) = 0.368% HA1 GLY 58 - HG LEU 43 9.091% * 0.2294% (0.16 1.0 1.00 0.21 0.02) = 0.229% HG3 GLU- 64 - HG LEU 43 9.091% * 0.0893% (0.64 1.0 1.00 0.02 0.02) = 0.089% HG2 GLU- 45 - HG LEU 43 9.091% * 0.0695% (0.50 1.0 1.00 0.02 0.02) = 0.069% HB VAL 65 - HG LEU 43 9.091% * 0.0573% (0.41 1.0 1.00 0.02 0.02) = 0.057% HG2 GLU- 64 - HG LEU 43 9.091% * 0.0524% (0.38 1.0 1.00 0.02 0.02) = 0.052% HB2 ASP- 28 - HG LEU 43 9.091% * 0.0380% (0.27 1.0 1.00 0.02 0.02) = 0.038% Peak 3436 (3.43, 1.62, 25.80 ppm): 5 chemical-shift based assignments, quality = 0.429, support = 2.07, residual support = 2.98: HA VAL 80 - HG LEU 43 20.000% * 32.6229% (0.30 3.39 5.12) = 32.623% kept HA VAL 62 - HG LEU 43 20.000% * 22.1272% (0.65 1.05 1.15) = 22.127% kept HA VAL 40 - HG LEU 43 20.000% * 20.8049% (0.33 1.98 2.79) = 20.805% kept HA ILE 48 - HG LEU 43 20.000% * 14.9306% (0.72 0.64 0.12) = 14.931% kept HD3 PRO 31 - HG LEU 43 20.000% * 9.5143% (0.13 2.32 4.84) = 9.514% kept Peak 3437 (4.98, 0.45, 25.58 ppm): 12 chemical-shift based assignments, quality = 0.581, support = 2.69, residual support = 15.6: HA SER 69 - QD2 LEU 74 8.333% * 46.8395% (0.71 3.87 31.90) = 46.840% kept HA ILE 68 - QD2 LEU 74 8.333% * 15.0453% (0.29 3.05 2.28) = 15.045% kept HA MET 97 - QD2 LEU 74 8.333% * 13.5197% (0.81 0.99 0.99) = 13.520% kept HA ALA 33 - QD2 LEU 74 8.333% * 13.2206% (0.52 1.51 0.53) = 13.221% kept HA SER 69 - QD2 LEU 43 8.333% * 3.3632% (0.25 0.80 1.96) = 3.363% kept HA PRO 31 - QD2 LEU 74 8.333% * 3.2868% (0.35 0.55 0.02) = 3.287% kept HA HIS+ 98 - QD2 LEU 74 8.333% * 2.5266% (0.24 0.63 0.02) = 2.527% kept HA ILE 68 - QD2 LEU 43 8.333% * 1.9726% (0.10 1.15 1.23) = 1.973% kept HA MET 97 - QD2 LEU 43 8.333% * 0.0952% (0.28 0.02 0.02) = 0.095% HA ALA 33 - QD2 LEU 43 8.333% * 0.0610% (0.18 0.02 0.02) = 0.061% HA PRO 31 - QD2 LEU 43 8.333% * 0.0414% (0.12 0.02 4.84) = 0.041% HA HIS+ 98 - QD2 LEU 43 8.333% * 0.0280% (0.08 0.02 0.02) = 0.028% Peak 3438 (4.19, 0.45, 25.58 ppm): 8 chemical-shift based assignments, quality = 0.516, support = 3.12, residual support = 8.73: HA VAL 73 - QD2 LEU 74 12.500% * 84.7488% (0.52 3.61 10.30) = 84.749% kept HA ASP- 82 - QD2 LEU 74 12.500% * 12.0490% (0.62 0.43 0.02) = 12.049% kept HA ASP- 82 - QD2 LEU 43 12.500% * 1.9222% (0.21 0.20 0.02) = 1.922% kept HB3 SER 49 - QD2 LEU 74 12.500% * 0.6135% (0.67 0.02 1.07) = 0.613% HA GLU- 12 - QD2 LEU 74 12.500% * 0.2152% (0.24 0.02 0.02) = 0.215% HB3 SER 49 - QD2 LEU 43 12.500% * 0.2133% (0.23 0.02 0.02) = 0.213% HA VAL 73 - QD2 LEU 43 12.500% * 0.1632% (0.18 0.02 0.02) = 0.163% HA GLU- 12 - QD2 LEU 43 12.500% * 0.0748% (0.08 0.02 0.02) = 0.075% Peak 3439 (3.94, 0.45, 25.58 ppm): 4 chemical-shift based assignments, quality = 0.838, support = 5.32, residual support = 106.5: HA LEU 74 - QD2 LEU 74 25.000% * 98.7142% (0.84 5.38 107.93) = 98.714% kept HB THR 96 - QD2 LEU 74 25.000% * 1.0906% (0.45 0.11 0.02) = 1.091% kept HA LEU 74 - QD2 LEU 43 25.000% * 0.1275% (0.29 0.02 0.02) = 0.128% HB THR 96 - QD2 LEU 43 25.000% * 0.0677% (0.16 0.02 0.02) = 0.068% Peak 3440 (2.28, 0.45, 25.58 ppm): 20 chemical-shift based assignments, quality = 0.585, support = 1.8, residual support = 4.74: HG3 GLU- 75 - QD2 LEU 74 5.000% * 46.3242% (0.68 2.70 5.01) = 46.324% kept HB3 PRO 35 - QD2 LEU 74 5.000% * 18.5805% (0.83 0.88 0.99) = 18.581% kept HB2 LYS+ 44 - QD2 LEU 43 5.000% * 14.3449% (0.28 2.03 14.75) = 14.345% kept HA1 GLY 58 - QD2 LEU 74 5.000% * 7.1168% (0.42 0.68 0.02) = 7.117% kept HB3 PRO 35 - QD2 LEU 43 5.000% * 4.6082% (0.29 0.63 0.02) = 4.608% kept HB2 PRO 86 - QD2 LEU 74 5.000% * 2.9610% (0.48 0.24 0.02) = 2.961% kept HB VAL 80 - QD2 LEU 43 5.000% * 2.0476% (0.21 0.38 5.12) = 2.048% kept HB VAL 80 - QD2 LEU 74 5.000% * 1.9527% (0.62 0.13 0.58) = 1.953% kept HA1 GLY 58 - QD2 LEU 43 5.000% * 0.7558% (0.15 0.21 0.02) = 0.756% HB2 LYS+ 44 - QD2 LEU 74 5.000% * 0.4055% (0.81 0.02 0.02) = 0.406% HG3 GLU- 54 - QD2 LEU 74 5.000% * 0.1609% (0.32 0.02 0.02) = 0.161% HG2 GLU- 64 - QD2 LEU 74 5.000% * 0.1585% (0.31 0.02 0.02) = 0.158% HG3 GLU- 107 - QD2 LEU 74 5.000% * 0.1323% (0.26 0.02 0.36) = 0.132% HG3 GLU- 75 - QD2 LEU 43 5.000% * 0.1194% (0.24 0.02 0.02) = 0.119% HB2 PRO 86 - QD2 LEU 43 5.000% * 0.0844% (0.17 0.02 0.02) = 0.084% HG3 GLU- 64 - QD2 LEU 74 5.000% * 0.0670% (0.13 0.02 0.02) = 0.067% HG3 GLU- 54 - QD2 LEU 43 5.000% * 0.0559% (0.11 0.02 0.02) = 0.056% HG2 GLU- 64 - QD2 LEU 43 5.000% * 0.0551% (0.11 0.02 0.02) = 0.055% HG3 GLU- 107 - QD2 LEU 43 5.000% * 0.0460% (0.09 0.02 0.02) = 0.046% HG3 GLU- 64 - QD2 LEU 43 5.000% * 0.0233% (0.05 0.02 0.02) = 0.023% Peak 3441 (7.97, 3.44, 66.51 ppm): 4 chemical-shift based assignments, quality = 0.45, support = 1.3, residual support = 1.51: HN LEU 43 - HA VAL 62 25.000% * 46.5379% (0.50 1.22 1.15) = 46.538% kept HN LEU 43 - HA VAL 40 25.000% * 30.2387% (0.19 2.09 2.79) = 30.239% kept HN LYS+ 72 - HA VAL 62 25.000% * 22.8233% (0.69 0.43 0.59) = 22.823% kept HN LYS+ 72 - HA VAL 40 25.000% * 0.4001% (0.26 0.02 0.02) = 0.400% Peak 3442 (7.88, 3.44, 66.51 ppm): 8 chemical-shift based assignments, quality = 0.699, support = 1.06, residual support = 0.634: HN LYS+ 44 - HA VAL 62 12.500% * 65.1617% (0.90 1.21 0.77) = 65.162% kept HN LYS+ 44 - HA VAL 40 12.500% * 20.7433% (0.34 1.02 0.38) = 20.743% kept HN THR 38 - HA VAL 40 12.500% * 7.8334% (0.20 0.64 0.71) = 7.833% kept HN LEU 90 - HA VAL 40 12.500% * 3.4105% (0.36 0.16 0.02) = 3.411% kept HN LEU 90 - HA VAL 62 12.500% * 1.1345% (0.96 0.02 0.02) = 1.134% kept HD22 ASN 89 - HA VAL 62 12.500% * 0.7793% (0.66 0.02 0.02) = 0.779% HN THR 38 - HA VAL 62 12.500% * 0.6423% (0.54 0.02 0.02) = 0.642% HD22 ASN 89 - HA VAL 40 12.500% * 0.2951% (0.25 0.02 0.02) = 0.295% Peak 3443 (7.06, 3.45, 67.59 ppm): 2 chemical-shift based assignments, quality = 0.854, support = 1.53, residual support = 3.52: T QD TYR 83 - HA VAL 80 50.000% * 99.9535% (0.85 10.00 1.53 3.52) = 99.954% kept QE PHE 21 - HA VAL 80 50.000% * 0.0465% (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 = 3.5: HN TYR 83 - HA VAL 80 50.000% * 99.3380% (0.98 0.75 3.52) = 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 = 0.929, support = 4.22, residual support = 25.4: O HN VAL 80 - HA VAL 80 25.000% * 96.7134% (0.93 10.0 4.35 26.28) = 96.713% kept HN VAL 73 - HA VAL 80 25.000% * 2.8074% (0.98 1.0 0.55 0.02) = 2.807% kept HN THR 39 - HA VAL 80 25.000% * 0.4443% (0.91 1.0 0.09 1.02) = 0.444% HN LYS+ 20 - HA VAL 80 25.000% * 0.0349% (0.34 1.0 0.02 0.02) = 0.035% Peak 3446 (6.88, 3.08, 67.44 ppm): 3 chemical-shift based assignments, quality = 0.629, support = 0.849, residual support = 8.25: QD PHE 21 - HA VAL 47 33.333% * 58.6557% (0.81 0.93 10.30) = 58.656% kept HZ PHE 21 - HA VAL 47 33.333% * 20.7284% (0.31 0.86 10.30) = 20.728% kept HD22 ASN 15 - HA VAL 47 33.333% * 20.6158% (0.44 0.60 0.36) = 20.616% kept Peak 3447 (8.36, 3.08, 67.44 ppm): 4 chemical-shift based assignments, quality = 0.779, support = 0.38, residual support = 0.225: HN ALA 103 - HA VAL 47 25.000% * 37.6261% (0.69 0.50 0.47) = 37.626% kept HN GLY 71 - HA VAL 47 25.000% * 31.6554% (0.87 0.33 0.13) = 31.655% kept HN LYS+ 108 - HA VAL 47 25.000% * 27.4248% (0.87 0.29 0.02) = 27.425% kept HN GLU- 50 - HA VAL 47 25.000% * 3.2937% (0.18 0.17 0.02) = 3.294% kept Not enough total support, support cutoff is 0.60 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 = 2.07, residual support = 4.71: HN ILE 100 - QD1 LEU 67 100.000% *100.0000% (0.76 2.07 4.71) = 100.000% kept Peak 3452 (4.77, 1.41, 25.08 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3453 (8.23, 1.27, 24.84 ppm): 22 chemical-shift based assignments, quality = 0.686, support = 3.29, residual support = 28.5: HN LYS+ 81 - HG2 LYS+ 81 4.545% * 57.4794% (0.79 5.03 49.00) = 57.479% kept HN LYS+ 81 - HG2 LYS+ 32 4.545% * 15.8328% (0.93 1.17 0.82) = 15.833% kept HN THR 106 - HG2 LYS+ 81 4.545% * 7.9826% (0.37 1.50 1.85) = 7.983% kept HN VAL 94 - HG2 LYS+ 81 4.545% * 4.8363% (0.43 0.78 0.10) = 4.836% kept HN GLN 16 - HG2 LYS+ 81 4.545% * 2.6163% (0.13 1.43 0.02) = 2.616% kept HN VAL 105 - HG2 LYS+ 32 4.545% * 2.1336% (0.47 0.31 0.02) = 2.134% kept HN VAL 94 - HG2 LYS+ 32 4.545% * 1.8783% (0.51 0.26 0.02) = 1.878% kept HN VAL 105 - HG2 LYS+ 81 4.545% * 1.3438% (0.40 0.23 0.02) = 1.344% kept HN ALA 11 - HG2 LYS+ 32 4.545% * 1.1537% (0.33 0.24 0.02) = 1.154% kept HN ALA 11 - HG2 LYS+ 81 4.545% * 1.1491% (0.28 0.28 0.02) = 1.149% kept HN GLU- 12 - HG2 LYS+ 81 4.545% * 0.9286% (0.73 0.09 0.02) = 0.929% HN GLN 16 - HG2 LYS+ 32 4.545% * 0.6259% (0.15 0.29 0.22) = 0.626% HN GLY 58 - HG2 LYS+ 32 4.545% * 0.2791% (0.96 0.02 0.02) = 0.279% HN SER 49 - HG2 LYS+ 32 4.545% * 0.2742% (0.95 0.02 0.02) = 0.274% HN LEU 67 - HG2 LYS+ 32 4.545% * 0.2699% (0.93 0.02 0.02) = 0.270% HN GLU- 12 - HG2 LYS+ 32 4.545% * 0.2509% (0.87 0.02 0.02) = 0.251% HN GLY 58 - HG2 LYS+ 81 4.545% * 0.2362% (0.81 0.02 0.02) = 0.236% HN SER 49 - HG2 LYS+ 81 4.545% * 0.2320% (0.80 0.02 0.02) = 0.232% HN LEU 67 - HG2 LYS+ 81 4.545% * 0.2284% (0.79 0.02 0.02) = 0.228% HN THR 106 - HG2 LYS+ 32 4.545% * 0.1254% (0.43 0.02 0.02) = 0.125% HN GLU- 45 - HG2 LYS+ 32 4.545% * 0.0778% (0.27 0.02 0.02) = 0.078% HN GLU- 45 - HG2 LYS+ 81 4.545% * 0.0658% (0.23 0.02 0.02) = 0.066% Peak 3454 (7.34, 1.27, 24.84 ppm): 12 chemical-shift based assignments, quality = 0.872, support = 3.1, residual support = 18.1: QE PHE 34 - HG2 LYS+ 32 8.333% * 39.2345% (0.96 4.38 22.26) = 39.235% kept HZ PHE 34 - HG2 LYS+ 32 8.333% * 24.8553% (0.96 2.77 22.26) = 24.855% kept QD PHE 34 - HG2 LYS+ 32 8.333% * 15.9870% (0.62 2.73 22.26) = 15.987% kept HZ2 TRP 51 - HG2 LYS+ 32 8.333% * 14.0944% (0.96 1.57 1.63) = 14.094% kept HN ARG+ 84 - HG2 LYS+ 81 8.333% * 3.3127% (0.43 0.82 0.56) = 3.313% kept HN VAL 47 - HG2 LYS+ 32 8.333% * 1.7807% (0.55 0.35 0.02) = 1.781% kept HZ2 TRP 51 - HG2 LYS+ 81 8.333% * 0.1516% (0.81 0.02 0.02) = 0.152% QE PHE 34 - HG2 LYS+ 81 8.333% * 0.1516% (0.81 0.02 0.02) = 0.152% HZ PHE 34 - HG2 LYS+ 81 8.333% * 0.1516% (0.81 0.02 0.02) = 0.152% QD PHE 34 - HG2 LYS+ 81 8.333% * 0.0989% (0.53 0.02 0.02) = 0.099% HN ARG+ 84 - HG2 LYS+ 32 8.333% * 0.0951% (0.51 0.02 0.02) = 0.095% HN VAL 47 - HG2 LYS+ 81 8.333% * 0.0866% (0.46 0.02 0.02) = 0.087% Peak 3455 (4.48, 1.27, 24.84 ppm): 12 chemical-shift based assignments, quality = 0.937, support = 3.49, residual support = 36.3: O HA LYS+ 32 - HG2 LYS+ 32 8.333% * 95.1600% (0.96 10.0 3.66 38.08) = 95.160% kept HA LYS+ 32 - HG2 LYS+ 81 8.333% * 1.5868% (0.81 1.0 0.39 0.82) = 1.587% kept HA ILE 100 - HG2 LYS+ 32 8.333% * 1.0127% (0.74 1.0 0.28 0.02) = 1.013% kept HA SER 77 - HG2 LYS+ 81 8.333% * 0.9637% (0.59 1.0 0.33 0.02) = 0.964% HB THR 79 - HG2 LYS+ 81 8.333% * 0.9315% (0.31 1.0 0.62 1.99) = 0.932% HA GLN 102 - HG2 LYS+ 32 8.333% * 0.0729% (0.74 1.0 0.02 1.55) = 0.073% HA SER 77 - HG2 LYS+ 32 8.333% * 0.0693% (0.70 1.0 0.02 0.02) = 0.069% HA ILE 100 - HG2 LYS+ 81 8.333% * 0.0617% (0.62 1.0 0.02 0.02) = 0.062% HA GLN 102 - HG2 LYS+ 81 8.333% * 0.0617% (0.62 1.0 0.02 0.02) = 0.062% HB THR 79 - HG2 LYS+ 32 8.333% * 0.0358% (0.36 1.0 0.02 0.02) = 0.036% HA GLU- 50 - HG2 LYS+ 32 8.333% * 0.0238% (0.24 1.0 0.02 0.02) = 0.024% HA GLU- 50 - HG2 LYS+ 81 8.333% * 0.0201% (0.20 1.0 0.02 0.02) = 0.020% Peak 3456 (3.49, 1.13, 24.84 ppm): 2 chemical-shift based assignments, quality = 0.948, support = 1.58, residual support = 7.02: HA1 GLY 30 - HG3 LYS+ 32 50.000% * 99.7504% (0.95 1.59 7.04) = 99.750% kept HA1 GLY 71 - HG3 LYS+ 32 50.000% * 0.2496% (0.19 0.02 0.02) = 0.250% Peak 3457 (3.49, 1.27, 24.84 ppm): 4 chemical-shift based assignments, quality = 0.957, support = 1.58, residual support = 6.93: HA1 GLY 30 - HG2 LYS+ 32 25.000% * 98.5118% (0.96 1.60 7.04) = 98.512% kept HA1 GLY 30 - HG2 LYS+ 81 25.000% * 1.0387% (0.81 0.02 0.02) = 1.039% kept HA1 GLY 71 - HG2 LYS+ 32 25.000% * 0.2435% (0.19 0.02 0.02) = 0.243% HA1 GLY 71 - HG2 LYS+ 81 25.000% * 0.2060% (0.16 0.02 0.02) = 0.206% Peak 3458 (3.18, 0.93, 24.69 ppm): 8 chemical-shift based assignments, quality = 0.24, support = 0.528, residual support = 0.724: T HD3 ARG+ 84 - QG2 VAL 40 12.500% * 49.1208% (0.27 10.00 0.47 0.12) = 49.121% kept T HD3 ARG+ 84 - QD1 LEU 17 12.500% * 49.0085% (0.21 10.00 0.61 1.35) = 49.008% kept HA1 GLY 58 - QD1 LEU 17 12.500% * 0.8681% (0.04 1.00 0.54 0.02) = 0.868% T HD2 ARG+ 53 - QG2 VAL 40 12.500% * 0.3663% (0.05 10.00 0.02 0.02) = 0.366% T HD2 ARG+ 53 - QD1 LEU 17 12.500% * 0.2843% (0.04 10.00 0.02 0.02) = 0.284% HB3 PHE 34 - QG2 VAL 40 12.500% * 0.1747% (0.23 1.00 0.02 0.02) = 0.175% HB3 PHE 34 - QD1 LEU 17 12.500% * 0.1356% (0.18 1.00 0.02 0.64) = 0.136% HA1 GLY 58 - QG2 VAL 40 12.500% * 0.0416% (0.05 1.00 0.02 0.02) = 0.042% Peak 3459 (8.98, 0.93, 24.65 ppm): 6 chemical-shift based assignments, quality = 0.152, support = 2.14, residual support = 37.6: HN LEU 17 - QD1 LEU 17 16.667% * 41.5773% (0.06 4.21 89.64) = 41.577% kept HN ILE 19 - QG2 VAL 40 16.667% * 31.6887% (0.29 0.66 0.02) = 31.689% kept HN ILE 19 - QD1 LEU 17 16.667% * 19.6831% (0.14 0.87 1.73) = 19.683% kept HN MET 97 - QD1 LEU 17 16.667% * 3.9981% (0.09 0.27 0.02) = 3.998% kept HN MET 97 - QG2 VAL 40 16.667% * 2.6341% (0.19 0.09 0.02) = 2.634% kept HN LEU 17 - QG2 VAL 40 16.667% * 0.4186% (0.13 0.02 0.02) = 0.419% Peak 3460 (8.61, 1.03, 24.99 ppm): 4 chemical-shift based assignments, quality = 0.7, support = 3.41, residual support = 40.0: HN LYS+ 20 - HG3 LYS+ 20 25.000% * 94.8578% (0.71 3.58 42.15) = 94.858% kept HN SER 85 - HG3 LYS+ 20 25.000% * 4.9021% (0.44 0.30 0.02) = 4.902% kept HN THR 39 - HG3 LYS+ 20 25.000% * 0.1277% (0.17 0.02 1.82) = 0.128% HN VAL 80 - HG3 LYS+ 20 25.000% * 0.1125% (0.15 0.02 0.02) = 0.112% Peak 3461 (7.83, 1.28, 25.06 ppm): 6 chemical-shift based assignments, quality = 0.244, support = 1.2, residual support = 1.43: HN LYS+ 55 - HG2 LYS+ 32 16.667% * 85.3422% (0.22 1.40 1.67) = 85.342% kept HN LYS+ 63 - HG2 LYS+ 32 16.667% * 10.5412% (0.46 0.08 0.02) = 10.541% kept HN ALA 93 - HG2 LYS+ 81 16.667% * 1.7008% (0.05 0.13 0.02) = 1.701% kept HN LYS+ 63 - HG2 LYS+ 81 16.667% * 1.2911% (0.24 0.02 0.02) = 1.291% kept HN LYS+ 55 - HG2 LYS+ 81 16.667% * 0.6284% (0.12 0.02 0.02) = 0.628% HN ALA 93 - HG2 LYS+ 32 16.667% * 0.4963% (0.09 0.02 0.02) = 0.496% Peak 3462 (4.78, 1.28, 25.06 ppm): 4 chemical-shift based assignments, quality = 0.249, support = 0.432, residual support = 0.755: HA ASN 15 - HG2 LYS+ 81 25.000% * 89.4040% (0.24 0.48 0.84) = 89.404% kept HA ASN 15 - HG2 LYS+ 32 25.000% * 7.2203% (0.46 0.02 0.02) = 7.220% kept HA LEU 23 - HG2 LYS+ 32 25.000% * 2.2285% (0.14 0.02 0.02) = 2.229% kept HA LEU 23 - HG2 LYS+ 81 25.000% * 1.1472% (0.07 0.02 0.14) = 1.147% kept Peak 3463 (4.51, 1.40, 25.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3464 (4.10, 1.40, 25.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3465 (2.23, 1.46, 27.63 ppm): 16 chemical-shift based assignments, quality = 0.157, support = 0.682, residual support = 0.391: HB2 GLU- 50 - HG2 PRO 59 6.250% * 46.6051% (0.17 0.91 0.27) = 46.605% kept HA1 GLY 58 - HG2 PRO 59 6.250% * 26.7602% (0.10 0.90 0.97) = 26.760% kept HB3 PRO 52 - HG2 PRO 59 6.250% * 7.5072% (0.24 0.10 0.02) = 7.507% kept HB3 PRO 35 - HG2 PRO 59 6.250% * 5.4349% (0.21 0.09 0.02) = 5.435% kept HG3 MET 97 - HG2 PRO 59 6.250% * 3.5738% (0.14 0.08 0.02) = 3.574% kept HG3 GLU- 56 - HG2 PRO 59 6.250% * 1.3352% (0.22 0.02 0.02) = 1.335% kept HG3 GLN 102 - HG2 PRO 59 6.250% * 1.2914% (0.21 0.02 0.02) = 1.291% kept HG3 GLU- 10 - HG2 PRO 59 6.250% * 1.2435% (0.21 0.02 0.02) = 1.244% kept HG2 GLU- 64 - HG2 PRO 59 6.250% * 1.1921% (0.20 0.02 0.02) = 1.192% kept HG2 GLU- 56 - HG2 PRO 59 6.250% * 1.1921% (0.20 0.02 0.02) = 1.192% kept HG3 GLU- 18 - HG2 PRO 59 6.250% * 1.1378% (0.19 0.02 0.02) = 1.138% kept HB3 ASN 15 - HG2 PRO 59 6.250% * 1.0227% (0.17 0.02 0.02) = 1.023% kept HG3 GLU- 64 - HG2 PRO 59 6.250% * 0.7068% (0.12 0.02 0.02) = 0.707% HG3 GLU- 107 - HG2 PRO 59 6.250% * 0.3712% (0.06 0.02 0.02) = 0.371% HG3 GLN 16 - HG2 PRO 59 6.250% * 0.3315% (0.06 0.02 0.02) = 0.331% HG3 GLU- 54 - HG2 PRO 59 6.250% * 0.2946% (0.05 0.02 0.02) = 0.295% Not enough quality. Peak unassigned. Peak 3466 (2.23, 1.68, 27.63 ppm): 15 chemical-shift based assignments, quality = 0.552, support = 0.732, residual support = 0.327: HA1 GLY 58 - HG3 ARG+ 84 6.667% * 32.0451% (0.36 1.51 0.56) = 32.045% kept HG3 GLU- 64 - HG3 ARG+ 84 6.667% * 18.9608% (0.47 0.69 0.02) = 18.961% kept HG2 GLU- 64 - HG3 ARG+ 84 6.667% * 18.7665% (0.77 0.42 0.02) = 18.767% kept HB3 PRO 52 - HG3 ARG+ 84 6.667% * 9.1229% (0.92 0.17 0.10) = 9.123% kept HG3 GLU- 18 - HG3 ARG+ 84 6.667% * 7.6552% (0.83 0.16 1.52) = 7.655% kept HB3 PRO 35 - HG3 ARG+ 84 6.667% * 4.8324% (0.78 0.11 0.02) = 4.832% kept HG3 GLN 16 - HG3 ARG+ 84 6.667% * 2.9116% (0.31 0.16 0.50) = 2.912% kept HG3 GLN 102 - HG3 ARG+ 84 6.667% * 1.0379% (0.89 0.02 0.02) = 1.038% kept HB2 GLU- 50 - HG3 ARG+ 84 6.667% * 0.8983% (0.77 0.02 0.02) = 0.898% HG3 GLU- 56 - HG3 ARG+ 84 6.667% * 0.8219% (0.70 0.02 0.02) = 0.822% HG3 MET 97 - HG3 ARG+ 84 6.667% * 0.7810% (0.67 0.02 0.02) = 0.781% HG3 GLU- 10 - HG3 ARG+ 84 6.667% * 0.7388% (0.63 0.02 0.02) = 0.739% HG2 GLU- 56 - HG3 ARG+ 84 6.667% * 0.6957% (0.60 0.02 0.02) = 0.696% HB3 ASN 15 - HG3 ARG+ 84 6.667% * 0.5658% (0.48 0.02 0.02) = 0.566% HG3 GLU- 107 - HG3 ARG+ 84 6.667% * 0.1659% (0.14 0.02 0.02) = 0.166% Peak 3467 (0.28, 1.63, 27.60 ppm): 1 chemical-shift based assignment, quality = 0.819, support = 0.53, residual support = 1.57: T QD2 LEU 23 - HG12 ILE 101 100.000% *100.0000% (0.82 10.00 0.53 1.57) = 100.000% kept Peak 3469 (0.28, 1.46, 27.63 ppm): 1 chemical-shift based assignment, quality = 0.239, support = 0.297, residual support = 0.297: QD2 LEU 23 - HG2 PRO 59 100.000% *100.0000% (0.24 0.30 0.30) = 100.000% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3470 (3.99, 0.68, 28.31 ppm): 4 chemical-shift based assignments, quality = 0.799, support = 2.15, residual support = 8.97: T HB THR 95 - HG12 ILE 19 25.000% * 90.6678% (0.80 10.00 2.25 9.77) = 90.668% kept HA1 GLY 92 - HG12 ILE 19 25.000% * 6.8899% (0.86 1.00 1.42 1.54) = 6.890% kept HA THR 38 - HG12 ILE 19 25.000% * 2.4121% (0.62 1.00 0.69 0.35) = 2.412% kept HA VAL 13 - HG12 ILE 19 25.000% * 0.0302% (0.27 1.00 0.02 0.02) = 0.030% Peak 3471 (4.87, 0.68, 28.31 ppm): 2 chemical-shift based assignments, quality = 0.813, support = 5.48, residual support = 87.5: O HA ILE 19 - HG12 ILE 19 50.000% * 96.5574% (0.83 10.0 5.61 90.57) = 96.557% kept HA THR 96 - HG12 ILE 19 50.000% * 3.4426% (0.33 1.0 1.81 2.53) = 3.443% kept 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): 6 chemical-shift based assignments, quality = 0.666, support = 1.9, residual support = 2.2: HA VAL 105 - HG13 ILE 68 16.667% * 31.2515% (0.65 2.36 2.25) = 31.251% kept HB3 SER 49 - HG13 ILE 68 16.667% * 27.7918% (0.71 1.93 2.61) = 27.792% kept HA VAL 73 - HG13 ILE 68 16.667% * 20.5594% (0.65 1.55 2.96) = 20.559% kept HB THR 106 - HG13 ILE 68 16.667% * 20.1951% (0.65 1.52 0.80) = 20.195% kept HA VAL 87 - HG13 ILE 68 16.667% * 0.1487% (0.37 0.02 0.02) = 0.149% HB2 SER 88 - HG13 ILE 68 16.667% * 0.0535% (0.13 0.02 0.02) = 0.054% Peak 3476 (4.48, 1.39, 28.01 ppm): 12 chemical-shift based assignments, quality = 0.779, support = 5.32, residual support = 69.1: O HA ILE 100 - HG13 ILE 100 8.333% * 98.0389% (0.78 10.0 5.42 70.49) = 98.039% kept HA GLN 102 - HG13 ILE 100 8.333% * 1.5808% (0.78 1.0 0.32 0.13) = 1.581% kept HA LYS+ 32 - HG13 ILE 100 8.333% * 0.1025% (0.82 1.0 0.02 0.02) = 0.102% HA SER 77 - HG13 ILE 100 8.333% * 0.0559% (0.45 1.0 0.02 0.02) = 0.056% HA GLU- 50 - HG13 ILE 100 8.333% * 0.0437% (0.35 1.0 0.02 0.24) = 0.044% HA LYS+ 32 - HG13 ILE 68 8.333% * 0.0376% (0.30 1.0 0.02 0.02) = 0.038% HA ILE 100 - HG13 ILE 68 8.333% * 0.0359% (0.29 1.0 0.02 0.18) = 0.036% HA GLN 102 - HG13 ILE 68 8.333% * 0.0359% (0.29 1.0 0.02 0.02) = 0.036% HB THR 79 - HG13 ILE 100 8.333% * 0.0236% (0.19 1.0 0.02 0.02) = 0.024% HA SER 77 - HG13 ILE 68 8.333% * 0.0205% (0.16 1.0 0.02 0.02) = 0.020% HA GLU- 50 - HG13 ILE 68 8.333% * 0.0160% (0.13 1.0 0.02 0.02) = 0.016% HB THR 79 - HG13 ILE 68 8.333% * 0.0087% (0.07 1.0 0.02 0.02) = 0.009% Peak 3477 (3.29, 1.68, 27.61 ppm): 2 chemical-shift based assignments, quality = 0.739, support = 0.15, residual support = 0.02: HE3 LYS+ 63 - HG3 ARG+ 84 50.000% * 67.1026% (0.73 0.18 0.02) = 67.103% kept HD3 ARG+ 53 - HG3 ARG+ 84 50.000% * 32.8974% (0.76 0.09 0.02) = 32.897% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3478 (3.14, 1.77, 27.51 ppm): 6 chemical-shift based assignments, quality = 0.475, support = 1.68, residual support = 31.3: O T HD2 ARG+ 53 - HG3 ARG+ 53 16.667% * 99.2766% (0.48 10.0 10.00 1.69 31.56) = 99.277% kept T HA1 GLY 58 - HG3 ARG+ 53 16.667% * 0.3425% (0.16 1.0 10.00 0.02 0.02) = 0.342% HE3 LYS+ 108 - HG3 ARG+ 53 16.667% * 0.1226% (0.59 1.0 1.00 0.02 0.02) = 0.123% HB3 HIS+ 98 - HG3 ARG+ 53 16.667% * 0.1186% (0.57 1.0 1.00 0.02 0.02) = 0.119% HE3 LYS+ 72 - HG3 ARG+ 53 16.667% * 0.1186% (0.57 1.0 1.00 0.02 0.02) = 0.119% HB3 ASP- 25 - HG3 ARG+ 53 16.667% * 0.0211% (0.10 1.0 1.00 0.02 0.02) = 0.021% Peak 3479 (3.13, 1.56, 27.31 ppm): 6 chemical-shift based assignments, quality = 0.178, support = 1.03, residual support = 0.684: HB3 HIS+ 98 - HG LEU 17 16.667% * 77.4904% (0.19 1.21 0.88) = 77.490% kept HA1 GLY 58 - HG LEU 17 16.667% * 12.9975% (0.06 0.61 0.02) = 12.997% kept HE3 LYS+ 72 - HG LEU 17 16.667% * 6.5158% (0.24 0.08 0.02) = 6.516% kept HE3 LYS+ 108 - HG LEU 17 16.667% * 1.6116% (0.24 0.02 0.02) = 1.612% kept HD2 ARG+ 53 - HG LEU 17 16.667% * 1.0129% (0.15 0.02 0.02) = 1.013% kept HB3 ASP- 25 - HG LEU 17 16.667% * 0.3718% (0.06 0.02 0.02) = 0.372% Not enough quality. Peak unassigned. Peak 3480 (4.55, 1.56, 27.31 ppm): 5 chemical-shift based assignments, quality = 0.248, support = 3.94, residual support = 89.5: O HA LEU 17 - HG LEU 17 20.000% * 99.7997% (0.25 10.0 3.95 89.64) = 99.800% kept HA ALA 103 - HG LEU 17 20.000% * 0.0806% (0.20 1.0 0.02 0.02) = 0.081% HA LYS+ 55 - HG LEU 17 20.000% * 0.0770% (0.19 1.0 0.02 0.02) = 0.077% HA LYS+ 78 - HG LEU 17 20.000% * 0.0251% (0.06 1.0 0.02 0.02) = 0.025% HB THR 46 - HG LEU 17 20.000% * 0.0176% (0.04 1.0 0.02 0.02) = 0.018% Peak 3481 (4.85, 2.04, 27.63 ppm): 2 chemical-shift based assignments, quality = 0.237, support = 2.02, residual support = 4.49: HA THR 96 - HG3 PRO 86 50.000% * 84.6998% (0.27 2.02 4.49) = 84.700% kept HA THR 96 - HG2 PRO 86 50.000% * 15.3002% (0.05 2.02 4.49) = 15.300% kept Peak 3482 (3.50, 0.81, 27.87 ppm): 3 chemical-shift based assignments, quality = 0.314, support = 0.272, residual support = 0.448: HA LYS+ 44 - QD2 LEU 67 33.333% * 82.2077% (0.25 0.33 0.54) = 82.208% kept HA1 GLY 30 - QD2 LEU 67 33.333% * 14.6743% (0.72 0.02 0.02) = 14.674% kept HA1 GLY 26 - QD2 LEU 67 33.333% * 3.1181% (0.15 0.02 0.02) = 3.118% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3483 (5.57, 0.81, 27.87 ppm): 1 chemical-shift based assignment, quality = 0.959, support = 4.84, residual support = 78.4: HA LEU 67 - QD2 LEU 67 100.000% *100.0000% (0.96 4.84 78.38) = 100.000% kept Peak 3484 (7.05, 0.81, 27.87 ppm): 2 chemical-shift based assignments, quality = 0.84, support = 0.826, residual support = 2.19: QD TYR 83 - QD2 LEU 67 50.000% * 56.5885% (0.99 0.77 1.62) = 56.588% kept QE PHE 21 - QD2 LEU 67 50.000% * 43.4115% (0.64 0.91 2.94) = 43.412% kept Peak 3485 (7.93, 0.81, 27.87 ppm): 1 chemical-shift based assignment, quality = 0.373, support = 0.219, residual support = 0.219: HN LYS+ 72 - QD2 LEU 67 100.000% *100.0000% (0.37 0.22 0.22) = 100.000% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3486 (8.27, 0.81, 27.87 ppm): 7 chemical-shift based assignments, quality = 0.278, support = 4.1, residual support = 65.7: HN LEU 67 - QD2 LEU 67 14.286% * 83.7546% (0.20 4.88 78.38) = 83.755% kept HN ASN 89 - QD2 LEU 67 14.286% * 7.3915% (0.76 0.11 0.02) = 7.391% kept HN THR 106 - QD2 LEU 67 14.286% * 5.6579% (0.72 0.09 0.02) = 5.658% kept HN GLN 16 - QD2 LEU 67 14.286% * 1.7194% (0.98 0.02 0.13) = 1.719% kept HN ASP- 28 - QD2 LEU 67 14.286% * 0.6511% (0.37 0.02 0.02) = 0.651% HN GLU- 12 - QD2 LEU 67 14.286% * 0.4823% (0.28 0.02 0.02) = 0.482% HN LYS+ 81 - QD2 LEU 67 14.286% * 0.3433% (0.20 0.02 0.02) = 0.343% Peak 3487 (4.18, 0.93, 28.37 ppm): 6 chemical-shift based assignments, quality = 0.791, support = 2.57, residual support = 2.64: T HA VAL 73 - HG12 ILE 68 16.667% * 41.0574% (0.93 10.00 3.07 2.96) = 41.057% kept T HB3 SER 49 - HG12 ILE 68 16.667% * 36.7579% (0.84 10.00 2.06 2.61) = 36.758% kept T HA VAL 105 - HG12 ILE 68 16.667% * 20.1632% (0.46 10.00 2.54 2.25) = 20.163% kept HB THR 106 - HG12 ILE 68 16.667% * 1.9385% (0.46 1.00 1.92 0.80) = 1.939% kept T HA VAL 87 - HG12 ILE 68 16.667% * 0.0725% (0.16 10.00 0.02 0.02) = 0.073% HA ASP- 82 - HG12 ILE 68 16.667% * 0.0103% (0.23 1.00 0.02 0.02) = 0.010% Peak 3488 (8.87, 0.93, 28.37 ppm): 2 chemical-shift based assignments, quality = 0.833, support = 6.12, residual support = 80.7: HN ILE 68 - HG12 ILE 68 50.000% * 88.1244% (0.84 6.81 91.50) = 88.124% kept HN ASP- 36 - HG12 ILE 68 50.000% * 11.8756% (0.75 1.03 0.69) = 11.876% kept Peak 3489 (8.87, 1.38, 28.37 ppm): 2 chemical-shift based assignments, quality = 0.797, support = 5.41, residual support = 80.4: HN ILE 68 - HG13 ILE 68 50.000% * 87.7461% (0.81 6.03 91.50) = 87.746% kept HN ASP- 36 - HG13 ILE 68 50.000% * 12.2539% (0.72 0.94 0.69) = 12.254% kept Peak 3490 (9.25, 1.40, 27.95 ppm): 2 chemical-shift based assignments, quality = 0.89, support = 4.09, residual support = 68.7: HN ILE 100 - HG13 ILE 100 50.000% * 97.5256% (0.91 4.18 70.49) = 97.526% kept HN ILE 100 - HG13 ILE 68 50.000% * 2.4744% (0.17 0.55 0.18) = 2.474% 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: Peak unassigned. Peak 3492 (9.09, 1.78, 27.37 ppm): 2 chemical-shift based assignments, quality = 0.619, support = 4.81, residual support = 24.3: HN GLU- 54 - HG3 ARG+ 53 50.000% * 86.2509% (0.60 5.46 28.15) = 86.251% kept HN LYS+ 66 - HG3 ARG+ 53 50.000% * 13.7491% (0.72 0.73 0.02) = 13.749% kept Peak 3494 (7.33, 1.77, 27.63 ppm): 7 chemical-shift based assignments, quality = 0.301, support = 0.711, residual support = 0.115: QD PHE 34 - HG3 ARG+ 53 14.286% * 45.3194% (0.32 0.96 0.16) = 45.319% kept HZ PHE 34 - HG3 ARG+ 53 14.286% * 24.0490% (0.29 0.57 0.16) = 24.049% kept HZ2 TRP 51 - HG3 ARG+ 53 14.286% * 23.6169% (0.29 0.56 0.02) = 23.617% kept HN ARG+ 84 - HG3 ARG+ 53 14.286% * 5.1180% (0.30 0.12 0.02) = 5.118% kept HN VAL 47 - HG3 ARG+ 53 14.286% * 0.9002% (0.31 0.02 0.02) = 0.900% QE PHE 34 - HG3 ARG+ 53 14.286% * 0.8459% (0.29 0.02 0.16) = 0.846% HN ILE 48 - HG3 ARG+ 53 14.286% * 0.1505% (0.05 0.02 0.02) = 0.150% Peak 3495 (7.33, 1.66, 27.63 ppm): 14 chemical-shift based assignments, quality = 0.559, support = 1.34, residual support = 4.45: HN ARG+ 84 - HG3 ARG+ 84 7.143% * 40.3468% (0.63 2.20 9.90) = 40.347% kept HZ PHE 34 - HG3 ARG+ 84 7.143% * 17.0680% (0.61 0.96 0.12) = 17.068% kept HZ2 TRP 51 - HG12 ILE 101 7.143% * 10.4607% (0.26 1.39 3.70) = 10.461% kept QE PHE 34 - HG3 ARG+ 84 7.143% * 10.2177% (0.61 0.58 0.12) = 10.218% kept QD PHE 34 - HG3 ARG+ 84 7.143% * 8.7742% (0.68 0.45 0.12) = 8.774% kept HN VAL 47 - HG3 ARG+ 84 7.143% * 4.8069% (0.65 0.26 0.02) = 4.807% kept HN ILE 48 - HG3 ARG+ 84 7.143% * 2.2168% (0.11 0.70 1.16) = 2.217% kept QD PHE 34 - HG12 ILE 101 7.143% * 1.9472% (0.29 0.23 0.02) = 1.947% kept QE PHE 34 - HG12 ILE 101 7.143% * 1.7666% (0.26 0.23 0.02) = 1.767% kept HN VAL 47 - HG12 ILE 101 7.143% * 1.7076% (0.28 0.21 0.02) = 1.708% kept HZ2 TRP 51 - HG3 ARG+ 84 7.143% * 0.3540% (0.61 0.02 0.02) = 0.354% HN ARG+ 84 - HG12 ILE 101 7.143% * 0.1559% (0.27 0.02 0.02) = 0.156% HZ PHE 34 - HG12 ILE 101 7.143% * 0.1508% (0.26 0.02 0.02) = 0.151% HN ILE 48 - HG12 ILE 101 7.143% * 0.0268% (0.05 0.02 0.20) = 0.027% Peak 3496 (9.31, 1.57, 26.98 ppm): 2 chemical-shift based assignments, quality = 0.832, support = 2.7, residual support = 11.2: HN ILE 29 - HG LEU 17 50.000% * 99.6385% (0.84 2.71 11.28) = 99.638% kept HN LEU 23 - HG LEU 17 50.000% * 0.3615% (0.41 0.02 0.19) = 0.362% Peak 3499 (8.50, 1.58, 27.31 ppm): 2 chemical-shift based assignments, quality = 0.11, support = 4.32, residual support = 23.6: HN GLU- 18 - HG LEU 17 50.000% * 87.5420% (0.10 4.86 26.99) = 87.542% kept HN GLU- 10 - HG LEU 17 50.000% * 12.4580% (0.15 0.48 0.12) = 12.458% kept Peak 3500 (8.98, 1.58, 27.31 ppm): 3 chemical-shift based assignments, quality = 0.115, support = 3.75, residual support = 57.8: HN LEU 17 - HG LEU 17 33.333% * 63.8739% (0.07 5.40 89.64) = 63.874% kept HN ILE 19 - HG LEU 17 33.333% * 31.0078% (0.20 0.93 1.73) = 31.008% kept HN MET 97 - HG LEU 17 33.333% * 5.1183% (0.11 0.27 0.02) = 5.118% kept 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): 6 chemical-shift based assignments, quality = 0.741, support = 2.8, residual support = 17.1: O HN GLU- 54 - HB3 GLU- 54 16.667% * 98.9618% (0.75 10.0 2.83 17.29) = 98.962% kept HN LYS+ 66 - HB3 GLU- 54 16.667% * 0.9690% (0.81 1.0 0.18 0.02) = 0.969% HN LYS+ 66 - HB3 GLU- 45 16.667% * 0.0278% (0.21 1.0 0.02 0.02) = 0.028% HN GLU- 54 - HB3 GLU- 45 16.667% * 0.0258% (0.20 1.0 0.02 0.02) = 0.026% HN LYS+ 66 - HB2 GLU- 45 16.667% * 0.0081% (0.06 1.0 0.02 0.02) = 0.008% HN GLU- 54 - HB2 GLU- 45 16.667% * 0.0075% (0.06 1.0 0.02 0.02) = 0.008% Peak 3503 (4.25, 2.01, 28.93 ppm): 63 chemical-shift based assignments, quality = 0.688, support = 2.16, residual support = 15.8: O HA GLU- 54 - HB3 GLU- 54 1.587% * 91.0415% (0.75 10.0 2.32 17.29) = 91.041% kept HA ALA 42 - HB3 GLU- 45 1.587% * 1.4209% (0.16 1.0 1.48 1.65) = 1.421% kept HA SER 49 - HB3 GLU- 45 1.587% * 1.3016% (0.14 1.0 1.52 3.80) = 1.302% kept HA GLU- 10 - HB3 GLU- 45 1.587% * 1.0796% (0.20 1.0 0.91 0.02) = 1.080% kept HA GLU- 64 - HB3 GLU- 54 1.587% * 0.9357% (0.41 1.0 0.38 0.12) = 0.936% HA GLU- 18 - HB3 GLU- 45 1.587% * 0.9125% (0.13 1.0 1.14 0.58) = 0.912% HA SER 49 - HB2 GLU- 45 1.587% * 0.4081% (0.04 1.0 1.64 3.80) = 0.408% HA LYS+ 108 - HB3 GLU- 45 1.587% * 0.4078% (0.20 1.0 0.34 0.02) = 0.408% HA ALA 42 - HB2 GLU- 45 1.587% * 0.3861% (0.05 1.0 1.38 1.65) = 0.386% HA GLU- 10 - HB2 GLU- 45 1.587% * 0.2961% (0.06 1.0 0.86 0.02) = 0.296% HA GLU- 18 - HB2 GLU- 45 1.587% * 0.2409% (0.04 1.0 1.03 0.58) = 0.241% HA ALA 11 - HB2 GLU- 45 1.587% * 0.1336% (0.06 1.0 0.38 0.87) = 0.134% HA PRO 59 - HB3 GLU- 54 1.587% * 0.1015% (0.84 1.0 0.02 0.02) = 0.102% HA ALA 11 - HB3 GLU- 54 1.587% * 0.0937% (0.77 1.0 0.02 0.02) = 0.094% HA LYS+ 108 - HB3 GLU- 54 1.587% * 0.0910% (0.75 1.0 0.02 0.02) = 0.091% HA GLU- 10 - HB3 GLU- 54 1.587% * 0.0910% (0.75 1.0 0.02 0.02) = 0.091% HA LYS+ 108 - HB2 GLU- 45 1.587% * 0.0895% (0.06 1.0 0.26 0.02) = 0.089% HA ASN 76 - HB3 GLU- 54 1.587% * 0.0881% (0.72 1.0 0.02 0.02) = 0.088% HA GLU- 107 - HB3 GLU- 54 1.587% * 0.0848% (0.70 1.0 0.02 0.02) = 0.085% HA GLU- 56 - HB3 GLU- 54 1.587% * 0.0813% (0.67 1.0 0.02 0.02) = 0.081% HA ALA 42 - HB3 GLU- 54 1.587% * 0.0737% (0.61 1.0 0.02 0.02) = 0.074% HA SER 49 - HB3 GLU- 54 1.587% * 0.0657% (0.54 1.0 0.02 0.02) = 0.066% HA GLU- 18 - HB3 GLU- 54 1.587% * 0.0616% (0.51 1.0 0.02 0.18) = 0.062% HA GLU- 75 - HB3 GLU- 54 1.587% * 0.0534% (0.44 1.0 0.02 0.18) = 0.053% HB3 SER 49 - HB3 GLU- 54 1.587% * 0.0361% (0.30 1.0 0.02 0.02) = 0.036% HA GLU- 12 - HB3 GLU- 45 1.587% * 0.0269% (0.04 1.0 0.10 0.02) = 0.027% HA PRO 59 - HB3 GLU- 45 1.587% * 0.0265% (0.22 1.0 0.02 0.02) = 0.026% HA ALA 11 - HB3 GLU- 45 1.587% * 0.0245% (0.20 1.0 0.02 0.87) = 0.024% HA GLU- 54 - HB3 GLU- 45 1.587% * 0.0238% (0.20 1.0 0.02 0.02) = 0.024% HA ASN 76 - HB3 GLU- 45 1.587% * 0.0230% (0.19 1.0 0.02 0.02) = 0.023% HA VAL 65 - HB3 GLU- 54 1.587% * 0.0226% (0.19 1.0 0.02 0.02) = 0.023% HA GLU- 107 - HB3 GLU- 45 1.587% * 0.0221% (0.18 1.0 0.02 0.02) = 0.022% HA GLU- 56 - HB3 GLU- 45 1.587% * 0.0212% (0.17 1.0 0.02 0.02) = 0.021% HA GLU- 12 - HB3 GLU- 54 1.587% * 0.0201% (0.17 1.0 0.02 0.02) = 0.020% HA ARG+ 84 - HB3 GLU- 54 1.587% * 0.0178% (0.15 1.0 0.02 0.02) = 0.018% HD3 PRO 59 - HB3 GLU- 54 1.587% * 0.0178% (0.15 1.0 0.02 0.02) = 0.018% HA PRO 52 - HB3 GLU- 54 1.587% * 0.0178% (0.15 1.0 0.02 0.73) = 0.018% HA SER 85 - HB3 GLU- 54 1.587% * 0.0178% (0.15 1.0 0.02 0.02) = 0.018% HA VAL 94 - HB3 GLU- 54 1.587% * 0.0157% (0.13 1.0 0.02 0.02) = 0.016% HA GLU- 75 - HB3 GLU- 45 1.587% * 0.0139% (0.11 1.0 0.02 0.02) = 0.014% HA GLU- 64 - HB3 GLU- 45 1.587% * 0.0129% (0.11 1.0 0.02 1.10) = 0.013% HB3 SER 49 - HB3 GLU- 45 1.587% * 0.0094% (0.08 1.0 0.02 3.80) = 0.009% HA GLU- 12 - HB2 GLU- 45 1.587% * 0.0091% (0.01 1.0 0.12 0.02) = 0.009% HA PRO 59 - HB2 GLU- 45 1.587% * 0.0077% (0.06 1.0 0.02 0.02) = 0.008% HA GLU- 54 - HB2 GLU- 45 1.587% * 0.0069% (0.06 1.0 0.02 0.02) = 0.007% HA ASN 76 - HB2 GLU- 45 1.587% * 0.0067% (0.06 1.0 0.02 0.02) = 0.007% HA GLU- 107 - HB2 GLU- 45 1.587% * 0.0064% (0.05 1.0 0.02 0.02) = 0.006% HA GLU- 56 - HB2 GLU- 45 1.587% * 0.0062% (0.05 1.0 0.02 0.02) = 0.006% HA VAL 65 - HB3 GLU- 45 1.587% * 0.0059% (0.05 1.0 0.02 0.02) = 0.006% HA SER 85 - HB3 GLU- 45 1.587% * 0.0046% (0.04 1.0 0.02 0.02) = 0.005% HD3 PRO 59 - HB3 GLU- 45 1.587% * 0.0046% (0.04 1.0 0.02 0.02) = 0.005% HA PRO 52 - HB3 GLU- 45 1.587% * 0.0046% (0.04 1.0 0.02 0.02) = 0.005% HA ARG+ 84 - HB3 GLU- 45 1.587% * 0.0046% (0.04 1.0 0.02 0.02) = 0.005% HA VAL 94 - HB3 GLU- 45 1.587% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% HA GLU- 75 - HB2 GLU- 45 1.587% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% HA GLU- 64 - HB2 GLU- 45 1.587% * 0.0038% (0.03 1.0 0.02 1.10) = 0.004% HB3 SER 49 - HB2 GLU- 45 1.587% * 0.0027% (0.02 1.0 0.02 3.80) = 0.003% HA VAL 65 - HB2 GLU- 45 1.587% * 0.0017% (0.01 1.0 0.02 0.02) = 0.002% HA PRO 52 - HB2 GLU- 45 1.587% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% HD3 PRO 59 - HB2 GLU- 45 1.587% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% HA ARG+ 84 - HB2 GLU- 45 1.587% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% HA SER 85 - HB2 GLU- 45 1.587% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% HA VAL 94 - HB2 GLU- 45 1.587% * 0.0012% (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): 4 chemical-shift based assignments, quality = 0.351, support = 2.96, residual support = 19.5: O HN GLU- 50 - HB3 GLU- 50 25.000% * 99.4638% (0.35 10.0 2.97 19.56) = 99.464% kept HN ALA 103 - HB3 GLU- 50 25.000% * 0.2025% (0.72 1.0 0.02 0.02) = 0.203% HN LYS+ 108 - HB3 GLU- 50 25.000% * 0.1933% (0.69 1.0 0.02 0.02) = 0.193% HN GLY 71 - HB3 GLU- 50 25.000% * 0.1404% (0.50 1.0 0.02 0.02) = 0.140% 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 3510 (4.21, 1.90, 30.28 ppm): 28 chemical-shift based assignments, quality = 0.356, support = 0.157, residual support = 0.0188: HB3 SER 49 - HD3 LYS+ 63 3.571% * 19.3284% (0.63 1.00 0.16 0.02) = 19.328% kept HA SER 49 - HB3 ARG+ 53 3.571% * 19.2110% (0.24 1.00 0.41 0.02) = 19.211% kept HA SER 49 - HD3 LYS+ 63 3.571% * 12.2019% (0.23 1.00 0.28 0.02) = 12.202% kept T HA ASP- 82 - HB2 GLU- 75 3.571% * 9.2398% (0.06 10.00 0.08 0.02) = 9.240% kept T HA ASP- 82 - HB2 GLU- 10 3.571% * 8.1103% (0.21 10.00 0.02 0.02) = 8.110% kept T HA GLU- 12 - HB2 GLU- 10 3.571% * 5.8893% (0.15 10.00 0.02 0.02) = 5.889% kept HA ASP- 82 - HB3 ARG+ 53 3.571% * 3.7484% (0.97 1.00 0.02 0.02) = 3.748% kept HA ASP- 82 - HD3 LYS+ 63 3.571% * 3.5497% (0.92 1.00 0.02 0.02) = 3.550% kept HA GLU- 12 - HB3 ARG+ 53 3.571% * 2.7219% (0.70 1.00 0.02 0.02) = 2.722% kept HB3 SER 49 - HB3 ARG+ 53 3.571% * 2.5913% (0.67 1.00 0.02 0.02) = 2.591% kept HA GLU- 12 - HD3 LYS+ 63 3.571% * 2.5776% (0.67 1.00 0.02 0.02) = 2.578% kept T HA GLU- 18 - HB2 GLU- 10 3.571% * 2.2550% (0.06 10.00 0.02 0.02) = 2.255% kept T HA GLU- 12 - HB2 GLU- 75 3.571% * 1.6425% (0.04 10.00 0.02 0.02) = 1.642% kept HA GLU- 18 - HB3 ARG+ 53 3.571% * 1.0422% (0.27 1.00 0.02 0.02) = 1.042% kept HA GLU- 18 - HD3 LYS+ 63 3.571% * 0.9869% (0.26 1.00 0.02 0.02) = 0.987% HA ALA 42 - HB3 ARG+ 53 3.571% * 0.7418% (0.19 1.00 0.02 0.02) = 0.742% HA VAL 73 - HB3 ARG+ 53 3.571% * 0.7418% (0.19 1.00 0.02 0.02) = 0.742% HA ALA 42 - HD3 LYS+ 63 3.571% * 0.7025% (0.18 1.00 0.02 0.02) = 0.702% HA VAL 73 - HD3 LYS+ 63 3.571% * 0.7025% (0.18 1.00 0.02 0.02) = 0.702% T HA GLU- 18 - HB2 GLU- 75 3.571% * 0.6289% (0.02 10.00 0.02 0.02) = 0.629% HB3 SER 49 - HB2 GLU- 10 3.571% * 0.5607% (0.15 1.00 0.02 0.02) = 0.561% HA SER 49 - HB2 GLU- 10 3.571% * 0.2022% (0.05 1.00 0.02 0.02) = 0.202% HA ALA 42 - HB2 GLU- 10 3.571% * 0.1605% (0.04 1.00 0.02 0.02) = 0.161% HA VAL 73 - HB2 GLU- 10 3.571% * 0.1605% (0.04 1.00 0.02 0.02) = 0.161% HB3 SER 49 - HB2 GLU- 75 3.571% * 0.1564% (0.04 1.00 0.02 0.27) = 0.156% HA SER 49 - HB2 GLU- 75 3.571% * 0.0564% (0.01 1.00 0.02 0.27) = 0.056% HA ALA 42 - HB2 GLU- 75 3.571% * 0.0448% (0.01 1.00 0.02 0.02) = 0.045% HA VAL 73 - HB2 GLU- 75 3.571% * 0.0448% (0.01 1.00 0.02 0.02) = 0.045% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3511 (2.25, 1.90, 30.28 ppm): 60 chemical-shift based assignments, quality = 0.29, support = 1.89, residual support = 14.0: O HG3 GLU- 10 - HB2 GLU- 10 1.667% * 53.0280% (0.18 10.0 2.27 14.46) = 53.028% kept HG3 GLU- 54 - HB3 ARG+ 53 1.667% * 16.8078% (0.81 1.0 1.37 28.15) = 16.808% kept HB3 PRO 52 - HB3 ARG+ 53 1.667% * 10.1364% (0.33 1.0 2.03 7.20) = 10.136% kept O HG3 GLU- 75 - HB2 GLU- 75 1.667% * 7.2789% (0.02 10.0 2.87 10.58) = 7.279% kept HB3 PRO 35 - HD3 LYS+ 63 1.667% * 2.2256% (0.84 1.0 0.18 0.02) = 2.226% kept HB3 PRO 35 - HB2 GLU- 75 1.667% * 1.7716% (0.05 1.0 2.19 2.60) = 1.772% kept HG3 GLU- 75 - HB3 ARG+ 53 1.667% * 1.5428% (0.40 1.0 0.26 0.42) = 1.543% kept HG3 GLU- 54 - HD3 LYS+ 63 1.667% * 0.9543% (0.77 1.0 0.08 0.38) = 0.954% HG3 GLU- 18 - HB3 ARG+ 53 1.667% * 0.8589% (0.15 1.0 0.38 0.02) = 0.859% HA1 GLY 58 - HB2 GLU- 75 1.667% * 0.5517% (0.03 1.0 1.43 0.59) = 0.552% HB3 ASN 15 - HB3 ARG+ 53 1.667% * 0.2776% (0.92 1.0 0.02 0.02) = 0.278% HB3 PRO 35 - HB3 ARG+ 53 1.667% * 0.2684% (0.89 1.0 0.02 0.02) = 0.268% HG3 GLU- 107 - HB3 ARG+ 53 1.667% * 0.2631% (0.87 1.0 0.02 0.02) = 0.263% HB3 ASN 15 - HD3 LYS+ 63 1.667% * 0.2628% (0.87 1.0 0.02 0.02) = 0.263% HG2 GLU- 56 - HB3 ARG+ 53 1.667% * 0.2545% (0.84 1.0 0.02 0.02) = 0.255% HG3 GLU- 107 - HD3 LYS+ 63 1.667% * 0.2492% (0.82 1.0 0.02 0.02) = 0.249% HG3 GLU- 10 - HB3 ARG+ 53 1.667% * 0.2451% (0.81 1.0 0.02 0.02) = 0.245% HG2 GLU- 56 - HD3 LYS+ 63 1.667% * 0.2410% (0.80 1.0 0.02 0.02) = 0.241% HG3 GLU- 10 - HD3 LYS+ 63 1.667% * 0.2321% (0.77 1.0 0.02 0.02) = 0.232% HG3 GLU- 56 - HB3 ARG+ 53 1.667% * 0.2242% (0.74 1.0 0.02 0.02) = 0.224% HG3 GLU- 56 - HD3 LYS+ 63 1.667% * 0.2123% (0.70 1.0 0.02 0.02) = 0.212% HG2 GLU- 64 - HB3 ARG+ 53 1.667% * 0.1876% (0.62 1.0 0.02 0.02) = 0.188% HG2 GLU- 64 - HD3 LYS+ 63 1.667% * 0.1777% (0.59 1.0 0.02 15.02) = 0.178% HB VAL 80 - HB3 ARG+ 53 1.667% * 0.1428% (0.47 1.0 0.02 0.02) = 0.143% HB VAL 80 - HD3 LYS+ 63 1.667% * 0.1352% (0.45 1.0 0.02 0.02) = 0.135% HA1 GLY 58 - HB3 ARG+ 53 1.667% * 0.1275% (0.42 1.0 0.02 0.02) = 0.127% HA1 GLY 58 - HD3 LYS+ 63 1.667% * 0.1207% (0.40 1.0 0.02 0.02) = 0.121% HG3 GLU- 75 - HD3 LYS+ 63 1.667% * 0.1142% (0.38 1.0 0.02 0.02) = 0.114% HG3 GLU- 64 - HB3 ARG+ 53 1.667% * 0.0974% (0.32 1.0 0.02 0.02) = 0.097% HB3 PRO 52 - HD3 LYS+ 63 1.667% * 0.0948% (0.31 1.0 0.02 0.02) = 0.095% HG3 GLU- 64 - HD3 LYS+ 63 1.667% * 0.0922% (0.30 1.0 0.02 15.02) = 0.092% HG3 GLN 102 - HB3 ARG+ 53 1.667% * 0.0653% (0.22 1.0 0.02 0.02) = 0.065% HG3 GLN 102 - HD3 LYS+ 63 1.667% * 0.0619% (0.20 1.0 0.02 0.02) = 0.062% HB3 ASN 15 - HB2 GLU- 10 1.667% * 0.0601% (0.20 1.0 0.02 0.02) = 0.060% HB3 PRO 35 - HB2 GLU- 10 1.667% * 0.0581% (0.19 1.0 0.02 0.02) = 0.058% HG3 GLU- 107 - HB2 GLU- 10 1.667% * 0.0569% (0.19 1.0 0.02 0.02) = 0.057% HG2 GLU- 56 - HB2 GLU- 10 1.667% * 0.0551% (0.18 1.0 0.02 0.02) = 0.055% HG3 GLU- 54 - HB2 GLU- 10 1.667% * 0.0530% (0.18 1.0 0.02 0.02) = 0.053% HG3 GLU- 56 - HB2 GLU- 10 1.667% * 0.0485% (0.16 1.0 0.02 0.02) = 0.049% HG3 GLU- 18 - HD3 LYS+ 63 1.667% * 0.0429% (0.14 1.0 0.02 0.02) = 0.043% HG2 GLU- 64 - HB2 GLU- 10 1.667% * 0.0406% (0.13 1.0 0.02 0.02) = 0.041% HB VAL 80 - HB2 GLU- 10 1.667% * 0.0309% (0.10 1.0 0.02 0.02) = 0.031% HA1 GLY 58 - HB2 GLU- 10 1.667% * 0.0276% (0.09 1.0 0.02 0.02) = 0.028% HG3 GLU- 75 - HB2 GLU- 10 1.667% * 0.0261% (0.09 1.0 0.02 0.02) = 0.026% HB3 PRO 52 - HB2 GLU- 10 1.667% * 0.0217% (0.07 1.0 0.02 0.02) = 0.022% HG3 GLU- 64 - HB2 GLU- 10 1.667% * 0.0211% (0.07 1.0 0.02 0.02) = 0.021% HB3 ASN 15 - HB2 GLU- 75 1.667% * 0.0167% (0.06 1.0 0.02 0.17) = 0.017% HG3 GLU- 107 - HB2 GLU- 75 1.667% * 0.0159% (0.05 1.0 0.02 0.02) = 0.016% HG2 GLU- 56 - HB2 GLU- 75 1.667% * 0.0154% (0.05 1.0 0.02 0.02) = 0.015% HG3 GLU- 54 - HB2 GLU- 75 1.667% * 0.0148% (0.05 1.0 0.02 0.18) = 0.015% HG3 GLU- 10 - HB2 GLU- 75 1.667% * 0.0148% (0.05 1.0 0.02 0.02) = 0.015% HG3 GLN 102 - HB2 GLU- 10 1.667% * 0.0141% (0.05 1.0 0.02 0.02) = 0.014% HG3 GLU- 56 - HB2 GLU- 75 1.667% * 0.0135% (0.04 1.0 0.02 0.02) = 0.014% HG2 GLU- 64 - HB2 GLU- 75 1.667% * 0.0113% (0.04 1.0 0.02 0.02) = 0.011% HG3 GLU- 18 - HB2 GLU- 10 1.667% * 0.0098% (0.03 1.0 0.02 0.02) = 0.010% HB VAL 80 - HB2 GLU- 75 1.667% * 0.0086% (0.03 1.0 0.02 0.02) = 0.009% HB3 PRO 52 - HB2 GLU- 75 1.667% * 0.0060% (0.02 1.0 0.02 0.02) = 0.006% HG3 GLU- 64 - HB2 GLU- 75 1.667% * 0.0059% (0.02 1.0 0.02 0.02) = 0.006% HG3 GLN 102 - HB2 GLU- 75 1.667% * 0.0039% (0.01 1.0 0.02 0.66) = 0.004% HG3 GLU- 18 - HB2 GLU- 75 1.667% * 0.0027% (0.01 1.0 0.02 0.02) = 0.003% 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): 15 chemical-shift based assignments, quality = 0.551, support = 2.3, residual support = 24.0: HA ILE 101 - HB3 GLN 102 6.667% * 87.1603% (0.59 2.56 27.51) = 87.160% kept HA HIS+ 98 - HB3 GLN 102 6.667% * 11.8171% (0.34 0.59 0.02) = 11.817% kept HA ILE 101 - HB3 GLN 16 6.667% * 0.1686% (0.14 0.02 0.02) = 0.169% HA ALA 33 - HB3 GLN 102 6.667% * 0.1563% (0.13 0.02 0.76) = 0.156% HA ILE 101 - HB3 GLU- 56 6.667% * 0.1295% (0.11 0.02 0.02) = 0.129% HA ILE 101 - HB2 GLU- 75 6.667% * 0.1222% (0.10 0.02 1.65) = 0.122% HA HIS+ 98 - HB3 GLN 16 6.667% * 0.0989% (0.08 0.02 0.02) = 0.099% HA HIS+ 98 - HB3 GLU- 56 6.667% * 0.0760% (0.07 0.02 0.02) = 0.076% HA HIS+ 98 - HB2 GLU- 75 6.667% * 0.0717% (0.06 0.02 0.02) = 0.072% HA ILE 101 - HB2 GLU- 10 6.667% * 0.0568% (0.05 0.02 0.02) = 0.057% HA ALA 33 - HB3 GLN 16 6.667% * 0.0386% (0.03 0.02 4.49) = 0.039% HA HIS+ 98 - HB2 GLU- 10 6.667% * 0.0333% (0.03 0.02 0.02) = 0.033% HA ALA 33 - HB3 GLU- 56 6.667% * 0.0297% (0.03 0.02 0.02) = 0.030% HA ALA 33 - HB2 GLU- 75 6.667% * 0.0280% (0.02 0.02 0.02) = 0.028% HA ALA 33 - HB2 GLU- 10 6.667% * 0.0130% (0.01 0.02 0.02) = 0.013% Peak 3514 (8.50, 2.03, 31.51 ppm): 4 chemical-shift based assignments, quality = 0.0721, support = 5.32, residual support = 32.2: O HN GLU- 18 - HB2 GLU- 18 25.000% * 94.0618% (0.06 10.0 5.65 34.18) = 94.062% kept HN GLU- 10 - HB2 GLU- 18 25.000% * 2.4911% (0.09 1.0 0.36 0.02) = 2.491% kept HN GLU- 10 - HB3 GLU- 75 25.000% * 2.1594% (0.32 1.0 0.09 0.02) = 2.159% kept HN GLU- 18 - HB3 GLU- 75 25.000% * 1.2877% (0.22 1.0 0.08 0.02) = 1.288% kept Peak 3516 (8.18, 2.49, 31.14 ppm): 3 chemical-shift based assignments, quality = 0.693, support = 2.75, residual support = 14.9: HN SER 41 - HB VAL 40 33.333% * 92.2146% (0.72 2.95 16.16) = 92.215% kept HN SER 77 - HB VAL 40 33.333% * 5.5613% (0.25 0.52 0.02) = 5.561% kept HN ALA 33 - HB VAL 40 33.333% * 2.2241% (0.52 0.10 0.02) = 2.224% kept Peak 3517 (4.81, 2.03, 31.51 ppm): 6 chemical-shift based assignments, quality = 0.301, support = 1.56, residual support = 2.64: HA LEU 23 - HB3 GLU- 75 16.667% * 35.9359% (0.51 1.00 1.32) = 35.936% kept HA LEU 23 - HB2 GLU- 18 16.667% * 31.4039% (0.17 2.62 5.70) = 31.404% kept HB THR 39 - HB2 GLU- 18 16.667% * 17.2878% (0.14 1.78 1.99) = 17.288% kept HB THR 39 - HB3 GLU- 75 16.667% * 8.6909% (0.41 0.30 0.14) = 8.691% kept HA ASN 15 - HB3 GLU- 75 16.667% * 3.6232% (0.13 0.40 0.17) = 3.623% kept HA ASN 15 - HB2 GLU- 18 16.667% * 3.0583% (0.04 1.01 0.33) = 3.058% kept Peak 3518 (2.48, 2.48, 31.16 ppm): 1 diagonal assignment: HB VAL 40 - HB VAL 40 (0.98) kept Peak 3519 (0.71, 1.33, 30.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3520 (0.72, 1.22, 30.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3521 (1.35, 1.33, 30.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3522 (1.34, 1.22, 30.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3523 (1.64, 1.22, 30.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3524 (1.65, 1.33, 30.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3525 (4.93, 1.22, 30.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3526 (4.93, 1.33, 30.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3527 (5.19, 1.33, 30.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3528 (5.19, 1.22, 30.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3529 (8.96, 1.22, 30.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3530 (8.96, 1.33, 30.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3531 (8.97, 1.72, 31.20 ppm): 4 chemical-shift based assignments, quality = 0.564, support = 2.23, residual support = 13.1: HN LEU 17 - HB2 GLN 16 25.000% * 61.7456% (0.44 3.29 21.02) = 61.746% kept HN ILE 19 - HB2 GLN 16 25.000% * 19.5200% (0.95 0.48 0.47) = 19.520% kept HN MET 97 - HB2 GLN 16 25.000% * 15.6597% (0.64 0.58 0.17) = 15.660% kept HN ARG+ 22 - HB2 GLN 16 25.000% * 3.0747% (0.13 0.54 0.02) = 3.075% kept Peak 3532 (8.37, 1.92, 30.87 ppm): 15 chemical-shift based assignments, quality = 0.253, support = 2.22, residual support = 6.8: HN ALA 103 - HB3 GLN 102 6.667% * 79.3013% (0.22 2.78 8.57) = 79.301% kept HN GLY 71 - HB3 GLN 102 6.667% * 11.4196% (0.57 0.15 0.02) = 11.420% kept HN LYS+ 108 - HB3 GLN 102 6.667% * 4.2540% (0.38 0.08 0.02) = 4.254% kept HN ALA 103 - HB3 GLN 16 6.667% * 1.0795% (0.03 0.24 0.02) = 1.080% kept HN GLY 71 - HB2 GLU- 75 6.667% * 0.9403% (0.36 0.02 0.02) = 0.940% HN LYS+ 108 - HB2 GLU- 75 6.667% * 0.6359% (0.24 0.02 0.02) = 0.636% HN GLY 71 - HB3 GLU- 56 6.667% * 0.4945% (0.19 0.02 0.02) = 0.495% HN ALA 103 - HB2 GLU- 75 6.667% * 0.3576% (0.14 0.02 0.02) = 0.358% HN LYS+ 108 - HB3 GLU- 56 6.667% * 0.3345% (0.13 0.02 0.02) = 0.334% HN GLY 71 - HB2 GLU- 10 6.667% * 0.2885% (0.11 0.02 0.02) = 0.289% HN GLY 71 - HB3 GLN 16 6.667% * 0.2393% (0.09 0.02 0.02) = 0.239% HN LYS+ 108 - HB2 GLU- 10 6.667% * 0.1951% (0.07 0.02 0.02) = 0.195% HN ALA 103 - HB3 GLU- 56 6.667% * 0.1881% (0.07 0.02 0.02) = 0.188% HN LYS+ 108 - HB3 GLN 16 6.667% * 0.1619% (0.06 0.02 0.02) = 0.162% HN ALA 103 - HB2 GLU- 10 6.667% * 0.1097% (0.04 0.02 0.02) = 0.110% Peak 3533 (8.79, 1.72, 31.20 ppm): 4 chemical-shift based assignments, quality = 0.569, support = 1.56, residual support = 0.576: HN THR 95 - HB2 GLN 16 25.000% * 51.1619% (0.89 0.79 0.52) = 51.162% kept HN PHE 34 - HB2 GLN 16 25.000% * 42.8715% (0.22 2.66 0.72) = 42.871% kept HN ASN 57 - HB2 GLN 16 25.000% * 4.5335% (0.15 0.41 0.02) = 4.534% kept HN SER 69 - HB2 GLN 16 25.000% * 1.4331% (0.98 0.02 0.02) = 1.433% kept Peak 3534 (8.50, 1.77, 31.52 ppm): 3 chemical-shift based assignments, quality = 0.151, support = 5.47, residual support = 33.4: O HN GLU- 18 - HB3 GLU- 18 33.333% * 97.6047% (0.15 10.0 5.60 34.18) = 97.605% kept HN GLU- 10 - HB3 GLU- 18 33.333% * 2.3651% (0.20 1.0 0.36 0.02) = 2.365% kept HN GLY 92 - HB3 GLU- 18 33.333% * 0.0302% (0.05 1.0 0.02 0.02) = 0.030% Peak 3535 (3.88, 2.58, 32.91 ppm): 8 chemical-shift based assignments, quality = 0.113, support = 1.29, residual support = 1.28: O T HD3 PRO 35 - HB3 PRO 35 12.500% * 61.6443% (0.13 10.0 10.00 1.00 1.37) = 61.644% kept T HA GLU- 45 - HB3 PRO 35 12.500% * 37.4221% (0.09 1.0 10.00 1.81 1.17) = 37.422% kept T HD2 PRO 86 - HB3 PRO 35 12.500% * 0.6388% (0.14 1.0 10.00 0.02 0.02) = 0.639% HB3 SER 77 - HB3 PRO 35 12.500% * 0.1987% (0.05 1.0 1.00 0.17 0.02) = 0.199% HB3 SER 27 - HB3 PRO 35 12.500% * 0.0387% (0.08 1.0 1.00 0.02 0.02) = 0.039% HB2 SER 85 - HB3 PRO 35 12.500% * 0.0218% (0.05 1.0 1.00 0.02 0.02) = 0.022% HB3 SER 88 - HB3 PRO 35 12.500% * 0.0197% (0.04 1.0 1.00 0.02 0.02) = 0.020% HB2 SER 77 - HB3 PRO 35 12.500% * 0.0159% (0.03 1.0 1.00 0.02 0.02) = 0.016% Not enough quality. Peak unassigned. 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): 6 chemical-shift based assignments, quality = 0.57, support = 2.34, residual support = 5.49: HG LEU 23 - HB2 HIS+ 98 16.667% * 34.8663% (0.66 2.58 4.09) = 34.866% kept HB ILE 68 - HB2 HIS+ 98 16.667% * 27.1912% (0.62 2.16 12.21) = 27.191% kept HB3 ARG+ 22 - HB2 HIS+ 98 16.667% * 23.2804% (0.36 3.16 3.14) = 23.280% kept HG12 ILE 101 - HB2 HIS+ 98 16.667% * 12.1304% (0.63 0.94 0.11) = 12.130% kept HG3 LYS+ 78 - HB2 HIS+ 98 16.667% * 2.2805% (0.44 0.25 0.02) = 2.280% kept HG LEU 43 - HB2 HIS+ 98 16.667% * 0.2513% (0.62 0.02 0.02) = 0.251% Peak 3538 (1.36, 2.91, 31.92 ppm): 8 chemical-shift based assignments, quality = 0.626, support = 1.97, residual support = 2.41: HB3 LYS+ 20 - HB2 HIS+ 98 12.500% * 34.4368% (0.69 2.45 1.85) = 34.437% kept HG3 ARG+ 22 - HB2 HIS+ 98 12.500% * 33.6517% (0.62 2.66 3.14) = 33.652% kept HG3 LYS+ 81 - HB2 HIS+ 98 12.500% * 10.8491% (0.62 0.86 0.26) = 10.849% kept HB3 LEU 17 - HB2 HIS+ 98 12.500% * 10.1602% (0.66 0.75 0.88) = 10.160% kept QB ALA 11 - HB2 HIS+ 98 12.500% * 5.0678% (0.68 0.36 0.02) = 5.068% kept HG13 ILE 68 - HB2 HIS+ 98 12.500% * 4.8728% (0.28 0.84 12.21) = 4.873% kept QG2 THR 39 - HB2 HIS+ 98 12.500% * 0.7358% (0.42 0.09 0.02) = 0.736% HG2 LYS+ 78 - HB2 HIS+ 98 12.500% * 0.2259% (0.55 0.02 0.02) = 0.226% Peak 3539 (0.74, 2.91, 31.92 ppm): 7 chemical-shift based assignments, quality = 0.521, support = 1.06, residual support = 4.99: QD1 ILE 68 - HB2 HIS+ 98 14.286% * 39.0586% (0.57 1.48 12.21) = 39.059% kept QG2 ILE 48 - HB2 HIS+ 98 14.286% * 20.4103% (0.38 1.15 0.68) = 20.410% kept HG3 LYS+ 66 - HB2 HIS+ 98 14.286% * 19.7803% (0.69 0.62 0.37) = 19.780% kept QG1 VAL 40 - HB2 HIS+ 98 14.286% * 11.0788% (0.55 0.44 0.02) = 11.079% kept QG2 ILE 101 - HB2 HIS+ 98 14.286% * 9.1737% (0.23 0.88 0.11) = 9.174% kept HG3 LYS+ 44 - HB2 HIS+ 98 14.286% * 0.2605% (0.28 0.02 0.02) = 0.260% HG LEU 74 - HB2 HIS+ 98 14.286% * 0.2378% (0.26 0.02 0.02) = 0.238% 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): 11 chemical-shift based assignments, quality = 0.407, support = 1.96, residual support = 4.48: HB3 ARG+ 22 - HB3 HIS+ 98 9.091% * 37.0400% (0.61 2.34 3.14) = 37.040% kept HB ILE 68 - HB3 HIS+ 98 9.091% * 19.6204% (0.29 2.61 12.21) = 19.620% kept HG LEU 23 - HB3 HIS+ 98 9.091% * 16.2494% (0.36 1.71 4.09) = 16.249% kept HB3 MET 97 - HB3 HIS+ 98 9.091% * 9.1411% (0.20 1.77 2.64) = 9.141% kept HB ILE 100 - HB3 HIS+ 98 9.091% * 7.2919% (0.26 1.06 0.02) = 7.292% kept HG12 ILE 101 - HB3 HIS+ 98 9.091% * 6.9080% (0.31 0.85 0.11) = 6.908% kept HB3 LYS+ 66 - HB3 HIS+ 98 9.091% * 2.7952% (0.29 0.37 0.37) = 2.795% kept HB3 LYS+ 81 - HB3 HIS+ 98 9.091% * 0.6705% (0.10 0.26 0.26) = 0.670% HG LEU 43 - HB3 HIS+ 98 9.091% * 0.1503% (0.29 0.02 0.02) = 0.150% HG3 LYS+ 78 - HB3 HIS+ 98 9.091% * 0.0746% (0.14 0.02 0.02) = 0.075% HG3 ARG+ 84 - HB3 HIS+ 98 9.091% * 0.0587% (0.11 0.02 0.02) = 0.059% Peak 3542 (1.36, 3.15, 31.92 ppm): 8 chemical-shift based assignments, quality = 0.571, support = 1.45, residual support = 2.61: HG3 ARG+ 22 - HB3 HIS+ 98 12.500% * 31.4451% (0.57 2.02 3.14) = 31.445% kept HB3 LYS+ 20 - HB3 HIS+ 98 12.500% * 29.8218% (0.64 1.72 1.85) = 29.822% kept HB3 LEU 17 - HB3 HIS+ 98 12.500% * 16.5007% (0.62 0.99 0.88) = 16.501% kept HG3 LYS+ 81 - HB3 HIS+ 98 12.500% * 8.6090% (0.57 0.55 0.26) = 8.609% kept HG13 ILE 68 - HB3 HIS+ 98 12.500% * 7.3985% (0.26 1.04 12.21) = 7.399% kept HG2 LYS+ 78 - HB3 HIS+ 98 12.500% * 4.8282% (0.51 0.35 0.02) = 4.828% kept QG2 THR 39 - HB3 HIS+ 98 12.500% * 1.0526% (0.39 0.10 0.02) = 1.053% kept QB ALA 11 - HB3 HIS+ 98 12.500% * 0.3440% (0.63 0.02 0.02) = 0.344% Peak 3543 (0.74, 3.15, 31.92 ppm): 7 chemical-shift based assignments, quality = 0.513, support = 1.03, residual support = 4.31: QD1 ILE 68 - HB3 HIS+ 98 14.286% * 33.1520% (0.53 1.27 12.21) = 33.152% kept HG3 LYS+ 66 - HB3 HIS+ 98 14.286% * 32.4545% (0.64 1.04 0.37) = 32.454% kept QG2 ILE 48 - HB3 HIS+ 98 14.286% * 18.9751% (0.36 1.09 0.68) = 18.975% kept QG1 VAL 40 - HB3 HIS+ 98 14.286% * 9.3647% (0.51 0.38 0.02) = 9.365% kept QG2 ILE 101 - HB3 HIS+ 98 14.286% * 5.5640% (0.21 0.54 0.11) = 5.564% kept HG3 LYS+ 44 - HB3 HIS+ 98 14.286% * 0.2560% (0.26 0.02 0.02) = 0.256% HG LEU 74 - HB3 HIS+ 98 14.286% * 0.2337% (0.24 0.02 0.02) = 0.234% Peak 3544 (4.92, 3.15, 31.92 ppm): 2 chemical-shift based assignments, quality = 0.136, support = 3.17, residual support = 23.3: O HA HIS+ 98 - HB3 HIS+ 98 50.000% * 94.3714% (0.13 10.0 3.32 24.66) = 94.371% kept HA ILE 101 - HB3 HIS+ 98 50.000% * 5.6286% (0.29 1.0 0.53 0.11) = 5.629% kept Peak 3545 (8.31, 3.15, 31.92 ppm): 5 chemical-shift based assignments, quality = 0.57, support = 2.73, residual support = 10.1: HN VAL 99 - HB3 HIS+ 98 20.000% * 88.4963% (0.57 3.04 11.44) = 88.496% kept HN ALA 91 - HB3 HIS+ 98 20.000% * 10.7442% (0.57 0.37 0.12) = 10.744% kept HN ASN 76 - HB3 HIS+ 98 20.000% * 0.3679% (0.36 0.02 0.02) = 0.368% HN ASP- 28 - HB3 HIS+ 98 20.000% * 0.2914% (0.29 0.02 0.02) = 0.291% HN ASN 89 - HB3 HIS+ 98 20.000% * 0.1003% (0.10 0.02 0.02) = 0.100% Peak 3546 (9.46, 3.15, 31.92 ppm): 1 chemical-shift based assignment, quality = 0.489, support = 2.83, residual support = 24.7: O HN HIS+ 98 - HB3 HIS+ 98 100.000% *100.0000% (0.49 10.0 2.83 24.66) = 100.000% kept Peak 3547 (4.92, 2.91, 31.92 ppm): 2 chemical-shift based assignments, quality = 0.147, support = 3.06, residual support = 23.1: O HA HIS+ 98 - HB2 HIS+ 98 50.000% * 93.5275% (0.14 10.0 3.23 24.66) = 93.528% kept HA ILE 101 - HB2 HIS+ 98 50.000% * 6.4725% (0.31 1.0 0.61 0.11) = 6.472% kept Peak 3548 (8.31, 2.91, 31.92 ppm): 5 chemical-shift based assignments, quality = 0.613, support = 2.7, residual support = 8.86: HN VAL 99 - HB2 HIS+ 98 20.000% * 77.2453% (0.62 3.23 11.44) = 77.245% kept HN ALA 91 - HB2 HIS+ 98 20.000% * 22.1308% (0.62 0.92 0.12) = 22.131% kept HN ASN 76 - HB2 HIS+ 98 20.000% * 0.3022% (0.39 0.02 0.02) = 0.302% HN ASP- 28 - HB2 HIS+ 98 20.000% * 0.2393% (0.31 0.02 0.02) = 0.239% HN ASN 89 - HB2 HIS+ 98 20.000% * 0.0824% (0.11 0.02 0.02) = 0.082% Peak 3549 (9.47, 2.91, 31.92 ppm): 2 chemical-shift based assignments, quality = 0.687, support = 2.77, residual support = 24.7: O HN HIS+ 98 - HB2 HIS+ 98 50.000% * 99.9777% (0.69 10.0 2.77 24.66) = 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 = 4.19, residual support = 79.5: O HA TRP 51 - HB3 TRP 51 14.286% * 99.4312% (0.21 10.0 4.22 79.96) = 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 0.02) = 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 = 3.33, residual support = 79.9: O HE3 TRP 51 - HB3 TRP 51 50.000% * 99.9722% (0.36 10.0 3.33 79.96) = 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 = 3.58, residual support = 79.9: O HE3 TRP 51 - HB2 TRP 51 50.000% * 99.8673% (0.33 10.0 3.59 79.96) = 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 = 3.69, residual support = 76.0: O T HA TRP 51 - HB2 TRP 51 12.500% * 95.0737% (0.63 10.0 10.00 3.87 79.96) = 95.074% kept HA2 GLY 26 - HB2 TRP 51 12.500% * 2.0906% (0.67 1.0 1.00 0.41 0.02) = 2.091% kept HA SER 27 - HB2 TRP 51 12.500% * 1.6300% (0.52 1.0 1.00 0.41 0.02) = 1.630% kept T HA LYS+ 60 - HB2 TRP 51 12.500% * 0.9237% (0.61 1.0 10.00 0.02 0.02) = 0.924% HB THR 61 - HB2 TRP 51 12.500% * 0.1030% (0.68 1.0 1.00 0.02 0.02) = 0.103% HA ALA 37 - HB2 TRP 51 12.500% * 0.0825% (0.54 1.0 1.00 0.02 0.02) = 0.082% HA ALA 91 - HB2 TRP 51 12.500% * 0.0542% (0.36 1.0 1.00 0.02 0.02) = 0.054% HA SER 88 - HB2 TRP 51 12.500% * 0.0423% (0.28 1.0 1.00 0.02 0.02) = 0.042% Peak 3556 (8.23, 2.24, 29.25 ppm): 10 chemical-shift based assignments, quality = 0.431, support = 1.93, residual support = 3.89: HN GLU- 45 - HB2 GLU- 50 10.000% * 36.1268% (0.35 3.00 5.30) = 36.127% kept HN SER 49 - HB2 GLU- 50 10.000% * 27.9265% (0.53 1.52 5.55) = 27.927% kept HN GLY 58 - HB2 GLU- 50 10.000% * 25.1198% (0.46 1.58 1.69) = 25.120% kept HN ALA 11 - HB2 GLU- 50 10.000% * 3.4812% (0.40 0.26 0.02) = 3.481% kept HN GLU- 12 - HB2 GLU- 50 10.000% * 2.8692% (0.33 0.26 0.02) = 2.869% kept HN VAL 105 - HB2 GLU- 50 10.000% * 1.9901% (0.48 0.12 0.02) = 1.990% kept HN VAL 94 - HB2 GLU- 50 10.000% * 1.5679% (0.50 0.09 0.02) = 1.568% kept HN THR 106 - HB2 GLU- 50 10.000% * 0.3728% (0.10 0.11 0.02) = 0.373% HN LEU 67 - HB2 GLU- 50 10.000% * 0.2728% (0.40 0.02 0.02) = 0.273% HN LYS+ 81 - HB2 GLU- 50 10.000% * 0.2728% (0.40 0.02 0.02) = 0.273% Peak 3557 (7.79, 2.24, 29.25 ppm): 4 chemical-shift based assignments, quality = 0.521, support = 2.05, residual support = 1.59: HN THR 46 - HB2 GLU- 50 25.000% * 59.5066% (0.55 2.76 2.01) = 59.507% kept HN VAL 87 - HB2 GLU- 50 25.000% * 26.9909% (0.56 1.23 1.48) = 26.991% kept HN LYS+ 55 - HB2 GLU- 50 25.000% * 7.8535% (0.26 0.77 0.02) = 7.854% kept HN ALA 93 - HB2 GLU- 50 25.000% * 5.6490% (0.46 0.31 0.02) = 5.649% kept Peak 3558 (7.79, 2.04, 29.25 ppm): 12 chemical-shift based assignments, quality = 0.775, support = 2.94, residual support = 10.3: HN THR 46 - HB3 GLU- 45 8.333% * 34.7100% (0.83 3.98 14.78) = 34.710% kept HN THR 46 - HB2 GLU- 45 8.333% * 32.1291% (0.81 3.79 14.78) = 32.129% kept HN ALA 93 - HB3 GLU- 45 8.333% * 7.4155% (0.71 1.01 0.59) = 7.416% kept HN ALA 93 - HB2 GLU- 45 8.333% * 7.3334% (0.69 1.02 0.59) = 7.333% kept HN VAL 87 - HB3 GLU- 45 8.333% * 7.1623% (0.85 0.81 0.11) = 7.162% kept HN VAL 87 - HB2 GLU- 45 8.333% * 5.9560% (0.83 0.69 0.11) = 5.956% kept HN LYS+ 55 - HB3 GLU- 54 8.333% * 3.0680% (0.10 2.86 9.81) = 3.068% kept HN LYS+ 55 - HB3 GLU- 45 8.333% * 1.0616% (0.40 0.26 0.02) = 1.062% kept HN LYS+ 55 - HB2 GLU- 45 8.333% * 1.0341% (0.39 0.26 0.02) = 1.034% kept HN VAL 87 - HB3 GLU- 54 8.333% * 0.0463% (0.22 0.02 0.02) = 0.046% HN THR 46 - HB3 GLU- 54 8.333% * 0.0453% (0.22 0.02 0.02) = 0.045% HN ALA 93 - HB3 GLU- 54 8.333% * 0.0384% (0.18 0.02 0.02) = 0.038% Peak 3559 (4.23, 2.04, 29.25 ppm): 45 chemical-shift based assignments, quality = 0.764, support = 1.54, residual support = 4.71: T HA SER 49 - HB2 GLU- 45 2.222% * 36.1670% (0.86 1.0 10.00 1.64 3.80) = 36.167% kept T HA SER 49 - HB3 GLU- 45 2.222% * 34.4844% (0.88 1.0 10.00 1.52 3.80) = 34.484% kept O HA GLU- 54 - HB3 GLU- 54 2.222% * 10.9317% (0.21 10.0 1.00 2.32 17.29) = 10.932% kept HA ALA 42 - HB3 GLU- 45 2.222% * 3.3536% (0.88 1.0 1.00 1.48 1.65) = 3.354% kept HA ALA 42 - HB2 GLU- 45 2.222% * 3.0485% (0.86 1.0 1.00 1.38 1.65) = 3.049% kept HA GLU- 18 - HB3 GLU- 45 2.222% * 2.5612% (0.87 1.0 1.00 1.14 0.58) = 2.561% kept HA GLU- 18 - HB2 GLU- 45 2.222% * 2.2615% (0.85 1.0 1.00 1.03 0.58) = 2.261% kept HA GLU- 10 - HB3 GLU- 45 2.222% * 1.9088% (0.81 1.0 1.00 0.91 0.02) = 1.909% kept HA GLU- 10 - HB2 GLU- 45 2.222% * 1.7512% (0.79 1.0 1.00 0.86 0.02) = 1.751% kept HA LYS+ 108 - HB3 GLU- 45 2.222% * 0.7210% (0.81 1.0 1.00 0.34 0.02) = 0.721% HA LYS+ 108 - HB2 GLU- 45 2.222% * 0.5292% (0.79 1.0 1.00 0.26 0.02) = 0.529% HA ALA 11 - HB2 GLU- 45 2.222% * 0.3728% (0.39 1.0 1.00 0.38 0.87) = 0.373% T HA PRO 59 - HB3 GLU- 45 2.222% * 0.3126% (0.61 1.0 10.00 0.02 0.02) = 0.313% T HA PRO 59 - HB2 GLU- 45 2.222% * 0.3045% (0.59 1.0 10.00 0.02 0.02) = 0.305% T HB3 SER 49 - HB3 GLU- 45 2.222% * 0.2098% (0.41 1.0 10.00 0.02 3.80) = 0.210% T HB3 SER 49 - HB2 GLU- 45 2.222% * 0.2044% (0.40 1.0 10.00 0.02 3.80) = 0.204% HA GLU- 12 - HB2 GLU- 45 2.222% * 0.1701% (0.56 1.0 1.00 0.12 0.02) = 0.170% HA GLU- 12 - HB3 GLU- 45 2.222% * 0.1512% (0.57 1.0 1.00 0.10 0.02) = 0.151% T HA SER 49 - HB3 GLU- 54 2.222% * 0.1182% (0.23 1.0 10.00 0.02 0.02) = 0.118% T HA PRO 59 - HB3 GLU- 54 2.222% * 0.0813% (0.16 1.0 10.00 0.02 0.02) = 0.081% T HB3 SER 49 - HB3 GLU- 54 2.222% * 0.0546% (0.11 1.0 10.00 0.02 0.02) = 0.055% HA GLU- 54 - HB3 GLU- 45 2.222% * 0.0420% (0.81 1.0 1.00 0.02 0.02) = 0.042% HA GLU- 54 - HB2 GLU- 45 2.222% * 0.0409% (0.79 1.0 1.00 0.02 0.02) = 0.041% HA ALA 11 - HB3 GLU- 45 2.222% * 0.0204% (0.40 1.0 1.00 0.02 0.87) = 0.020% HA ASN 76 - HB3 GLU- 45 2.222% * 0.0171% (0.33 1.0 1.00 0.02 0.02) = 0.017% HA ASN 76 - HB2 GLU- 45 2.222% * 0.0166% (0.32 1.0 1.00 0.02 0.02) = 0.017% HA GLU- 107 - HB3 GLU- 45 2.222% * 0.0155% (0.30 1.0 1.00 0.02 0.02) = 0.016% HA GLU- 107 - HB2 GLU- 45 2.222% * 0.0151% (0.29 1.0 1.00 0.02 0.02) = 0.015% HA GLU- 56 - HB3 GLU- 45 2.222% * 0.0140% (0.27 1.0 1.00 0.02 0.02) = 0.014% HA GLU- 56 - HB2 GLU- 45 2.222% * 0.0137% (0.27 1.0 1.00 0.02 0.02) = 0.014% HA ALA 42 - HB3 GLU- 54 2.222% * 0.0118% (0.23 1.0 1.00 0.02 0.02) = 0.012% HA GLU- 18 - HB3 GLU- 54 2.222% * 0.0117% (0.23 1.0 1.00 0.02 0.18) = 0.012% HA GLU- 10 - HB3 GLU- 54 2.222% * 0.0109% (0.21 1.0 1.00 0.02 0.02) = 0.011% HA LYS+ 108 - HB3 GLU- 54 2.222% * 0.0109% (0.21 1.0 1.00 0.02 0.02) = 0.011% HA ASP- 82 - HB3 GLU- 45 2.222% * 0.0101% (0.20 1.0 1.00 0.02 0.02) = 0.010% HA ASP- 82 - HB2 GLU- 45 2.222% * 0.0099% (0.19 1.0 1.00 0.02 0.02) = 0.010% HA GLU- 12 - HB3 GLU- 54 2.222% * 0.0077% (0.15 1.0 1.00 0.02 0.02) = 0.008% HA GLU- 75 - HB3 GLU- 45 2.222% * 0.0062% (0.12 1.0 1.00 0.02 0.02) = 0.006% HA GLU- 75 - HB2 GLU- 45 2.222% * 0.0060% (0.12 1.0 1.00 0.02 0.02) = 0.006% HA ALA 11 - HB3 GLU- 54 2.222% * 0.0053% (0.10 1.0 1.00 0.02 0.02) = 0.005% HA ASN 76 - HB3 GLU- 54 2.222% * 0.0044% (0.09 1.0 1.00 0.02 0.02) = 0.004% HA GLU- 107 - HB3 GLU- 54 2.222% * 0.0040% (0.08 1.0 1.00 0.02 0.02) = 0.004% HA GLU- 56 - HB3 GLU- 54 2.222% * 0.0037% (0.07 1.0 1.00 0.02 0.02) = 0.004% HA ASP- 82 - HB3 GLU- 54 2.222% * 0.0026% (0.05 1.0 1.00 0.02 0.23) = 0.003% HA GLU- 75 - HB3 GLU- 54 2.222% * 0.0016% (0.03 1.0 1.00 0.02 0.18) = 0.002% Peak 3560 (3.85, 2.04, 29.25 ppm): 21 chemical-shift based assignments, quality = 0.449, support = 4.52, residual support = 54.6: O T HA GLU- 45 - HB3 GLU- 45 4.762% * 49.6395% (0.46 10.0 10.00 4.42 55.69) = 49.640% kept O T HA GLU- 45 - HB2 GLU- 45 4.762% * 48.3534% (0.45 10.0 10.00 4.81 55.69) = 48.353% kept HA2 GLY 92 - HB3 GLU- 45 4.762% * 0.7877% (0.20 1.0 1.00 0.75 0.54) = 0.788% T HD3 PRO 35 - HB3 GLU- 45 4.762% * 0.1867% (0.17 1.0 10.00 0.02 1.17) = 0.187% T HD3 PRO 35 - HB2 GLU- 45 4.762% * 0.1819% (0.17 1.0 10.00 0.02 1.17) = 0.182% T HA GLU- 45 - HB3 GLU- 54 4.762% * 0.1292% (0.12 1.0 10.00 0.02 0.02) = 0.129% HB3 SER 88 - HB3 GLU- 45 4.762% * 0.0818% (0.77 1.0 1.00 0.02 0.02) = 0.082% HB3 SER 88 - HB2 GLU- 45 4.762% * 0.0797% (0.75 1.0 1.00 0.02 0.02) = 0.080% HB2 SER 85 - HB3 GLU- 45 4.762% * 0.0788% (0.74 1.0 1.00 0.02 0.02) = 0.079% HB2 SER 85 - HB2 GLU- 45 4.762% * 0.0768% (0.72 1.0 1.00 0.02 0.02) = 0.077% HB3 SER 77 - HB3 GLU- 45 4.762% * 0.0755% (0.71 1.0 1.00 0.02 0.02) = 0.076% HB3 SER 77 - HB2 GLU- 45 4.762% * 0.0736% (0.69 1.0 1.00 0.02 0.02) = 0.074% HB3 SER 27 - HB3 GLU- 45 4.762% * 0.0534% (0.50 1.0 1.00 0.02 0.02) = 0.053% HB3 SER 27 - HB2 GLU- 45 4.762% * 0.0520% (0.49 1.0 1.00 0.02 0.02) = 0.052% T HD3 PRO 35 - HB3 GLU- 54 4.762% * 0.0486% (0.05 1.0 10.00 0.02 0.02) = 0.049% HB3 SER 88 - HB3 GLU- 54 4.762% * 0.0213% (0.20 1.0 1.00 0.02 0.02) = 0.021% HB2 SER 85 - HB3 GLU- 54 4.762% * 0.0205% (0.19 1.0 1.00 0.02 0.02) = 0.021% HA2 GLY 92 - HB2 GLU- 45 4.762% * 0.0205% (0.19 1.0 1.00 0.02 0.54) = 0.020% HB3 SER 77 - HB3 GLU- 54 4.762% * 0.0197% (0.18 1.0 1.00 0.02 0.02) = 0.020% HB3 SER 27 - HB3 GLU- 54 4.762% * 0.0139% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA2 GLY 92 - HB3 GLU- 54 4.762% * 0.0055% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 3561 (4.24, 2.24, 29.25 ppm): 20 chemical-shift based assignments, quality = 0.384, support = 1.18, residual support = 3.19: HA SER 49 - HB2 GLU- 50 5.000% * 35.2893% (0.42 1.60 5.55) = 35.289% kept HB3 SER 49 - HB2 GLU- 50 5.000% * 20.9057% (0.21 1.86 5.55) = 20.906% kept HA PRO 59 - HB2 GLU- 50 5.000% * 20.7988% (0.57 0.69 0.27) = 20.799% kept HA GLU- 54 - HB2 GLU- 50 5.000% * 10.1630% (0.55 0.35 0.02) = 10.163% kept HD3 PRO 59 - HB2 GLU- 50 5.000% * 4.0543% (0.08 0.99 0.27) = 4.054% kept HA GLU- 10 - HB2 GLU- 50 5.000% * 2.3121% (0.55 0.08 0.02) = 2.312% kept HA SER 85 - HB2 GLU- 50 5.000% * 1.6893% (0.08 0.41 0.02) = 1.689% kept HA GLU- 12 - HB2 GLU- 50 5.000% * 0.6095% (0.14 0.08 0.02) = 0.609% HA LYS+ 108 - HB2 GLU- 50 5.000% * 0.5730% (0.55 0.02 0.02) = 0.573% HA ALA 11 - HB2 GLU- 50 5.000% * 0.5254% (0.50 0.02 0.02) = 0.525% HA ASN 76 - HB2 GLU- 50 5.000% * 0.4850% (0.46 0.02 0.02) = 0.485% HA ALA 42 - HB2 GLU- 50 5.000% * 0.4850% (0.46 0.02 0.02) = 0.485% HA GLU- 107 - HB2 GLU- 50 5.000% * 0.4629% (0.44 0.02 0.02) = 0.463% HA GLU- 56 - HB2 GLU- 50 5.000% * 0.4399% (0.42 0.02 0.02) = 0.440% HA GLU- 18 - HB2 GLU- 50 5.000% * 0.4161% (0.40 0.02 0.02) = 0.416% HA GLU- 75 - HB2 GLU- 50 5.000% * 0.2716% (0.26 0.02 0.02) = 0.272% HA GLU- 64 - HB2 GLU- 50 5.000% * 0.2490% (0.24 0.02 0.02) = 0.249% HA VAL 65 - HB2 GLU- 50 5.000% * 0.1061% (0.10 0.02 0.02) = 0.106% HA PRO 52 - HB2 GLU- 50 5.000% * 0.0820% (0.08 0.02 0.02) = 0.082% HA ARG+ 84 - HB2 GLU- 50 5.000% * 0.0820% (0.08 0.02 0.02) = 0.082% Peak 3562 (3.86, 2.24, 29.25 ppm): 7 chemical-shift based assignments, quality = 0.514, support = 1.94, residual support = 4.02: HA GLU- 45 - HB2 GLU- 50 14.286% * 75.0523% (0.53 2.49 5.30) = 75.052% kept HB3 SER 88 - HB2 GLU- 50 14.286% * 10.3596% (0.56 0.32 0.02) = 10.360% kept HB2 SER 85 - HB2 GLU- 50 14.286% * 7.6174% (0.57 0.24 0.02) = 7.617% kept HD2 PRO 86 - HB2 GLU- 50 14.286% * 5.3330% (0.24 0.40 0.70) = 5.333% kept HB3 SER 77 - HB2 GLU- 50 14.286% * 0.6511% (0.57 0.02 0.02) = 0.651% HB3 SER 27 - HB2 GLU- 50 14.286% * 0.6173% (0.55 0.02 0.02) = 0.617% HD3 PRO 35 - HB2 GLU- 50 14.286% * 0.3694% (0.33 0.02 0.02) = 0.369% Peak 3563 (8.57, 4.04, 70.02 ppm): 4 chemical-shift based assignments, quality = 0.634, support = 2.19, residual support = 8.14: HN THR 39 - HB THR 38 25.000% * 54.4717% (0.63 3.09 14.00) = 54.472% kept HN VAL 80 - HB THR 38 25.000% * 25.4764% (0.65 1.39 1.82) = 25.476% kept HN VAL 73 - HB THR 38 25.000% * 16.0099% (0.73 0.79 0.26) = 16.010% kept HN LYS+ 20 - HB THR 38 25.000% * 4.0419% (0.19 0.77 0.29) = 4.042% kept Peak 3564 (0.69, 3.92, 69.47 ppm): 9 chemical-shift based assignments, quality = 0.722, support = 1.79, residual support = 15.9: O T QG2 THR 96 - HB THR 96 11.111% * 65.8658% (0.70 10.0 10.00 2.33 23.67) = 65.866% kept T QG2 VAL 94 - HB THR 96 11.111% * 26.0912% (0.79 1.0 10.00 0.70 0.63) = 26.091% kept QD1 ILE 19 - HB THR 96 11.111% * 3.9830% (0.84 1.0 1.00 1.00 2.53) = 3.983% kept HG12 ILE 19 - HB THR 96 11.111% * 3.2086% (0.76 1.0 1.00 0.89 2.53) = 3.209% kept QG2 ILE 48 - HB THR 96 11.111% * 0.3727% (0.89 1.0 1.00 0.09 1.32) = 0.373% QG2 ILE 101 - HB THR 96 11.111% * 0.3506% (0.88 1.0 1.00 0.08 0.02) = 0.351% QG2 ILE 68 - HB THR 96 11.111% * 0.0748% (0.79 1.0 1.00 0.02 0.02) = 0.075% QG1 VAL 62 - HB THR 96 11.111% * 0.0294% (0.31 1.0 1.00 0.02 0.02) = 0.029% HG LEU 74 - HB THR 96 11.111% * 0.0240% (0.25 1.0 1.00 0.02 0.02) = 0.024% Peak 3565 (2.73, 1.38, 29.95 ppm): 3 chemical-shift based assignments, quality = 0.673, support = 2.91, residual support = 36.3: O HE3 LYS+ 20 - HD3 LYS+ 20 33.333% * 84.0743% (0.65 10.0 3.14 42.15) = 84.074% kept HB3 PHE 21 - HD3 LYS+ 20 33.333% * 10.1053% (0.76 1.0 2.05 8.87) = 10.105% kept HA1 GLY 58 - HD3 LYS+ 20 33.333% * 5.8204% (0.81 1.0 1.11 0.16) = 5.820% kept Peak 3567 (2.74, 1.41, 29.99 ppm): 3 chemical-shift based assignments, quality = 0.775, support = 3.0, residual support = 38.8: O HE3 LYS+ 20 - HD3 LYS+ 20 33.333% * 91.3162% (0.79 10.0 3.14 42.15) = 91.316% kept HA1 GLY 58 - HD3 LYS+ 20 33.333% * 4.8044% (0.75 1.0 1.11 0.16) = 4.804% kept HB3 PHE 21 - HD3 LYS+ 20 33.333% * 3.8794% (0.33 1.0 2.05 8.87) = 3.879% kept Peak 3568 (9.53, 1.94, 32.81 ppm): 3 chemical-shift based assignments, quality = 0.141, support = 0.02, residual support = 1.02: HE1 TRP 51 - HB3 LYS+ 55 33.333% * 55.2239% (0.19 0.02 0.02) = 55.224% kept HE1 TRP 51 - HB VAL 13 33.333% * 30.5739% (0.10 0.02 3.30) = 30.574% kept HE1 TRP 51 - HB2 GLU- 75 33.333% * 14.2022% (0.05 0.02 0.02) = 14.202% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3569 (9.53, 1.78, 32.81 ppm): 1 chemical-shift based assignment, quality = 0.0991, support = 0.558, residual support = 0.671: HE1 TRP 51 - HB3 LYS+ 63 100.000% *100.0000% (0.10 0.56 0.67) = 100.000% kept Not enough quality. Peak unassigned. Peak 3570 (7.41, 1.79, 32.50 ppm): 2 chemical-shift based assignments, quality = 0.503, support = 3.24, residual support = 14.0: HN GLU- 64 - HB3 LYS+ 63 50.000% * 91.1467% (0.50 3.53 15.02) = 91.147% kept HN THR 61 - HB3 LYS+ 63 50.000% * 8.8533% (0.54 0.32 3.05) = 8.853% 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: Peak unassigned. Peak 3572 (8.24, 1.83, 32.48 ppm): 33 chemical-shift based assignments, quality = 0.401, support = 1.65, residual support = 5.15: O HN VAL 105 - HB2 PRO 104 3.030% * 48.0465% (0.06 10.0 2.74 10.10) = 48.046% kept HN GLY 58 - HB2 PRO 59 3.030% * 30.0626% (0.89 1.0 0.89 0.97) = 30.063% kept HN LYS+ 81 - HB2 PRO 59 3.030% * 8.0982% (0.88 1.0 0.24 0.02) = 8.098% kept HN THR 106 - HB2 PRO 59 3.030% * 4.9488% (0.47 1.0 0.28 0.02) = 4.949% kept HN GLU- 45 - HB3 LYS+ 63 3.030% * 2.5359% (0.05 1.0 1.27 0.14) = 2.536% kept HN VAL 94 - HB2 PRO 59 3.030% * 1.6321% (0.40 1.0 0.11 0.02) = 1.632% kept HN LEU 67 - HB2 PRO 59 3.030% * 0.6703% (0.88 1.0 0.02 0.02) = 0.670% HN GLU- 12 - HB2 PRO 59 3.030% * 0.6397% (0.84 1.0 0.02 0.02) = 0.640% HN SER 49 - HB2 PRO 59 3.030% * 0.6397% (0.84 1.0 0.02 0.02) = 0.640% HN VAL 105 - HB2 PRO 59 3.030% * 0.2780% (0.37 1.0 0.02 0.02) = 0.278% HN ALA 11 - HB2 PRO 59 3.030% * 0.1880% (0.25 1.0 0.02 0.02) = 0.188% HN GLY 58 - HB3 LYS+ 63 3.030% * 0.1794% (0.24 1.0 0.02 0.02) = 0.179% HN LEU 67 - HB3 LYS+ 63 3.030% * 0.1782% (0.24 1.0 0.02 0.02) = 0.178% HN LYS+ 81 - HB3 LYS+ 63 3.030% * 0.1782% (0.24 1.0 0.02 0.02) = 0.178% HN GLU- 12 - HB3 LYS+ 63 3.030% * 0.1701% (0.22 1.0 0.02 0.02) = 0.170% HN SER 49 - HB3 LYS+ 63 3.030% * 0.1701% (0.22 1.0 0.02 0.02) = 0.170% HN GLU- 45 - HB2 PRO 59 3.030% * 0.1506% (0.20 1.0 0.02 0.02) = 0.151% HN GLN 16 - HB2 PRO 59 3.030% * 0.1338% (0.18 1.0 0.02 0.02) = 0.134% HN GLY 58 - HB2 PRO 104 3.030% * 0.1166% (0.15 1.0 0.02 0.14) = 0.117% HN LYS+ 81 - HB2 PRO 104 3.030% * 0.1158% (0.15 1.0 0.02 0.02) = 0.116% HN LEU 67 - HB2 PRO 104 3.030% * 0.1158% (0.15 1.0 0.02 0.02) = 0.116% HN GLU- 12 - HB2 PRO 104 3.030% * 0.1106% (0.15 1.0 0.02 0.02) = 0.111% HN SER 49 - HB2 PRO 104 3.030% * 0.1106% (0.15 1.0 0.02 0.02) = 0.111% HN THR 106 - HB3 LYS+ 63 3.030% * 0.0946% (0.12 1.0 0.02 0.02) = 0.095% HN VAL 94 - HB3 LYS+ 63 3.030% * 0.0806% (0.11 1.0 0.02 0.25) = 0.081% HN VAL 105 - HB3 LYS+ 63 3.030% * 0.0739% (0.10 1.0 0.02 0.02) = 0.074% HN THR 106 - HB2 PRO 104 3.030% * 0.0615% (0.08 1.0 0.02 0.02) = 0.061% HN VAL 94 - HB2 PRO 104 3.030% * 0.0524% (0.07 1.0 0.02 0.02) = 0.052% HN ALA 11 - HB3 LYS+ 63 3.030% * 0.0500% (0.07 1.0 0.02 0.02) = 0.050% HN GLN 16 - HB3 LYS+ 63 3.030% * 0.0356% (0.05 1.0 0.02 0.02) = 0.036% HN ALA 11 - HB2 PRO 104 3.030% * 0.0325% (0.04 1.0 0.02 0.02) = 0.032% HN GLU- 45 - HB2 PRO 104 3.030% * 0.0260% (0.03 1.0 0.02 0.02) = 0.026% HN GLN 16 - HB2 PRO 104 3.030% * 0.0231% (0.03 1.0 0.02 0.02) = 0.023% Peak 3573 (8.42, 1.82, 32.48 ppm): 12 chemical-shift based assignments, quality = 0.559, support = 0.244, residual support = 0.123: HN HIS+ 14 - HB3 LYS+ 63 8.333% * 34.5619% (0.56 0.33 0.25) = 34.562% kept HN HIS+ 14 - HB2 PRO 59 8.333% * 26.8651% (0.65 0.22 0.02) = 26.865% kept HN ARG+ 53 - HB3 LYS+ 63 8.333% * 24.1916% (0.49 0.26 0.12) = 24.192% kept HN GLU- 75 - HB2 PRO 59 8.333% * 8.6821% (0.59 0.08 0.02) = 8.682% kept HN ARG+ 53 - HB2 PRO 59 8.333% * 2.1322% (0.57 0.02 0.02) = 2.132% kept HN GLU- 75 - HB3 LYS+ 63 8.333% * 1.8889% (0.50 0.02 0.02) = 1.889% kept HN LEU 74 - HB2 PRO 59 8.333% * 0.5473% (0.15 0.02 0.02) = 0.547% HN LEU 74 - HB3 LYS+ 63 8.333% * 0.4689% (0.12 0.02 0.02) = 0.469% HN HIS+ 14 - HB2 PRO 104 8.333% * 0.2213% (0.06 0.02 0.02) = 0.221% HN GLU- 75 - HB2 PRO 104 8.333% * 0.1989% (0.05 0.02 0.02) = 0.199% HN ARG+ 53 - HB2 PRO 104 8.333% * 0.1924% (0.05 0.02 0.02) = 0.192% HN LEU 74 - HB2 PRO 104 8.333% * 0.0494% (0.01 0.02 0.02) = 0.049% Not enough support, support cutoff is 0.30 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): 12 chemical-shift based assignments, quality = 0.522, support = 0.248, residual support = 0.0582: HA ASN 89 - HB VAL 13 8.333% * 39.2596% (0.60 0.32 0.11) = 39.260% kept HA ASN 89 - HB3 LYS+ 55 8.333% * 23.6820% (0.71 0.16 0.02) = 23.682% kept HA GLN 16 - HB VAL 13 8.333% * 14.6956% (0.17 0.42 0.02) = 14.696% kept HA TYR 83 - HB VAL 13 8.333% * 11.3112% (0.58 0.09 0.02) = 11.311% kept HA ASN 89 - HB2 GLU- 75 8.333% * 5.5839% (0.15 0.18 0.02) = 5.584% kept HA TYR 83 - HB3 LYS+ 55 8.333% * 2.8347% (0.69 0.02 0.16) = 2.835% kept HA GLN 16 - HB3 LYS+ 55 8.333% * 0.8167% (0.20 0.02 0.02) = 0.817% HA TYR 83 - HB2 GLU- 75 8.333% * 0.5895% (0.14 0.02 0.02) = 0.589% HA VAL 99 - HB3 LYS+ 55 8.333% * 0.5144% (0.13 0.02 0.02) = 0.514% HA VAL 99 - HB VAL 13 8.333% * 0.4356% (0.11 0.02 0.02) = 0.436% HA GLN 16 - HB2 GLU- 75 8.333% * 0.1698% (0.04 0.02 0.02) = 0.170% HA VAL 99 - HB2 GLU- 75 8.333% * 0.1070% (0.03 0.02 0.02) = 0.107% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3576 (3.85, 1.95, 32.81 ppm): 24 chemical-shift based assignments, quality = 0.405, support = 0.349, residual support = 0.209: HB3 SER 88 - HB VAL 13 4.167% * 32.1123% (0.54 0.40 0.02) = 32.112% kept HB2 SER 85 - HB VAL 13 4.167% * 14.3621% (0.53 0.18 0.02) = 14.362% kept HB3 SER 88 - HB3 LYS+ 55 4.167% * 10.7872% (0.69 0.10 0.02) = 10.787% kept HB2 SER 85 - HB2 GLU- 75 4.167% * 9.2523% (0.14 0.43 0.13) = 9.252% kept HD2 PRO 86 - HB VAL 13 4.167% * 9.1669% (0.09 0.67 0.02) = 9.167% kept HD2 PRO 86 - HB2 GLU- 75 4.167% * 4.7783% (0.02 1.28 1.98) = 4.778% kept HD3 PRO 35 - HB2 GLU- 75 4.167% * 3.2911% (0.04 0.55 2.60) = 3.291% kept HB2 SER 85 - HB3 LYS+ 55 4.167% * 2.0106% (0.67 0.02 0.02) = 2.011% kept HB3 SER 77 - HB3 LYS+ 55 4.167% * 1.9447% (0.65 0.02 0.02) = 1.945% kept HB3 SER 77 - HB VAL 13 4.167% * 1.5278% (0.51 0.02 0.02) = 1.528% kept HA2 GLY 92 - HB VAL 13 4.167% * 1.4629% (0.10 0.09 0.02) = 1.463% kept HB3 SER 27 - HB3 LYS+ 55 4.167% * 1.4503% (0.48 0.02 0.02) = 1.450% kept HA GLU- 45 - HB3 LYS+ 55 4.167% * 1.3598% (0.45 0.02 0.02) = 1.360% kept HD2 PRO 86 - HB3 LYS+ 55 4.167% * 1.3372% (0.12 0.08 0.02) = 1.337% kept HB3 SER 27 - HB VAL 13 4.167% * 1.1394% (0.38 0.02 0.02) = 1.139% kept HA GLU- 45 - HB VAL 13 4.167% * 1.0683% (0.36 0.02 0.02) = 1.068% kept HD3 PRO 35 - HB3 LYS+ 55 4.167% * 0.5590% (0.19 0.02 0.15) = 0.559% HB3 SER 88 - HB2 GLU- 75 4.167% * 0.4468% (0.15 0.02 0.02) = 0.447% HD3 PRO 35 - HB VAL 13 4.167% * 0.4392% (0.15 0.02 0.02) = 0.439% HB3 SER 77 - HB2 GLU- 75 4.167% * 0.4198% (0.14 0.02 0.02) = 0.420% HA2 GLY 92 - HB3 LYS+ 55 4.167% * 0.3926% (0.13 0.02 0.02) = 0.393% HB3 SER 27 - HB2 GLU- 75 4.167% * 0.3131% (0.10 0.02 0.02) = 0.313% HA GLU- 45 - HB2 GLU- 75 4.167% * 0.2936% (0.10 0.02 0.02) = 0.294% HA2 GLY 92 - HB2 GLU- 75 4.167% * 0.0848% (0.03 0.02 0.02) = 0.085% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 3577 (8.27, 2.26, 32.16 ppm): 10 chemical-shift based assignments, quality = 0.363, support = 2.13, residual support = 2.09: HN THR 106 - HB VAL 80 10.000% * 73.6161% (0.31 2.82 2.83) = 73.616% kept HN ALA 91 - HB VAL 80 10.000% * 8.2359% (0.23 0.43 0.02) = 8.236% kept HN ASN 89 - HB VAL 80 10.000% * 6.9427% (0.81 0.10 0.02) = 6.943% kept HN GLN 16 - HB VAL 80 10.000% * 5.6323% (0.63 0.11 0.02) = 5.632% kept HN ASP- 28 - HB VAL 80 10.000% * 4.4219% (0.60 0.09 0.02) = 4.422% kept HN ASN 89 - HB2 PRO 86 10.000% * 0.3639% (0.21 0.02 0.02) = 0.364% HN GLN 16 - HB2 PRO 86 10.000% * 0.2806% (0.17 0.02 0.02) = 0.281% HN ASP- 28 - HB2 PRO 86 10.000% * 0.2666% (0.16 0.02 0.02) = 0.267% HN THR 106 - HB2 PRO 86 10.000% * 0.1378% (0.08 0.02 0.02) = 0.138% HN ALA 91 - HB2 PRO 86 10.000% * 0.1021% (0.06 0.02 0.02) = 0.102% Peak 3578 (0.72, 2.35, 31.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3579 (0.91, 2.35, 31.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3580 (2.07, 2.06, 32.18 ppm): 2 diagonal assignments: HB3 GLU- 75 - HB3 GLU- 75 (0.47) kept HB VAL 62 - HB VAL 62 (0.27) kept Peak 3581 (0.96, 2.06, 32.18 ppm): 16 chemical-shift based assignments, quality = 0.178, support = 1.93, residual support = 22.7: O QG2 VAL 62 - HB VAL 62 6.250% * 85.9099% (0.16 10.0 2.17 26.40) = 85.910% kept QG2 VAL 99 - HB VAL 62 6.250% * 3.9500% (0.29 1.0 0.53 1.02) = 3.950% kept QG2 VAL 62 - HB3 GLU- 75 6.250% * 3.4599% (0.29 1.0 0.46 0.12) = 3.460% kept QG2 VAL 73 - HB3 GLU- 75 6.250% * 3.0405% (0.35 1.0 0.33 0.02) = 3.040% kept QG2 ILE 29 - HB VAL 62 6.250% * 2.5915% (0.21 1.0 0.47 0.02) = 2.591% kept QG2 VAL 99 - HB3 GLU- 75 6.250% * 0.2627% (0.50 1.0 0.02 0.02) = 0.263% QG2 ILE 29 - HB3 GLU- 75 6.250% * 0.1925% (0.37 1.0 0.02 1.70) = 0.192% HB2 ARG+ 84 - HB3 GLU- 75 6.250% * 0.1830% (0.09 1.0 0.08 0.02) = 0.183% QG2 VAL 73 - HB VAL 62 6.250% * 0.1042% (0.20 1.0 0.02 0.02) = 0.104% QG1 VAL 105 - HB3 GLU- 75 6.250% * 0.0661% (0.13 1.0 0.02 0.02) = 0.066% QD1 LEU 17 - HB3 GLU- 75 6.250% * 0.0590% (0.11 1.0 0.02 0.02) = 0.059% QG2 VAL 105 - HB3 GLU- 75 6.250% * 0.0525% (0.10 1.0 0.02 0.02) = 0.052% QG1 VAL 105 - HB VAL 62 6.250% * 0.0378% (0.07 1.0 0.02 0.02) = 0.038% QD1 LEU 17 - HB VAL 62 6.250% * 0.0338% (0.06 1.0 0.02 0.02) = 0.034% QG2 VAL 105 - HB VAL 62 6.250% * 0.0300% (0.06 1.0 0.02 0.02) = 0.030% HB2 ARG+ 84 - HB VAL 62 6.250% * 0.0266% (0.05 1.0 0.02 0.02) = 0.027% Peak 3582 (0.75, 2.06, 32.18 ppm): 12 chemical-shift based assignments, quality = 0.269, support = 0.772, residual support = 0.93: HG3 LYS+ 44 - HB3 GLU- 75 8.333% * 23.0377% (0.41 0.61 0.58) = 23.038% kept QG2 ILE 48 - HB3 GLU- 75 8.333% * 17.9730% (0.23 0.85 1.96) = 17.973% kept HG3 LYS+ 66 - HB3 GLU- 75 8.333% * 17.7258% (0.41 0.47 0.02) = 17.726% kept QG2 ILE 101 - HB3 GLU- 75 8.333% * 14.5616% (0.09 1.81 1.65) = 14.562% kept QD1 ILE 68 - HB3 GLU- 75 8.333% * 14.3703% (0.23 0.68 0.14) = 14.370% kept QG1 VAL 40 - HB3 GLU- 75 8.333% * 5.7011% (0.21 0.29 0.02) = 5.701% kept QG2 ILE 48 - HB VAL 62 8.333% * 4.2824% (0.13 0.35 4.15) = 4.282% kept QG2 ILE 101 - HB VAL 62 8.333% * 1.0162% (0.05 0.22 0.02) = 1.016% kept HG3 LYS+ 44 - HB VAL 62 8.333% * 0.4334% (0.23 0.02 0.77) = 0.433% HG3 LYS+ 66 - HB VAL 62 8.333% * 0.4334% (0.23 0.02 0.02) = 0.433% QD1 ILE 68 - HB VAL 62 8.333% * 0.2426% (0.13 0.02 0.02) = 0.243% QG1 VAL 40 - HB VAL 62 8.333% * 0.2225% (0.12 0.02 0.02) = 0.223% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3595 (4.29, 1.61, 31.95 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 4 chemical-shift based assignments, quality = 0.267, support = 4.44, residual support = 53.0: O HD2 PRO 104 - HB3 PRO 104 25.000% * 99.6061% (0.27 10.0 1.00 4.46 53.16) = 99.606% kept T HD2 PRO 104 - HB3 GLU- 75 25.000% * 0.2178% (0.06 1.0 10.00 0.02 0.02) = 0.218% T HD2 PRO 31 - HB3 GLU- 75 25.000% * 0.1208% (0.03 1.0 10.00 0.02 0.02) = 0.121% HD2 PRO 31 - HB3 PRO 104 25.000% * 0.0553% (0.15 1.0 1.00 0.02 0.02) = 0.055% Peak 3599 (3.76, 1.85, 32.26 ppm): 4 chemical-shift based assignments, quality = 0.501, support = 5.03, residual support = 53.1: O HD3 PRO 104 - HB2 PRO 104 25.000% * 99.9148% (0.50 10.0 5.04 53.16) = 99.915% kept HA LEU 43 - HB2 PRO 104 25.000% * 0.0491% (0.25 1.0 0.02 0.02) = 0.049% HD3 PRO 104 - HB2 PRO 59 25.000% * 0.0243% (0.12 1.0 0.02 0.02) = 0.024% HA LEU 43 - HB2 PRO 59 25.000% * 0.0119% (0.06 1.0 0.02 0.02) = 0.012% 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): 2 chemical-shift based assignments, quality = 0.0997, support = 0.941, residual support = 0.657: T HA1 GLY 58 - HB3 PRO 35 50.000% * 69.7721% (0.13 10.00 0.66 0.47) = 69.772% kept T HB2 PHE 34 - HB3 PRO 35 50.000% * 30.2279% (0.02 10.00 1.60 1.09) = 30.228% kept Not enough quality. Peak unassigned. Peak 3603 (1.96, 2.58, 32.91 ppm): 7 chemical-shift based assignments, quality = 0.0859, support = 1.95, residual support = 2.17: T HB2 GLU- 75 - HB3 PRO 35 14.286% * 82.8649% (0.09 10.00 2.19 2.60) = 82.865% kept T HB2 GLU- 10 - HB3 PRO 35 14.286% * 7.4458% (0.05 10.00 0.34 0.02) = 7.446% kept HB3 LYS+ 55 - HB3 PRO 35 14.286% * 7.2770% (0.11 1.00 1.36 0.15) = 7.277% kept HB VAL 73 - HB3 PRO 35 14.286% * 2.1059% (0.08 1.00 0.54 0.14) = 2.106% kept HB VAL 13 - HB3 PRO 35 14.286% * 0.1278% (0.13 1.00 0.02 0.02) = 0.128% HG3 PRO 31 - HB3 PRO 35 14.286% * 0.1111% (0.12 1.00 0.02 0.02) = 0.111% HG3 PRO 104 - HB3 PRO 35 14.286% * 0.0674% (0.07 1.00 0.02 0.02) = 0.067% Not enough quality. Peak unassigned. Peak 3604 (2.36, 2.36, 31.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3605 (2.32, 2.32, 32.16 ppm): 2 diagonal assignments: HB3 PRO 86 - HB3 PRO 86 (0.83) kept HB2 PRO 86 - HB2 PRO 86 (0.11) kept Peak 3606 (1.96, 1.95, 32.25 ppm): 1 diagonal assignment: HB2 GLU- 75 - HB2 GLU- 75 (0.31) kept Peak 3607 (1.96, 2.32, 32.25 ppm): 14 chemical-shift based assignments, quality = 0.466, support = 0.824, residual support = 1.7: T HB2 GLU- 75 - HB3 PRO 86 7.143% * 63.5699% (0.53 10.00 0.95 1.98) = 63.570% kept T HB2 GLU- 75 - HB2 PRO 86 7.143% * 22.3254% (0.23 10.00 0.75 1.98) = 22.325% kept HB3 LYS+ 55 - HB3 PRO 86 7.143% * 4.8434% (0.68 1.00 0.56 0.02) = 4.843% kept HB VAL 13 - HB3 PRO 86 7.143% * 3.8233% (0.81 1.00 0.37 0.02) = 3.823% kept HB VAL 13 - HB2 PRO 86 7.143% * 1.8537% (0.36 1.00 0.40 0.02) = 1.854% kept HB VAL 73 - HB3 PRO 86 7.143% * 1.5177% (0.49 1.00 0.24 0.02) = 1.518% kept HB VAL 73 - HB2 PRO 86 7.143% * 0.7184% (0.22 1.00 0.26 0.02) = 0.718% HG3 PRO 104 - HB2 PRO 86 7.143% * 0.5810% (0.19 1.00 0.24 0.02) = 0.581% HB3 LYS+ 55 - HB2 PRO 86 7.143% * 0.2971% (0.30 1.00 0.08 0.02) = 0.297% HG3 PRO 31 - HB3 PRO 86 7.143% * 0.1794% (0.71 1.00 0.02 0.02) = 0.179% HG3 PRO 104 - HB3 PRO 86 7.143% * 0.1088% (0.43 1.00 0.02 0.02) = 0.109% HG3 PRO 31 - HB2 PRO 86 7.143% * 0.0798% (0.31 1.00 0.02 0.02) = 0.080% HB2 GLU- 10 - HB3 PRO 86 7.143% * 0.0706% (0.28 1.00 0.02 0.02) = 0.071% HB2 GLU- 10 - HB2 PRO 86 7.143% * 0.0314% (0.12 1.00 0.02 0.02) = 0.031% 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 = 3.81, residual support = 18.0: HN THR 79 - HB2 LYS+ 78 50.000% * 87.1910% (0.67 4.27 20.61) = 87.191% kept HN GLY 30 - HB2 LYS+ 78 50.000% * 12.8090% (0.63 0.66 0.02) = 12.809% kept Peak 3610 (7.59, 2.40, 34.10 ppm): 5 chemical-shift based assignments, quality = 0.633, support = 5.3, residual support = 24.2: O HN LYS+ 78 - HB2 LYS+ 78 20.000% * 99.7852% (0.63 10.0 5.31 24.26) = 99.785% kept HD21 ASN 15 - HB2 LYS+ 78 20.000% * 0.1091% (0.69 1.0 0.02 0.02) = 0.109% HN ASP- 25 - HB2 LYS+ 78 20.000% * 0.0585% (0.37 1.0 0.02 0.02) = 0.059% HN VAL 65 - HB2 LYS+ 78 20.000% * 0.0277% (0.18 1.0 0.02 0.02) = 0.028% HD21 ASN 57 - HB2 LYS+ 78 20.000% * 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 = 1.91: T QE TYR 83 - HB2 LYS+ 78 100.000% *100.0000% (0.20 10.00 0.75 1.91) = 100.000% kept Not enough quality. Peak unassigned. Peak 3612 (4.56, 2.40, 34.10 ppm): 5 chemical-shift based assignments, quality = 0.513, support = 2.98, residual support = 23.6: O HA LYS+ 78 - HB2 LYS+ 78 20.000% * 97.4686% (0.51 10.0 3.05 24.26) = 97.469% kept HA LEU 17 - HB2 LYS+ 78 20.000% * 2.3235% (0.54 1.0 0.45 0.02) = 2.323% kept HA LYS+ 55 - HB2 LYS+ 78 20.000% * 0.1330% (0.70 1.0 0.02 0.02) = 0.133% HA ALA 103 - HB2 LYS+ 78 20.000% * 0.0414% (0.22 1.0 0.02 0.02) = 0.041% HA LYS+ 72 - HB2 LYS+ 78 20.000% * 0.0335% (0.18 1.0 0.02 0.02) = 0.033% 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): 12 chemical-shift based assignments, quality = 0.647, support = 1.79, residual support = 28.5: O HE22 GLN 102 - HG3 GLN 102 8.333% * 98.8167% (0.65 10.0 1.80 28.85) = 98.817% kept HE22 GLN 102 - HG3 GLN 16 8.333% * 1.0236% (0.30 1.0 0.41 0.17) = 1.024% kept HZ PHE 34 - HG3 GLN 102 8.333% * 0.0264% (0.16 1.0 0.02 0.02) = 0.026% HZ2 TRP 51 - HG3 GLN 102 8.333% * 0.0264% (0.16 1.0 0.02 0.02) = 0.026% QE PHE 34 - HG3 GLN 102 8.333% * 0.0264% (0.16 1.0 0.02 0.02) = 0.026% HE22 GLN 102 - HG3 MET 97 8.333% * 0.0255% (0.15 1.0 0.02 0.02) = 0.026% HZ2 TRP 51 - HG3 GLN 16 8.333% * 0.0121% (0.07 1.0 0.02 0.02) = 0.012% QE PHE 34 - HG3 GLN 16 8.333% * 0.0121% (0.07 1.0 0.02 0.72) = 0.012% HZ PHE 34 - HG3 GLN 16 8.333% * 0.0121% (0.07 1.0 0.02 0.72) = 0.012% QE PHE 34 - HG3 MET 97 8.333% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% HZ PHE 34 - HG3 MET 97 8.333% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% HZ2 TRP 51 - HG3 MET 97 8.333% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% Peak 3615 (8.19, 2.24, 33.78 ppm): 12 chemical-shift based assignments, quality = 0.375, support = 0.464, residual support = 1.83: HN ALA 33 - HG3 GLN 102 8.333% * 36.4052% (0.61 0.35 0.76) = 36.405% kept HN ALA 33 - HG3 GLN 16 8.333% * 34.3501% (0.28 0.72 4.49) = 34.350% kept HN SER 41 - HG3 GLN 102 8.333% * 17.4995% (0.26 0.39 0.02) = 17.499% kept HN SER 41 - HG3 GLN 16 8.333% * 4.3857% (0.12 0.21 0.02) = 4.386% kept HN ALA 11 - HG3 GLN 16 8.333% * 3.6380% (0.06 0.33 0.02) = 3.638% kept HN GLU- 45 - HG3 GLN 16 8.333% * 1.6971% (0.08 0.12 0.02) = 1.697% kept HN GLU- 45 - HG3 GLN 102 8.333% * 0.6000% (0.18 0.02 0.02) = 0.600% HN ALA 33 - HG3 MET 97 8.333% * 0.4867% (0.14 0.02 0.02) = 0.487% HN ALA 11 - HG3 GLN 102 8.333% * 0.4762% (0.14 0.02 0.02) = 0.476% HN SER 41 - HG3 MET 97 8.333% * 0.2106% (0.06 0.02 0.02) = 0.211% HN GLU- 45 - HG3 MET 97 8.333% * 0.1399% (0.04 0.02 0.02) = 0.140% HN ALA 11 - HG3 MET 97 8.333% * 0.1110% (0.03 0.02 0.02) = 0.111% Peak 3616 (7.36, 2.11, 33.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3617 (8.19, 2.11, 33.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3618 (8.92, 2.11, 33.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3619 (9.07, 1.85, 34.49 ppm): 6 chemical-shift based assignments, quality = 0.952, support = 2.54, residual support = 16.5: O HN LYS+ 66 - HB2 LYS+ 66 16.667% * 99.6963% (0.95 10.0 2.55 16.53) = 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3621 (6.66, 2.24, 33.78 ppm): 3 chemical-shift based assignments, quality = 0.343, support = 1.71, residual support = 28.8: O HE21 GLN 102 - HG3 GLN 102 33.333% * 99.9192% (0.34 10.0 1.71 28.85) = 99.919% kept HE21 GLN 102 - HG3 GLN 16 33.333% * 0.0536% (0.16 1.0 0.02 0.17) = 0.054% HE21 GLN 102 - HG3 MET 97 33.333% * 0.0272% (0.08 1.0 0.02 0.02) = 0.027% Peak 3622 (-0.03, 1.85, 33.99 ppm): 2 chemical-shift based assignments, quality = 0.853, support = 0.192, residual support = 0.02: T QD1 LEU 74 - HB3 LYS+ 72 50.000% * 90.1259% (0.84 10.00 0.21 0.02) = 90.126% kept T QD1 LEU 74 - HB VAL 94 50.000% * 9.8741% (0.97 10.00 0.02 0.02) = 9.874% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3623 (0.01, 2.21, 34.10 ppm): 6 chemical-shift based assignments, quality = 0.606, support = 0.676, residual support = 2.77: QG2 ILE 19 - HG3 MET 97 16.667% * 72.8745% (0.75 1.00 0.79 3.69) = 72.875% kept QG2 ILE 19 - HG3 GLN 16 16.667% * 12.6668% (0.19 1.00 0.55 0.47) = 12.667% kept T QG2 ILE 19 - HG3 GLN 102 16.667% * 9.1827% (0.37 10.00 0.02 0.02) = 9.183% kept QG2 ILE 19 - HG2 GLN 16 16.667% * 4.4019% (0.06 1.00 0.61 0.47) = 4.402% kept QG2 ILE 19 - HB VAL 99 16.667% * 0.6565% (0.27 1.00 0.02 0.02) = 0.656% QG2 ILE 19 - HG2 GLN 102 16.667% * 0.2176% (0.09 1.00 0.02 0.02) = 0.218% Peak 3624 (0.02, 2.28, 34.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3625 (7.53, 1.67, 33.13 ppm): 1 chemical-shift based assignment, quality = 0.892, support = 3.63, residual support = 13.9: HN ASP- 82 - HB3 LYS+ 81 100.000% *100.0000% (0.89 3.63 13.94) = 100.000% kept Peak 3626 (8.25, 1.67, 33.13 ppm): 8 chemical-shift based assignments, quality = 0.691, support = 4.79, residual support = 43.4: O HN LYS+ 81 - HB3 LYS+ 81 12.500% * 88.1424% (0.68 10.0 5.26 49.00) = 88.142% kept HN THR 106 - HB3 LYS+ 81 12.500% * 9.2248% (0.86 1.0 1.66 1.85) = 9.225% kept HN GLU- 12 - HB3 LYS+ 81 12.500% * 1.4645% (0.77 1.0 0.29 0.02) = 1.465% kept HN GLN 16 - HB3 LYS+ 81 12.500% * 0.8394% (0.58 1.0 0.23 0.02) = 0.839% HN ASN 89 - HB3 LYS+ 81 12.500% * 0.1099% (0.18 1.0 0.10 0.02) = 0.110% HN LEU 67 - HB3 LYS+ 81 12.500% * 0.0881% (0.68 1.0 0.02 0.02) = 0.088% HN GLY 58 - HB3 LYS+ 81 12.500% * 0.0746% (0.58 1.0 0.02 0.02) = 0.075% HN SER 49 - HB3 LYS+ 81 12.500% * 0.0561% (0.43 1.0 0.02 0.02) = 0.056% Peak 3627 (3.68, 1.67, 33.13 ppm): 4 chemical-shift based assignments, quality = 0.429, support = 4.09, residual support = 48.0: O HA LYS+ 81 - HB3 LYS+ 81 25.000% * 97.9544% (0.43 10.0 4.16 49.00) = 97.954% kept HB3 SER 69 - HB3 LYS+ 81 25.000% * 1.7344% (0.22 1.0 0.69 0.80) = 1.734% kept HD2 PRO 52 - HB3 LYS+ 81 25.000% * 0.1973% (0.87 1.0 0.02 0.02) = 0.197% HB2 TRP 51 - HB3 LYS+ 81 25.000% * 0.1139% (0.50 1.0 0.02 0.02) = 0.114% 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): 4 chemical-shift based assignments, quality = 0.108, support = 1.7, residual support = 1.42: HN ALA 37 - HB3 PRO 35 25.000% * 79.1590% (0.13 1.75 1.56) = 79.159% kept HN THR 46 - HB3 PRO 35 25.000% * 16.0523% (0.03 1.73 1.16) = 16.052% kept HN ALA 42 - HB3 PRO 35 25.000% * 4.6247% (0.02 0.73 0.02) = 4.625% kept HN VAL 87 - HB3 PRO 35 25.000% * 0.1641% (0.02 0.02 0.02) = 0.164% Not enough quality. Peak unassigned. 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 = 0.951, support = 4.36, residual support = 42.1: O HN LYS+ 20 - HB3 LYS+ 20 20.000% * 99.8723% (0.95 10.0 4.36 42.15) = 99.872% kept HN THR 39 - HB3 LYS+ 20 20.000% * 0.0425% (0.41 1.0 0.02 1.82) = 0.043% HN VAL 80 - HB3 LYS+ 20 20.000% * 0.0388% (0.37 1.0 0.02 0.02) = 0.039% HN VAL 73 - HB3 LYS+ 20 20.000% * 0.0258% (0.25 1.0 0.02 0.02) = 0.026% HN SER 85 - HB3 LYS+ 20 20.000% * 0.0205% (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 = 0.781, support = 1.18, residual support = 4.15: HA HIS+ 98 - HB3 LYS+ 20 20.000% * 54.3360% (0.74 1.38 1.85) = 54.336% kept HA MET 97 - HB3 LYS+ 20 20.000% * 43.8242% (0.84 0.98 7.18) = 43.824% kept HA ALA 33 - HB3 LYS+ 20 20.000% * 1.0241% (0.96 0.02 0.02) = 1.024% kept HA ILE 101 - HB3 LYS+ 20 20.000% * 0.4632% (0.43 0.02 0.02) = 0.463% HA SER 69 - HB3 LYS+ 20 20.000% * 0.3524% (0.33 0.02 0.02) = 0.352% Peak 3636 (3.48, 1.37, 36.77 ppm): 5 chemical-shift based assignments, quality = 0.64, support = 1.21, residual support = 3.93: T HD3 PRO 31 - HB3 LYS+ 20 20.000% * 87.3267% (0.67 10.00 1.13 4.47) = 87.327% kept HA1 GLY 30 - HB3 LYS+ 20 20.000% * 11.5614% (0.51 1.00 1.95 0.26) = 11.561% kept HA1 GLY 71 - HB3 LYS+ 20 20.000% * 0.9503% (0.81 1.00 0.10 0.02) = 0.950% HA VAL 80 - HB3 LYS+ 20 20.000% * 0.0846% (0.36 1.00 0.02 0.02) = 0.085% HA VAL 40 - HB3 LYS+ 20 20.000% * 0.0769% (0.33 1.00 0.02 0.02) = 0.077% Peak 3637 (1.95, 1.37, 36.77 ppm): 8 chemical-shift based assignments, quality = 0.876, support = 0.603, residual support = 0.978: T HB3 LYS+ 55 - HB3 LYS+ 20 12.500% * 42.4114% (0.95 10.00 0.30 0.02) = 42.411% kept T HB2 GLU- 75 - HB3 LYS+ 20 12.500% * 30.4671% (0.84 10.00 0.25 0.02) = 30.467% kept HG3 PRO 31 - HB3 LYS+ 20 12.500% * 21.2325% (0.96 1.00 1.51 4.47) = 21.233% kept HB ILE 29 - HB3 LYS+ 20 12.500% * 5.2787% (0.24 1.00 1.49 0.29) = 5.279% kept HB VAL 13 - HB3 LYS+ 20 12.500% * 0.2549% (0.87 1.00 0.02 0.02) = 0.255% HB2 GLU- 10 - HB3 LYS+ 20 12.500% * 0.1609% (0.55 1.00 0.02 0.02) = 0.161% HB VAL 73 - HB3 LYS+ 20 12.500% * 0.1067% (0.36 1.00 0.02 0.02) = 0.107% HG3 PRO 104 - HB3 LYS+ 20 12.500% * 0.0877% (0.30 1.00 0.02 0.02) = 0.088% Peak 3638 (2.73, 1.37, 36.77 ppm): 3 chemical-shift based assignments, quality = 0.816, support = 2.75, residual support = 23.5: HE3 LYS+ 20 - HB3 LYS+ 20 33.333% * 48.8490% (0.74 3.76 42.15) = 48.849% kept HB3 PHE 21 - HB3 LYS+ 20 33.333% * 32.9638% (0.87 2.16 8.87) = 32.964% kept HA1 GLY 58 - HB3 LYS+ 20 33.333% * 18.1872% (0.92 1.12 0.16) = 18.187% kept Peak 3639 (1.14, 1.89, 37.09 ppm): 4 chemical-shift based assignments, quality = 0.798, support = 0.666, residual support = 0.539: T QB ALA 33 - HG2 GLU- 18 25.000% * 76.6798% (0.77 10.00 0.53 0.38) = 76.680% kept HG3 LYS+ 32 - HG2 GLU- 18 25.000% * 21.2645% (0.93 1.00 1.21 1.18) = 21.265% kept QG2 THR 61 - HG2 GLU- 18 25.000% * 1.9651% (0.47 1.00 0.22 0.02) = 1.965% kept HG3 PRO 59 - HG2 GLU- 18 25.000% * 0.0906% (0.24 1.00 0.02 0.02) = 0.091% Peak 3640 (0.84, 1.89, 37.09 ppm): 9 chemical-shift based assignments, quality = 0.811, support = 1.07, residual support = 3.73: T QG1 VAL 13 - HG2 GLU- 18 11.111% * 72.0911% (0.89 10.00 0.86 0.65) = 72.091% kept QD2 LEU 17 - HG2 GLU- 18 11.111% * 11.0184% (0.43 1.00 2.72 26.99) = 11.018% kept QG1 VAL 94 - HG2 GLU- 18 11.111% * 7.3617% (0.66 1.00 1.19 3.18) = 7.362% kept QG2 VAL 13 - HG2 GLU- 18 11.111% * 6.6329% (0.86 1.00 0.82 0.65) = 6.633% kept T QD1 ILE 29 - HG2 GLU- 18 11.111% * 1.6672% (0.89 10.00 0.02 0.02) = 1.667% kept QG2 ILE 100 - HG2 GLU- 18 11.111% * 1.1034% (0.17 1.00 0.70 0.53) = 1.103% kept QD2 LEU 90 - HG2 GLU- 18 11.111% * 0.0616% (0.33 1.00 0.02 0.11) = 0.062% QD1 LEU 90 - HG2 GLU- 18 11.111% * 0.0357% (0.19 1.00 0.02 0.11) = 0.036% QD2 LEU 67 - HG2 GLU- 18 11.111% * 0.0279% (0.15 1.00 0.02 0.02) = 0.028% Peak 3641 (0.68, 1.89, 37.09 ppm): 8 chemical-shift based assignments, quality = 0.803, support = 2.26, residual support = 5.87: HG12 ILE 19 - HG2 GLU- 18 12.500% * 33.5551% (0.86 2.94 8.02) = 33.555% kept QD1 ILE 19 - HG2 GLU- 18 12.500% * 27.2958% (0.77 2.67 8.02) = 27.296% kept QG2 VAL 94 - HG2 GLU- 18 12.500% * 16.3250% (0.84 1.48 3.18) = 16.325% kept QG2 ILE 101 - HG2 GLU- 18 12.500% * 15.3933% (0.64 1.81 3.05) = 15.393% kept QG2 ILE 48 - HG2 GLU- 18 12.500% * 5.8928% (0.96 0.46 0.02) = 5.893% kept QG1 VAL 62 - HG2 GLU- 18 12.500% * 1.2664% (0.89 0.11 0.02) = 1.266% kept QG2 ILE 68 - HG2 GLU- 18 12.500% * 0.2211% (0.84 0.02 0.02) = 0.221% QG2 THR 96 - HG2 GLU- 18 12.500% * 0.0504% (0.19 0.02 0.02) = 0.050% Peak 3642 (0.39, 2.13, 36.88 ppm): 2 chemical-shift based assignments, quality = 0.974, support = 2.61, residual support = 9.41: QD1 ILE 48 - HG2 GLU- 45 50.000% * 61.8934% (0.97 3.05 9.41) = 61.893% kept HG12 ILE 48 - HG2 GLU- 45 50.000% * 38.1066% (0.97 1.88 9.41) = 38.107% kept Peak 3643 (4.23, 2.13, 36.90 ppm): 14 chemical-shift based assignments, quality = 0.676, support = 1.35, residual support = 3.22: T HB3 SER 49 - HG2 GLU- 45 7.143% * 59.4887% (0.48 10.00 1.28 3.80) = 59.489% kept HA SER 49 - HG2 GLU- 45 7.143% * 20.1830% (0.99 1.00 2.13 3.80) = 20.183% kept HA GLU- 18 - HG2 GLU- 45 7.143% * 8.7117% (0.99 1.00 0.91 0.58) = 8.712% kept HA ALA 42 - HG2 GLU- 45 7.143% * 8.5153% (0.96 1.00 0.92 1.65) = 8.515% kept HA GLU- 10 - HG2 GLU- 45 7.143% * 1.2335% (0.83 1.00 0.15 0.02) = 1.234% kept HA LYS+ 108 - HG2 GLU- 45 7.143% * 1.1862% (0.83 1.00 0.15 0.02) = 1.186% kept HA GLU- 54 - HG2 GLU- 45 7.143% * 0.1597% (0.83 1.00 0.02 0.02) = 0.160% HA GLU- 12 - HG2 GLU- 45 7.143% * 0.1461% (0.76 1.00 0.02 0.02) = 0.146% HA PRO 59 - HG2 GLU- 45 7.143% * 0.1082% (0.56 1.00 0.02 0.02) = 0.108% HA ALA 11 - HG2 GLU- 45 7.143% * 0.0652% (0.34 1.00 0.02 0.87) = 0.065% HA ASP- 82 - HG2 GLU- 45 7.143% * 0.0590% (0.31 1.00 0.02 0.02) = 0.059% HA ASN 76 - HG2 GLU- 45 7.143% * 0.0531% (0.28 1.00 0.02 0.02) = 0.053% HA GLU- 107 - HG2 GLU- 45 7.143% * 0.0477% (0.25 1.00 0.02 0.02) = 0.048% HA GLU- 56 - HG2 GLU- 45 7.143% * 0.0426% (0.22 1.00 0.02 0.02) = 0.043% Peak 3644 (4.23, 2.46, 36.90 ppm): 14 chemical-shift based assignments, quality = 0.91, support = 0.908, residual support = 1.1: T HA ALA 42 - HG3 GLU- 45 7.143% * 33.0362% (0.96 10.00 0.90 1.65) = 33.036% kept T HA GLU- 18 - HG3 GLU- 45 7.143% * 31.3769% (0.99 10.00 0.83 0.58) = 31.377% kept T HA GLU- 10 - HG3 GLU- 45 7.143% * 24.0732% (0.83 10.00 0.76 0.02) = 24.073% kept HA SER 49 - HG3 GLU- 45 7.143% * 6.5870% (0.99 1.00 1.75 3.80) = 6.587% kept HB3 SER 49 - HG3 GLU- 45 7.143% * 3.0831% (0.48 1.00 1.67 3.80) = 3.083% kept T HA LYS+ 108 - HG3 GLU- 45 7.143% * 0.6337% (0.83 10.00 0.02 0.02) = 0.634% HA ALA 11 - HG3 GLU- 45 7.143% * 0.3224% (0.34 1.00 0.25 0.87) = 0.322% HA GLU- 12 - HG3 GLU- 45 7.143% * 0.2284% (0.76 1.00 0.08 0.02) = 0.228% T HA ASN 76 - HG3 GLU- 45 7.143% * 0.2109% (0.28 10.00 0.02 0.02) = 0.211% T HA GLU- 107 - HG3 GLU- 45 7.143% * 0.1892% (0.25 10.00 0.02 0.02) = 0.189% HA ASP- 82 - HG3 GLU- 45 7.143% * 0.1357% (0.31 1.00 0.12 0.02) = 0.136% HA GLU- 54 - HG3 GLU- 45 7.143% * 0.0634% (0.83 1.00 0.02 0.02) = 0.063% HA PRO 59 - HG3 GLU- 45 7.143% * 0.0430% (0.56 1.00 0.02 0.02) = 0.043% HA GLU- 56 - HG3 GLU- 45 7.143% * 0.0169% (0.22 1.00 0.02 0.02) = 0.017% Peak 3645 (3.87, 2.46, 36.90 ppm): 7 chemical-shift based assignments, quality = 0.972, support = 4.29, residual support = 55.4: O HA GLU- 45 - HG3 GLU- 45 14.286% * 99.5008% (0.98 10.0 4.31 55.69) = 99.501% kept HB3 SER 27 - HG3 GLU- 45 14.286% * 0.0980% (0.96 1.0 0.02 0.02) = 0.098% HD3 PRO 35 - HG3 GLU- 45 14.286% * 0.0910% (0.89 1.0 0.02 1.17) = 0.091% HB3 SER 77 - HG3 GLU- 45 14.286% * 0.0813% (0.80 1.0 0.02 0.02) = 0.081% HB2 SER 85 - HG3 GLU- 45 14.286% * 0.0776% (0.76 1.0 0.02 0.02) = 0.078% HD2 PRO 86 - HG3 GLU- 45 14.286% * 0.0776% (0.76 1.0 0.02 0.02) = 0.078% HB3 SER 88 - HG3 GLU- 45 14.286% * 0.0737% (0.72 1.0 0.02 0.02) = 0.074% Peak 3646 (0.96, 2.46, 36.90 ppm): 7 chemical-shift based assignments, quality = 0.586, support = 0.876, residual support = 0.972: QG2 VAL 73 - HG3 GLU- 45 14.286% * 24.7772% (0.56 1.10 2.08) = 24.777% kept QG2 VAL 99 - HG3 GLU- 45 14.286% * 23.2011% (0.94 0.62 0.53) = 23.201% kept QG2 ILE 29 - HG3 GLU- 45 14.286% * 22.4752% (0.60 0.93 0.61) = 22.475% kept QG2 VAL 62 - HG3 GLU- 45 14.286% * 15.3411% (0.45 0.86 1.13) = 15.341% kept QG1 VAL 105 - HG3 GLU- 45 14.286% * 7.1069% (0.17 1.02 0.23) = 7.107% kept QD1 LEU 17 - HG3 GLU- 45 14.286% * 4.7553% (0.15 0.77 0.02) = 4.755% kept QG2 VAL 105 - HG3 GLU- 45 14.286% * 2.3432% (0.13 0.43 0.23) = 2.343% kept Peak 3647 (2.12, 2.46, 36.90 ppm): 13 chemical-shift based assignments, quality = 0.938, support = 3.43, residual support = 51.0: O T HG2 GLU- 45 - HG3 GLU- 45 7.692% * 91.4211% (0.96 10.0 10.00 3.72 55.69) = 91.421% kept HG3 GLU- 64 - HG3 GLU- 45 7.692% * 3.2934% (0.93 1.0 1.00 0.74 1.10) = 3.293% kept T HA1 GLY 58 - HG3 GLU- 45 7.692% * 1.9093% (0.23 1.0 10.00 0.17 0.02) = 1.909% kept HB3 GLU- 75 - HG3 GLU- 45 7.692% * 1.3304% (0.88 1.0 1.00 0.32 0.02) = 1.330% kept HB VAL 105 - HG3 GLU- 45 7.692% * 1.1954% (0.99 1.0 1.00 0.25 0.23) = 1.195% kept HB2 ASP- 28 - HG3 GLU- 45 7.692% * 0.5456% (0.72 1.0 1.00 0.16 0.02) = 0.546% HB VAL 87 - HG3 GLU- 45 7.692% * 0.0822% (0.86 1.0 1.00 0.02 0.11) = 0.082% HB3 LEU 43 - HG3 GLU- 45 7.692% * 0.0613% (0.64 1.0 1.00 0.02 0.02) = 0.061% HG2 GLU- 64 - HG3 GLU- 45 7.692% * 0.0570% (0.60 1.0 1.00 0.02 1.10) = 0.057% HB3 PRO 35 - HG3 GLU- 45 7.692% * 0.0378% (0.40 1.0 1.00 0.02 1.17) = 0.038% HB3 LYS+ 78 - HG3 GLU- 45 7.692% * 0.0263% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB VAL 65 - HG3 GLU- 45 7.692% * 0.0236% (0.25 1.0 1.00 0.02 0.02) = 0.024% HB VAL 47 - HG3 GLU- 45 7.692% * 0.0166% (0.17 1.0 1.00 0.02 0.11) = 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 = 0.388, support = 1.19, residual support = 2.78: HA ILE 101 - HG3 GLU- 18 16.667% * 91.1806% (0.41 1.29 3.05) = 91.181% kept HA HIS+ 98 - HG3 GLU- 18 16.667% * 7.9571% (0.19 0.25 0.02) = 7.957% kept HA ILE 101 - HG3 GLU- 56 16.667% * 0.3252% (0.09 0.02 0.02) = 0.325% HA ILE 101 - HG2 GLU- 56 16.667% * 0.2666% (0.08 0.02 0.02) = 0.267% HA HIS+ 98 - HG3 GLU- 56 16.667% * 0.1487% (0.04 0.02 0.02) = 0.149% HA HIS+ 98 - HG2 GLU- 56 16.667% * 0.1219% (0.04 0.02 0.02) = 0.122% Peak 3651 (4.47, 2.21, 36.97 ppm): 15 chemical-shift based assignments, quality = 0.765, support = 0.724, residual support = 0.748: HA GLN 102 - HG3 GLU- 18 6.667% * 39.7168% (0.83 0.91 1.09) = 39.717% kept HA ILE 100 - HG3 GLU- 18 6.667% * 33.9745% (0.83 0.78 0.53) = 33.974% kept HA GLU- 50 - HG3 GLU- 18 6.667% * 13.5550% (0.61 0.43 0.02) = 13.555% kept HA LYS+ 32 - HG3 GLU- 18 6.667% * 11.1832% (0.61 0.35 1.18) = 11.183% kept HA SER 77 - HG3 GLU- 18 6.667% * 0.2190% (0.21 0.02 0.02) = 0.219% HA GLN 102 - HG3 GLU- 56 6.667% * 0.1998% (0.19 0.02 0.02) = 0.200% HA ILE 100 - HG3 GLU- 56 6.667% * 0.1998% (0.19 0.02 0.02) = 0.200% HA ILE 100 - HG2 GLU- 56 6.667% * 0.1638% (0.16 0.02 0.02) = 0.164% HA GLN 102 - HG2 GLU- 56 6.667% * 0.1638% (0.16 0.02 0.02) = 0.164% HA GLU- 50 - HG3 GLU- 56 6.667% * 0.1464% (0.14 0.02 0.02) = 0.146% HA LYS+ 32 - HG3 GLU- 56 6.667% * 0.1464% (0.14 0.02 0.02) = 0.146% HA GLU- 50 - HG2 GLU- 56 6.667% * 0.1200% (0.11 0.02 0.02) = 0.120% HA LYS+ 32 - HG2 GLU- 56 6.667% * 0.1200% (0.11 0.02 0.02) = 0.120% HA SER 77 - HG3 GLU- 56 6.667% * 0.0503% (0.05 0.02 0.02) = 0.050% HA SER 77 - HG2 GLU- 56 6.667% * 0.0412% (0.04 0.02 0.02) = 0.041% Peak 3652 (4.93, 1.89, 37.06 ppm): 2 chemical-shift based assignments, quality = 0.458, support = 1.57, residual support = 2.82: HA ILE 101 - HG2 GLU- 18 50.000% * 92.7109% (0.48 1.67 3.05) = 92.711% kept HA HIS+ 98 - HG2 GLU- 18 50.000% * 7.2891% (0.22 0.29 0.02) = 7.289% kept Peak 3653 (4.46, 1.89, 37.06 ppm): 5 chemical-shift based assignments, quality = 0.732, support = 1.31, residual support = 0.814: HA GLN 102 - HG2 GLU- 18 20.000% * 35.7121% (0.82 1.46 1.09) = 35.712% kept HA ILE 100 - HG2 GLU- 18 20.000% * 24.8348% (0.82 1.02 0.53) = 24.835% kept HA LYS+ 32 - HG2 GLU- 18 20.000% * 24.6041% (0.44 1.88 1.18) = 24.604% kept HA GLU- 50 - HG2 GLU- 18 20.000% * 13.9026% (0.93 0.50 0.02) = 13.903% kept HB THR 24 - HG2 GLU- 18 20.000% * 0.9465% (0.17 0.18 0.02) = 0.946% Peak 3654 (1.28, 1.59, 36.44 ppm): 6 chemical-shift based assignments, quality = 0.901, support = 3.12, residual support = 36.0: O T HG2 LYS+ 32 - HB3 LYS+ 32 16.667% * 94.4154% (0.92 10.0 10.00 3.28 38.08) = 94.415% kept HG13 ILE 101 - HB3 LYS+ 32 16.667% * 3.1043% (0.92 1.0 1.00 0.66 0.46) = 3.104% kept HB2 LYS+ 55 - HB3 LYS+ 32 16.667% * 1.3656% (0.48 1.0 1.00 0.55 1.67) = 1.366% kept T HG2 LYS+ 81 - HB3 LYS+ 32 16.667% * 0.9871% (0.96 1.0 10.00 0.02 0.82) = 0.987% HB3 LEU 74 - HB3 LYS+ 32 16.667% * 0.1021% (0.99 1.0 1.00 0.02 1.05) = 0.102% QB ALA 103 - HB3 LYS+ 32 16.667% * 0.0255% (0.25 1.0 1.00 0.02 0.02) = 0.026% Peak 3655 (1.13, 1.59, 36.44 ppm): 4 chemical-shift based assignments, quality = 0.929, support = 3.2, residual support = 35.8: O HG3 LYS+ 32 - HB3 LYS+ 32 25.000% * 90.1449% (0.97 10.0 3.11 38.08) = 90.145% kept QB ALA 33 - HB3 LYS+ 32 25.000% * 9.7687% (0.52 1.0 4.04 15.04) = 9.769% kept QG2 THR 61 - HB3 LYS+ 32 25.000% * 0.0703% (0.76 1.0 0.02 0.55) = 0.070% QG2 THR 79 - HB3 LYS+ 32 25.000% * 0.0161% (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 = 0.339, support = 0.855, residual support = 6.28: HA THR 61 - HB3 PRO 31 8.333% * 35.2513% (0.35 1.11 0.84) = 35.251% kept HA2 GLY 30 - HB3 PRO 31 8.333% * 32.9209% (0.37 0.98 15.37) = 32.921% kept HA LYS+ 20 - HB3 PRO 31 8.333% * 18.0198% (0.31 0.64 4.47) = 18.020% kept HA THR 39 - HB3 PRO 31 8.333% * 8.1133% (0.37 0.24 0.02) = 8.113% kept HA VAL 99 - HB ILE 101 8.333% * 3.2184% (0.15 0.24 3.72) = 3.218% kept HA VAL 99 - HB3 PRO 31 8.333% * 0.5630% (0.31 0.02 0.02) = 0.563% HA GLN 16 - HB3 PRO 31 8.333% * 0.4630% (0.26 0.02 0.02) = 0.463% HA THR 39 - HB ILE 101 8.333% * 0.3242% (0.18 0.02 0.02) = 0.324% HA2 GLY 30 - HB ILE 101 8.333% * 0.3242% (0.18 0.02 0.02) = 0.324% HA THR 61 - HB ILE 101 8.333% * 0.3074% (0.17 0.02 0.02) = 0.307% HA LYS+ 20 - HB ILE 101 8.333% * 0.2714% (0.15 0.02 0.02) = 0.271% HA GLN 16 - HB ILE 101 8.333% * 0.2232% (0.12 0.02 0.02) = 0.223% Peak 3657 (4.47, 2.05, 35.94 ppm): 12 chemical-shift based assignments, quality = 0.22, support = 2.91, residual support = 15.4: HA ILE 100 - HB ILE 101 8.333% * 39.2812% (0.17 3.98 16.77) = 39.281% kept HA GLN 102 - HB ILE 101 8.333% * 30.3530% (0.17 3.07 27.51) = 30.353% kept HA LYS+ 32 - HB3 PRO 31 8.333% * 28.6577% (0.35 1.46 1.60) = 28.658% kept HA GLN 102 - HB3 PRO 31 8.333% * 0.4100% (0.36 0.02 0.02) = 0.410% HA ILE 100 - HB3 PRO 31 8.333% * 0.4100% (0.36 0.02 0.02) = 0.410% HA GLU- 50 - HB3 PRO 31 8.333% * 0.2068% (0.18 0.02 0.02) = 0.207% HA SER 77 - HB3 PRO 31 8.333% * 0.1905% (0.17 0.02 0.02) = 0.190% HA LYS+ 32 - HB ILE 101 8.333% * 0.1890% (0.17 0.02 0.46) = 0.189% HA GLU- 50 - HB ILE 101 8.333% * 0.0997% (0.09 0.02 0.02) = 0.100% HA SER 77 - HB ILE 101 8.333% * 0.0918% (0.08 0.02 0.02) = 0.092% HB THR 79 - HB3 PRO 31 8.333% * 0.0744% (0.07 0.02 0.02) = 0.074% HB THR 79 - HB ILE 101 8.333% * 0.0359% (0.03 0.02 0.02) = 0.036% Peak 3658 (3.53, 2.05, 35.94 ppm): 6 chemical-shift based assignments, quality = 0.226, support = 0.0503, residual support = 0.21: HB2 SER 69 - HB ILE 101 16.667% * 28.8732% (0.08 0.13 0.02) = 28.873% kept HA1 GLY 26 - HB3 PRO 31 16.667% * 21.3179% (0.37 0.02 0.02) = 21.318% kept HA LYS+ 44 - HB3 PRO 31 16.667% * 20.2108% (0.35 0.02 0.96) = 20.211% kept HA1 GLY 26 - HB ILE 101 16.667% * 10.2765% (0.18 0.02 0.02) = 10.277% kept HA LYS+ 44 - HB ILE 101 16.667% * 9.7428% (0.17 0.02 0.02) = 9.743% kept HB2 SER 69 - HB3 PRO 31 16.667% * 9.5788% (0.17 0.02 0.02) = 9.579% kept Not enough support, support cutoff is 0.30 Peak unassigned. 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): 8 chemical-shift based assignments, quality = 0.169, support = 3.76, residual support = 28.4: O HG2 PRO 31 - HB3 PRO 31 12.500% * 98.2684% (0.17 10.0 1.00 3.82 28.87) = 98.268% kept T HB3 GLU- 18 - HB3 PRO 31 12.500% * 1.0365% (0.18 1.0 10.00 0.02 0.02) = 1.037% kept HG3 LYS+ 63 - HB3 PRO 31 12.500% * 0.4251% (0.17 1.0 1.00 0.08 0.02) = 0.425% HG3 ARG+ 53 - HB3 PRO 31 12.500% * 0.1086% (0.19 1.0 1.00 0.02 0.02) = 0.109% HB3 LYS+ 108 - HB3 PRO 31 12.500% * 0.0576% (0.10 1.0 1.00 0.02 0.02) = 0.058% HB3 LYS+ 63 - HB3 PRO 31 12.500% * 0.0576% (0.10 1.0 1.00 0.02 0.02) = 0.058% HB2 LEU 17 - HB3 PRO 31 12.500% * 0.0244% (0.04 1.0 1.00 0.02 0.02) = 0.024% HB3 ARG+ 84 - HB3 PRO 31 12.500% * 0.0217% (0.04 1.0 1.00 0.02 0.02) = 0.022% Peak 3663 (1.36, 2.04, 35.72 ppm): 8 chemical-shift based assignments, quality = 0.18, support = 1.95, residual support = 2.54: HB3 LYS+ 20 - HB3 PRO 31 12.500% * 56.5782% (0.18 3.05 4.47) = 56.578% kept HB3 LEU 17 - HB3 PRO 31 12.500% * 10.6481% (0.19 0.56 0.02) = 10.648% kept QB ALA 11 - HB3 PRO 31 12.500% * 10.0951% (0.18 0.56 0.02) = 10.095% kept HG3 LYS+ 81 - HB3 PRO 31 12.500% * 9.8458% (0.18 0.53 0.02) = 9.846% kept HG3 ARG+ 22 - HB3 PRO 31 12.500% * 9.8458% (0.18 0.53 0.02) = 9.846% kept QG2 THR 39 - HB3 PRO 31 12.500% * 2.6041% (0.09 0.28 0.02) = 2.604% kept HG2 LYS+ 78 - HB3 PRO 31 12.500% * 0.2641% (0.13 0.02 0.02) = 0.264% HG13 ILE 68 - HB3 PRO 31 12.500% * 0.1187% (0.06 0.02 0.02) = 0.119% 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): 9 chemical-shift based assignments, quality = 0.162, support = 0.3, residual support = 0.0789: T QG2 THR 96 - HB3 PRO 31 11.111% * 64.4924% (0.17 10.00 0.26 0.02) = 64.492% kept QG2 ILE 101 - HB3 PRO 31 11.111% * 14.4564% (0.19 1.00 0.53 0.24) = 14.456% kept QD1 ILE 19 - HB3 PRO 31 11.111% * 8.4986% (0.15 1.00 0.38 0.22) = 8.499% kept HG12 ILE 19 - HB3 PRO 31 11.111% * 5.0557% (0.13 1.00 0.27 0.22) = 5.056% kept T QG2 VAL 94 - HB3 PRO 31 11.111% * 4.0088% (0.14 10.00 0.02 0.02) = 4.009% kept QG1 VAL 62 - HB3 PRO 31 11.111% * 2.3307% (0.04 1.00 0.38 0.02) = 2.331% kept QG2 ILE 48 - HB3 PRO 31 11.111% * 0.5296% (0.18 1.00 0.02 0.02) = 0.530% QG2 ILE 68 - HB3 PRO 31 11.111% * 0.4009% (0.14 1.00 0.02 0.02) = 0.401% HG LEU 74 - HB3 PRO 31 11.111% * 0.2270% (0.08 1.00 0.02 0.02) = 0.227% Not enough quality. Peak unassigned. Peak 3667 (4.25, 2.87, 38.31 ppm): 20 chemical-shift based assignments, quality = 0.281, support = 1.62, residual support = 1.53: O HA ASN 76 - HB3 ASN 76 5.000% * 93.2715% (0.29 10.0 1.67 1.63) = 93.272% kept HA GLU- 75 - HB3 ASN 76 5.000% * 4.8526% (0.21 1.0 1.22 0.10) = 4.853% kept HA SER 85 - HB3 ASN 76 5.000% * 0.7183% (0.08 1.0 0.45 0.02) = 0.718% HA ALA 11 - HB3 ASN 76 5.000% * 0.1145% (0.30 1.0 0.02 0.02) = 0.115% HA PRO 59 - HB3 ASN 76 5.000% * 0.1115% (0.29 1.0 0.02 0.02) = 0.112% HA GLU- 107 - HB3 ASN 76 5.000% * 0.1093% (0.28 1.0 0.02 0.02) = 0.109% HA GLU- 56 - HB3 ASN 76 5.000% * 0.1067% (0.28 1.0 0.02 0.02) = 0.107% HA GLU- 10 - HB3 ASN 76 5.000% * 0.0883% (0.23 1.0 0.02 0.02) = 0.088% HA LYS+ 108 - HB3 ASN 76 5.000% * 0.0883% (0.23 1.0 0.02 0.02) = 0.088% HA GLU- 54 - HB3 ASN 76 5.000% * 0.0883% (0.23 1.0 0.02 0.02) = 0.088% HA GLU- 64 - HB3 ASN 76 5.000% * 0.0748% (0.19 1.0 0.02 0.02) = 0.075% HA ALA 42 - HB3 ASN 76 5.000% * 0.0654% (0.17 1.0 0.02 0.02) = 0.065% HA SER 49 - HB3 ASN 76 5.000% * 0.0563% (0.15 1.0 0.02 0.02) = 0.056% HA GLU- 18 - HB3 ASN 76 5.000% * 0.0518% (0.13 1.0 0.02 0.02) = 0.052% HA VAL 65 - HB3 ASN 76 5.000% * 0.0394% (0.10 1.0 0.02 0.02) = 0.039% HB3 SER 49 - HB3 ASN 76 5.000% * 0.0377% (0.10 1.0 0.02 0.02) = 0.038% HA PRO 52 - HB3 ASN 76 5.000% * 0.0321% (0.08 1.0 0.02 0.02) = 0.032% HA ARG+ 84 - HB3 ASN 76 5.000% * 0.0321% (0.08 1.0 0.02 0.02) = 0.032% HD3 PRO 59 - HB3 ASN 76 5.000% * 0.0321% (0.08 1.0 0.02 0.02) = 0.032% HA VAL 94 - HB3 ASN 76 5.000% * 0.0288% (0.08 1.0 0.02 0.02) = 0.029% Peak 3668 (3.81, 2.87, 38.31 ppm): 3 chemical-shift based assignments, quality = 0.26, support = 0.02, residual support = 0.02: HB3 SER 41 - HB3 ASN 76 33.333% * 38.8361% (0.29 0.02 0.02) = 38.836% kept HD3 PRO 86 - HB3 ASN 76 33.333% * 35.5330% (0.27 0.02 0.02) = 35.533% kept HA2 GLY 92 - HB3 ASN 76 33.333% * 25.6308% (0.19 0.02 0.02) = 25.631% kept Not enough support, support cutoff is 0.30 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 0.30 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): 2 chemical-shift based assignments, quality = 0.178, support = 3.4, residual support = 57.2: O HA TYR 83 - HB2 TYR 83 50.000% * 99.5387% (0.18 10.0 3.41 57.49) = 99.539% kept HA ASN 89 - HB2 TYR 83 50.000% * 0.4613% (0.10 1.0 0.17 0.11) = 0.461% Peak 3672 (4.65, 3.35, 39.08 ppm): 2 chemical-shift based assignments, quality = 0.177, support = 3.4, residual support = 57.2: O HA TYR 83 - HB3 TYR 83 50.000% * 99.5387% (0.18 10.0 3.41 57.49) = 99.539% kept HA ASN 89 - HB3 TYR 83 50.000% * 0.4613% (0.10 1.0 0.17 0.11) = 0.461% Peak 3673 (3.87, 1.74, 38.63 ppm): 7 chemical-shift based assignments, quality = 0.58, support = 1.53, residual support = 3.01: HA GLU- 45 - HB ILE 48 14.286% * 27.0786% (0.66 1.89 9.41) = 27.079% kept HB2 SER 85 - HB ILE 48 14.286% * 26.6236% (0.52 2.38 1.50) = 26.624% kept HD2 PRO 86 - HB ILE 48 14.286% * 12.8925% (0.52 1.15 0.15) = 12.892% kept HB3 SER 27 - HB ILE 48 14.286% * 10.9483% (0.65 0.77 0.27) = 10.948% kept HD3 PRO 35 - HB ILE 48 14.286% * 9.5139% (0.61 0.72 0.11) = 9.514% kept HB3 SER 77 - HB ILE 48 14.286% * 8.5564% (0.54 0.73 0.02) = 8.556% kept HB3 SER 88 - HB ILE 48 14.286% * 4.3868% (0.49 0.41 0.02) = 4.387% kept Peak 3674 (3.43, 1.74, 38.63 ppm): 4 chemical-shift based assignments, quality = 0.64, support = 6.01, residual support = 125.8: O T HA ILE 48 - HB ILE 48 25.000% * 95.4692% (0.65 10.0 10.00 6.25 131.63) = 95.469% kept HA VAL 62 - HB ILE 48 25.000% * 3.8463% (0.46 1.0 1.00 1.13 4.15) = 3.846% kept HA VAL 40 - HB ILE 48 25.000% * 0.6626% (0.17 1.0 1.00 0.54 0.19) = 0.663% HA VAL 80 - HB ILE 48 25.000% * 0.0220% (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 = 131.6: O T QD1 ILE 48 - HB ILE 48 50.000% * 50.0000% (0.77 10.0 10.00 5.81 131.63) = 50.000% kept O HG12 ILE 48 - HB ILE 48 50.000% * 50.0000% (0.77 10.0 1.00 5.28 131.63) = 50.000% kept Peak 3676 (7.07, 3.35, 39.09 ppm): 2 chemical-shift based assignments, quality = 0.304, support = 3.52, residual support = 57.4: O T QD TYR 83 - HB3 TYR 83 50.000% * 99.7555% (0.30 10.0 10.00 3.53 57.49) = 99.755% kept QE PHE 21 - HB3 TYR 83 50.000% * 0.2445% (0.08 1.0 1.00 0.19 0.02) = 0.245% Peak 3677 (7.68, 3.35, 39.09 ppm): 1 chemical-shift based assignment, quality = 0.304, support = 3.59, residual support = 57.5: O HN TYR 83 - HB3 TYR 83 100.000% *100.0000% (0.30 10.0 3.59 57.49) = 100.000% kept Peak 3678 (7.68, 2.33, 39.09 ppm): 1 chemical-shift based assignment, quality = 0.304, support = 3.59, residual support = 57.5: O HN TYR 83 - HB2 TYR 83 100.000% *100.0000% (0.30 10.0 3.59 57.49) = 100.000% kept Peak 3679 (6.89, 2.74, 39.91 ppm): 2 chemical-shift based assignments, quality = 0.246, support = 3.11, residual support = 33.5: O QD PHE 21 - HB3 PHE 21 50.000% * 99.9116% (0.25 10.0 3.11 33.51) = 99.912% kept HD22 ASN 15 - HB3 PHE 21 50.000% * 0.0884% (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 = 0.104, support = 2.22, residual support = 19.2: O HN PHE 21 - HB3 PHE 21 16.667% * 52.4391% (0.04 10.0 2.81 33.51) = 52.439% kept HN MET 97 - HB3 PHE 21 16.667% * 20.2651% (0.22 1.0 1.37 1.37) = 20.265% kept HN ARG+ 22 - HB3 PHE 21 16.667% * 13.7973% (0.07 1.0 2.92 5.80) = 13.797% kept HN ILE 19 - HB3 PHE 21 16.667% * 9.3744% (0.25 1.0 0.56 5.62) = 9.374% kept HN LEU 17 - HB3 PHE 21 16.667% * 3.8107% (0.17 1.0 0.33 0.02) = 3.811% kept HN THR 96 - HB3 PHE 21 16.667% * 0.3135% (0.06 1.0 0.08 0.02) = 0.313% Peak 3681 (6.89, 2.97, 39.90 ppm): 2 chemical-shift based assignments, quality = 0.324, support = 2.05, residual support = 33.5: O QD PHE 21 - HB2 PHE 21 50.000% * 99.9116% (0.32 10.0 2.06 33.51) = 99.912% kept HD22 ASN 15 - HB2 PHE 21 50.000% * 0.0884% (0.29 1.0 0.02 0.02) = 0.088% Peak 3682 (8.98, 2.97, 39.90 ppm): 3 chemical-shift based assignments, quality = 0.182, support = 0.911, residual support = 3.32: HN ILE 19 - HB2 PHE 21 33.333% * 47.8112% (0.25 0.64 5.62) = 47.811% kept HN MET 97 - HB2 PHE 21 33.333% * 46.3739% (0.12 1.27 1.37) = 46.374% kept HN LEU 17 - HB2 PHE 21 33.333% * 5.8149% (0.07 0.27 0.02) = 5.815% kept Not enough quality. Peak unassigned. Peak 3683 (7.63, 2.62, 40.25 ppm): 3 chemical-shift based assignments, quality = 0.483, support = 2.72, residual support = 20.4: O HN ASP- 25 - HB2 ASP- 25 33.333% * 90.8712% (0.45 10.0 2.94 22.49) = 90.871% kept HD21 ASN 57 - HB2 ASP- 25 33.333% * 5.7295% (0.87 1.0 0.65 0.02) = 5.730% kept HD21 ASN 89 - HB2 ASP- 25 33.333% * 3.3993% (0.76 1.0 0.44 0.02) = 3.399% kept Peak 3684 (3.11, 2.62, 40.25 ppm): 5 chemical-shift based assignments, quality = 0.919, support = 1.99, residual support = 22.4: O T HB3 ASP- 25 - HB2 ASP- 25 20.000% * 99.5309% (0.92 10.0 10.00 2.00 22.49) = 99.531% kept T HA1 GLY 58 - HB2 ASP- 25 20.000% * 0.3059% (0.28 1.0 10.00 0.02 0.02) = 0.306% HE3 LYS+ 72 - HB2 ASP- 25 20.000% * 0.0654% (0.61 1.0 1.00 0.02 0.02) = 0.065% HE3 LYS+ 108 - HB2 ASP- 25 20.000% * 0.0610% (0.57 1.0 1.00 0.02 0.02) = 0.061% HA VAL 47 - HB2 ASP- 25 20.000% * 0.0368% (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 = 0.02: 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 0.02) = 15.037% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3688 (8.89, 2.64, 40.90 ppm): 6 chemical-shift based assignments, quality = 0.525, support = 3.07, residual support = 16.0: O HN ASP- 36 - HB3 ASP- 36 16.667% * 99.5793% (0.53 10.0 3.08 16.03) = 99.579% kept HN ASP- 36 - HB3 ASP- 82 16.667% * 0.2713% (0.16 1.0 0.18 0.02) = 0.271% HN GLN 102 - HB3 ASP- 36 16.667% * 0.0942% (0.50 1.0 0.02 0.02) = 0.094% HN GLN 102 - HB3 ASP- 82 16.667% * 0.0278% (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% * 0.0062% (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 = 3.24, residual support = 16.0: O HN ASP- 36 - HB2 ASP- 36 33.333% * 99.8843% (0.64 10.0 3.25 16.03) = 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): 2 chemical-shift based assignments, quality = 0.697, support = 3.46, residual support = 16.2: HN ALA 37 - HB2 ASP- 36 50.000% * 95.1556% (0.71 3.62 17.04) = 95.156% kept HN ALA 42 - HB2 ASP- 36 50.000% * 4.8444% (0.50 0.26 0.02) = 4.844% kept Peak 3691 (7.75, 2.64, 40.90 ppm): 4 chemical-shift based assignments, quality = 0.576, support = 2.47, residual support = 16.9: HN ALA 37 - HB3 ASP- 36 25.000% * 99.0368% (0.58 2.49 17.04) = 99.037% kept HN ALA 42 - HB3 ASP- 36 25.000% * 0.5623% (0.41 0.02 0.02) = 0.562% HN ALA 37 - HB3 ASP- 82 25.000% * 0.2349% (0.17 0.02 0.02) = 0.235% HN ALA 42 - HB3 ASP- 82 25.000% * 0.1661% (0.12 0.02 0.02) = 0.166% Peak 3692 (8.96, 1.92, 41.19 ppm): 12 chemical-shift based assignments, quality = 0.526, support = 2.92, residual support = 10.9: HN ARG+ 22 - HB ILE 29 8.333% * 42.9281% (0.69 2.84 4.59) = 42.928% kept HN PHE 21 - HB ILE 29 8.333% * 38.0288% (0.51 3.40 21.88) = 38.029% kept HN ARG+ 22 - HB2 LEU 23 8.333% * 11.1034% (0.16 3.13 5.13) = 11.103% kept HN PHE 21 - HB2 LEU 23 8.333% * 3.3768% (0.12 1.28 0.94) = 3.377% kept HN ILE 19 - HB2 LEU 23 8.333% * 1.8693% (0.13 0.66 1.16) = 1.869% kept HN MET 97 - HB ILE 29 8.333% * 1.5431% (0.85 0.08 0.02) = 1.543% kept HN LEU 17 - HB ILE 29 8.333% * 0.3951% (0.90 0.02 11.28) = 0.395% HN THR 96 - HB ILE 29 8.333% * 0.2714% (0.62 0.02 0.02) = 0.271% HN ILE 19 - HB ILE 29 8.333% * 0.2396% (0.55 0.02 0.02) = 0.240% HN LEU 17 - HB2 LEU 23 8.333% * 0.0929% (0.21 0.02 0.19) = 0.093% HN MET 97 - HB2 LEU 23 8.333% * 0.0878% (0.20 0.02 0.02) = 0.088% HN THR 96 - HB2 LEU 23 8.333% * 0.0638% (0.15 0.02 0.02) = 0.064% Peak 3695 (7.97, 1.17, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.629, support = 7.06, residual support = 144.4: O HN LEU 43 - HB2 LEU 43 25.000% * 97.4835% (0.63 10.0 7.23 148.16) = 97.484% kept HN LYS+ 72 - HB2 LEU 43 25.000% * 2.3345% (0.59 1.0 0.51 0.02) = 2.334% kept HN LEU 43 - HB2 LEU 74 25.000% * 0.0939% (0.61 1.0 0.02 0.02) = 0.094% HN LYS+ 72 - HB2 LEU 74 25.000% * 0.0881% (0.57 1.0 0.02 0.02) = 0.088% Peak 3696 (7.01, 1.17, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.15, support = 2.49, residual support = 9.96: QE PHE 21 - HB2 LEU 43 50.000% * 84.9479% (0.15 2.83 11.70) = 84.948% kept QE PHE 21 - HB2 LEU 74 50.000% * 15.0521% (0.15 0.52 0.12) = 15.052% kept Peak 3697 (6.88, 1.17, 41.87 ppm): 6 chemical-shift based assignments, quality = 0.715, support = 1.25, residual support = 8.64: QD PHE 21 - HB2 LEU 43 16.667% * 54.3085% (0.92 1.47 11.70) = 54.308% kept HZ PHE 21 - HB2 LEU 43 16.667% * 18.9775% (0.27 1.75 11.70) = 18.977% kept HD22 ASN 15 - HB2 LEU 43 16.667% * 13.1428% (0.55 0.59 0.39) = 13.143% kept QD PHE 21 - HB2 LEU 74 16.667% * 8.8200% (0.89 0.25 0.12) = 8.820% kept HZ PHE 21 - HB2 LEU 74 16.667% * 4.3250% (0.26 0.41 0.12) = 4.325% kept HD22 ASN 15 - HB2 LEU 74 16.667% * 0.4263% (0.53 0.02 0.23) = 0.426% Peak 3698 (7.97, 2.11, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.642, support = 6.56, residual support = 145.1: O HN LEU 43 - HB3 LEU 43 50.000% * 97.9550% (0.64 10.0 6.69 148.16) = 97.955% kept HN LYS+ 72 - HB3 LEU 43 50.000% * 2.0450% (0.60 1.0 0.45 0.02) = 2.045% kept Peak 3699 (7.02, 2.11, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.248, support = 3.02, residual support = 11.7: QE PHE 21 - HB3 LEU 43 100.000% *100.0000% (0.25 3.02 11.70) = 100.000% kept Peak 3700 (6.88, 2.11, 41.87 ppm): 3 chemical-shift based assignments, quality = 0.814, support = 1.21, residual support = 8.95: QD PHE 21 - HB3 LEU 43 33.333% * 61.8701% (0.99 1.31 11.70) = 61.870% kept HD22 ASN 15 - HB3 LEU 43 33.333% * 24.3669% (0.72 0.71 0.39) = 24.367% kept HZ PHE 21 - HB3 LEU 43 33.333% * 13.7630% (0.17 1.66 11.70) = 13.763% kept Peak 3701 (9.46, 1.62, 41.82 ppm): 1 chemical-shift based assignment, quality = 0.833, support = 2.9, residual support = 12.2: HN HIS+ 98 - HB ILE 68 100.000% *100.0000% (0.83 2.90 12.21) = 100.000% kept Peak 3702 (9.34, 1.74, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.0671, support = 4.49, residual support = 15.2: HN THR 24 - HB3 LEU 23 100.000% *100.0000% (0.07 4.49 15.17) = 100.000% kept Peak 3703 (9.05, 2.64, 41.23 ppm): 8 chemical-shift based assignments, quality = 0.357, support = 2.34, residual support = 3.28: HN THR 79 - HB3 ASP- 82 12.500% * 54.9562% (0.35 3.34 5.72) = 54.956% kept HN LYS+ 66 - HB3 ASP- 82 12.500% * 25.5993% (0.35 1.56 0.44) = 25.599% kept HN GLU- 54 - HB3 ASP- 82 12.500% * 10.1549% (0.46 0.48 0.23) = 10.155% kept HN GLY 30 - HB3 ASP- 82 12.500% * 8.9713% (0.29 0.66 0.02) = 8.971% kept HN GLU- 54 - HB3 ASP- 36 12.500% * 0.1002% (0.11 0.02 0.02) = 0.100% HN LYS+ 66 - HB3 ASP- 36 12.500% * 0.0773% (0.08 0.02 0.02) = 0.077% HN THR 79 - HB3 ASP- 36 12.500% * 0.0773% (0.08 0.02 0.02) = 0.077% HN GLY 30 - HB3 ASP- 36 12.500% * 0.0635% (0.07 0.02 0.02) = 0.064% Peak 3704 (9.05, 2.17, 41.26 ppm): 4 chemical-shift based assignments, quality = 0.365, support = 1.16, residual support = 2.48: HN THR 79 - HB2 ASP- 82 25.000% * 40.5237% (0.33 1.58 5.72) = 40.524% kept HN GLU- 54 - HB2 ASP- 82 25.000% * 34.8176% (0.43 1.05 0.23) = 34.818% kept HN LYS+ 66 - HB2 ASP- 82 25.000% * 18.2147% (0.33 0.71 0.44) = 18.215% kept HN GLY 30 - HB2 ASP- 82 25.000% * 6.4440% (0.27 0.31 0.02) = 6.444% kept Peak 3705 (8.26, 2.72, 41.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3706 (8.26, 2.53, 41.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3707 (4.86, 2.53, 41.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3708 (4.86, 2.72, 41.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3709 (5.08, 2.60, 42.79 ppm): 2 chemical-shift based assignments, quality = 0.392, support = 1.21, residual support = 37.0: O HA PHE 34 - HB2 PHE 34 50.000% * 98.7630% (0.39 10.0 1.22 37.49) = 98.763% kept HA PHE 34 - HA1 GLY 58 50.000% * 1.2370% (0.48 1.0 0.12 0.02) = 1.237% kept Peak 3710 (7.33, 3.17, 42.79 ppm): 18 chemical-shift based assignments, quality = 0.609, support = 2.81, residual support = 35.9: O QD PHE 34 - HB3 PHE 34 5.556% * 72.6809% (0.58 10.0 3.10 37.49) = 72.681% kept QE PHE 34 - HB3 PHE 34 5.556% * 12.0422% (0.80 1.0 2.41 37.49) = 12.042% kept HZ PHE 34 - HB3 PHE 34 5.556% * 10.9199% (0.80 1.0 2.18 37.49) = 10.920% kept HZ2 TRP 51 - HA1 GLY 58 5.556% * 1.5109% (0.21 1.0 1.13 4.39) = 1.511% kept HN ARG+ 84 - HA1 GLY 58 5.556% * 1.2700% (0.13 1.0 1.57 0.56) = 1.270% kept HZ PHE 34 - HA1 GLY 58 5.556% * 0.5226% (0.21 1.0 0.39 0.02) = 0.523% QE PHE 34 - HA1 GLY 58 5.556% * 0.4000% (0.21 1.0 0.30 0.02) = 0.400% QD PHE 34 - HA1 GLY 58 5.556% * 0.3795% (0.15 1.0 0.39 0.02) = 0.379% HZ2 TRP 51 - HB3 PHE 34 5.556% * 0.1001% (0.80 1.0 0.02 0.02) = 0.100% HN VAL 47 - HB3 PHE 34 5.556% * 0.0647% (0.52 1.0 0.02 2.89) = 0.065% HN ARG+ 84 - HB3 PHE 34 5.556% * 0.0607% (0.48 1.0 0.02 0.12) = 0.061% HN VAL 47 - HA1 GLY 58 5.556% * 0.0173% (0.14 1.0 0.02 0.02) = 0.017% HZ2 TRP 51 - HE3 LYS+ 108 5.556% * 0.0063% (0.05 1.0 0.02 0.02) = 0.006% QE PHE 34 - HE3 LYS+ 108 5.556% * 0.0063% (0.05 1.0 0.02 0.02) = 0.006% HZ PHE 34 - HE3 LYS+ 108 5.556% * 0.0063% (0.05 1.0 0.02 0.02) = 0.006% QD PHE 34 - HE3 LYS+ 108 5.556% * 0.0046% (0.04 1.0 0.02 0.02) = 0.005% HN VAL 47 - HE3 LYS+ 108 5.556% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% HN ARG+ 84 - HE3 LYS+ 108 5.556% * 0.0038% (0.03 1.0 0.02 0.02) = 0.004% Peak 3711 (8.77, 3.17, 42.79 ppm): 12 chemical-shift based assignments, quality = 0.628, support = 2.92, residual support = 36.9: O HN PHE 34 - HB3 PHE 34 8.333% * 98.2954% (0.64 10.0 2.97 37.49) = 98.295% kept HN SER 69 - HA1 GLY 58 8.333% * 0.9573% (0.14 1.0 0.90 0.02) = 0.957% HN SER 69 - HB3 PHE 34 8.333% * 0.3546% (0.52 1.0 0.09 0.02) = 0.355% HN THR 95 - HA1 GLY 58 8.333% * 0.1473% (0.18 1.0 0.11 0.02) = 0.147% HN THR 95 - HB3 PHE 34 8.333% * 0.1025% (0.67 1.0 0.02 0.02) = 0.103% HN VAL 62 - HB3 PHE 34 8.333% * 0.0745% (0.48 1.0 0.02 0.02) = 0.074% HN PHE 34 - HA1 GLY 58 8.333% * 0.0262% (0.17 1.0 0.02 0.02) = 0.026% HN VAL 62 - HA1 GLY 58 8.333% * 0.0199% (0.13 1.0 0.02 0.02) = 0.020% HN THR 95 - HE3 LYS+ 108 8.333% * 0.0064% (0.04 1.0 0.02 0.02) = 0.006% HN PHE 34 - HE3 LYS+ 108 8.333% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% HN SER 69 - HE3 LYS+ 108 8.333% * 0.0050% (0.03 1.0 0.02 0.02) = 0.005% HN VAL 62 - HE3 LYS+ 108 8.333% * 0.0047% (0.03 1.0 0.02 0.02) = 0.005% Peak 3712 (8.78, 2.60, 42.79 ppm): 8 chemical-shift based assignments, quality = 0.445, support = 3.64, residual support = 33.3: O HN PHE 34 - HB2 PHE 34 12.500% * 88.8144% (0.39 10.0 4.00 37.49) = 88.814% kept HN SER 69 - HA1 GLY 58 12.500% * 9.3903% (0.91 1.0 0.90 0.02) = 9.390% kept HN THR 95 - HA1 GLY 58 12.500% * 1.2094% (0.99 1.0 0.11 0.02) = 1.209% kept HN THR 95 - HB2 PHE 34 12.500% * 0.1821% (0.80 1.0 0.02 0.02) = 0.182% HN SER 69 - HB2 PHE 34 12.500% * 0.1684% (0.74 1.0 0.02 0.02) = 0.168% HN PHE 34 - HA1 GLY 58 12.500% * 0.1096% (0.48 1.0 0.02 0.02) = 0.110% HN VAL 62 - HA1 GLY 58 12.500% * 0.0695% (0.31 1.0 0.02 0.02) = 0.069% HN VAL 62 - HB2 PHE 34 12.500% * 0.0563% (0.25 1.0 0.02 0.02) = 0.056% Peak 3713 (5.08, 3.17, 42.79 ppm): 3 chemical-shift based assignments, quality = 0.177, support = 2.66, residual support = 37.4: O HA PHE 34 - HB3 PHE 34 33.333% * 99.8289% (0.18 10.0 2.67 37.49) = 99.829% kept HA PHE 34 - HA1 GLY 58 33.333% * 0.1648% (0.05 1.0 0.12 0.02) = 0.165% HA PHE 34 - HE3 LYS+ 108 33.333% * 0.0063% (0.01 1.0 0.02 0.02) = 0.006% Peak 3714 (4.79, 1.73, 41.57 ppm): 3 chemical-shift based assignments, quality = 0.694, support = 4.7, residual support = 115.2: O HA LEU 23 - HB3 LEU 23 33.333% * 96.4303% (0.70 10.0 4.85 119.42) = 96.430% kept HA ASN 15 - HB3 LEU 23 33.333% * 3.3747% (0.60 1.0 0.82 0.02) = 3.375% kept HB THR 39 - HB3 LEU 23 33.333% * 0.1951% (0.30 1.0 0.09 0.02) = 0.195% Peak 3715 (4.79, 1.93, 41.57 ppm): 6 chemical-shift based assignments, quality = 0.695, support = 5.09, residual support = 117.3: O HA LEU 23 - HB2 LEU 23 16.667% * 98.2192% (0.70 10.0 5.18 119.42) = 98.219% kept HA ASN 15 - HB2 LEU 23 16.667% * 1.4981% (0.60 1.0 0.36 0.02) = 1.498% kept HB THR 39 - HB2 LEU 23 16.667% * 0.1987% (0.30 1.0 0.09 0.02) = 0.199% HA LEU 23 - HB ILE 29 16.667% * 0.0368% (0.26 1.0 0.02 14.94) = 0.037% HA ASN 15 - HB ILE 29 16.667% * 0.0315% (0.22 1.0 0.02 1.01) = 0.032% HB THR 39 - HB ILE 29 16.667% * 0.0157% (0.11 1.0 0.02 0.02) = 0.016% Peak 3717 (2.72, 1.93, 41.57 ppm): 6 chemical-shift based assignments, quality = 0.562, support = 1.65, residual support = 6.28: HA1 GLY 58 - HB2 LEU 23 16.667% * 32.2074% (0.84 1.50 4.84) = 32.207% kept HB3 PHE 21 - HB2 LEU 23 16.667% * 19.9579% (0.81 0.97 0.94) = 19.958% kept HB3 PHE 21 - HB ILE 29 16.667% * 17.9960% (0.30 2.34 21.88) = 17.996% kept HE3 LYS+ 20 - HB2 LEU 23 16.667% * 13.6520% (0.24 2.21 2.23) = 13.652% kept HA1 GLY 58 - HB ILE 29 16.667% * 12.7730% (0.31 1.59 2.20) = 12.773% kept HE3 LYS+ 20 - HB ILE 29 16.667% * 3.4138% (0.09 1.47 0.29) = 3.414% kept Peak 3718 (0.28, 1.73, 41.57 ppm): 1 chemical-shift based assignment, quality = 0.757, support = 5.07, residual support = 119.4: O QD2 LEU 23 - HB3 LEU 23 100.000% *100.0000% (0.76 10.0 5.07 119.42) = 100.000% kept Peak 3719 (0.28, 1.93, 41.56 ppm): 2 chemical-shift based assignments, quality = 0.685, support = 4.38, residual support = 90.4: O T QD2 LEU 23 - HB2 LEU 23 50.000% * 72.1781% (0.83 10.0 10.00 5.30 119.42) = 72.178% kept T QD2 LEU 23 - HB ILE 29 50.000% * 27.8219% (0.32 1.0 10.00 2.01 14.94) = 27.822% kept Peak 3720 (0.61, 1.93, 41.56 ppm): 4 chemical-shift based assignments, quality = 0.358, support = 4.09, residual support = 90.3: O T QD1 LEU 23 - HB2 LEU 23 25.000% * 72.4994% (0.43 10.0 10.00 4.98 119.42) = 72.499% kept T QD1 LEU 23 - HB ILE 29 25.000% * 25.2153% (0.16 1.0 10.00 1.80 14.94) = 25.215% kept QG2 ILE 48 - HB2 LEU 23 25.000% * 2.2651% (0.31 1.0 1.00 0.86 0.02) = 2.265% kept QG2 ILE 48 - HB ILE 29 25.000% * 0.0202% (0.12 1.0 1.00 0.02 1.88) = 0.020% Peak 3721 (0.62, 1.73, 41.57 ppm): 1 chemical-shift based assignment, quality = 0.4, support = 0.0988, residual support = 0.02: T QG2 ILE 48 - HB3 LEU 23 100.000% *100.0000% (0.40 10.00 0.10 0.02) = 100.000% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3722 (4.58, 2.66, 41.22 ppm): 8 chemical-shift based assignments, quality = 0.494, support = 0.815, residual support = 1.07: HA LYS+ 78 - HB3 ASP- 82 12.500% * 90.0547% (0.51 0.90 1.18) = 90.055% kept HA LYS+ 72 - HB3 ASP- 82 12.500% * 3.0843% (0.78 0.02 0.02) = 3.084% kept HA LYS+ 55 - HB3 ASP- 82 12.500% * 2.5881% (0.14 0.10 0.02) = 2.588% kept HA ASP- 25 - HB3 ASP- 82 12.500% * 1.9997% (0.51 0.02 0.02) = 2.000% kept HA LYS+ 72 - HB3 ASP- 36 12.500% * 0.9195% (0.23 0.02 0.02) = 0.919% HA LYS+ 78 - HB3 ASP- 36 12.500% * 0.5962% (0.15 0.02 0.02) = 0.596% HA ASP- 25 - HB3 ASP- 36 12.500% * 0.5962% (0.15 0.02 0.02) = 0.596% HA LYS+ 55 - HB3 ASP- 36 12.500% * 0.1614% (0.04 0.02 0.02) = 0.161% Peak 3723 (-0.07, 2.10, 41.75 ppm): 1 chemical-shift based assignment, quality = 0.117, support = 5.54, residual support = 148.2: O T QD1 LEU 43 - HB3 LEU 43 100.000% *100.0000% (0.12 10.0 10.00 5.54 148.16) = 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 = 4.75, residual support = 148.0: O HA LEU 43 - HB3 LEU 43 50.000% * 99.8719% (0.66 10.0 4.75 148.16) = 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 = 0.504, support = 1.85, residual support = 3.09: HD3 PRO 31 - HB3 LEU 43 20.000% * 28.5748% (0.59 2.02 4.84) = 28.575% kept HA1 GLY 71 - HB3 LEU 43 20.000% * 21.7497% (0.72 1.27 1.12) = 21.750% kept HA VAL 80 - HB3 LEU 43 20.000% * 17.0742% (0.32 2.21 5.12) = 17.074% kept HA1 GLY 30 - HB3 LEU 43 20.000% * 16.5888% (0.45 1.53 0.86) = 16.589% kept HA VAL 40 - HB3 LEU 43 20.000% * 16.0125% (0.29 2.28 2.79) = 16.012% kept Peak 3727 (3.49, 1.16, 41.79 ppm): 6 chemical-shift based assignments, quality = 0.636, support = 1.39, residual support = 1.63: HA1 GLY 30 - HB2 LEU 43 16.667% * 61.8404% (0.87 1.37 0.86) = 61.840% kept HA1 GLY 71 - HB2 LEU 43 16.667% * 18.8376% (0.31 1.18 1.12) = 18.838% kept HD3 PRO 31 - HB2 LEU 43 16.667% * 18.3271% (0.20 1.76 4.84) = 18.327% kept HA1 GLY 30 - HB2 LEU 74 16.667% * 0.6280% (0.61 0.02 0.02) = 0.628% HA1 GLY 71 - HB2 LEU 74 16.667% * 0.2220% (0.21 0.02 0.02) = 0.222% HD3 PRO 31 - HB2 LEU 74 16.667% * 0.1449% (0.14 0.02 0.02) = 0.145% 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): 2 diagonal assignments: HD3 ARG+ 84 - HD3 ARG+ 84 (0.57) kept HD2 ARG+ 53 - HD2 ARG+ 53 (0.12) kept Peak 3730 (3.71, 3.16, 43.82 ppm): 10 chemical-shift based assignments, quality = 0.578, support = 0.371, residual support = 0.255: HB3 SER 69 - HD3 ARG+ 84 10.000% * 54.5078% (0.72 0.48 0.12) = 54.508% kept HB2 TRP 51 - HD3 ARG+ 84 10.000% * 22.3985% (0.47 0.30 0.02) = 22.398% kept HA LYS+ 81 - HD3 ARG+ 84 10.000% * 13.0793% (0.54 0.15 0.56) = 13.079% kept HD2 PRO 52 - HD3 ARG+ 84 10.000% * 6.2944% (0.14 0.29 0.10) = 6.294% kept HD2 PRO 52 - HD2 ARG+ 53 10.000% * 1.4541% (0.04 0.26 7.20) = 1.454% kept HA LEU 43 - HD3 ARG+ 84 10.000% * 0.6852% (0.22 0.02 0.02) = 0.685% HB3 SER 69 - HD2 ARG+ 53 10.000% * 0.5849% (0.19 0.02 0.02) = 0.585% HA LYS+ 81 - HD2 ARG+ 53 10.000% * 0.4353% (0.14 0.02 0.02) = 0.435% HB2 TRP 51 - HD2 ARG+ 53 10.000% * 0.3843% (0.12 0.02 0.02) = 0.384% HA LEU 43 - HD2 ARG+ 53 10.000% * 0.1762% (0.06 0.02 0.02) = 0.176% Not enough total support, support cutoff is 0.60 Peak unassigned. 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): 12 chemical-shift based assignments, quality = 0.775, support = 1.46, residual support = 1.83: HG LEU 23 - HB3 ASP- 82 8.333% * 36.7894% (0.96 1.77 3.07) = 36.789% kept HG3 LYS+ 78 - HB3 ASP- 82 8.333% * 24.8182% (0.64 1.78 1.18) = 24.818% kept HB3 ARG+ 22 - HB3 ASP- 82 8.333% * 17.1221% (0.52 1.51 1.49) = 17.122% kept HG12 ILE 101 - HB3 ASP- 82 8.333% * 13.6489% (0.92 0.69 1.08) = 13.649% kept HG LEU 43 - HB3 ASP- 82 8.333% * 5.0317% (0.89 0.26 0.02) = 5.032% kept HG LEU 43 - HB3 ASP- 36 8.333% * 1.2063% (0.22 0.25 0.02) = 1.206% kept HG12 ILE 101 - HB3 ASP- 36 8.333% * 0.4785% (0.23 0.10 0.02) = 0.479% HB ILE 68 - HB3 ASP- 82 8.333% * 0.3865% (0.89 0.02 0.02) = 0.387% HB3 ARG+ 22 - HB3 ASP- 36 8.333% * 0.2505% (0.13 0.09 0.02) = 0.251% HG LEU 23 - HB3 ASP- 36 8.333% * 0.1030% (0.24 0.02 0.02) = 0.103% HB ILE 68 - HB3 ASP- 36 8.333% * 0.0958% (0.22 0.02 0.69) = 0.096% HG3 LYS+ 78 - HB3 ASP- 36 8.333% * 0.0691% (0.16 0.02 0.02) = 0.069% Peak 3736 (1.64, 2.17, 41.26 ppm): 9 chemical-shift based assignments, quality = 0.609, support = 1.84, residual support = 1.91: HG LEU 23 - HB2 ASP- 82 11.111% * 37.3476% (0.65 2.44 3.07) = 37.348% kept HB3 ARG+ 22 - HB2 ASP- 82 11.111% * 33.5117% (0.74 1.90 1.49) = 33.512% kept HG12 ILE 101 - HB2 ASP- 82 11.111% * 11.1634% (0.58 0.82 1.08) = 11.163% kept HG3 LYS+ 78 - HB2 ASP- 82 11.111% * 9.4361% (0.30 1.31 1.18) = 9.436% kept HB3 LYS+ 66 - HB2 ASP- 82 11.111% * 6.8388% (0.27 1.05 0.44) = 6.839% kept HG LEU 43 - HB2 ASP- 82 11.111% * 1.2460% (0.54 0.10 0.02) = 1.246% kept HB ILE 68 - HB2 ASP- 82 11.111% * 0.2557% (0.54 0.02 0.02) = 0.256% HB ILE 100 - HB2 ASP- 82 11.111% * 0.1172% (0.25 0.02 0.02) = 0.117% HB3 MET 97 - HB2 ASP- 82 11.111% * 0.0834% (0.18 0.02 0.02) = 0.083% 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): 1 chemical-shift based assignment, quality = 0.198, support = 0.778, residual support = 2.23: T QD2 LEU 23 - HE3 LYS+ 20 100.000% *100.0000% (0.20 10.00 0.78 2.23) = 100.000% kept Not enough quality. Peak unassigned. Peak 3739 (0.28, 1.93, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.24, support = 5.3, residual support = 119.4: O T QD2 LEU 23 - HB2 LEU 23 100.000% *100.0000% (0.24 10.0 10.00 5.30 119.42) = 100.000% kept Peak 3740 (0.28, 1.74, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.259, support = 5.07, residual support = 119.4: O QD2 LEU 23 - HB3 LEU 23 100.000% *100.0000% (0.26 10.0 5.07 119.42) = 100.000% kept Peak 3741 (1.93, 1.74, 41.87 ppm): 10 chemical-shift based assignments, quality = 0.255, support = 3.21, residual support = 73.6: O T HB2 LEU 23 - HB3 LEU 23 10.000% * 56.2182% (0.25 10.0 10.00 4.60 119.42) = 56.218% kept T HB ILE 29 - HB3 LEU 23 10.000% * 43.4342% (0.27 1.0 10.00 1.43 14.94) = 43.434% kept HB3 LYS+ 55 - HB3 LEU 23 10.000% * 0.0982% (0.10 1.0 1.00 0.09 0.02) = 0.098% HB3 GLU- 56 - HB3 LEU 23 10.000% * 0.0546% (0.24 1.0 1.00 0.02 0.02) = 0.055% HB2 GLU- 10 - HB3 LEU 23 10.000% * 0.0528% (0.23 1.0 1.00 0.02 0.02) = 0.053% HD3 LYS+ 63 - HB3 LEU 23 10.000% * 0.0418% (0.18 1.0 1.00 0.02 0.48) = 0.042% HB2 GLU- 75 - HB3 LEU 23 10.000% * 0.0345% (0.15 1.0 1.00 0.02 1.32) = 0.034% HB3 GLN 102 - HB3 LEU 23 10.000% * 0.0296% (0.13 1.0 1.00 0.02 0.92) = 0.030% HG3 PRO 31 - HB3 LEU 23 10.000% * 0.0208% (0.09 1.0 1.00 0.02 0.02) = 0.021% HB3 ARG+ 53 - HB3 LEU 23 10.000% * 0.0152% (0.07 1.0 1.00 0.02 0.19) = 0.015% Peak 3742 (1.75, 1.74, 41.87 ppm): 1 diagonal assignment: HB3 LEU 23 - HB3 LEU 23 (0.26) kept Peak 3743 (1.93, 1.93, 41.87 ppm): 1 diagonal assignment: HB2 LEU 23 - HB2 LEU 23 (0.23) kept Peak 3744 (1.75, 1.93, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.243, support = 4.59, residual support = 119.2: O T HB3 LEU 23 - HB2 LEU 23 25.000% * 99.7897% (0.24 10.0 10.00 4.60 119.42) = 99.790% kept HB2 LEU 17 - HB2 LEU 23 25.000% * 0.0963% (0.24 1.0 1.00 0.02 0.19) = 0.096% HB ILE 48 - HB2 LEU 23 25.000% * 0.0913% (0.22 1.0 1.00 0.02 0.02) = 0.091% HB3 GLU- 18 - HB2 LEU 23 25.000% * 0.0227% (0.06 1.0 1.00 0.02 5.70) = 0.023% Peak 3745 (0.93, 1.62, 41.87 ppm): 13 chemical-shift based assignments, quality = 0.946, support = 5.78, residual support = 87.5: O HG12 ILE 68 - HB ILE 68 7.692% * 93.5807% (0.99 10.0 5.92 91.50) = 93.581% kept QD1 LEU 67 - HB ILE 68 7.692% * 5.8282% (0.31 1.0 4.04 31.78) = 5.828% kept QG2 VAL 80 - HB ILE 68 7.692% * 0.0885% (0.94 1.0 0.02 0.02) = 0.089% HB2 ARG+ 84 - HB ILE 68 7.692% * 0.0864% (0.92 1.0 0.02 0.02) = 0.086% QG2 VAL 105 - HB ILE 68 7.692% * 0.0839% (0.89 1.0 0.02 2.25) = 0.084% QD1 LEU 17 - HB ILE 68 7.692% * 0.0812% (0.86 1.0 0.02 0.02) = 0.081% QG1 VAL 105 - HB ILE 68 7.692% * 0.0782% (0.83 1.0 0.02 2.25) = 0.078% QG2 VAL 62 - HB ILE 68 7.692% * 0.0456% (0.48 1.0 0.02 0.02) = 0.046% QG2 VAL 73 - HB ILE 68 7.692% * 0.0351% (0.37 1.0 0.02 2.96) = 0.035% QG2 ILE 29 - HB ILE 68 7.692% * 0.0319% (0.34 1.0 0.02 0.02) = 0.032% QG1 VAL 47 - HB ILE 68 7.692% * 0.0233% (0.25 1.0 0.02 0.02) = 0.023% QG2 VAL 40 - HB ILE 68 7.692% * 0.0185% (0.20 1.0 0.02 0.02) = 0.019% QG2 VAL 87 - HB ILE 68 7.692% * 0.0185% (0.20 1.0 0.02 0.02) = 0.019% 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): 5 chemical-shift based assignments, quality = 0.711, support = 2.96, residual support = 32.0: O HN ASP- 28 - HB2 ASP- 28 20.000% * 97.2136% (0.71 10.0 3.04 32.90) = 97.214% kept HN ALA 91 - HB2 ASP- 28 20.000% * 2.0184% (0.98 1.0 0.30 0.02) = 2.018% kept HN VAL 99 - HB2 ASP- 28 20.000% * 0.6811% (0.63 1.0 0.16 0.45) = 0.681% HN ASN 89 - HB2 ASP- 28 20.000% * 0.0457% (0.33 1.0 0.02 0.02) = 0.046% HN ASN 76 - HB2 ASP- 28 20.000% * 0.0413% (0.30 1.0 0.02 0.02) = 0.041% Peak 3748 (9.31, 2.13, 45.43 ppm): 2 chemical-shift based assignments, quality = 0.816, support = 3.99, residual support = 19.3: HN ILE 29 - HB2 ASP- 28 50.000% * 84.4593% (0.88 4.45 22.47) = 84.459% kept HN LEU 23 - HB2 ASP- 28 50.000% * 15.5407% (0.48 1.51 1.86) = 15.541% kept Peak 3749 (9.31, 2.39, 45.43 ppm): 2 chemical-shift based assignments, quality = 0.82, support = 4.91, residual support = 19.4: HN ILE 29 - HB3 ASP- 28 50.000% * 85.2749% (0.88 5.46 22.47) = 85.275% kept HN LEU 23 - HB3 ASP- 28 50.000% * 14.7251% (0.48 1.74 1.86) = 14.725% kept Peak 3750 (8.51, 1.35, 45.37 ppm): 2 chemical-shift based assignments, quality = 0.159, support = 5.15, residual support = 24.4: HN GLU- 18 - HB3 LEU 17 50.000% * 90.1699% (0.15 5.67 26.99) = 90.170% kept HN GLU- 10 - HB3 LEU 17 50.000% * 9.8301% (0.27 0.34 0.12) = 9.830% kept Peak 3751 (8.52, 1.74, 45.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3752 (3.97, 3.98, 45.56 ppm): 1 diagonal assignment: HA1 GLY 92 - HA1 GLY 92 (0.34) kept Peak 3753 (7.83, 3.98, 45.56 ppm): 3 chemical-shift based assignments, quality = 0.154, support = 2.48, residual support = 12.6: O HN ALA 93 - HA1 GLY 92 33.333% * 99.4325% (0.15 10.0 2.49 12.69) = 99.433% kept HN LYS+ 63 - HA1 GLY 92 33.333% * 0.3505% (0.54 1.0 0.02 0.02) = 0.351% HN LYS+ 55 - HA1 GLY 92 33.333% * 0.2169% (0.34 1.0 0.02 0.02) = 0.217% Peak 3754 (7.83, 3.82, 45.56 ppm): 3 chemical-shift based assignments, quality = 0.175, support = 1.59, residual support = 12.6: O HN ALA 93 - HA2 GLY 92 33.333% * 99.2919% (0.18 10.0 1.60 12.69) = 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): 6 chemical-shift based assignments, quality = 0.548, support = 2.14, residual support = 7.46: O HN GLY 92 - HA2 GLY 92 16.667% * 99.7111% (0.55 10.0 2.14 7.48) = 99.711% kept HN GLU- 107 - HA2 GLY 92 16.667% * 0.1139% (0.63 1.0 0.02 0.02) = 0.114% HN LEU 74 - HA2 GLY 92 16.667% * 0.0835% (0.46 1.0 0.02 0.24) = 0.083% HN GLU- 18 - HA2 GLY 92 16.667% * 0.0473% (0.26 1.0 0.02 0.02) = 0.047% HN GLU- 10 - HA2 GLY 92 16.667% * 0.0287% (0.16 1.0 0.02 0.02) = 0.029% HN ARG+ 53 - HA2 GLY 92 16.667% * 0.0156% (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 = 3.17, residual support = 11.6: O HN LYS+ 72 - HA1 GLY 71 50.000% * 90.4688% (0.38 10.0 3.27 12.67) = 90.469% kept HN LEU 43 - HA1 GLY 71 50.000% * 9.5312% (0.35 1.0 2.25 1.12) = 9.531% 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 = 0.446, support = 4.77, residual support = 76.5: O HN LEU 67 - HB2 LEU 67 12.500% * 97.5797% (0.45 10.0 4.88 78.38) = 97.580% kept HN GLU- 12 - HB2 LEU 67 12.500% * 1.1387% (0.55 1.0 0.19 0.02) = 1.139% kept HN THR 106 - HB2 LEU 67 12.500% * 0.8257% (0.85 1.0 0.09 0.02) = 0.826% HN GLN 16 - HB2 LEU 67 12.500% * 0.1609% (0.74 1.0 0.02 0.13) = 0.161% HN LYS+ 81 - HB2 LEU 67 12.500% * 0.0976% (0.45 1.0 0.02 0.02) = 0.098% HN GLY 58 - HB2 LEU 67 12.500% * 0.0762% (0.35 1.0 0.02 0.02) = 0.076% HN ASN 89 - HB2 LEU 67 12.500% * 0.0696% (0.32 1.0 0.02 0.02) = 0.070% HN SER 49 - HB2 LEU 67 12.500% * 0.0516% (0.24 1.0 0.02 0.02) = 0.052% Peak 3761 (8.87, 1.21, 46.81 ppm): 2 chemical-shift based assignments, quality = 0.739, support = 4.59, residual support = 27.9: HN ILE 68 - HB2 LEU 67 50.000% * 87.7049% (0.74 5.13 31.78) = 87.705% kept HN ASP- 36 - HB2 LEU 67 50.000% * 12.2951% (0.71 0.75 0.56) = 12.295% kept Peak 3762 (8.26, 1.47, 46.81 ppm): 8 chemical-shift based assignments, quality = 0.458, support = 4.35, residual support = 77.3: O HN LEU 67 - HB3 LEU 67 12.500% * 98.5840% (0.46 10.0 4.41 78.38) = 98.584% kept HN THR 106 - HB3 LEU 67 12.500% * 0.8342% (0.88 1.0 0.09 0.02) = 0.834% HN GLN 16 - HB3 LEU 67 12.500% * 0.1625% (0.77 1.0 0.02 0.13) = 0.163% HN GLU- 12 - HB3 LEU 67 12.500% * 0.1212% (0.57 1.0 0.02 0.02) = 0.121% HN LYS+ 81 - HB3 LEU 67 12.500% * 0.0986% (0.46 1.0 0.02 0.02) = 0.099% HN GLY 58 - HB3 LEU 67 12.500% * 0.0770% (0.36 1.0 0.02 0.02) = 0.077% HN ASN 89 - HB3 LEU 67 12.500% * 0.0703% (0.33 1.0 0.02 0.02) = 0.070% HN SER 49 - HB3 LEU 67 12.500% * 0.0521% (0.25 1.0 0.02 0.02) = 0.052% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 28 chemical-shift based assignments, quality = 0.215, support = 0.0711, residual support = 0.0395: HB3 PRO 35 - HD2 PRO 104 3.571% * 20.3945% (0.36 0.08 0.02) = 20.395% kept HA1 GLY 58 - HD2 PRO 104 3.571% * 17.4717% (0.17 0.14 0.14) = 17.472% kept HG2 GLU- 64 - HD2 PRO 104 3.571% * 11.5296% (0.18 0.09 0.02) = 11.530% kept HG3 GLU- 64 - HD2 PRO 104 3.571% * 5.9397% (0.08 0.10 0.02) = 5.940% kept HB VAL 80 - HD2 PRO 104 3.571% * 5.3815% (0.37 0.02 0.02) = 5.381% kept HG3 GLU- 75 - HD2 PRO 104 3.571% * 5.2866% (0.37 0.02 0.02) = 5.287% kept HB VAL 80 - HD2 PRO 31 3.571% * 4.6868% (0.08 0.08 0.02) = 4.687% kept HG3 GLU- 54 - HD2 PRO 104 3.571% * 4.6784% (0.32 0.02 0.02) = 4.678% kept HB2 PRO 86 - HD2 PRO 104 3.571% * 4.5307% (0.06 0.11 0.02) = 4.531% kept HG3 GLU- 107 - HD2 PRO 104 3.571% * 4.3187% (0.30 0.02 0.02) = 4.319% kept HB2 LYS+ 44 - HD2 PRO 104 3.571% * 2.6253% (0.18 0.02 0.02) = 2.625% kept HB3 ASN 15 - HD2 PRO 104 3.571% * 1.8397% (0.13 0.02 0.02) = 1.840% kept HG2 GLU- 56 - HD2 PRO 104 3.571% * 1.3449% (0.09 0.02 0.02) = 1.345% kept HG3 GLU- 10 - HD2 PRO 104 3.571% * 1.2008% (0.08 0.02 0.02) = 1.201% kept HG3 GLU- 75 - HD2 PRO 31 3.571% * 1.1978% (0.08 0.02 0.02) = 1.198% kept HB3 PRO 35 - HD2 PRO 31 3.571% * 1.1695% (0.08 0.02 0.02) = 1.170% kept HG3 GLU- 54 - HD2 PRO 31 3.571% * 1.0600% (0.07 0.02 0.02) = 1.060% kept HG3 GLU- 107 - HD2 PRO 31 3.571% * 0.9785% (0.07 0.02 0.02) = 0.979% HG3 GLU- 56 - HD2 PRO 104 3.571% * 0.9446% (0.07 0.02 0.02) = 0.945% HB2 LYS+ 44 - HD2 PRO 31 3.571% * 0.5948% (0.04 0.02 0.96) = 0.595% HG2 GLU- 64 - HD2 PRO 31 3.571% * 0.5882% (0.04 0.02 0.02) = 0.588% HA1 GLY 58 - HD2 PRO 31 3.571% * 0.5703% (0.04 0.02 0.02) = 0.570% HB3 ASN 15 - HD2 PRO 31 3.571% * 0.4168% (0.03 0.02 0.02) = 0.417% HG2 GLU- 56 - HD2 PRO 31 3.571% * 0.3047% (0.02 0.02 0.02) = 0.305% HG3 GLU- 10 - HD2 PRO 31 3.571% * 0.2721% (0.02 0.02 0.02) = 0.272% HG3 GLU- 64 - HD2 PRO 31 3.571% * 0.2711% (0.02 0.02 0.02) = 0.271% HG3 GLU- 56 - HD2 PRO 31 3.571% * 0.2140% (0.01 0.02 0.02) = 0.214% HB2 PRO 86 - HD2 PRO 31 3.571% * 0.1885% (0.01 0.02 0.02) = 0.189% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3768 (1.36, 3.46, 50.99 ppm): 8 chemical-shift based assignments, quality = 0.879, support = 0.713, residual support = 2.39: HB3 LYS+ 20 - HD3 PRO 31 12.500% * 53.2417% (0.91 1.13 4.47) = 53.242% kept HB3 LEU 17 - HD3 PRO 31 12.500% * 11.8751% (0.90 0.25 0.02) = 11.875% kept QB ALA 11 - HD3 PRO 31 12.500% * 11.8751% (0.90 0.25 0.02) = 11.875% kept HG3 LYS+ 81 - HD3 PRO 31 12.500% * 10.6914% (0.85 0.24 0.02) = 10.691% kept HG3 ARG+ 22 - HD3 PRO 31 12.500% * 10.6914% (0.85 0.24 0.02) = 10.691% kept HG2 LYS+ 78 - HD3 PRO 31 12.500% * 0.7282% (0.70 0.02 0.02) = 0.728% QG2 THR 39 - HD3 PRO 31 12.500% * 0.5394% (0.52 0.02 0.02) = 0.539% HG13 ILE 68 - HD3 PRO 31 12.500% * 0.3576% (0.34 0.02 0.02) = 0.358% Peak 3769 (1.36, 3.58, 50.95 ppm): 16 chemical-shift based assignments, quality = 0.924, support = 1.09, residual support = 2.61: HB3 LYS+ 20 - HD2 PRO 31 6.250% * 58.3383% (0.96 1.67 4.47) = 58.338% kept HB3 LEU 17 - HD2 PRO 31 6.250% * 10.4057% (0.95 0.30 0.02) = 10.406% kept QB ALA 11 - HD2 PRO 31 6.250% * 10.4057% (0.95 0.30 0.02) = 10.406% kept HG3 LYS+ 81 - HD2 PRO 31 6.250% * 9.3685% (0.89 0.29 0.02) = 9.368% kept HG3 ARG+ 22 - HD2 PRO 31 6.250% * 9.3685% (0.89 0.29 0.02) = 9.368% kept HG2 LYS+ 78 - HD2 PRO 31 6.250% * 0.5394% (0.74 0.02 0.02) = 0.539% QG2 THR 39 - HD2 PRO 31 6.250% * 0.3996% (0.55 0.02 0.02) = 0.400% HG13 ILE 68 - HD2 PRO 31 6.250% * 0.2649% (0.36 0.02 0.02) = 0.265% HB3 LYS+ 20 - HD2 PRO 104 6.250% * 0.1386% (0.19 0.02 0.02) = 0.139% HB3 LEU 17 - HD2 PRO 104 6.250% * 0.1371% (0.19 0.02 0.02) = 0.137% QB ALA 11 - HD2 PRO 104 6.250% * 0.1371% (0.19 0.02 0.02) = 0.137% HG3 LYS+ 81 - HD2 PRO 104 6.250% * 0.1291% (0.18 0.02 0.02) = 0.129% HG3 ARG+ 22 - HD2 PRO 104 6.250% * 0.1291% (0.18 0.02 0.02) = 0.129% HG2 LYS+ 78 - HD2 PRO 104 6.250% * 0.1069% (0.15 0.02 0.02) = 0.107% QG2 THR 39 - HD2 PRO 104 6.250% * 0.0792% (0.11 0.02 0.02) = 0.079% HG13 ILE 68 - HD2 PRO 104 6.250% * 0.0525% (0.07 0.02 0.02) = 0.052% 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 = 0.158, support = 2.35, residual support = 4.76: HA LEU 43 - HD3 PRO 31 50.000% * 98.1418% (0.15 2.39 4.84) = 98.142% kept HD3 PRO 104 - HD3 PRO 31 50.000% * 1.8582% (0.35 0.02 0.02) = 1.858% kept 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 = 0.705, support = 1.76, residual support = 3.7: HH2 TRP 51 - QD1 ILE 101 50.000% * 73.5360% (0.63 2.19 3.70) = 73.536% kept HN TRP 51 - QD1 ILE 101 50.000% * 26.4640% (0.91 0.54 3.70) = 26.464% kept Peak 3776 (7.55, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.397, support = 1.12, residual support = 1.01: HN ASP- 82 - QD1 ILE 101 50.000% * 50.3024% (0.31 1.36 1.08) = 50.302% kept HN VAL 65 - QD1 ILE 101 50.000% * 49.6976% (0.48 0.87 0.94) = 49.698% kept Peak 3777 (8.74, 0.55, 10.88 ppm): 5 chemical-shift based assignments, quality = 0.888, support = 5.62, residual support = 111.2: HN ILE 101 - QD1 ILE 101 20.000% * 96.8294% (0.91 5.79 114.85) = 96.829% kept HN VAL 40 - QD1 ILE 101 20.000% * 2.0307% (0.12 0.89 0.69) = 2.031% kept HN VAL 62 - QD1 ILE 101 20.000% * 0.7142% (0.41 0.09 0.02) = 0.714% HN GLU- 56 - QD1 ILE 101 20.000% * 0.3325% (0.91 0.02 0.02) = 0.332% HN PHE 34 - QD1 ILE 101 20.000% * 0.0933% (0.25 0.02 0.02) = 0.093% Peak 3778 (8.91, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.908, support = 4.38, residual support = 27.2: HN GLN 102 - QD1 ILE 101 50.000% * 98.8049% (0.92 4.43 27.51) = 98.805% kept HN ASP- 36 - QD1 ILE 101 50.000% * 1.1951% (0.23 0.22 0.02) = 1.195% kept Peak 3779 (9.10, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.343, support = 1.01, residual support = 2.22: HN LYS+ 66 - QD1 ILE 101 50.000% * 98.5695% (0.34 1.02 2.25) = 98.570% kept HN GLU- 54 - QD1 ILE 101 50.000% * 1.4305% (0.25 0.02 0.02) = 1.430% kept Peak 3780 (8.82, 4.39, 54.16 ppm): 3 chemical-shift based assignments, quality = 0.756, support = 2.61, residual support = 15.4: O HN ASN 57 - HA ASN 57 33.333% * 97.9163% (0.75 10.0 2.66 15.73) = 97.916% kept HN LYS+ 60 - HA ASN 57 33.333% * 1.9769% (0.87 1.0 0.35 0.02) = 1.977% kept HN LYS+ 32 - HA ASN 57 33.333% * 0.1068% (0.82 1.0 0.02 0.02) = 0.107% Peak 3781 (8.23, 4.39, 54.16 ppm): 10 chemical-shift based assignments, quality = 0.745, support = 2.09, residual support = 10.8: O HN GLY 58 - HA ASN 57 10.000% * 97.0552% (0.75 10.0 2.15 11.08) = 97.055% kept HN VAL 94 - HA ASN 57 10.000% * 1.7794% (0.70 1.0 0.40 0.02) = 1.779% kept HN GLU- 45 - HA ASN 57 10.000% * 0.6357% (0.46 1.0 0.22 0.02) = 0.636% HN SER 49 - HA ASN 57 10.000% * 0.1080% (0.84 1.0 0.02 0.02) = 0.108% HN LYS+ 81 - HA ASN 57 10.000% * 0.0855% (0.66 1.0 0.02 0.02) = 0.086% HN LEU 67 - HA ASN 57 10.000% * 0.0855% (0.66 1.0 0.02 0.02) = 0.086% HN VAL 105 - HA ASN 57 10.000% * 0.0855% (0.66 1.0 0.02 0.02) = 0.086% HN GLU- 12 - HA ASN 57 10.000% * 0.0724% (0.56 1.0 0.02 0.02) = 0.072% HN ALA 11 - HA ASN 57 10.000% * 0.0679% (0.53 1.0 0.02 0.02) = 0.068% HN THR 106 - HA ASN 57 10.000% * 0.0249% (0.19 1.0 0.02 0.02) = 0.025% 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 = 0.89, support = 1.75, residual support = 1.54: HB3 SER 49 - QD1 ILE 100 11.111% * 70.8028% (0.94 2.21 2.09) = 70.803% kept HD2 PRO 59 - QD1 ILE 100 11.111% * 23.5600% (0.93 0.74 0.24) = 23.560% kept HA ALA 70 - QD1 ILE 100 11.111% * 2.8107% (0.25 0.34 0.02) = 2.811% kept HA LYS+ 63 - QD1 ILE 100 11.111% * 0.7097% (0.22 0.09 0.02) = 0.710% HA ARG+ 53 - QD1 ILE 100 11.111% * 0.6698% (0.98 0.02 0.02) = 0.670% HA2 GLY 71 - QD1 ILE 100 11.111% * 0.5375% (0.79 0.02 0.02) = 0.537% HB2 SER 88 - QD1 ILE 100 11.111% * 0.3800% (0.56 0.02 0.02) = 0.380% HA THR 46 - QD1 ILE 100 11.111% * 0.3800% (0.56 0.02 0.02) = 0.380% HA VAL 87 - QD1 ILE 100 11.111% * 0.1494% (0.22 0.02 0.02) = 0.149% Peak 3784 (4.79, 0.80, 12.73 ppm): 3 chemical-shift based assignments, quality = 0.78, support = 1.03, residual support = 2.01: HA LEU 23 - QD1 ILE 100 33.333% * 97.6340% (0.79 1.06 2.06) = 97.634% kept HA ASN 15 - QD1 ILE 100 33.333% * 1.5809% (0.68 0.02 0.02) = 1.581% kept HB THR 39 - QD1 ILE 100 33.333% * 0.7851% (0.34 0.02 0.02) = 0.785% Peak 3785 (8.34, 0.80, 12.73 ppm): 6 chemical-shift based assignments, quality = 0.575, support = 1.43, residual support = 6.19: HN GLU- 50 - QD1 ILE 100 16.667% * 36.9885% (0.93 0.70 0.24) = 36.989% kept HN VAL 99 - QD1 ILE 100 16.667% * 29.8108% (0.15 3.46 20.44) = 29.811% kept HN LYS+ 108 - QD1 ILE 100 16.667% * 15.5374% (0.48 0.57 0.02) = 15.537% kept HN ALA 103 - QD1 ILE 100 16.667% * 13.7574% (0.75 0.32 0.02) = 13.757% kept HN GLY 71 - QD1 ILE 100 16.667% * 3.4469% (0.22 0.28 0.02) = 3.447% kept HN ASN 76 - QD1 ILE 100 16.667% * 0.4590% (0.40 0.02 0.02) = 0.459% Peak 3786 (8.74, 0.80, 12.73 ppm): 4 chemical-shift based assignments, quality = 0.812, support = 3.24, residual support = 16.1: HN ILE 101 - QD1 ILE 100 25.000% * 96.2501% (0.82 3.36 16.77) = 96.250% kept HN VAL 62 - QD1 ILE 100 25.000% * 2.8131% (0.75 0.11 0.02) = 2.813% kept HN GLU- 56 - QD1 ILE 100 25.000% * 0.5488% (0.79 0.02 0.02) = 0.549% HN PHE 34 - QD1 ILE 100 25.000% * 0.3880% (0.56 0.02 0.02) = 0.388% Peak 3788 (8.87, 0.80, 12.73 ppm): 2 chemical-shift based assignments, quality = 0.934, support = 0.228, residual support = 0.167: HN ILE 68 - QD1 ILE 100 50.000% * 94.4150% (0.95 0.24 0.18) = 94.415% kept HN ASP- 36 - QD1 ILE 100 50.000% * 5.5850% (0.68 0.02 0.02) = 5.585% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3789 (9.28, 0.80, 12.73 ppm): 2 chemical-shift based assignments, quality = 0.781, support = 1.12, residual support = 2.04: HN LEU 23 - QD1 ILE 100 50.000% * 99.1775% (0.79 1.13 2.06) = 99.177% kept HN ILE 29 - QD1 ILE 100 50.000% * 0.8225% (0.37 0.02 0.02) = 0.823% Peak 3790 (8.24, 0.40, 14.05 ppm): 11 chemical-shift based assignments, quality = 0.874, support = 3.32, residual support = 19.7: HN SER 49 - QD1 ILE 48 9.091% * 60.0977% (0.91 4.80 31.38) = 60.098% kept HN GLY 58 - QD1 ILE 48 9.091% * 15.8116% (0.98 1.18 1.49) = 15.812% kept HN LEU 67 - QD1 ILE 48 9.091% * 13.5799% (0.99 1.00 0.79) = 13.580% kept HN GLU- 45 - QD1 ILE 48 9.091% * 5.3195% (0.20 1.98 9.41) = 5.320% kept HN LYS+ 81 - QD1 ILE 48 9.091% * 2.2204% (0.99 0.16 0.02) = 2.220% kept HN VAL 105 - QD1 ILE 48 9.091% * 1.1588% (0.37 0.23 0.02) = 1.159% kept HN THR 106 - QD1 ILE 48 9.091% * 0.8234% (0.56 0.11 0.02) = 0.823% HN VAL 94 - QD1 ILE 48 9.091% * 0.5988% (0.41 0.11 0.02) = 0.599% HN GLU- 12 - QD1 ILE 48 9.091% * 0.2619% (0.95 0.02 0.02) = 0.262% HN ALA 11 - QD1 ILE 48 9.091% * 0.0677% (0.25 0.02 0.02) = 0.068% HN GLN 16 - QD1 ILE 48 9.091% * 0.0604% (0.22 0.02 0.02) = 0.060% Peak 3791 (3.16, 0.73, 14.31 ppm): 7 chemical-shift based assignments, quality = 0.266, support = 1.24, residual support = 11.9: T HB3 HIS+ 98 - QD1 ILE 68 14.286% * 97.5015% (0.27 10.00 1.27 12.21) = 97.501% kept HB3 PHE 34 - QD1 ILE 68 14.286% * 0.8428% (0.35 1.00 0.09 0.02) = 0.843% HD3 ARG+ 84 - QD1 ILE 68 14.286% * 0.7406% (0.22 1.00 0.12 0.02) = 0.741% HA1 GLY 58 - QD1 ILE 68 14.286% * 0.4624% (0.09 1.00 0.18 0.15) = 0.462% HE3 LYS+ 72 - QD1 ILE 68 14.286% * 0.2269% (0.06 1.00 0.14 3.00) = 0.227% HD2 ARG+ 53 - QD1 ILE 68 14.286% * 0.1894% (0.34 1.00 0.02 0.02) = 0.189% HE3 LYS+ 108 - QD1 ILE 68 14.286% * 0.0365% (0.07 1.00 0.02 0.02) = 0.036% Peak 3792 (3.18, 0.69, 14.32 ppm): 8 chemical-shift based assignments, quality = 0.721, support = 1.9, residual support = 29.9: HB3 PHE 34 - QD1 ILE 19 12.500% * 87.1385% (0.79 2.06 34.23) = 87.139% kept HA1 GLY 58 - QD1 ILE 19 12.500% * 10.4874% (0.20 1.01 0.36) = 10.487% kept HD3 ARG+ 84 - QD1 ILE 19 12.500% * 1.0453% (0.98 0.02 0.02) = 1.045% kept HD2 ARG+ 53 - QD1 ILE 19 12.500% * 0.6437% (0.15 0.08 0.02) = 0.644% HD3 ARG+ 84 - QD1 ILE 68 12.500% * 0.3603% (0.06 0.12 0.02) = 0.360% HB3 PHE 34 - QD1 ILE 68 12.500% * 0.2086% (0.05 0.09 0.02) = 0.209% HA1 GLY 58 - QD1 ILE 68 12.500% * 0.1068% (0.01 0.18 0.15) = 0.107% HD2 ARG+ 53 - QD1 ILE 68 12.500% * 0.0094% (0.01 0.02 0.02) = 0.009% Peak 3793 (2.62, 0.69, 14.32 ppm): 8 chemical-shift based assignments, quality = 0.972, support = 2.33, residual support = 29.3: T HE2 LYS+ 20 - QD1 ILE 19 12.500% * 87.2366% (0.99 10.00 2.41 30.28) = 87.237% kept HB2 PHE 34 - QD1 ILE 19 12.500% * 8.2399% (0.83 1.00 2.26 34.23) = 8.240% kept HA1 GLY 58 - QD1 ILE 19 12.500% * 4.3842% (0.99 1.00 1.01 0.36) = 4.384% kept HB2 ASP- 25 - QD1 ILE 19 12.500% * 0.0807% (0.91 1.00 0.02 0.02) = 0.081% HA1 GLY 58 - QD1 ILE 68 12.500% * 0.0446% (0.06 1.00 0.18 0.15) = 0.045% HE2 LYS+ 20 - QD1 ILE 68 12.500% * 0.0051% (0.06 1.00 0.02 0.14) = 0.005% HB2 ASP- 25 - QD1 ILE 68 12.500% * 0.0047% (0.05 1.00 0.02 0.02) = 0.005% HB2 PHE 34 - QD1 ILE 68 12.500% * 0.0042% (0.05 1.00 0.02 0.02) = 0.004% Peak 3794 (2.26, 0.69, 14.32 ppm): 26 chemical-shift based assignments, quality = 0.758, support = 1.38, residual support = 1.08: HB3 PRO 35 - QD1 ILE 19 3.846% * 67.5622% (0.94 1.74 1.49) = 67.562% kept HA1 GLY 58 - QD1 ILE 19 3.846% * 19.0113% (0.46 1.01 0.36) = 19.011% kept HB3 ASN 15 - QD1 ILE 19 3.846% * 4.9913% (0.41 0.30 0.14) = 4.991% kept HB2 LYS+ 44 - QD1 ILE 19 3.846% * 1.6268% (0.41 0.10 0.02) = 1.627% kept HG2 GLU- 64 - QD1 ILE 19 3.846% * 1.6247% (0.49 0.08 0.02) = 1.625% kept HB3 PRO 35 - QD1 ILE 68 3.846% * 0.8143% (0.05 0.36 0.02) = 0.814% HB VAL 80 - QD1 ILE 19 3.846% * 0.8008% (0.97 0.02 0.02) = 0.801% HG3 GLU- 75 - QD1 ILE 19 3.846% * 0.7728% (0.94 0.02 0.02) = 0.773% HG3 GLU- 54 - QD1 ILE 19 3.846% * 0.7541% (0.91 0.02 0.02) = 0.754% HG3 GLU- 107 - QD1 ILE 19 3.846% * 0.7086% (0.86 0.02 0.02) = 0.709% HG2 GLU- 56 - QD1 ILE 19 3.846% * 0.2521% (0.31 0.02 0.02) = 0.252% HG3 GLU- 10 - QD1 ILE 19 3.846% * 0.2271% (0.27 0.02 0.02) = 0.227% HA1 GLY 58 - QD1 ILE 68 3.846% * 0.1935% (0.03 0.18 0.15) = 0.194% HG3 GLU- 64 - QD1 ILE 19 3.846% * 0.1907% (0.23 0.02 0.02) = 0.191% HG3 GLU- 56 - QD1 ILE 19 3.846% * 0.1819% (0.22 0.02 0.02) = 0.182% HB VAL 80 - QD1 ILE 68 3.846% * 0.0464% (0.06 0.02 0.02) = 0.046% HG3 GLU- 75 - QD1 ILE 68 3.846% * 0.0447% (0.05 0.02 0.14) = 0.045% HG3 GLU- 54 - QD1 ILE 68 3.846% * 0.0437% (0.05 0.02 0.02) = 0.044% HG3 GLU- 107 - QD1 ILE 68 3.846% * 0.0410% (0.05 0.02 0.02) = 0.041% HG2 GLU- 64 - QD1 ILE 68 3.846% * 0.0236% (0.03 0.02 0.02) = 0.024% HB3 ASN 15 - QD1 ILE 68 3.846% * 0.0194% (0.02 0.02 0.02) = 0.019% HB2 LYS+ 44 - QD1 ILE 68 3.846% * 0.0194% (0.02 0.02 0.02) = 0.019% HG2 GLU- 56 - QD1 ILE 68 3.846% * 0.0146% (0.02 0.02 0.02) = 0.015% HG3 GLU- 10 - QD1 ILE 68 3.846% * 0.0132% (0.02 0.02 0.02) = 0.013% HG3 GLU- 64 - QD1 ILE 68 3.846% * 0.0110% (0.01 0.02 0.02) = 0.011% HG3 GLU- 56 - QD1 ILE 68 3.846% * 0.0105% (0.01 0.02 0.02) = 0.011% Peak 3795 (2.77, 0.73, 14.31 ppm): 2 chemical-shift based assignments, quality = 0.327, support = 0.149, residual support = 0.147: HA1 GLY 58 - QD1 ILE 68 50.000% * 82.0676% (0.38 1.00 0.18 0.15) = 82.068% kept T HE3 LYS+ 20 - QD1 ILE 68 50.000% * 17.9324% (0.07 10.00 0.02 0.14) = 17.932% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3796 (1.38, 0.73, 14.31 ppm): 13 chemical-shift based assignments, quality = 0.411, support = 3.9, residual support = 88.1: O HG13 ILE 68 - QD1 ILE 68 7.692% * 95.2676% (0.42 10.0 4.02 91.50) = 95.268% kept HG LEU 67 - QD1 ILE 68 7.692% * 2.7924% (0.12 1.0 2.07 31.78) = 2.792% kept HD3 LYS+ 20 - QD1 ILE 68 7.692% * 1.4770% (0.28 1.0 0.47 0.14) = 1.477% kept QG2 THR 39 - QD1 ILE 68 7.692% * 0.0963% (0.43 1.0 0.02 0.02) = 0.096% HG2 LYS+ 78 - QD1 ILE 68 7.692% * 0.0872% (0.39 1.0 0.02 0.02) = 0.087% QB ALA 11 - QD1 ILE 68 7.692% * 0.0590% (0.26 1.0 0.02 0.02) = 0.059% HB3 LYS+ 20 - QD1 ILE 68 7.692% * 0.0550% (0.24 1.0 0.02 0.14) = 0.055% HB3 LEU 17 - QD1 ILE 68 7.692% * 0.0365% (0.16 1.0 0.02 0.02) = 0.036% QB ALA 93 - QD1 ILE 68 7.692% * 0.0300% (0.13 1.0 0.02 0.02) = 0.030% HG13 ILE 100 - QD1 ILE 68 7.692% * 0.0300% (0.13 1.0 0.02 0.18) = 0.030% HG3 LYS+ 81 - QD1 ILE 68 7.692% * 0.0270% (0.12 1.0 0.02 0.02) = 0.027% HG3 ARG+ 22 - QD1 ILE 68 7.692% * 0.0270% (0.12 1.0 0.02 0.11) = 0.027% QB ALA 37 - QD1 ILE 68 7.692% * 0.0150% (0.07 1.0 0.02 0.02) = 0.015% Peak 3797 (1.63, 0.73, 14.31 ppm): 7 chemical-shift based assignments, quality = 0.405, support = 4.63, residual support = 88.0: O HB ILE 68 - QD1 ILE 68 14.286% * 96.1180% (0.41 10.0 4.80 91.50) = 96.118% kept HG LEU 43 - QD1 ILE 68 14.286% * 2.3946% (0.41 1.0 0.50 1.23) = 2.395% kept HB3 ARG+ 22 - QD1 ILE 68 14.286% * 1.1993% (0.19 1.0 0.53 0.11) = 1.199% kept HG LEU 23 - QD1 ILE 68 14.286% * 0.1007% (0.43 1.0 0.02 0.02) = 0.101% HG12 ILE 101 - QD1 ILE 68 14.286% * 0.0981% (0.42 1.0 0.02 0.02) = 0.098% HG3 LYS+ 78 - QD1 ILE 68 14.286% * 0.0738% (0.31 1.0 0.02 0.02) = 0.074% HD3 LYS+ 32 - QD1 ILE 68 14.286% * 0.0157% (0.07 1.0 0.02 0.02) = 0.016% Peak 3798 (2.20, 0.83, 15.60 ppm): 32 chemical-shift based assignments, quality = 0.483, support = 0.545, residual support = 0.355: HA1 GLY 58 - QD1 ILE 29 3.125% * 11.2764% (0.34 1.20 2.20) = 11.276% kept HG3 GLN 16 - QD1 ILE 29 3.125% * 9.2545% (0.85 0.39 0.02) = 9.255% kept HB2 GLU- 50 - QD1 ILE 29 3.125% * 8.3299% (0.37 0.81 0.02) = 8.330% kept HB2 GLU- 50 - QG1 VAL 13 3.125% * 8.2616% (0.37 0.81 0.02) = 8.262% kept HG3 GLN 16 - QG1 VAL 13 3.125% * 6.2004% (0.85 0.26 0.02) = 6.200% kept HG3 GLU- 18 - QG1 VAL 13 3.125% * 5.6345% (0.30 0.67 0.65) = 5.634% kept HG2 GLN 16 - QD1 ILE 29 3.125% * 5.6132% (0.52 0.39 0.02) = 5.613% kept HA1 GLY 58 - QG1 VAL 13 3.125% * 5.0635% (0.33 0.54 0.12) = 5.064% kept HG2 GLN 16 - QG1 VAL 13 3.125% * 3.7607% (0.51 0.26 0.02) = 3.761% kept HB2 ASP- 82 - QD1 ILE 29 3.125% * 3.5565% (0.37 0.35 0.02) = 3.556% kept HB3 PRO 52 - QD1 ILE 29 3.125% * 3.4484% (0.13 0.93 0.02) = 3.448% kept HB3 PRO 52 - QG1 VAL 13 3.125% * 3.4125% (0.13 0.93 0.02) = 3.412% kept HG2 GLU- 64 - QD1 ILE 29 3.125% * 3.2427% (0.98 0.12 0.02) = 3.243% kept HG2 GLU- 64 - QG1 VAL 13 3.125% * 3.1607% (0.97 0.12 0.02) = 3.161% kept HB2 ASP- 82 - QG1 VAL 13 3.125% * 3.0820% (0.37 0.30 0.02) = 3.082% kept HB3 GLU- 75 - QD1 ILE 29 3.125% * 2.9103% (0.20 0.53 1.70) = 2.910% kept HB VAL 99 - QG1 VAL 13 3.125% * 2.5291% (0.59 0.15 0.02) = 2.529% kept HG3 GLU- 64 - QD1 ILE 29 3.125% * 2.5257% (0.76 0.12 0.02) = 2.526% kept HG3 GLU- 64 - QG1 VAL 13 3.125% * 2.4618% (0.75 0.12 0.02) = 2.462% kept HB3 GLU- 75 - QG1 VAL 13 3.125% * 1.8964% (0.20 0.35 0.02) = 1.896% kept HB3 PRO 35 - QD1 ILE 29 3.125% * 1.7185% (0.71 0.09 0.02) = 1.719% kept HB3 PRO 35 - QG1 VAL 13 3.125% * 0.3923% (0.70 0.02 0.02) = 0.392% HB VAL 99 - QD1 ILE 29 3.125% * 0.3329% (0.60 0.02 0.02) = 0.333% HB3 PRO 104 - QD1 ILE 29 3.125% * 0.3108% (0.56 0.02 0.02) = 0.311% HB3 PRO 104 - QG1 VAL 13 3.125% * 0.3077% (0.55 0.02 0.02) = 0.308% HG3 MET 97 - QD1 ILE 29 3.125% * 0.2672% (0.48 0.02 0.02) = 0.267% HG3 MET 97 - QG1 VAL 13 3.125% * 0.2645% (0.47 0.02 0.02) = 0.265% HG2 GLN 102 - QD1 ILE 29 3.125% * 0.1872% (0.34 0.02 0.02) = 0.187% HG2 GLN 102 - QG1 VAL 13 3.125% * 0.1854% (0.33 0.02 0.02) = 0.185% HG3 GLU- 18 - QD1 ILE 29 3.125% * 0.1694% (0.30 0.02 0.02) = 0.169% HG3 GLN 102 - QD1 ILE 29 3.125% * 0.1222% (0.22 0.02 0.02) = 0.122% HG3 GLN 102 - QG1 VAL 13 3.125% * 0.1210% (0.22 0.02 0.02) = 0.121% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 3799 (2.39, 0.83, 15.60 ppm): 10 chemical-shift based assignments, quality = 0.838, support = 2.28, residual support = 13.0: HB3 ASP- 28 - QD1 ILE 29 10.000% * 56.2340% (0.97 3.44 22.47) = 56.234% kept HA1 GLY 58 - QD1 ILE 29 10.000% * 14.3588% (0.71 1.20 2.20) = 14.359% kept HB3 GLU- 50 - QD1 ILE 29 10.000% * 7.0970% (0.52 0.81 0.02) = 7.097% kept HB3 GLU- 50 - QG1 VAL 13 10.000% * 7.0387% (0.51 0.81 0.02) = 7.039% kept HA1 GLY 58 - QG1 VAL 13 10.000% * 6.4476% (0.70 0.54 0.12) = 6.448% kept HB3 ASP- 28 - QG1 VAL 13 10.000% * 5.6188% (0.96 0.35 0.02) = 5.619% kept HB2 LYS+ 78 - QD1 ILE 29 10.000% * 1.4782% (0.82 0.11 0.02) = 1.478% kept HB3 PRO 35 - QD1 ILE 29 10.000% * 1.1812% (0.80 0.09 0.02) = 1.181% kept HB2 LYS+ 78 - QG1 VAL 13 10.000% * 0.2759% (0.81 0.02 0.02) = 0.276% HB3 PRO 35 - QG1 VAL 13 10.000% * 0.2696% (0.80 0.02 0.02) = 0.270% Peak 3800 (2.76, 0.83, 15.60 ppm): 4 chemical-shift based assignments, quality = 0.845, support = 0.935, residual support = 1.43: HA1 GLY 58 - QD1 ILE 29 25.000% * 62.4914% (0.90 1.20 2.20) = 62.491% kept HA1 GLY 58 - QG1 VAL 13 25.000% * 28.0609% (0.89 0.54 0.12) = 28.061% kept HE3 LYS+ 20 - QD1 ILE 29 25.000% * 7.7004% (0.34 0.40 0.29) = 7.700% kept HE3 LYS+ 20 - QG1 VAL 13 25.000% * 1.7473% (0.33 0.09 0.02) = 1.747% kept Peak 3801 (7.21, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.869, support = 1.63, residual support = 3.24: HN TRP 51 - QG1 VAL 13 25.000% * 31.5191% (0.88 1.96 3.30) = 31.519% kept HN TRP 51 - QD1 ILE 29 25.000% * 28.0945% (0.94 1.64 3.18) = 28.094% kept HH2 TRP 51 - QD1 ILE 29 25.000% * 21.0455% (0.84 1.36 3.18) = 21.045% kept HH2 TRP 51 - QG1 VAL 13 25.000% * 19.3410% (0.79 1.34 3.30) = 19.341% kept Peak 3802 (6.88, 0.83, 15.64 ppm): 6 chemical-shift based assignments, quality = 0.722, support = 0.773, residual support = 14.0: QD PHE 21 - QD1 ILE 29 16.667% * 52.8363% (0.90 0.97 21.88) = 52.836% kept HD22 ASN 15 - QD1 ILE 29 16.667% * 24.2718% (0.51 0.78 1.01) = 24.272% kept QD PHE 21 - QG1 VAL 13 16.667% * 9.6349% (0.84 0.19 0.02) = 9.635% kept HZ PHE 21 - QD1 ILE 29 16.667% * 9.4999% (0.30 0.52 21.88) = 9.500% kept HD22 ASN 15 - QG1 VAL 13 16.667% * 2.4171% (0.48 0.08 6.77) = 2.417% kept HZ PHE 21 - QG1 VAL 13 16.667% * 1.3400% (0.28 0.08 0.02) = 1.340% kept Peak 3803 (6.74, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.811, support = 1.19, residual support = 3.1: HZ3 TRP 51 - QD1 ILE 29 25.000% * 49.8964% (0.84 1.25 3.18) = 49.896% kept HZ3 TRP 51 - QG1 VAL 13 25.000% * 45.9794% (0.79 1.23 3.30) = 45.979% kept QE TYR 83 - QG1 VAL 13 25.000% * 3.2138% (0.90 0.08 0.02) = 3.214% kept QE TYR 83 - QD1 ILE 29 25.000% * 0.9104% (0.96 0.02 0.02) = 0.910% Peak 3804 (9.31, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.578, support = 3.84, residual support = 44.8: HN ILE 29 - QD1 ILE 29 25.000% * 78.1298% (0.67 4.37 54.10) = 78.130% kept HN LEU 23 - QD1 ILE 29 25.000% * 16.7625% (0.27 2.32 14.94) = 16.762% kept HN LEU 23 - QG1 VAL 13 25.000% * 4.7732% (0.25 0.71 0.22) = 4.773% kept HN ILE 29 - QG1 VAL 13 25.000% * 0.3345% (0.62 0.02 0.02) = 0.335% Peak 3805 (3.87, 0.72, 16.73 ppm): 7 chemical-shift based assignments, quality = 0.725, support = 1.21, residual support = 2.71: HA GLU- 45 - QG2 ILE 48 14.286% * 25.2115% (0.81 1.65 9.41) = 25.211% kept HB3 SER 27 - QG2 ILE 48 14.286% * 20.6529% (0.80 1.37 0.27) = 20.653% kept HB2 SER 85 - QG2 ILE 48 14.286% * 16.9099% (0.65 1.37 1.50) = 16.910% kept HB3 SER 77 - QG2 ILE 48 14.286% * 10.5438% (0.68 0.82 0.02) = 10.544% kept HD3 PRO 35 - QG2 ILE 48 14.286% * 10.0792% (0.71 0.75 0.11) = 10.079% kept HD2 PRO 86 - QG2 ILE 48 14.286% * 9.0248% (0.59 0.81 0.15) = 9.025% kept HB3 SER 88 - QG2 ILE 48 14.286% * 7.5780% (0.62 0.64 0.02) = 7.578% kept Peak 3806 (4.06, 0.72, 16.73 ppm): 4 chemical-shift based assignments, quality = 0.45, support = 3.26, residual support = 30.2: T HB3 SER 49 - QG2 ILE 48 25.000% * 70.5949% (0.34 10.00 3.45 31.38) = 70.595% kept HB2 SER 49 - QG2 ILE 48 25.000% * 25.6198% (0.77 1.00 3.15 31.38) = 25.620% kept HB3 SER 85 - QG2 ILE 48 25.000% * 2.8230% (0.53 1.00 0.51 1.50) = 2.823% kept HB THR 38 - QG2 ILE 48 25.000% * 0.9622% (0.82 1.00 0.11 0.02) = 0.962% Peak 3807 (7.05, 0.02, 16.81 ppm): 2 chemical-shift based assignments, quality = 0.91, support = 1.64, residual support = 5.61: T QE PHE 21 - QG2 ILE 19 50.000% * 99.8972% (0.91 10.00 1.65 5.62) = 99.897% kept QD TYR 83 - QG2 ILE 19 50.000% * 0.1028% (0.77 1.00 0.02 0.02) = 0.103% Peak 3808 (6.88, 0.02, 16.81 ppm): 3 chemical-shift based assignments, quality = 0.846, support = 2.13, residual support = 5.0: QD PHE 21 - QG2 ILE 19 33.333% * 77.9941% (0.96 2.40 5.62) = 77.994% kept HD22 ASN 15 - QG2 ILE 19 33.333% * 11.2731% (0.70 0.48 0.14) = 11.273% kept HZ PHE 21 - QG2 ILE 19 33.333% * 10.7329% (0.17 1.88 5.62) = 10.733% kept Peak 3809 (3.99, 0.02, 16.86 ppm): 4 chemical-shift based assignments, quality = 0.801, support = 2.33, residual support = 5.74: HB THR 95 - QG2 ILE 19 25.000% * 52.3494% (0.73 3.06 9.77) = 52.349% kept HA1 GLY 92 - QG2 ILE 19 25.000% * 39.0089% (0.96 1.71 1.54) = 39.009% kept HA THR 38 - QG2 ILE 19 25.000% * 8.5483% (0.53 0.69 0.35) = 8.548% kept HA VAL 13 - QG2 ILE 19 25.000% * 0.0934% (0.20 0.02 0.02) = 0.093% Peak 3810 (4.81, 1.48, 17.39 ppm): 3 chemical-shift based assignments, quality = 0.829, support = 0.02, residual support = 0.02: HA LEU 23 - QB ALA 70 33.333% * 47.5311% (0.94 0.02 0.02) = 47.531% kept HB THR 39 - QB ALA 70 33.333% * 42.7221% (0.85 0.02 0.02) = 42.722% kept HA ASN 15 - QB ALA 70 33.333% * 9.7468% (0.19 0.02 0.02) = 9.747% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3811 (4.99, 1.48, 17.39 ppm): 5 chemical-shift based assignments, quality = 0.941, support = 2.2, residual support = 1.99: HA SER 69 - QB ALA 70 20.000% * 91.9722% (0.97 2.38 2.16) = 91.972% kept HA ILE 68 - QB ALA 70 20.000% * 6.7590% (0.75 0.23 0.02) = 6.759% kept HA PRO 31 - QB ALA 70 20.000% * 0.6526% (0.82 0.02 0.02) = 0.653% HA MET 97 - QB ALA 70 20.000% * 0.4423% (0.55 0.02 0.02) = 0.442% HA ALA 33 - QB ALA 70 20.000% * 0.1739% (0.22 0.02 0.02) = 0.174% Peak 3812 (7.97, 1.48, 17.39 ppm): 2 chemical-shift based assignments, quality = 0.489, support = 1.81, residual support = 1.7: HN LYS+ 72 - QB ALA 70 50.000% * 85.1123% (0.44 2.09 2.00) = 85.112% kept HN LEU 43 - QB ALA 70 50.000% * 14.8877% (0.78 0.20 0.02) = 14.888% kept Peak 3813 (8.37, 1.48, 17.39 ppm): 3 chemical-shift based assignments, quality = 0.896, support = 3.54, residual support = 13.9: HN GLY 71 - QB ALA 70 33.333% * 99.3828% (0.90 3.57 14.02) = 99.383% kept HN LYS+ 108 - QB ALA 70 33.333% * 0.3906% (0.63 0.02 0.02) = 0.391% HN ALA 103 - QB ALA 70 33.333% * 0.2266% (0.37 0.02 0.02) = 0.227% Peak 3814 (9.51, 1.48, 17.39 ppm): 2 chemical-shift based assignments, quality = 0.366, support = 2.91, residual support = 13.9: O HN ALA 70 - QB ALA 70 50.000% * 99.7968% (0.37 10.0 2.92 13.94) = 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 = 0.933, residual support = 1.88: HN ILE 48 - QG2 ILE 29 100.000% *100.0000% (0.67 0.93 1.88) = 100.000% kept Peak 3816 (4.73, 0.94, 17.30 ppm): 5 chemical-shift based assignments, quality = 0.57, support = 2.42, residual support = 9.52: HA2 GLY 30 - QG2 ILE 29 20.000% * 75.6258% (0.55 3.05 12.52) = 75.626% kept HA LYS+ 20 - QG2 ILE 29 20.000% * 14.0843% (0.85 0.37 0.29) = 14.084% kept HA THR 61 - QG2 ILE 29 20.000% * 9.6677% (0.33 0.65 0.15) = 9.668% kept HA THR 39 - QG2 ILE 29 20.000% * 0.4270% (0.48 0.02 0.02) = 0.427% HA VAL 99 - QG2 ILE 29 20.000% * 0.1953% (0.22 0.02 0.02) = 0.195% 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 = 4.16, residual support = 70.5: HN ILE 100 - QG2 ILE 100 100.000% *100.0000% (0.40 4.16 70.49) = 100.000% kept Peak 3819 (8.17, 1.56, 18.43 ppm): 3 chemical-shift based assignments, quality = 0.95, support = 1.99, residual support = 9.91: HN SER 41 - QB ALA 42 33.333% * 99.2052% (0.96 2.01 9.99) = 99.205% kept HN SER 77 - QB ALA 42 33.333% * 0.5705% (0.55 0.02 0.02) = 0.570% HN ALA 33 - QB ALA 42 33.333% * 0.2243% (0.22 0.02 0.02) = 0.224% Peak 3820 (4.02, 1.43, 18.95 ppm): 5 chemical-shift based assignments, quality = 0.778, support = 0.572, residual support = 0.479: T HA THR 38 - QB ALA 91 20.000% * 98.8343% (0.79 10.00 0.58 0.48) = 98.834% kept HA VAL 13 - QB ALA 91 20.000% * 0.4267% (0.98 1.00 0.02 0.02) = 0.427% HB3 SER 49 - QB ALA 91 20.000% * 0.3957% (0.15 1.00 0.12 0.02) = 0.396% HB THR 95 - QB ALA 91 20.000% * 0.2588% (0.60 1.00 0.02 0.02) = 0.259% HB3 SER 85 - QB ALA 91 20.000% * 0.0844% (0.19 1.00 0.02 0.02) = 0.084% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 3821 (7.36, 1.14, 19.89 ppm): 1 chemical-shift based assignment, quality = 0.311, support = 0.629, residual support = 0.765: HE22 GLN 102 - QB ALA 33 100.000% *100.0000% (0.31 0.63 0.76) = 100.000% kept Peak 3822 (4.12, 0.91, 20.89 ppm): 9 chemical-shift based assignments, quality = 0.149, support = 0.966, residual support = 7.7: HB2 SER 88 - QG2 VAL 87 11.111% * 60.7608% (0.09 1.00 1.57 12.66) = 60.761% kept T HB3 SER 49 - QG2 VAL 87 11.111% * 25.3393% (0.28 10.00 0.02 0.02) = 25.339% kept HA THR 24 - QG2 VAL 87 11.111% * 3.0920% (0.06 1.00 0.11 0.02) = 3.092% kept HA THR 46 - QG2 VAL 87 11.111% * 2.4105% (0.27 1.00 0.02 0.02) = 2.411% kept HA ARG+ 53 - QG2 VAL 87 11.111% * 2.3212% (0.26 1.00 0.02 0.02) = 2.321% kept HD2 PRO 59 - QG2 VAL 87 11.111% * 1.9089% (0.21 1.00 0.02 0.02) = 1.909% kept HA ALA 70 - QG2 VAL 87 11.111% * 1.4621% (0.16 1.00 0.02 0.02) = 1.462% kept HA LYS+ 63 - QG2 VAL 87 11.111% * 1.3526% (0.15 1.00 0.02 0.02) = 1.353% kept HA2 GLY 71 - QG2 VAL 87 11.111% * 1.3526% (0.15 1.00 0.02 0.02) = 1.353% kept Peak 3823 (7.39, 0.70, 21.22 ppm): 2 chemical-shift based assignments, quality = 0.276, support = 0.739, residual support = 0.715: HN GLU- 64 - QG2 THR 96 50.000% * 98.4291% (0.28 0.75 0.73) = 98.429% kept HE22 GLN 102 - QG2 THR 96 50.000% * 1.5709% (0.17 0.02 0.02) = 1.571% kept Peak 3824 (4.21, 0.70, 21.22 ppm): 7 chemical-shift based assignments, quality = 0.228, support = 0.634, residual support = 0.532: T HB3 SER 49 - QG2 THR 96 14.286% * 72.6823% (0.28 10.00 0.63 0.54) = 72.682% kept T HA SER 49 - QG2 THR 96 14.286% * 25.1601% (0.09 10.00 0.69 0.54) = 25.160% kept T HA GLU- 18 - QG2 THR 96 14.286% * 0.8177% (0.10 10.00 0.02 0.02) = 0.818% T HA VAL 73 - QG2 THR 96 14.286% * 0.7300% (0.09 10.00 0.02 0.02) = 0.730% HA ASP- 82 - QG2 THR 96 14.286% * 0.3272% (0.40 1.00 0.02 0.02) = 0.327% HA GLU- 12 - QG2 THR 96 14.286% * 0.2252% (0.28 1.00 0.02 0.02) = 0.225% HA ALA 42 - QG2 THR 96 14.286% * 0.0574% (0.07 1.00 0.02 0.02) = 0.057% Peak 3825 (4.38, 1.08, 21.52 ppm): 26 chemical-shift based assignments, quality = 0.585, support = 3.23, residual support = 28.2: O HA THR 95 - QG2 THR 95 3.846% * 82.9544% (0.68 10.0 1.00 3.26 30.62) = 82.954% kept O T HB THR 61 - QG2 THR 61 3.846% * 11.6913% (0.10 10.0 10.00 3.60 20.22) = 11.691% kept HA LYS+ 60 - QG2 THR 61 3.846% * 3.1080% (0.15 1.0 1.00 3.39 14.63) = 3.108% kept T HA ALA 37 - QG2 THR 95 3.846% * 1.0476% (0.85 1.0 10.00 0.02 0.02) = 1.048% kept T HA ALA 37 - QG2 THR 61 3.846% * 0.2083% (0.17 1.0 10.00 0.02 0.02) = 0.208% HA ALA 91 - QG2 THR 95 3.846% * 0.1205% (0.98 1.0 1.00 0.02 0.02) = 0.120% HA SER 88 - QG2 THR 95 3.846% * 0.1197% (0.98 1.0 1.00 0.02 0.02) = 0.120% HA SER 27 - QG2 THR 95 3.846% * 0.1083% (0.88 1.0 1.00 0.02 0.02) = 0.108% HA LYS+ 60 - QG2 THR 95 3.846% * 0.0923% (0.75 1.0 1.00 0.02 0.02) = 0.092% HA ASN 57 - QG2 THR 95 3.846% * 0.0877% (0.71 1.0 1.00 0.02 0.02) = 0.088% HA TRP 51 - QG2 THR 95 3.846% * 0.0877% (0.71 1.0 1.00 0.02 0.02) = 0.088% HA PRO 104 - QG2 THR 95 3.846% * 0.0684% (0.56 1.0 1.00 0.02 0.02) = 0.068% HB THR 61 - QG2 THR 95 3.846% * 0.0588% (0.48 1.0 1.00 0.02 0.02) = 0.059% HA2 GLY 26 - QG2 THR 95 3.846% * 0.0453% (0.37 1.0 1.00 0.02 0.02) = 0.045% HA PRO 86 - QG2 THR 95 3.846% * 0.0301% (0.25 1.0 1.00 0.02 0.02) = 0.030% HA ALA 91 - QG2 THR 61 3.846% * 0.0240% (0.20 1.0 1.00 0.02 0.02) = 0.024% HA SER 88 - QG2 THR 61 3.846% * 0.0238% (0.19 1.0 1.00 0.02 0.02) = 0.024% HA SER 27 - QG2 THR 61 3.846% * 0.0215% (0.18 1.0 1.00 0.02 0.02) = 0.022% HA HIS+ 14 - QG2 THR 95 3.846% * 0.0186% (0.15 1.0 1.00 0.02 0.02) = 0.019% HA ASN 57 - QG2 THR 61 3.846% * 0.0174% (0.14 1.0 1.00 0.02 0.02) = 0.017% HA TRP 51 - QG2 THR 61 3.846% * 0.0174% (0.14 1.0 1.00 0.02 0.02) = 0.017% HA THR 95 - QG2 THR 61 3.846% * 0.0165% (0.13 1.0 1.00 0.02 0.02) = 0.016% HA PRO 104 - QG2 THR 61 3.846% * 0.0136% (0.11 1.0 1.00 0.02 0.02) = 0.014% HA2 GLY 26 - QG2 THR 61 3.846% * 0.0090% (0.07 1.0 1.00 0.02 0.02) = 0.009% HA PRO 86 - QG2 THR 61 3.846% * 0.0060% (0.05 1.0 1.00 0.02 0.42) = 0.006% HA HIS+ 14 - QG2 THR 61 3.846% * 0.0037% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 3826 (4.87, 1.08, 21.52 ppm): 4 chemical-shift based assignments, quality = 0.573, support = 3.07, residual support = 15.8: HA THR 96 - QG2 THR 95 25.000% * 65.7315% (0.56 3.85 19.27) = 65.731% kept HA ILE 19 - QG2 THR 95 25.000% * 32.2032% (0.64 1.65 9.77) = 32.203% kept HA ILE 19 - QG2 THR 61 25.000% * 1.7606% (0.13 0.45 0.35) = 1.761% kept HA THR 96 - QG2 THR 61 25.000% * 0.3047% (0.11 0.09 0.02) = 0.305% Peak 3828 (5.36, 1.38, 22.41 ppm): 1 chemical-shift based assignment, quality = 0.753, support = 4.12, residual support = 13.9: HA THR 79 - QG2 THR 39 100.000% *100.0000% (0.75 4.12 13.85) = 100.000% kept Peak 3829 (4.74, 1.10, 22.26 ppm): 4 chemical-shift based assignments, quality = 0.424, support = 2.0, residual support = 5.28: HA LYS+ 20 - QG2 THR 79 25.000% * 55.2601% (0.56 2.18 2.67) = 55.260% kept HA THR 39 - QG2 THR 79 25.000% * 27.1501% (0.25 2.39 13.85) = 27.150% kept HA2 GLY 30 - QG2 THR 79 25.000% * 12.2263% (0.31 0.88 0.14) = 12.226% kept HA THR 61 - QG2 THR 79 25.000% * 5.3635% (0.16 0.74 0.48) = 5.363% kept Peak 3830 (3.47, -0.11, 21.88 ppm): 6 chemical-shift based assignments, quality = 0.77, support = 2.06, residual support = 3.54: HA VAL 80 - QD1 LEU 43 16.667% * 29.1456% (0.74 2.85 5.12) = 29.146% kept HD3 PRO 31 - QD1 LEU 43 16.667% * 25.1344% (0.95 1.92 4.84) = 25.134% kept HA VAL 40 - QD1 LEU 43 16.667% * 19.4496% (0.71 2.00 2.79) = 19.450% kept HA1 GLY 71 - QD1 LEU 43 16.667% * 15.5716% (0.97 1.17 1.12) = 15.572% kept HA VAL 62 - QD1 LEU 43 16.667% * 6.0934% (0.27 1.64 1.15) = 6.093% kept HA1 GLY 30 - QD1 LEU 43 16.667% * 4.6054% (0.19 1.74 0.86) = 4.605% kept Peak 3831 (2.59, -0.11, 21.88 ppm): 3 chemical-shift based assignments, quality = 0.585, support = 1.11, residual support = 5.53: HB2 PHE 34 - QD1 LEU 43 33.333% * 56.1718% (0.47 1.52 9.80) = 56.172% kept HA1 GLY 58 - QD1 LEU 43 33.333% * 30.9573% (0.96 0.41 0.02) = 30.957% kept HE2 LYS+ 20 - QD1 LEU 43 33.333% * 12.8709% (0.17 0.97 0.17) = 12.871% kept 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 = 0.907, support = 2.91, residual support = 36.6: HN VAL 94 - QG2 VAL 94 5.000% * 74.1075% (0.97 3.81 49.31) = 74.107% kept HN VAL 105 - QG2 VAL 94 5.000% * 8.9199% (0.97 0.46 0.02) = 8.920% kept HN ALA 11 - QG2 VAL 94 5.000% * 6.1760% (0.92 0.34 0.02) = 6.176% kept HN GLU- 45 - QG2 VAL 94 5.000% * 3.9503% (0.87 0.23 0.02) = 3.950% kept HN SER 49 - QG2 THR 96 5.000% * 2.4470% (0.19 0.63 0.54) = 2.447% kept HN LEU 67 - QG2 VAL 94 5.000% * 1.7309% (0.36 0.24 0.02) = 1.731% kept HN SER 49 - QG2 VAL 94 5.000% * 0.9459% (0.63 0.08 0.02) = 0.946% HN LEU 67 - QG2 THR 96 5.000% * 0.5368% (0.11 0.24 0.02) = 0.537% HN GLY 58 - QG2 VAL 94 5.000% * 0.1893% (0.47 0.02 0.02) = 0.189% HN LYS+ 81 - QG2 VAL 94 5.000% * 0.1460% (0.36 0.02 0.10) = 0.146% HN VAL 94 - QG2 THR 96 5.000% * 0.1206% (0.30 0.02 0.63) = 0.121% HN VAL 105 - QG2 THR 96 5.000% * 0.1203% (0.30 0.02 0.02) = 0.120% HN ALA 11 - QG2 THR 96 5.000% * 0.1141% (0.28 0.02 0.02) = 0.114% HN GLU- 45 - QG2 THR 96 5.000% * 0.1082% (0.27 0.02 0.02) = 0.108% HN GLU- 12 - QG2 VAL 94 5.000% * 0.1081% (0.27 0.02 0.02) = 0.108% HN ALA 33 - QG2 VAL 94 5.000% * 0.1081% (0.27 0.02 0.02) = 0.108% HN GLY 58 - QG2 THR 96 5.000% * 0.0587% (0.15 0.02 0.02) = 0.059% HN LYS+ 81 - QG2 THR 96 5.000% * 0.0453% (0.11 0.02 0.02) = 0.045% HN GLU- 12 - QG2 THR 96 5.000% * 0.0335% (0.08 0.02 0.02) = 0.034% HN ALA 33 - QG2 THR 96 5.000% * 0.0335% (0.08 0.02 0.02) = 0.034% Peak 3834 (4.26, 0.70, 21.72 ppm): 44 chemical-shift based assignments, quality = 0.408, support = 3.07, residual support = 38.4: O HA VAL 94 - QG2 VAL 94 2.273% * 77.6382% (0.42 10.0 3.69 49.31) = 77.638% kept HA GLU- 64 - QG2 THR 96 2.273% * 7.0614% (0.51 1.0 1.49 0.73) = 7.061% kept HA VAL 65 - QG2 THR 96 2.273% * 3.6382% (0.40 1.0 0.98 0.78) = 3.638% kept HA ALA 11 - QG2 VAL 94 2.273% * 3.1636% (0.54 1.0 0.63 0.02) = 3.164% kept HA PRO 59 - QG2 THR 96 2.273% * 2.6156% (0.32 1.0 0.89 0.02) = 2.616% kept HD3 PRO 59 - QG2 THR 96 2.273% * 2.1214% (0.36 1.0 0.64 0.02) = 2.121% kept HB3 SER 49 - QG2 THR 96 2.273% * 0.7738% (0.13 1.0 0.63 0.54) = 0.774% HA SER 49 - QG2 THR 96 2.273% * 0.5148% (0.08 1.0 0.69 0.54) = 0.515% HA SER 85 - QG2 VAL 94 2.273% * 0.3281% (0.44 1.0 0.08 0.02) = 0.328% HA GLU- 75 - QG2 VAL 94 2.273% * 0.1190% (0.64 1.0 0.02 0.51) = 0.119% HA GLU- 64 - QG2 VAL 94 2.273% * 0.1176% (0.63 1.0 0.02 0.02) = 0.118% HA GLU- 56 - QG2 VAL 94 2.273% * 0.1135% (0.61 1.0 0.02 0.02) = 0.114% HA GLU- 107 - QG2 VAL 94 2.273% * 0.1108% (0.60 1.0 0.02 0.02) = 0.111% HA ASN 76 - QG2 VAL 94 2.273% * 0.1076% (0.58 1.0 0.02 0.02) = 0.108% HA GLU- 75 - QG2 THR 96 2.273% * 0.0960% (0.52 1.0 0.02 0.02) = 0.096% HA VAL 65 - QG2 VAL 94 2.273% * 0.0917% (0.49 1.0 0.02 0.02) = 0.092% HA GLU- 56 - QG2 THR 96 2.273% * 0.0916% (0.49 1.0 0.02 0.02) = 0.092% HA GLU- 107 - QG2 THR 96 2.273% * 0.0894% (0.48 1.0 0.02 0.02) = 0.089% HA ASN 76 - QG2 THR 96 2.273% * 0.0868% (0.47 1.0 0.02 0.02) = 0.087% HA ARG+ 84 - QG2 VAL 94 2.273% * 0.0824% (0.44 1.0 0.02 0.02) = 0.082% HA PRO 52 - QG2 VAL 94 2.273% * 0.0824% (0.44 1.0 0.02 0.02) = 0.082% HD3 PRO 59 - QG2 VAL 94 2.273% * 0.0824% (0.44 1.0 0.02 0.02) = 0.082% HA ALA 11 - QG2 THR 96 2.273% * 0.0809% (0.44 1.0 0.02 0.02) = 0.081% HA PRO 59 - QG2 VAL 94 2.273% * 0.0728% (0.39 1.0 0.02 0.02) = 0.073% HA SER 85 - QG2 THR 96 2.273% * 0.0665% (0.36 1.0 0.02 2.81) = 0.067% HA ARG+ 84 - QG2 THR 96 2.273% * 0.0665% (0.36 1.0 0.02 0.02) = 0.067% HA PRO 52 - QG2 THR 96 2.273% * 0.0665% (0.36 1.0 0.02 0.02) = 0.067% HA VAL 94 - QG2 THR 96 2.273% * 0.0626% (0.34 1.0 0.02 0.63) = 0.063% HA LEU 90 - QG2 VAL 94 2.273% * 0.0450% (0.24 1.0 0.02 0.02) = 0.045% HA GLU- 10 - QG2 VAL 94 2.273% * 0.0409% (0.22 1.0 0.02 0.02) = 0.041% HA LYS+ 108 - QG2 VAL 94 2.273% * 0.0409% (0.22 1.0 0.02 0.02) = 0.041% HA GLU- 54 - QG2 VAL 94 2.273% * 0.0409% (0.22 1.0 0.02 0.02) = 0.041% HA LEU 90 - QG2 THR 96 2.273% * 0.0363% (0.20 1.0 0.02 0.02) = 0.036% HA GLU- 10 - QG2 THR 96 2.273% * 0.0330% (0.18 1.0 0.02 0.02) = 0.033% HA LYS+ 108 - QG2 THR 96 2.273% * 0.0330% (0.18 1.0 0.02 0.02) = 0.033% HA GLU- 54 - QG2 THR 96 2.273% * 0.0330% (0.18 1.0 0.02 0.02) = 0.033% HB3 SER 49 - QG2 VAL 94 2.273% * 0.0303% (0.16 1.0 0.02 0.02) = 0.030% HA ALA 42 - QG2 VAL 94 2.273% * 0.0238% (0.13 1.0 0.02 0.02) = 0.024% HA ALA 42 - QG2 THR 96 2.273% * 0.0192% (0.10 1.0 0.02 0.02) = 0.019% HA SER 49 - QG2 VAL 94 2.273% * 0.0185% (0.10 1.0 0.02 0.02) = 0.019% HA THR 106 - QG2 VAL 94 2.273% * 0.0185% (0.10 1.0 0.02 0.02) = 0.019% HA GLU- 18 - QG2 VAL 94 2.273% * 0.0162% (0.09 1.0 0.02 3.18) = 0.016% HA THR 106 - QG2 THR 96 2.273% * 0.0149% (0.08 1.0 0.02 0.02) = 0.015% HA GLU- 18 - QG2 THR 96 2.273% * 0.0131% (0.07 1.0 0.02 0.02) = 0.013% Peak 3835 (4.80, 0.92, 21.14 ppm): 6 chemical-shift based assignments, quality = 0.275, support = 0.401, residual support = 0.0995: HA ASN 15 - QG2 VAL 87 16.667% * 34.0548% (0.20 0.53 0.19) = 34.055% kept HB THR 39 - QG2 VAL 87 16.667% * 27.8870% (0.48 0.18 0.02) = 27.887% kept HA LEU 23 - QG2 VAL 105 16.667% * 25.1719% (0.16 0.51 0.11) = 25.172% kept HA ASN 15 - QG2 VAL 105 16.667% * 7.9854% (0.05 0.52 0.02) = 7.985% kept HA LEU 23 - QG2 VAL 87 16.667% * 4.1813% (0.66 0.02 0.02) = 4.181% kept HB THR 39 - QG2 VAL 105 16.667% * 0.7196% (0.11 0.02 0.02) = 0.720% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 3836 (7.99, 1.42, 21.50 ppm): 4 chemical-shift based assignments, quality = 0.868, support = 3.23, residual support = 11.3: HN LEU 43 - HD3 LYS+ 44 25.000% * 74.8064% (0.89 3.85 14.75) = 74.806% kept HN LEU 43 - QG2 THR 38 25.000% * 24.9451% (0.81 1.41 1.21) = 24.945% kept HN SER 27 - HD3 LYS+ 44 25.000% * 0.1298% (0.30 0.02 0.02) = 0.130% HN SER 27 - QG2 THR 38 25.000% * 0.1187% (0.27 0.02 0.02) = 0.119% Peak 3837 (7.87, 1.42, 21.50 ppm): 8 chemical-shift based assignments, quality = 0.674, support = 3.63, residual support = 16.6: HN THR 38 - QG2 THR 38 12.500% * 47.5611% (0.85 3.42 20.13) = 47.561% kept HN LYS+ 44 - HD3 LYS+ 44 12.500% * 40.1490% (0.51 4.85 17.45) = 40.149% kept HN LYS+ 44 - QG2 THR 38 12.500% * 5.1664% (0.46 0.68 0.02) = 5.166% kept HN LEU 90 - HD3 LYS+ 44 12.500% * 4.5584% (0.70 0.40 0.02) = 4.558% kept HN LEU 90 - QG2 THR 38 12.500% * 1.6595% (0.64 0.16 0.02) = 1.660% kept HD22 ASN 89 - HD3 LYS+ 44 12.500% * 0.3143% (0.96 0.02 0.02) = 0.314% HN THR 38 - HD3 LYS+ 44 12.500% * 0.3040% (0.93 0.02 0.02) = 0.304% HD22 ASN 89 - QG2 THR 38 12.500% * 0.2872% (0.88 0.02 0.02) = 0.287% Peak 3838 (7.73, 1.42, 21.50 ppm): 6 chemical-shift based assignments, quality = 0.819, support = 1.98, residual support = 1.59: HN ALA 42 - QG2 THR 38 16.667% * 53.3924% (0.88 2.34 1.57) = 53.392% kept HN ALA 42 - HD3 LYS+ 44 16.667% * 33.4787% (0.96 1.34 0.48) = 33.479% kept HN ALA 37 - QG2 THR 38 16.667% * 12.6779% (0.22 2.23 4.67) = 12.678% kept HN VAL 13 - HD3 LYS+ 44 16.667% * 0.1705% (0.33 0.02 0.02) = 0.171% HN VAL 13 - QG2 THR 38 16.667% * 0.1558% (0.30 0.02 0.02) = 0.156% HN ALA 37 - HD3 LYS+ 44 16.667% * 0.1246% (0.24 0.02 0.02) = 0.125% Peak 3839 (8.36, 1.32, 21.76 ppm): 4 chemical-shift based assignments, quality = 0.812, support = 0.45, residual support = 0.446: HN ALA 103 - QG2 THR 46 25.000% * 60.2820% (0.83 0.62 0.40) = 60.282% kept HN GLY 71 - QG2 THR 46 25.000% * 15.7351% (0.92 0.15 0.02) = 15.735% kept HN LYS+ 108 - QG2 THR 46 25.000% * 14.1887% (0.99 0.12 0.02) = 14.189% kept HN GLU- 50 - QG2 THR 46 25.000% * 9.7942% (0.25 0.34 2.01) = 9.794% kept Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 3840 (8.24, 1.32, 21.76 ppm): 11 chemical-shift based assignments, quality = 0.757, support = 1.61, residual support = 3.38: HN LYS+ 81 - QG2 THR 46 9.091% * 46.0162% (1.00 1.87 2.59) = 46.016% kept HN GLU- 45 - QG2 THR 46 9.091% * 14.3873% (0.17 3.34 14.78) = 14.387% kept HN VAL 105 - QG2 THR 46 9.091% * 11.9955% (0.34 1.43 0.44) = 11.995% kept HN SER 49 - QG2 THR 46 9.091% * 11.9863% (0.89 0.54 0.02) = 11.986% kept HN LEU 67 - QG2 THR 46 9.091% * 7.7236% (1.00 0.31 0.02) = 7.724% kept HN GLU- 12 - QG2 THR 46 9.091% * 3.6177% (0.98 0.15 0.02) = 3.618% kept HN ALA 11 - QG2 THR 46 9.091% * 1.6436% (0.22 0.30 0.11) = 1.644% kept HN THR 106 - QG2 THR 46 9.091% * 1.3126% (0.61 0.09 0.02) = 1.313% kept HN VAL 94 - QG2 THR 46 9.091% * 0.7123% (0.37 0.08 0.02) = 0.712% HN GLY 58 - QG2 THR 46 9.091% * 0.4822% (0.98 0.02 0.02) = 0.482% HN GLN 16 - QG2 THR 46 9.091% * 0.1227% (0.25 0.02 0.02) = 0.123% Peak 3841 (8.23, 1.11, 21.74 ppm): 30 chemical-shift based assignments, quality = 0.155, support = 1.4, residual support = 6.09: HN VAL 94 - QG2 THR 95 3.333% * 27.3361% (0.12 2.44 20.34) = 27.336% kept HN LYS+ 81 - QG2 THR 79 3.333% * 25.2152% (0.12 2.31 1.99) = 25.215% kept HN LYS+ 81 - QG2 THR 95 3.333% * 8.4218% (0.16 0.60 0.02) = 8.422% kept HN SER 49 - QG2 THR 61 3.333% * 7.4659% (0.38 0.21 0.02) = 7.466% kept HN LEU 67 - QG2 THR 61 3.333% * 7.1714% (0.33 0.24 0.02) = 7.171% kept HN THR 106 - QG2 THR 79 3.333% * 3.8910% (0.04 1.00 0.39) = 3.891% kept HN GLY 58 - QG2 THR 61 3.333% * 2.6669% (0.36 0.08 0.15) = 2.667% kept HN LEU 67 - QG2 THR 95 3.333% * 2.3249% (0.16 0.16 0.16) = 2.325% kept HN VAL 94 - QG2 THR 79 3.333% * 2.3162% (0.10 0.27 0.02) = 2.316% kept HN VAL 105 - QG2 THR 79 3.333% * 2.2501% (0.09 0.28 0.02) = 2.250% kept HN SER 49 - QG2 THR 95 3.333% * 1.6391% (0.18 0.10 0.02) = 1.639% kept HN GLU- 45 - QG2 THR 61 3.333% * 1.3860% (0.16 0.10 0.02) = 1.386% kept HN GLU- 45 - QG2 THR 79 3.333% * 1.2308% (0.06 0.24 0.02) = 1.231% kept HN LEU 67 - QG2 THR 79 3.333% * 0.9524% (0.12 0.09 0.02) = 0.952% HN VAL 105 - QG2 THR 95 3.333% * 0.8553% (0.12 0.08 0.02) = 0.855% HN ALA 11 - QG2 THR 95 3.333% * 0.6573% (0.09 0.08 0.02) = 0.657% HN LYS+ 81 - QG2 THR 61 3.333% * 0.6048% (0.33 0.02 0.02) = 0.605% HN GLU- 12 - QG2 THR 61 3.333% * 0.5328% (0.29 0.02 0.02) = 0.533% HN VAL 94 - QG2 THR 61 3.333% * 0.4789% (0.26 0.02 0.02) = 0.479% HN VAL 105 - QG2 THR 61 3.333% * 0.4510% (0.25 0.02 0.02) = 0.451% HN ALA 11 - QG2 THR 61 3.333% * 0.3394% (0.19 0.02 0.02) = 0.339% HN GLY 58 - QG2 THR 95 3.333% * 0.3085% (0.17 0.02 0.02) = 0.308% HN SER 49 - QG2 THR 79 3.333% * 0.2514% (0.14 0.02 0.02) = 0.251% HN GLU- 12 - QG2 THR 95 3.333% * 0.2492% (0.14 0.02 0.02) = 0.249% HN GLY 58 - QG2 THR 79 3.333% * 0.2383% (0.13 0.02 0.02) = 0.238% HN THR 106 - QG2 THR 61 3.333% * 0.2152% (0.12 0.02 0.02) = 0.215% HN GLU- 12 - QG2 THR 79 3.333% * 0.1925% (0.11 0.02 0.02) = 0.193% HN GLU- 45 - QG2 THR 95 3.333% * 0.1341% (0.07 0.02 0.02) = 0.134% HN ALA 11 - QG2 THR 79 3.333% * 0.1226% (0.07 0.02 0.02) = 0.123% HN THR 106 - QG2 THR 95 3.333% * 0.1006% (0.06 0.02 0.02) = 0.101% Peak 3842 (7.83, 1.11, 21.74 ppm): 9 chemical-shift based assignments, quality = 0.356, support = 2.35, residual support = 2.76: HN LYS+ 63 - QG2 THR 61 11.111% * 90.3675% (0.38 2.56 3.05) = 90.367% kept HN LYS+ 63 - QG2 THR 79 11.111% * 5.6517% (0.14 0.44 0.02) = 5.652% kept HN LYS+ 55 - QG2 THR 79 11.111% * 2.8154% (0.07 0.42 0.31) = 2.815% kept HN LYS+ 55 - QG2 THR 61 11.111% * 0.3725% (0.20 0.02 0.02) = 0.373% HN LYS+ 63 - QG2 THR 95 11.111% * 0.3304% (0.18 0.02 0.02) = 0.330% HN LYS+ 55 - QG2 THR 95 11.111% * 0.1742% (0.09 0.02 0.02) = 0.174% HN ALA 93 - QG2 THR 61 11.111% * 0.1576% (0.09 0.02 0.02) = 0.158% HN ALA 93 - QG2 THR 95 11.111% * 0.0737% (0.04 0.02 0.02) = 0.074% HN ALA 93 - QG2 THR 79 11.111% * 0.0570% (0.03 0.02 0.02) = 0.057% Peak 3843 (8.33, 0.59, 22.44 ppm): 5 chemical-shift based assignments, quality = 0.172, support = 2.58, residual support = 6.3: HN GLU- 50 - QD1 LEU 23 20.000% * 55.1489% (0.20 2.59 2.11) = 55.149% kept HN VAL 99 - QD1 LEU 23 20.000% * 42.0912% (0.15 2.73 12.21) = 42.091% kept HN ALA 103 - QD1 LEU 23 20.000% * 1.4570% (0.06 0.23 0.02) = 1.457% kept HN ALA 91 - QD1 LEU 23 20.000% * 0.8329% (0.04 0.21 0.02) = 0.833% HN ASN 76 - QD1 LEU 23 20.000% * 0.4699% (0.22 0.02 0.02) = 0.470% Peak 3844 (-0.03, -0.02, 22.27 ppm): 1 diagonal assignment: QD1 LEU 74 - QD1 LEU 74 (0.82) kept Peak 3845 (-0.11, 1.42, 21.48 ppm): 2 chemical-shift based assignments, quality = 0.892, support = 2.55, residual support = 10.8: T QD1 LEU 43 - HD3 LYS+ 44 50.000% * 70.7564% (0.92 10.00 3.23 14.75) = 70.756% kept T QD1 LEU 43 - QG2 THR 38 50.000% * 29.2436% (0.83 10.00 0.91 1.21) = 29.244% kept Peak 3846 (2.23, 1.32, 21.79 ppm): 15 chemical-shift based assignments, quality = 0.772, support = 1.16, residual support = 1.12: HB3 PRO 35 - QG2 THR 46 6.667% * 33.1714% (0.83 1.83 1.16) = 33.171% kept HB2 GLU- 50 - QG2 THR 46 6.667% * 26.5137% (0.86 1.42 2.01) = 26.514% kept HG2 GLU- 64 - QG2 THR 46 6.667% * 10.2170% (0.83 0.56 0.16) = 10.217% kept HG3 GLU- 56 - QG2 THR 46 6.667% * 7.8378% (0.72 0.50 1.20) = 7.838% kept HG2 GLU- 56 - QG2 THR 46 6.667% * 6.6910% (0.60 0.51 1.20) = 6.691% kept HG3 GLU- 64 - QG2 THR 46 6.667% * 5.1366% (0.51 0.46 0.16) = 5.137% kept HG3 GLN 102 - QG2 THR 46 6.667% * 4.0432% (0.97 0.19 0.02) = 4.043% kept HA1 GLY 58 - QG2 THR 46 6.667% * 2.7056% (0.39 0.32 0.02) = 2.706% kept HG3 GLU- 10 - QG2 THR 46 6.667% * 2.0945% (0.64 0.15 0.02) = 2.095% kept HB3 PRO 52 - QG2 THR 46 6.667% * 0.4306% (0.99 0.02 0.02) = 0.431% HG3 GLU- 18 - QG2 THR 46 6.667% * 0.3984% (0.91 0.02 0.02) = 0.398% HG3 MET 97 - QG2 THR 46 6.667% * 0.3298% (0.75 0.02 0.02) = 0.330% HB3 ASN 15 - QG2 THR 46 6.667% * 0.2101% (0.48 0.02 0.02) = 0.210% HG3 GLN 16 - QG2 THR 46 6.667% * 0.1620% (0.37 0.02 0.02) = 0.162% HG3 GLU- 107 - QG2 THR 46 6.667% * 0.0584% (0.13 0.02 0.02) = 0.058% Peak 3847 (1.67, 1.08, 21.47 ppm): 16 chemical-shift based assignments, quality = 0.923, support = 1.12, residual support = 0.919: T HB3 MET 97 - QG2 THR 95 6.250% * 61.5324% (0.99 10.00 1.42 1.04) = 61.532% kept T HB3 LYS+ 66 - QG2 THR 95 6.250% * 30.9209% (0.97 10.00 0.72 0.35) = 30.921% kept T HB3 LYS+ 66 - QG2 THR 61 6.250% * 2.9039% (0.19 10.00 0.34 0.02) = 2.904% kept HG13 ILE 19 - QG2 THR 95 6.250% * 1.7357% (0.41 1.00 0.97 9.77) = 1.736% kept T HB3 MET 97 - QG2 THR 61 6.250% * 0.9802% (0.20 10.00 0.11 0.02) = 0.980% HB3 LYS+ 81 - QG2 THR 95 6.250% * 0.9241% (0.89 1.00 0.24 0.02) = 0.924% HB ILE 100 - QG2 THR 61 6.250% * 0.4951% (0.20 1.00 0.58 0.02) = 0.495% HG13 ILE 19 - QG2 THR 61 6.250% * 0.1315% (0.08 1.00 0.37 0.35) = 0.131% HB ILE 100 - QG2 THR 95 6.250% * 0.0863% (0.98 1.00 0.02 0.02) = 0.086% HG3 ARG+ 84 - QG2 THR 61 6.250% * 0.0841% (0.18 1.00 0.11 0.02) = 0.084% HG3 ARG+ 84 - QG2 THR 95 6.250% * 0.0804% (0.92 1.00 0.02 0.02) = 0.080% HD3 LYS+ 55 - QG2 THR 95 6.250% * 0.0458% (0.52 1.00 0.02 0.02) = 0.046% HB3 ARG+ 22 - QG2 THR 95 6.250% * 0.0458% (0.52 1.00 0.02 0.25) = 0.046% HB3 LYS+ 81 - QG2 THR 61 6.250% * 0.0155% (0.18 1.00 0.02 0.02) = 0.016% HD3 LYS+ 55 - QG2 THR 61 6.250% * 0.0091% (0.10 1.00 0.02 0.02) = 0.009% HB3 ARG+ 22 - QG2 THR 61 6.250% * 0.0091% (0.10 1.00 0.02 0.02) = 0.009% Peak 3848 (1.83, 0.82, 21.38 ppm): 9 chemical-shift based assignments, quality = 0.221, support = 3.27, residual support = 38.1: O T HB VAL 94 - QG1 VAL 94 11.111% * 77.3167% (0.17 10.0 10.00 4.08 49.31) = 77.317% kept HG3 LYS+ 108 - QG1 VAL 94 11.111% * 10.3226% (0.52 1.0 1.00 0.87 0.02) = 10.323% kept T HB3 LYS+ 72 - QG1 VAL 94 11.111% * 7.3912% (0.34 1.0 10.00 0.09 0.02) = 7.391% kept HB2 PRO 104 - QG1 VAL 94 11.111% * 3.9030% (0.31 1.0 1.00 0.55 0.02) = 3.903% kept HB2 PRO 59 - QG1 VAL 94 11.111% * 0.3473% (0.76 1.0 1.00 0.02 0.02) = 0.347% HB2 LYS+ 66 - QG1 VAL 94 11.111% * 0.2901% (0.63 1.0 1.00 0.02 0.02) = 0.290% HD3 LYS+ 72 - QG1 VAL 94 11.111% * 0.1827% (0.40 1.0 1.00 0.02 0.02) = 0.183% HB3 LYS+ 60 - QG1 VAL 94 11.111% * 0.1690% (0.37 1.0 1.00 0.02 0.02) = 0.169% HB3 ARG+ 84 - QG1 VAL 94 11.111% * 0.0773% (0.17 1.0 1.00 0.02 0.02) = 0.077% Peak 3849 (1.99, 0.82, 21.38 ppm): 8 chemical-shift based assignments, quality = 0.567, support = 0.638, residual support = 0.62: T HB2 LYS+ 108 - QG1 VAL 94 12.500% * 61.3520% (0.72 10.00 0.33 0.02) = 61.352% kept HB2 GLU- 18 - QG1 VAL 94 12.500% * 15.1359% (0.34 1.00 1.72 3.18) = 15.136% kept HB VAL 73 - QG1 VAL 94 12.500% * 9.3409% (0.31 1.00 1.15 1.15) = 9.341% kept HG3 PRO 104 - QG1 VAL 94 12.500% * 4.7493% (0.37 1.00 0.50 0.02) = 4.749% kept HB3 GLU- 75 - QG1 VAL 94 12.500% * 3.5463% (0.15 1.00 0.92 0.51) = 3.546% kept HG2 PRO 86 - QG1 VAL 94 12.500% * 3.2051% (0.49 1.00 0.25 0.02) = 3.205% kept HB2 HIS+ 14 - QG1 VAL 94 12.500% * 2.2082% (0.43 1.00 0.20 0.02) = 2.208% kept HB3 GLU- 107 - QG1 VAL 94 12.500% * 0.4624% (0.17 1.00 0.11 0.02) = 0.462% Peak 3850 (4.01, 0.82, 21.38 ppm): 4 chemical-shift based assignments, quality = 0.678, support = 2.68, residual support = 18.4: HB THR 95 - QG1 VAL 94 25.000% * 90.2985% (0.68 1.00 2.97 20.34) = 90.298% kept T HA VAL 13 - QG1 VAL 94 25.000% * 5.8879% (0.66 10.00 0.02 0.02) = 5.888% kept HA THR 38 - QG1 VAL 94 25.000% * 3.6042% (0.75 1.00 0.11 0.02) = 3.604% kept HA1 GLY 92 - QG1 VAL 94 25.000% * 0.2095% (0.23 1.00 0.02 0.02) = 0.210% Peak 3851 (3.89, 0.92, 21.03 ppm): 8 chemical-shift based assignments, quality = 0.286, support = 1.33, residual support = 4.22: HD2 PRO 86 - QG2 VAL 87 12.500% * 56.0225% (0.43 1.00 1.79 4.93) = 56.022% kept T HB2 SER 85 - QG2 VAL 87 12.500% * 25.3315% (0.09 10.00 0.39 0.11) = 25.331% kept HB3 SER 88 - QG2 VAL 87 12.500% * 11.2538% (0.08 1.00 1.94 12.66) = 11.254% kept HA GLU- 45 - QG2 VAL 87 12.500% * 3.7022% (0.20 1.00 0.25 0.11) = 3.702% kept T HB3 SER 27 - QG2 VAL 87 12.500% * 2.7186% (0.19 10.00 0.02 0.02) = 2.719% kept HD3 PRO 35 - QG2 VAL 87 12.500% * 0.5524% (0.38 1.00 0.02 0.02) = 0.552% HB2 SER 77 - QG2 VAL 87 12.500% * 0.2719% (0.19 1.00 0.02 0.02) = 0.272% HB3 SER 77 - QG2 VAL 87 12.500% * 0.1472% (0.10 1.00 0.02 0.02) = 0.147% Peak 3852 (1.86, 0.68, 21.81 ppm): 12 chemical-shift based assignments, quality = 0.699, support = 3.51, residual support = 45.2: O T HB VAL 94 - QG2 VAL 94 8.333% * 91.6070% (0.71 10.0 10.00 3.81 49.31) = 91.607% kept T HB3 LYS+ 72 - QG2 VAL 94 8.333% * 5.4187% (0.65 1.0 10.00 0.13 0.02) = 5.419% kept HB2 PRO 104 - QG2 VAL 94 8.333% * 1.3422% (0.67 1.0 1.00 0.31 0.02) = 1.342% kept HB3 LYS+ 60 - QG2 VAL 94 8.333% * 1.2499% (0.63 1.0 1.00 0.30 0.02) = 1.250% kept T HB VAL 94 - QG2 THR 96 8.333% * 0.1402% (0.11 1.0 10.00 0.02 0.63) = 0.140% T HB3 LYS+ 72 - QG2 THR 96 8.333% * 0.1297% (0.10 1.0 10.00 0.02 0.02) = 0.130% HB2 LYS+ 66 - QG2 VAL 94 8.333% * 0.0520% (0.40 1.0 1.00 0.02 0.02) = 0.052% HB2 PRO 59 - QG2 VAL 94 8.333% * 0.0229% (0.18 1.0 1.00 0.02 0.02) = 0.023% HB2 PRO 104 - QG2 THR 96 8.333% * 0.0133% (0.10 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 60 - QG2 THR 96 8.333% * 0.0126% (0.10 1.0 1.00 0.02 0.60) = 0.013% HB2 LYS+ 66 - QG2 THR 96 8.333% * 0.0080% (0.06 1.0 1.00 0.02 0.12) = 0.008% HB2 PRO 59 - QG2 THR 96 8.333% * 0.0035% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 3853 (1.36, 0.68, 21.81 ppm): 16 chemical-shift based assignments, quality = 0.615, support = 1.1, residual support = 3.95: HB3 LEU 17 - QG2 VAL 94 6.250% * 34.8993% (0.71 1.42 8.81) = 34.899% kept HB3 LYS+ 20 - QG2 VAL 94 6.250% * 31.7589% (0.65 1.40 2.45) = 31.759% kept HG3 LYS+ 81 - QG2 VAL 94 6.250% * 6.9933% (0.70 0.29 0.10) = 6.993% kept QB ALA 11 - QG2 VAL 94 6.250% * 6.8997% (0.63 0.31 0.02) = 6.900% kept HB3 LYS+ 20 - QG2 THR 96 6.250% * 5.4154% (0.10 1.56 1.55) = 5.415% kept HG3 ARG+ 22 - QG2 VAL 94 6.250% * 5.0057% (0.70 0.20 0.02) = 5.006% kept HG2 LYS+ 78 - QG2 VAL 94 6.250% * 4.1525% (0.43 0.28 0.02) = 4.152% kept QG2 THR 39 - QG2 VAL 94 6.250% * 3.4240% (0.29 0.34 0.19) = 3.424% kept HG13 ILE 68 - QG2 VAL 94 6.250% * 0.6889% (0.18 0.11 0.02) = 0.689% QG2 THR 39 - QG2 THR 96 6.250% * 0.4051% (0.04 0.26 0.02) = 0.405% HB3 LEU 17 - QG2 THR 96 6.250% * 0.0753% (0.11 0.02 0.02) = 0.075% HG3 LYS+ 81 - QG2 THR 96 6.250% * 0.0748% (0.11 0.02 0.02) = 0.075% HG3 ARG+ 22 - QG2 THR 96 6.250% * 0.0748% (0.11 0.02 0.02) = 0.075% QB ALA 11 - QG2 THR 96 6.250% * 0.0677% (0.10 0.02 0.02) = 0.068% HG2 LYS+ 78 - QG2 THR 96 6.250% * 0.0458% (0.07 0.02 0.02) = 0.046% HG13 ILE 68 - QG2 THR 96 6.250% * 0.0188% (0.03 0.02 0.02) = 0.019% Peak 3854 (1.98, 0.68, 21.81 ppm): 16 chemical-shift based assignments, quality = 0.252, support = 1.14, residual support = 0.811: T HB3 GLU- 75 - QG2 VAL 94 6.250% * 56.1480% (0.11 10.00 1.34 0.51) = 56.148% kept HB VAL 73 - QG2 VAL 94 6.250% * 17.6981% (0.46 1.00 1.05 1.15) = 17.698% kept HB2 GLU- 18 - QG2 VAL 94 6.250% * 10.0530% (0.18 1.00 1.55 3.18) = 10.053% kept HB2 LYS+ 108 - QG2 VAL 94 6.250% * 8.6723% (0.71 1.00 0.33 0.02) = 8.672% kept HG3 PRO 104 - QG2 VAL 94 6.250% * 5.4913% (0.51 1.00 0.29 0.02) = 5.491% kept T HB3 GLU- 75 - QG2 THR 96 6.250% * 1.1713% (0.02 10.00 0.18 0.02) = 1.171% kept HG2 PRO 86 - QG2 VAL 94 6.250% * 0.2142% (0.29 1.00 0.02 0.02) = 0.214% HB2 HIS+ 14 - QG2 VAL 94 6.250% * 0.1777% (0.24 1.00 0.02 0.02) = 0.178% HB VAL 13 - QG2 VAL 94 6.250% * 0.0912% (0.12 1.00 0.02 0.02) = 0.091% HB2 LYS+ 108 - QG2 THR 96 6.250% * 0.0796% (0.11 1.00 0.02 0.02) = 0.080% HG3 PRO 104 - QG2 THR 96 6.250% * 0.0579% (0.08 1.00 0.02 0.02) = 0.058% HB VAL 73 - QG2 THR 96 6.250% * 0.0516% (0.07 1.00 0.02 0.02) = 0.052% HG2 PRO 86 - QG2 THR 96 6.250% * 0.0328% (0.04 1.00 0.02 4.49) = 0.033% HB2 HIS+ 14 - QG2 THR 96 6.250% * 0.0272% (0.04 1.00 0.02 0.02) = 0.027% HB2 GLU- 18 - QG2 THR 96 6.250% * 0.0199% (0.03 1.00 0.02 0.02) = 0.020% HB VAL 13 - QG2 THR 96 6.250% * 0.0140% (0.02 1.00 0.02 0.02) = 0.014% Peak 3855 (1.45, 0.70, 21.32 ppm): 18 chemical-shift based assignments, quality = 0.574, support = 0.738, residual support = 0.67: HG3 LYS+ 60 - QG2 THR 96 5.556% * 48.2320% (0.64 0.99 0.60) = 48.232% kept HG13 ILE 48 - QG2 THR 96 5.556% * 28.6130% (0.54 0.69 1.32) = 28.613% kept HG2 PRO 59 - QG2 THR 96 5.556% * 16.2953% (0.64 0.33 0.02) = 16.295% kept HG3 LYS+ 60 - QG2 VAL 94 5.556% * 3.1804% (0.17 0.24 0.02) = 3.180% kept HG LEU 90 - QG2 THR 96 5.556% * 0.7876% (0.52 0.02 0.02) = 0.788% HB3 LEU 67 - QG2 THR 96 5.556% * 0.5016% (0.33 0.02 0.02) = 0.502% HG3 LYS+ 55 - QG2 THR 96 5.556% * 0.4620% (0.30 0.02 0.02) = 0.462% QG2 THR 38 - QG2 THR 96 5.556% * 0.3181% (0.21 0.02 0.02) = 0.318% HG2 PRO 59 - QG2 VAL 94 5.556% * 0.2654% (0.17 0.02 0.02) = 0.265% QB ALA 91 - QG2 THR 96 5.556% * 0.2570% (0.17 0.02 0.02) = 0.257% HG13 ILE 48 - QG2 VAL 94 5.556% * 0.2247% (0.15 0.02 0.02) = 0.225% HG LEU 90 - QG2 VAL 94 5.556% * 0.2144% (0.14 0.02 0.02) = 0.214% HD3 LYS+ 44 - QG2 THR 96 5.556% * 0.1805% (0.12 0.02 0.02) = 0.180% HB3 LEU 67 - QG2 VAL 94 5.556% * 0.1366% (0.09 0.02 0.02) = 0.137% HG3 LYS+ 55 - QG2 VAL 94 5.556% * 0.1258% (0.08 0.02 0.02) = 0.126% QG2 THR 38 - QG2 VAL 94 5.556% * 0.0866% (0.06 0.02 0.02) = 0.087% QB ALA 91 - QG2 VAL 94 5.556% * 0.0700% (0.05 0.02 0.02) = 0.070% HD3 LYS+ 44 - QG2 VAL 94 5.556% * 0.0491% (0.03 0.02 0.02) = 0.049% Peak 3856 (8.18, 0.73, 22.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3857 (8.73, 0.73, 22.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3858 (4.27, 0.68, 21.70 ppm): 34 chemical-shift based assignments, quality = 0.86, support = 3.45, residual support = 45.4: O HA VAL 94 - QG2 VAL 94 2.941% * 91.9414% (0.92 10.0 3.69 49.31) = 91.941% kept HA GLU- 64 - QG2 THR 96 2.941% * 2.0704% (0.28 1.0 1.49 0.73) = 2.070% kept HA ALA 11 - QG2 VAL 94 2.941% * 1.4930% (0.47 1.0 0.63 0.02) = 1.493% kept HA VAL 65 - QG2 THR 96 2.941% * 1.4690% (0.30 1.0 0.98 0.78) = 1.469% kept HD3 PRO 59 - QG2 THR 96 2.941% * 0.9279% (0.29 1.0 0.64 0.02) = 0.928% HA SER 85 - QG2 VAL 94 2.941% * 0.3733% (0.94 1.0 0.08 0.02) = 0.373% HA PRO 59 - QG2 THR 96 2.941% * 0.3733% (0.08 1.0 0.89 0.02) = 0.373% HB3 SER 49 - QG2 THR 96 2.941% * 0.1914% (0.06 1.0 0.63 0.54) = 0.191% HA VAL 65 - QG2 VAL 94 2.941% * 0.0963% (0.96 1.0 0.02 0.02) = 0.096% HD3 PRO 59 - QG2 VAL 94 2.941% * 0.0938% (0.94 1.0 0.02 0.02) = 0.094% HA PRO 52 - QG2 VAL 94 2.941% * 0.0938% (0.94 1.0 0.02 0.02) = 0.094% HA ARG+ 84 - QG2 VAL 94 2.941% * 0.0938% (0.94 1.0 0.02 0.02) = 0.094% HA GLU- 64 - QG2 VAL 94 2.941% * 0.0897% (0.89 1.0 0.02 0.02) = 0.090% HA GLU- 75 - QG2 VAL 94 2.941% * 0.0872% (0.87 1.0 0.02 0.51) = 0.087% HA LEU 90 - QG2 VAL 94 2.941% * 0.0706% (0.70 1.0 0.02 0.02) = 0.071% HA GLU- 56 - QG2 VAL 94 2.941% * 0.0629% (0.63 1.0 0.02 0.02) = 0.063% HA GLU- 107 - QG2 VAL 94 2.941% * 0.0590% (0.59 1.0 0.02 0.02) = 0.059% HA ASN 76 - QG2 VAL 94 2.941% * 0.0550% (0.55 1.0 0.02 0.02) = 0.055% HA THR 106 - QG2 VAL 94 2.941% * 0.0400% (0.40 1.0 0.02 0.02) = 0.040% HA ARG+ 84 - QG2 THR 96 2.941% * 0.0291% (0.29 1.0 0.02 0.02) = 0.029% HA PRO 52 - QG2 THR 96 2.941% * 0.0291% (0.29 1.0 0.02 0.02) = 0.029% HA SER 85 - QG2 THR 96 2.941% * 0.0291% (0.29 1.0 0.02 2.81) = 0.029% HA VAL 94 - QG2 THR 96 2.941% * 0.0285% (0.28 1.0 0.02 0.63) = 0.029% HA GLU- 75 - QG2 THR 96 2.941% * 0.0270% (0.27 1.0 0.02 0.02) = 0.027% HA PRO 59 - QG2 VAL 94 2.941% * 0.0270% (0.27 1.0 0.02 0.02) = 0.027% HA LEU 90 - QG2 THR 96 2.941% * 0.0219% (0.22 1.0 0.02 0.02) = 0.022% HA GLU- 56 - QG2 THR 96 2.941% * 0.0195% (0.19 1.0 0.02 0.02) = 0.019% HB3 SER 49 - QG2 VAL 94 2.941% * 0.0195% (0.19 1.0 0.02 0.02) = 0.019% HA ASP- 36 - QG2 VAL 94 2.941% * 0.0192% (0.19 1.0 0.02 0.02) = 0.019% HA GLU- 107 - QG2 THR 96 2.941% * 0.0183% (0.18 1.0 0.02 0.02) = 0.018% HA ASN 76 - QG2 THR 96 2.941% * 0.0171% (0.17 1.0 0.02 0.02) = 0.017% HA ALA 11 - QG2 THR 96 2.941% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% HA THR 106 - QG2 THR 96 2.941% * 0.0124% (0.12 1.0 0.02 0.02) = 0.012% HA ASP- 36 - QG2 THR 96 2.941% * 0.0060% (0.06 1.0 0.02 0.02) = 0.006% Peak 3859 (2.75, 0.58, 22.45 ppm): 3 chemical-shift based assignments, quality = 0.224, support = 1.09, residual support = 3.45: HA1 GLY 58 - QD1 LEU 23 33.333% * 50.8715% (0.24 1.25 4.84) = 50.871% kept HE3 LYS+ 20 - QD1 LEU 23 33.333% * 40.5938% (0.24 0.98 2.23) = 40.594% kept HB3 PHE 21 - QD1 LEU 23 33.333% * 8.5347% (0.08 0.63 0.94) = 8.535% kept Peak 3860 (2.95, 0.58, 22.45 ppm): 3 chemical-shift based assignments, quality = 0.132, support = 1.1, residual support = 4.16: HA1 GLY 58 - QD1 LEU 23 33.333% * 84.0452% (0.15 1.25 4.84) = 84.045% kept HB2 PHE 21 - QD1 LEU 23 33.333% * 8.9264% (0.09 0.22 0.94) = 8.926% kept HE3 LYS+ 60 - QD1 LEU 23 33.333% * 7.0284% (0.03 0.44 0.12) = 7.028% kept Peak 3861 (9.37, 1.54, 22.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3862 (8.18, 1.38, 22.40 ppm): 4 chemical-shift based assignments, quality = 0.413, support = 2.06, residual support = 2.53: HN SER 41 - QG2 THR 39 25.000% * 97.2477% (0.41 2.12 2.60) = 97.248% kept HN ALA 33 - QG2 THR 39 25.000% * 1.8644% (0.83 0.02 0.02) = 1.864% kept HN GLU- 45 - QG2 THR 39 25.000% * 0.4969% (0.22 0.02 0.02) = 0.497% HN ALA 11 - QG2 THR 39 25.000% * 0.3909% (0.17 0.02 0.02) = 0.391% Peak 3863 (8.08, -0.03, 22.30 ppm): 1 chemical-shift based assignment, quality = 0.271, support = 0.225, residual support = 0.225: HN ASN 15 - QD1 LEU 74 100.000% *100.0000% (0.27 0.23 0.23) = 100.000% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 3864 (6.74, -0.03, 22.30 ppm): 2 chemical-shift based assignments, quality = 0.951, support = 3.17, residual support = 16.8: QE TYR 83 - QD1 LEU 74 50.000% * 99.4297% (0.96 3.19 16.86) = 99.430% kept HZ3 TRP 51 - QD1 LEU 74 50.000% * 0.5703% (0.88 0.02 0.02) = 0.570% Peak 3865 (4.97, -0.03, 22.30 ppm): 6 chemical-shift based assignments, quality = 0.705, support = 2.37, residual support = 13.8: HA SER 69 - QD1 LEU 74 16.667% * 42.1139% (0.51 4.02 31.90) = 42.114% kept HA MET 97 - QD1 LEU 74 16.667% * 28.2782% (0.96 1.45 0.99) = 28.278% kept HA ALA 33 - QD1 LEU 74 16.667% * 19.7288% (0.88 1.10 0.53) = 19.729% kept HA HIS+ 98 - QD1 LEU 74 16.667% * 7.2068% (0.55 0.64 0.02) = 7.207% kept HA PRO 31 - QD1 LEU 74 16.667% * 1.5990% (0.17 0.46 0.02) = 1.599% kept HA ILE 101 - QD1 LEU 74 16.667% * 1.0733% (0.27 0.19 0.13) = 1.073% kept Peak 3866 (1.16, 0.11, 22.14 ppm): 6 chemical-shift based assignments, quality = 0.252, support = 0.807, residual support = 0.383: QB ALA 33 - QG2 VAL 47 16.667% * 57.5446% (0.21 1.10 0.51) = 57.545% kept HB2 LEU 43 - QG2 VAL 47 16.667% * 36.6956% (0.32 0.46 0.25) = 36.696% kept HG3 PRO 59 - QG2 VAL 47 16.667% * 1.7214% (0.35 0.02 0.02) = 1.721% kept HG3 LYS+ 32 - QG2 VAL 47 16.667% * 1.6948% (0.05 0.13 0.02) = 1.695% kept QG2 THR 106 - QG2 VAL 47 16.667% * 1.4379% (0.29 0.02 0.02) = 1.438% kept HB2 LEU 74 - QG2 VAL 47 16.667% * 0.9057% (0.18 0.02 0.02) = 0.906% Peak 3867 (2.65, 0.73, 22.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3868 (3.92, 0.73, 22.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3869 (1.15, 0.73, 22.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3870 (0.72, 0.73, 22.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3871 (2.15, 0.89, 22.12 ppm): 13 chemical-shift based assignments, quality = 0.748, support = 2.84, residual support = 47.8: O T HB VAL 47 - QG1 VAL 47 7.692% * 64.3738% (0.85 10.0 10.00 3.93 74.16) = 64.374% kept T HB3 GLU- 75 - QG1 VAL 47 7.692% * 23.8926% (0.62 1.0 10.00 1.02 0.21) = 23.893% kept T HB3 PRO 35 - QG1 VAL 47 7.692% * 10.1925% (0.45 1.0 10.00 0.60 0.02) = 10.192% kept HG2 GLU- 45 - QG1 VAL 47 7.692% * 1.0471% (0.45 1.0 1.00 0.62 0.11) = 1.047% kept T HB VAL 87 - QG1 VAL 47 7.692% * 0.0944% (0.12 1.0 10.00 0.02 0.02) = 0.094% HA1 GLY 58 - QG1 VAL 47 7.692% * 0.0842% (0.24 1.0 1.00 0.09 0.02) = 0.084% HG3 GLU- 64 - QG1 VAL 47 7.692% * 0.0697% (0.92 1.0 1.00 0.02 0.34) = 0.070% HB3 LYS+ 78 - QG1 VAL 47 7.692% * 0.0691% (0.91 1.0 1.00 0.02 0.02) = 0.069% HG2 GLU- 64 - QG1 VAL 47 7.692% * 0.0558% (0.74 1.0 1.00 0.02 0.34) = 0.056% HB2 ASP- 28 - QG1 VAL 47 7.692% * 0.0558% (0.74 1.0 1.00 0.02 0.02) = 0.056% HG2 PRO 104 - QG1 VAL 47 7.692% * 0.0339% (0.45 1.0 1.00 0.02 0.02) = 0.034% HB VAL 105 - QG1 VAL 47 7.692% * 0.0215% (0.28 1.0 1.00 0.02 0.02) = 0.022% HG2 GLN 102 - QG1 VAL 47 7.692% * 0.0094% (0.12 1.0 1.00 0.02 0.66) = 0.009% 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): 24 chemical-shift based assignments, quality = 0.141, support = 1.8, residual support = 14.1: O T HB VAL 73 - QG2 VAL 73 4.167% * 70.5831% (0.13 10.0 10.00 2.38 19.96) = 70.583% kept T HB VAL 73 - QG2 VAL 62 4.167% * 20.7527% (0.15 1.0 10.00 0.52 0.02) = 20.753% kept HB3 LYS+ 55 - QG2 VAL 62 4.167% * 1.5409% (0.29 1.0 1.00 0.20 0.02) = 1.541% kept HB2 GLU- 75 - QG1 VAL 47 4.167% * 1.5167% (0.28 1.0 1.00 0.21 0.21) = 1.517% kept T HB2 GLU- 75 - QG2 VAL 62 4.167% * 1.2542% (0.24 1.0 10.00 0.02 0.12) = 1.254% kept T HB2 GLU- 75 - QG2 VAL 73 4.167% * 1.1082% (0.21 1.0 10.00 0.02 0.02) = 1.108% kept HB VAL 73 - QG1 VAL 47 4.167% * 0.9660% (0.18 1.0 1.00 0.21 0.02) = 0.966% T HB ILE 29 - QG2 VAL 62 4.167% * 0.2874% (0.05 1.0 10.00 0.02 0.02) = 0.287% T HB ILE 29 - QG2 VAL 73 4.167% * 0.2540% (0.05 1.0 10.00 0.02 0.02) = 0.254% HB VAL 13 - QG1 VAL 47 4.167% * 0.1862% (0.36 1.0 1.00 0.02 0.02) = 0.186% HG3 PRO 31 - QG1 VAL 47 4.167% * 0.1825% (0.35 1.0 1.00 0.02 0.02) = 0.183% HB3 LYS+ 55 - QG1 VAL 47 4.167% * 0.1781% (0.34 1.0 1.00 0.02 0.02) = 0.178% HB VAL 13 - QG2 VAL 62 4.167% * 0.1584% (0.30 1.0 1.00 0.02 0.02) = 0.158% HG3 PRO 31 - QG2 VAL 62 4.167% * 0.1552% (0.30 1.0 1.00 0.02 0.02) = 0.155% HB VAL 13 - QG2 VAL 73 4.167% * 0.1399% (0.27 1.0 1.00 0.02 0.02) = 0.140% HG3 PRO 31 - QG2 VAL 73 4.167% * 0.1372% (0.26 1.0 1.00 0.02 0.02) = 0.137% HB3 LYS+ 55 - QG2 VAL 73 4.167% * 0.1339% (0.26 1.0 1.00 0.02 0.02) = 0.134% HB2 GLU- 10 - QG1 VAL 47 4.167% * 0.0865% (0.17 1.0 1.00 0.02 0.02) = 0.087% HG3 PRO 104 - QG1 VAL 47 4.167% * 0.0793% (0.15 1.0 1.00 0.02 0.02) = 0.079% HB2 GLU- 10 - QG2 VAL 62 4.167% * 0.0736% (0.14 1.0 1.00 0.02 0.02) = 0.074% HG3 PRO 104 - QG2 VAL 62 4.167% * 0.0675% (0.13 1.0 1.00 0.02 0.02) = 0.067% HB2 GLU- 10 - QG2 VAL 73 4.167% * 0.0650% (0.12 1.0 1.00 0.02 0.02) = 0.065% HG3 PRO 104 - QG2 VAL 73 4.167% * 0.0596% (0.11 1.0 1.00 0.02 0.02) = 0.060% HB ILE 29 - QG1 VAL 47 4.167% * 0.0338% (0.06 1.0 1.00 0.02 0.02) = 0.034% 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): 8 chemical-shift based assignments, quality = 0.0486, support = 2.29, residual support = 17.0: T HB THR 61 - QG2 VAL 62 12.500% * 94.0640% (0.05 10.00 2.41 18.05) = 94.064% kept HA LYS+ 60 - QG2 VAL 62 12.500% * 2.1529% (0.02 1.00 0.95 0.40) = 2.153% kept HA2 GLY 26 - QG2 VAL 62 12.500% * 1.3858% (0.06 1.00 0.23 0.02) = 1.386% kept T HB THR 61 - QG2 VAL 73 12.500% * 1.0646% (0.06 10.00 0.02 0.02) = 1.065% kept HA TRP 51 - QG2 VAL 62 12.500% * 0.8034% (0.03 1.00 0.32 0.02) = 0.803% HA TRP 51 - QG2 VAL 73 12.500% * 0.3419% (0.03 1.00 0.12 0.02) = 0.342% HA2 GLY 26 - QG2 VAL 73 12.500% * 0.1362% (0.07 1.00 0.02 0.02) = 0.136% HA LYS+ 60 - QG2 VAL 73 12.500% * 0.0512% (0.03 1.00 0.02 0.02) = 0.051% Peak 3877 (7.07, 0.95, 22.14 ppm): 2 chemical-shift based assignments, quality = 0.188, support = 0.521, residual support = 0.298: QD TYR 83 - QG2 VAL 73 50.000% * 96.4396% (0.19 0.54 0.31) = 96.440% kept QD TYR 83 - QG2 VAL 62 50.000% * 3.5604% (0.19 0.02 0.02) = 3.560% kept Not enough quality. Peak unassigned. Peak 3878 (6.87, 1.32, 21.79 ppm): 3 chemical-shift based assignments, quality = 0.648, support = 1.61, residual support = 6.26: QD PHE 21 - QG2 THR 46 33.333% * 59.3786% (0.79 1.62 6.55) = 59.379% kept HZ PHE 21 - QG2 THR 46 33.333% * 36.1008% (0.44 1.76 6.55) = 36.101% kept HD22 ASN 15 - QG2 THR 46 33.333% * 4.5206% (0.37 0.26 0.02) = 4.521% kept Peak 3879 (3.18, 1.42, 21.49 ppm): 10 chemical-shift based assignments, quality = 0.82, support = 0.98, residual support = 2.16: HB3 PHE 34 - HD3 LYS+ 44 10.000% * 61.6077% (0.88 1.23 3.33) = 61.608% kept HB3 PHE 34 - QG2 THR 38 10.000% * 30.9191% (0.81 0.67 0.34) = 30.919% kept HA1 GLY 58 - QG2 THR 38 10.000% * 4.3278% (0.18 0.42 0.02) = 4.328% kept HD3 ARG+ 84 - HD3 LYS+ 44 10.000% * 1.1174% (0.98 0.02 0.02) = 1.117% kept HD3 ARG+ 84 - QG2 THR 38 10.000% * 1.0315% (0.90 0.02 0.02) = 1.031% kept HD2 ARG+ 53 - HD3 LYS+ 44 10.000% * 0.2493% (0.22 0.02 0.02) = 0.249% HD2 ARG+ 53 - QG2 THR 38 10.000% * 0.2302% (0.20 0.02 0.02) = 0.230% HA1 GLY 58 - HD3 LYS+ 44 10.000% * 0.2255% (0.20 0.02 0.02) = 0.226% HB3 HIS+ 98 - HD3 LYS+ 44 10.000% * 0.1516% (0.13 0.02 0.02) = 0.152% HB3 HIS+ 98 - QG2 THR 38 10.000% * 0.1399% (0.12 0.02 0.02) = 0.140% 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): 20 chemical-shift based assignments, quality = 0.355, support = 0.643, residual support = 0.93: HA ILE 100 - HB3 SER 49 5.000% * 30.9228% (0.36 0.95 2.09) = 30.923% kept HA GLN 102 - HB3 SER 49 5.000% * 26.7821% (0.36 0.82 0.60) = 26.782% kept HA SER 77 - HB3 SER 49 5.000% * 16.5520% (0.62 0.29 0.68) = 16.552% kept HA ILE 100 - HA VAL 87 5.000% * 7.3342% (0.14 0.55 0.02) = 7.334% kept HA GLN 102 - HA VAL 87 5.000% * 7.3342% (0.14 0.55 0.02) = 7.334% kept HA SER 77 - HA VAL 73 5.000% * 1.3037% (0.71 0.02 0.02) = 1.304% kept HA LYS+ 32 - HA VAL 73 5.000% * 1.2666% (0.69 0.02 0.61) = 1.267% kept HA LYS+ 32 - HB3 SER 49 5.000% * 1.1122% (0.61 0.02 0.02) = 1.112% kept HB THR 79 - HA VAL 73 5.000% * 0.8566% (0.47 0.02 0.02) = 0.857% HA SER 77 - HA VAL 105 5.000% * 0.8161% (0.45 0.02 0.02) = 0.816% HA LYS+ 32 - HA VAL 105 5.000% * 0.7929% (0.43 0.02 0.02) = 0.793% HB THR 79 - HB3 SER 49 5.000% * 0.7522% (0.41 0.02 0.02) = 0.752% HA GLN 102 - HA VAL 73 5.000% * 0.7430% (0.41 0.02 0.02) = 0.743% HA ILE 100 - HA VAL 73 5.000% * 0.7430% (0.41 0.02 0.02) = 0.743% HB THR 79 - HA VAL 105 5.000% * 0.5362% (0.29 0.02 0.02) = 0.536% HA GLN 102 - HA VAL 105 5.000% * 0.4651% (0.25 0.02 0.02) = 0.465% HA ILE 100 - HA VAL 105 5.000% * 0.4651% (0.25 0.02 0.02) = 0.465% HA SER 77 - HA VAL 87 5.000% * 0.4648% (0.25 0.02 0.02) = 0.465% HA LYS+ 32 - HA VAL 87 5.000% * 0.4515% (0.25 0.02 0.02) = 0.452% HB THR 79 - HA VAL 87 5.000% * 0.3054% (0.17 0.02 0.02) = 0.305% Peak 3883 (4.18, 4.18, 62.74 ppm): 4 diagonal assignments: 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): 16 chemical-shift based assignments, quality = 0.317, support = 4.67, residual support = 46.4: O HG3 PRO 104 - HA PRO 104 6.250% * 87.2847% (0.33 10.0 1.00 5.27 53.16) = 87.285% kept T HB3 GLU- 75 - HA THR 95 6.250% * 7.5273% (0.09 1.0 10.00 0.64 0.21) = 7.527% kept HB VAL 73 - HA THR 95 6.250% * 1.9541% (0.36 1.0 1.00 0.41 0.02) = 1.954% kept HB2 LYS+ 108 - HA THR 95 6.250% * 1.5263% (0.56 1.0 1.00 0.21 0.02) = 1.526% kept HG3 PRO 104 - HA THR 95 6.250% * 1.0040% (0.40 1.0 1.00 0.19 0.02) = 1.004% kept T HB3 GLU- 75 - HA PRO 104 6.250% * 0.1928% (0.07 1.0 10.00 0.02 0.02) = 0.193% HB2 LYS+ 108 - HA PRO 104 6.250% * 0.1199% (0.46 1.0 1.00 0.02 0.02) = 0.120% HB VAL 73 - HA PRO 104 6.250% * 0.0778% (0.30 1.0 1.00 0.02 0.02) = 0.078% HG2 PRO 86 - HA THR 95 6.250% * 0.0600% (0.23 1.0 1.00 0.02 0.02) = 0.060% HB2 HIS+ 14 - HA THR 95 6.250% * 0.0498% (0.19 1.0 1.00 0.02 0.02) = 0.050% HG2 PRO 86 - HA PRO 104 6.250% * 0.0494% (0.19 1.0 1.00 0.02 0.02) = 0.049% HB2 HIS+ 14 - HA PRO 104 6.250% * 0.0410% (0.16 1.0 1.00 0.02 0.02) = 0.041% HB2 GLU- 18 - HA THR 95 6.250% * 0.0364% (0.14 1.0 1.00 0.02 0.12) = 0.036% HB2 GLU- 18 - HA PRO 104 6.250% * 0.0300% (0.11 1.0 1.00 0.02 0.02) = 0.030% HB VAL 13 - HA THR 95 6.250% * 0.0255% (0.10 1.0 1.00 0.02 0.02) = 0.026% HB VAL 13 - HA PRO 104 6.250% * 0.0211% (0.08 1.0 1.00 0.02 0.02) = 0.021% Peak 3885 (1.84, 4.38, 63.05 ppm): 16 chemical-shift based assignments, quality = 0.275, support = 4.56, residual support = 47.3: O T HB2 PRO 104 - HA PRO 104 6.250% * 85.3579% (0.28 10.0 10.00 5.00 53.16) = 85.358% kept HB VAL 94 - HA THR 95 6.250% * 9.6322% (0.21 1.0 1.00 3.01 20.34) = 9.632% kept T HB2 PRO 59 - HA THR 95 6.250% * 1.6157% (0.53 1.0 10.00 0.02 0.02) = 1.616% kept T HB2 PRO 59 - HA PRO 104 6.250% * 1.3313% (0.43 1.0 10.00 0.02 0.02) = 1.331% kept T HB2 PRO 104 - HA THR 95 6.250% * 1.0360% (0.34 1.0 10.00 0.02 0.02) = 1.036% kept HB2 LYS+ 66 - HA THR 95 6.250% * 0.1648% (0.54 1.0 1.00 0.02 0.35) = 0.165% HB2 LYS+ 66 - HA PRO 104 6.250% * 0.1358% (0.44 1.0 1.00 0.02 0.02) = 0.136% HB3 LYS+ 60 - HA THR 95 6.250% * 0.1173% (0.38 1.0 1.00 0.02 0.02) = 0.117% HB3 LYS+ 72 - HA THR 95 6.250% * 0.1105% (0.36 1.0 1.00 0.02 0.02) = 0.110% HB3 LYS+ 60 - HA PRO 104 6.250% * 0.0967% (0.32 1.0 1.00 0.02 0.02) = 0.097% HB3 LYS+ 72 - HA PRO 104 6.250% * 0.0910% (0.30 1.0 1.00 0.02 0.02) = 0.091% HG3 LYS+ 108 - HA THR 95 6.250% * 0.0831% (0.27 1.0 1.00 0.02 0.02) = 0.083% HG3 LYS+ 108 - HA PRO 104 6.250% * 0.0685% (0.22 1.0 1.00 0.02 0.02) = 0.069% HD3 LYS+ 72 - HA THR 95 6.250% * 0.0583% (0.19 1.0 1.00 0.02 0.02) = 0.058% HB VAL 94 - HA PRO 104 6.250% * 0.0528% (0.17 1.0 1.00 0.02 0.02) = 0.053% HD3 LYS+ 72 - HA PRO 104 6.250% * 0.0480% (0.16 1.0 1.00 0.02 0.02) = 0.048% Peak 3886 (0.10, 1.31, 22.14 ppm): 1 chemical-shift based assignment, quality = 0.128, support = 3.32, residual support = 15.3: QG2 VAL 47 - QG2 THR 46 100.000% *100.0000% (0.13 3.32 15.34) = 100.000% kept Peaks: selected : 1897 with diagonal assignment : 198 without assignment possibility : 427 with one assignment possibility : 67 with multiple assignment possibilities : 1205 with given assignment possibilities : 0 with unique volume contribution : 237 with multiple volume contributions : 1035 eliminated by violation filter : 0 Peaks: selected : 1897 without assignment : 612 with assignment : 1285 with unique assignment : 374 with multiple assignment : 911 with reference assignment : 0 with identical reference assignment : 0 with compatible reference assignment : 0 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 1285 Atoms with eliminated volume contribution > 2.5: QG2 VAL 13 3.5 QD1 LEU 17 2.9 HE3 LYS+ 20 4.1 QD2 LEU 23 3.0 HB3 PRO 31 3.2 HB3 PRO 35 8.7 QG2 VAL 40 2.9 QG2 VAL 47 3.0 HB3 SER 49 7.5 HA1 GLY 58 12.1 HG2 PRO 59 5.1 HG3 LYS+ 60 4.3 HD3 LYS+ 60 4.9 HB3 LYS+ 63 3.3 HE3 LYS+ 63 2.5 QD2 LEU 67 3.1 QD1 ILE 68 3.0 HB3 SER 69 2.5 QG2 VAL 73 3.8 QD1 LEU 74 3.0 HB2 GLU- 75 5.2 HB3 GLU- 75 5.5 HG3 ARG+ 84 3.4 HG3 PRO 86 2.6 HD3 PRO 86 2.9 QG2 VAL 87 4.1 HB3 SER 88 2.6 HB3 ASN 89 3.1 QG1 VAL 99 3.8 QG2 VAL 99 5.1 HB2 PRO 104 2.6 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 3 (4.80, 7.84, 143.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4 (4.79, 7.77, 143.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 5 (4.81, 7.66, 143.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 6 (4.79, 7.41, 143.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 7 (4.80, 7.34, 143.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 8 (4.80, 7.20, 143.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 9 (4.81, 7.15, 143.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 10 (4.81, 7.08, 143.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 11 (4.81, 7.03, 143.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 12 (4.80, 6.94, 143.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 13 (4.80, 6.89, 143.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 14 (4.80, 6.82, 143.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 15 (4.79, 6.75, 143.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 16 (4.80, 6.71, 143.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 17 (4.79, 6.65, 143.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 18 (4.81, 6.61, 143.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 19 (4.81, 6.52, 143.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 20 (4.81, 6.40, 143.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 21 (4.81, 6.32, 143.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 22 (4.81, 6.24, 143.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 23 (4.81, 6.18, 143.47 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 60 (2.99, 7.66, 141.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 61 (2.98, 6.93, 141.61 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 62 (2.98, 6.87, 141.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 63 (2.98, 6.79, 141.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 64 (2.99, 6.68, 141.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 65 (2.98, 6.61, 141.62 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 66 (2.98, 6.53, 141.66 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 67 (2.98, 6.46, 141.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 68 (2.99, 6.40, 141.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 69 (2.98, 6.29, 141.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 70 (2.99, 6.20, 141.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 71 (2.99, 6.08, 141.69 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 = 0.556, support = 1.45, residual support = 3.35: T HA VAL 80 - QD TYR 83 16.667% * 91.9968% (0.55 10.00 1.53 3.52) = 91.997% kept HA VAL 40 - QD TYR 83 16.667% * 4.8295% (0.58 1.00 0.75 2.36) = 4.829% kept HA ILE 48 - QD TYR 83 16.667% * 2.8694% (0.89 1.00 0.29 0.02) = 2.869% kept HA VAL 62 - QD TYR 83 16.667% * 0.2081% (0.95 1.00 0.02 0.02) = 0.208% HD3 PRO 31 - QD TYR 83 16.667% * 0.0590% (0.27 1.00 0.02 0.02) = 0.059% HA1 GLY 71 - QD TYR 83 16.667% * 0.0372% (0.17 1.00 0.02 0.02) = 0.037% Peak 259 (7.68, 7.05, 133.65 ppm): 1 chemical-shift based assignment, quality = 0.717, support = 5.32, residual support = 57.5: * HN TYR 83 - QD TYR 83 100.000% *100.0000% (0.72 5.32 57.49) = 100.000% kept Peak 272 (4.67, 7.06, 133.71 ppm): 3 chemical-shift based assignments, quality = 0.916, support = 3.6, residual support = 49.2: * HA TYR 83 - QD TYR 83 33.333% * 85.5357% (0.93 4.08 57.49) = 85.536% kept HA ASN 89 - QD TYR 83 33.333% * 14.3909% (0.86 0.74 0.11) = 14.391% kept HA GLN 16 - QD TYR 83 33.333% * 0.0734% (0.16 0.02 0.02) = 0.073% Peak 273 (3.35, 7.06, 133.69 ppm): 1 chemical-shift based assignment, quality = 0.945, support = 3.53, residual support = 57.5: O T HB3 TYR 83 - QD TYR 83 100.000% *100.0000% (0.95 10.0 10.00 3.53 57.49) = 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): 5 chemical-shift based assignments, quality = 0.83, support = 2.96, residual support = 35.6: O T HB3 PHE 34 - QD PHE 34 20.000% * 95.0721% (0.86 10.0 10.00 3.10 37.49) = 95.072% kept T HA1 GLY 58 - QD PHE 34 20.000% * 4.7156% (0.22 1.0 10.00 0.39 0.02) = 4.716% kept HD2 ARG+ 53 - QD PHE 34 20.000% * 0.0838% (0.76 1.0 1.00 0.02 0.16) = 0.084% HB3 HIS+ 98 - QD PHE 34 20.000% * 0.0665% (0.60 1.0 1.00 0.02 0.02) = 0.066% HD3 ARG+ 84 - QD PHE 34 20.000% * 0.0621% (0.56 1.0 1.00 0.02 0.12) = 0.062% Peak 288 (2.61, 7.32, 133.37 ppm): 4 chemical-shift based assignments, quality = 0.956, support = 2.79, residual support = 28.7: * O T HB2 PHE 34 - QD PHE 34 25.000% * 76.2356% (0.97 10.0 10.00 3.26 37.49) = 76.236% kept T HA1 GLY 58 - QD PHE 34 25.000% * 14.8745% (0.97 1.0 10.00 0.39 0.02) = 14.875% kept HE2 LYS+ 20 - QD PHE 34 25.000% * 8.8404% (0.81 1.0 1.00 2.77 1.65) = 8.840% kept HB2 ASP- 25 - QD PHE 34 25.000% * 0.0494% (0.63 1.0 1.00 0.02 0.02) = 0.049% Peak 289 (1.57, 7.32, 133.45 ppm): 11 chemical-shift based assignments, quality = 0.75, support = 3.73, residual support = 26.7: T HB ILE 19 - QD PHE 34 9.091% * 52.9919% (0.96 10.00 4.37 34.23) = 52.992% kept T HB3 LYS+ 32 - QD PHE 34 9.091% * 30.2695% (0.55 10.00 3.80 22.26) = 30.269% kept T HD3 LYS+ 32 - QD PHE 34 9.091% * 8.2494% (0.15 10.00 2.94 22.26) = 8.249% kept T HD3 LYS+ 60 - QD PHE 34 9.091% * 6.9234% (0.92 10.00 0.27 0.02) = 6.923% kept HG LEU 17 - QD PHE 34 9.091% * 0.5460% (0.95 1.00 0.21 0.64) = 0.546% QB ALA 42 - QD PHE 34 9.091% * 0.4549% (0.63 1.00 0.26 0.02) = 0.455% T HB3 LEU 90 - QD PHE 34 9.091% * 0.3027% (0.55 10.00 0.02 0.02) = 0.303% HD3 LYS+ 81 - QD PHE 34 9.091% * 0.1854% (0.87 1.00 0.08 0.02) = 0.185% HG12 ILE 29 - QD PHE 34 9.091% * 0.0346% (0.63 1.00 0.02 0.02) = 0.035% HG13 ILE 29 - QD PHE 34 9.091% * 0.0240% (0.43 1.00 0.02 0.02) = 0.024% QG2 THR 24 - QD PHE 34 9.091% * 0.0182% (0.33 1.00 0.02 0.02) = 0.018% Peak 290 (1.41, 7.32, 133.40 ppm): 10 chemical-shift based assignments, quality = 0.769, support = 1.72, residual support = 2.04: HD3 LYS+ 44 - QD PHE 34 10.000% * 50.6841% (0.89 2.45 3.33) = 50.684% kept HD3 LYS+ 20 - QD PHE 34 10.000% * 18.3080% (0.45 1.77 1.65) = 18.308% kept QG2 THR 38 - QD PHE 34 10.000% * 13.8746% (0.72 0.83 0.34) = 13.875% kept HG LEU 67 - QD PHE 34 10.000% * 4.7786% (0.83 0.25 0.02) = 4.779% kept HG13 ILE 100 - QD PHE 34 10.000% * 4.6100% (0.80 0.25 0.02) = 4.610% kept QB ALA 93 - QD PHE 34 10.000% * 4.6037% (0.80 0.25 0.02) = 4.604% kept QB ALA 37 - QD PHE 34 10.000% * 2.3821% (0.96 0.11 0.02) = 2.382% kept QB ALA 91 - QD PHE 34 10.000% * 0.3695% (0.80 0.02 0.02) = 0.369% HG3 LYS+ 55 - QD PHE 34 10.000% * 0.2612% (0.56 0.02 0.02) = 0.261% HG LEU 90 - QD PHE 34 10.000% * 0.1283% (0.28 0.02 0.02) = 0.128% Peak 291 (0.69, 7.32, 133.42 ppm): 8 chemical-shift based assignments, quality = 0.989, support = 3.99, residual support = 19.2: T QD1 ILE 19 - QD PHE 34 12.500% * 46.1509% (1.00 10.00 6.05 34.23) = 46.151% kept T QG2 ILE 48 - QD PHE 34 12.500% * 45.9380% (1.00 10.00 2.11 1.94) = 45.938% kept HG12 ILE 19 - QD PHE 34 12.500% * 7.2320% (0.98 1.00 3.20 34.23) = 7.232% kept QG2 ILE 101 - QD PHE 34 12.500% * 0.5372% (0.88 1.00 0.27 0.02) = 0.537% QG2 VAL 94 - QD PHE 34 12.500% * 0.0457% (0.99 1.00 0.02 0.02) = 0.046% QG2 ILE 68 - QD PHE 34 12.500% * 0.0457% (0.99 1.00 0.02 0.02) = 0.046% QG1 VAL 62 - QD PHE 34 12.500% * 0.0261% (0.57 1.00 0.02 0.02) = 0.026% QG2 THR 96 - QD PHE 34 12.500% * 0.0243% (0.53 1.00 0.02 0.02) = 0.024% Peak 295 (8.92, 6.88, 131.84 ppm): 4 chemical-shift based assignments, quality = 0.26, support = 3.93, residual support = 24.6: * HN PHE 21 - QD PHE 21 25.000% * 68.3276% (0.31 4.30 33.51) = 68.328% kept HN ARG+ 22 - QD PHE 21 25.000% * 29.8994% (0.17 3.32 5.80) = 29.899% kept HN THR 96 - QD PHE 21 25.000% * 0.9490% (0.22 0.08 0.02) = 0.949% HN GLN 102 - QD PHE 21 25.000% * 0.8239% (0.79 0.02 0.02) = 0.824% Peak 297 (7.02, 6.88, 131.81 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 2.69, residual support = 33.5: O T QE PHE 21 - QD PHE 21 100.000% *100.0000% (0.44 10.0 10.00 2.69 33.51) = 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): 3 chemical-shift based assignments, quality = 0.638, support = 2.03, residual support = 31.7: O T HB2 PHE 21 - QD PHE 21 33.333% * 94.1037% (0.65 10.0 10.00 2.06 33.51) = 94.104% kept HA1 GLY 58 - QD PHE 21 33.333% * 5.8751% (0.52 1.0 1.00 1.54 2.52) = 5.875% kept HE3 LYS+ 55 - QD PHE 21 33.333% * 0.0211% (0.15 1.0 1.00 0.02 0.02) = 0.021% Peak 300 (2.76, 6.88, 131.84 ppm): 2 chemical-shift based assignments, quality = 0.791, support = 2.17, residual support = 6.09: HE3 LYS+ 20 - QD PHE 21 50.000% * 56.2464% (0.69 2.67 8.87) = 56.246% kept HA1 GLY 58 - QD PHE 21 50.000% * 43.7536% (0.93 1.54 2.52) = 43.754% kept Peak 301 (1.94, 6.89, 131.81 ppm): 10 chemical-shift based assignments, quality = 0.631, support = 3.28, residual support = 13.2: T HB ILE 29 - QD PHE 21 10.000% * 58.5008% (0.72 10.00 4.41 21.88) = 58.501% kept T HB2 LEU 23 - QD PHE 21 10.000% * 38.5483% (0.52 10.00 1.82 0.94) = 38.548% kept HB2 GLU- 75 - QD PHE 21 10.000% * 1.1989% (0.93 1.00 0.31 0.02) = 1.199% kept HB3 LYS+ 55 - QD PHE 21 10.000% * 0.9399% (0.79 1.00 0.29 0.02) = 0.940% HG3 PRO 31 - QD PHE 21 10.000% * 0.6259% (0.75 1.00 0.20 0.02) = 0.626% HB2 GLU- 10 - QD PHE 21 10.000% * 0.0790% (0.97 1.00 0.02 0.02) = 0.079% HB3 GLU- 56 - QD PHE 21 10.000% * 0.0392% (0.48 1.00 0.02 0.02) = 0.039% HB VAL 13 - QD PHE 21 10.000% * 0.0331% (0.41 1.00 0.02 0.02) = 0.033% HD3 LYS+ 63 - QD PHE 21 10.000% * 0.0224% (0.27 1.00 0.02 0.02) = 0.022% HB3 GLN 102 - QD PHE 21 10.000% * 0.0124% (0.15 1.00 0.02 0.02) = 0.012% Peak 302 (1.66, 6.88, 131.76 ppm): 8 chemical-shift based assignments, quality = 0.663, support = 1.55, residual support = 3.9: HB3 ARG+ 22 - QD PHE 21 12.500% * 58.3673% (0.64 2.26 5.80) = 58.367% kept HB3 LYS+ 66 - QD PHE 21 12.500% * 22.1991% (0.93 0.59 0.02) = 22.199% kept HG13 ILE 19 - QD PHE 21 12.500% * 8.6650% (0.26 0.83 5.62) = 8.665% kept HG3 ARG+ 84 - QD PHE 21 12.500% * 8.4591% (0.74 0.28 0.28) = 8.459% kept HB ILE 100 - QD PHE 21 12.500% * 0.7440% (0.92 0.02 0.02) = 0.744% HB3 MET 97 - QD PHE 21 12.500% * 0.7101% (0.88 0.02 1.37) = 0.710% HB3 LYS+ 81 - QD PHE 21 12.500% * 0.5737% (0.71 0.02 0.02) = 0.574% HD3 LYS+ 55 - QD PHE 21 12.500% * 0.2817% (0.35 0.02 0.02) = 0.282% Peak 303 (0.94, 6.88, 131.84 ppm): 10 chemical-shift based assignments, quality = 0.848, support = 1.34, residual support = 7.31: QG2 ILE 29 - QD PHE 21 10.000% * 31.9232% (0.84 2.43 21.88) = 31.923% kept QG1 VAL 105 - QD PHE 21 10.000% * 15.8147% (0.97 1.04 0.42) = 15.815% kept HB2 ARG+ 84 - QD PHE 21 10.000% * 13.2865% (0.90 0.94 0.28) = 13.287% kept HG12 ILE 68 - QD PHE 21 10.000% * 11.0759% (0.69 1.03 0.47) = 11.076% kept QG2 VAL 105 - QD PHE 21 10.000% * 9.7578% (0.92 0.67 0.42) = 9.758% kept QG2 VAL 62 - QD PHE 21 10.000% * 7.9977% (0.95 0.54 0.10) = 7.998% kept QG2 VAL 99 - QD PHE 21 10.000% * 5.2849% (0.45 0.75 2.20) = 5.285% kept QD1 LEU 17 - QD PHE 21 10.000% * 3.5743% (0.95 0.24 0.02) = 3.574% kept QG2 VAL 73 - QD PHE 21 10.000% * 1.1320% (0.87 0.08 0.02) = 1.132% kept QG2 VAL 80 - QD PHE 21 10.000% * 0.1530% (0.49 0.02 0.02) = 0.153% Peak 306 (7.33, 7.33, 131.44 ppm): 1 diagonal assignment: * QE PHE 34 - QE PHE 34 (1.00) kept Peak 313 (1.58, 7.34, 131.42 ppm): 9 chemical-shift based assignments, quality = 0.71, support = 3.9, residual support = 25.1: T HB3 LYS+ 32 - QE PHE 34 11.111% * 42.8598% (0.90 10.00 4.31 22.26) = 42.860% kept T HB ILE 19 - QE PHE 34 11.111% * 31.1226% (0.65 10.00 4.07 34.23) = 31.123% kept T HD3 LYS+ 32 - QE PHE 34 11.111% * 22.0539% (0.46 10.00 3.52 22.26) = 22.054% kept T HD3 LYS+ 60 - QE PHE 34 11.111% * 3.5115% (0.54 10.00 0.27 0.02) = 3.511% kept QB ALA 42 - QE PHE 34 11.111% * 0.1536% (0.24 1.00 0.27 0.02) = 0.154% HG LEU 17 - QE PHE 34 11.111% * 0.1124% (0.62 1.00 0.08 0.64) = 0.112% T HB3 LEU 90 - QE PHE 34 11.111% * 0.0897% (0.19 10.00 0.02 0.02) = 0.090% HD3 LYS+ 81 - QE PHE 34 11.111% * 0.0853% (0.46 1.00 0.08 0.02) = 0.085% HG12 ILE 29 - QE PHE 34 11.111% * 0.0113% (0.24 1.00 0.02 0.02) = 0.011% Peak 314 (1.40, 7.35, 131.45 ppm): 11 chemical-shift based assignments, quality = 0.594, support = 1.98, residual support = 1.82: HD3 LYS+ 20 - QE PHE 34 9.091% * 56.5690% (0.78 2.13 1.65) = 56.569% kept HD3 LYS+ 44 - QE PHE 34 9.091% * 26.0231% (0.28 2.77 3.33) = 26.023% kept HG13 ILE 100 - QE PHE 34 9.091% * 6.3786% (0.76 0.24 0.02) = 6.379% kept QG2 THR 38 - QE PHE 34 9.091% * 3.9822% (0.16 0.73 0.34) = 3.982% kept QG2 THR 39 - QE PHE 34 9.091% * 2.7117% (0.33 0.24 0.02) = 2.712% kept QB ALA 37 - QE PHE 34 9.091% * 1.7181% (0.62 0.08 0.02) = 1.718% kept HG13 ILE 68 - QE PHE 34 9.091% * 1.3116% (0.49 0.08 0.02) = 1.312% kept QB ALA 93 - QE PHE 34 9.091% * 0.5217% (0.76 0.02 0.02) = 0.522% HG LEU 67 - QE PHE 34 9.091% * 0.5091% (0.75 0.02 0.02) = 0.509% HG2 LYS+ 78 - QE PHE 34 9.091% * 0.1375% (0.20 0.02 0.02) = 0.138% QB ALA 91 - QE PHE 34 9.091% * 0.1375% (0.20 0.02 0.02) = 0.138% Peak 318 (0.69, 7.34, 131.43 ppm): 9 chemical-shift based assignments, quality = 0.881, support = 3.78, residual support = 21.8: T QD1 ILE 19 - QE PHE 34 11.111% * 53.0822% (0.89 10.00 5.60 34.23) = 53.082% kept T QG2 ILE 48 - QE PHE 34 11.111% * 37.2180% (0.91 10.00 1.37 1.94) = 37.218% kept HG12 ILE 19 - QE PHE 34 11.111% * 8.5370% (0.83 1.00 3.46 34.23) = 8.537% kept QG2 ILE 101 - QE PHE 34 11.111% * 0.6909% (0.87 1.00 0.27 0.02) = 0.691% QG2 VAL 94 - QE PHE 34 11.111% * 0.2001% (0.85 1.00 0.08 0.02) = 0.200% QG2 ILE 68 - QE PHE 34 11.111% * 0.1991% (0.85 1.00 0.08 0.02) = 0.199% QG2 THR 96 - QE PHE 34 11.111% * 0.0378% (0.63 1.00 0.02 0.02) = 0.038% QG1 VAL 62 - QE PHE 34 11.111% * 0.0226% (0.38 1.00 0.02 0.02) = 0.023% HG LEU 74 - QE PHE 34 11.111% * 0.0122% (0.21 1.00 0.02 0.02) = 0.012% Peak 320 (7.34, 7.04, 130.49 ppm): 7 chemical-shift based assignments, quality = 0.502, support = 0.852, residual support = 3.01: HZ PHE 34 - QE PHE 21 14.286% * 37.9981% (0.71 0.76 0.21) = 37.998% kept HN VAL 47 - QE PHE 21 14.286% * 27.7276% (0.26 1.50 10.30) = 27.728% kept QD PHE 34 - QE PHE 21 14.286% * 14.8619% (0.32 0.66 0.21) = 14.862% kept QE PHE 34 - QE PHE 21 14.286% * 13.3869% (0.71 0.27 0.21) = 13.387% kept HN ARG+ 84 - QE PHE 21 14.286% * 4.6553% (0.24 0.28 0.28) = 4.655% kept HZ2 TRP 51 - QE PHE 21 14.286% * 1.0005% (0.71 0.02 0.02) = 1.000% kept HE22 GLN 102 - QE PHE 21 14.286% * 0.3697% (0.26 0.02 0.02) = 0.370% 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): 13 chemical-shift based assignments, quality = 0.68, support = 1.24, residual support = 2.9: HG12 ILE 68 - QE PHE 21 7.692% * 19.1733% (0.97 1.01 0.47) = 19.173% kept QG2 VAL 105 - QE PHE 21 7.692% * 18.5494% (0.82 1.16 0.42) = 18.549% kept HB2 ARG+ 84 - QE PHE 21 7.692% * 17.7506% (0.85 1.06 0.28) = 17.751% kept QD1 LEU 67 - QE PHE 21 7.692% * 17.0747% (0.37 2.37 2.94) = 17.075% kept QG1 VAL 47 - QE PHE 21 7.692% * 8.4985% (0.30 1.43 10.30) = 8.498% kept QG1 VAL 105 - QE PHE 21 7.692% * 7.6492% (0.75 0.52 0.42) = 7.649% kept QG2 ILE 29 - QE PHE 21 7.692% * 5.8052% (0.27 1.09 21.88) = 5.805% kept QD1 LEU 17 - QE PHE 21 7.692% * 2.7114% (0.78 0.18 0.02) = 2.711% kept QG2 VAL 62 - QE PHE 21 7.692% * 2.1006% (0.40 0.27 0.10) = 2.101% kept QG2 VAL 80 - QE PHE 21 7.692% * 0.3768% (0.96 0.02 0.02) = 0.377% QG2 VAL 73 - QE PHE 21 7.692% * 0.1186% (0.30 0.02 0.02) = 0.119% QG2 VAL 40 - QE PHE 21 7.692% * 0.0958% (0.24 0.02 0.02) = 0.096% QG2 VAL 87 - QE PHE 21 7.692% * 0.0958% (0.24 0.02 0.02) = 0.096% Peak 323 (6.89, 7.04, 130.37 ppm): 2 chemical-shift based assignments, quality = 0.974, support = 2.69, residual support = 33.5: O QD PHE 21 - QE PHE 21 50.000% * 99.9158% (0.97 10.0 2.69 33.51) = 99.916% kept HD22 ASN 15 - QE PHE 21 50.000% * 0.0842% (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): 7 chemical-shift based assignments, quality = 0.777, support = 3.8, residual support = 23.8: T HB3 LYS+ 32 - HZ PHE 34 14.286% * 44.3149% (0.93 10.00 4.43 22.26) = 44.315% kept T HD3 LYS+ 32 - HZ PHE 34 14.286% * 38.3547% (0.81 10.00 3.71 22.26) = 38.355% kept T HB ILE 19 - HZ PHE 34 14.286% * 15.6633% (0.33 10.00 2.66 34.23) = 15.663% kept T HD3 LYS+ 60 - HZ PHE 34 14.286% * 1.5674% (0.24 10.00 0.27 0.02) = 1.567% kept HG LEU 17 - HZ PHE 34 14.286% * 0.0544% (0.30 1.00 0.08 0.64) = 0.054% HD3 LYS+ 81 - HZ PHE 34 14.286% * 0.0351% (0.19 1.00 0.08 0.02) = 0.035% HG3 LYS+ 78 - HZ PHE 34 14.286% * 0.0102% (0.21 1.00 0.02 0.02) = 0.010% Peak 333 (1.32, 7.33, 128.67 ppm): 3 chemical-shift based assignments, quality = 0.914, support = 1.98, residual support = 5.15: T QG2 THR 46 - HZ PHE 34 33.333% * 99.4522% (0.92 10.00 1.99 5.18) = 99.452% kept QB ALA 103 - HZ PHE 34 33.333% * 0.5273% (0.39 1.00 0.25 0.02) = 0.527% HB2 LYS+ 55 - HZ PHE 34 33.333% * 0.0205% (0.19 1.00 0.02 0.02) = 0.021% Peak 334 (9.49, 7.15, 128.31 ppm): 3 chemical-shift based assignments, quality = 0.864, support = 1.63, residual support = 79.8: * O HE1 TRP 51 - HD1 TRP 51 33.333% * 99.8358% (0.87 10.0 1.64 79.96) = 99.836% kept HN ALA 70 - HD1 TRP 51 33.333% * 0.1395% (0.99 1.0 0.02 0.02) = 0.140% HN HIS+ 98 - HD1 TRP 51 33.333% * 0.0247% (0.17 1.0 0.02 0.02) = 0.025% 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): 3 chemical-shift based assignments, quality = 0.44, support = 2.96, residual support = 75.2: O HB3 TRP 51 - HD1 TRP 51 33.333% * 93.7829% (0.44 10.0 3.10 79.96) = 93.783% kept HA1 GLY 58 - HD1 TRP 51 33.333% * 4.9009% (0.40 1.0 1.13 4.39) = 4.901% kept HB3 HIS+ 14 - HD1 TRP 51 33.333% * 1.3162% (0.75 1.0 0.16 0.02) = 1.316% kept Peak 342 (1.79, 7.15, 128.34 ppm): 8 chemical-shift based assignments, quality = 0.822, support = 0.482, residual support = 0.461: HG3 ARG+ 53 - HD1 TRP 51 12.500% * 40.8268% (0.92 0.57 0.02) = 40.827% kept HB3 GLU- 18 - HD1 TRP 51 12.500% * 27.1630% (0.68 0.51 0.95) = 27.163% kept HB3 LYS+ 63 - HD1 TRP 51 12.500% * 26.6640% (0.83 0.41 0.67) = 26.664% kept HG2 PRO 31 - HD1 TRP 51 12.500% * 1.5473% (0.99 0.02 0.40) = 1.547% kept HG3 LYS+ 63 - HD1 TRP 51 12.500% * 1.5370% (0.98 0.02 0.67) = 1.537% kept HB3 LYS+ 108 - HD1 TRP 51 12.500% * 1.2952% (0.83 0.02 0.02) = 1.295% kept HB3 ARG+ 84 - HD1 TRP 51 12.500% * 0.6952% (0.45 0.02 0.02) = 0.695% HD3 LYS+ 72 - HD1 TRP 51 12.500% * 0.2716% (0.17 0.02 0.02) = 0.272% Not enough total support, support cutoff is 0.60 Peak unassigned. 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 = 1.61, residual support = 79.6: * O HZ2 TRP 51 - HH2 TRP 51 16.667% * 99.5392% (0.99 10.0 1.62 79.96) = 99.539% kept HZ PHE 34 - HH2 TRP 51 16.667% * 0.1227% (0.99 1.0 0.02 0.02) = 0.123% QE PHE 34 - HH2 TRP 51 16.667% * 0.1227% (0.99 1.0 0.02 0.02) = 0.123% QD PHE 34 - HH2 TRP 51 16.667% * 0.0801% (0.64 1.0 0.02 0.02) = 0.080% HN VAL 47 - HH2 TRP 51 16.667% * 0.0701% (0.56 1.0 0.02 2.08) = 0.070% HN ARG+ 84 - HH2 TRP 51 16.667% * 0.0652% (0.52 1.0 0.02 0.02) = 0.065% Peak 351 (6.74, 7.20, 125.26 ppm): 2 chemical-shift based assignments, quality = 0.991, support = 2.15, residual support = 79.9: * O HZ3 TRP 51 - HH2 TRP 51 50.000% * 99.9200% (0.99 10.0 2.15 79.96) = 99.920% kept QE TYR 83 - HH2 TRP 51 50.000% * 0.0800% (0.79 1.0 0.02 0.02) = 0.080% Peak 352 (0.58, 7.19, 125.29 ppm): 3 chemical-shift based assignments, quality = 0.735, support = 3.86, residual support = 26.4: T QD1 LEU 23 - HH2 TRP 51 33.333% * 76.8435% (0.88 10.00 4.36 33.19) = 76.843% kept T QD1 ILE 101 - HH2 TRP 51 33.333% * 23.1448% (0.26 10.00 2.19 3.70) = 23.145% kept QG2 ILE 48 - HH2 TRP 51 33.333% * 0.0117% (0.13 1.00 0.02 0.02) = 0.012% 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 354 (7.21, 7.20, 125.10 ppm): 2 diagonal assignments: HH2 TRP 51 - HH2 TRP 51 (0.69) kept HN TRP 51 - HN TRP 51 (0.25) kept Peak 355 (7.47, 7.21, 124.95 ppm): 2 chemical-shift based assignments, quality = 0.142, support = 3.23, residual support = 80.0: O HE3 TRP 51 - HH2 TRP 51 50.000% * 66.9942% (0.09 10.0 3.01 79.96) = 66.994% kept HE3 TRP 51 - HN TRP 51 50.000% * 33.0058% (0.25 1.0 3.66 79.96) = 33.006% kept 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 = 0.251, support = 0.502, residual support = 0.59: HE22 GLN 102 - HN VAL 47 50.000% * 77.5809% (0.31 0.42 0.66) = 77.581% kept HN GLU- 64 - HN VAL 47 50.000% * 22.4191% (0.05 0.77 0.34) = 22.419% kept Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 362 (7.37, 7.28, 122.66 ppm): 2 chemical-shift based assignments, quality = 0.027, support = 0.521, residual support = 0.572: HE22 GLN 102 - HN VAL 47 50.000% * 72.0727% (0.03 0.42 0.66) = 72.073% kept HN GLU- 64 - HN VAL 47 50.000% * 27.9273% (0.01 0.77 0.34) = 27.927% 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 365 (7.51, 6.72, 122.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 366 (7.20, 6.72, 122.15 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 369 (1.01, 6.72, 122.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 370 (0.89, 6.73, 122.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 371 (0.57, 6.72, 122.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 = 0.36, support = 2.73, residual support = 79.8: O HZ3 TRP 51 - HE3 TRP 51 50.000% * 99.7968% (0.36 10.0 2.73 79.96) = 99.797% kept QE TYR 83 - HE3 TRP 51 50.000% * 0.2032% (0.74 1.0 0.02 0.02) = 0.203% Peak 380 (0.89, 7.49, 120.17 ppm): 8 chemical-shift based assignments, quality = 0.84, support = 0.519, residual support = 1.18: QG1 VAL 47 - HE3 TRP 51 12.500% * 47.8714% (0.82 0.69 2.08) = 47.871% kept QG2 VAL 40 - HE3 TRP 51 12.500% * 35.3896% (0.88 0.47 0.51) = 35.390% kept QG2 VAL 87 - HE3 TRP 51 12.500% * 12.9303% (0.88 0.17 0.02) = 12.930% kept QG1 VAL 80 - HE3 TRP 51 12.500% * 1.6538% (0.97 0.02 0.02) = 1.654% kept QD1 LEU 67 - HE3 TRP 51 12.500% * 1.2751% (0.75 0.02 0.02) = 1.275% kept QG2 ILE 100 - HE3 TRP 51 12.500% * 0.3302% (0.19 0.02 0.02) = 0.330% QD1 LEU 90 - HE3 TRP 51 12.500% * 0.2922% (0.17 0.02 0.02) = 0.292% QG2 VAL 80 - HE3 TRP 51 12.500% * 0.2574% (0.15 0.02 0.02) = 0.257% 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): 13 chemical-shift based assignments, quality = 0.667, support = 1.3, residual support = 8.62: HB2 ASP- 82 - QE TYR 83 7.692% * 44.0755% (0.86 1.97 18.62) = 44.075% kept HB3 LYS+ 78 - QE TYR 83 7.692% * 10.7235% (0.33 1.26 1.91) = 10.723% kept HG2 GLU- 64 - QE TYR 83 7.692% * 10.6269% (0.92 0.44 0.02) = 10.627% kept HB VAL 47 - QE TYR 83 7.692% * 9.1053% (0.47 0.75 0.53) = 9.105% kept HA1 GLY 58 - QE TYR 83 7.692% * 8.9629% (0.29 1.21 1.57) = 8.963% kept HB3 GLU- 75 - QE TYR 83 7.692% * 8.4798% (0.41 0.80 0.02) = 8.480% kept HG2 GLN 102 - QE TYR 83 7.692% * 2.9609% (0.89 0.13 0.02) = 2.961% kept HG3 GLU- 64 - QE TYR 83 7.692% * 1.9044% (0.91 0.08 0.02) = 1.904% kept HB3 PRO 35 - QE TYR 83 7.692% * 1.6142% (0.57 0.11 0.56) = 1.614% kept HG2 PRO 104 - QE TYR 83 7.692% * 0.4605% (0.89 0.02 0.02) = 0.460% HG2 GLN 16 - QE TYR 83 7.692% * 0.3812% (0.73 0.02 0.02) = 0.381% HB3 PRO 104 - QE TYR 83 7.692% * 0.3622% (0.70 0.02 0.02) = 0.362% HB VAL 99 - QE TYR 83 7.692% * 0.3427% (0.66 0.02 0.02) = 0.343% Peak 475 (7.06, 6.73, 118.61 ppm): 2 chemical-shift based assignments, quality = 0.866, support = 2.17, residual support = 57.5: * O T QD TYR 83 - QE TYR 83 50.000% * 99.9620% (0.87 10.0 10.00 2.17 57.49) = 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): 6 chemical-shift based assignments, quality = 0.824, support = 0.775, residual support = 1.8: T HB2 LYS+ 78 - QE TYR 83 16.667% * 85.2520% (0.85 10.00 0.75 1.91) = 85.252% kept HA1 GLY 58 - QE TYR 83 16.667% * 10.5852% (0.65 1.00 1.21 1.57) = 10.585% kept HB3 ASP- 28 - QE TYR 83 16.667% * 2.8661% (0.92 1.00 0.23 0.02) = 2.866% kept HB3 PRO 35 - QE TYR 83 16.667% * 1.1040% (0.76 1.00 0.11 0.56) = 1.104% kept HB3 GLU- 50 - QE TYR 83 16.667% * 0.1593% (0.59 1.00 0.02 0.02) = 0.159% HG3 GLU- 50 - QE TYR 83 16.667% * 0.0333% (0.12 1.00 0.02 0.02) = 0.033% Peak 480 (0.90, 6.73, 118.58 ppm): 7 chemical-shift based assignments, quality = 0.907, support = 0.637, residual support = 1.55: QG2 VAL 40 - QE TYR 83 14.286% * 25.3466% (0.94 0.75 2.36) = 25.347% kept QD1 LEU 67 - QE TYR 83 14.286% * 24.4612% (0.91 0.75 1.62) = 24.461% kept QG1 VAL 47 - QE TYR 83 14.286% * 19.5638% (0.93 0.58 0.53) = 19.564% kept QG2 VAL 87 - QE TYR 83 14.286% * 18.0477% (0.94 0.53 0.14) = 18.048% kept QG1 VAL 80 - QE TYR 83 14.286% * 12.2165% (0.78 0.43 3.52) = 12.216% kept QG2 VAL 80 - QE TYR 83 14.286% * 0.2306% (0.32 0.02 3.52) = 0.231% HG12 ILE 68 - QE TYR 83 14.286% * 0.1338% (0.19 0.02 0.02) = 0.134% 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 = 0.949, support = 1.85, residual support = 79.9: * O HH2 TRP 51 - HZ2 TRP 51 25.000% * 85.0667% (0.96 10.0 1.62 79.96) = 85.067% kept HN TRP 51 - HZ2 TRP 51 25.000% * 14.9060% (0.87 1.0 3.16 79.96) = 14.906% kept HH2 TRP 51 - HN ILE 48 25.000% * 0.0144% (0.13 1.0 0.02 0.02) = 0.014% HN TRP 51 - HN ILE 48 25.000% * 0.0130% (0.12 1.0 0.02 0.02) = 0.013% 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 = 0.02, residual support = 0.02: HA ILE 68 - QD PHE 34 100.000% *100.0000% (0.17 0.02 0.02) = 100.000% kept Reference assignment not found: HA PHE 34 - QD PHE 34 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 518 (7.04, 6.85, 129.44 ppm): 2 chemical-shift based assignments, quality = 0.97, support = 0.999, residual support = 33.5: * O QE PHE 21 - HZ PHE 21 50.000% * 99.8939% (0.97 10.0 1.00 33.51) = 99.894% kept QD TYR 83 - HZ PHE 21 50.000% * 0.1061% (0.52 1.0 0.02 0.02) = 0.106% Peak 519 (6.74, 7.05, 133.60 ppm): 2 chemical-shift based assignments, quality = 0.809, support = 2.16, residual support = 57.4: * O QE TYR 83 - QD TYR 83 50.000% * 99.8807% (0.81 10.0 2.17 57.49) = 99.881% kept HZ3 TRP 51 - QD TYR 83 50.000% * 0.1193% (0.97 1.0 0.02 0.02) = 0.119% Peak 522 (2.98, 7.08, 133.60 ppm): 3 chemical-shift based assignments, quality = 0.248, support = 1.21, residual support = 1.09: HA1 GLY 58 - QD TYR 83 33.333% * 66.5006% (0.20 1.65 1.57) = 66.501% kept HE3 LYS+ 55 - QD TYR 83 33.333% * 26.9832% (0.33 0.41 0.16) = 26.983% kept HB2 PHE 21 - QD TYR 83 33.333% * 6.5162% (0.35 0.09 0.02) = 6.516% kept Peak 523 (3.86, 7.32, 133.43 ppm): 7 chemical-shift based assignments, quality = 0.568, support = 0.96, residual support = 0.648: HD3 PRO 35 - QD PHE 34 14.286% * 50.7571% (0.37 1.42 1.09) = 50.757% kept HA GLU- 45 - QD PHE 34 14.286% * 41.6442% (0.75 0.57 0.22) = 41.644% kept HB3 SER 88 - QD PHE 34 14.286% * 1.8892% (0.98 0.02 0.02) = 1.889% kept HB2 SER 85 - QD PHE 34 14.286% * 1.8684% (0.97 0.02 0.02) = 1.868% kept HB3 SER 77 - QD PHE 34 14.286% * 1.8395% (0.95 0.02 0.02) = 1.840% kept HB3 SER 27 - QD PHE 34 14.286% * 1.5263% (0.79 0.02 0.02) = 1.526% kept HD2 PRO 86 - QD PHE 34 14.286% * 0.4753% (0.25 0.02 0.02) = 0.475% Peak 524 (8.75, 7.32, 133.43 ppm): 4 chemical-shift based assignments, quality = 0.64, support = 3.3, residual support = 34.7: * HN PHE 34 - QD PHE 34 25.000% * 92.4849% (0.64 3.56 37.49) = 92.485% kept HN GLU- 56 - QD PHE 34 25.000% * 4.4700% (0.72 0.15 0.02) = 4.470% kept HN ILE 101 - QD PHE 34 25.000% * 2.3740% (0.75 0.08 0.02) = 2.374% kept HN VAL 62 - QD PHE 34 25.000% * 0.6711% (0.82 0.02 0.02) = 0.671% Peak 525 (3.69, 7.15, 128.34 ppm): 4 chemical-shift based assignments, quality = 0.77, support = 3.14, residual support = 71.2: O HB2 TRP 51 - HD1 TRP 51 25.000% * 88.8499% (0.75 10.0 3.30 79.96) = 88.850% kept HD2 PRO 52 - HD1 TRP 51 25.000% * 11.0224% (0.97 1.0 1.91 1.08) = 11.022% kept HA LYS+ 81 - HD1 TRP 51 25.000% * 0.0799% (0.67 1.0 0.02 0.02) = 0.080% HB3 SER 69 - HD1 TRP 51 25.000% * 0.0478% (0.40 1.0 0.02 0.02) = 0.048% Peak 526 (9.50, 7.33, 114.77 ppm): 4 chemical-shift based assignments, quality = 0.977, support = 1.47, residual support = 79.8: * O HE1 TRP 51 - HZ2 TRP 51 25.000% * 99.8399% (0.98 10.0 1.48 79.96) = 99.840% kept HN ALA 70 - HZ2 TRP 51 25.000% * 0.1238% (0.90 1.0 0.02 0.02) = 0.124% HE1 TRP 51 - HN ILE 48 25.000% * 0.0189% (0.14 1.0 0.02 0.02) = 0.019% HN ALA 70 - HN ILE 48 25.000% * 0.0173% (0.13 1.0 0.02 0.02) = 0.017% Peak 527 (1.96, 7.33, 114.77 ppm): 14 chemical-shift based assignments, quality = 0.536, support = 0.44, residual support = 0.51: HG3 PRO 31 - HZ2 TRP 51 7.143% * 74.9568% (0.53 0.57 0.40) = 74.957% kept HB VAL 73 - HZ2 TRP 51 7.143% * 4.6093% (0.92 0.02 0.02) = 4.609% kept HG3 PRO 104 - HZ2 TRP 51 7.143% * 4.3312% (0.87 0.02 0.02) = 4.331% kept HB VAL 13 - HZ2 TRP 51 7.143% * 4.3312% (0.87 0.02 3.30) = 4.331% kept HB2 GLU- 75 - HN ILE 48 7.143% * 3.1010% (0.04 0.29 1.96) = 3.101% kept HB3 LYS+ 55 - HZ2 TRP 51 7.143% * 2.4304% (0.49 0.02 0.02) = 2.430% kept HB2 LYS+ 108 - HZ2 TRP 51 7.143% * 1.8740% (0.37 0.02 0.02) = 1.874% kept HB2 GLU- 75 - HZ2 TRP 51 7.143% * 1.5411% (0.31 0.02 0.02) = 1.541% kept HB VAL 73 - HN ILE 48 7.143% * 0.6445% (0.13 0.02 0.02) = 0.645% HB VAL 13 - HN ILE 48 7.143% * 0.6056% (0.12 0.02 0.02) = 0.606% HG3 PRO 104 - HN ILE 48 7.143% * 0.6056% (0.12 0.02 0.02) = 0.606% HG3 PRO 31 - HN ILE 48 7.143% * 0.3673% (0.07 0.02 0.02) = 0.367% HB3 LYS+ 55 - HN ILE 48 7.143% * 0.3398% (0.07 0.02 0.02) = 0.340% HB2 LYS+ 108 - HN ILE 48 7.143% * 0.2620% (0.05 0.02 0.02) = 0.262% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 528 (0.58, 7.33, 114.77 ppm): 4 chemical-shift based assignments, quality = 0.703, support = 2.55, residual support = 26.4: QD1 LEU 23 - HZ2 TRP 51 25.000% * 77.2415% (0.80 2.87 33.19) = 77.241% kept QD1 ILE 101 - HZ2 TRP 51 25.000% * 20.5716% (0.41 1.49 3.70) = 20.572% kept QD1 ILE 101 - HN ILE 48 25.000% * 2.1117% (0.06 1.09 0.20) = 2.112% kept QD1 LEU 23 - HN ILE 48 25.000% * 0.0752% (0.11 0.02 0.02) = 0.075% Peak 529 (4.39, 7.15, 128.34 ppm): 13 chemical-shift based assignments, quality = 0.511, support = 3.04, residual support = 73.9: * HA TRP 51 - HD1 TRP 51 7.692% * 92.3898% (0.55 3.29 79.96) = 92.390% kept HA SER 88 - HD1 TRP 51 7.692% * 0.9824% (0.97 0.02 0.02) = 0.982% HA ALA 91 - HD1 TRP 51 7.692% * 0.9376% (0.92 0.02 0.02) = 0.938% HA ASN 57 - HD1 TRP 51 7.692% * 0.8598% (0.85 0.02 0.02) = 0.860% HA THR 95 - HD1 TRP 51 7.692% * 0.8279% (0.82 0.02 0.02) = 0.828% HA SER 27 - HD1 TRP 51 7.692% * 0.7575% (0.75 0.02 0.02) = 0.757% HA ALA 37 - HD1 TRP 51 7.692% * 0.7197% (0.71 0.02 0.02) = 0.720% HA PRO 104 - HD1 TRP 51 7.692% * 0.7197% (0.71 0.02 0.02) = 0.720% HA LYS+ 60 - HD1 TRP 51 7.692% * 0.6012% (0.59 0.02 0.02) = 0.601% HA PRO 86 - HD1 TRP 51 7.692% * 0.3720% (0.37 0.02 0.02) = 0.372% HB THR 61 - HD1 TRP 51 7.692% * 0.3381% (0.33 0.02 0.02) = 0.338% HA2 GLY 26 - HD1 TRP 51 7.692% * 0.2472% (0.24 0.02 0.02) = 0.247% HA HIS+ 14 - HD1 TRP 51 7.692% * 0.2472% (0.24 0.02 0.02) = 0.247% Peak 530 (3.04, 7.49, 120.17 ppm): 3 chemical-shift based assignments, quality = 0.518, support = 3.12, residual support = 73.1: O T HB3 TRP 51 - HE3 TRP 51 33.333% * 91.2109% (0.51 10.0 10.00 3.33 79.96) = 91.211% kept HB3 HIS+ 14 - HE3 TRP 51 33.333% * 5.1297% (0.67 1.0 1.00 0.86 0.02) = 5.130% kept HA1 GLY 58 - HE3 TRP 51 33.333% * 3.6594% (0.40 1.0 1.00 1.03 4.39) = 3.659% kept Peak 531 (3.69, 7.49, 120.17 ppm): 4 chemical-shift based assignments, quality = 0.773, support = 3.4, residual support = 70.5: O HB2 TRP 51 - HE3 TRP 51 25.000% * 88.0317% (0.75 10.0 3.59 79.96) = 88.032% kept HD2 PRO 52 - HE3 TRP 51 25.000% * 11.8418% (0.97 1.0 2.07 1.08) = 11.842% kept HA LYS+ 81 - HE3 TRP 51 25.000% * 0.0791% (0.67 1.0 0.02 0.02) = 0.079% HB3 SER 69 - HE3 TRP 51 25.000% * 0.0474% (0.40 1.0 0.02 0.02) = 0.047% Peak 532 (4.40, 7.49, 120.17 ppm): 12 chemical-shift based assignments, quality = 0.297, support = 2.95, residual support = 59.9: HA TRP 51 - HE3 TRP 51 8.333% * 74.9422% (0.17 3.90 79.96) = 74.942% kept HA HIS+ 14 - HE3 TRP 51 8.333% * 11.4990% (0.67 0.15 0.02) = 11.499% kept HA PRO 104 - HE3 TRP 51 8.333% * 2.1917% (0.98 0.02 0.02) = 2.192% kept HA THR 95 - HE3 TRP 51 8.333% * 2.1483% (0.96 0.02 0.02) = 2.148% kept HA ASN 57 - HE3 TRP 51 8.333% * 2.1151% (0.94 0.02 0.02) = 2.115% kept HA PRO 86 - HE3 TRP 51 8.333% * 1.8306% (0.82 0.02 0.02) = 1.831% kept HA SER 88 - HE3 TRP 51 8.333% * 1.4178% (0.63 0.02 0.02) = 1.418% kept HA ALA 91 - HE3 TRP 51 8.333% * 1.1531% (0.51 0.02 0.02) = 1.153% kept HA LYS+ 66 - HE3 TRP 51 8.333% * 0.9826% (0.44 0.02 0.02) = 0.983% HA SER 27 - HE3 TRP 51 8.333% * 0.6765% (0.30 0.02 0.02) = 0.676% HA ALA 37 - HE3 TRP 51 8.333% * 0.6094% (0.27 0.02 0.02) = 0.609% HA LYS+ 60 - HE3 TRP 51 8.333% * 0.4337% (0.19 0.02 0.02) = 0.434% 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): 2 chemical-shift based assignments, quality = 0.542, support = 0.432, residual support = 0.405: HN SER 88 - QE TYR 83 50.000% * 97.1037% (0.55 0.44 0.42) = 97.104% kept HN GLY 26 - QE TYR 83 50.000% * 2.8963% (0.36 0.02 0.02) = 2.896% kept Not enough total support, support cutoff is 0.60 Peak unassigned. 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): 2 chemical-shift based assignments, quality = 0.863, support = 1.5, residual support = 16.8: HA LEU 74 - QE TYR 83 50.000% * 99.6113% (0.87 1.51 16.86) = 99.611% kept HB THR 96 - QE TYR 83 50.000% * 0.3887% (0.25 0.02 0.02) = 0.389% Peak 547 (4.70, 6.73, 118.60 ppm): 8 chemical-shift based assignments, quality = 0.377, support = 0.94, residual support = 33.4: HA TYR 83 - QE TYR 83 12.500% * 58.1281% (0.28 1.49 57.49) = 58.128% kept HA ASN 89 - QE TYR 83 12.500% * 15.2348% (0.48 0.23 0.11) = 15.235% kept HA THR 39 - QE TYR 83 12.500% * 14.0442% (0.48 0.21 0.02) = 14.044% kept HA2 GLY 30 - QE TYR 83 12.500% * 5.8658% (0.41 0.10 0.02) = 5.866% kept HA GLN 16 - QE TYR 83 12.500% * 2.3869% (0.87 0.02 0.02) = 2.387% kept HA VAL 99 - QE TYR 83 12.500% * 2.1076% (0.77 0.02 0.02) = 2.108% kept HA THR 61 - QE TYR 83 12.500% * 1.7333% (0.63 0.02 0.02) = 1.733% kept HA LYS+ 20 - QE TYR 83 12.500% * 0.4994% (0.18 0.02 0.02) = 0.499% Peak 548 (0.46, 6.73, 118.58 ppm): 2 chemical-shift based assignments, quality = 0.9, support = 2.91, residual support = 15.5: QD2 LEU 74 - QE TYR 83 50.000% * 91.6931% (0.94 3.13 16.86) = 91.693% kept QD2 LEU 43 - QE TYR 83 50.000% * 8.3069% (0.49 0.54 0.22) = 8.307% kept Peak 549 (-0.05, 6.73, 118.58 ppm): 1 chemical-shift based assignment, quality = 0.569, support = 3.19, residual support = 16.9: T QD1 LEU 74 - QE TYR 83 100.000% *100.0000% (0.57 10.00 3.19 16.86) = 100.000% kept Peak 550 (2.32, 7.06, 133.69 ppm): 6 chemical-shift based assignments, quality = 0.659, support = 3.35, residual support = 52.9: O T HB2 TYR 83 - QD TYR 83 16.667% * 91.8714% (0.66 10.0 10.00 3.53 57.49) = 91.871% kept HA1 GLY 58 - QD TYR 83 16.667% * 6.2108% (0.54 1.0 1.00 1.65 1.57) = 6.211% kept HB3 PRO 35 - QD TYR 83 16.667% * 1.7110% (0.96 1.0 1.00 0.26 0.56) = 1.711% kept HB3 PRO 86 - QD TYR 83 16.667% * 0.1326% (0.96 1.0 1.00 0.02 0.02) = 0.133% HB2 PRO 86 - QD TYR 83 16.667% * 0.0550% (0.40 1.0 1.00 0.02 0.02) = 0.055% HG2 GLU- 64 - QD TYR 83 16.667% * 0.0192% (0.14 1.0 1.00 0.02 0.02) = 0.019% Peak 551 (1.68, 7.06, 133.69 ppm): 7 chemical-shift based assignments, quality = 0.821, support = 1.82, residual support = 4.53: HG3 ARG+ 84 - QD TYR 83 14.286% * 50.3396% (0.86 2.60 8.81) = 50.340% kept HB3 LYS+ 81 - QD TYR 83 14.286% * 23.9671% (0.89 1.20 0.23) = 23.967% kept HB3 LYS+ 66 - QD TYR 83 14.286% * 14.8993% (0.55 1.22 0.13) = 14.899% kept HD3 LYS+ 55 - QD TYR 83 14.286% * 9.8308% (0.93 0.47 0.16) = 9.831% kept HG13 ILE 19 - QD TYR 83 14.286% * 0.3875% (0.86 0.02 0.02) = 0.387% HB3 MET 97 - QD TYR 83 14.286% * 0.3137% (0.70 0.02 0.02) = 0.314% HB ILE 100 - QD TYR 83 14.286% * 0.2620% (0.58 0.02 0.02) = 0.262% Peak 552 (0.90, 7.06, 133.69 ppm): 8 chemical-shift based assignments, quality = 0.807, support = 1.33, residual support = 2.35: QD1 LEU 67 - QD TYR 83 12.500% * 27.7268% (0.96 1.69 1.62) = 27.727% kept QG2 VAL 40 - QD TYR 83 12.500% * 21.8136% (0.93 1.38 2.36) = 21.814% kept QG1 VAL 47 - QD TYR 83 12.500% * 14.0864% (0.96 0.87 0.53) = 14.086% kept QG1 VAL 80 - QD TYR 83 12.500% * 9.6366% (0.66 0.85 3.52) = 9.637% kept QG2 VAL 80 - QD TYR 83 12.500% * 9.2795% (0.47 1.16 3.52) = 9.279% kept QG2 VAL 87 - QD TYR 83 12.500% * 8.4512% (0.93 0.53 0.14) = 8.451% kept HB2 ARG+ 84 - QD TYR 83 12.500% * 7.1605% (0.15 2.83 8.81) = 7.161% kept HG12 ILE 68 - QD TYR 83 12.500% * 1.8454% (0.30 0.36 0.02) = 1.845% kept Peak 553 (0.46, 7.06, 133.69 ppm): 2 chemical-shift based assignments, quality = 0.883, support = 1.89, residual support = 14.0: QD2 LEU 74 - QD TYR 83 50.000% * 82.5515% (0.96 2.11 16.86) = 82.552% kept QD2 LEU 43 - QD TYR 83 50.000% * 17.4485% (0.51 0.85 0.22) = 17.448% kept Peak 554 (-0.05, 7.06, 133.69 ppm): 1 chemical-shift based assignment, quality = 0.585, support = 2.32, residual support = 16.9: T QD1 LEU 74 - QD TYR 83 100.000% *100.0000% (0.58 10.00 2.32 16.86) = 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 = 0.978, support = 1.75, residual support = 79.9: O HZ3 TRP 51 - HZ2 TRP 51 25.000% * 99.8933% (0.98 10.0 1.75 79.96) = 99.893% kept QE TYR 83 - HZ2 TRP 51 25.000% * 0.0800% (0.69 1.0 0.02 0.02) = 0.080% HZ3 TRP 51 - HN ILE 48 25.000% * 0.0157% (0.13 1.0 0.02 0.02) = 0.016% QE TYR 83 - HN ILE 48 25.000% * 0.0110% (0.09 1.0 0.02 0.02) = 0.011% Peak 557 (1.63, 7.19, 125.29 ppm): 7 chemical-shift based assignments, quality = 0.848, support = 1.14, residual support = 20.1: HG LEU 23 - HH2 TRP 51 14.286% * 57.0951% (0.95 1.50 33.19) = 57.095% kept HG12 ILE 101 - HH2 TRP 51 14.286% * 28.5476% (0.95 0.75 3.70) = 28.548% kept HB3 ARG+ 22 - HH2 TRP 51 14.286% * 8.7916% (0.32 0.68 0.02) = 8.792% kept HD3 LYS+ 32 - HH2 TRP 51 14.286% * 3.4161% (0.21 0.40 1.63) = 3.416% kept HB ILE 68 - HH2 TRP 51 14.286% * 0.7562% (0.94 0.02 0.02) = 0.756% HG LEU 43 - HH2 TRP 51 14.286% * 0.7562% (0.94 0.02 0.02) = 0.756% HG3 LYS+ 78 - HH2 TRP 51 14.286% * 0.6373% (0.79 0.02 0.02) = 0.637% Peak 558 (1.00, 7.19, 125.29 ppm): 1 chemical-shift based assignment, quality = 0.877, support = 0.02, residual support = 0.02: QG1 VAL 99 - HH2 TRP 51 100.000% *100.0000% (0.88 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.30 Peak unassigned. 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 = 0.8, support = 4.17, residual support = 34.2: T QG2 ILE 19 - QE PHE 34 100.000% *100.0000% (0.80 10.00 4.17 34.23) = 100.000% kept Peak 562 (-0.11, 7.34, 131.43 ppm): 1 chemical-shift based assignment, quality = 0.8, support = 2.75, residual support = 9.8: T QD1 LEU 43 - QE PHE 34 100.000% *100.0000% (0.80 10.00 2.75 9.80) = 100.000% kept Peak 563 (0.01, 7.32, 133.42 ppm): 1 chemical-shift based assignment, quality = 0.867, support = 4.5, residual support = 34.2: T QG2 ILE 19 - QD PHE 34 100.000% *100.0000% (0.87 10.00 4.50 34.23) = 100.000% kept Peak 564 (-0.12, 7.32, 133.42 ppm): 1 chemical-shift based assignment, quality = 0.411, support = 3.36, residual support = 9.8: T QD1 LEU 43 - QD PHE 34 100.000% *100.0000% (0.41 10.00 3.36 9.80) = 100.000% kept Peak 565 (3.16, 7.34, 131.42 ppm): 5 chemical-shift based assignments, quality = 0.868, support = 2.27, residual support = 35.0: T HB3 PHE 34 - QE PHE 34 20.000% * 93.2514% (0.90 10.00 2.41 37.49) = 93.251% kept T HA1 GLY 58 - QE PHE 34 20.000% * 3.1907% (0.21 10.00 0.30 0.02) = 3.191% kept HD2 ARG+ 53 - QE PHE 34 20.000% * 2.0032% (0.62 1.00 0.63 0.16) = 2.003% kept HD3 ARG+ 84 - QE PHE 34 20.000% * 1.5068% (0.65 1.00 0.45 0.12) = 1.507% kept HB3 HIS+ 98 - QE PHE 34 20.000% * 0.0480% (0.46 1.00 0.02 0.02) = 0.048% Peak 566 (2.61, 7.34, 131.42 ppm): 4 chemical-shift based assignments, quality = 0.872, support = 2.45, residual support = 29.5: T HB2 PHE 34 - QE PHE 34 25.000% * 78.3909% (0.85 10.00 2.86 37.49) = 78.391% kept T HA1 GLY 58 - QE PHE 34 25.000% * 13.0496% (0.95 10.00 0.30 0.02) = 13.050% kept HE2 LYS+ 20 - QE PHE 34 25.000% * 8.4837% (0.93 1.00 1.98 1.65) = 8.484% kept HB2 ASP- 25 - QE PHE 34 25.000% * 0.0758% (0.83 1.00 0.02 0.02) = 0.076% Peak 567 (2.80, 7.34, 131.42 ppm): 4 chemical-shift based assignments, quality = 0.928, support = 2.3, residual support = 19.3: T HE3 LYS+ 32 - QE PHE 34 25.000% * 86.9061% (0.94 10.00 2.60 22.26) = 86.906% kept T HA1 GLY 58 - QE PHE 34 25.000% * 11.3152% (0.82 10.00 0.30 0.02) = 11.315% kept HA2 GLY 58 - QE PHE 34 25.000% * 1.7117% (0.95 1.00 0.39 0.02) = 1.712% kept HB3 ASN 89 - QE PHE 34 25.000% * 0.0670% (0.73 1.00 0.02 0.02) = 0.067% Peak 569 (1.32, 7.35, 131.45 ppm): 3 chemical-shift based assignments, quality = 0.759, support = 1.67, residual support = 5.14: T QG2 THR 46 - QE PHE 34 33.333% * 99.3011% (0.76 10.00 1.68 5.18) = 99.301% kept QB ALA 103 - QE PHE 34 33.333% * 0.6770% (0.30 1.00 0.29 0.02) = 0.677% HB2 LYS+ 55 - QE PHE 34 33.333% * 0.0219% (0.14 1.00 0.02 0.02) = 0.022% Peak 570 (1.32, 7.04, 130.39 ppm): 3 chemical-shift based assignments, quality = 0.927, support = 2.5, residual support = 6.55: T QG2 THR 46 - QE PHE 21 33.333% * 99.9418% (0.93 10.00 2.50 6.55) = 99.942% kept QB ALA 103 - QE PHE 21 33.333% * 0.0397% (0.37 1.00 0.02 0.02) = 0.040% HB2 LYS+ 55 - QE PHE 21 33.333% * 0.0185% (0.17 1.00 0.02 0.02) = 0.019% Peak 571 (1.63, 7.04, 130.39 ppm): 7 chemical-shift based assignments, quality = 0.686, support = 1.17, residual support = 5.04: HB3 ARG+ 22 - QE PHE 21 14.286% * 36.9891% (0.59 1.63 5.80) = 36.989% kept HB ILE 68 - QE PHE 21 14.286% * 32.5936% (0.82 1.04 0.47) = 32.594% kept HG LEU 43 - QE PHE 21 14.286% * 23.4028% (0.82 0.75 11.70) = 23.403% kept HB3 LYS+ 66 - QE PHE 21 14.286% * 5.2536% (0.15 0.91 0.02) = 5.254% kept HG LEU 23 - QE PHE 21 14.286% * 0.6897% (0.90 0.02 0.94) = 0.690% HG12 ILE 101 - QE PHE 21 14.286% * 0.6481% (0.85 0.02 0.02) = 0.648% HG3 LYS+ 78 - QE PHE 21 14.286% * 0.4230% (0.55 0.02 0.02) = 0.423% Peak 572 (0.10, 7.04, 130.39 ppm): 1 chemical-shift based assignment, quality = 0.634, support = 1.97, residual support = 10.3: T QG2 VAL 47 - QE PHE 21 100.000% *100.0000% (0.63 10.00 1.97 10.30) = 100.000% kept Peak 575 (0.01, 7.04, 130.39 ppm): 1 chemical-shift based assignment, quality = 0.749, support = 1.65, residual support = 5.62: T QG2 ILE 19 - QE PHE 21 100.000% *100.0000% (0.75 10.00 1.65 5.62) = 100.000% kept Peaks: selected : 241 with diagonal assignment : 14 without assignment possibility : 148 with one assignment possibility : 13 with multiple assignment possibilities : 66 with given assignment possibilities : 0 with unique volume contribution : 28 with multiple volume contributions : 51 eliminated by violation filter : 0 Peaks: selected : 241 without assignment : 155 with assignment : 86 with unique assignment : 39 with multiple assignment : 47 with reference assignment : 27 with identical reference assignment : 21 with compatible reference assignment : 5 with incompatible reference assignment : 0 with additional reference assignment : 1 with additional assignment : 60 Atoms with eliminated volume contribution > 2.5: Peak 1 (4.09, 9.49, 134.56 ppm): 7 chemical-shift based assignments, quality = 0.563, support = 1.99, residual support = 13.9: * O HA ALA 70 - HN ALA 70 14.286% * 99.4908% (0.57 10.0 2.00 13.94) = 99.491% kept HA THR 24 - HN ALA 70 14.286% * 0.1622% (0.92 1.0 0.02 0.02) = 0.162% HB3 SER 49 - HN ALA 70 14.286% * 0.1153% (0.66 1.0 0.02 0.02) = 0.115% HA LYS+ 63 - HN ALA 70 14.286% * 0.1066% (0.61 1.0 0.02 0.02) = 0.107% HB2 SER 49 - HN ALA 70 14.286% * 0.0542% (0.31 1.0 0.02 0.02) = 0.054% HA THR 46 - HN ALA 70 14.286% * 0.0438% (0.25 1.0 0.02 0.02) = 0.044% HB THR 38 - HN ALA 70 14.286% * 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 = 0.858, support = 0.176, residual support = 0.02: HA HIS+ 98 - HN ALA 70 25.000% * 83.7901% (0.88 0.21 0.02) = 83.790% kept HA ILE 101 - HN ALA 70 25.000% * 9.0530% (0.98 0.02 0.02) = 9.053% kept HA ALA 33 - HN ALA 70 25.000% * 5.1368% (0.55 0.02 0.02) = 5.137% kept HA MET 97 - HN ALA 70 25.000% * 2.0200% (0.22 0.02 0.02) = 2.020% kept Not enough support, support cutoff is 0.30 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): 6 chemical-shift based assignments, quality = 0.371, support = 2.22, residual support = 20.3: * O HA VAL 99 - HN ILE 100 16.667% * 99.3015% (0.37 10.0 2.24 20.44) = 99.302% kept HA ASN 89 - HN ILE 100 16.667% * 0.2503% (0.94 1.0 0.02 0.02) = 0.250% HA TYR 83 - HN ILE 100 16.667% * 0.2022% (0.76 1.0 0.02 0.02) = 0.202% HA GLN 16 - HN ILE 100 16.667% * 0.1392% (0.52 1.0 0.02 0.02) = 0.139% HA THR 61 - HN ILE 100 16.667% * 0.0660% (0.25 1.0 0.02 0.02) = 0.066% HA THR 39 - HN ILE 100 16.667% * 0.0408% (0.15 1.0 0.02 0.02) = 0.041% Peak 8 (0.90, 9.25, 131.84 ppm): 8 chemical-shift based assignments, quality = 0.898, support = 1.88, residual support = 4.14: QD1 LEU 67 - HN ILE 100 12.500% * 87.5318% (1.00 2.07 4.71) = 87.532% kept HG12 ILE 68 - HN ILE 100 12.500% * 8.8831% (0.31 0.68 0.18) = 8.883% kept QG1 VAL 47 - HN ILE 100 12.500% * 0.8362% (0.99 0.02 0.02) = 0.836% QG2 VAL 87 - HN ILE 100 12.500% * 0.8142% (0.96 0.02 0.02) = 0.814% QG2 VAL 40 - HN ILE 100 12.500% * 0.8142% (0.96 0.02 0.02) = 0.814% QG1 VAL 80 - HN ILE 100 12.500% * 0.5795% (0.68 0.02 0.02) = 0.580% QG2 VAL 80 - HN ILE 100 12.500% * 0.4107% (0.48 0.02 0.02) = 0.411% HB2 ARG+ 84 - HN ILE 100 12.500% * 0.1302% (0.15 0.02 0.02) = 0.130% Reference assignment not found: HG LEU 74 - HN ILE 100 Peak 9 (1.64, 9.25, 131.84 ppm): 9 chemical-shift based assignments, quality = 0.388, support = 3.5, residual support = 47.2: * O HB ILE 100 - HN ILE 100 11.111% * 60.7136% (0.25 10.0 4.25 70.49) = 60.714% kept HG12 ILE 101 - HN ILE 100 11.111% * 24.9591% (0.68 1.0 2.98 16.77) = 24.959% kept HB ILE 68 - HN ILE 100 11.111% * 7.7746% (0.64 1.0 0.99 0.18) = 7.775% kept HB3 LYS+ 66 - HN ILE 100 11.111% * 5.8801% (0.28 1.0 1.74 3.43) = 5.880% kept HB3 ARG+ 22 - HN ILE 100 11.111% * 0.1950% (0.80 1.0 0.02 0.02) = 0.195% HG LEU 23 - HN ILE 100 11.111% * 0.1861% (0.76 1.0 0.02 2.06) = 0.186% HG LEU 43 - HN ILE 100 11.111% * 0.1575% (0.64 1.0 0.02 0.02) = 0.158% HG3 LYS+ 78 - HN ILE 100 11.111% * 0.0914% (0.37 1.0 0.02 0.02) = 0.091% HB3 MET 97 - HN ILE 100 11.111% * 0.0426% (0.17 1.0 0.02 0.02) = 0.043% Peak 10 (1.02, 9.25, 131.84 ppm): 2 chemical-shift based assignments, quality = 0.719, support = 3.11, residual support = 20.3: QG1 VAL 99 - HN ILE 100 50.000% * 99.5030% (0.72 3.12 20.44) = 99.503% kept HG3 LYS+ 20 - HN ILE 100 50.000% * 0.4970% (0.56 0.02 0.02) = 0.497% Reference assignment not found: HG LEU 74 - HN ILE 100 Peak 11 (9.07, 9.25, 131.84 ppm): 2 chemical-shift based assignments, quality = 0.912, support = 1.31, residual support = 3.4: * T HN LYS+ 66 - HN ILE 100 50.000% * 99.2989% (0.92 10.00 1.32 3.43) = 99.299% kept HN GLU- 54 - HN ILE 100 50.000% * 0.7011% (0.98 1.00 0.09 0.02) = 0.701% Peak 12 (4.46, 9.25, 131.84 ppm): 5 chemical-shift based assignments, quality = 0.855, support = 4.86, residual support = 69.8: * O HA ILE 100 - HN ILE 100 20.000% * 99.0168% (0.86 10.0 4.91 70.49) = 99.017% kept HA GLN 102 - HN ILE 100 20.000% * 0.5049% (0.86 1.0 0.10 0.13) = 0.505% HA GLU- 50 - HN ILE 100 20.000% * 0.4052% (0.92 1.0 0.08 0.24) = 0.405% HA LYS+ 32 - HN ILE 100 20.000% * 0.0556% (0.48 1.0 0.02 0.02) = 0.056% HB THR 24 - HN ILE 100 20.000% * 0.0176% (0.15 1.0 0.02 0.02) = 0.018% Peak 13 (0.77, 9.25, 131.84 ppm): 4 chemical-shift based assignments, quality = 0.21, support = 3.2, residual support = 40.8: QD1 ILE 100 - HN ILE 100 25.000% * 56.3882% (0.20 4.34 70.49) = 56.388% kept HG3 LYS+ 66 - HN ILE 100 25.000% * 26.4006% (0.17 2.29 3.43) = 26.401% kept QG2 ILE 48 - HN ILE 100 25.000% * 16.0716% (0.27 0.90 0.70) = 16.072% kept HG3 LYS+ 44 - HN ILE 100 25.000% * 1.1395% (0.86 0.02 0.02) = 1.140% kept Reference assignment not found: HG12 ILE 100 - HN ILE 100 Peak 14 (9.28, 9.29, 130.07 ppm): 1 diagonal assignment: * HN LEU 23 - HN LEU 23 (0.90) kept Peak 15 (5.17, 9.29, 130.07 ppm): 1 chemical-shift based assignment, quality = 0.646, support = 2.64, residual support = 5.13: * O HA ARG+ 22 - HN LEU 23 100.000% *100.0000% (0.65 10.0 2.64 5.13) = 100.000% kept Peak 16 (1.63, 9.29, 130.07 ppm): 6 chemical-shift based assignments, quality = 0.849, support = 3.3, residual support = 69.4: * HG LEU 23 - HN LEU 23 16.667% * 56.8655% (0.96 4.16 119.42) = 56.866% kept HB3 ARG+ 22 - HN LEU 23 16.667% * 23.1422% (0.53 3.10 5.13) = 23.142% kept HG12 ILE 101 - HN LEU 23 16.667% * 16.5154% (0.92 1.26 1.57) = 16.515% kept HB ILE 68 - HN LEU 23 16.667% * 3.0391% (0.90 0.24 0.02) = 3.039% kept HG LEU 43 - HN LEU 23 16.667% * 0.2544% (0.90 0.02 0.02) = 0.254% HG3 LYS+ 78 - HN LEU 23 16.667% * 0.1835% (0.65 0.02 0.02) = 0.183% Peak 17 (1.92, 9.29, 130.07 ppm): 12 chemical-shift based assignments, quality = 0.984, support = 5.43, residual support = 108.1: * O HB2 LEU 23 - HN LEU 23 8.333% * 89.6119% (1.00 10.0 5.91 119.42) = 89.612% kept HB ILE 29 - HN LEU 23 8.333% * 6.8847% (0.94 1.0 1.62 14.94) = 6.885% kept HD3 LYS+ 63 - HN LEU 23 8.333% * 2.1370% (0.90 1.0 0.53 0.48) = 2.137% kept HB3 ARG+ 53 - HN LEU 23 8.333% * 1.0624% (0.45 1.0 0.53 0.19) = 1.062% kept HB3 GLU- 56 - HN LEU 23 8.333% * 0.0894% (1.00 1.0 0.02 0.02) = 0.089% HB3 GLN 102 - HN LEU 23 8.333% * 0.0651% (0.73 1.0 0.02 0.92) = 0.065% HB2 GLU- 10 - HN LEU 23 8.333% * 0.0580% (0.65 1.0 0.02 0.02) = 0.058% HB2 GLU- 75 - HN LEU 23 8.333% * 0.0306% (0.34 1.0 0.02 1.32) = 0.031% HB3 LYS+ 55 - HN LEU 23 8.333% * 0.0177% (0.20 1.0 0.02 0.02) = 0.018% HG3 PRO 31 - HN LEU 23 8.333% * 0.0157% (0.17 1.0 0.02 0.02) = 0.016% HB3 GLN 16 - HN LEU 23 8.333% * 0.0138% (0.15 1.0 0.02 0.92) = 0.014% HG2 GLU- 18 - HN LEU 23 8.333% * 0.0138% (0.15 1.0 0.02 5.70) = 0.014% Peak 18 (0.27, 9.29, 130.07 ppm): 1 chemical-shift based assignment, quality = 0.341, support = 5.32, residual support = 119.4: * QD2 LEU 23 - HN LEU 23 100.000% *100.0000% (0.34 5.32 119.42) = 100.000% kept Peak 19 (3.28, 9.29, 130.07 ppm): 2 chemical-shift based assignments, quality = 0.984, support = 0.02, residual support = 0.335: HE3 LYS+ 63 - HN LEU 23 50.000% * 50.2778% (0.99 0.02 0.48) = 50.278% kept HD3 ARG+ 53 - HN LEU 23 50.000% * 49.7222% (0.98 0.02 0.19) = 49.722% kept Reference assignment not found: HA LEU 23 - HN LEU 23 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 20 (1.38, 9.29, 130.07 ppm): 12 chemical-shift based assignments, quality = 0.447, support = 2.22, residual support = 4.21: * HG3 ARG+ 22 - HN LEU 23 8.333% * 75.5455% (0.45 2.81 5.13) = 75.545% kept HG13 ILE 100 - HN LEU 23 8.333% * 9.5852% (0.17 0.91 2.06) = 9.585% kept HB3 LYS+ 20 - HN LEU 23 8.333% * 5.9132% (0.76 0.13 2.23) = 5.913% kept HB3 LEU 17 - HN LEU 23 8.333% * 2.6096% (0.57 0.08 0.19) = 2.610% kept HG2 LYS+ 78 - HN LEU 23 8.333% * 1.1881% (0.99 0.02 0.02) = 1.188% kept QG2 THR 39 - HN LEU 23 8.333% * 1.1750% (0.98 0.02 0.02) = 1.175% kept HG13 ILE 68 - HN LEU 23 8.333% * 1.0398% (0.87 0.02 0.02) = 1.040% kept QB ALA 11 - HN LEU 23 8.333% * 0.9599% (0.80 0.02 0.02) = 0.960% HG LEU 67 - HN LEU 23 8.333% * 0.6989% (0.15 0.08 0.02) = 0.699% HG3 LYS+ 81 - HN LEU 23 8.333% * 0.5374% (0.45 0.02 0.14) = 0.537% HD3 LYS+ 20 - HN LEU 23 8.333% * 0.5374% (0.45 0.02 2.23) = 0.537% QB ALA 93 - HN LEU 23 8.333% * 0.2099% (0.17 0.02 0.02) = 0.210% Peak 21 (1.74, 9.29, 130.07 ppm): 5 chemical-shift based assignments, quality = 0.984, support = 5.42, residual support = 116.1: O HB3 LEU 23 - HN LEU 23 20.000% * 97.2175% (1.00 10.0 5.56 119.42) = 97.218% kept HB2 LEU 17 - HN LEU 23 20.000% * 1.5441% (0.83 1.0 0.38 0.19) = 1.544% kept HB2 GLN 16 - HN LEU 23 20.000% * 1.1297% (0.20 1.0 1.17 0.92) = 1.130% kept HB ILE 48 - HN LEU 23 20.000% * 0.0955% (0.98 1.0 0.02 0.02) = 0.096% HB3 GLU- 18 - HN LEU 23 20.000% * 0.0132% (0.14 1.0 0.02 5.70) = 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): 6 chemical-shift based assignments, quality = 0.74, support = 0.476, residual support = 0.493: HB3 SER 49 - HN LYS+ 66 16.667% * 62.7360% (0.89 0.54 0.64) = 62.736% kept HA ASP- 82 - HN LYS+ 66 16.667% * 20.0314% (0.25 0.62 0.44) = 20.031% kept HA VAL 73 - HN LYS+ 66 16.667% * 10.5190% (0.99 0.08 0.02) = 10.519% kept HA VAL 105 - HN LYS+ 66 16.667% * 4.9867% (0.49 0.08 0.02) = 4.987% kept HB THR 106 - HN LYS+ 66 16.667% * 1.2699% (0.49 0.02 0.02) = 1.270% kept HA VAL 87 - HN LYS+ 66 16.667% * 0.4569% (0.17 0.02 0.02) = 0.457% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 24 (0.72, 9.08, 129.85 ppm): 7 chemical-shift based assignments, quality = 0.635, support = 1.81, residual support = 7.94: * HG3 LYS+ 66 - HN LYS+ 66 14.286% * 43.5482% (0.53 2.80 16.53) = 43.548% kept QG2 ILE 101 - HN LYS+ 66 14.286% * 31.1291% (0.71 1.48 2.25) = 31.129% kept QG2 ILE 48 - HN LYS+ 66 14.286% * 15.7516% (0.75 0.71 0.11) = 15.752% kept HG LEU 74 - HN LYS+ 66 14.286% * 4.7714% (0.96 0.17 0.43) = 4.771% kept QG2 THR 96 - HN LYS+ 66 14.286% * 3.7564% (0.53 0.24 0.12) = 3.756% kept QG1 VAL 40 - HN LYS+ 66 14.286% * 0.5303% (0.90 0.02 0.02) = 0.530% QD1 ILE 68 - HN LYS+ 66 14.286% * 0.5130% (0.87 0.02 0.02) = 0.513% Peak 25 (1.65, 9.08, 129.85 ppm): 11 chemical-shift based assignments, quality = 0.509, support = 2.98, residual support = 14.5: O HB3 LYS+ 66 - HN LYS+ 66 9.091% * 85.2385% (0.53 10.0 3.20 16.53) = 85.238% kept HB ILE 100 - HN LYS+ 66 9.091% * 8.5901% (0.49 1.0 2.18 3.43) = 8.590% kept * HG12 ILE 101 - HN LYS+ 66 9.091% * 4.8176% (0.41 1.0 1.45 2.25) = 4.818% kept HB ILE 68 - HN LYS+ 66 9.091% * 0.8980% (0.37 1.0 0.30 0.02) = 0.898% HB3 ARG+ 22 - HN LYS+ 66 9.091% * 0.1588% (0.98 1.0 0.02 0.02) = 0.159% HG LEU 23 - HN LYS+ 66 9.091% * 0.0789% (0.49 1.0 0.02 0.02) = 0.079% HB3 MET 97 - HN LYS+ 66 9.091% * 0.0608% (0.37 1.0 0.02 0.02) = 0.061% HG LEU 43 - HN LYS+ 66 9.091% * 0.0608% (0.37 1.0 0.02 0.02) = 0.061% HG3 ARG+ 84 - HN LYS+ 66 9.091% * 0.0361% (0.22 1.0 0.02 0.02) = 0.036% HB3 LYS+ 81 - HN LYS+ 66 9.091% * 0.0321% (0.20 1.0 0.02 0.02) = 0.032% HG3 LYS+ 78 - HN LYS+ 66 9.091% * 0.0284% (0.17 1.0 0.02 0.02) = 0.028% Peak 26 (1.84, 9.08, 129.85 ppm): 8 chemical-shift based assignments, quality = 0.994, support = 2.54, residual support = 16.5: * O HB2 LYS+ 66 - HN LYS+ 66 12.500% * 99.5693% (1.00 10.0 2.55 16.53) = 99.569% kept HB3 LYS+ 60 - HN LYS+ 66 12.500% * 0.0832% (0.83 1.0 0.02 0.02) = 0.083% HB2 PRO 59 - HN LYS+ 66 12.500% * 0.0832% (0.83 1.0 0.02 0.02) = 0.083% HB3 LYS+ 72 - HN LYS+ 66 12.500% * 0.0797% (0.80 1.0 0.02 0.02) = 0.080% HB2 PRO 104 - HN LYS+ 66 12.500% * 0.0761% (0.76 1.0 0.02 0.02) = 0.076% HB VAL 94 - HN LYS+ 66 12.500% * 0.0524% (0.53 1.0 0.02 0.02) = 0.052% HG3 LYS+ 108 - HN LYS+ 66 12.500% * 0.0340% (0.34 1.0 0.02 0.02) = 0.034% HD3 LYS+ 72 - HN LYS+ 66 12.500% * 0.0222% (0.22 1.0 0.02 0.02) = 0.022% Peak 27 (4.42, 9.08, 129.85 ppm): 7 chemical-shift based assignments, quality = 0.942, support = 2.92, residual support = 16.5: * O HA LYS+ 66 - HN LYS+ 66 14.286% * 99.6989% (0.94 10.0 2.93 16.53) = 99.699% kept HB THR 24 - HN LYS+ 66 14.286% * 0.0880% (0.83 1.0 0.02 0.02) = 0.088% HA HIS+ 14 - HN LYS+ 66 14.286% * 0.0805% (0.76 1.0 0.02 0.02) = 0.081% HA PRO 86 - HN LYS+ 66 14.286% * 0.0639% (0.61 1.0 0.02 0.02) = 0.064% HA PRO 104 - HN LYS+ 66 14.286% * 0.0293% (0.28 1.0 0.02 0.02) = 0.029% HA THR 95 - HN LYS+ 66 14.286% * 0.0209% (0.20 1.0 0.02 0.35) = 0.021% HA ASN 57 - HN LYS+ 66 14.286% * 0.0185% (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 = 1.02, residual support = 2.25: QD1 ILE 101 - HN LYS+ 66 100.000% *100.0000% (0.45 1.02 2.25) = 100.000% kept Peak 29 (9.24, 9.08, 129.85 ppm): 1 chemical-shift based assignment, quality = 0.922, support = 1.32, residual support = 3.43: * T HN ILE 100 - HN LYS+ 66 100.000% *100.0000% (0.92 10.00 1.32 3.43) = 100.000% kept Peak 30 (4.17, 8.45, 129.16 ppm): 6 chemical-shift based assignments, quality = 0.761, support = 3.61, residual support = 10.2: * O HA VAL 73 - HN LEU 74 16.667% * 99.5176% (0.76 10.0 3.63 10.30) = 99.518% kept HB3 SER 49 - HN LEU 74 16.667% * 0.1246% (0.96 1.0 0.02 1.07) = 0.125% HA VAL 105 - HN LEU 74 16.667% * 0.1232% (0.95 1.0 0.02 0.02) = 0.123% HB THR 106 - HN LEU 74 16.667% * 0.1232% (0.95 1.0 0.02 0.02) = 0.123% HA VAL 87 - HN LEU 74 16.667% * 0.0790% (0.61 1.0 0.02 0.02) = 0.079% HB2 SER 88 - HN LEU 74 16.667% * 0.0325% (0.25 1.0 0.02 0.13) = 0.032% Peak 31 (0.91, 8.45, 129.16 ppm): 11 chemical-shift based assignments, quality = 0.741, support = 1.05, residual support = 5.29: QD1 LEU 67 - HN LEU 74 9.091% * 32.4399% (0.87 1.58 14.85) = 32.440% kept QG2 VAL 80 - HN LEU 74 9.091% * 19.4577% (0.80 1.03 0.58) = 19.458% kept HG12 ILE 68 - HN LEU 74 9.091% * 13.3720% (0.61 0.93 2.28) = 13.372% kept QG2 VAL 87 - HN LEU 74 9.091% * 11.5698% (0.73 0.67 0.02) = 11.570% kept QG2 VAL 40 - HN LEU 74 9.091% * 9.1084% (0.73 0.53 0.02) = 9.108% kept QG1 VAL 80 - HN LEU 74 9.091% * 8.1776% (0.38 0.92 0.58) = 8.178% kept QG1 VAL 47 - HN LEU 74 9.091% * 5.2581% (0.80 0.28 0.02) = 5.258% kept HB2 ARG+ 84 - HN LEU 74 9.091% * 0.1776% (0.38 0.02 0.44) = 0.178% QG2 VAL 105 - HN LEU 74 9.091% * 0.1614% (0.34 0.02 0.02) = 0.161% QD1 LEU 17 - HN LEU 74 9.091% * 0.1461% (0.31 0.02 0.02) = 0.146% QG1 VAL 105 - HN LEU 74 9.091% * 0.1316% (0.28 0.02 0.02) = 0.132% Reference assignment not found: HG LEU 74 - HN LEU 74 Peak 32 (0.71, 8.45, 129.16 ppm): 10 chemical-shift based assignments, quality = 0.714, support = 4.63, residual support = 78.6: HG LEU 74 - HN LEU 74 10.000% * 72.6513% (0.73 6.02 107.93) = 72.651% kept * QD1 ILE 68 - HN LEU 74 10.000% * 9.1912% (0.28 1.99 2.28) = 9.191% kept QG2 ILE 101 - HN LEU 74 10.000% * 8.8467% (0.98 0.54 0.13) = 8.847% kept QG2 ILE 48 - HN LEU 74 10.000% * 5.4638% (0.91 0.36 0.02) = 5.464% kept QG2 THR 96 - HN LEU 74 10.000% * 2.4467% (1.00 0.15 0.02) = 2.447% kept QG2 VAL 94 - HN LEU 74 10.000% * 0.8742% (0.41 0.13 0.02) = 0.874% QD1 ILE 19 - HN LEU 74 10.000% * 0.1619% (0.49 0.02 0.02) = 0.162% QG2 ILE 68 - HN LEU 74 10.000% * 0.1367% (0.41 0.02 2.28) = 0.137% HG12 ILE 19 - HN LEU 74 10.000% * 0.1248% (0.38 0.02 0.02) = 0.125% QG1 VAL 40 - HN LEU 74 10.000% * 0.1026% (0.31 0.02 0.02) = 0.103% 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 = 6.13, residual support = 107.8: * QD2 LEU 74 - HN LEU 74 50.000% * 99.9287% (0.80 6.13 107.93) = 99.929% kept QD2 LEU 43 - HN LEU 74 50.000% * 0.0713% (0.18 0.02 0.02) = 0.071% Peak 37 (4.96, 8.45, 129.16 ppm): 5 chemical-shift based assignments, quality = 0.677, support = 0.826, residual support = 6.93: HA ALA 33 - HN LEU 74 20.000% * 32.7043% (0.95 0.57 0.53) = 32.704% kept HA MET 97 - HN LEU 74 20.000% * 28.5423% (0.64 0.74 0.99) = 28.542% kept HA SER 69 - HN LEU 74 20.000% * 20.2497% (0.17 1.94 31.90) = 20.250% kept HA ILE 101 - HN LEU 74 20.000% * 10.1681% (0.68 0.25 0.13) = 10.168% kept HA HIS+ 98 - HN LEU 74 20.000% * 8.3356% (0.94 0.15 0.02) = 8.336% kept 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): 1 chemical-shift based assignment, quality = 0.174, support = 3.71, residual support = 27.5: O HA ILE 101 - HN GLN 102 100.000% *100.0000% (0.17 10.0 3.71 27.51) = 100.000% kept Reference assignment not found: HA GLN 102 - HN GLN 102 Peak 40 (0.70, 8.91, 128.65 ppm): 10 chemical-shift based assignments, quality = 0.946, support = 3.15, residual support = 21.3: * QG2 ILE 101 - HN GLN 102 10.000% * 77.2632% (0.99 3.91 27.51) = 77.263% kept QG2 ILE 48 - HN GLN 102 10.000% * 13.5240% (0.92 0.74 0.14) = 13.524% kept HG LEU 74 - HN GLN 102 10.000% * 5.8169% (0.64 0.45 0.02) = 5.817% kept QG2 THR 96 - HN GLN 102 10.000% * 2.1380% (0.99 0.11 0.02) = 2.138% kept QG1 VAL 40 - HN GLN 102 10.000% * 0.3792% (0.25 0.08 0.02) = 0.379% QD1 ILE 19 - HN GLN 102 10.000% * 0.2251% (0.56 0.02 0.02) = 0.225% QG2 VAL 94 - HN GLN 102 10.000% * 0.1935% (0.48 0.02 0.02) = 0.193% QG2 ILE 68 - HN GLN 102 10.000% * 0.1935% (0.48 0.02 0.02) = 0.193% HG12 ILE 19 - HN GLN 102 10.000% * 0.1782% (0.45 0.02 0.02) = 0.178% QD1 ILE 68 - HN GLN 102 10.000% * 0.0885% (0.22 0.02 0.02) = 0.089% Peak 41 (1.90, 8.91, 128.65 ppm): 8 chemical-shift based assignments, quality = 0.891, support = 3.81, residual support = 25.7: * O HB3 GLN 102 - HN GLN 102 12.500% * 88.6057% (0.92 10.0 3.98 28.85) = 88.606% kept HG2 GLU- 18 - HN GLN 102 12.500% * 10.1264% (0.76 1.0 2.76 1.09) = 10.126% kept HB3 GLN 16 - HN GLN 102 12.500% * 0.9719% (0.76 1.0 0.26 0.17) = 0.972% HB3 ARG+ 53 - HN GLN 102 12.500% * 0.0958% (0.99 1.0 0.02 0.02) = 0.096% HD3 LYS+ 63 - HN GLN 102 12.500% * 0.0734% (0.76 1.0 0.02 0.02) = 0.073% HB3 GLU- 56 - HN GLN 102 12.500% * 0.0505% (0.52 1.0 0.02 0.02) = 0.051% HB2 LEU 23 - HN GLN 102 12.500% * 0.0467% (0.48 1.0 0.02 0.92) = 0.047% HB ILE 29 - HN GLN 102 12.500% * 0.0296% (0.31 1.0 0.02 0.02) = 0.030% Peak 42 (4.46, 8.91, 128.65 ppm): 5 chemical-shift based assignments, quality = 0.795, support = 3.03, residual support = 27.4: O HA GLN 102 - HN GLN 102 20.000% * 94.9995% (0.80 10.0 3.14 28.85) = 94.999% kept HA ILE 100 - HN GLN 102 20.000% * 4.8138% (0.80 1.0 1.01 0.13) = 4.814% kept HA GLU- 50 - HN GLN 102 20.000% * 0.1145% (0.96 1.0 0.02 0.02) = 0.114% HA LYS+ 32 - HN GLN 102 20.000% * 0.0488% (0.41 1.0 0.02 1.55) = 0.049% HB THR 24 - HN GLN 102 20.000% * 0.0235% (0.20 1.0 0.02 0.02) = 0.023% Reference assignment not found: HA ILE 101 - HN GLN 102 Peak 43 (0.53, 8.91, 128.65 ppm): 1 chemical-shift based assignment, quality = 0.197, support = 4.43, residual support = 27.5: * QD1 ILE 101 - HN GLN 102 100.000% *100.0000% (0.20 4.43 27.51) = 100.000% kept Peak 44 (2.14, 8.91, 128.65 ppm): 13 chemical-shift based assignments, quality = 0.772, support = 0.837, residual support = 0.455: HG3 GLU- 64 - HN GLN 102 7.692% * 35.1631% (0.98 1.02 0.42) = 35.163% kept * HB3 GLU- 75 - HN GLN 102 7.692% * 26.8017% (0.74 1.03 0.66) = 26.802% kept HG2 GLU- 64 - HN GLN 102 7.692% * 19.5591% (0.74 0.76 0.42) = 19.559% kept HB VAL 47 - HN GLN 102 7.692% * 7.4224% (0.68 0.31 0.66) = 7.422% kept HB3 PRO 35 - HN GLN 102 7.692% * 5.5495% (0.46 0.35 0.02) = 5.550% kept HG2 PRO 104 - HN GLN 102 7.692% * 2.8219% (0.25 0.33 0.02) = 2.822% kept HB2 ASP- 28 - HN GLN 102 7.692% * 0.6810% (0.98 0.02 0.02) = 0.681% HB3 LYS+ 78 - HN GLN 102 7.692% * 0.5803% (0.83 0.02 0.02) = 0.580% HG2 GLU- 45 - HN GLN 102 7.692% * 0.5310% (0.76 0.02 0.02) = 0.531% HB VAL 105 - HN GLN 102 7.692% * 0.3933% (0.56 0.02 0.02) = 0.393% HB VAL 87 - HN GLN 102 7.692% * 0.2144% (0.31 0.02 0.02) = 0.214% HA1 GLY 58 - HN GLN 102 7.692% * 0.1750% (0.25 0.02 0.02) = 0.175% HB3 LEU 43 - HN GLN 102 7.692% * 0.1072% (0.15 0.02 0.02) = 0.107% Peak 45 (4.24, 8.91, 128.65 ppm): 15 chemical-shift based assignments, quality = 0.701, support = 0.831, residual support = 0.453: HA SER 49 - HN GLN 102 6.667% * 25.6711% (0.89 0.95 0.60) = 25.671% kept HB3 SER 49 - HN GLN 102 6.667% * 19.6810% (0.41 1.59 0.60) = 19.681% kept HA LYS+ 108 - HN GLN 102 6.667% * 14.3914% (1.00 0.48 0.02) = 14.391% kept HA GLU- 18 - HN GLN 102 6.667% * 13.6533% (0.86 0.52 1.09) = 13.653% kept HA GLU- 107 - HN GLN 102 6.667% * 10.6929% (0.56 0.63 0.02) = 10.693% kept HA GLU- 64 - HN GLN 102 6.667% * 6.6079% (0.25 0.88 0.42) = 6.608% kept HA ALA 42 - HN GLN 102 6.667% * 4.3206% (0.94 0.15 0.02) = 4.321% kept HA ASN 76 - HN GLN 102 6.667% * 2.0908% (0.60 0.11 0.02) = 2.091% kept HA GLU- 54 - HN GLN 102 6.667% * 0.6024% (1.00 0.02 0.02) = 0.602% HA GLU- 10 - HN GLN 102 6.667% * 0.6024% (1.00 0.02 0.02) = 0.602% HA PRO 59 - HN GLN 102 6.667% * 0.5403% (0.89 0.02 0.02) = 0.540% HA ALA 11 - HN GLN 102 6.667% * 0.4138% (0.68 0.02 0.02) = 0.414% HA GLU- 56 - HN GLN 102 6.667% * 0.3169% (0.52 0.02 0.02) = 0.317% HA GLU- 12 - HN GLN 102 6.667% * 0.2477% (0.41 0.02 0.02) = 0.248% * HA GLU- 75 - HN GLN 102 6.667% * 0.1675% (0.28 0.02 0.66) = 0.167% Reference assignment eliminated. 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): 5 chemical-shift based assignments, quality = 0.858, support = 4.33, residual support = 18.0: * O HA ILE 100 - HN ILE 101 20.000% * 86.4140% (0.87 10.0 4.59 16.77) = 86.414% kept HA GLN 102 - HN ILE 101 20.000% * 12.5843% (0.87 1.0 2.91 27.51) = 12.584% kept HA LYS+ 32 - HN ILE 101 20.000% * 0.8944% (0.49 1.0 0.37 0.46) = 0.894% HA GLU- 50 - HN ILE 101 20.000% * 0.0920% (0.92 1.0 0.02 0.02) = 0.092% HB THR 24 - HN ILE 101 20.000% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 51 (2.06, 8.74, 127.82 ppm): 9 chemical-shift based assignments, quality = 0.799, support = 5.62, residual support = 102.3: O HB ILE 101 - HN ILE 101 11.111% * 88.9687% (0.80 10.0 6.11 114.85) = 88.969% kept * HB3 GLU- 75 - HN ILE 101 11.111% * 9.2097% (0.84 1.0 1.97 1.65) = 9.210% kept HB VAL 62 - HN ILE 101 11.111% * 1.1002% (0.90 1.0 0.22 0.02) = 1.100% kept HG3 GLU- 64 - HN ILE 101 11.111% * 0.5366% (0.43 1.0 0.22 0.02) = 0.537% HB2 GLU- 45 - HN ILE 101 11.111% * 0.0807% (0.73 1.0 0.02 0.13) = 0.081% HG3 PRO 86 - HN ILE 101 11.111% * 0.0498% (0.45 1.0 0.02 0.02) = 0.050% HB3 PRO 35 - HN ILE 101 11.111% * 0.0211% (0.19 1.0 0.02 0.02) = 0.021% HA1 GLY 58 - HN ILE 101 11.111% * 0.0176% (0.16 1.0 0.02 0.02) = 0.018% HG2 GLU- 64 - HN ILE 101 11.111% * 0.0155% (0.14 1.0 0.02 0.02) = 0.016% Peak 52 (0.85, 8.74, 127.82 ppm): 5 chemical-shift based assignments, quality = 0.74, support = 4.0, residual support = 15.4: QG2 ILE 100 - HN ILE 101 20.000% * 91.7684% (0.76 4.33 16.77) = 91.768% kept QG1 VAL 13 - HN ILE 101 20.000% * 4.4366% (0.31 0.52 0.02) = 4.437% kept QG2 VAL 13 - HN ILE 101 20.000% * 3.1800% (0.80 0.14 0.02) = 3.180% kept QD1 LEU 90 - HN ILE 101 20.000% * 0.4440% (0.80 0.02 0.02) = 0.444% QD1 ILE 29 - HN ILE 101 20.000% * 0.1711% (0.31 0.02 0.02) = 0.171% Reference assignment not found: HB ILE 101 - HN ILE 101 Peak 53 (1.61, 8.74, 127.82 ppm): 7 chemical-shift based assignments, quality = 0.627, support = 4.72, residual support = 96.7: * HG12 ILE 101 - HN ILE 101 14.286% * 84.1703% (0.65 5.49 114.85) = 84.170% kept HD3 LYS+ 32 - HN ILE 101 14.286% * 8.9065% (0.76 0.49 0.46) = 8.907% kept HB3 LYS+ 32 - HN ILE 101 14.286% * 5.5671% (0.28 0.85 0.46) = 5.567% kept HG3 LYS+ 78 - HN ILE 101 14.286% * 0.4372% (0.92 0.02 0.02) = 0.437% HB ILE 68 - HN ILE 101 14.286% * 0.3254% (0.69 0.02 0.02) = 0.325% HG LEU 43 - HN ILE 101 14.286% * 0.3254% (0.69 0.02 0.02) = 0.325% HG LEU 23 - HN ILE 101 14.286% * 0.2682% (0.57 0.02 1.57) = 0.268% Peak 54 (1.26, 8.74, 127.82 ppm): 4 chemical-shift based assignments, quality = 0.344, support = 4.67, residual support = 93.1: HG13 ILE 101 - HN ILE 101 25.000% * 81.0468% (0.28 5.69 114.85) = 81.047% kept HG2 LYS+ 32 - HN ILE 101 25.000% * 10.6995% (0.73 0.29 0.46) = 10.700% kept HB3 LEU 74 - HN ILE 101 25.000% * 7.9043% (0.53 0.29 0.13) = 7.904% kept HG2 LYS+ 81 - HN ILE 101 25.000% * 0.3494% (0.34 0.02 0.10) = 0.349% Reference assignment not found: HG LEU 74 - HN ILE 101 Peak 55 (0.71, 8.74, 127.82 ppm): 11 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 94.4: * QG2 ILE 101 - HN ILE 101 9.091% * 82.1294% (0.88 6.49 114.85) = 82.129% kept QG2 ILE 48 - HN ILE 101 9.091% * 11.3895% (0.84 0.94 0.20) = 11.390% kept HG LEU 74 - HN ILE 101 9.091% * 3.3008% (0.96 0.24 0.13) = 3.301% kept QG1 VAL 40 - HN ILE 101 9.091% * 1.4386% (0.61 0.16 0.69) = 1.439% kept QG2 THR 96 - HN ILE 101 9.091% * 1.2972% (0.83 0.11 0.02) = 1.297% kept QD1 ILE 68 - HN ILE 101 9.091% * 0.1631% (0.57 0.02 0.02) = 0.163% HG3 LYS+ 66 - HN ILE 101 9.091% * 0.0718% (0.25 0.02 2.25) = 0.072% QD1 ILE 19 - HN ILE 101 9.091% * 0.0641% (0.22 0.02 0.02) = 0.064% QG2 VAL 94 - HN ILE 101 9.091% * 0.0505% (0.17 0.02 0.02) = 0.050% QG2 ILE 68 - HN ILE 101 9.091% * 0.0505% (0.17 0.02 0.02) = 0.050% HG12 ILE 19 - HN ILE 101 9.091% * 0.0445% (0.15 0.02 0.02) = 0.044% Peak 56 (0.54, 8.74, 127.82 ppm): 1 chemical-shift based assignment, quality = 0.486, support = 5.79, residual support = 114.9: * QD1 ILE 101 - HN ILE 101 100.000% *100.0000% (0.49 5.79 114.85) = 100.000% kept Peak 57 (4.47, 8.35, 127.86 ppm): 5 chemical-shift based assignments, quality = 0.954, support = 2.2, residual support = 8.43: O HA GLN 102 - HN ALA 103 20.000% * 98.3514% (0.96 10.0 2.23 8.57) = 98.351% kept HA ILE 100 - HN ALA 103 20.000% * 1.4806% (0.96 1.0 0.30 0.02) = 1.481% kept HA GLU- 50 - HN ALA 103 20.000% * 0.0767% (0.75 1.0 0.02 0.02) = 0.077% HA LYS+ 32 - HN ALA 103 20.000% * 0.0689% (0.67 1.0 0.02 0.02) = 0.069% HA SER 77 - HN ALA 103 20.000% * 0.0223% (0.22 1.0 0.02 0.02) = 0.022% Peak 58 (1.29, 8.35, 127.86 ppm): 7 chemical-shift based assignments, quality = 0.861, support = 2.56, residual support = 7.39: * O QB ALA 103 - HN ALA 103 14.286% * 95.7064% (0.87 10.0 2.64 7.72) = 95.706% kept HG13 ILE 101 - HN ALA 103 14.286% * 3.0137% (0.71 1.0 0.78 0.02) = 3.014% kept QG2 THR 46 - HN ALA 103 14.286% * 1.0266% (0.30 1.0 0.62 0.40) = 1.027% kept HB2 LYS+ 55 - HN ALA 103 14.286% * 0.1067% (0.97 1.0 0.02 0.02) = 0.107% HG2 LYS+ 81 - HN ALA 103 14.286% * 0.0690% (0.63 1.0 0.02 0.02) = 0.069% HB3 LEU 74 - HN ALA 103 14.286% * 0.0478% (0.44 1.0 0.02 0.02) = 0.048% HG2 LYS+ 32 - HN ALA 103 14.286% * 0.0297% (0.27 1.0 0.02 0.02) = 0.030% Peak 59 (1.89, 8.35, 127.86 ppm): 5 chemical-shift based assignments, quality = 0.616, support = 1.85, residual support = 5.27: * HB3 GLN 102 - HN ALA 103 20.000% * 61.4164% (0.44 2.78 8.57) = 61.416% kept HG2 GLU- 18 - HN ALA 103 20.000% * 23.6860% (0.97 0.48 0.02) = 23.686% kept HB3 GLN 16 - HN ALA 103 20.000% * 11.6001% (0.97 0.24 0.02) = 11.600% kept HD3 LYS+ 63 - HN ALA 103 20.000% * 2.5807% (0.27 0.19 0.02) = 2.581% kept HB3 ARG+ 53 - HN ALA 103 20.000% * 0.7167% (0.71 0.02 0.02) = 0.717% 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 = 0.084, 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 0.30 Peak unassigned. Peak 62 (2.14, 8.35, 127.86 ppm): 12 chemical-shift based assignments, quality = 0.728, support = 0.642, residual support = 1.89: HG2 GLU- 64 - HN ALA 103 8.333% * 22.9919% (0.76 0.85 0.12) = 22.992% kept HB VAL 47 - HN ALA 103 8.333% * 17.7737% (0.81 0.61 0.47) = 17.774% kept HG3 GLU- 64 - HN ALA 103 8.333% * 14.6068% (0.97 0.42 0.12) = 14.607% kept HB3 GLU- 75 - HN ALA 103 8.333% * 14.2701% (0.69 0.58 0.02) = 14.270% kept HG2 PRO 104 - HN ALA 103 8.333% * 13.9666% (0.37 1.07 12.58) = 13.967% kept HB2 ASP- 28 - HN ALA 103 8.333% * 10.7552% (0.87 0.34 0.02) = 10.755% kept HG2 GLU- 45 - HN ALA 103 8.333% * 4.0396% (0.59 0.19 0.02) = 4.040% kept HB3 LYS+ 78 - HN ALA 103 8.333% * 0.6592% (0.92 0.02 0.02) = 0.659% HB3 PRO 35 - HN ALA 103 8.333% * 0.3332% (0.47 0.02 0.02) = 0.333% HB VAL 105 - HN ALA 103 8.333% * 0.2865% (0.40 0.02 0.25) = 0.286% HA1 GLY 58 - HN ALA 103 8.333% * 0.1794% (0.25 0.02 0.02) = 0.179% HB VAL 87 - HN ALA 103 8.333% * 0.1379% (0.19 0.02 0.02) = 0.138% Reference assignment not found: HG3 GLN 102 - HN ALA 103 Peak 63 (8.90, 8.35, 127.86 ppm): 2 chemical-shift based assignments, quality = 0.953, support = 2.58, residual support = 8.54: * HN GLN 102 - HN ALA 103 50.000% * 99.7318% (0.96 2.59 8.57) = 99.732% kept HN ASP- 36 - HN ALA 103 50.000% * 0.2682% (0.33 0.02 0.02) = 0.268% 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): 2 chemical-shift based assignments, quality = 0.761, support = 1.9, residual support = 4.28: * O HA THR 96 - HN MET 97 50.000% * 99.5420% (0.76 10.0 1.91 4.30) = 99.542% kept HB THR 39 - HN MET 97 50.000% * 0.4580% (0.25 1.0 0.27 0.02) = 0.458% Peak 68 (1.66, 8.96, 127.54 ppm): 9 chemical-shift based assignments, quality = 0.793, support = 1.52, residual support = 4.69: * O HB3 MET 97 - HN MET 97 11.111% * 88.8565% (0.80 10.0 1.60 5.19) = 88.856% kept HB3 ARG+ 22 - HN MET 97 11.111% * 4.7675% (0.87 1.0 0.79 0.02) = 4.768% kept HB ILE 100 - HN MET 97 11.111% * 3.0660% (0.90 1.0 0.49 0.02) = 3.066% kept HG13 ILE 19 - HN MET 97 11.111% * 2.0929% (0.15 1.0 1.96 3.69) = 2.093% kept HB3 LYS+ 66 - HN MET 97 11.111% * 1.0027% (0.92 1.0 0.16 0.02) = 1.003% kept HG3 ARG+ 84 - HN MET 97 11.111% * 0.0839% (0.61 1.0 0.02 0.02) = 0.084% HB3 LYS+ 81 - HN MET 97 11.111% * 0.0783% (0.57 1.0 0.02 0.02) = 0.078% HD3 LYS+ 55 - HN MET 97 11.111% * 0.0308% (0.22 1.0 0.02 0.02) = 0.031% HG LEU 23 - HN MET 97 11.111% * 0.0213% (0.15 1.0 0.02 0.02) = 0.021% Peak 69 (0.69, 8.96, 127.54 ppm): 9 chemical-shift based assignments, quality = 0.897, support = 1.88, residual support = 3.07: * HG12 ILE 19 - HN MET 97 11.111% * 32.2349% (0.97 2.34 3.69) = 32.235% kept QD1 ILE 19 - HN MET 97 11.111% * 29.6518% (1.00 2.09 3.69) = 29.652% kept QG2 THR 96 - HN MET 97 11.111% * 18.0010% (0.57 2.23 4.30) = 18.001% kept QG2 ILE 101 - HN MET 97 11.111% * 9.6439% (0.90 0.76 0.02) = 9.644% kept QG2 ILE 48 - HN MET 97 11.111% * 4.5916% (0.99 0.32 0.02) = 4.592% kept QG2 VAL 94 - HN MET 97 11.111% * 3.7784% (0.98 0.27 0.02) = 3.778% kept QG2 ILE 68 - HN MET 97 11.111% * 1.9045% (0.98 0.14 0.46) = 1.905% kept QG1 VAL 62 - HN MET 97 11.111% * 0.1499% (0.53 0.02 0.02) = 0.150% HG LEU 74 - HN MET 97 11.111% * 0.0440% (0.15 0.02 0.99) = 0.044% Peak 70 (4.69, 8.96, 127.54 ppm): 7 chemical-shift based assignments, quality = 0.568, support = 0.222, residual support = 0.319: HA GLN 16 - HN MET 97 14.286% * 57.8719% (0.61 0.29 0.17) = 57.872% kept HA VAL 99 - HN MET 97 14.286% * 27.3756% (0.45 0.19 0.79) = 27.376% kept HA ASN 89 - HN MET 97 14.286% * 5.8944% (0.90 0.02 0.02) = 5.894% kept HA TYR 83 - HN MET 97 14.286% * 4.5147% (0.69 0.02 0.02) = 4.515% kept HA THR 61 - HN MET 97 14.286% * 2.0286% (0.31 0.02 0.02) = 2.029% kept HA THR 39 - HN MET 97 14.286% * 1.3007% (0.20 0.02 0.02) = 1.301% kept HA2 GLY 30 - HN MET 97 14.286% * 1.0141% (0.15 0.02 0.02) = 1.014% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 71 (4.94, 8.96, 127.54 ppm): 3 chemical-shift based assignments, quality = 0.673, support = 0.636, residual support = 1.41: * HA HIS+ 98 - HN MET 97 33.333% * 52.8839% (0.69 0.79 2.64) = 52.884% kept HA ILE 101 - HN MET 97 33.333% * 24.6106% (0.95 0.27 0.02) = 24.611% kept HA ALA 33 - HN MET 97 33.333% * 22.5055% (0.34 0.68 0.02) = 22.505% kept Peak 72 (5.26, 8.96, 127.54 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 0.518, residual support = 1.37: HA PHE 21 - HN MET 97 100.000% *100.0000% (0.76 0.52 1.37) = 100.000% kept Peak 73 (8.58, 8.96, 127.54 ppm): 4 chemical-shift based assignments, quality = 0.445, support = 3.89, residual support = 7.13: * T HN LYS+ 20 - HN MET 97 25.000% * 99.3436% (0.45 10.00 3.91 7.18) = 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 79 (4.19, 8.01, 126.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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): 2 chemical-shift based assignments, quality = 0.592, support = 0.02, residual support = 0.02: HA TYR 83 - HN ASP- 36 50.000% * 60.5077% (0.69 0.02 0.02) = 60.508% kept HA ASN 89 - HN ASP- 36 50.000% * 39.4923% (0.45 0.02 0.02) = 39.492% kept Reference assignment not found: HA ASP- 36 - HN ASP- 36 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 84 (2.64, 8.88, 126.48 ppm): 5 chemical-shift based assignments, quality = 0.741, support = 2.9, residual support = 14.5: * O HB3 ASP- 36 - HN ASP- 36 20.000% * 90.3115% (0.73 10.0 3.08 16.03) = 90.312% kept HA1 GLY 58 - HN ASP- 36 20.000% * 8.6313% (1.00 1.0 1.39 0.28) = 8.631% kept HB3 ASP- 82 - HN ASP- 36 20.000% * 0.9583% (0.83 1.0 0.18 0.02) = 0.958% HB2 ASP- 25 - HN ASP- 36 20.000% * 0.0605% (0.49 1.0 0.02 0.02) = 0.061% HE2 LYS+ 20 - HN ASP- 36 20.000% * 0.0384% (0.31 1.0 0.02 0.02) = 0.038% 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 = 0.884, support = 2.87, residual support = 13.0: * O HB2 ASP- 36 - HN ASP- 36 25.000% * 79.5244% (1.00 10.0 3.25 16.03) = 79.524% kept O HB3 PRO 35 - HN ASP- 36 25.000% * 15.2882% (0.27 10.0 1.42 1.41) = 15.288% kept HA1 GLY 58 - HN ASP- 36 25.000% * 5.1424% (0.93 1.0 1.39 0.28) = 5.142% kept HB3 PRO 59 - HN ASP- 36 25.000% * 0.0450% (0.57 1.0 0.02 0.02) = 0.045% Peak 87 (4.28, 8.88, 126.48 ppm): 16 chemical-shift based assignments, quality = 0.531, support = 2.95, residual support = 15.3: O HA ASP- 36 - HN ASP- 36 6.250% * 95.7323% (0.53 10.0 3.08 16.03) = 95.732% kept HA ARG+ 84 - HN ASP- 36 6.250% * 1.5494% (0.92 1.0 0.18 0.02) = 1.549% kept HA LEU 90 - HN ASP- 36 6.250% * 1.3440% (0.99 1.0 0.15 0.02) = 1.344% kept HA VAL 94 - HN ASP- 36 6.250% * 0.1721% (0.94 1.0 0.02 0.02) = 0.172% HD3 PRO 59 - HN ASP- 36 6.250% * 0.1680% (0.92 1.0 0.02 0.02) = 0.168% HA PRO 52 - HN ASP- 36 6.250% * 0.1680% (0.92 1.0 0.02 0.02) = 0.168% HA SER 85 - HN ASP- 36 6.250% * 0.1680% (0.92 1.0 0.02 0.02) = 0.168% HA VAL 65 - HN ASP- 36 6.250% * 0.1578% (0.87 1.0 0.02 0.02) = 0.158% HA THR 106 - HN ASP- 36 6.250% * 0.1457% (0.80 1.0 0.02 0.02) = 0.146% HA GLU- 64 - HN ASP- 36 6.250% * 0.1030% (0.57 1.0 0.02 0.02) = 0.103% HA GLU- 75 - HN ASP- 36 6.250% * 0.0957% (0.53 1.0 0.02 0.13) = 0.096% HA GLU- 56 - HN ASP- 36 6.250% * 0.0506% (0.28 1.0 0.02 0.02) = 0.051% HA GLU- 107 - HN ASP- 36 6.250% * 0.0454% (0.25 1.0 0.02 0.02) = 0.045% HA ASN 76 - HN ASP- 36 6.250% * 0.0405% (0.22 1.0 0.02 0.02) = 0.041% HA ALA 11 - HN ASP- 36 6.250% * 0.0319% (0.17 1.0 0.02 0.02) = 0.032% HB3 SER 49 - HN ASP- 36 6.250% * 0.0277% (0.15 1.0 0.02 0.02) = 0.028% Peak 88 (7.76, 8.88, 126.48 ppm): 2 chemical-shift based assignments, quality = 0.993, support = 3.62, residual support = 17.0: * T HN ALA 37 - HN ASP- 36 50.000% * 99.6509% (1.00 10.00 3.63 17.04) = 99.651% kept HN ALA 42 - HN ASP- 36 50.000% * 0.3491% (0.20 1.00 0.35 0.02) = 0.349% Peak 89 (1.92, 8.88, 126.48 ppm): 10 chemical-shift based assignments, quality = 0.794, support = 0.395, residual support = 0.0712: HB2 GLU- 10 - HN ASP- 36 10.000% * 36.3694% (0.76 0.53 0.11) = 36.369% kept HB ILE 29 - HN ASP- 36 10.000% * 33.4057% (0.99 0.38 0.02) = 33.406% kept HB2 GLU- 75 - HN ASP- 36 10.000% * 16.4036% (0.45 0.41 0.13) = 16.404% kept HB3 GLU- 56 - HN ASP- 36 10.000% * 7.9998% (0.96 0.09 0.02) = 8.000% kept HB2 LEU 23 - HN ASP- 36 10.000% * 1.7525% (0.98 0.02 0.02) = 1.753% kept HD3 LYS+ 63 - HN ASP- 36 10.000% * 1.4317% (0.80 0.02 0.02) = 1.432% kept HB3 GLN 102 - HN ASP- 36 10.000% * 1.0844% (0.61 0.02 0.02) = 1.084% kept HB3 ARG+ 53 - HN ASP- 36 10.000% * 0.6099% (0.34 0.02 0.02) = 0.610% HB3 LYS+ 55 - HN ASP- 36 10.000% * 0.4971% (0.28 0.02 0.02) = 0.497% HG3 PRO 31 - HN ASP- 36 10.000% * 0.4458% (0.25 0.02 0.02) = 0.446% Reference assignment not found: HB3 PRO 35 - HN ASP- 36 Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 90 (2.10, 8.88, 126.48 ppm): 10 chemical-shift based assignments, quality = 0.448, support = 1.37, residual support = 1.08: O HB3 PRO 35 - HN ASP- 36 10.000% * 73.7636% (0.33 10.0 1.42 1.41) = 73.764% kept HB3 GLU- 75 - HN ASP- 36 10.000% * 20.1535% (0.98 1.0 1.28 0.13) = 20.153% kept HA1 GLY 58 - HN ASP- 36 10.000% * 4.5934% (0.21 1.0 1.39 0.28) = 4.593% kept HB3 LEU 43 - HN ASP- 36 10.000% * 0.3019% (0.94 1.0 0.02 0.02) = 0.302% HB VAL 65 - HN ASP- 36 10.000% * 0.2946% (0.92 1.0 0.02 0.02) = 0.295% HG3 GLU- 64 - HN ASP- 36 10.000% * 0.2588% (0.81 1.0 0.02 0.02) = 0.259% HB VAL 87 - HN ASP- 36 10.000% * 0.2439% (0.76 1.0 0.02 0.02) = 0.244% HB VAL 105 - HN ASP- 36 10.000% * 0.1553% (0.49 1.0 0.02 0.02) = 0.155% HG2 GLU- 64 - HN ASP- 36 10.000% * 0.1367% (0.43 1.0 0.02 0.02) = 0.137% HG2 GLU- 45 - HN ASP- 36 10.000% * 0.0985% (0.31 1.0 0.02 0.02) = 0.098% Peak 91 (4.26, 8.78, 126.61 ppm): 19 chemical-shift based assignments, quality = 0.757, support = 4.13, residual support = 19.5: O HA VAL 94 - HN THR 95 5.263% * 96.0376% (0.76 10.0 4.29 20.34) = 96.038% kept HA GLU- 75 - HN THR 95 5.263% * 2.6456% (0.99 1.0 0.42 0.21) = 2.646% kept HA GLU- 64 - HN THR 95 5.263% * 0.1257% (1.00 1.0 0.02 0.02) = 0.126% HA GLU- 56 - HN THR 95 5.263% * 0.1090% (0.86 1.0 0.02 0.02) = 0.109% HA VAL 65 - HN THR 95 5.263% * 0.1090% (0.86 1.0 0.02 0.02) = 0.109% HA GLU- 107 - HN THR 95 5.263% * 0.1050% (0.83 1.0 0.02 0.02) = 0.105% HA ASN 76 - HN THR 95 5.263% * 0.1006% (0.80 1.0 0.02 0.02) = 0.101% HA ARG+ 84 - HN THR 95 5.263% * 0.1006% (0.80 1.0 0.02 0.02) = 0.101% HA SER 85 - HN THR 95 5.263% * 0.1006% (0.80 1.0 0.02 0.02) = 0.101% HA PRO 52 - HN THR 95 5.263% * 0.1006% (0.80 1.0 0.02 0.02) = 0.101% HD3 PRO 59 - HN THR 95 5.263% * 0.1006% (0.80 1.0 0.02 0.02) = 0.101% HA ALA 11 - HN THR 95 5.263% * 0.0913% (0.72 1.0 0.02 0.02) = 0.091% HA LEU 90 - HN THR 95 5.263% * 0.0612% (0.48 1.0 0.02 0.02) = 0.061% HA PRO 59 - HN THR 95 5.263% * 0.0612% (0.48 1.0 0.02 0.02) = 0.061% HA LYS+ 108 - HN THR 95 5.263% * 0.0313% (0.25 1.0 0.02 0.02) = 0.031% HA GLU- 54 - HN THR 95 5.263% * 0.0313% (0.25 1.0 0.02 0.02) = 0.031% HA GLU- 10 - HN THR 95 5.263% * 0.0313% (0.25 1.0 0.02 0.02) = 0.031% HB3 SER 49 - HN THR 95 5.263% * 0.0294% (0.23 1.0 0.02 0.02) = 0.029% HA THR 106 - HN THR 95 5.263% * 0.0280% (0.22 1.0 0.02 0.02) = 0.028% 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 = 0.562, support = 4.35, residual support = 30.5: * O HB THR 95 - HN THR 95 33.333% * 99.7577% (0.56 10.0 4.36 30.62) = 99.758% kept HA1 GLY 92 - HN THR 95 33.333% * 0.1762% (1.00 1.0 0.02 0.02) = 0.176% HA THR 38 - HN THR 95 33.333% * 0.0661% (0.37 1.0 0.02 0.02) = 0.066% Peak 94 (0.67, 8.78, 126.61 ppm): 7 chemical-shift based assignments, quality = 0.429, support = 3.38, residual support = 13.8: * QG2 VAL 94 - HN THR 95 14.286% * 43.5009% (0.41 4.57 20.34) = 43.501% kept HG12 ILE 19 - HN THR 95 14.286% * 27.8295% (0.45 2.68 9.77) = 27.830% kept QD1 ILE 19 - HN THR 95 14.286% * 22.4690% (0.34 2.84 9.77) = 22.469% kept QG2 ILE 48 - HN THR 95 14.286% * 5.4016% (0.94 0.25 0.02) = 5.402% kept QG1 VAL 62 - HN THR 95 14.286% * 0.4277% (0.92 0.02 0.02) = 0.428% QG2 ILE 68 - HN THR 95 14.286% * 0.1905% (0.41 0.02 0.02) = 0.190% QG2 ILE 101 - HN THR 95 14.286% * 0.1807% (0.39 0.02 0.02) = 0.181% Peak 95 (1.07, 8.78, 126.61 ppm): 1 chemical-shift based assignment, quality = 0.604, support = 4.98, residual support = 30.6: * QG2 THR 95 - HN THR 95 100.000% *100.0000% (0.60 4.98 30.62) = 100.000% kept Peak 96 (4.86, 8.78, 126.61 ppm): 2 chemical-shift based assignments, quality = 0.634, support = 2.85, residual support = 16.3: * HA THR 96 - HN THR 95 50.000% * 69.0691% (0.68 3.28 19.27) = 69.069% kept HA ILE 19 - HN THR 95 50.000% * 30.9309% (0.52 1.92 9.77) = 30.931% kept Peak 97 (4.40, 8.78, 126.61 ppm): 12 chemical-shift based assignments, quality = 0.987, support = 4.46, residual support = 30.4: * O HA THR 95 - HN THR 95 8.333% * 99.3776% (0.99 10.0 4.48 30.62) = 99.378% kept HA ASN 57 - HN THR 95 8.333% * 0.0987% (0.99 1.0 0.02 0.02) = 0.099% HA PRO 104 - HN THR 95 8.333% * 0.0987% (0.99 1.0 0.02 0.02) = 0.099% HA PRO 86 - HN THR 95 8.333% * 0.0761% (0.76 1.0 0.02 0.02) = 0.076% HA SER 88 - HN THR 95 8.333% * 0.0723% (0.72 1.0 0.02 0.02) = 0.072% HA ALA 91 - HN THR 95 8.333% * 0.0604% (0.60 1.0 0.02 0.02) = 0.060% HA HIS+ 14 - HN THR 95 8.333% * 0.0604% (0.60 1.0 0.02 0.02) = 0.060% HA SER 27 - HN THR 95 8.333% * 0.0374% (0.37 1.0 0.02 0.02) = 0.037% HA LYS+ 66 - HN THR 95 8.333% * 0.0374% (0.37 1.0 0.02 0.35) = 0.037% HA ALA 37 - HN THR 95 8.333% * 0.0340% (0.34 1.0 0.02 0.02) = 0.034% HA LYS+ 60 - HN THR 95 8.333% * 0.0248% (0.25 1.0 0.02 0.02) = 0.025% HA TRP 51 - HN THR 95 8.333% * 0.0222% (0.22 1.0 0.02 0.02) = 0.022% Peak 98 (1.84, 8.78, 126.61 ppm): 8 chemical-shift based assignments, quality = 0.54, support = 4.28, residual support = 19.5: HB VAL 94 - HN THR 95 12.500% * 95.8457% (0.56 4.47 20.34) = 95.846% kept HB2 LYS+ 66 - HN THR 95 12.500% * 0.7562% (0.99 0.02 0.35) = 0.756% HD3 LYS+ 72 - HN THR 95 12.500% * 0.6600% (0.20 0.09 0.02) = 0.660% HB3 LYS+ 60 - HN THR 95 12.500% * 0.6574% (0.86 0.02 0.02) = 0.657% * HB3 LYS+ 72 - HN THR 95 12.500% * 0.6330% (0.83 0.02 0.02) = 0.633% HB2 PRO 104 - HN THR 95 12.500% * 0.6069% (0.80 0.02 0.02) = 0.607% HB2 PRO 59 - HN THR 95 12.500% * 0.6069% (0.80 0.02 0.02) = 0.607% HG3 LYS+ 108 - HN THR 95 12.500% * 0.2339% (0.31 0.02 0.02) = 0.234% Reference assignment eliminated. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 113 (3.88, 7.75, 125.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 117 (4.48, 7.77, 125.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 2 chemical-shift based assignments, quality = 0.909, support = 4.26, residual support = 29.7: * O HA ILE 19 - HN LYS+ 20 50.000% * 98.0053% (0.92 10.0 4.32 30.28) = 98.005% kept HA THR 96 - HN LYS+ 20 50.000% * 1.9947% (0.28 1.0 1.35 1.55) = 1.995% kept Peak 125 (0.00, 8.60, 125.48 ppm): 1 chemical-shift based assignment, quality = 0.486, support = 5.43, residual support = 30.3: * QG2 ILE 19 - HN LYS+ 20 100.000% *100.0000% (0.49 5.43 30.28) = 100.000% kept Peak 126 (0.67, 8.60, 125.48 ppm): 7 chemical-shift based assignments, quality = 0.616, support = 4.2, residual support = 24.3: * HG12 ILE 19 - HN LYS+ 20 14.286% * 39.5343% (0.65 4.49 30.28) = 39.534% kept QD1 ILE 19 - HN LYS+ 20 14.286% * 39.4924% (0.53 5.52 30.28) = 39.492% kept QG2 VAL 94 - HN LYS+ 20 14.286% * 13.3545% (0.61 1.62 2.45) = 13.355% kept QG1 VAL 62 - HN LYS+ 20 14.286% * 5.3305% (1.00 0.39 0.02) = 5.330% kept QG2 ILE 48 - HN LYS+ 20 14.286% * 1.9874% (0.97 0.15 0.02) = 1.987% kept QG2 ILE 68 - HN LYS+ 20 14.286% * 0.1649% (0.61 0.02 0.14) = 0.165% QG2 ILE 101 - HN LYS+ 20 14.286% * 0.1361% (0.50 0.02 0.02) = 0.136% Peak 127 (1.35, 8.60, 125.48 ppm): 7 chemical-shift based assignments, quality = 0.724, support = 4.12, residual support = 39.5: * O HB3 LYS+ 20 - HN LYS+ 20 14.286% * 93.5342% (0.73 10.0 4.36 42.15) = 93.534% kept HB3 LEU 17 - HN LYS+ 20 14.286% * 2.6755% (0.90 1.0 0.46 0.77) = 2.675% kept HG3 ARG+ 22 - HN LYS+ 20 14.286% * 1.9133% (0.96 1.0 0.31 0.42) = 1.913% kept QG2 THR 39 - HN LYS+ 20 14.286% * 1.6159% (0.22 1.0 1.13 1.82) = 1.616% kept HG3 LYS+ 81 - HN LYS+ 20 14.286% * 0.1243% (0.96 1.0 0.02 0.02) = 0.124% QB ALA 11 - HN LYS+ 20 14.286% * 0.0885% (0.69 1.0 0.02 0.02) = 0.088% HG2 LYS+ 78 - HN LYS+ 20 14.286% * 0.0483% (0.37 1.0 0.02 0.02) = 0.048% Peak 128 (4.83, 8.60, 125.48 ppm): 3 chemical-shift based assignments, quality = 0.631, support = 1.64, residual support = 1.81: HB THR 39 - HN LYS+ 20 33.333% * 73.1309% (0.76 1.85 1.82) = 73.131% kept HA THR 96 - HN LYS+ 20 33.333% * 17.4307% (0.25 1.35 1.55) = 17.431% kept HA LEU 23 - HN LYS+ 20 33.333% * 9.4384% (0.31 0.59 2.23) = 9.438% kept Peak 129 (1.02, 8.60, 125.48 ppm): 2 chemical-shift based assignments, quality = 0.6, support = 2.81, residual support = 29.3: * HG3 LYS+ 20 - HN LYS+ 20 50.000% * 68.7504% (0.53 3.58 42.15) = 68.750% kept QG1 VAL 99 - HN LYS+ 20 50.000% * 31.2496% (0.76 1.12 0.87) = 31.250% kept Peak 130 (4.65, 8.60, 125.48 ppm): 2 chemical-shift based assignments, quality = 0.257, support = 0.02, residual support = 0.02: HA TYR 83 - HN LYS+ 20 50.000% * 66.6708% (0.31 0.02 0.02) = 66.671% kept HA ASN 89 - HN LYS+ 20 50.000% * 33.3292% (0.15 0.02 0.02) = 33.329% kept Reference assignment not found: HA LYS+ 20 - HN LYS+ 20 Not enough support, support cutoff is 0.30 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 = 1.45, residual support = 5.8: * O HA PHE 21 - HN ARG+ 22 100.000% *100.0000% (0.41 10.0 1.45 5.80) = 100.000% kept Peak 134 (1.20, 8.94, 125.29 ppm): 3 chemical-shift based assignments, quality = 0.538, support = 0.467, residual support = 0.157: HB2 LEU 67 - HN ARG+ 22 33.333% * 38.0851% (0.87 0.26 0.13) = 38.085% kept HG12 ILE 100 - HN ARG+ 22 33.333% * 36.7722% (0.41 0.54 0.02) = 36.772% kept HB2 LEU 74 - HN ARG+ 22 33.333% * 25.1427% (0.22 0.68 0.40) = 25.143% kept Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 135 (0.94, 8.94, 125.29 ppm): 10 chemical-shift based assignments, quality = 0.844, support = 1.4, residual support = 1.55: QG2 ILE 29 - HN ARG+ 22 10.000% * 29.7789% (0.73 2.78 4.59) = 29.779% kept QG1 VAL 105 - HN ARG+ 22 10.000% * 16.9927% (1.00 1.16 0.13) = 16.993% kept QG2 VAL 105 - HN ARG+ 22 10.000% * 12.2402% (0.98 0.85 0.13) = 12.240% kept QD1 LEU 17 - HN ARG+ 22 10.000% * 10.4481% (0.99 0.71 0.13) = 10.448% kept HG12 ILE 68 - HN ARG+ 22 10.000% * 9.5347% (0.80 0.81 0.11) = 9.535% kept HB2 ARG+ 84 - HN ARG+ 22 10.000% * 7.4863% (0.97 0.53 0.02) = 7.486% kept QG2 VAL 62 - HN ARG+ 22 10.000% * 5.2391% (0.87 0.41 0.02) = 5.239% kept * QG2 VAL 99 - HN ARG+ 22 10.000% * 5.0253% (0.34 1.00 2.35) = 5.025% kept QG2 VAL 73 - HN ARG+ 22 10.000% * 3.0758% (0.76 0.27 0.02) = 3.076% kept QG2 VAL 80 - HN ARG+ 22 10.000% * 0.1788% (0.61 0.02 0.02) = 0.179% Peak 136 (0.72, 8.94, 125.29 ppm): 7 chemical-shift based assignments, quality = 0.822, support = 0.404, residual support = 0.17: QD1 ILE 68 - HN ARG+ 22 14.286% * 34.5196% (0.92 0.53 0.11) = 34.520% kept HG LEU 74 - HN ARG+ 22 14.286% * 31.2628% (0.92 0.48 0.40) = 31.263% kept QG2 ILE 48 - HN ARG+ 22 14.286% * 12.3591% (0.73 0.24 0.02) = 12.359% kept QG2 THR 96 - HN ARG+ 22 14.286% * 9.6668% (0.45 0.30 0.02) = 9.667% kept HG3 LYS+ 66 - HN ARG+ 22 14.286% * 7.1472% (0.61 0.17 0.02) = 7.147% kept QG2 ILE 101 - HN ARG+ 22 14.286% * 3.6992% (0.67 0.08 0.02) = 3.699% kept QG1 VAL 40 - HN ARG+ 22 14.286% * 1.3453% (0.95 0.02 0.02) = 1.345% kept Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 137 (5.14, 8.94, 125.29 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 2.48, residual support = 6.24: * O HA ARG+ 22 - HN ARG+ 22 100.000% *100.0000% (0.61 10.0 2.48 6.24) = 100.000% kept Peak 138 (8.29, 8.94, 125.29 ppm): 5 chemical-shift based assignments, quality = 0.659, support = 0.637, residual support = 0.808: HN ASP- 28 - HN ARG+ 22 20.000% * 40.2802% (1.00 0.39 0.12) = 40.280% kept HN VAL 99 - HN ARG+ 22 20.000% * 30.7326% (0.22 1.33 2.35) = 30.733% kept HN ALA 91 - HN ARG+ 22 20.000% * 21.6628% (0.73 0.29 0.15) = 21.663% kept HN GLN 16 - HN ARG+ 22 20.000% * 5.6608% (0.31 0.18 0.02) = 5.661% kept HN ASN 89 - HN ARG+ 22 20.000% * 1.6637% (0.80 0.02 0.02) = 1.664% kept Peak 139 (1.67, 8.94, 125.29 ppm): 8 chemical-shift based assignments, quality = 0.556, support = 2.51, residual support = 5.48: * O HB3 ARG+ 22 - HN ARG+ 22 12.500% * 87.7583% (0.53 10.0 2.79 6.24) = 87.758% kept HB ILE 100 - HN ARG+ 22 12.500% * 5.7161% (0.99 1.0 0.69 0.02) = 5.716% kept HB3 LYS+ 66 - HN ARG+ 22 12.500% * 3.3807% (0.98 1.0 0.41 0.02) = 3.381% kept HG13 ILE 19 - HN ARG+ 22 12.500% * 1.1634% (0.41 1.0 0.34 0.53) = 1.163% kept HG3 ARG+ 84 - HN ARG+ 22 12.500% * 0.9824% (0.92 1.0 0.13 0.02) = 0.982% HB3 MET 97 - HN ARG+ 22 12.500% * 0.7618% (1.00 1.0 0.09 0.02) = 0.762% HB3 LYS+ 81 - HN ARG+ 22 12.500% * 0.1496% (0.90 1.0 0.02 0.02) = 0.150% HD3 LYS+ 55 - HN ARG+ 22 12.500% * 0.0878% (0.53 1.0 0.02 0.02) = 0.088% Peak 140 (1.34, 8.94, 125.29 ppm): 6 chemical-shift based assignments, quality = 0.395, support = 2.1, residual support = 4.17: * HG3 ARG+ 22 - HN ARG+ 22 16.667% * 66.0136% (0.45 2.80 6.24) = 66.014% kept QG2 THR 46 - HN ARG+ 22 16.667% * 13.8868% (0.34 0.77 0.02) = 13.887% kept HB3 LYS+ 20 - HN ARG+ 22 16.667% * 10.2304% (0.20 0.98 0.42) = 10.230% kept HB3 LEU 17 - HN ARG+ 22 16.667% * 9.2138% (0.34 0.51 0.13) = 9.214% kept HG3 LYS+ 81 - HN ARG+ 22 16.667% * 0.4713% (0.45 0.02 0.02) = 0.471% QB ALA 11 - HN ARG+ 22 16.667% * 0.1841% (0.18 0.02 0.02) = 0.184% Peak 141 (1.13, 8.19, 125.39 ppm): 4 chemical-shift based assignments, quality = 0.763, support = 3.66, residual support = 9.4: * O QB ALA 33 - HN ALA 33 25.000% * 73.5732% (0.69 10.0 3.37 7.65) = 73.573% kept HG3 LYS+ 32 - HN ALA 33 25.000% * 25.0952% (1.00 1.0 4.70 15.04) = 25.095% kept QG2 THR 61 - HN ALA 33 25.000% * 1.3128% (0.61 1.0 0.40 0.02) = 1.313% kept HG3 PRO 59 - HN ALA 33 25.000% * 0.0188% (0.17 1.0 0.02 0.02) = 0.019% Peak 142 (4.47, 8.19, 125.39 ppm): 5 chemical-shift based assignments, quality = 0.812, support = 3.23, residual support = 14.0: * O HA LYS+ 32 - HN ALA 33 20.000% * 93.1132% (0.80 10.0 3.42 15.04) = 93.113% kept HA GLN 102 - HN ALA 33 20.000% * 4.7474% (1.00 1.0 0.82 0.76) = 4.747% kept HA ILE 100 - HN ALA 33 20.000% * 2.0283% (1.00 1.0 0.35 0.10) = 2.028% kept HA GLU- 50 - HN ALA 33 20.000% * 0.0752% (0.65 1.0 0.02 0.02) = 0.075% HA SER 77 - HN ALA 33 20.000% * 0.0359% (0.31 1.0 0.02 0.02) = 0.036% Peak 143 (1.58, 8.19, 125.39 ppm): 11 chemical-shift based assignments, quality = 0.675, support = 2.99, residual support = 11.7: * HB3 LYS+ 32 - HN ALA 33 9.091% * 59.6812% (0.73 3.95 15.04) = 59.681% kept HD3 LYS+ 32 - HN ALA 33 9.091% * 16.7232% (0.25 3.22 15.04) = 16.723% kept HB ILE 19 - HN ALA 33 9.091% * 10.2736% (0.92 0.53 0.82) = 10.274% kept HD3 LYS+ 60 - HN ALA 33 9.091% * 6.1891% (0.83 0.36 0.31) = 6.189% kept HG LEU 17 - HN ALA 33 9.091% * 6.0166% (0.90 0.32 1.64) = 6.017% kept HD3 LYS+ 81 - HN ALA 33 9.091% * 0.3183% (0.76 0.02 0.02) = 0.318% QB ALA 42 - HN ALA 33 9.091% * 0.2027% (0.49 0.02 0.02) = 0.203% HG12 ILE 29 - HN ALA 33 9.091% * 0.2027% (0.49 0.02 0.02) = 0.203% HB3 LEU 90 - HN ALA 33 9.091% * 0.1712% (0.41 0.02 0.02) = 0.171% HG13 ILE 29 - HN ALA 33 9.091% * 0.1286% (0.31 0.02 0.02) = 0.129% QG2 THR 24 - HN ALA 33 9.091% * 0.0927% (0.22 0.02 0.02) = 0.093% 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): 2 chemical-shift based assignments, quality = 0.329, support = 0.741, residual support = 1.27: HA ILE 101 - HN ALA 33 50.000% * 94.4740% (0.34 0.78 1.34) = 94.474% kept HA HIS+ 98 - HN ALA 33 50.000% * 5.5260% (0.14 0.11 0.02) = 5.526% kept Reference assignment not found: HA ALA 33 - HN ALA 33 Peak 146 (1.28, 8.19, 125.39 ppm): 6 chemical-shift based assignments, quality = 0.737, support = 2.36, residual support = 9.65: * HG2 LYS+ 32 - HN ALA 33 16.667% * 61.8901% (0.65 3.41 15.04) = 61.890% kept HG13 ILE 101 - HN ALA 33 16.667% * 24.3154% (0.99 0.87 1.34) = 24.315% kept HG2 LYS+ 81 - HN ALA 33 16.667% * 6.6266% (0.96 0.24 0.02) = 6.627% kept QB ALA 103 - HN ALA 33 16.667% * 6.2491% (0.53 0.42 0.20) = 6.249% kept HB3 LEU 74 - HN ALA 33 16.667% * 0.4691% (0.83 0.02 0.53) = 0.469% HB2 LYS+ 55 - HN ALA 33 16.667% * 0.4497% (0.80 0.02 0.02) = 0.450% Peak 147 (8.78, 8.19, 125.39 ppm): 4 chemical-shift based assignments, quality = 0.499, support = 2.18, residual support = 5.88: * HN PHE 34 - HN ALA 33 25.000% * 96.1156% (0.49 2.27 6.12) = 96.116% kept HN THR 95 - HN ALA 33 25.000% * 1.7384% (1.00 0.02 0.02) = 1.738% kept HN SER 69 - HN ALA 33 25.000% * 1.6083% (0.92 0.02 0.02) = 1.608% kept HN VAL 62 - HN ALA 33 25.000% * 0.5377% (0.31 0.02 0.02) = 0.538% Peak 153 (4.27, 8.29, 124.59 ppm): 17 chemical-shift based assignments, quality = 0.813, support = 2.25, residual support = 7.88: * O HA LEU 90 - HN ALA 91 5.882% * 97.5336% (0.82 10.0 2.30 8.08) = 97.534% kept HD3 PRO 59 - HN ALA 91 5.882% * 1.4567% (0.91 1.0 0.27 0.02) = 1.457% kept HA VAL 94 - HN ALA 91 5.882% * 0.1088% (0.91 1.0 0.02 0.02) = 0.109% HA ARG+ 84 - HN ALA 91 5.882% * 0.1085% (0.91 1.0 0.02 0.02) = 0.109% HA SER 85 - HN ALA 91 5.882% * 0.1085% (0.91 1.0 0.02 0.02) = 0.109% HA PRO 52 - HN ALA 91 5.882% * 0.1085% (0.91 1.0 0.02 0.02) = 0.109% HA VAL 65 - HN ALA 91 5.882% * 0.1066% (0.90 1.0 0.02 0.02) = 0.107% HA GLU- 64 - HN ALA 91 5.882% * 0.0831% (0.70 1.0 0.02 0.02) = 0.083% HA GLU- 75 - HN ALA 91 5.882% * 0.0790% (0.66 1.0 0.02 0.02) = 0.079% HA THR 106 - HN ALA 91 5.882% * 0.0660% (0.55 1.0 0.02 0.02) = 0.066% HA GLU- 56 - HN ALA 91 5.882% * 0.0488% (0.41 1.0 0.02 0.02) = 0.049% HA GLU- 107 - HN ALA 91 5.882% * 0.0447% (0.38 1.0 0.02 0.02) = 0.045% HA ASN 76 - HN ALA 91 5.882% * 0.0408% (0.34 1.0 0.02 0.02) = 0.041% HA ASP- 36 - HN ALA 91 5.882% * 0.0371% (0.31 1.0 0.02 0.02) = 0.037% HA ALA 11 - HN ALA 91 5.882% * 0.0336% (0.28 1.0 0.02 0.02) = 0.034% HB3 SER 49 - HN ALA 91 5.882% * 0.0190% (0.16 1.0 0.02 0.02) = 0.019% HA PRO 59 - HN ALA 91 5.882% * 0.0168% (0.14 1.0 0.02 0.02) = 0.017% Peak 154 (1.37, 8.29, 124.59 ppm): 9 chemical-shift based assignments, quality = 0.774, support = 0.61, residual support = 0.135: HB3 LEU 17 - HN ALA 91 11.111% * 38.6270% (0.82 0.91 0.22) = 38.627% kept HG3 ARG+ 22 - HN ALA 91 11.111% * 22.2296% (0.73 0.59 0.15) = 22.230% kept QB ALA 11 - HN ALA 91 11.111% * 20.1058% (0.91 0.43 0.02) = 20.106% kept HG3 LYS+ 81 - HN ALA 91 11.111% * 8.2661% (0.73 0.22 0.12) = 8.266% kept HB3 LYS+ 20 - HN ALA 91 11.111% * 4.9034% (0.91 0.10 0.02) = 4.903% kept HD3 LYS+ 20 - HN ALA 91 11.111% * 3.8397% (0.16 0.46 0.02) = 3.840% kept HG2 LYS+ 78 - HN ALA 91 11.111% * 0.8464% (0.82 0.02 0.02) = 0.846% QG2 THR 39 - HN ALA 91 11.111% * 0.6853% (0.66 0.02 0.02) = 0.685% HG13 ILE 68 - HN ALA 91 11.111% * 0.4966% (0.48 0.02 0.02) = 0.497% 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 = 0.752, support = 1.57, residual support = 4.29: * HB3 LEU 90 - HN ALA 91 11.111% * 51.8987% (0.84 2.35 8.08) = 51.899% kept HG13 ILE 29 - HN ALA 91 11.111% * 15.1967% (0.90 0.65 0.24) = 15.197% kept HG12 ILE 29 - HN ALA 91 11.111% * 13.7376% (0.79 0.66 0.24) = 13.738% kept HB ILE 19 - HN ALA 91 11.111% * 10.3954% (0.38 1.06 0.11) = 10.395% kept HG LEU 17 - HN ALA 91 11.111% * 7.3381% (0.41 0.69 0.22) = 7.338% kept QG2 THR 24 - HN ALA 91 11.111% * 0.4778% (0.91 0.02 0.02) = 0.478% QB ALA 42 - HN ALA 91 11.111% * 0.4144% (0.79 0.02 0.02) = 0.414% HD3 LYS+ 81 - HN ALA 91 11.111% * 0.2898% (0.55 0.02 0.12) = 0.290% HD3 LYS+ 60 - HN ALA 91 11.111% * 0.2514% (0.48 0.02 0.02) = 0.251% Peak 156 (0.84, 8.29, 124.59 ppm): 8 chemical-shift based assignments, quality = 0.423, support = 1.5, residual support = 4.37: * QD1 LEU 90 - HN ALA 91 12.500% * 31.6941% (0.31 2.13 8.08) = 31.694% kept QD2 LEU 90 - HN ALA 91 12.500% * 21.3946% (0.18 2.48 8.08) = 21.395% kept QD1 ILE 29 - HN ALA 91 12.500% * 19.8405% (0.70 0.60 0.24) = 19.841% kept QD2 LEU 17 - HN ALA 91 12.500% * 13.1534% (0.25 1.08 0.22) = 13.153% kept QG2 VAL 13 - HN ALA 91 12.500% * 12.5566% (0.91 0.29 0.02) = 12.557% kept QG1 VAL 13 - HN ALA 91 12.500% * 0.6668% (0.70 0.02 0.02) = 0.667% QG1 VAL 94 - HN ALA 91 12.500% * 0.4247% (0.44 0.02 0.02) = 0.425% QG2 ILE 100 - HN ALA 91 12.500% * 0.2693% (0.28 0.02 0.02) = 0.269% 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): 10 chemical-shift based assignments, quality = 0.225, support = 0.572, residual support = 0.532: HB2 GLU- 45 - HN ALA 11 10.000% * 49.9673% (0.28 0.72 0.87) = 49.967% kept HG3 PRO 86 - HN ALA 11 10.000% * 21.7495% (0.20 0.44 0.02) = 21.750% kept HB3 GLU- 75 - HN ALA 11 10.000% * 14.4450% (0.24 0.24 0.02) = 14.445% kept HB3 GLU- 45 - HN ALA 11 10.000% * 10.4364% (0.05 0.77 0.87) = 10.436% kept HB VAL 62 - HN ALA 11 10.000% * 1.1176% (0.22 0.02 0.02) = 1.118% kept HB ILE 101 - HN ALA 11 10.000% * 0.9335% (0.19 0.02 0.02) = 0.934% HG3 GLU- 64 - HN ALA 11 10.000% * 0.6041% (0.12 0.02 0.02) = 0.604% HB3 PRO 35 - HN ALA 11 10.000% * 0.2733% (0.05 0.02 0.02) = 0.273% HB3 GLU- 54 - HN ALA 11 10.000% * 0.2375% (0.05 0.02 0.02) = 0.237% HA1 GLY 58 - HN ALA 11 10.000% * 0.2359% (0.05 0.02 0.02) = 0.236% Reference assignment not found: HB3 GLU- 10 - HN ALA 11 Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 161 (4.79, 8.97, 124.78 ppm): 9 chemical-shift based assignments, quality = 0.529, support = 1.56, residual support = 0.671: HA LEU 23 - HN ILE 19 11.111% * 41.6513% (0.75 1.84 1.16) = 41.651% kept HA ASN 15 - HN LEU 17 11.111% * 16.0118% (0.27 1.94 0.29) = 16.012% kept HB THR 39 - HN ILE 19 11.111% * 14.6656% (0.30 1.60 0.70) = 14.666% kept HA ASN 15 - HN ILE 19 11.111% * 13.1343% (0.71 0.61 0.14) = 13.134% kept HA LEU 23 - HN LEU 17 11.111% * 10.9763% (0.29 1.26 0.19) = 10.976% kept HB THR 39 - HN LEU 17 11.111% * 3.0795% (0.12 0.88 0.02) = 3.080% kept HA LEU 23 - HN THR 96 11.111% * 0.2044% (0.34 0.02 0.02) = 0.204% HA ASN 15 - HN THR 96 11.111% * 0.1942% (0.32 0.02 0.02) = 0.194% HB THR 39 - HN THR 96 11.111% * 0.0826% (0.14 0.02 0.02) = 0.083% Peak 162 (1.57, 8.97, 124.78 ppm): 30 chemical-shift based assignments, quality = 0.871, support = 4.83, residual support = 78.6: O HB ILE 19 - HN ILE 19 3.333% * 78.4808% (0.97 10.0 5.39 90.57) = 78.481% kept HG LEU 17 - HN LEU 17 3.333% * 8.1959% (0.38 1.0 5.40 89.64) = 8.196% kept HG LEU 17 - HN ILE 19 3.333% * 3.6858% (0.98 1.0 0.93 1.73) = 3.686% kept HB ILE 19 - HN LEU 17 3.333% * 3.0255% (0.37 1.0 2.01 1.73) = 3.026% kept HB3 LYS+ 32 - HN ILE 19 3.333% * 2.3119% (0.40 1.0 1.42 1.57) = 2.312% kept * HB ILE 19 - HN THR 96 3.333% * 2.2427% (0.44 1.0 1.27 2.53) = 2.243% kept HD3 LYS+ 60 - HN ILE 19 3.333% * 1.1247% (0.98 1.0 0.28 0.02) = 1.125% kept HB3 LYS+ 32 - HN LEU 17 3.333% * 0.1764% (0.15 1.0 0.28 0.21) = 0.176% HD3 LYS+ 81 - HN ILE 19 3.333% * 0.0776% (0.96 1.0 0.02 0.02) = 0.078% QB ALA 42 - HN ILE 19 3.333% * 0.0634% (0.78 1.0 0.02 0.02) = 0.063% HG12 ILE 29 - HN ILE 19 3.333% * 0.0634% (0.78 1.0 0.02 0.02) = 0.063% HB3 LEU 90 - HN ILE 19 3.333% * 0.0575% (0.71 1.0 0.02 0.80) = 0.057% HG13 ILE 29 - HN ILE 19 3.333% * 0.0480% (0.59 1.0 0.02 0.02) = 0.048% QG2 THR 24 - HN ILE 19 3.333% * 0.0385% (0.48 1.0 0.02 0.02) = 0.039% HD3 LYS+ 60 - HN THR 96 3.333% * 0.0357% (0.44 1.0 0.02 0.60) = 0.036% HG LEU 17 - HN THR 96 3.333% * 0.0357% (0.44 1.0 0.02 0.02) = 0.036% HD3 LYS+ 81 - HN THR 96 3.333% * 0.0351% (0.43 1.0 0.02 0.02) = 0.035% HD3 LYS+ 60 - HN LEU 17 3.333% * 0.0303% (0.38 1.0 0.02 0.02) = 0.030% HD3 LYS+ 81 - HN LEU 17 3.333% * 0.0298% (0.37 1.0 0.02 0.02) = 0.030% QB ALA 42 - HN THR 96 3.333% * 0.0286% (0.35 1.0 0.02 0.02) = 0.029% HG12 ILE 29 - HN THR 96 3.333% * 0.0286% (0.35 1.0 0.02 0.02) = 0.029% HB3 LEU 90 - HN THR 96 3.333% * 0.0260% (0.32 1.0 0.02 0.02) = 0.026% HG12 ILE 29 - HN LEU 17 3.333% * 0.0244% (0.30 1.0 0.02 11.28) = 0.024% QB ALA 42 - HN LEU 17 3.333% * 0.0244% (0.30 1.0 0.02 0.02) = 0.024% HB3 LEU 90 - HN LEU 17 3.333% * 0.0221% (0.27 1.0 0.02 0.19) = 0.022% HG13 ILE 29 - HN THR 96 3.333% * 0.0217% (0.27 1.0 0.02 0.02) = 0.022% HG13 ILE 29 - HN LEU 17 3.333% * 0.0184% (0.23 1.0 0.02 11.28) = 0.018% QG2 THR 24 - HN THR 96 3.333% * 0.0174% (0.22 1.0 0.02 0.02) = 0.017% QG2 THR 24 - HN LEU 17 3.333% * 0.0148% (0.18 1.0 0.02 0.02) = 0.015% HB3 LYS+ 32 - HN THR 96 3.333% * 0.0147% (0.18 1.0 0.02 0.02) = 0.015% Peak 163 (4.88, 8.97, 124.78 ppm): 6 chemical-shift based assignments, quality = 0.779, support = 4.98, residual support = 76.4: O HA ILE 19 - HN ILE 19 16.667% * 81.2253% (0.90 10.0 5.28 90.57) = 81.225% kept O HA THR 96 - HN THR 96 16.667% * 11.0520% (0.12 10.0 4.54 23.67) = 11.052% kept HA ILE 19 - HN THR 96 16.667% * 5.2559% (0.41 1.0 2.86 2.53) = 5.256% kept HA ILE 19 - HN LEU 17 16.667% * 2.4330% (0.35 1.0 1.56 1.73) = 2.433% kept HA THR 96 - HN ILE 19 16.667% * 0.0245% (0.27 1.0 0.02 2.53) = 0.024% HA THR 96 - HN LEU 17 16.667% * 0.0094% (0.10 1.0 0.02 0.02) = 0.009% Peak 164 (8.97, 8.97, 124.78 ppm): 3 diagonal assignments: * HN ILE 19 - HN ILE 19 (0.98) kept HN LEU 17 - HN LEU 17 (0.23) kept HN THR 96 - HN THR 96 (0.08) kept Peak 165 (0.89, 8.97, 124.78 ppm): 21 chemical-shift based assignments, quality = 0.696, support = 0.448, residual support = 0.0413: QG2 VAL 40 - HN ILE 19 4.762% * 22.6916% (0.85 0.66 0.02) = 22.692% kept QG1 VAL 80 - HN ILE 19 4.762% * 19.7138% (0.98 0.50 0.02) = 19.714% kept QG1 VAL 47 - HN ILE 19 4.762% * 16.2171% (0.78 0.51 0.11) = 16.217% kept QG2 VAL 87 - HN ILE 19 4.762% * 8.4714% (0.85 0.25 0.02) = 8.471% kept QG1 VAL 47 - HN LEU 17 4.762% * 5.3734% (0.30 0.44 0.16) = 5.373% kept QD1 LEU 67 - HN LEU 17 4.762% * 5.1776% (0.27 0.47 0.02) = 5.178% kept QG2 VAL 87 - HN LEU 17 4.762% * 4.2983% (0.33 0.32 0.02) = 4.298% kept QG2 VAL 40 - HN LEU 17 4.762% * 4.1424% (0.33 0.31 0.02) = 4.142% kept QD1 LEU 67 - HN ILE 19 4.762% * 2.8283% (0.71 0.10 0.02) = 2.828% kept QD1 LEU 67 - HN THR 96 4.762% * 2.7304% (0.32 0.21 0.02) = 2.730% kept QG1 VAL 80 - HN THR 96 4.762% * 2.4381% (0.44 0.14 0.02) = 2.438% kept QG2 ILE 100 - HN THR 96 4.762% * 1.7482% (0.10 0.44 0.02) = 1.748% kept QG2 VAL 40 - HN THR 96 4.762% * 1.7346% (0.38 0.11 0.02) = 1.735% kept QG1 VAL 80 - HN LEU 17 4.762% * 1.3017% (0.38 0.09 0.02) = 1.302% kept QG2 VAL 87 - HN THR 96 4.762% * 0.3116% (0.38 0.02 0.02) = 0.312% QG1 VAL 47 - HN THR 96 4.762% * 0.2876% (0.35 0.02 0.02) = 0.288% QG2 ILE 100 - HN ILE 19 4.762% * 0.1770% (0.22 0.02 0.02) = 0.177% QD1 LEU 90 - HN ILE 19 4.762% * 0.1574% (0.19 0.02 0.80) = 0.157% QD1 LEU 90 - HN THR 96 4.762% * 0.0711% (0.09 0.02 0.02) = 0.071% QG2 ILE 100 - HN LEU 17 4.762% * 0.0680% (0.08 0.02 0.02) = 0.068% QD1 LEU 90 - HN LEU 17 4.762% * 0.0604% (0.07 0.02 0.19) = 0.060% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 166 (1.12, 8.97, 124.78 ppm): 12 chemical-shift based assignments, quality = 0.583, support = 1.48, residual support = 0.862: HG3 LYS+ 32 - HN ILE 19 8.333% * 28.3400% (0.67 1.80 1.57) = 28.340% kept QG2 THR 61 - HN ILE 19 8.333% * 24.5481% (0.98 1.08 0.35) = 24.548% kept QG2 THR 79 - HN ILE 19 8.333% * 15.7627% (0.48 1.42 1.04) = 15.763% kept HG3 LYS+ 32 - HN LEU 17 8.333% * 8.7749% (0.26 1.45 0.21) = 8.775% kept QB ALA 33 - HN ILE 19 8.333% * 8.1242% (0.19 1.80 0.82) = 8.124% kept QG2 THR 61 - HN LEU 17 8.333% * 7.0870% (0.38 0.81 0.02) = 7.087% kept QB ALA 33 - HN LEU 17 8.333% * 5.1011% (0.07 2.93 1.64) = 5.101% kept QG2 THR 61 - HN THR 96 8.333% * 1.8931% (0.44 0.18 0.02) = 1.893% kept HG3 LYS+ 32 - HN THR 96 8.333% * 0.1419% (0.30 0.02 0.02) = 0.142% QG2 THR 79 - HN THR 96 8.333% * 0.1006% (0.22 0.02 0.02) = 0.101% QG2 THR 79 - HN LEU 17 8.333% * 0.0855% (0.18 0.02 0.02) = 0.086% QB ALA 33 - HN THR 96 8.333% * 0.0409% (0.09 0.02 0.02) = 0.041% Peak 167 (0.67, 8.97, 124.78 ppm): 21 chemical-shift based assignments, quality = 0.424, support = 3.85, residual support = 48.0: HG12 ILE 19 - HN ILE 19 4.762% * 29.6881% (0.48 6.14 90.57) = 29.688% kept QD1 ILE 19 - HN ILE 19 4.762% * 22.6745% (0.37 6.08 90.57) = 22.674% kept QG2 ILE 48 - HN ILE 19 4.762% * 8.0880% (0.93 0.85 0.02) = 8.088% kept QG2 VAL 94 - HN ILE 19 4.762% * 7.4627% (0.44 1.68 0.17) = 7.463% kept HG12 ILE 19 - HN THR 96 4.762% * 4.6933% (0.22 2.15 2.53) = 4.693% kept HG12 ILE 19 - HN LEU 17 4.762% * 4.0316% (0.18 2.17 1.73) = 4.032% kept QD1 ILE 19 - HN THR 96 4.762% * 3.5529% (0.17 2.11 2.53) = 3.553% kept QG2 VAL 94 - HN THR 96 4.762% * 3.2438% (0.20 1.61 0.63) = 3.244% kept QG2 ILE 101 - HN ILE 19 4.762% * 2.8193% (0.40 0.69 0.02) = 2.819% kept QG1 VAL 62 - HN ILE 19 4.762% * 2.6826% (0.93 0.29 0.02) = 2.683% kept QG2 VAL 94 - HN LEU 17 4.762% * 2.6673% (0.17 1.56 8.81) = 2.667% kept QD1 ILE 19 - HN LEU 17 4.762% * 2.4802% (0.14 1.73 1.73) = 2.480% kept QG2 ILE 48 - HN LEU 17 4.762% * 2.2869% (0.36 0.63 0.02) = 2.287% kept QG2 ILE 48 - HN THR 96 4.762% * 1.9316% (0.42 0.45 1.32) = 1.932% kept QG2 ILE 101 - HN THR 96 4.762% * 0.9521% (0.18 0.52 0.02) = 0.952% QG1 VAL 62 - HN LEU 17 4.762% * 0.3537% (0.36 0.10 0.02) = 0.354% QG2 ILE 68 - HN THR 96 4.762% * 0.1519% (0.20 0.08 0.02) = 0.152% QG2 ILE 68 - HN ILE 19 4.762% * 0.0890% (0.44 0.02 0.02) = 0.089% QG1 VAL 62 - HN THR 96 4.762% * 0.0849% (0.42 0.02 0.02) = 0.085% QG2 ILE 68 - HN LEU 17 4.762% * 0.0342% (0.17 0.02 0.02) = 0.034% QG2 ILE 101 - HN LEU 17 4.762% * 0.0314% (0.15 0.02 0.02) = 0.031% Peak 168 (2.02, 8.97, 124.78 ppm): 33 chemical-shift based assignments, quality = 0.743, support = 2.21, residual support = 8.87: HB2 GLU- 18 - HN ILE 19 3.030% * 51.9996% (0.90 2.95 8.02) = 52.000% kept HB3 PRO 31 - HN ILE 19 3.030% * 19.9280% (0.90 1.13 0.22) = 19.928% kept HB2 GLU- 18 - HN LEU 17 3.030% * 17.2310% (0.35 2.54 26.99) = 17.231% kept HB2 GLU- 18 - HN THR 96 3.030% * 2.5829% (0.41 0.32 0.02) = 2.583% kept HB2 HIS+ 14 - HN ILE 19 3.030% * 1.8072% (0.82 0.11 0.02) = 1.807% kept HB3 GLU- 75 - HN THR 96 3.030% * 1.3544% (0.17 0.40 0.02) = 1.354% kept HB3 PRO 31 - HN LEU 17 3.030% * 1.3131% (0.35 0.19 0.02) = 1.313% kept HB3 GLU- 107 - HN ILE 19 3.030% * 0.3815% (0.98 0.02 0.02) = 0.381% HB3 GLU- 10 - HN ILE 19 3.030% * 0.3316% (0.85 0.02 0.02) = 0.332% HB3 GLU- 54 - HN ILE 19 3.030% * 0.2922% (0.75 0.02 0.02) = 0.292% HG2 PRO 86 - HN ILE 19 3.030% * 0.2922% (0.75 0.02 0.02) = 0.292% HB3 GLU- 45 - HN ILE 19 3.030% * 0.2776% (0.71 0.02 0.02) = 0.278% HB3 GLU- 107 - HN THR 96 3.030% * 0.1723% (0.44 0.02 0.02) = 0.172% HB3 PRO 31 - HN THR 96 3.030% * 0.1594% (0.41 0.02 0.02) = 0.159% HB3 GLU- 10 - HN THR 96 3.030% * 0.1498% (0.38 0.02 0.02) = 0.150% HB3 GLU- 75 - HN ILE 19 3.030% * 0.1488% (0.38 0.02 0.02) = 0.149% HB3 GLU- 107 - HN LEU 17 3.030% * 0.1465% (0.38 0.02 0.02) = 0.147% HB2 HIS+ 14 - HN THR 96 3.030% * 0.1443% (0.37 0.02 0.02) = 0.144% HB3 GLU- 54 - HN THR 96 3.030% * 0.1320% (0.34 0.02 0.02) = 0.132% HG2 PRO 86 - HN THR 96 3.030% * 0.1320% (0.34 0.02 4.49) = 0.132% HB3 GLU- 10 - HN LEU 17 3.030% * 0.1274% (0.33 0.02 0.12) = 0.127% HB3 GLU- 45 - HN THR 96 3.030% * 0.1254% (0.32 0.02 0.02) = 0.125% HB2 HIS+ 14 - HN LEU 17 3.030% * 0.1227% (0.31 0.02 0.02) = 0.123% HB3 GLU- 54 - HN LEU 17 3.030% * 0.1122% (0.29 0.02 0.02) = 0.112% HG2 PRO 86 - HN LEU 17 3.030% * 0.1122% (0.29 0.02 0.02) = 0.112% HB3 GLU- 45 - HN LEU 17 3.030% * 0.1066% (0.27 0.02 0.02) = 0.107% HG3 PRO 86 - HN ILE 19 3.030% * 0.0851% (0.22 0.02 0.02) = 0.085% HB3 GLU- 75 - HN LEU 17 3.030% * 0.0571% (0.15 0.02 0.02) = 0.057% HG3 GLU- 64 - HN ILE 19 3.030% * 0.0565% (0.14 0.02 0.02) = 0.056% HG3 PRO 86 - HN THR 96 3.030% * 0.0385% (0.10 0.02 4.49) = 0.038% HG3 PRO 86 - HN LEU 17 3.030% * 0.0327% (0.08 0.02 0.02) = 0.033% HG3 GLU- 64 - HN THR 96 3.030% * 0.0255% (0.07 0.02 0.73) = 0.026% HG3 GLU- 64 - HN LEU 17 3.030% * 0.0217% (0.06 0.02 0.02) = 0.022% 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): 4 chemical-shift based assignments, quality = 0.722, support = 3.7, residual support = 69.9: O HB2 TRP 51 - HN TRP 51 25.000% * 87.2681% (0.68 10.0 3.95 79.96) = 87.268% kept * HD2 PRO 52 - HN TRP 51 25.000% * 12.6115% (1.00 1.0 1.99 1.08) = 12.611% kept HA LYS+ 81 - HN TRP 51 25.000% * 0.0771% (0.60 1.0 0.02 0.02) = 0.077% HB3 SER 69 - HN TRP 51 25.000% * 0.0433% (0.34 1.0 0.02 0.02) = 0.043% Peak 171 (3.02, 7.21, 124.79 ppm): 2 chemical-shift based assignments, quality = 0.68, support = 0.281, residual support = 2.46: HA1 GLY 58 - HN TRP 51 50.000% * 55.7337% (0.44 0.39 4.39) = 55.734% kept HB3 HIS+ 14 - HN TRP 51 50.000% * 44.2663% (0.99 0.14 0.02) = 44.266% kept Reference assignment not found: HB2 TRP 51 - HN TRP 51 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 172 (8.33, 7.21, 124.79 ppm): 5 chemical-shift based assignments, quality = 0.958, support = 3.5, residual support = 7.47: * T HN GLU- 50 - HN TRP 51 20.000% * 99.8154% (0.96 10.00 3.51 7.48) = 99.815% kept HN ASN 76 - HN TRP 51 20.000% * 0.0790% (0.76 1.00 0.02 0.02) = 0.079% HN ALA 103 - HN TRP 51 20.000% * 0.0425% (0.41 1.00 0.02 0.02) = 0.043% HN VAL 99 - HN TRP 51 20.000% * 0.0425% (0.41 1.00 0.02 0.02) = 0.043% HN LYS+ 108 - HN TRP 51 20.000% * 0.0205% (0.20 1.00 0.02 0.02) = 0.020% Peak 173 (4.38, 7.21, 124.79 ppm): 12 chemical-shift based assignments, quality = 0.747, support = 3.85, residual support = 78.5: * O HA TRP 51 - HN TRP 51 8.333% * 98.2237% (0.76 10.0 3.92 79.96) = 98.224% kept HA ASN 57 - HN TRP 51 8.333% * 0.8851% (0.68 1.0 0.20 0.02) = 0.885% HA ALA 91 - HN TRP 51 8.333% * 0.1285% (1.00 1.0 0.02 0.02) = 0.129% HA SER 88 - HN TRP 51 8.333% * 0.1260% (0.98 1.0 0.02 0.02) = 0.126% HA SER 27 - HN TRP 51 8.333% * 0.1186% (0.92 1.0 0.02 0.02) = 0.119% HA ALA 37 - HN TRP 51 8.333% * 0.1153% (0.89 1.0 0.02 0.02) = 0.115% HA LYS+ 60 - HN TRP 51 8.333% * 0.1029% (0.80 1.0 0.02 0.02) = 0.103% HA THR 95 - HN TRP 51 8.333% * 0.0831% (0.64 1.0 0.02 0.02) = 0.083% HB THR 61 - HN TRP 51 8.333% * 0.0676% (0.52 1.0 0.02 0.02) = 0.068% HA PRO 104 - HN TRP 51 8.333% * 0.0676% (0.52 1.0 0.02 0.02) = 0.068% HA2 GLY 26 - HN TRP 51 8.333% * 0.0528% (0.41 1.0 0.02 0.02) = 0.053% HA PRO 86 - HN TRP 51 8.333% * 0.0286% (0.22 1.0 0.02 0.02) = 0.029% Peak 174 (2.34, 7.21, 124.79 ppm): 5 chemical-shift based assignments, quality = 0.449, support = 0.922, residual support = 5.63: * HG3 GLU- 50 - HN TRP 51 20.000% * 58.6536% (0.37 1.33 7.48) = 58.654% kept HA1 GLY 58 - HN TRP 51 20.000% * 28.1826% (0.61 0.39 4.39) = 28.183% kept HB3 PRO 86 - HN TRP 51 20.000% * 9.0062% (0.25 0.31 0.02) = 9.006% kept HB3 PRO 35 - HN TRP 51 20.000% * 2.2800% (0.97 0.02 0.02) = 2.280% kept HB2 TYR 83 - HN TRP 51 20.000% * 1.8777% (0.80 0.02 0.02) = 1.878% kept Peak 175 (7.47, 7.21, 124.79 ppm): 1 chemical-shift based assignment, quality = 0.373, support = 3.66, residual support = 80.0: * HE3 TRP 51 - HN TRP 51 100.000% *100.0000% (0.37 3.66 79.96) = 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: HB3 TRP 51 - HN TRP 51 Peak unassigned. Peak 178 (4.94, 9.47, 124.72 ppm): 4 chemical-shift based assignments, quality = 0.761, support = 2.63, residual support = 19.9: * O HA HIS+ 98 - HN HIS+ 98 25.000% * 78.6251% (0.89 10.0 2.85 24.66) = 78.625% kept O HA MET 97 - HN HIS+ 98 25.000% * 19.0845% (0.22 10.0 1.96 2.64) = 19.084% kept HA ILE 101 - HN HIS+ 98 25.000% * 2.2408% (0.99 1.0 0.51 0.11) = 2.241% kept HA ALA 33 - HN HIS+ 98 25.000% * 0.0496% (0.56 1.0 0.02 0.02) = 0.050% Peak 179 (2.91, 9.47, 124.72 ppm): 5 chemical-shift based assignments, quality = 0.912, support = 2.75, residual support = 24.5: * O HB2 HIS+ 98 - HN HIS+ 98 20.000% * 99.3105% (0.92 10.0 2.77 24.66) = 99.310% kept HA1 GLY 58 - HN HIS+ 98 20.000% * 0.4229% (0.67 1.0 0.12 0.02) = 0.423% HE3 LYS+ 81 - HN HIS+ 98 20.000% * 0.1076% (1.00 1.0 0.02 0.26) = 0.108% HB3 ASN 57 - HN HIS+ 98 20.000% * 0.1066% (0.99 1.0 0.02 0.02) = 0.107% HE3 LYS+ 60 - HN HIS+ 98 20.000% * 0.0524% (0.48 1.0 0.02 0.02) = 0.052% Peak 180 (1.64, 9.47, 124.72 ppm): 11 chemical-shift based assignments, quality = 0.595, support = 2.38, residual support = 5.16: HB3 ARG+ 22 - HN HIS+ 98 9.091% * 31.4212% (0.96 1.77 3.14) = 31.421% kept HG LEU 23 - HN HIS+ 98 9.091% * 24.2259% (0.52 2.50 4.09) = 24.226% kept HB ILE 68 - HN HIS+ 98 9.091% * 21.9772% (0.41 2.90 12.21) = 21.977% kept * HB3 MET 97 - HN HIS+ 98 9.091% * 18.8856% (0.34 3.01 2.64) = 18.886% kept HB ILE 100 - HN HIS+ 98 9.091% * 2.7840% (0.45 0.34 0.02) = 2.784% kept HB3 LYS+ 66 - HN HIS+ 98 9.091% * 0.1793% (0.48 0.02 0.37) = 0.179% HG12 ILE 101 - HN HIS+ 98 9.091% * 0.1651% (0.45 0.02 0.11) = 0.165% HG LEU 43 - HN HIS+ 98 9.091% * 0.1514% (0.41 0.02 0.02) = 0.151% HG3 LYS+ 78 - HN HIS+ 98 9.091% * 0.0729% (0.20 0.02 0.02) = 0.073% HG3 ARG+ 84 - HN HIS+ 98 9.091% * 0.0729% (0.20 0.02 0.02) = 0.073% HB3 LYS+ 81 - HN HIS+ 98 9.091% * 0.0645% (0.17 0.02 0.26) = 0.065% Peak 181 (8.87, 9.47, 124.72 ppm): 2 chemical-shift based assignments, quality = 0.941, support = 2.67, residual support = 12.2: T HN ILE 68 - HN HIS+ 98 50.000% * 99.9233% (0.94 10.00 2.68 12.21) = 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): 6 chemical-shift based assignments, quality = 0.639, support = 2.81, residual support = 24.5: * O HB3 HIS+ 98 - HN HIS+ 98 16.667% * 99.3398% (0.64 10.0 2.83 24.66) = 99.340% kept HA1 GLY 58 - HN HIS+ 98 16.667% * 0.2326% (0.26 1.0 0.12 0.02) = 0.233% HE3 LYS+ 108 - HN HIS+ 98 16.667% * 0.1532% (0.99 1.0 0.02 0.02) = 0.153% HE3 LYS+ 72 - HN HIS+ 98 16.667% * 0.1522% (0.99 1.0 0.02 0.02) = 0.152% HD2 ARG+ 53 - HN HIS+ 98 16.667% * 0.0747% (0.48 1.0 0.02 0.02) = 0.075% HB3 ASP- 25 - HN HIS+ 98 16.667% * 0.0474% (0.31 1.0 0.02 0.02) = 0.047% Peak 183 (4.80, 9.47, 124.72 ppm): 3 chemical-shift based assignments, quality = 0.981, support = 0.709, residual support = 3.97: HA LEU 23 - HN HIS+ 98 33.333% * 97.2152% (0.99 0.73 4.09) = 97.215% kept HB THR 39 - HN HIS+ 98 33.333% * 2.0419% (0.76 0.02 0.02) = 2.042% kept HA ASN 15 - HN HIS+ 98 33.333% * 0.7429% (0.28 0.02 0.02) = 0.743% Reference assignment not found: HA MET 97 - HN HIS+ 98 Peak 184 (0.70, 9.47, 124.72 ppm): 9 chemical-shift based assignments, quality = 0.884, support = 1.15, residual support = 3.02: QG2 ILE 101 - HN HIS+ 98 11.111% * 28.8277% (0.98 1.52 0.11) = 28.828% kept QG2 ILE 68 - HN HIS+ 98 11.111% * 23.2918% (0.80 1.50 12.21) = 23.292% kept QG2 ILE 48 - HN HIS+ 98 11.111% * 19.7015% (0.96 1.05 0.68) = 19.702% kept QG2 THR 96 - HN HIS+ 98 11.111% * 10.4202% (0.83 0.64 0.02) = 10.420% kept QD1 ILE 19 - HN HIS+ 98 11.111% * 9.4227% (0.86 0.56 0.02) = 9.423% kept * HG12 ILE 19 - HN HIS+ 98 11.111% * 7.7854% (0.76 0.53 0.02) = 7.785% kept QG2 VAL 94 - HN HIS+ 98 11.111% * 0.3106% (0.80 0.02 0.02) = 0.311% HG LEU 74 - HN HIS+ 98 11.111% * 0.1323% (0.34 0.02 0.02) = 0.132% QG1 VAL 62 - HN HIS+ 98 11.111% * 0.1078% (0.28 0.02 0.02) = 0.108% Peak 186 (3.91, 8.93, 124.84 ppm): 6 chemical-shift based assignments, quality = 0.517, support = 3.25, residual support = 23.6: * O HB THR 96 - HN THR 96 16.667% * 99.7731% (0.52 10.0 3.26 23.67) = 99.773% kept HB2 SER 77 - HN THR 96 16.667% * 0.1529% (0.79 1.0 0.02 0.02) = 0.153% HD2 PRO 86 - HN THR 96 16.667% * 0.0305% (0.16 1.0 0.02 4.49) = 0.031% HB2 SER 77 - HN LEU 17 16.667% * 0.0235% (0.12 1.0 0.02 0.02) = 0.024% HB THR 96 - HN LEU 17 16.667% * 0.0153% (0.08 1.0 0.02 0.02) = 0.015% HD2 PRO 86 - HN LEU 17 16.667% * 0.0047% (0.02 1.0 0.02 0.02) = 0.005% 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 = 0.781, support = 4.41, residual support = 18.9: * QG2 THR 95 - HN THR 96 25.000% * 97.9457% (0.79 4.49 19.27) = 97.946% kept QG2 THR 95 - HN LEU 17 25.000% * 1.8977% (0.12 0.57 1.08) = 1.898% kept QG2 THR 79 - HN THR 96 25.000% * 0.1357% (0.25 0.02 0.02) = 0.136% QG2 THR 79 - HN LEU 17 25.000% * 0.0209% (0.04 0.02 0.02) = 0.021% Peak 189 (4.87, 8.93, 124.84 ppm): 4 chemical-shift based assignments, quality = 0.507, support = 4.31, residual support = 21.1: * O HA THR 96 - HN THR 96 25.000% * 88.0277% (0.52 10.0 4.54 23.67) = 88.028% kept HA ILE 19 - HN THR 96 25.000% * 11.0348% (0.45 1.0 2.86 2.53) = 11.035% kept HA ILE 19 - HN LEU 17 25.000% * 0.9240% (0.07 1.0 1.56 1.73) = 0.924% HA THR 96 - HN LEU 17 25.000% * 0.0135% (0.08 1.0 0.02 0.02) = 0.014% Peak 190 (0.71, 8.93, 124.84 ppm): 20 chemical-shift based assignments, quality = 0.597, support = 2.53, residual support = 11.9: QG2 THR 96 - HN THR 96 5.000% * 46.3581% (0.80 3.61 23.67) = 46.358% kept QD1 ILE 19 - HN THR 96 5.000% * 14.2392% (0.42 2.11 2.53) = 14.239% kept HG12 ILE 19 - HN THR 96 5.000% * 11.3328% (0.33 2.15 2.53) = 11.333% kept * QG2 VAL 94 - HN THR 96 5.000% * 9.2738% (0.36 1.61 0.63) = 9.274% kept QG2 ILE 101 - HN THR 96 5.000% * 6.5400% (0.79 0.52 0.02) = 6.540% kept QG2 ILE 48 - HN THR 96 5.000% * 5.2942% (0.73 0.45 1.32) = 5.294% kept QD1 ILE 19 - HN LEU 17 5.000% * 1.7980% (0.06 1.73 1.73) = 1.798% kept HG12 ILE 19 - HN LEU 17 5.000% * 1.7609% (0.05 2.17 1.73) = 1.761% kept QG2 VAL 94 - HN LEU 17 5.000% * 1.3794% (0.06 1.56 8.81) = 1.379% kept QG2 ILE 48 - HN LEU 17 5.000% * 1.1338% (0.11 0.63 0.02) = 1.134% kept QG2 ILE 68 - HN THR 96 5.000% * 0.4343% (0.36 0.08 0.02) = 0.434% HG LEU 74 - HN THR 96 5.000% * 0.1762% (0.55 0.02 0.02) = 0.176% QG1 VAL 40 - HN THR 96 5.000% * 0.0713% (0.22 0.02 0.02) = 0.071% QD1 ILE 68 - HN THR 96 5.000% * 0.0640% (0.20 0.02 0.02) = 0.064% QG2 THR 96 - HN LEU 17 5.000% * 0.0394% (0.12 0.02 0.02) = 0.039% QG2 ILE 101 - HN LEU 17 5.000% * 0.0390% (0.12 0.02 0.02) = 0.039% HG LEU 74 - HN LEU 17 5.000% * 0.0271% (0.08 0.02 0.02) = 0.027% QG2 ILE 68 - HN LEU 17 5.000% * 0.0177% (0.06 0.02 0.02) = 0.018% QG1 VAL 40 - HN LEU 17 5.000% * 0.0110% (0.03 0.02 0.02) = 0.011% QD1 ILE 68 - HN LEU 17 5.000% * 0.0098% (0.03 0.02 0.02) = 0.010% Peak 191 (1.65, 8.93, 124.84 ppm): 22 chemical-shift based assignments, quality = 0.436, support = 1.65, residual support = 2.14: HB3 MET 97 - HN THR 96 4.545% * 48.9834% (0.33 2.63 4.30) = 48.983% kept HB3 LYS+ 66 - HN THR 96 4.545% * 27.4081% (0.45 1.07 0.12) = 27.408% kept HB3 ARG+ 22 - HN THR 96 4.545% * 17.3879% (0.79 0.39 0.02) = 17.388% kept HB ILE 100 - HN THR 96 4.545% * 1.8058% (0.42 0.08 0.02) = 1.806% kept HG12 ILE 101 - HN THR 96 4.545% * 1.3927% (0.30 0.08 0.02) = 1.393% kept HB ILE 68 - HN LEU 17 4.545% * 0.8356% (0.04 0.35 0.02) = 0.836% HG LEU 23 - HN THR 96 4.545% * 0.4058% (0.36 0.02 0.02) = 0.406% HB ILE 68 - HN THR 96 4.545% * 0.3087% (0.27 0.02 0.02) = 0.309% HG LEU 43 - HN THR 96 4.545% * 0.3087% (0.27 0.02 0.02) = 0.309% HG3 ARG+ 84 - HN THR 96 4.545% * 0.2257% (0.20 0.02 0.02) = 0.226% HB3 LYS+ 81 - HN THR 96 4.545% * 0.2015% (0.18 0.02 0.02) = 0.201% HG3 LYS+ 78 - HN THR 96 4.545% * 0.1396% (0.12 0.02 0.02) = 0.140% HB3 ARG+ 22 - HN LEU 17 4.545% * 0.1380% (0.12 0.02 0.13) = 0.138% HB3 LYS+ 66 - HN LEU 17 4.545% * 0.0788% (0.07 0.02 0.02) = 0.079% HB ILE 100 - HN LEU 17 4.545% * 0.0732% (0.06 0.02 0.02) = 0.073% HG LEU 23 - HN LEU 17 4.545% * 0.0624% (0.06 0.02 0.19) = 0.062% HB3 MET 97 - HN LEU 17 4.545% * 0.0572% (0.05 0.02 0.02) = 0.057% HG12 ILE 101 - HN LEU 17 4.545% * 0.0522% (0.05 0.02 0.02) = 0.052% HG LEU 43 - HN LEU 17 4.545% * 0.0475% (0.04 0.02 0.02) = 0.047% HG3 ARG+ 84 - HN LEU 17 4.545% * 0.0347% (0.03 0.02 1.35) = 0.035% HB3 LYS+ 81 - HN LEU 17 4.545% * 0.0310% (0.03 0.02 0.02) = 0.031% HG3 LYS+ 78 - HN LEU 17 4.545% * 0.0215% (0.02 0.02 0.02) = 0.021% Peak 192 (8.48, 8.96, 124.52 ppm): 12 chemical-shift based assignments, quality = 0.828, support = 4.45, residual support = 18.5: HN GLU- 18 - HN LEU 17 8.333% * 62.8899% (1.00 5.47 26.99) = 62.890% kept HN GLU- 18 - HN ILE 19 8.333% * 18.6532% (0.34 4.73 8.02) = 18.653% kept HN GLU- 10 - HN LEU 17 8.333% * 8.9388% (0.94 0.82 0.12) = 8.939% kept HN GLY 92 - HN LEU 17 8.333% * 4.6122% (0.73 0.55 0.14) = 4.612% kept HN GLU- 107 - HN LEU 17 8.333% * 3.7183% (0.49 0.66 0.02) = 3.718% kept HN GLU- 18 - HN THR 96 8.333% * 0.9287% (0.18 0.45 0.02) = 0.929% HN GLU- 10 - HN ILE 19 8.333% * 0.0746% (0.32 0.02 0.02) = 0.075% HN GLY 92 - HN ILE 19 8.333% * 0.0573% (0.25 0.02 1.54) = 0.057% HN GLU- 10 - HN THR 96 8.333% * 0.0388% (0.17 0.02 0.02) = 0.039% HN GLU- 107 - HN ILE 19 8.333% * 0.0384% (0.17 0.02 0.02) = 0.038% HN GLY 92 - HN THR 96 8.333% * 0.0298% (0.13 0.02 0.02) = 0.030% HN GLU- 107 - HN THR 96 8.333% * 0.0200% (0.09 0.02 0.02) = 0.020% Peak 193 (4.21, 8.22, 124.48 ppm): 9 chemical-shift based assignments, quality = 0.328, support = 1.67, residual support = 3.51: O HA GLU- 10 - HN ALA 11 11.111% * 84.9248% (0.24 10.0 1.86 3.82) = 84.925% kept HA GLU- 12 - HN ALA 11 11.111% * 11.9843% (0.92 1.0 0.69 2.26) = 11.984% kept HA ASP- 82 - HN ALA 11 11.111% * 1.4770% (0.87 1.0 0.09 0.02) = 1.477% kept HA GLU- 18 - HN ALA 11 11.111% * 0.8727% (0.51 1.0 0.09 0.02) = 0.873% HB3 SER 49 - HN ALA 11 11.111% * 0.2302% (0.61 1.0 0.02 0.02) = 0.230% HA SER 49 - HN ALA 11 11.111% * 0.1781% (0.47 1.0 0.02 0.02) = 0.178% HA ALA 42 - HN ALA 11 11.111% * 0.1504% (0.40 1.0 0.02 0.02) = 0.150% HA LYS+ 108 - HN ALA 11 11.111% * 0.0912% (0.24 1.0 0.02 0.02) = 0.091% HA GLU- 54 - HN ALA 11 11.111% * 0.0912% (0.24 1.0 0.02 0.02) = 0.091% Reference assignment not found: HA ALA 11 - HN ALA 11 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 = 0.368, support = 0.22, residual support = 0.0745: QG2 THR 46 - HN ALA 11 20.000% * 59.4615% (0.40 0.30 0.11) = 59.462% kept HG3 ARG+ 22 - HN ALA 11 20.000% * 22.3178% (0.36 0.12 0.02) = 22.318% kept HB3 LEU 17 - HN ALA 11 20.000% * 13.1164% (0.27 0.10 0.02) = 13.116% kept HG3 LYS+ 81 - HN ALA 11 20.000% * 3.6172% (0.36 0.02 0.02) = 3.617% kept HB3 LYS+ 20 - HN ALA 11 20.000% * 1.4871% (0.15 0.02 0.02) = 1.487% kept Reference assignment not found: QB ALA 11 - HN ALA 11 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 196 (4.78, 8.22, 124.48 ppm): 2 chemical-shift based assignments, quality = 0.658, support = 0.188, residual support = 0.02: HA ASN 15 - HN ALA 11 50.000% * 57.9660% (0.96 0.11 0.02) = 57.966% kept HA LEU 23 - HN ALA 11 50.000% * 42.0340% (0.24 0.30 0.02) = 42.034% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 197 (1.99, 8.22, 124.48 ppm): 8 chemical-shift based assignments, quality = 0.471, support = 0.217, residual support = 0.0199: HG2 PRO 86 - HN ALA 11 12.500% * 31.2029% (0.51 0.28 0.02) = 31.203% kept HB VAL 73 - HN ALA 11 12.500% * 26.4836% (0.51 0.24 0.02) = 26.484% kept HB2 HIS+ 14 - HN ALA 11 12.500% * 19.3474% (0.43 0.20 0.02) = 19.347% kept HB3 GLU- 75 - HN ALA 11 12.500% * 8.9114% (0.17 0.24 0.02) = 8.911% kept HB2 GLU- 18 - HN ALA 11 12.500% * 6.5891% (0.33 0.09 0.02) = 6.589% kept HB2 LYS+ 108 - HN ALA 11 12.500% * 4.2236% (0.96 0.02 0.02) = 4.224% kept HG3 PRO 104 - HN ALA 11 12.500% * 2.5846% (0.59 0.02 0.02) = 2.585% kept HB3 GLU- 107 - HN ALA 11 12.500% * 0.6575% (0.15 0.02 0.02) = 0.657% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 198 (3.96, 8.22, 124.48 ppm): 2 chemical-shift based assignments, quality = 0.506, support = 1.2, residual support = 1.92: HA LEU 74 - HN ALA 11 50.000% * 99.3031% (0.51 1.21 1.94) = 99.303% kept HA1 GLY 92 - HN ALA 11 50.000% * 0.6969% (0.22 0.02 0.02) = 0.697% Peak 199 (4.54, 8.49, 124.44 ppm): 12 chemical-shift based assignments, quality = 0.668, support = 4.56, residual support = 26.2: * O HA LEU 17 - HN GLU- 18 8.333% * 96.9598% (0.67 10.0 4.69 26.99) = 96.960% kept HA LEU 17 - HN GLU- 10 8.333% * 2.5244% (0.73 1.0 0.48 0.12) = 2.524% kept HA ALA 103 - HN GLU- 10 8.333% * 0.1236% (0.85 1.0 0.02 0.02) = 0.124% HA ALA 103 - HN GLU- 18 8.333% * 0.1138% (0.79 1.0 0.02 0.02) = 0.114% HA LYS+ 55 - HN GLU- 10 8.333% * 0.0614% (0.42 1.0 0.02 0.02) = 0.061% HA LYS+ 55 - HN GLU- 18 8.333% * 0.0565% (0.39 1.0 0.02 0.10) = 0.057% HB THR 46 - HN GLU- 10 8.333% * 0.0473% (0.33 1.0 0.02 0.02) = 0.047% HB THR 46 - HN GLU- 18 8.333% * 0.0436% (0.30 1.0 0.02 0.02) = 0.044% HA ALA 103 - HN GLU- 107 8.333% * 0.0255% (0.18 1.0 0.02 0.02) = 0.025% HA LEU 17 - HN GLU- 107 8.333% * 0.0217% (0.15 1.0 0.02 0.02) = 0.022% HA LYS+ 55 - HN GLU- 107 8.333% * 0.0127% (0.09 1.0 0.02 0.02) = 0.013% HB THR 46 - HN GLU- 107 8.333% * 0.0098% (0.07 1.0 0.02 0.02) = 0.010% Peak 200 (1.74, 8.49, 124.44 ppm): 12 chemical-shift based assignments, quality = 0.567, support = 4.01, residual support = 16.5: * HB2 LEU 17 - HN GLU- 18 8.333% * 59.1185% (0.58 5.79 26.99) = 59.119% kept HB2 GLN 16 - HN GLU- 18 8.333% * 13.3469% (0.22 3.42 1.38) = 13.347% kept HB ILE 48 - HN GLU- 18 8.333% * 7.0662% (0.80 0.50 0.02) = 7.066% kept HB3 LEU 23 - HN GLU- 18 8.333% * 6.8880% (0.77 0.51 5.70) = 6.888% kept HB2 LEU 17 - HN GLU- 10 8.333% * 6.5670% (0.63 0.59 0.12) = 6.567% kept HB3 LEU 23 - HN GLU- 10 8.333% * 4.4667% (0.84 0.30 0.02) = 4.467% kept HB2 GLN 16 - HN GLU- 10 8.333% * 1.5866% (0.24 0.37 0.02) = 1.587% kept HB2 LEU 17 - HN GLU- 107 8.333% * 0.5138% (0.13 0.22 0.02) = 0.514% HB ILE 48 - HN GLU- 10 8.333% * 0.3052% (0.87 0.02 0.02) = 0.305% HB ILE 48 - HN GLU- 107 8.333% * 0.0630% (0.18 0.02 0.02) = 0.063% HB3 LEU 23 - HN GLU- 107 8.333% * 0.0608% (0.17 0.02 0.02) = 0.061% HB2 GLN 16 - HN GLU- 107 8.333% * 0.0175% (0.05 0.02 0.02) = 0.018% Peak 201 (0.91, 8.49, 124.44 ppm): 33 chemical-shift based assignments, quality = 0.429, support = 1.82, residual support = 9.59: * QD1 LEU 17 - HN GLU- 18 3.030% * 34.8720% (0.27 3.87 26.99) = 34.872% kept QG1 VAL 47 - HN GLU- 18 3.030% * 24.1759% (0.61 1.20 0.65) = 24.176% kept QG2 VAL 40 - HN GLU- 18 3.030% * 14.2316% (0.55 0.78 0.11) = 14.232% kept QD1 LEU 67 - HN GLU- 18 3.030% * 6.9784% (0.67 0.32 0.02) = 6.978% kept QD1 LEU 17 - HN GLU- 10 3.030% * 4.6972% (0.30 0.48 0.12) = 4.697% kept QG2 VAL 87 - HN GLU- 18 3.030% * 4.4621% (0.55 0.25 0.02) = 4.462% kept QG1 VAL 80 - HN GLU- 18 3.030% * 3.4263% (0.27 0.38 0.02) = 3.426% kept QG2 VAL 40 - HN GLU- 10 3.030% * 2.0651% (0.60 0.10 0.02) = 2.065% kept QD1 LEU 67 - HN GLU- 10 3.030% * 0.4798% (0.73 0.02 0.02) = 0.480% QG2 VAL 80 - HN GLU- 10 3.030% * 0.4798% (0.73 0.02 0.02) = 0.480% QG2 VAL 80 - HN GLU- 18 3.030% * 0.4418% (0.67 0.02 0.02) = 0.442% QG1 VAL 47 - HN GLU- 10 3.030% * 0.4390% (0.67 0.02 0.02) = 0.439% QG2 VAL 87 - HN GLU- 10 3.030% * 0.3946% (0.60 0.02 0.02) = 0.395% HG12 ILE 68 - HN GLU- 10 3.030% * 0.3716% (0.56 0.02 0.02) = 0.372% HG12 ILE 68 - HN GLU- 18 3.030% * 0.3422% (0.52 0.02 0.02) = 0.342% HB2 ARG+ 84 - HN GLU- 10 3.030% * 0.2362% (0.36 0.02 0.02) = 0.236% HB2 ARG+ 84 - HN GLU- 18 3.030% * 0.2174% (0.33 0.02 1.52) = 0.217% QG2 VAL 105 - HN GLU- 10 3.030% * 0.2156% (0.33 0.02 0.02) = 0.216% QG2 VAL 105 - HN GLU- 18 3.030% * 0.1985% (0.30 0.02 0.02) = 0.199% QG1 VAL 80 - HN GLU- 10 3.030% * 0.1959% (0.30 0.02 0.02) = 0.196% QG1 VAL 105 - HN GLU- 10 3.030% * 0.1773% (0.27 0.02 0.02) = 0.177% QG1 VAL 105 - HN GLU- 18 3.030% * 0.1632% (0.25 0.02 0.02) = 0.163% QD1 LEU 67 - HN GLU- 107 3.030% * 0.0990% (0.15 0.02 0.02) = 0.099% QG2 VAL 80 - HN GLU- 107 3.030% * 0.0990% (0.15 0.02 0.02) = 0.099% QG1 VAL 47 - HN GLU- 107 3.030% * 0.0906% (0.14 0.02 0.02) = 0.091% QG2 VAL 87 - HN GLU- 107 3.030% * 0.0814% (0.12 0.02 0.02) = 0.081% QG2 VAL 40 - HN GLU- 107 3.030% * 0.0814% (0.12 0.02 0.02) = 0.081% HG12 ILE 68 - HN GLU- 107 3.030% * 0.0767% (0.12 0.02 0.02) = 0.077% HB2 ARG+ 84 - HN GLU- 107 3.030% * 0.0487% (0.07 0.02 0.02) = 0.049% QG2 VAL 105 - HN GLU- 107 3.030% * 0.0445% (0.07 0.02 0.02) = 0.044% QD1 LEU 17 - HN GLU- 107 3.030% * 0.0404% (0.06 0.02 0.02) = 0.040% QG1 VAL 80 - HN GLU- 107 3.030% * 0.0404% (0.06 0.02 0.02) = 0.040% QG1 VAL 105 - HN GLU- 107 3.030% * 0.0366% (0.06 0.02 0.02) = 0.037% Peak 203 (1.99, 8.49, 124.44 ppm): 21 chemical-shift based assignments, quality = 0.244, support = 5.03, residual support = 30.4: * O HB2 GLU- 18 - HN GLU- 18 4.762% * 88.2332% (0.25 10.0 5.65 34.18) = 88.233% kept HB VAL 73 - HN GLU- 18 4.762% * 3.4395% (0.45 1.0 0.43 0.16) = 3.439% kept HB2 LYS+ 108 - HN GLU- 107 4.762% * 2.9877% (0.18 1.0 0.94 8.47) = 2.988% kept HB2 GLU- 18 - HN GLU- 10 4.762% * 1.7202% (0.27 1.0 0.36 0.02) = 1.720% kept HB VAL 73 - HN GLU- 10 4.762% * 0.9697% (0.49 1.0 0.11 0.02) = 0.970% HB VAL 73 - HN GLU- 107 4.762% * 0.5374% (0.10 1.0 0.30 0.02) = 0.537% HB2 LYS+ 108 - HN GLU- 10 4.762% * 0.3098% (0.87 1.0 0.02 0.02) = 0.310% HB2 LYS+ 108 - HN GLU- 18 4.762% * 0.2852% (0.80 1.0 0.02 0.02) = 0.285% HB3 GLU- 75 - HN GLU- 107 4.762% * 0.2291% (0.03 1.0 0.42 0.02) = 0.229% HG3 PRO 104 - HN GLU- 10 4.762% * 0.2008% (0.56 1.0 0.02 0.02) = 0.201% HB3 GLU- 75 - HN GLU- 18 4.762% * 0.1951% (0.14 1.0 0.08 0.02) = 0.195% HG3 PRO 104 - HN GLU- 18 4.762% * 0.1849% (0.52 1.0 0.02 0.02) = 0.185% HG2 PRO 86 - HN GLU- 10 4.762% * 0.1511% (0.42 1.0 0.02 0.02) = 0.151% HG2 PRO 86 - HN GLU- 18 4.762% * 0.1391% (0.39 1.0 0.02 0.02) = 0.139% HB2 HIS+ 14 - HN GLU- 10 4.762% * 0.1276% (0.36 1.0 0.02 0.02) = 0.128% HB2 HIS+ 14 - HN GLU- 18 4.762% * 0.1175% (0.33 1.0 0.02 0.15) = 0.118% HB3 GLU- 75 - HN GLU- 10 4.762% * 0.0532% (0.15 1.0 0.02 0.02) = 0.053% HG3 PRO 104 - HN GLU- 107 4.762% * 0.0414% (0.12 1.0 0.02 0.02) = 0.041% HG2 PRO 86 - HN GLU- 107 4.762% * 0.0312% (0.09 1.0 0.02 0.02) = 0.031% HB2 HIS+ 14 - HN GLU- 107 4.762% * 0.0263% (0.07 1.0 0.02 0.02) = 0.026% HB2 GLU- 18 - HN GLU- 107 4.762% * 0.0198% (0.06 1.0 0.02 0.02) = 0.020% Peak 204 (1.58, 8.49, 124.44 ppm): 30 chemical-shift based assignments, quality = 0.593, support = 3.43, residual support = 15.8: * HG LEU 17 - HN GLU- 18 3.333% * 48.7674% (0.61 4.86 26.99) = 48.767% kept HB ILE 19 - HN GLU- 18 3.333% * 32.2633% (0.64 3.07 8.02) = 32.263% kept HG LEU 17 - HN GLU- 10 3.333% * 5.2237% (0.67 0.48 0.12) = 5.224% kept HB3 LYS+ 32 - HN GLU- 18 3.333% * 4.9540% (0.70 0.44 1.18) = 4.954% kept QB ALA 42 - HN GLU- 18 3.333% * 2.4829% (0.27 0.55 0.02) = 2.483% kept HD3 LYS+ 32 - HN GLU- 18 3.333% * 1.9783% (0.30 0.40 1.18) = 1.978% kept QB ALA 42 - HN GLU- 10 3.333% * 1.5683% (0.30 0.32 0.02) = 1.568% kept HB ILE 19 - HN GLU- 10 3.333% * 0.9427% (0.70 0.08 0.02) = 0.943% HB3 LYS+ 32 - HN GLU- 10 3.333% * 0.2473% (0.76 0.02 0.02) = 0.247% HD3 LYS+ 60 - HN GLU- 10 3.333% * 0.1959% (0.60 0.02 0.02) = 0.196% HD3 LYS+ 60 - HN GLU- 18 3.333% * 0.1803% (0.55 0.02 0.02) = 0.180% HD3 LYS+ 81 - HN GLU- 10 3.333% * 0.1729% (0.53 0.02 0.02) = 0.173% HD3 LYS+ 81 - HN GLU- 18 3.333% * 0.1592% (0.49 0.02 0.02) = 0.159% HD3 LYS+ 32 - HN GLU- 10 3.333% * 0.1070% (0.33 0.02 0.02) = 0.107% HG12 ILE 29 - HN GLU- 10 3.333% * 0.0973% (0.30 0.02 0.02) = 0.097% HG12 ILE 29 - HN GLU- 18 3.333% * 0.0896% (0.27 0.02 0.02) = 0.090% HB3 LEU 90 - HN GLU- 10 3.333% * 0.0793% (0.24 0.02 0.02) = 0.079% HB3 LEU 90 - HN GLU- 18 3.333% * 0.0730% (0.22 0.02 0.11) = 0.073% HG13 ILE 29 - HN GLU- 10 3.333% * 0.0564% (0.17 0.02 0.02) = 0.056% HG13 ILE 29 - HN GLU- 18 3.333% * 0.0520% (0.16 0.02 0.02) = 0.052% HB3 LYS+ 32 - HN GLU- 107 3.333% * 0.0510% (0.16 0.02 0.02) = 0.051% HB ILE 19 - HN GLU- 107 3.333% * 0.0471% (0.14 0.02 0.02) = 0.047% HG LEU 17 - HN GLU- 107 3.333% * 0.0449% (0.14 0.02 0.02) = 0.045% HD3 LYS+ 60 - HN GLU- 107 3.333% * 0.0404% (0.12 0.02 0.02) = 0.040% HD3 LYS+ 81 - HN GLU- 107 3.333% * 0.0357% (0.11 0.02 0.02) = 0.036% HD3 LYS+ 32 - HN GLU- 107 3.333% * 0.0221% (0.07 0.02 0.02) = 0.022% QB ALA 42 - HN GLU- 107 3.333% * 0.0201% (0.06 0.02 0.02) = 0.020% HG12 ILE 29 - HN GLU- 107 3.333% * 0.0201% (0.06 0.02 0.02) = 0.020% HB3 LEU 90 - HN GLU- 107 3.333% * 0.0164% (0.05 0.02 0.02) = 0.016% HG13 ILE 29 - HN GLU- 107 3.333% * 0.0116% (0.04 0.02 0.02) = 0.012% Peak 205 (1.34, 8.49, 124.44 ppm): 18 chemical-shift based assignments, quality = 0.261, support = 3.97, residual support = 18.1: * HB3 LEU 17 - HN GLU- 18 5.556% * 65.4553% (0.27 5.67 26.99) = 65.455% kept QB ALA 11 - HN GLU- 10 5.556% * 9.9311% (0.15 1.54 3.82) = 9.931% kept HB3 LYS+ 20 - HN GLU- 18 5.556% * 6.5182% (0.16 0.97 0.02) = 6.518% kept HG3 ARG+ 22 - HN GLU- 10 5.556% * 4.9918% (0.39 0.30 0.02) = 4.992% kept HB3 LEU 17 - HN GLU- 10 5.556% * 4.3008% (0.30 0.34 0.12) = 4.301% kept HG3 ARG+ 22 - HN GLU- 18 5.556% * 2.4357% (0.36 0.16 0.02) = 2.436% kept QG2 THR 46 - HN GLU- 10 5.556% * 1.8799% (0.30 0.15 0.02) = 1.880% kept QG2 THR 46 - HN GLU- 18 5.556% * 1.6128% (0.27 0.14 0.02) = 1.613% kept HG3 LYS+ 81 - HN GLU- 10 5.556% * 1.4823% (0.39 0.09 0.02) = 1.482% kept HB3 LEU 17 - HN GLU- 107 5.556% * 0.5809% (0.06 0.22 0.02) = 0.581% HG3 LYS+ 81 - HN GLU- 18 5.556% * 0.3032% (0.36 0.02 0.02) = 0.303% HB3 LYS+ 20 - HN GLU- 10 5.556% * 0.1454% (0.17 0.02 0.02) = 0.145% QB ALA 11 - HN GLU- 18 5.556% * 0.1185% (0.14 0.02 0.02) = 0.118% HG3 ARG+ 22 - HN GLU- 107 5.556% * 0.0679% (0.08 0.02 0.02) = 0.068% HG3 LYS+ 81 - HN GLU- 107 5.556% * 0.0679% (0.08 0.02 0.02) = 0.068% QG2 THR 46 - HN GLU- 107 5.556% * 0.0517% (0.06 0.02 0.02) = 0.052% HB3 LYS+ 20 - HN GLU- 107 5.556% * 0.0300% (0.04 0.02 0.02) = 0.030% QB ALA 11 - HN GLU- 107 5.556% * 0.0265% (0.03 0.02 0.02) = 0.027% Peak 206 (0.67, 8.49, 124.44 ppm): 21 chemical-shift based assignments, quality = 0.488, support = 2.73, residual support = 6.02: QD1 ILE 19 - HN GLU- 18 4.762% * 35.0294% (0.42 4.11 8.02) = 35.029% kept HG12 ILE 19 - HN GLU- 18 4.762% * 33.8435% (0.52 3.23 8.02) = 33.843% kept * QG2 VAL 94 - HN GLU- 18 4.762% * 10.7786% (0.49 1.10 3.18) = 10.779% kept QG2 ILE 48 - HN GLU- 18 4.762% * 8.5146% (0.78 0.54 0.02) = 8.515% kept QG2 ILE 101 - HN GLU- 18 4.762% * 5.0145% (0.40 0.62 3.05) = 5.015% kept QG2 VAL 94 - HN GLU- 10 4.762% * 1.8358% (0.53 0.17 0.02) = 1.836% kept HG12 ILE 19 - HN GLU- 10 4.762% * 1.6652% (0.56 0.15 0.02) = 1.665% kept QD1 ILE 19 - HN GLU- 10 4.762% * 1.3613% (0.46 0.15 0.02) = 1.361% kept QG1 VAL 62 - HN GLU- 10 4.762% * 0.3514% (0.87 0.02 0.02) = 0.351% QG2 ILE 48 - HN GLU- 10 4.762% * 0.3429% (0.85 0.02 0.02) = 0.343% QG1 VAL 62 - HN GLU- 18 4.762% * 0.3235% (0.80 0.02 0.02) = 0.324% QG2 ILE 68 - HN GLU- 10 4.762% * 0.2136% (0.53 0.02 0.02) = 0.214% QG2 ILE 68 - HN GLU- 18 4.762% * 0.1967% (0.49 0.02 0.02) = 0.197% QG2 ILE 101 - HN GLU- 10 4.762% * 0.1763% (0.44 0.02 0.02) = 0.176% QG1 VAL 62 - HN GLU- 107 4.762% * 0.0725% (0.18 0.02 0.02) = 0.072% QG2 ILE 48 - HN GLU- 107 4.762% * 0.0707% (0.17 0.02 0.02) = 0.071% HG12 ILE 19 - HN GLU- 107 4.762% * 0.0470% (0.12 0.02 0.02) = 0.047% QG2 ILE 68 - HN GLU- 107 4.762% * 0.0441% (0.11 0.02 0.02) = 0.044% QG2 VAL 94 - HN GLU- 107 4.762% * 0.0441% (0.11 0.02 0.02) = 0.044% QD1 ILE 19 - HN GLU- 107 4.762% * 0.0382% (0.09 0.02 0.02) = 0.038% QG2 ILE 101 - HN GLU- 107 4.762% * 0.0364% (0.09 0.02 0.02) = 0.036% Peak 207 (4.69, 8.96, 124.53 ppm): 21 chemical-shift based assignments, quality = 0.652, support = 3.54, residual support = 19.6: O HA GLN 16 - HN LEU 17 4.762% * 93.0941% (0.69 10.0 3.74 21.02) = 93.094% kept HA GLN 16 - HN ILE 19 4.762% * 2.6539% (0.25 1.0 1.59 0.47) = 2.654% kept HA THR 61 - HN ILE 19 4.762% * 1.1218% (0.13 1.0 1.23 0.35) = 1.122% kept HA TYR 83 - HN LEU 17 4.762% * 1.0029% (0.61 1.0 0.24 0.02) = 1.003% kept HA THR 61 - HN LEU 17 4.762% * 0.7885% (0.37 1.0 0.31 0.02) = 0.788% HA TYR 83 - HN ILE 19 4.762% * 0.4122% (0.22 1.0 0.28 0.02) = 0.412% HA ASN 89 - HN ILE 19 4.762% * 0.4013% (0.30 1.0 0.20 0.02) = 0.401% * HA GLN 16 - HN THR 96 4.762% * 0.1612% (0.13 1.0 0.18 0.02) = 0.161% HA ASN 89 - HN LEU 17 4.762% * 0.1132% (0.83 1.0 0.02 0.02) = 0.113% HA VAL 99 - HN LEU 17 4.762% * 0.0713% (0.53 1.0 0.02 0.15) = 0.071% HA THR 39 - HN LEU 17 4.762% * 0.0338% (0.25 1.0 0.02 0.02) = 0.034% HA2 GLY 30 - HN LEU 17 4.762% * 0.0268% (0.20 1.0 0.02 0.02) = 0.027% HA VAL 99 - HN ILE 19 4.762% * 0.0256% (0.19 1.0 0.02 0.02) = 0.026% HA ASN 89 - HN THR 96 4.762% * 0.0215% (0.16 1.0 0.02 0.02) = 0.021% HA TYR 83 - HN THR 96 4.762% * 0.0156% (0.11 1.0 0.02 0.02) = 0.016% HA VAL 99 - HN THR 96 4.762% * 0.0135% (0.10 1.0 0.02 0.02) = 0.014% HA THR 39 - HN ILE 19 4.762% * 0.0121% (0.09 1.0 0.02 0.70) = 0.012% HA THR 61 - HN THR 96 4.762% * 0.0096% (0.07 1.0 0.02 0.02) = 0.010% HA2 GLY 30 - HN ILE 19 4.762% * 0.0096% (0.07 1.0 0.02 0.02) = 0.010% HA THR 39 - HN THR 96 4.762% * 0.0064% (0.05 1.0 0.02 0.02) = 0.006% HA2 GLY 30 - HN THR 96 4.762% * 0.0051% (0.04 1.0 0.02 0.02) = 0.005% Reference assignment eliminated. Peak 208 (1.72, 8.96, 124.53 ppm): 9 chemical-shift based assignments, quality = 0.885, support = 2.89, residual support = 18.0: HB2 GLN 16 - HN LEU 17 11.111% * 85.2782% (1.00 3.29 21.02) = 85.278% kept HB3 LEU 23 - HN LEU 17 11.111% * 4.6052% (0.17 1.01 0.19) = 4.605% kept HB2 GLN 16 - HN ILE 19 11.111% * 4.4964% (0.36 0.48 0.47) = 4.496% kept * HB2 GLN 16 - HN THR 96 11.111% * 3.3012% (0.19 0.67 0.02) = 3.301% kept HB ILE 48 - HN LEU 17 11.111% * 1.2421% (0.28 0.17 0.02) = 1.242% kept HB3 LEU 23 - HN ILE 19 11.111% * 0.6942% (0.06 0.43 1.16) = 0.694% HB ILE 48 - HN ILE 19 11.111% * 0.3381% (0.10 0.13 0.02) = 0.338% HB ILE 48 - HN THR 96 11.111% * 0.0274% (0.05 0.02 1.32) = 0.027% HB3 LEU 23 - HN THR 96 11.111% * 0.0172% (0.03 0.02 0.02) = 0.017% 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): 15 chemical-shift based assignments, quality = 0.98, support = 4.53, residual support = 87.6: O HA LEU 17 - HN LEU 17 6.667% * 97.7368% (1.00 10.0 4.61 89.64) = 97.737% kept HA LEU 17 - HN ILE 19 6.667% * 1.9417% (0.36 1.0 1.11 1.73) = 1.942% kept HA LYS+ 55 - HN LEU 17 6.667% * 0.0784% (0.80 1.0 0.02 0.02) = 0.078% HA ALA 103 - HN LEU 17 6.667% * 0.0749% (0.76 1.0 0.02 0.02) = 0.075% HA LYS+ 55 - HN ILE 19 6.667% * 0.0282% (0.29 1.0 0.02 0.02) = 0.028% HA LYS+ 78 - HN LEU 17 6.667% * 0.0272% (0.28 1.0 0.02 0.02) = 0.027% HA ALA 103 - HN ILE 19 6.667% * 0.0269% (0.27 1.0 0.02 0.02) = 0.027% * HA LEU 17 - HN THR 96 6.667% * 0.0185% (0.19 1.0 0.02 0.02) = 0.019% HB THR 46 - HN LEU 17 6.667% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% HA LYS+ 55 - HN THR 96 6.667% * 0.0149% (0.15 1.0 0.02 0.02) = 0.015% HA ALA 103 - HN THR 96 6.667% * 0.0142% (0.14 1.0 0.02 0.02) = 0.014% HA LYS+ 78 - HN ILE 19 6.667% * 0.0098% (0.10 1.0 0.02 0.02) = 0.010% HB THR 46 - HN ILE 19 6.667% * 0.0054% (0.06 1.0 0.02 0.02) = 0.005% HA LYS+ 78 - HN THR 96 6.667% * 0.0052% (0.05 1.0 0.02 0.02) = 0.005% HB THR 46 - HN THR 96 6.667% * 0.0029% (0.03 1.0 0.02 0.02) = 0.003% Reference assignment eliminated. Peak 211 (1.89, 8.96, 124.53 ppm): 15 chemical-shift based assignments, quality = 0.858, support = 3.62, residual support = 19.8: HB3 GLN 16 - HN LEU 17 6.667% * 54.0319% (0.98 4.65 21.02) = 54.032% kept HG2 GLU- 18 - HN LEU 17 6.667% * 27.3754% (0.98 2.35 26.99) = 27.375% kept HG2 GLU- 18 - HN ILE 19 6.667% * 13.4384% (0.35 3.22 8.02) = 13.438% kept HB3 GLN 16 - HN ILE 19 6.667% * 3.4871% (0.35 0.84 0.47) = 3.487% kept HG2 GLU- 18 - HN THR 96 6.667% * 1.0763% (0.19 0.49 0.02) = 1.076% kept HB3 ARG+ 53 - HN LEU 17 6.667% * 0.1630% (0.69 0.02 0.02) = 0.163% HB3 GLN 102 - HN LEU 17 6.667% * 0.0976% (0.41 0.02 0.02) = 0.098% HB3 GLN 102 - HN THR 96 6.667% * 0.0701% (0.08 0.08 0.02) = 0.070% HD3 LYS+ 63 - HN LEU 17 6.667% * 0.0592% (0.25 0.02 0.02) = 0.059% HB3 ARG+ 53 - HN ILE 19 6.667% * 0.0585% (0.25 0.02 0.02) = 0.059% * HB3 GLN 16 - HN THR 96 6.667% * 0.0441% (0.19 0.02 0.02) = 0.044% HB3 GLN 102 - HN ILE 19 6.667% * 0.0350% (0.15 0.02 0.02) = 0.035% HB3 ARG+ 53 - HN THR 96 6.667% * 0.0309% (0.13 0.02 0.02) = 0.031% HD3 LYS+ 63 - HN ILE 19 6.667% * 0.0212% (0.09 0.02 0.02) = 0.021% HD3 LYS+ 63 - HN THR 96 6.667% * 0.0112% (0.05 0.02 0.02) = 0.011% Reference assignment eliminated. Peak 212 (1.34, 8.96, 124.53 ppm): 18 chemical-shift based assignments, quality = 0.454, support = 4.7, residual support = 82.1: O HB3 LEU 17 - HN LEU 17 5.556% * 90.3248% (0.49 10.0 5.02 89.64) = 90.325% kept HB3 LYS+ 20 - HN ILE 19 5.556% * 3.6395% (0.11 1.0 3.54 30.28) = 3.639% kept HB3 LYS+ 20 - HN LEU 17 5.556% * 2.6834% (0.31 1.0 0.94 0.77) = 2.683% kept HB3 LEU 17 - HN ILE 19 5.556% * 1.5656% (0.17 1.0 0.97 1.73) = 1.566% kept HB3 LYS+ 20 - HN THR 96 5.556% * 0.9272% (0.06 1.0 1.71 1.55) = 0.927% HG3 ARG+ 22 - HN ILE 19 5.556% * 0.2718% (0.22 1.0 0.13 0.53) = 0.272% HG3 LYS+ 81 - HN ILE 19 5.556% * 0.1589% (0.22 1.0 0.08 0.02) = 0.159% HG3 ARG+ 22 - HN LEU 17 5.556% * 0.1126% (0.61 1.0 0.02 0.13) = 0.113% HG3 LYS+ 81 - HN LEU 17 5.556% * 0.1126% (0.61 1.0 0.02 0.02) = 0.113% QB ALA 11 - HN LEU 17 5.556% * 0.0516% (0.28 1.0 0.02 0.02) = 0.052% QG2 THR 46 - HN LEU 17 5.556% * 0.0413% (0.22 1.0 0.02 0.02) = 0.041% HG3 LYS+ 81 - HN THR 96 5.556% * 0.0213% (0.11 1.0 0.02 0.02) = 0.021% HG3 ARG+ 22 - HN THR 96 5.556% * 0.0213% (0.11 1.0 0.02 0.02) = 0.021% QB ALA 11 - HN ILE 19 5.556% * 0.0185% (0.10 1.0 0.02 0.02) = 0.019% HB3 LEU 17 - HN THR 96 5.556% * 0.0171% (0.09 1.0 0.02 0.02) = 0.017% QG2 THR 46 - HN ILE 19 5.556% * 0.0148% (0.08 1.0 0.02 0.02) = 0.015% QB ALA 11 - HN THR 96 5.556% * 0.0098% (0.05 1.0 0.02 0.02) = 0.010% QG2 THR 46 - HN THR 96 5.556% * 0.0078% (0.04 1.0 0.02 0.02) = 0.008% Peak 213 (0.90, 8.97, 124.53 ppm): 21 chemical-shift based assignments, quality = 0.643, support = 0.413, residual support = 0.0495: QD1 LEU 67 - HN LEU 17 4.762% * 16.1098% (0.81 0.47 0.02) = 16.110% kept QG1 VAL 47 - HN LEU 17 4.762% * 15.7102% (0.84 0.44 0.16) = 15.710% kept QG2 VAL 40 - HN ILE 19 4.762% * 12.5081% (0.45 0.66 0.02) = 12.508% kept QG2 VAL 87 - HN LEU 17 4.762% * 11.8089% (0.86 0.32 0.02) = 11.809% kept QG2 VAL 40 - HN LEU 17 4.762% * 11.3807% (0.86 0.31 0.02) = 11.381% kept QG1 VAL 47 - HN ILE 19 4.762% * 9.5131% (0.44 0.51 0.11) = 9.513% kept QG1 VAL 80 - HN ILE 19 4.762% * 8.2128% (0.39 0.50 0.02) = 8.213% kept QG2 VAL 87 - HN ILE 19 4.762% * 4.6696% (0.45 0.25 0.02) = 4.670% kept QG1 VAL 80 - HN LEU 17 4.762% * 2.7028% (0.75 0.09 0.02) = 2.703% kept QG2 VAL 80 - HN ILE 19 4.762% * 2.1163% (0.14 0.36 0.02) = 2.116% kept QD1 LEU 67 - HN ILE 19 4.762% * 1.7656% (0.42 0.10 0.02) = 1.766% kept QD1 LEU 67 - HN THR 96 4.762% * 0.9896% (0.11 0.21 0.02) = 0.990% HG12 ILE 68 - HN LEU 17 4.762% * 0.8298% (0.15 0.13 0.02) = 0.830% QG1 VAL 80 - HN THR 96 4.762% * 0.5897% (0.10 0.14 0.02) = 0.590% QG2 VAL 40 - HN THR 96 4.762% * 0.5551% (0.12 0.11 0.02) = 0.555% QG2 VAL 80 - HN LEU 17 4.762% * 0.2252% (0.27 0.02 0.02) = 0.225% QG2 VAL 87 - HN THR 96 4.762% * 0.0997% (0.12 0.02 0.02) = 0.100% QG1 VAL 47 - HN THR 96 4.762% * 0.0980% (0.12 0.02 0.02) = 0.098% HG12 ILE 68 - HN ILE 19 4.762% * 0.0667% (0.08 0.02 0.02) = 0.067% QG2 VAL 80 - HN THR 96 4.762% * 0.0308% (0.04 0.02 0.02) = 0.031% HG12 ILE 68 - HN THR 96 4.762% * 0.0175% (0.02 0.02 0.02) = 0.018% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 214 (1.60, 8.96, 124.53 ppm): 21 chemical-shift based assignments, quality = 0.656, support = 0.979, residual support = 0.602: HD3 LYS+ 32 - HN LEU 17 4.762% * 51.4949% (0.98 1.13 0.21) = 51.495% kept HD3 LYS+ 32 - HN ILE 19 4.762% * 15.7607% (0.35 0.97 1.57) = 15.761% kept HB3 LYS+ 32 - HN ILE 19 4.762% * 13.3705% (0.20 1.42 1.57) = 13.370% kept HB3 LYS+ 32 - HN LEU 17 4.762% * 7.3980% (0.57 0.28 0.21) = 7.398% kept HB ILE 68 - HN LEU 17 4.762% * 6.1183% (0.37 0.35 0.02) = 6.118% kept HG LEU 23 - HN ILE 19 4.762% * 1.9666% (0.10 0.43 1.16) = 1.967% kept HG3 LYS+ 78 - HN ILE 19 4.762% * 1.1963% (0.23 0.11 0.02) = 1.196% kept HG3 LYS+ 78 - HN LEU 17 4.762% * 0.5992% (0.65 0.02 0.02) = 0.599% HG LEU 43 - HN LEU 17 4.762% * 0.3476% (0.37 0.02 0.02) = 0.348% HG12 ILE 101 - HN LEU 17 4.762% * 0.3159% (0.34 0.02 0.02) = 0.316% HG LEU 23 - HN LEU 17 4.762% * 0.2575% (0.28 0.02 0.19) = 0.258% HG12 ILE 101 - HN THR 96 4.762% * 0.2456% (0.06 0.08 0.02) = 0.246% HD3 LYS+ 32 - HN THR 96 4.762% * 0.1721% (0.19 0.02 0.02) = 0.172% HB ILE 68 - HN ILE 19 4.762% * 0.1248% (0.13 0.02 0.02) = 0.125% HG LEU 43 - HN ILE 19 4.762% * 0.1248% (0.13 0.02 0.10) = 0.125% HG3 LYS+ 78 - HN THR 96 4.762% * 0.1136% (0.12 0.02 0.02) = 0.114% HG12 ILE 101 - HN ILE 19 4.762% * 0.1134% (0.12 0.02 0.02) = 0.113% HB3 LYS+ 32 - HN THR 96 4.762% * 0.0994% (0.11 0.02 0.02) = 0.099% HG LEU 43 - HN THR 96 4.762% * 0.0659% (0.07 0.02 0.02) = 0.066% HB ILE 68 - HN THR 96 4.762% * 0.0659% (0.07 0.02 0.02) = 0.066% HG LEU 23 - HN THR 96 4.762% * 0.0488% (0.05 0.02 0.02) = 0.049% Reference assignment not found: HB3 LEU 17 - HN THR 96 Peak 215 (0.93, 8.58, 124.50 ppm): 12 chemical-shift based assignments, quality = 0.635, support = 2.16, residual support = 10.1: * QG2 VAL 73 - HN VAL 73 8.333% * 47.9061% (0.48 3.94 19.96) = 47.906% kept HG12 ILE 68 - HN VAL 73 8.333% * 17.2062% (0.98 0.70 2.96) = 17.206% kept QG2 VAL 80 - HN VAL 73 8.333% * 12.0798% (0.86 0.56 0.02) = 12.080% kept QG2 VAL 62 - HN VAL 73 8.333% * 7.6106% (0.60 0.50 0.02) = 7.611% kept QD1 LEU 67 - HN VAL 73 8.333% * 3.8962% (0.22 0.70 0.02) = 3.896% kept QG2 VAL 105 - HN VAL 73 8.333% * 3.6405% (0.96 0.15 0.02) = 3.640% kept QG1 VAL 105 - HN VAL 73 8.333% * 3.4215% (0.92 0.15 0.02) = 3.421% kept QG2 ILE 29 - HN VAL 73 8.333% * 2.3005% (0.45 0.21 0.02) = 2.301% kept QG1 VAL 47 - HN VAL 73 8.333% * 0.8996% (0.17 0.21 0.02) = 0.900% HB2 ARG+ 84 - HN VAL 73 8.333% * 0.4895% (0.98 0.02 0.02) = 0.490% QD1 LEU 17 - HN VAL 73 8.333% * 0.4724% (0.94 0.02 0.21) = 0.472% QG2 VAL 99 - HN VAL 73 8.333% * 0.0771% (0.15 0.02 0.02) = 0.077% Peak 216 (4.57, 8.58, 124.50 ppm): 5 chemical-shift based assignments, quality = 0.642, support = 4.23, residual support = 16.1: * O HA LYS+ 72 - HN VAL 73 20.000% * 99.6641% (0.64 10.0 4.25 16.12) = 99.664% kept HA LYS+ 78 - HN VAL 73 20.000% * 0.1537% (0.99 1.0 0.02 0.02) = 0.154% HA LYS+ 55 - HN VAL 73 20.000% * 0.1058% (0.68 1.0 0.02 0.02) = 0.106% HA LEU 17 - HN VAL 73 20.000% * 0.0526% (0.34 1.0 0.02 0.21) = 0.053% HA ASP- 25 - HN VAL 73 20.000% * 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): 10 chemical-shift based assignments, quality = 0.254, support = 3.01, residual support = 19.2: * O HB VAL 73 - HN VAL 73 10.000% * 96.4029% (0.25 10.0 3.12 19.96) = 96.403% kept HG3 PRO 31 - HN VAL 73 10.000% * 1.4673% (0.99 1.0 0.08 0.02) = 1.467% kept HB ILE 29 - HN VAL 73 10.000% * 0.5556% (0.37 1.0 0.08 0.02) = 0.556% HB3 LYS+ 55 - HN VAL 73 10.000% * 0.3858% (0.99 1.0 0.02 0.02) = 0.386% HB2 GLU- 75 - HN VAL 73 10.000% * 0.3731% (0.96 1.0 0.02 0.02) = 0.373% HB VAL 13 - HN VAL 73 10.000% * 0.2955% (0.76 1.0 0.02 0.02) = 0.295% HB2 GLU- 10 - HN VAL 73 10.000% * 0.2807% (0.72 1.0 0.02 0.02) = 0.281% HB2 LEU 23 - HN VAL 73 10.000% * 0.0861% (0.22 1.0 0.02 0.02) = 0.086% HG3 PRO 104 - HN VAL 73 10.000% * 0.0765% (0.20 1.0 0.02 0.02) = 0.077% HB3 GLU- 56 - HN VAL 73 10.000% * 0.0765% (0.20 1.0 0.02 0.02) = 0.077% Peak 219 (1.82, 8.58, 124.50 ppm): 10 chemical-shift based assignments, quality = 0.702, support = 3.86, residual support = 15.7: * HD3 LYS+ 72 - HN VAL 73 10.000% * 76.9418% (0.86 3.72 16.12) = 76.942% kept HB3 LYS+ 72 - HN VAL 73 10.000% * 20.4253% (0.17 4.89 16.12) = 20.425% kept HB3 LYS+ 60 - HN VAL 73 10.000% * 1.0273% (0.20 0.22 0.02) = 1.027% kept HG3 LYS+ 108 - HN VAL 73 10.000% * 0.4607% (0.96 0.02 0.02) = 0.461% HB2 PRO 59 - HN VAL 73 10.000% * 0.3988% (0.83 0.02 0.02) = 0.399% HB3 ARG+ 84 - HN VAL 73 10.000% * 0.2512% (0.52 0.02 0.02) = 0.251% HB2 LYS+ 66 - HN VAL 73 10.000% * 0.2324% (0.48 0.02 0.02) = 0.232% HB3 LYS+ 108 - HN VAL 73 10.000% * 0.0945% (0.20 0.02 0.02) = 0.094% HB3 LYS+ 63 - HN VAL 73 10.000% * 0.0945% (0.20 0.02 0.02) = 0.094% HB2 PRO 104 - HN VAL 73 10.000% * 0.0737% (0.15 0.02 0.02) = 0.074% Peak 220 (4.17, 8.58, 124.50 ppm): 6 chemical-shift based assignments, quality = 0.765, support = 3.87, residual support = 19.2: * O HA VAL 73 - HN VAL 73 16.667% * 96.3393% (0.76 10.0 4.01 19.96) = 96.339% kept HA VAL 105 - HN VAL 73 16.667% * 1.7161% (0.94 1.0 0.29 0.02) = 1.716% kept HB THR 106 - HN VAL 73 16.667% * 1.7161% (0.94 1.0 0.29 0.02) = 1.716% kept HB3 SER 49 - HN VAL 73 16.667% * 0.1206% (0.95 1.0 0.02 0.02) = 0.121% HA VAL 87 - HN VAL 73 16.667% * 0.0765% (0.60 1.0 0.02 0.02) = 0.076% HB2 SER 88 - HN VAL 73 16.667% * 0.0314% (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 = 4.26, residual support = 16.1: * HG3 LYS+ 72 - HN VAL 73 20.000% * 52.6818% (0.52 4.01 16.12) = 52.682% kept HB2 LYS+ 72 - HN VAL 73 20.000% * 46.9264% (0.41 4.57 16.12) = 46.926% kept HD3 LYS+ 108 - HN VAL 73 20.000% * 0.1541% (0.31 0.02 0.02) = 0.154% QG2 THR 24 - HN VAL 73 20.000% * 0.1388% (0.28 0.02 0.02) = 0.139% HG13 ILE 29 - HN VAL 73 20.000% * 0.0988% (0.20 0.02 0.02) = 0.099% Peak 222 (4.72, 8.58, 124.50 ppm): 6 chemical-shift based assignments, quality = 0.854, support = 0.203, residual support = 0.133: HA THR 39 - HN VAL 73 16.667% * 65.0883% (0.89 0.28 0.19) = 65.088% kept HA THR 61 - HN VAL 73 16.667% * 19.3844% (0.76 0.10 0.02) = 19.384% kept HA LYS+ 20 - HN VAL 73 16.667% * 5.1056% (0.98 0.02 0.02) = 5.106% kept HA2 GLY 30 - HN VAL 73 16.667% * 4.9273% (0.94 0.02 0.02) = 4.927% kept HA VAL 99 - HN VAL 73 16.667% * 3.1593% (0.60 0.02 0.02) = 3.159% kept HA GLN 16 - HN VAL 73 16.667% * 2.3352% (0.45 0.02 0.02) = 2.335% kept Not enough support, support cutoff is 0.30 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): 5 chemical-shift based assignments, quality = 0.808, support = 1.03, residual support = 0.742: HB THR 46 - HN GLU- 56 20.000% * 58.8267% (0.87 1.40 1.20) = 58.827% kept HB THR 79 - HN GLU- 56 20.000% * 24.7610% (0.90 0.57 0.14) = 24.761% kept HA SER 77 - HN GLU- 56 20.000% * 12.8476% (0.57 0.47 0.02) = 12.848% kept HA LYS+ 32 - HN GLU- 56 20.000% * 2.6585% (0.15 0.36 0.02) = 2.658% kept HA ALA 103 - HN GLU- 56 20.000% * 0.9063% (0.22 0.08 0.02) = 0.906% Reference assignment not found: HA LYS+ 55 - HN GLU- 56 Peak 227 (1.96, 8.74, 124.39 ppm): 8 chemical-shift based assignments, quality = 0.644, support = 2.17, residual support = 5.71: * HB3 LYS+ 55 - HN GLU- 56 12.500% * 86.7059% (0.65 2.48 6.58) = 86.706% kept HB VAL 73 - HN GLU- 56 12.500% * 4.6413% (0.80 0.11 0.02) = 4.641% kept HG3 PRO 31 - HN GLU- 56 12.500% * 3.6419% (0.69 0.10 0.02) = 3.642% kept HB2 GLU- 75 - HN GLU- 56 12.500% * 2.7039% (0.45 0.11 0.02) = 2.704% kept HB VAL 13 - HN GLU- 56 12.500% * 1.0411% (0.96 0.02 0.02) = 1.041% kept HG3 PRO 104 - HN GLU- 56 12.500% * 0.7834% (0.73 0.02 0.02) = 0.783% HB2 LYS+ 108 - HN GLU- 56 12.500% * 0.2690% (0.25 0.02 0.02) = 0.269% HB2 GLU- 10 - HN GLU- 56 12.500% * 0.2135% (0.20 0.02 0.02) = 0.213% Peak 228 (2.32, 8.74, 124.39 ppm): 5 chemical-shift based assignments, quality = 0.804, support = 0.37, residual support = 0.0912: HB3 PRO 35 - HN GLU- 56 20.000% * 50.1801% (0.99 0.45 0.16) = 50.180% kept HB3 PRO 86 - HN GLU- 56 20.000% * 22.1338% (0.83 0.23 0.02) = 22.134% kept HA1 GLY 58 - HN GLU- 56 20.000% * 13.6177% (0.58 0.21 0.02) = 13.618% kept HB2 PRO 86 - HN GLU- 56 20.000% * 11.9856% (0.20 0.54 0.02) = 11.986% kept HB2 TYR 83 - HN GLU- 56 20.000% * 2.0828% (0.92 0.02 0.02) = 2.083% kept Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 229 (2.11, 8.74, 124.39 ppm): 11 chemical-shift based assignments, quality = 0.722, support = 0.499, residual support = 0.205: HG3 GLU- 64 - HN GLU- 56 9.091% * 35.3823% (0.85 0.83 0.39) = 35.382% kept HB VAL 87 - HN GLU- 56 9.091% * 13.8352% (0.94 0.29 0.02) = 13.835% kept HG2 GLU- 64 - HN GLU- 56 9.091% * 12.3396% (0.48 0.52 0.39) = 12.340% kept HB VAL 65 - HN GLU- 56 9.091% * 8.9870% (0.73 0.25 0.02) = 8.987% kept HG2 GLU- 45 - HN GLU- 56 9.091% * 8.0980% (0.53 0.31 0.02) = 8.098% kept HB3 PRO 35 - HN GLU- 56 9.091% * 7.7599% (0.35 0.45 0.16) = 7.760% kept HB3 GLU- 75 - HN GLU- 56 9.091% * 7.0916% (0.96 0.15 0.02) = 7.092% kept HB VAL 105 - HN GLU- 56 9.091% * 3.0340% (0.73 0.08 0.02) = 3.034% kept HA1 GLY 58 - HN GLU- 56 9.091% * 2.2328% (0.21 0.21 0.02) = 2.233% kept HB3 LEU 43 - HN GLU- 56 9.091% * 0.9918% (1.00 0.02 0.02) = 0.992% HB2 ASP- 28 - HN GLU- 56 9.091% * 0.2479% (0.25 0.02 0.02) = 0.248% Reference assignment not found: HG3 GLU- 56 - HN GLU- 56 Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 230 (4.25, 8.74, 124.39 ppm): 21 chemical-shift based assignments, quality = 0.949, support = 1.55, residual support = 1.19: * O HA GLU- 56 - HN GLU- 56 4.762% * 89.2607% (1.00 10.0 1.63 1.31) = 89.261% kept HA GLU- 54 - HN GLU- 56 4.762% * 4.5582% (0.57 1.0 1.46 0.02) = 4.558% kept HA GLU- 64 - HN GLU- 56 4.762% * 4.0477% (0.83 1.0 0.88 0.39) = 4.048% kept HA VAL 65 - HN GLU- 56 4.762% * 0.7204% (0.53 1.0 0.25 0.02) = 0.720% HA ASN 76 - HN GLU- 56 4.762% * 0.4815% (1.00 1.0 0.09 0.02) = 0.481% HA GLU- 107 - HN GLU- 56 4.762% * 0.1100% (1.00 1.0 0.02 0.02) = 0.110% HA ALA 11 - HN GLU- 56 4.762% * 0.1078% (0.98 1.0 0.02 0.02) = 0.108% HA GLU- 75 - HN GLU- 56 4.762% * 0.0954% (0.87 1.0 0.02 0.02) = 0.095% HA PRO 59 - HN GLU- 56 4.762% * 0.0919% (0.83 1.0 0.02 0.02) = 0.092% HA GLU- 10 - HN GLU- 56 4.762% * 0.0623% (0.57 1.0 0.02 0.02) = 0.062% HA LYS+ 108 - HN GLU- 56 4.762% * 0.0623% (0.57 1.0 0.02 0.02) = 0.062% HA ARG+ 84 - HN GLU- 56 4.762% * 0.0493% (0.45 1.0 0.02 0.02) = 0.049% HA SER 85 - HN GLU- 56 4.762% * 0.0493% (0.45 1.0 0.02 0.02) = 0.049% HA PRO 52 - HN GLU- 56 4.762% * 0.0493% (0.45 1.0 0.02 0.02) = 0.049% HD3 PRO 59 - HN GLU- 56 4.762% * 0.0493% (0.45 1.0 0.02 0.02) = 0.049% HA VAL 94 - HN GLU- 56 4.762% * 0.0452% (0.41 1.0 0.02 0.02) = 0.045% HA ALA 42 - HN GLU- 56 4.762% * 0.0413% (0.37 1.0 0.02 0.02) = 0.041% HA SER 49 - HN GLU- 56 4.762% * 0.0339% (0.31 1.0 0.02 0.02) = 0.034% HB3 SER 49 - HN GLU- 56 4.762% * 0.0320% (0.29 1.0 0.02 0.02) = 0.032% HA GLU- 18 - HN GLU- 56 4.762% * 0.0306% (0.28 1.0 0.02 0.02) = 0.031% HA LEU 90 - HN GLU- 56 4.762% * 0.0218% (0.20 1.0 0.02 0.02) = 0.022% Peak 231 (7.81, 8.74, 124.39 ppm): 5 chemical-shift based assignments, quality = 0.915, support = 1.86, residual support = 5.78: * T HN LYS+ 55 - HN GLU- 56 20.000% * 87.4585% (0.99 10.00 2.03 6.58) = 87.458% kept T HN LYS+ 63 - HN GLU- 56 20.000% * 9.0468% (0.41 10.00 0.50 0.02) = 9.047% kept HN THR 46 - HN GLU- 56 20.000% * 2.2298% (0.34 1.00 1.48 1.20) = 2.230% kept HN VAL 87 - HN GLU- 56 20.000% * 1.1858% (0.37 1.00 0.72 0.02) = 1.186% kept HN ALA 93 - HN GLU- 56 20.000% * 0.0791% (0.90 1.00 0.02 0.02) = 0.079% Peak 232 (1.31, 8.74, 124.39 ppm): 5 chemical-shift based assignments, quality = 0.744, support = 1.71, residual support = 4.2: * HB2 LYS+ 55 - HN GLU- 56 20.000% * 56.5837% (0.73 2.05 6.58) = 56.584% kept QG2 THR 46 - HN GLU- 56 20.000% * 40.0143% (0.76 1.38 1.20) = 40.014% kept QB ALA 103 - HN GLU- 56 20.000% * 3.0215% (0.94 0.08 0.02) = 3.021% kept HG13 ILE 101 - HN GLU- 56 20.000% * 0.2113% (0.28 0.02 0.02) = 0.211% HG2 LYS+ 81 - HN GLU- 56 20.000% * 0.1692% (0.22 0.02 0.02) = 0.169% Peak 233 (1.54, 7.73, 124.20 ppm): 9 chemical-shift based assignments, quality = 0.677, support = 3.54, residual support = 15.5: O QB ALA 42 - HN ALA 42 11.111% * 98.0745% (0.69 10.0 3.60 15.85) = 98.075% kept HD3 LYS+ 60 - HN ALA 42 11.111% * 1.3254% (0.34 1.0 0.54 0.02) = 1.325% kept QG2 THR 24 - HN ALA 42 11.111% * 0.1351% (0.94 1.0 0.02 0.02) = 0.135% HG13 ILE 29 - HN ALA 42 11.111% * 0.1238% (0.87 1.0 0.02 0.02) = 0.124% HB3 LEU 90 - HN ALA 42 11.111% * 0.1091% (0.76 1.0 0.02 0.02) = 0.109% HG12 ILE 29 - HN ALA 42 11.111% * 0.0981% (0.69 1.0 0.02 0.02) = 0.098% HD3 LYS+ 81 - HN ALA 42 11.111% * 0.0587% (0.41 1.0 0.02 0.02) = 0.059% HG LEU 17 - HN ALA 42 11.111% * 0.0397% (0.28 1.0 0.02 0.02) = 0.040% HB ILE 19 - HN ALA 42 11.111% * 0.0356% (0.25 1.0 0.02 0.02) = 0.036% Reference assignment not found: HG LEU 43 - HN ALA 42 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): 3 chemical-shift based assignments, quality = 0.984, support = 1.69, residual support = 9.84: * HB3 SER 41 - HN ALA 42 33.333% * 98.4735% (1.00 1.71 9.99) = 98.473% kept HD3 PRO 86 - HN ALA 42 33.333% * 0.9212% (0.80 0.02 0.02) = 0.921% HA2 GLY 92 - HN ALA 42 33.333% * 0.6053% (0.53 0.02 0.02) = 0.605% Peak 236 (4.22, 7.73, 124.20 ppm): 10 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 15.7: * O HA ALA 42 - HN ALA 42 10.000% * 99.2298% (0.73 10.0 3.22 15.85) = 99.230% kept HA GLU- 12 - HN ALA 42 10.000% * 0.1339% (0.98 1.0 0.02 0.02) = 0.134% HA GLU- 18 - HN ALA 42 10.000% * 0.1141% (0.83 1.0 0.02 0.02) = 0.114% HA SER 49 - HN ALA 42 10.000% * 0.1094% (0.80 1.0 0.02 0.02) = 0.109% HA ASP- 82 - HN ALA 42 10.000% * 0.0829% (0.61 1.0 0.02 0.02) = 0.083% HB3 SER 49 - HN ALA 42 10.000% * 0.0761% (0.56 1.0 0.02 0.02) = 0.076% HA LYS+ 108 - HN ALA 42 10.000% * 0.0719% (0.53 1.0 0.02 0.02) = 0.072% HA GLU- 10 - HN ALA 42 10.000% * 0.0719% (0.53 1.0 0.02 0.02) = 0.072% HA GLU- 54 - HN ALA 42 10.000% * 0.0719% (0.53 1.0 0.02 0.02) = 0.072% HA PRO 59 - HN ALA 42 10.000% * 0.0380% (0.28 1.0 0.02 0.02) = 0.038% Peak 237 (8.16, 7.73, 124.20 ppm): 3 chemical-shift based assignments, quality = 0.996, support = 2.69, residual support = 9.98: * T HN SER 41 - HN ALA 42 33.333% * 99.9177% (1.00 10.00 2.69 9.99) = 99.918% kept HN SER 77 - HN ALA 42 33.333% * 0.0648% (0.65 1.00 0.02 0.02) = 0.065% HN ALA 33 - HN ALA 42 33.333% * 0.0175% (0.17 1.00 0.02 0.02) = 0.018% Peak 238 (1.38, 7.73, 124.20 ppm): 13 chemical-shift based assignments, quality = 0.878, support = 1.86, residual support = 6.39: QG2 THR 39 - HN ALA 42 7.692% * 81.8567% (0.94 2.21 7.80) = 81.857% kept HG2 LYS+ 78 - HN ALA 42 7.692% * 12.4530% (0.80 0.40 0.02) = 12.453% kept QB ALA 37 - HN ALA 42 7.692% * 2.1122% (0.22 0.24 0.02) = 2.112% kept HG13 ILE 68 - HN ALA 42 7.692% * 0.7828% (1.00 0.02 0.02) = 0.783% HD3 LYS+ 20 - HN ALA 42 7.692% * 0.5983% (0.76 0.02 0.02) = 0.598% QB ALA 11 - HN ALA 42 7.692% * 0.3810% (0.49 0.02 0.02) = 0.381% HB3 LYS+ 20 - HN ALA 42 7.692% * 0.3510% (0.45 0.02 0.02) = 0.351% QB ALA 93 - HN ALA 42 7.692% * 0.3218% (0.41 0.02 0.02) = 0.322% HG13 ILE 100 - HN ALA 42 7.692% * 0.3218% (0.41 0.02 0.02) = 0.322% HG LEU 67 - HN ALA 42 7.692% * 0.2938% (0.37 0.02 0.02) = 0.294% HB3 LEU 17 - HN ALA 42 7.692% * 0.2177% (0.28 0.02 0.02) = 0.218% HG3 ARG+ 22 - HN ALA 42 7.692% * 0.1549% (0.20 0.02 0.02) = 0.155% HG3 LYS+ 81 - HN ALA 42 7.692% * 0.1549% (0.20 0.02 0.02) = 0.155% Peak 239 (7.97, 7.73, 124.20 ppm): 2 chemical-shift based assignments, quality = 0.799, support = 4.53, residual support = 18.1: * T HN LEU 43 - HN ALA 42 50.000% * 99.9440% (0.80 10.00 4.53 18.07) = 99.944% kept HN LYS+ 72 - HN ALA 42 50.000% * 0.0560% (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 = 2.16, residual support = 7.72: * T HN THR 39 - HN ALA 42 25.000% * 98.9238% (0.99 10.00 2.18 7.80) = 98.924% kept HN LYS+ 20 - HN ALA 42 25.000% * 0.8788% (0.49 1.00 0.36 0.02) = 0.879% HN VAL 80 - HN ALA 42 25.000% * 0.0996% (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 (8.45, 8.47, 124.23 ppm): 2 diagonal assignments: * HN GLU- 107 - HN GLU- 107 (0.80) kept HN GLU- 18 - HN GLU- 18 (0.07) kept Peak 242 (4.29, 8.47, 124.23 ppm): 39 chemical-shift based assignments, quality = 0.941, support = 1.1, residual support = 2.99: * O HA THR 106 - HN GLU- 107 2.564% * 94.1783% (0.99 10.0 1.13 3.17) = 94.178% kept HA LEU 90 - HN GLU- 18 2.564% * 2.3881% (0.30 1.0 0.94 0.11) = 2.388% kept HA ASP- 36 - HN GLU- 18 2.564% * 1.2983% (0.35 1.0 0.43 0.02) = 1.298% kept HA THR 106 - HN GLU- 18 2.564% * 0.3963% (0.37 1.0 0.13 0.02) = 0.396% HA ASP- 36 - HN GLU- 107 2.564% * 0.1585% (0.94 1.0 0.02 0.02) = 0.159% HA LEU 90 - HN GLU- 107 2.564% * 0.1342% (0.80 1.0 0.02 0.02) = 0.134% HA VAL 94 - HN GLU- 107 2.564% * 0.0882% (0.52 1.0 0.02 0.02) = 0.088% HA ILE 29 - HN GLU- 107 2.564% * 0.0816% (0.48 1.0 0.02 0.02) = 0.082% HD3 PRO 59 - HN GLU- 107 2.564% * 0.0816% (0.48 1.0 0.02 0.02) = 0.082% HA ARG+ 84 - HN GLU- 107 2.564% * 0.0816% (0.48 1.0 0.02 0.02) = 0.082% HA SER 85 - HN GLU- 107 2.564% * 0.0816% (0.48 1.0 0.02 0.02) = 0.082% HA PRO 52 - HN GLU- 107 2.564% * 0.0816% (0.48 1.0 0.02 0.02) = 0.082% HA THR 106 - HN GLU- 10 2.564% * 0.0766% (0.45 1.0 0.02 0.02) = 0.077% HA ASP- 36 - HN GLU- 10 2.564% * 0.0731% (0.43 1.0 0.02 0.11) = 0.073% HA VAL 65 - HN GLU- 107 2.564% * 0.0689% (0.41 1.0 0.02 0.02) = 0.069% HA LEU 90 - HN GLU- 10 2.564% * 0.0619% (0.37 1.0 0.02 0.02) = 0.062% HA ALA 93 - HN GLU- 107 2.564% * 0.0517% (0.31 1.0 0.02 0.02) = 0.052% HA VAL 94 - HN GLU- 10 2.564% * 0.0407% (0.24 1.0 0.02 0.02) = 0.041% HA ILE 29 - HN GLU- 10 2.564% * 0.0376% (0.22 1.0 0.02 0.02) = 0.038% HA PRO 52 - HN GLU- 10 2.564% * 0.0376% (0.22 1.0 0.02 0.02) = 0.038% HD3 PRO 59 - HN GLU- 10 2.564% * 0.0376% (0.22 1.0 0.02 0.02) = 0.038% HA ARG+ 84 - HN GLU- 10 2.564% * 0.0376% (0.22 1.0 0.02 0.02) = 0.038% HA SER 85 - HN GLU- 10 2.564% * 0.0376% (0.22 1.0 0.02 0.02) = 0.038% HA VAL 94 - HN GLU- 18 2.564% * 0.0332% (0.20 1.0 0.02 3.18) = 0.033% HA VAL 65 - HN GLU- 10 2.564% * 0.0318% (0.19 1.0 0.02 0.02) = 0.032% HA ILE 29 - HN GLU- 18 2.564% * 0.0307% (0.18 1.0 0.02 0.02) = 0.031% HA PRO 52 - HN GLU- 18 2.564% * 0.0307% (0.18 1.0 0.02 0.02) = 0.031% HD3 PRO 59 - HN GLU- 18 2.564% * 0.0307% (0.18 1.0 0.02 0.02) = 0.031% HA ARG+ 84 - HN GLU- 18 2.564% * 0.0307% (0.18 1.0 0.02 1.52) = 0.031% HA SER 85 - HN GLU- 18 2.564% * 0.0307% (0.18 1.0 0.02 0.74) = 0.031% HA GLU- 64 - HN GLU- 107 2.564% * 0.0293% (0.17 1.0 0.02 0.02) = 0.029% HA VAL 65 - HN GLU- 18 2.564% * 0.0260% (0.15 1.0 0.02 0.02) = 0.026% HA GLU- 75 - HN GLU- 107 2.564% * 0.0259% (0.15 1.0 0.02 0.02) = 0.026% HA ALA 93 - HN GLU- 10 2.564% * 0.0239% (0.14 1.0 0.02 0.02) = 0.024% HA ALA 93 - HN GLU- 18 2.564% * 0.0195% (0.12 1.0 0.02 0.02) = 0.019% HA GLU- 64 - HN GLU- 10 2.564% * 0.0135% (0.08 1.0 0.02 0.02) = 0.014% HA GLU- 75 - HN GLU- 10 2.564% * 0.0119% (0.07 1.0 0.02 0.02) = 0.012% HA GLU- 64 - HN GLU- 18 2.564% * 0.0111% (0.07 1.0 0.02 0.02) = 0.011% HA GLU- 75 - HN GLU- 18 2.564% * 0.0097% (0.06 1.0 0.02 0.02) = 0.010% Peak 243 (1.88, 8.47, 124.23 ppm): 18 chemical-shift based assignments, quality = 0.427, support = 3.57, residual support = 17.3: HG2 GLU- 18 - HN GLU- 18 5.556% * 49.7123% (0.34 5.57 34.18) = 49.712% kept HB3 GLN 16 - HN GLU- 18 5.556% * 25.2675% (0.34 2.83 1.38) = 25.267% kept HB3 GLN 16 - HN GLU- 107 5.556% * 11.0341% (0.89 0.47 0.02) = 11.034% kept HG2 GLU- 18 - HN GLU- 107 5.556% * 5.8040% (0.89 0.25 0.02) = 5.804% kept HB3 GLN 16 - HN GLU- 10 5.556% * 4.0847% (0.41 0.37 0.02) = 4.085% kept HB3 ARG+ 53 - HN GLU- 18 5.556% * 1.9863% (0.20 0.38 0.02) = 1.986% kept HG2 GLU- 18 - HN GLU- 10 5.556% * 1.0693% (0.41 0.10 0.02) = 1.069% kept HB3 ARG+ 53 - HN GLU- 107 5.556% * 0.2779% (0.52 0.02 0.02) = 0.278% HB3 GLN 102 - HN GLU- 107 5.556% * 0.1469% (0.28 0.02 0.02) = 0.147% HB3 ARG+ 53 - HN GLU- 10 5.556% * 0.1282% (0.24 0.02 0.02) = 0.128% HB VAL 94 - HN GLU- 107 5.556% * 0.1176% (0.22 0.02 0.02) = 0.118% HD3 LYS+ 63 - HN GLU- 107 5.556% * 0.0815% (0.15 0.02 0.02) = 0.082% HB3 GLN 102 - HN GLU- 10 5.556% * 0.0677% (0.13 0.02 0.02) = 0.068% HB3 GLN 102 - HN GLU- 18 5.556% * 0.0553% (0.10 0.02 1.09) = 0.055% HB VAL 94 - HN GLU- 10 5.556% * 0.0542% (0.10 0.02 0.02) = 0.054% HB VAL 94 - HN GLU- 18 5.556% * 0.0443% (0.08 0.02 3.18) = 0.044% HD3 LYS+ 63 - HN GLU- 10 5.556% * 0.0376% (0.07 0.02 0.02) = 0.038% HD3 LYS+ 63 - HN GLU- 18 5.556% * 0.0307% (0.06 0.02 0.02) = 0.031% Reference assignment not found: HB2 GLU- 10 - HN GLU- 10 Peak 244 (4.81, 8.47, 124.23 ppm): 6 chemical-shift based assignments, quality = 0.368, support = 2.04, residual support = 3.49: HB THR 39 - HN GLU- 18 16.667% * 45.8318% (0.37 2.07 1.99) = 45.832% kept HA LEU 23 - HN GLU- 18 16.667% * 45.2734% (0.31 2.40 5.70) = 45.273% kept HA LEU 23 - HN GLU- 107 16.667% * 4.3286% (0.83 0.09 0.02) = 4.329% kept HA LEU 23 - HN GLU- 10 16.667% * 2.8492% (0.38 0.12 0.02) = 2.849% kept HB THR 39 - HN GLU- 107 16.667% * 1.1752% (0.98 0.02 0.02) = 1.175% kept HB THR 39 - HN GLU- 10 16.667% * 0.5419% (0.45 0.02 0.02) = 0.542% Reference assignment not found: HA GLU- 107 - HN GLU- 107 Peak 245 (2.22, 8.47, 124.23 ppm): 42 chemical-shift based assignments, quality = 0.316, support = 3.34, residual support = 17.9: HG3 GLU- 18 - HN GLU- 18 2.381% * 46.9253% (0.37 5.48 34.18) = 46.925% kept HG3 GLN 16 - HN GLU- 18 2.381% * 12.5396% (0.24 2.26 1.38) = 12.540% kept HG3 GLU- 10 - HN GLU- 10 2.381% * 11.6610% (0.17 2.96 14.46) = 11.661% kept HG3 GLN 16 - HN GLU- 107 2.381% * 6.8663% (0.64 0.47 0.02) = 6.866% kept HA1 GLY 58 - HN GLU- 18 2.381% * 4.7888% (0.14 1.47 0.78) = 4.789% kept HG3 GLU- 18 - HN GLU- 10 2.381% * 3.7639% (0.46 0.36 0.02) = 3.764% kept HB3 PRO 35 - HN GLU- 18 2.381% * 2.8787% (0.30 0.41 0.02) = 2.879% kept HG3 GLN 16 - HN GLU- 10 2.381% * 2.5419% (0.30 0.37 0.02) = 2.542% kept HG3 MET 97 - HN GLU- 18 2.381% * 1.4357% (0.36 0.17 0.02) = 1.436% kept HB2 GLU- 50 - HN GLU- 107 2.381% * 0.4547% (0.99 0.02 0.02) = 0.455% HG3 GLU- 18 - HN GLU- 107 2.381% * 0.4547% (0.99 0.02 0.02) = 0.455% HG3 GLN 102 - HN GLU- 107 2.381% * 0.4398% (0.96 0.02 0.02) = 0.440% HG3 MET 97 - HN GLU- 107 2.381% * 0.4398% (0.96 0.02 0.02) = 0.440% HG2 GLU- 64 - HN GLU- 107 2.381% * 0.4060% (0.89 0.02 0.02) = 0.406% HB3 PRO 52 - HN GLU- 107 2.381% * 0.3953% (0.86 0.02 0.02) = 0.395% HB3 PRO 35 - HN GLU- 107 2.381% * 0.3703% (0.81 0.02 0.02) = 0.370% HG3 GLU- 64 - HN GLU- 107 2.381% * 0.2642% (0.58 0.02 0.02) = 0.264% HB2 GLU- 50 - HN GLU- 10 2.381% * 0.2097% (0.46 0.02 0.02) = 0.210% HG3 GLU- 56 - HN GLU- 107 2.381% * 0.2043% (0.45 0.02 0.02) = 0.204% HG3 GLN 102 - HN GLU- 10 2.381% * 0.2028% (0.44 0.02 0.02) = 0.203% HG3 MET 97 - HN GLU- 10 2.381% * 0.2028% (0.44 0.02 0.02) = 0.203% HG2 GLU- 64 - HN GLU- 10 2.381% * 0.1872% (0.41 0.02 0.02) = 0.187% HB3 PRO 52 - HN GLU- 10 2.381% * 0.1823% (0.40 0.02 0.02) = 0.182% HA1 GLY 58 - HN GLU- 107 2.381% * 0.1732% (0.38 0.02 0.02) = 0.173% HB2 GLU- 50 - HN GLU- 18 2.381% * 0.1713% (0.37 0.02 0.02) = 0.171% HG3 GLU- 10 - HN GLU- 107 2.381% * 0.1710% (0.37 0.02 0.02) = 0.171% HB3 PRO 35 - HN GLU- 10 2.381% * 0.1707% (0.37 0.02 0.02) = 0.171% HG3 GLN 102 - HN GLU- 18 2.381% * 0.1657% (0.36 0.02 1.09) = 0.166% HG2 GLU- 56 - HN GLU- 107 2.381% * 0.1554% (0.34 0.02 0.02) = 0.155% HG2 GLU- 64 - HN GLU- 18 2.381% * 0.1529% (0.33 0.02 0.02) = 0.153% HB3 PRO 52 - HN GLU- 18 2.381% * 0.1489% (0.33 0.02 0.02) = 0.149% HG3 GLU- 64 - HN GLU- 10 2.381% * 0.1218% (0.27 0.02 0.02) = 0.122% HB3 ASN 15 - HN GLU- 107 2.381% * 0.1136% (0.25 0.02 0.02) = 0.114% HG3 GLU- 64 - HN GLU- 18 2.381% * 0.0995% (0.22 0.02 0.02) = 0.100% HG3 GLU- 56 - HN GLU- 10 2.381% * 0.0942% (0.21 0.02 0.02) = 0.094% HA1 GLY 58 - HN GLU- 10 2.381% * 0.0799% (0.17 0.02 0.02) = 0.080% HG3 GLU- 56 - HN GLU- 18 2.381% * 0.0770% (0.17 0.02 0.02) = 0.077% HG2 GLU- 56 - HN GLU- 10 2.381% * 0.0717% (0.16 0.02 0.02) = 0.072% HG3 GLU- 10 - HN GLU- 18 2.381% * 0.0644% (0.14 0.02 0.02) = 0.064% HG2 GLU- 56 - HN GLU- 18 2.381% * 0.0586% (0.13 0.02 0.02) = 0.059% HB3 ASN 15 - HN GLU- 10 2.381% * 0.0524% (0.11 0.02 0.02) = 0.052% HB3 ASN 15 - HN GLU- 18 2.381% * 0.0428% (0.09 0.02 0.33) = 0.043% Reference assignment not found: HG3 GLU- 107 - HN GLU- 107 Peak 246 (4.68, 8.47, 124.23 ppm): 15 chemical-shift based assignments, quality = 0.237, support = 1.86, residual support = 1.08: HA GLN 16 - HN GLU- 18 6.667% * 77.7968% (0.17 2.38 1.38) = 77.797% kept HA GLN 16 - HN GLU- 10 6.667% * 3.9227% (0.21 0.10 0.02) = 3.923% kept HA ASN 89 - HN GLU- 107 6.667% * 3.7996% (0.98 0.02 0.02) = 3.800% kept HA TYR 83 - HN GLU- 107 6.667% * 3.2378% (0.83 0.02 0.02) = 3.238% kept HA ASN 89 - HN GLU- 10 6.667% * 1.7521% (0.45 0.02 0.02) = 1.752% kept HA GLN 16 - HN GLU- 107 6.667% * 1.7379% (0.45 0.02 0.02) = 1.738% kept HA TYR 83 - HN GLU- 10 6.667% * 1.4931% (0.38 0.02 0.02) = 1.493% kept HA ASN 89 - HN GLU- 18 6.667% * 1.4314% (0.37 0.02 0.02) = 1.431% kept HA TYR 83 - HN GLU- 18 6.667% * 1.2198% (0.31 0.02 0.02) = 1.220% kept HA VAL 99 - HN GLU- 107 6.667% * 1.1964% (0.31 0.02 0.02) = 1.196% kept HA THR 61 - HN GLU- 107 6.667% * 0.7671% (0.20 0.02 0.02) = 0.767% HA VAL 99 - HN GLU- 10 6.667% * 0.5517% (0.14 0.02 0.02) = 0.552% HA VAL 99 - HN GLU- 18 6.667% * 0.4507% (0.12 0.02 0.30) = 0.451% HA THR 61 - HN GLU- 10 6.667% * 0.3538% (0.09 0.02 0.02) = 0.354% HA THR 61 - HN GLU- 18 6.667% * 0.2890% (0.07 0.02 0.02) = 0.289% Peak 247 (2.03, 8.47, 124.23 ppm): 36 chemical-shift based assignments, quality = 0.473, support = 2.21, residual support = 10.1: * O HB3 GLU- 107 - HN GLU- 107 2.778% * 54.6202% (0.60 10.0 1.87 2.64) = 54.620% kept O HB3 GLU- 10 - HN GLU- 10 2.778% * 30.4740% (0.40 10.0 1.58 14.46) = 30.474% kept O HB2 GLU- 18 - HN GLU- 18 2.778% * 12.3926% (0.13 10.0 5.65 34.18) = 12.393% kept HB3 GLU- 75 - HN GLU- 107 2.778% * 1.1046% (0.55 1.0 0.42 0.02) = 1.105% kept HB2 GLU- 18 - HN GLU- 10 2.778% * 0.2723% (0.16 1.0 0.36 0.02) = 0.272% HB3 GLU- 45 - HN GLU- 107 2.778% * 0.0931% (0.96 1.0 0.02 0.02) = 0.093% HB3 GLU- 54 - HN GLU- 107 2.778% * 0.0912% (0.94 1.0 0.02 0.02) = 0.091% HB3 GLU- 10 - HN GLU- 107 2.778% * 0.0837% (0.86 1.0 0.02 0.02) = 0.084% HB3 GLU- 75 - HN GLU- 18 2.778% * 0.0794% (0.21 1.0 0.08 0.02) = 0.079% HG3 PRO 86 - HN GLU- 107 2.778% * 0.0772% (0.80 1.0 0.02 0.02) = 0.077% HB3 PRO 31 - HN GLU- 107 2.778% * 0.0772% (0.80 1.0 0.02 0.02) = 0.077% HB2 GLU- 45 - HN GLU- 107 2.778% * 0.0507% (0.52 1.0 0.02 0.02) = 0.051% HB3 GLU- 45 - HN GLU- 10 2.778% * 0.0429% (0.44 1.0 0.02 0.02) = 0.043% HB3 GLU- 54 - HN GLU- 10 2.778% * 0.0421% (0.43 1.0 0.02 0.02) = 0.042% HG3 PRO 86 - HN GLU- 10 2.778% * 0.0356% (0.37 1.0 0.02 0.02) = 0.036% HB3 PRO 31 - HN GLU- 10 2.778% * 0.0356% (0.37 1.0 0.02 0.02) = 0.036% HB3 GLU- 45 - HN GLU- 18 2.778% * 0.0351% (0.36 1.0 0.02 0.58) = 0.035% HB3 GLU- 54 - HN GLU- 18 2.778% * 0.0344% (0.35 1.0 0.02 0.18) = 0.034% HB2 GLU- 18 - HN GLU- 107 2.778% * 0.0329% (0.34 1.0 0.02 0.02) = 0.033% HB3 GLU- 10 - HN GLU- 18 2.778% * 0.0315% (0.33 1.0 0.02 0.02) = 0.032% HG3 PRO 86 - HN GLU- 18 2.778% * 0.0291% (0.30 1.0 0.02 0.02) = 0.029% HB3 PRO 31 - HN GLU- 18 2.778% * 0.0291% (0.30 1.0 0.02 0.02) = 0.029% HB3 GLU- 107 - HN GLU- 10 2.778% * 0.0270% (0.28 1.0 0.02 0.02) = 0.027% HB3 GLU- 75 - HN GLU- 10 2.778% * 0.0244% (0.25 1.0 0.02 0.02) = 0.024% HB2 HIS+ 14 - HN GLU- 107 2.778% * 0.0240% (0.25 1.0 0.02 0.02) = 0.024% HB2 GLU- 45 - HN GLU- 10 2.778% * 0.0234% (0.24 1.0 0.02 0.02) = 0.023% HB3 GLU- 107 - HN GLU- 18 2.778% * 0.0220% (0.23 1.0 0.02 0.02) = 0.022% HG3 GLU- 64 - HN GLU- 107 2.778% * 0.0219% (0.23 1.0 0.02 0.02) = 0.022% HB2 GLU- 45 - HN GLU- 18 2.778% * 0.0191% (0.20 1.0 0.02 0.58) = 0.019% HG2 PRO 86 - HN GLU- 107 2.778% * 0.0191% (0.20 1.0 0.02 0.02) = 0.019% HB2 HIS+ 14 - HN GLU- 10 2.778% * 0.0111% (0.11 1.0 0.02 0.02) = 0.011% HG3 GLU- 64 - HN GLU- 10 2.778% * 0.0101% (0.10 1.0 0.02 0.02) = 0.010% HB2 HIS+ 14 - HN GLU- 18 2.778% * 0.0091% (0.09 1.0 0.02 0.15) = 0.009% HG2 PRO 86 - HN GLU- 10 2.778% * 0.0088% (0.09 1.0 0.02 0.02) = 0.009% HG3 GLU- 64 - HN GLU- 18 2.778% * 0.0083% (0.09 1.0 0.02 0.02) = 0.008% HG2 PRO 86 - HN GLU- 18 2.778% * 0.0072% (0.07 1.0 0.02 0.02) = 0.007% Peak 248 (8.16, 8.47, 124.23 ppm): 6 chemical-shift based assignments, quality = 0.577, support = 0.0452, residual support = 0.02: HN SER 41 - HN GLU- 18 16.667% * 36.2880% (0.37 0.09 0.02) = 36.288% kept HN SER 41 - HN GLU- 107 16.667% * 21.5061% (0.98 0.02 0.02) = 21.506% kept HN SER 77 - HN GLU- 107 16.667% * 17.5686% (0.80 0.02 0.02) = 17.569% kept HN SER 41 - HN GLU- 10 16.667% * 9.9172% (0.45 0.02 0.02) = 9.917% kept HN SER 77 - HN GLU- 10 16.667% * 8.1015% (0.37 0.02 0.02) = 8.102% kept HN SER 77 - HN GLU- 18 16.667% * 6.6185% (0.30 0.02 0.02) = 6.618% kept Not enough support, support cutoff is 0.30 Peak unassigned. 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): 13 chemical-shift based assignments, quality = 0.43, support = 0.978, residual support = 1.43: HB2 GLU- 45 - HN ALA 11 7.692% * 30.8542% (0.63 0.72 0.87) = 30.854% kept * HB3 GLU- 10 - HN ALA 11 7.692% * 26.8893% (0.20 2.03 3.82) = 26.889% kept HG3 PRO 86 - HN ALA 11 7.692% * 17.7697% (0.60 0.44 0.02) = 17.770% kept HB3 GLU- 45 - HN ALA 11 7.692% * 14.9274% (0.29 0.77 0.87) = 14.927% kept HB3 GLU- 75 - HN ALA 11 7.692% * 7.1696% (0.45 0.24 0.02) = 7.170% kept HB3 PRO 31 - HN ALA 11 7.692% * 0.8199% (0.16 0.08 0.02) = 0.820% HB3 GLU- 54 - HN ALA 11 7.692% * 0.3535% (0.26 0.02 0.02) = 0.354% HB VAL 62 - HN ALA 11 7.692% * 0.3227% (0.24 0.02 0.02) = 0.323% HG3 GLU- 64 - HN ALA 11 7.692% * 0.2792% (0.21 0.02 0.02) = 0.279% HB ILE 101 - HN ALA 11 7.692% * 0.2391% (0.18 0.02 0.02) = 0.239% HB3 PRO 35 - HN ALA 11 7.692% * 0.1346% (0.10 0.02 0.02) = 0.135% HA1 GLY 58 - HN ALA 11 7.692% * 0.1243% (0.09 0.02 0.02) = 0.124% HB3 GLU- 107 - HN ALA 11 7.692% * 0.1164% (0.09 0.02 0.02) = 0.116% Peak 251 (4.21, 8.22, 124.30 ppm): 10 chemical-shift based assignments, quality = 0.177, support = 1.57, residual support = 3.33: O HA GLU- 10 - HN ALA 11 10.000% * 77.9670% (0.10 10.0 1.86 3.82) = 77.967% kept HA GLU- 12 - HN ALA 11 10.000% * 15.7002% (0.53 1.0 0.69 2.26) = 15.700% kept HA ASP- 82 - HN ALA 11 10.000% * 2.3951% (0.63 1.0 0.09 0.02) = 2.395% kept HA VAL 73 - HN ALA 11 10.000% * 2.1496% (0.09 1.0 0.59 0.02) = 2.150% kept HA GLU- 18 - HN ALA 11 10.000% * 0.9236% (0.24 1.0 0.09 0.02) = 0.924% HB3 SER 49 - HN ALA 11 10.000% * 0.3609% (0.42 1.0 0.02 0.02) = 0.361% HA SER 49 - HN ALA 11 10.000% * 0.1852% (0.22 1.0 0.02 0.02) = 0.185% HA ALA 42 - HN ALA 11 10.000% * 0.1509% (0.18 1.0 0.02 0.02) = 0.151% HA LYS+ 108 - HN ALA 11 10.000% * 0.0838% (0.10 1.0 0.02 0.02) = 0.084% HA GLU- 54 - HN ALA 11 10.000% * 0.0838% (0.10 1.0 0.02 0.02) = 0.084% Reference assignment not found: HA ALA 11 - HN ALA 11 Not enough quality. Peak unassigned. Peak 252 (1.35, 8.22, 124.30 ppm): 7 chemical-shift based assignments, quality = 0.384, support = 1.43, residual support = 4.16: * O QB ALA 11 - HN ALA 11 14.286% * 97.4142% (0.39 10.0 1.47 4.27) = 97.414% kept HG3 ARG+ 22 - HN ALA 11 14.286% * 1.2441% (0.59 1.0 0.12 0.02) = 1.244% kept HB3 LEU 17 - HN ALA 11 14.286% * 0.8931% (0.53 1.0 0.10 0.02) = 0.893% HG3 LYS+ 81 - HN ALA 11 14.286% * 0.2016% (0.59 1.0 0.02 0.02) = 0.202% HB3 LYS+ 20 - HN ALA 11 14.286% * 0.1413% (0.41 1.0 0.02 0.02) = 0.141% HG2 LYS+ 78 - HN ALA 11 14.286% * 0.0674% (0.20 1.0 0.02 0.02) = 0.067% QG2 THR 39 - HN ALA 11 14.286% * 0.0383% (0.11 1.0 0.02 0.02) = 0.038% 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: 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): 2 chemical-shift based assignments, quality = 0.983, support = 4.26, residual support = 27.2: * T HN GLU- 54 - HN ARG+ 53 50.000% * 96.6736% (0.98 10.00 4.38 28.15) = 96.674% kept HN LYS+ 66 - HN ARG+ 53 50.000% * 3.3264% (0.94 1.00 0.72 0.02) = 3.326% kept Peak 269 (8.43, 8.43, 123.73 ppm): 1 diagonal assignment: * HN ARG+ 53 - HN ARG+ 53 (0.96) kept Peak 270 (1.77, 8.43, 123.73 ppm): 8 chemical-shift based assignments, quality = 0.817, support = 3.58, residual support = 22.9: HG3 ARG+ 53 - HN ARG+ 53 12.500% * 72.3814% (0.83 4.67 31.56) = 72.381% kept HG3 LYS+ 63 - HN ARG+ 53 12.500% * 12.2946% (0.68 0.96 0.12) = 12.295% kept HB3 GLU- 18 - HN ARG+ 53 12.500% * 11.9498% (0.98 0.65 0.02) = 11.950% kept HG2 PRO 31 - HN ARG+ 53 12.500% * 1.6650% (0.64 0.14 0.02) = 1.665% kept HB3 LYS+ 63 - HN ARG+ 53 12.500% * 1.3662% (0.28 0.26 0.12) = 1.366% kept HB2 LEU 17 - HN ARG+ 53 12.500% * 0.1664% (0.45 0.02 0.02) = 0.166% HB3 LYS+ 108 - HN ARG+ 53 12.500% * 0.1032% (0.28 0.02 0.02) = 0.103% HB3 LEU 23 - HN ARG+ 53 12.500% * 0.0734% (0.20 0.02 0.19) = 0.073% Reference assignment not found: HB3 ARG+ 53 - HN ARG+ 53 Peak 271 (2.23, 8.43, 123.73 ppm): 15 chemical-shift based assignments, quality = 0.979, support = 2.75, residual support = 6.82: * O HB3 PRO 52 - HN ARG+ 53 6.667% * 94.7222% (0.99 10.0 2.87 7.20) = 94.722% kept HG2 GLU- 64 - HN ARG+ 53 6.667% * 2.8869% (0.83 1.0 0.73 0.02) = 2.887% kept HB2 GLU- 50 - HN ARG+ 53 6.667% * 1.6849% (0.83 1.0 0.43 0.02) = 1.685% kept HG3 GLN 102 - HN ARG+ 53 6.667% * 0.0914% (0.96 1.0 0.02 0.02) = 0.091% HG3 GLU- 18 - HN ARG+ 53 6.667% * 0.0849% (0.89 1.0 0.02 0.02) = 0.085% HB3 PRO 35 - HN ARG+ 53 6.667% * 0.0798% (0.84 1.0 0.02 0.02) = 0.080% HG3 GLU- 56 - HN ARG+ 53 6.667% * 0.0724% (0.76 1.0 0.02 0.02) = 0.072% HG3 MET 97 - HN ARG+ 53 6.667% * 0.0688% (0.72 1.0 0.02 0.02) = 0.069% HG3 GLU- 10 - HN ARG+ 53 6.667% * 0.0651% (0.68 1.0 0.02 0.02) = 0.065% HG2 GLU- 56 - HN ARG+ 53 6.667% * 0.0613% (0.64 1.0 0.02 0.02) = 0.061% HB3 ASN 15 - HN ARG+ 53 6.667% * 0.0498% (0.52 1.0 0.02 0.02) = 0.050% HG3 GLU- 64 - HN ARG+ 53 6.667% * 0.0482% (0.51 1.0 0.02 0.02) = 0.048% HA1 GLY 58 - HN ARG+ 53 6.667% * 0.0373% (0.39 1.0 0.02 0.02) = 0.037% HG3 GLN 16 - HN ARG+ 53 6.667% * 0.0323% (0.34 1.0 0.02 0.02) = 0.032% HG3 GLU- 107 - HN ARG+ 53 6.667% * 0.0146% (0.15 1.0 0.02 0.02) = 0.015% Peak 272 (1.70, 8.34, 123.66 ppm): 3 chemical-shift based assignments, quality = 0.235, support = 0.02, residual support = 0.02: HB2 GLN 16 - HN ASN 76 33.333% * 40.8364% (0.28 0.02 0.02) = 40.836% kept HG13 ILE 19 - HN ASN 76 33.333% * 33.2118% (0.23 0.02 0.02) = 33.212% kept HD3 LYS+ 55 - HN ASN 76 33.333% * 25.9518% (0.18 0.02 0.02) = 25.952% kept Not enough support, support cutoff is 0.30 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): 8 chemical-shift based assignments, quality = 0.953, support = 2.71, residual support = 7.37: * O HA LYS+ 66 - HN LEU 67 12.500% * 97.7847% (0.97 10.0 2.76 7.53) = 97.785% kept HA THR 95 - HN LEU 67 12.500% * 1.8495% (0.49 1.0 0.75 0.16) = 1.849% kept HA HIS+ 14 - HN LEU 67 12.500% * 0.1004% (0.99 1.0 0.02 0.02) = 0.100% HA PRO 86 - HN LEU 67 12.500% * 0.0935% (0.92 1.0 0.02 0.02) = 0.094% HA PRO 104 - HN LEU 67 12.500% * 0.0615% (0.61 1.0 0.02 0.02) = 0.061% HB THR 24 - HN LEU 67 12.500% * 0.0493% (0.49 1.0 0.02 0.02) = 0.049% HA ASN 57 - HN LEU 67 12.500% * 0.0454% (0.45 1.0 0.02 0.02) = 0.045% HA SER 88 - HN LEU 67 12.500% * 0.0156% (0.15 1.0 0.02 0.02) = 0.016% Peak 275 (1.17, 8.24, 123.72 ppm): 5 chemical-shift based assignments, quality = 0.903, support = 0.262, residual support = 10.3: HB2 LEU 74 - HN LEU 67 20.000% * 59.8601% (0.97 0.34 14.85) = 59.860% kept HB2 LEU 43 - HN LEU 67 20.000% * 29.6864% (0.90 0.18 4.82) = 29.686% kept QB ALA 33 - HN LEU 67 20.000% * 4.3737% (0.18 0.14 0.02) = 4.374% kept QG2 THR 106 - HN LEU 67 20.000% * 3.5518% (0.97 0.02 0.02) = 3.552% kept HG3 PRO 59 - HN LEU 67 20.000% * 2.5281% (0.69 0.02 0.02) = 2.528% kept Reference assignment not found: HB3 LYS+ 66 - HN LEU 67 Peak 276 (1.46, 8.24, 123.72 ppm): 7 chemical-shift based assignments, quality = 0.961, support = 4.13, residual support = 71.7: * O HB3 LEU 67 - HN LEU 67 14.286% * 91.4645% (0.98 10.0 4.41 78.38) = 91.464% kept HG13 ILE 48 - HN LEU 67 14.286% * 5.9602% (0.95 1.0 1.35 0.79) = 5.960% kept HB3 LYS+ 44 - HN LEU 67 14.286% * 1.5894% (0.53 1.0 0.65 0.54) = 1.589% kept HG3 LYS+ 60 - HN LEU 67 14.286% * 0.8450% (0.80 1.0 0.23 0.02) = 0.845% HG2 PRO 59 - HN LEU 67 14.286% * 0.0747% (0.80 1.0 0.02 0.02) = 0.075% QB ALA 70 - HN LEU 67 14.286% * 0.0454% (0.49 1.0 0.02 0.02) = 0.045% HG LEU 90 - HN LEU 67 14.286% * 0.0208% (0.22 1.0 0.02 0.02) = 0.021% Peak 277 (0.76, 8.24, 123.72 ppm): 5 chemical-shift based assignments, quality = 0.515, support = 2.11, residual support = 11.0: * HG3 LYS+ 66 - HN LEU 67 20.000% * 43.5069% (0.53 2.49 7.53) = 43.507% kept QD1 ILE 68 - HN LEU 67 20.000% * 23.7011% (0.22 3.20 31.78) = 23.701% kept HG3 LYS+ 44 - HN LEU 67 20.000% * 18.3208% (0.98 0.56 0.54) = 18.321% kept QG2 ILE 48 - HN LEU 67 20.000% * 14.3396% (0.37 1.16 0.79) = 14.340% kept QG1 VAL 40 - HN LEU 67 20.000% * 0.1315% (0.20 0.02 0.02) = 0.132% Peak 278 (0.90, 8.24, 123.72 ppm): 9 chemical-shift based assignments, quality = 0.873, support = 4.89, residual support = 62.6: * QD1 LEU 67 - HN LEU 67 11.111% * 73.1473% (1.00 5.76 78.38) = 73.147% kept HG12 ILE 68 - HN LEU 67 11.111% * 16.3453% (0.34 3.76 31.78) = 16.345% kept QG1 VAL 47 - HN LEU 67 11.111% * 8.9496% (0.98 0.72 0.61) = 8.950% kept QG2 VAL 40 - HN LEU 67 11.111% * 0.9341% (0.95 0.08 0.02) = 0.934% QG2 VAL 87 - HN LEU 67 11.111% * 0.2410% (0.95 0.02 0.02) = 0.241% QG1 VAL 80 - HN LEU 67 11.111% * 0.1648% (0.65 0.02 0.02) = 0.165% QG2 VAL 80 - HN LEU 67 11.111% * 0.1340% (0.53 0.02 0.02) = 0.134% HB2 ARG+ 84 - HN LEU 67 11.111% * 0.0446% (0.18 0.02 0.02) = 0.045% QG2 VAL 105 - HN LEU 67 11.111% * 0.0393% (0.15 0.02 0.02) = 0.039% Peak 279 (1.07, 8.24, 123.72 ppm): 1 chemical-shift based assignment, quality = 0.764, support = 0.164, residual support = 0.164: QG2 THR 95 - HN LEU 67 100.000% *100.0000% (0.76 0.16 0.16) = 100.000% kept Reference assignment not found: HG LEU 74 - HN LEU 67 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 280 (5.55, 8.24, 123.72 ppm): 1 chemical-shift based assignment, quality = 0.341, support = 5.15, residual support = 78.4: * O HA LEU 67 - HN LEU 67 100.000% *100.0000% (0.34 10.0 5.15 78.38) = 100.000% kept Peak 281 (2.03, 8.24, 123.72 ppm): 12 chemical-shift based assignments, quality = 0.641, support = 0.701, residual support = 0.816: HB3 GLU- 75 - HN LEU 67 8.333% * 44.3425% (0.49 1.18 1.73) = 44.342% kept HB3 GLU- 45 - HN LEU 67 8.333% * 28.5819% (0.99 0.37 0.12) = 28.582% kept HB2 GLU- 45 - HN LEU 67 8.333% * 11.9769% (0.31 0.50 0.12) = 11.977% kept HB3 GLU- 107 - HN LEU 67 8.333% * 7.2400% (0.84 0.11 0.02) = 7.240% kept HB3 GLU- 54 - HN LEU 67 8.333% * 1.5361% (1.00 0.02 0.02) = 1.536% kept HB3 GLU- 10 - HN LEU 67 8.333% * 1.5259% (0.99 0.02 0.02) = 1.526% kept HB3 PRO 31 - HN LEU 67 8.333% * 1.4857% (0.97 0.02 0.02) = 1.486% kept HG3 PRO 86 - HN LEU 67 8.333% * 0.8716% (0.57 0.02 0.02) = 0.872% HB2 GLU- 18 - HN LEU 67 8.333% * 0.8716% (0.57 0.02 0.02) = 0.872% HB2 HIS+ 14 - HN LEU 67 8.333% * 0.6902% (0.45 0.02 0.02) = 0.690% HG2 PRO 86 - HN LEU 67 8.333% * 0.5778% (0.38 0.02 0.02) = 0.578% HG3 GLU- 64 - HN LEU 67 8.333% * 0.2999% (0.19 0.02 0.02) = 0.300% 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): 11 chemical-shift based assignments, quality = 0.426, support = 1.24, residual support = 3.53: O QB ALA 93 - HN ALA 93 9.091% * 49.2013% (0.13 10.0 1.80 7.10) = 49.201% kept HB3 LEU 17 - HN ALA 93 9.091% * 13.2043% (0.64 1.0 1.01 0.22) = 13.204% kept QB ALA 11 - HN ALA 93 9.091% * 12.5337% (0.86 1.0 0.72 0.02) = 12.534% kept HG3 LYS+ 81 - HN ALA 93 9.091% * 8.9771% (0.52 1.0 0.85 0.02) = 8.977% kept HG3 ARG+ 22 - HN ALA 93 9.091% * 5.4383% (0.52 1.0 0.51 0.02) = 5.438% kept HB3 LYS+ 20 - HN ALA 93 9.091% * 5.3625% (0.83 1.0 0.32 0.02) = 5.363% kept HG2 LYS+ 78 - HN ALA 93 9.091% * 2.6929% (1.00 1.0 0.13 0.02) = 2.693% kept QG2 THR 39 - HN ALA 93 9.091% * 2.0610% (0.94 1.0 0.11 0.02) = 2.061% kept HG13 ILE 68 - HN ALA 93 9.091% * 0.3229% (0.80 1.0 0.02 0.02) = 0.323% HD3 LYS+ 20 - HN ALA 93 9.091% * 0.1514% (0.37 1.0 0.02 0.02) = 0.151% HG13 ILE 100 - HN ALA 93 9.091% * 0.0546% (0.13 1.0 0.02 0.02) = 0.055% Reference assignment not found: QB ALA 91 - HN ALA 93 Peak 291 (4.30, 7.80, 123.35 ppm): 5 chemical-shift based assignments, quality = 0.794, support = 2.19, residual support = 7.07: O HA ALA 93 - HN ALA 93 20.000% * 99.6604% (0.80 10.0 2.20 7.10) = 99.660% kept HA ILE 29 - HN ALA 93 20.000% * 0.1177% (0.94 1.0 0.02 0.02) = 0.118% HA ASP- 36 - HN ALA 93 20.000% * 0.1080% (0.86 1.0 0.02 0.02) = 0.108% HA THR 106 - HN ALA 93 20.000% * 0.0755% (0.60 1.0 0.02 0.02) = 0.075% * HA LEU 90 - HN ALA 93 20.000% * 0.0384% (0.31 1.0 0.02 0.02) = 0.038% Reference assignment eliminated. Peak 292 (8.46, 7.80, 123.35 ppm): 5 chemical-shift based assignments, quality = 0.916, support = 2.62, residual support = 12.7: * T HN GLY 92 - HN ALA 93 20.000% * 99.7361% (0.92 10.00 2.63 12.69) = 99.736% kept HN GLU- 107 - HN ALA 93 20.000% * 0.1080% (1.00 1.00 0.02 0.02) = 0.108% HN LEU 74 - HN ALA 93 20.000% * 0.0699% (0.64 1.00 0.02 0.02) = 0.070% HN GLU- 18 - HN ALA 93 20.000% * 0.0526% (0.48 1.00 0.02 0.02) = 0.053% HN GLU- 10 - HN ALA 93 20.000% * 0.0333% (0.31 1.00 0.02 0.02) = 0.033% Peak 293 (3.96, 7.80, 123.35 ppm): 2 chemical-shift based assignments, quality = 0.221, support = 2.48, residual support = 12.7: O HA1 GLY 92 - HN ALA 93 50.000% * 99.7642% (0.22 10.0 2.49 12.69) = 99.764% kept HA LEU 74 - HN ALA 93 50.000% * 0.2358% (0.52 1.0 0.02 0.02) = 0.236% Reference assignment not found: HA ALA 93 - HN ALA 93 Peak 294 (3.81, 7.80, 123.35 ppm): 3 chemical-shift based assignments, quality = 0.601, support = 1.59, residual support = 12.6: * O HA2 GLY 92 - HN ALA 93 33.333% * 99.6186% (0.60 10.0 1.60 12.69) = 99.619% kept HB3 SER 41 - HN ALA 93 33.333% * 0.2034% (0.99 1.0 0.02 0.02) = 0.203% HD3 PRO 86 - HN ALA 93 33.333% * 0.1780% (0.86 1.0 0.02 0.02) = 0.178% Peak 295 (8.23, 7.80, 123.35 ppm): 10 chemical-shift based assignments, quality = 0.708, support = 1.25, residual support = 1.72: T HN GLU- 45 - HN ALA 93 10.000% * 54.4226% (0.60 10.00 0.65 0.59) = 54.423% kept * HN VAL 94 - HN ALA 93 10.000% * 31.4337% (0.86 1.00 2.63 4.26) = 31.434% kept HN SER 49 - HN ALA 93 10.000% * 8.7650% (0.92 1.00 0.69 0.58) = 8.765% kept HN GLU- 12 - HN ALA 93 10.000% * 2.2885% (0.56 1.00 0.29 0.13) = 2.288% kept HN ALA 11 - HN ALA 93 10.000% * 2.2137% (0.68 1.00 0.23 0.02) = 2.214% kept HN VAL 105 - HN ALA 93 10.000% * 0.2299% (0.83 1.00 0.02 0.02) = 0.230% HN GLY 58 - HN ALA 93 10.000% * 0.2204% (0.80 1.00 0.02 0.02) = 0.220% HN LEU 67 - HN ALA 93 10.000% * 0.1891% (0.68 1.00 0.02 0.02) = 0.189% HN LYS+ 81 - HN ALA 93 10.000% * 0.1891% (0.68 1.00 0.02 0.02) = 0.189% HN THR 106 - HN ALA 93 10.000% * 0.0482% (0.17 1.00 0.02 0.02) = 0.048% Peak 296 (4.20, 7.80, 123.35 ppm): 4 chemical-shift based assignments, quality = 0.697, support = 0.894, residual support = 0.383: HB3 SER 49 - HN ALA 93 25.000% * 55.3450% (0.77 1.11 0.58) = 55.345% kept HA ASP- 82 - HN ALA 93 25.000% * 26.1673% (0.80 0.51 0.16) = 26.167% kept HA GLU- 12 - HN ALA 93 25.000% * 17.8136% (0.34 0.82 0.13) = 17.814% kept HA VAL 73 - HN ALA 93 25.000% * 0.6741% (0.52 0.02 0.02) = 0.674% 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): 3 chemical-shift based assignments, quality = 0.903, support = 3.45, residual support = 9.57: * T HN SER 77 - HN LYS+ 78 33.333% * 99.7641% (0.90 10.00 3.46 9.60) = 99.764% kept T HN GLY 26 - HN LYS+ 78 33.333% * 0.1782% (0.16 10.00 0.02 0.02) = 0.178% HN SER 41 - HN LYS+ 78 33.333% * 0.0576% (0.52 1.00 0.02 0.02) = 0.058% Peak 299 (2.38, 7.59, 122.90 ppm): 6 chemical-shift based assignments, quality = 0.896, support = 5.08, residual support = 23.1: * O HB2 LYS+ 78 - HN LYS+ 78 16.667% * 95.3295% (0.92 10.0 5.31 24.26) = 95.329% kept HA1 GLY 58 - HN LYS+ 78 16.667% * 2.5010% (0.65 1.0 0.75 0.02) = 2.501% kept HB3 PRO 35 - HN LYS+ 78 16.667% * 0.8468% (0.78 1.0 0.21 0.02) = 0.847% HB3 ASP- 28 - HN LYS+ 78 16.667% * 0.8325% (0.85 1.0 0.19 0.12) = 0.833% HB3 GLU- 50 - HN LYS+ 78 16.667% * 0.4637% (0.80 1.0 0.11 0.02) = 0.464% HG3 GLU- 50 - HN LYS+ 78 16.667% * 0.0265% (0.26 1.0 0.02 0.02) = 0.027% Peak 300 (4.53, 7.59, 122.90 ppm): 5 chemical-shift based assignments, quality = 0.266, support = 1.71, residual support = 18.8: HB THR 79 - HN LYS+ 78 20.000% * 91.2804% (0.23 1.88 20.61) = 91.280% kept HA ALA 103 - HN LYS+ 78 20.000% * 3.3864% (0.80 0.02 0.02) = 3.386% kept HB THR 46 - HN LYS+ 78 20.000% * 3.1260% (0.74 0.02 0.02) = 3.126% kept HA LEU 17 - HN LYS+ 78 20.000% * 1.6049% (0.38 0.02 0.02) = 1.605% kept HA LYS+ 55 - HN LYS+ 78 20.000% * 0.6024% (0.14 0.02 0.02) = 0.602% Reference assignment not found: HA LYS+ 78 - HN LYS+ 78 Peak 301 (1.62, 7.59, 122.90 ppm): 7 chemical-shift based assignments, quality = 0.875, support = 3.12, residual support = 22.7: * HG3 LYS+ 78 - HN LYS+ 78 14.286% * 93.7606% (0.91 3.31 24.26) = 93.761% kept HD3 LYS+ 32 - HN LYS+ 78 14.286% * 4.0456% (0.41 0.32 0.02) = 4.046% kept HB ILE 68 - HN LYS+ 78 14.286% * 0.5409% (0.87 0.02 0.02) = 0.541% HG LEU 43 - HN LYS+ 78 14.286% * 0.5409% (0.87 0.02 0.02) = 0.541% HG12 ILE 101 - HN LYS+ 78 14.286% * 0.5278% (0.85 0.02 0.02) = 0.528% HG LEU 23 - HN LYS+ 78 14.286% * 0.4960% (0.80 0.02 0.02) = 0.496% HB3 ARG+ 22 - HN LYS+ 78 14.286% * 0.0882% (0.14 0.02 0.02) = 0.088% Peak 302 (2.15, 7.59, 122.90 ppm): 15 chemical-shift based assignments, quality = 0.838, support = 3.79, residual support = 22.8: * O HB3 LYS+ 78 - HN LYS+ 78 6.667% * 93.8454% (0.85 10.0 4.01 24.26) = 93.845% kept HG3 GLU- 64 - HN LYS+ 78 6.667% * 2.2203% (0.92 1.0 0.44 0.02) = 2.220% kept HG2 GLU- 64 - HN LYS+ 78 6.667% * 1.8993% (0.80 1.0 0.43 0.02) = 1.899% kept HA1 GLY 58 - HN LYS+ 78 6.667% * 1.0420% (0.25 1.0 0.75 0.02) = 1.042% kept HB3 PRO 35 - HN LYS+ 78 6.667% * 0.5590% (0.49 1.0 0.21 0.02) = 0.559% HB VAL 47 - HN LYS+ 78 6.667% * 0.1008% (0.91 1.0 0.02 0.02) = 0.101% HG2 PRO 104 - HN LYS+ 78 6.667% * 0.0814% (0.74 1.0 0.02 0.02) = 0.081% HB3 GLU- 75 - HN LYS+ 78 6.667% * 0.0601% (0.55 1.0 0.02 0.02) = 0.060% HB2 ASP- 28 - HN LYS+ 78 6.667% * 0.0495% (0.45 1.0 0.02 0.12) = 0.049% HG2 GLN 102 - HN LYS+ 78 6.667% * 0.0347% (0.31 1.0 0.02 0.02) = 0.035% HB2 ASP- 82 - HN LYS+ 78 6.667% * 0.0314% (0.28 1.0 0.02 1.18) = 0.031% HG2 GLU- 45 - HN LYS+ 78 6.667% * 0.0226% (0.21 1.0 0.02 0.02) = 0.023% HG2 GLN 16 - HN LYS+ 78 6.667% * 0.0201% (0.18 1.0 0.02 0.02) = 0.020% HB3 PRO 104 - HN LYS+ 78 6.667% * 0.0178% (0.16 1.0 0.02 0.02) = 0.018% HB VAL 99 - HN LYS+ 78 6.667% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% Peak 303 (1.37, 7.59, 122.90 ppm): 9 chemical-shift based assignments, quality = 0.851, support = 2.66, residual support = 16.6: * HG2 LYS+ 78 - HN LYS+ 78 11.111% * 68.0822% (0.90 3.54 24.26) = 68.082% kept QG2 THR 39 - HN LYS+ 78 11.111% * 19.5784% (0.80 1.15 0.16) = 19.578% kept HB3 LEU 17 - HN LYS+ 78 11.111% * 4.9417% (0.71 0.33 0.02) = 4.942% kept HG13 ILE 68 - HN LYS+ 78 11.111% * 3.6140% (0.63 0.27 0.02) = 3.614% kept HB3 LYS+ 20 - HN LYS+ 78 11.111% * 1.6117% (0.85 0.09 0.02) = 1.612% kept HG3 LYS+ 81 - HN LYS+ 78 11.111% * 1.0775% (0.60 0.08 0.11) = 1.077% kept HD3 LYS+ 20 - HN LYS+ 78 11.111% * 0.4697% (0.26 0.09 0.02) = 0.470% QB ALA 11 - HN LYS+ 78 11.111% * 0.3710% (0.87 0.02 0.02) = 0.371% HG3 ARG+ 22 - HN LYS+ 78 11.111% * 0.2537% (0.60 0.02 0.02) = 0.254% Peak 304 (6.73, 7.59, 122.90 ppm): 2 chemical-shift based assignments, quality = 0.822, support = 0.704, residual support = 1.88: * QE TYR 83 - HN LYS+ 78 50.000% * 98.3853% (0.83 0.71 1.91) = 98.385% kept HZ3 TRP 51 - HN LYS+ 78 50.000% * 1.6147% (0.49 0.02 0.02) = 1.615% 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 = 0.55, support = 2.21, residual support = 7.35: O HA LYS+ 20 - HN PHE 21 14.286% * 79.4584% (0.45 10.0 2.49 8.87) = 79.458% kept HA VAL 99 - HN PHE 21 14.286% * 13.7947% (1.00 1.0 1.56 2.20) = 13.795% kept * HA2 GLY 30 - HN PHE 21 14.286% * 3.3296% (0.76 1.0 0.49 0.02) = 3.330% kept HA THR 61 - HN PHE 21 14.286% * 2.0341% (0.94 1.0 0.24 0.02) = 2.034% kept HA GLN 16 - HN PHE 21 14.286% * 1.1910% (0.98 1.0 0.14 0.02) = 1.191% kept HA THR 39 - HN PHE 21 14.286% * 0.1480% (0.83 1.0 0.02 0.02) = 0.148% HA ASN 89 - HN PHE 21 14.286% * 0.0442% (0.25 1.0 0.02 0.43) = 0.044% Peak 313 (1.35, 8.94, 123.00 ppm): 7 chemical-shift based assignments, quality = 0.509, support = 2.54, residual support = 7.34: * HB3 LYS+ 20 - HN PHE 21 14.286% * 53.1872% (0.41 3.61 8.87) = 53.187% kept HG3 ARG+ 22 - HN PHE 21 14.286% * 37.1138% (0.73 1.43 5.80) = 37.114% kept QG2 THR 46 - HN PHE 21 14.286% * 7.1297% (0.15 1.29 6.55) = 7.130% kept HB3 LEU 17 - HN PHE 21 14.286% * 1.6701% (0.61 0.08 0.02) = 1.670% kept HG3 LYS+ 81 - HN PHE 21 14.286% * 0.5200% (0.73 0.02 0.02) = 0.520% QB ALA 11 - HN PHE 21 14.286% * 0.2688% (0.37 0.02 0.02) = 0.269% HG2 LYS+ 78 - HN PHE 21 14.286% * 0.1105% (0.15 0.02 0.02) = 0.110% Peak 314 (9.29, 8.94, 123.00 ppm): 2 chemical-shift based assignments, quality = 0.784, support = 2.32, residual support = 20.1: * T HN ILE 29 - HN PHE 21 50.000% * 91.3374% (0.76 10.00 2.40 21.88) = 91.337% kept HN LEU 23 - HN PHE 21 50.000% * 8.6626% (1.00 1.00 1.45 0.94) = 8.663% kept Peak 315 (2.74, 8.94, 123.00 ppm): 3 chemical-shift based assignments, quality = 0.779, support = 2.96, residual support = 26.6: * O HB3 PHE 21 - HN PHE 21 33.333% * 73.7508% (0.73 10.0 2.81 33.51) = 73.751% kept HE3 LYS+ 20 - HN PHE 21 33.333% * 19.1764% (0.92 1.0 4.09 8.87) = 19.176% kept HA1 GLY 58 - HN PHE 21 33.333% * 7.0728% (0.95 1.0 1.47 2.52) = 7.073% kept Peak 316 (6.89, 8.94, 123.00 ppm): 2 chemical-shift based assignments, quality = 0.975, support = 4.29, residual support = 33.4: * QD PHE 21 - HN PHE 21 50.000% * 99.5904% (0.98 4.30 33.51) = 99.590% kept HD22 ASN 15 - HN PHE 21 50.000% * 0.4096% (0.87 0.02 0.02) = 0.410% Peak 317 (0.98, 8.94, 123.00 ppm): 2 chemical-shift based assignments, quality = 0.269, support = 0.944, residual support = 2.2: QG1 VAL 99 - HN PHE 21 50.000% * 71.2311% (0.28 1.12 2.20) = 71.231% kept QG2 VAL 99 - HN PHE 21 50.000% * 28.7689% (0.25 0.51 2.20) = 28.769% kept Peak 318 (5.26, 8.94, 123.00 ppm): 1 chemical-shift based assignment, quality = 0.866, support = 2.57, residual support = 33.5: * O HA PHE 21 - HN PHE 21 100.000% *100.0000% (0.87 10.0 2.57 33.51) = 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): 4 chemical-shift based assignments, quality = 0.879, support = 0.0995, residual support = 0.02: HB ILE 48 - HN LYS+ 108 25.000% * 45.4726% (0.80 0.12 0.02) = 45.473% kept HB2 LEU 17 - HN LYS+ 108 25.000% * 43.2131% (0.99 0.09 0.02) = 43.213% kept HB3 LEU 23 - HN LYS+ 108 25.000% * 8.4793% (0.92 0.02 0.02) = 8.479% kept HB3 GLU- 18 - HN LYS+ 108 25.000% * 2.8351% (0.31 0.02 0.02) = 2.835% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 323 (4.25, 8.36, 122.79 ppm): 21 chemical-shift based assignments, quality = 0.862, support = 2.26, residual support = 10.6: * O HA LYS+ 108 - HN LYS+ 108 4.762% * 49.7558% (0.87 10.0 2.54 12.87) = 49.756% kept O HA GLU- 107 - HN LYS+ 108 4.762% * 49.6647% (0.87 10.0 2.00 8.47) = 49.665% kept HA PRO 59 - HN LYS+ 108 4.762% * 0.0572% (1.00 1.0 0.02 0.02) = 0.057% HA ALA 11 - HN LYS+ 108 4.762% * 0.0543% (0.95 1.0 0.02 0.02) = 0.054% HA ASN 76 - HN LYS+ 108 4.762% * 0.0514% (0.90 1.0 0.02 0.02) = 0.051% HA GLU- 54 - HN LYS+ 108 4.762% * 0.0498% (0.87 1.0 0.02 0.02) = 0.050% HA GLU- 10 - HN LYS+ 108 4.762% * 0.0498% (0.87 1.0 0.02 0.02) = 0.050% HA GLU- 56 - HN LYS+ 108 4.762% * 0.0479% (0.84 1.0 0.02 0.02) = 0.048% HA ALA 42 - HN LYS+ 108 4.762% * 0.0394% (0.69 1.0 0.02 0.02) = 0.039% HA SER 49 - HN LYS+ 108 4.762% * 0.0348% (0.61 1.0 0.02 0.02) = 0.035% HA GLU- 75 - HN LYS+ 108 4.762% * 0.0325% (0.57 1.0 0.02 0.02) = 0.032% HA GLU- 18 - HN LYS+ 108 4.762% * 0.0325% (0.57 1.0 0.02 0.02) = 0.032% HA GLU- 64 - HN LYS+ 108 4.762% * 0.0302% (0.53 1.0 0.02 0.02) = 0.030% HB3 SER 49 - HN LYS+ 108 4.762% * 0.0200% (0.35 1.0 0.02 0.02) = 0.020% HA VAL 65 - HN LYS+ 108 4.762% * 0.0143% (0.25 1.0 0.02 0.02) = 0.014% HA SER 85 - HN LYS+ 108 4.762% * 0.0114% (0.20 1.0 0.02 0.02) = 0.011% HA ARG+ 84 - HN LYS+ 108 4.762% * 0.0114% (0.20 1.0 0.02 0.02) = 0.011% HA PRO 52 - HN LYS+ 108 4.762% * 0.0114% (0.20 1.0 0.02 0.02) = 0.011% HD3 PRO 59 - HN LYS+ 108 4.762% * 0.0114% (0.20 1.0 0.02 0.02) = 0.011% HA VAL 94 - HN LYS+ 108 4.762% * 0.0100% (0.18 1.0 0.02 0.02) = 0.010% HA GLU- 12 - HN LYS+ 108 4.762% * 0.0100% (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 = 0.334, support = 0.0799, residual support = 0.02: HA THR 39 - HN LYS+ 108 25.000% * 58.7183% (0.25 0.12 0.02) = 58.718% kept HA LYS+ 20 - HN LYS+ 108 25.000% * 23.4121% (0.61 0.02 0.02) = 23.412% kept HA2 GLY 30 - HN LYS+ 108 25.000% * 11.9138% (0.31 0.02 0.02) = 11.914% kept HA THR 61 - HN LYS+ 108 25.000% * 5.9558% (0.15 0.02 0.02) = 5.956% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 325 (1.42, 8.36, 122.79 ppm): 10 chemical-shift based assignments, quality = 0.804, support = 0.159, residual support = 0.02: QG2 THR 38 - HN LYS+ 108 10.000% * 47.7056% (0.95 0.24 0.02) = 47.706% kept QB ALA 37 - HN LYS+ 108 10.000% * 19.2027% (0.76 0.12 0.02) = 19.203% kept HG13 ILE 100 - HN LYS+ 108 10.000% * 9.0740% (0.53 0.08 0.02) = 9.074% kept HD3 LYS+ 20 - HN LYS+ 108 10.000% * 5.7557% (0.22 0.13 0.02) = 5.756% kept HD3 LYS+ 44 - HN LYS+ 108 10.000% * 4.1188% (1.00 0.02 0.02) = 4.119% kept QB ALA 91 - HN LYS+ 108 10.000% * 4.0372% (0.98 0.02 0.02) = 4.037% kept HG3 LYS+ 55 - HN LYS+ 108 10.000% * 3.4403% (0.84 0.02 0.02) = 3.440% kept HG LEU 67 - HN LYS+ 108 10.000% * 2.3319% (0.57 0.02 0.02) = 2.332% kept HG LEU 90 - HN LYS+ 108 10.000% * 2.1670% (0.53 0.02 0.02) = 2.167% kept QB ALA 93 - HN LYS+ 108 10.000% * 2.1670% (0.53 0.02 0.02) = 2.167% kept Reference assignment not found: HG3 LYS+ 108 - HN LYS+ 108 Not enough support, support cutoff is 0.30 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): 10 chemical-shift based assignments, quality = 0.512, support = 2.5, residual support = 11.6: * O HB2 LYS+ 108 - HN LYS+ 108 10.000% * 77.2852% (0.45 10.0 2.43 12.87) = 77.285% kept HB3 GLU- 107 - HN LYS+ 108 10.000% * 19.5933% (0.73 1.0 3.13 8.47) = 19.593% kept HB2 GLU- 18 - HN LYS+ 108 10.000% * 2.4476% (0.95 1.0 0.30 0.02) = 2.448% kept HG2 PRO 86 - HN LYS+ 108 10.000% * 0.1724% (1.00 1.0 0.02 0.02) = 0.172% HB2 HIS+ 14 - HN LYS+ 108 10.000% * 0.1709% (0.99 1.0 0.02 0.02) = 0.171% HB3 PRO 31 - HN LYS+ 108 10.000% * 0.0907% (0.53 1.0 0.02 0.02) = 0.091% HB3 GLU- 10 - HN LYS+ 108 10.000% * 0.0773% (0.45 1.0 0.02 0.02) = 0.077% HB3 GLU- 54 - HN LYS+ 108 10.000% * 0.0588% (0.34 1.0 0.02 0.02) = 0.059% HB3 GLU- 45 - HN LYS+ 108 10.000% * 0.0532% (0.31 1.0 0.02 0.02) = 0.053% HB3 GLU- 75 - HN LYS+ 108 10.000% * 0.0506% (0.29 1.0 0.02 0.02) = 0.051% 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 332 (8.10, 8.11, 122.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 333 (1.95, 8.11, 122.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 334 (0.88, 8.11, 122.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 335 (3.93, 8.11, 122.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 336 (2.36, 8.11, 122.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 337 (2.18, 8.11, 122.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 338 (4.42, 8.11, 122.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 339 (1.18, 8.11, 122.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 340 (8.18, 8.18, 122.72 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 343 (8.10, 8.11, 122.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 344 (0.89, 8.11, 122.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 345 (1.96, 8.11, 122.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 346 (3.93, 8.11, 122.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 347 (2.19, 8.11, 122.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 348 (1.19, 8.11, 122.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 349 (2.35, 8.11, 122.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 350 (0.85, 8.21, 122.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 351 (8.21, 8.21, 122.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 352 (1.80, 8.21, 122.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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 356 (3.93, 8.07, 122.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 357 (1.17, 8.07, 122.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 358 (4.42, 8.07, 122.58 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 360 (2.36, 8.07, 122.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 361 (8.08, 8.07, 122.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 362 (0.88, 8.07, 122.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 363 (2.17, 8.07, 122.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 364 (0.86, 8.17, 122.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 367 (3.93, 8.07, 122.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 368 (4.42, 8.07, 122.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 369 (1.95, 8.07, 122.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 370 (8.08, 8.07, 122.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 371 (2.36, 8.07, 122.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 372 (0.87, 8.07, 122.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 373 (1.79, 8.20, 122.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 374 (0.85, 8.20, 122.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 375 (8.20, 8.20, 122.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 = 3.87, residual support = 33.9: * O HB VAL 40 - HN VAL 40 20.000% * 99.5112% (0.52 10.0 3.89 34.09) = 99.511% kept HA1 GLY 58 - HN VAL 40 20.000% * 0.1618% (0.85 1.0 0.02 0.02) = 0.162% HG3 GLU- 45 - HN VAL 40 20.000% * 0.1580% (0.83 1.0 0.02 0.02) = 0.158% HB3 PRO 35 - HN VAL 40 20.000% * 0.0912% (0.48 1.0 0.02 0.02) = 0.091% 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): 7 chemical-shift based assignments, quality = 0.482, support = 2.47, residual support = 24.7: QG2 VAL 40 - HN VAL 40 14.286% * 72.3271% (0.44 3.32 34.09) = 72.327% kept QG2 ILE 100 - HN VAL 40 14.286% * 9.5269% (0.60 0.32 0.02) = 9.527% kept QG1 VAL 80 - HN VAL 40 14.286% * 9.2350% (0.79 0.24 0.02) = 9.235% kept QD1 LEU 67 - HN VAL 40 14.286% * 3.8667% (0.31 0.26 0.02) = 3.867% kept QG2 VAL 87 - HN VAL 40 14.286% * 3.0842% (0.44 0.14 0.02) = 3.084% kept QG1 VAL 47 - HN VAL 40 14.286% * 1.4096% (0.37 0.08 0.02) = 1.410% kept QD1 LEU 90 - HN VAL 40 14.286% * 0.5506% (0.56 0.02 0.02) = 0.551% Reference assignment not found: QG1 VAL 40 - HN VAL 40 Peak 382 (4.73, 8.71, 122.58 ppm): 6 chemical-shift based assignments, quality = 0.555, support = 0.991, residual support = 1.08: O HA THR 39 - HN VAL 40 16.667% * 99.1474% (0.56 10.0 1.00 1.08) = 99.147% kept HA LYS+ 20 - HN VAL 40 16.667% * 0.3233% (0.91 1.0 0.02 0.02) = 0.323% HA2 GLY 30 - HN VAL 40 16.667% * 0.2266% (0.64 1.0 0.02 0.02) = 0.227% HA THR 61 - HN VAL 40 16.667% * 0.1440% (0.41 1.0 0.02 0.02) = 0.144% HA VAL 99 - HN VAL 40 16.667% * 0.0974% (0.27 1.0 0.02 0.02) = 0.097% HA GLN 16 - HN VAL 40 16.667% * 0.0613% (0.17 1.0 0.02 0.02) = 0.061% Reference assignment not found: HA VAL 40 - HN VAL 40 Peak 383 (3.43, 8.71, 122.58 ppm): 4 chemical-shift based assignments, quality = 0.239, support = 3.31, residual support = 31.2: O HA VAL 40 - HN VAL 40 25.000% * 91.6301% (0.20 10.0 3.58 34.09) = 91.630% kept HA ILE 48 - HN VAL 40 25.000% * 6.1270% (0.91 1.0 0.29 0.19) = 6.127% kept HA VAL 80 - HN VAL 40 25.000% * 1.9621% (0.17 1.0 0.48 0.02) = 1.962% kept HA VAL 62 - HN VAL 40 25.000% * 0.2808% (0.60 1.0 0.02 0.02) = 0.281% Reference assignment not found: HA THR 39 - HN VAL 40 Peak 384 (8.16, 8.71, 122.58 ppm): 3 chemical-shift based assignments, quality = 0.987, support = 3.45, residual support = 16.1: * T HN SER 41 - HN VAL 40 33.333% * 99.8559% (0.99 10.00 3.45 16.16) = 99.856% kept HN ALA 33 - HN VAL 40 33.333% * 0.0755% (0.15 1.00 0.10 0.02) = 0.076% HN SER 77 - HN VAL 40 33.333% * 0.0686% (0.68 1.00 0.02 0.02) = 0.069% Peak 385 (0.71, 8.71, 122.58 ppm): 11 chemical-shift based assignments, quality = 0.668, support = 2.8, residual support = 19.6: QG1 VAL 40 - HN VAL 40 9.091% * 56.9229% (0.52 4.11 34.09) = 56.923% kept QG2 ILE 101 - HN VAL 40 9.091% * 32.0587% (0.90 1.34 0.69) = 32.059% kept QG2 ILE 48 - HN VAL 40 9.091% * 7.5502% (0.85 0.34 0.19) = 7.550% kept QG2 THR 96 - HN VAL 40 9.091% * 2.1369% (0.89 0.09 0.02) = 2.137% kept HG LEU 74 - HN VAL 40 9.091% * 0.4859% (0.91 0.02 0.02) = 0.486% QD1 ILE 68 - HN VAL 40 9.091% * 0.2562% (0.48 0.02 0.02) = 0.256% QD1 ILE 19 - HN VAL 40 9.091% * 0.1464% (0.27 0.02 0.02) = 0.146% QG2 VAL 94 - HN VAL 40 9.091% * 0.1172% (0.22 0.02 0.02) = 0.117% QG2 ILE 68 - HN VAL 40 9.091% * 0.1172% (0.22 0.02 0.02) = 0.117% HG12 ILE 19 - HN VAL 40 9.091% * 0.1042% (0.20 0.02 0.02) = 0.104% HG3 LYS+ 66 - HN VAL 40 9.091% * 0.1042% (0.20 0.02 0.02) = 0.104% Reference assignment not found: QG2 VAL 40 - HN VAL 40 Peak 386 (4.95, 8.71, 122.58 ppm): 4 chemical-shift based assignments, quality = 0.911, support = 0.282, residual support = 0.509: HA ILE 101 - HN VAL 40 25.000% * 73.0546% (0.95 0.36 0.69) = 73.055% kept HA HIS+ 98 - HN VAL 40 25.000% * 18.5620% (0.95 0.09 0.02) = 18.562% kept HA MET 97 - HN VAL 40 25.000% * 5.4645% (0.31 0.08 0.02) = 5.465% kept HA ALA 33 - HN VAL 40 25.000% * 2.9188% (0.68 0.02 0.02) = 2.919% kept Not enough support, support cutoff is 0.30 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 390 (8.42, 8.43, 122.24 ppm): 1 diagonal assignment: * HN GLU- 75 - HN GLU- 75 (0.89) kept Peak 391 (2.23, 8.43, 122.24 ppm): 16 chemical-shift based assignments, quality = 0.707, support = 0.946, residual support = 1.48: HB3 PRO 35 - HN GLU- 75 6.250% * 54.1175% (0.86 1.47 2.60) = 54.117% kept HG3 GLU- 18 - HN GLU- 75 6.250% * 10.3346% (0.69 0.35 0.02) = 10.335% kept HB3 PRO 52 - HN GLU- 75 6.250% * 9.5807% (0.92 0.24 0.02) = 9.581% kept HA1 GLY 58 - HN GLU- 75 6.250% * 9.3451% (0.40 0.54 0.59) = 9.345% kept HG3 GLN 16 - HN GLU- 75 6.250% * 4.0067% (0.17 0.54 0.02) = 4.007% kept HG3 GLU- 54 - HN GLU- 75 6.250% * 3.6957% (0.25 0.35 0.18) = 3.696% kept HB3 ASN 15 - HN GLU- 75 6.250% * 3.6829% (0.76 0.11 0.17) = 3.683% kept HG3 GLU- 56 - HN GLU- 75 6.250% * 0.8049% (0.94 0.02 0.02) = 0.805% HG3 GLU- 10 - HN GLU- 75 6.250% * 0.7631% (0.89 0.02 0.02) = 0.763% HG2 GLU- 56 - HN GLU- 75 6.250% * 0.7381% (0.87 0.02 0.02) = 0.738% HG3 GLN 102 - HN GLU- 75 6.250% * 0.6813% (0.80 0.02 0.66) = 0.681% HG2 GLU- 64 - HN GLU- 75 6.250% * 0.6671% (0.78 0.02 0.02) = 0.667% HB2 GLU- 50 - HN GLU- 75 6.250% * 0.5161% (0.61 0.02 0.02) = 0.516% HG3 MET 97 - HN GLU- 75 6.250% * 0.4142% (0.49 0.02 0.02) = 0.414% HG3 GLU- 64 - HN GLU- 75 6.250% * 0.3896% (0.46 0.02 0.02) = 0.390% HG3 GLU- 107 - HN GLU- 75 6.250% * 0.2626% (0.31 0.02 0.02) = 0.263% Reference assignment not found: HG3 GLU- 75 - HN GLU- 75 Peak 392 (1.55, 8.43, 122.24 ppm): 9 chemical-shift based assignments, quality = 0.85, support = 1.26, residual support = 1.42: HB3 LEU 90 - HN GLU- 75 11.111% * 26.9579% (0.87 1.57 1.95) = 26.958% kept HG12 ILE 29 - HN GLU- 75 11.111% * 23.9511% (0.80 1.51 1.70) = 23.951% kept QG2 THR 24 - HN GLU- 75 11.111% * 21.6375% (0.99 1.10 0.63) = 21.637% kept HG13 ILE 29 - HN GLU- 75 11.111% * 19.4217% (0.94 1.04 1.70) = 19.422% kept HG LEU 17 - HN GLU- 75 11.111% * 4.5458% (0.37 0.61 0.02) = 4.546% kept HD3 LYS+ 60 - HN GLU- 75 11.111% * 2.4242% (0.45 0.27 0.97) = 2.424% kept HB ILE 19 - HN GLU- 75 11.111% * 0.5369% (0.34 0.08 0.02) = 0.537% QB ALA 42 - HN GLU- 75 11.111% * 0.3168% (0.80 0.02 0.02) = 0.317% HD3 LYS+ 81 - HN GLU- 75 11.111% * 0.2081% (0.52 0.02 0.02) = 0.208% Reference assignment not found: HG LEU 74 - HN GLU- 75 Peak 393 (2.02, 8.43, 122.24 ppm): 11 chemical-shift based assignments, quality = 0.444, support = 2.45, residual support = 9.23: * O HB3 GLU- 75 - HN GLU- 75 9.091% * 87.1307% (0.40 10.0 2.74 10.58) = 87.131% kept HB3 GLU- 54 - HN GLU- 75 9.091% * 5.9354% (0.80 1.0 0.68 0.18) = 5.935% kept HB2 GLU- 18 - HN GLU- 75 9.091% * 3.4673% (0.89 1.0 0.35 0.02) = 3.467% kept HB2 HIS+ 14 - HN GLU- 75 9.091% * 2.4313% (0.80 1.0 0.28 0.02) = 2.431% kept HB3 GLU- 107 - HN GLU- 75 9.091% * 0.2187% (1.00 1.0 0.02 0.02) = 0.219% HB3 PRO 31 - HN GLU- 75 9.091% * 0.2068% (0.94 1.0 0.02 0.02) = 0.207% HB3 GLU- 10 - HN GLU- 75 9.091% * 0.1961% (0.89 1.0 0.02 0.02) = 0.196% HB3 GLU- 45 - HN GLU- 75 9.091% * 0.1671% (0.76 1.0 0.02 0.02) = 0.167% HG2 PRO 86 - HN GLU- 75 9.091% * 0.1588% (0.72 1.0 0.02 1.98) = 0.159% HG3 PRO 86 - HN GLU- 75 9.091% * 0.0545% (0.25 1.0 0.02 1.98) = 0.055% HG3 GLU- 64 - HN GLU- 75 9.091% * 0.0332% (0.15 1.0 0.02 0.02) = 0.033% Peak 394 (1.40, 8.43, 122.24 ppm): 11 chemical-shift based assignments, quality = 0.754, support = 0.362, residual support = 0.677: HG LEU 67 - HN GLU- 75 9.091% * 36.2412% (0.83 0.52 1.73) = 36.241% kept HD3 LYS+ 20 - HN GLU- 75 9.091% * 20.6241% (1.00 0.25 0.02) = 20.624% kept HG13 ILE 68 - HN GLU- 75 9.091% * 18.6023% (0.72 0.31 0.14) = 18.602% kept QG2 THR 39 - HN GLU- 75 9.091% * 13.1962% (0.52 0.30 0.14) = 13.196% kept QB ALA 91 - HN GLU- 75 9.091% * 6.1378% (0.17 0.42 0.02) = 6.138% kept QB ALA 93 - HN GLU- 75 9.091% * 1.4511% (0.87 0.02 0.02) = 1.451% kept HG13 ILE 100 - HN GLU- 75 9.091% * 1.4511% (0.87 0.02 0.02) = 1.451% kept QB ALA 37 - HN GLU- 75 9.091% * 1.0822% (0.65 0.02 0.02) = 1.082% kept HG2 LYS+ 78 - HN GLU- 75 9.091% * 0.5706% (0.34 0.02 0.02) = 0.571% HD3 LYS+ 44 - HN GLU- 75 9.091% * 0.4171% (0.25 0.02 0.58) = 0.417% QB ALA 11 - HN GLU- 75 9.091% * 0.2264% (0.14 0.02 0.02) = 0.226% Reference assignment not found: HG LEU 74 - HN GLU- 75 Peak 395 (1.89, 8.43, 122.24 ppm): 7 chemical-shift based assignments, quality = 0.794, support = 0.523, residual support = 0.397: HB3 ARG+ 53 - HN GLU- 75 14.286% * 54.4532% (0.83 0.70 0.42) = 54.453% kept HB3 GLN 16 - HN GLU- 75 14.286% * 16.6466% (1.00 0.18 0.02) = 16.647% kept HG2 GLU- 18 - HN GLU- 75 14.286% * 14.8666% (1.00 0.16 0.02) = 14.867% kept HB2 LEU 23 - HN GLU- 75 14.286% * 11.9163% (0.17 0.73 1.32) = 11.916% kept * HB3 GLN 102 - HN GLU- 75 14.286% * 1.0521% (0.56 0.02 0.66) = 1.052% kept HD3 LYS+ 63 - HN GLU- 75 14.286% * 0.6975% (0.37 0.02 0.02) = 0.697% HB3 GLU- 56 - HN GLU- 75 14.286% * 0.3678% (0.20 0.02 0.02) = 0.368% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 396 (0.82, 8.43, 122.24 ppm): 8 chemical-shift based assignments, quality = 0.815, support = 0.756, residual support = 1.29: QD2 LEU 67 - HN GLU- 75 12.500% * 26.8306% (0.69 1.24 1.73) = 26.831% kept QD2 LEU 90 - HN GLU- 75 12.500% * 21.4908% (0.92 0.74 1.95) = 21.491% kept QD1 ILE 29 - HN GLU- 75 12.500% * 19.4732% (0.80 0.77 1.70) = 19.473% kept QG1 VAL 94 - HN GLU- 75 12.500% * 14.1183% (0.98 0.46 0.51) = 14.118% kept QD2 LEU 17 - HN GLU- 75 12.500% * 7.3672% (0.98 0.24 0.02) = 7.367% kept QG1 VAL 13 - HN GLU- 75 12.500% * 7.2162% (0.80 0.29 0.02) = 7.216% kept QG2 VAL 13 - HN GLU- 75 12.500% * 3.3790% (0.31 0.35 0.02) = 3.379% kept QD1 ILE 100 - HN GLU- 75 12.500% * 0.1248% (0.20 0.02 0.02) = 0.125% Reference assignment not found: HG LEU 74 - HN GLU- 75 Peak 397 (8.48, 8.50, 122.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 398 (4.72, 8.50, 122.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 399 (4.81, 8.50, 122.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 400 (1.84, 8.50, 122.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 401 (4.40, 8.50, 122.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 402 (2.20, 8.50, 122.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 403 (4.26, 8.50, 122.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 404 (4.79, 8.45, 122.40 ppm): 3 chemical-shift based assignments, quality = 0.299, support = 1.02, residual support = 0.783: HA LEU 23 - HN GLU- 75 33.333% * 53.5896% (0.36 1.18 1.32) = 53.590% kept HA ASN 15 - HN GLU- 75 33.333% * 28.6751% (0.28 0.81 0.17) = 28.675% kept HB THR 39 - HN GLU- 75 33.333% * 17.7353% (0.16 0.87 0.14) = 17.735% kept Peak 406 (0.83, 8.45, 122.40 ppm): 7 chemical-shift based assignments, quality = 0.339, support = 0.707, residual support = 1.21: QD1 ILE 29 - HN GLU- 75 14.286% * 24.3545% (0.40 0.77 1.70) = 24.354% kept QD2 LEU 67 - HN GLU- 75 14.286% * 20.1279% (0.21 1.24 1.73) = 20.128% kept QD2 LEU 90 - HN GLU- 75 14.286% * 18.8355% (0.33 0.74 1.95) = 18.836% kept QG1 VAL 94 - HN GLU- 75 14.286% * 15.1136% (0.42 0.46 0.51) = 15.114% kept QG1 VAL 13 - HN GLU- 75 14.286% * 9.0251% (0.40 0.29 0.02) = 9.025% kept QD2 LEU 17 - HN GLU- 75 14.286% * 6.9021% (0.37 0.24 0.02) = 6.902% kept QG2 VAL 13 - HN GLU- 75 14.286% * 5.6414% (0.21 0.35 0.02) = 5.641% kept Reference assignment not found: HG LEU 74 - HN GLU- 75 Peak 407 (4.30, 8.45, 122.40 ppm): 11 chemical-shift based assignments, quality = 0.251, support = 0.883, residual support = 1.28: HA LEU 90 - HN GLU- 75 9.091% * 35.0967% (0.24 1.33 1.95) = 35.097% kept HA ILE 29 - HN GLU- 75 9.091% * 31.7836% (0.31 0.94 1.70) = 31.784% kept HA VAL 94 - HN GLU- 75 9.091% * 9.1679% (0.13 0.64 0.51) = 9.168% kept HA ALA 93 - HN GLU- 75 9.091% * 8.3297% (0.22 0.34 0.02) = 8.330% kept HA ASP- 36 - HN GLU- 75 9.091% * 6.5353% (0.43 0.14 0.13) = 6.535% kept HA PRO 52 - HN GLU- 75 9.091% * 4.3194% (0.12 0.33 0.02) = 4.319% kept HD3 PRO 59 - HN GLU- 75 9.091% * 3.2312% (0.12 0.25 0.02) = 3.231% kept HA THR 106 - HN GLU- 75 9.091% * 0.8094% (0.37 0.02 0.02) = 0.809% HA ARG+ 84 - HN GLU- 75 9.091% * 0.2595% (0.12 0.02 0.02) = 0.259% HA SER 85 - HN GLU- 75 9.091% * 0.2595% (0.12 0.02 0.13) = 0.259% HA VAL 65 - HN GLU- 75 9.091% * 0.2078% (0.09 0.02 0.02) = 0.208% Peak 408 (4.25, 8.43, 122.17 ppm): 20 chemical-shift based assignments, quality = 0.704, support = 1.38, residual support = 8.07: * O HA GLU- 75 - HN GLU- 75 5.000% * 76.0704% (0.69 10.0 1.54 10.58) = 76.070% kept HA ASN 76 - HN GLU- 75 5.000% * 9.5532% (0.93 1.0 1.43 0.10) = 9.553% kept HA ALA 11 - HN GLU- 75 5.000% * 5.0667% (0.95 1.0 0.75 0.02) = 5.067% kept HA GLU- 54 - HN GLU- 75 5.000% * 3.4322% (0.69 1.0 0.70 0.18) = 3.432% kept HA PRO 59 - HN GLU- 75 5.000% * 1.6022% (0.90 1.0 0.25 0.02) = 1.602% kept HA VAL 94 - HN GLU- 75 5.000% * 1.2036% (0.26 1.0 0.64 0.51) = 1.204% kept HA GLU- 18 - HN GLU- 75 5.000% * 0.9886% (0.39 1.0 0.35 0.02) = 0.989% HA PRO 52 - HN GLU- 75 5.000% * 0.6988% (0.29 1.0 0.33 0.02) = 0.699% HD3 PRO 59 - HN GLU- 75 5.000% * 0.5228% (0.29 1.0 0.25 0.02) = 0.523% HA GLU- 107 - HN GLU- 75 5.000% * 0.1312% (0.92 1.0 0.02 0.02) = 0.131% HA GLU- 56 - HN GLU- 75 5.000% * 0.1286% (0.90 1.0 0.02 0.02) = 0.129% HA LYS+ 108 - HN GLU- 75 5.000% * 0.0988% (0.69 1.0 0.02 0.02) = 0.099% HA GLU- 10 - HN GLU- 75 5.000% * 0.0988% (0.69 1.0 0.02 0.02) = 0.099% HA GLU- 64 - HN GLU- 75 5.000% * 0.0934% (0.65 1.0 0.02 0.02) = 0.093% HA ALA 42 - HN GLU- 75 5.000% * 0.0715% (0.50 1.0 0.02 0.02) = 0.072% HA SER 49 - HN GLU- 75 5.000% * 0.0610% (0.43 1.0 0.02 0.27) = 0.061% HA VAL 65 - HN GLU- 75 5.000% * 0.0510% (0.36 1.0 0.02 0.02) = 0.051% HB3 SER 49 - HN GLU- 75 5.000% * 0.0434% (0.30 1.0 0.02 0.27) = 0.043% HA SER 85 - HN GLU- 75 5.000% * 0.0420% (0.29 1.0 0.02 0.13) = 0.042% HA ARG+ 84 - HN GLU- 75 5.000% * 0.0420% (0.29 1.0 0.02 0.02) = 0.042% Peak 409 (8.42, 8.43, 122.17 ppm): 1 diagonal assignment: * HN GLU- 75 - HN GLU- 75 (0.79) kept Peak 412 (7.81, 7.81, 122.18 ppm): 1 diagonal assignment: * HN LYS+ 55 - HN LYS+ 55 (0.96) kept Peak 413 (1.76, 7.81, 122.18 ppm): 7 chemical-shift based assignments, quality = 0.368, support = 1.03, residual support = 0.315: HG3 ARG+ 53 - HN LYS+ 55 14.286% * 34.3977% (0.31 1.42 0.36) = 34.398% kept HG3 LYS+ 63 - HN LYS+ 55 14.286% * 19.8265% (0.20 1.27 0.57) = 19.827% kept HB3 GLU- 18 - HN LYS+ 55 14.286% * 18.8110% (0.56 0.42 0.10) = 18.811% kept HG2 PRO 31 - HN LYS+ 55 14.286% * 16.4581% (0.17 1.20 0.35) = 16.458% kept HB2 LEU 17 - HN LYS+ 55 14.286% * 8.5990% (0.94 0.12 0.02) = 8.599% kept HB3 LEU 23 - HN LYS+ 55 14.286% * 1.0803% (0.68 0.02 0.02) = 1.080% kept HB ILE 48 - HN LYS+ 55 14.286% * 0.8274% (0.52 0.02 0.02) = 0.827% Reference assignment not found: HB3 ARG+ 53 - HN LYS+ 55 Peak 414 (9.06, 7.81, 122.18 ppm): 2 chemical-shift based assignments, quality = 0.83, support = 2.69, residual support = 9.8: * T HN GLU- 54 - HN LYS+ 55 50.000% * 99.9131% (0.83 10.00 2.70 9.81) = 99.913% kept HN LYS+ 66 - HN LYS+ 55 50.000% * 0.0869% (0.72 1.00 0.02 0.02) = 0.087% Peak 415 (1.93, 7.81, 122.18 ppm): 10 chemical-shift based assignments, quality = 0.598, support = 2.81, residual support = 8.73: * O HB3 LYS+ 55 - HN LYS+ 55 10.000% * 86.2499% (0.60 10.0 3.08 9.60) = 86.250% kept HB3 GLU- 56 - HN LYS+ 55 10.000% * 6.3419% (0.68 1.0 1.30 6.58) = 6.342% kept HD3 LYS+ 63 - HN LYS+ 55 10.000% * 3.5702% (0.45 1.0 1.12 0.57) = 3.570% kept HG3 PRO 31 - HN LYS+ 55 10.000% * 3.2773% (0.56 1.0 0.81 0.35) = 3.277% kept HB2 GLU- 10 - HN LYS+ 55 10.000% * 0.1409% (0.99 1.0 0.02 0.02) = 0.141% HB ILE 29 - HN LYS+ 55 10.000% * 0.1275% (0.89 1.0 0.02 0.02) = 0.128% HB2 GLU- 75 - HN LYS+ 55 10.000% * 0.1139% (0.80 1.0 0.02 0.02) = 0.114% HB2 LEU 23 - HN LYS+ 55 10.000% * 0.1033% (0.72 1.0 0.02 0.02) = 0.103% HB3 GLN 102 - HN LYS+ 55 10.000% * 0.0395% (0.28 1.0 0.02 0.02) = 0.040% HB VAL 13 - HN LYS+ 55 10.000% * 0.0355% (0.25 1.0 0.02 0.02) = 0.035% Peak 416 (4.50, 7.81, 122.18 ppm): 4 chemical-shift based assignments, quality = 0.77, support = 1.06, residual support = 0.609: HB THR 79 - HN LYS+ 55 25.000% * 40.1254% (0.99 0.99 0.31) = 40.125% kept HB THR 46 - HN LYS+ 55 25.000% * 37.8341% (0.64 1.44 0.85) = 37.834% kept HA SER 77 - HN LYS+ 55 25.000% * 12.2958% (0.80 0.38 0.02) = 12.296% kept HA LYS+ 32 - HN LYS+ 55 25.000% * 9.7447% (0.31 0.78 1.67) = 9.745% kept Reference assignment not found: HA LYS+ 55 - HN LYS+ 55 Peak 417 (4.23, 7.81, 122.18 ppm): 14 chemical-shift based assignments, quality = 0.869, support = 2.47, residual support = 9.46: * O HA GLU- 54 - HN LYS+ 55 7.143% * 94.3750% (0.89 10.0 2.54 9.81) = 94.375% kept HA GLU- 56 - HN LYS+ 55 7.143% * 2.9799% (0.28 1.0 2.04 6.58) = 2.980% kept HA GLU- 18 - HN LYS+ 55 7.143% * 1.9192% (0.99 1.0 0.37 0.10) = 1.919% kept HA SER 49 - HN LYS+ 55 7.143% * 0.1052% (1.00 1.0 0.02 0.02) = 0.105% HA ALA 42 - HN LYS+ 55 7.143% * 0.1043% (0.99 1.0 0.02 0.02) = 0.104% HA LYS+ 108 - HN LYS+ 55 7.143% * 0.0944% (0.89 1.0 0.02 0.02) = 0.094% HA GLU- 10 - HN LYS+ 55 7.143% * 0.0944% (0.89 1.0 0.02 0.02) = 0.094% HA GLU- 12 - HN LYS+ 55 7.143% * 0.0723% (0.68 1.0 0.02 0.02) = 0.072% HA PRO 59 - HN LYS+ 55 7.143% * 0.0681% (0.64 1.0 0.02 0.02) = 0.068% HB3 SER 49 - HN LYS+ 55 7.143% * 0.0494% (0.47 1.0 0.02 0.02) = 0.049% HA ALA 11 - HN LYS+ 55 7.143% * 0.0433% (0.41 1.0 0.02 0.02) = 0.043% HA ASN 76 - HN LYS+ 55 7.143% * 0.0359% (0.34 1.0 0.02 0.02) = 0.036% HA GLU- 107 - HN LYS+ 55 7.143% * 0.0325% (0.31 1.0 0.02 0.02) = 0.032% HA ASP- 82 - HN LYS+ 55 7.143% * 0.0262% (0.25 1.0 0.02 0.02) = 0.026% Peak 418 (2.19, 7.81, 122.18 ppm): 14 chemical-shift based assignments, quality = 0.839, support = 1.31, residual support = 0.305: HG2 GLU- 64 - HN LYS+ 55 7.143% * 52.2801% (0.99 1.88 0.39) = 52.280% kept HG3 GLU- 64 - HN LYS+ 55 7.143% * 19.8545% (0.83 0.86 0.39) = 19.854% kept HB3 PRO 35 - HN LYS+ 55 7.143% * 12.6262% (0.68 0.66 0.15) = 12.626% kept HB2 ASP- 82 - HN LYS+ 55 7.143% * 9.2450% (0.68 0.48 0.02) = 9.245% kept HB2 GLU- 50 - HN LYS+ 55 7.143% * 3.2990% (0.15 0.77 0.02) = 3.299% kept HB VAL 99 - HN LYS+ 55 7.143% * 0.4992% (0.89 0.02 0.02) = 0.499% HB3 PRO 104 - HN LYS+ 55 7.143% * 0.4828% (0.86 0.02 0.02) = 0.483% HG2 GLN 16 - HN LYS+ 55 7.143% * 0.4649% (0.83 0.02 0.02) = 0.465% HG2 GLN 102 - HN LYS+ 55 7.143% * 0.3601% (0.64 0.02 0.02) = 0.360% HG3 GLN 16 - HN LYS+ 55 7.143% * 0.3151% (0.56 0.02 0.02) = 0.315% HA1 GLY 58 - HN LYS+ 55 7.143% * 0.1832% (0.33 0.02 0.02) = 0.183% HB3 GLU- 75 - HN LYS+ 55 7.143% * 0.1422% (0.25 0.02 0.02) = 0.142% HG3 MET 97 - HN LYS+ 55 7.143% * 0.1239% (0.22 0.02 0.02) = 0.124% HG2 PRO 104 - HN LYS+ 55 7.143% * 0.1239% (0.22 0.02 0.02) = 0.124% Reference assignment not found: HG3 GLU- 54 - HN LYS+ 55 Peak 419 (1.28, 7.81, 122.18 ppm): 6 chemical-shift based assignments, quality = 0.75, support = 2.57, residual support = 9.06: * O HB2 LYS+ 55 - HN LYS+ 55 16.667% * 93.3397% (0.76 10.0 2.67 9.60) = 93.340% kept HG2 LYS+ 32 - HN LYS+ 55 16.667% * 5.8650% (0.68 1.0 1.40 1.67) = 5.865% kept HG13 ILE 101 - HN LYS+ 55 16.667% * 0.5102% (0.99 1.0 0.08 0.02) = 0.510% HG2 LYS+ 81 - HN LYS+ 55 16.667% * 0.1197% (0.98 1.0 0.02 0.02) = 0.120% HB3 LEU 74 - HN LYS+ 55 16.667% * 0.1059% (0.86 1.0 0.02 0.02) = 0.106% QB ALA 103 - HN LYS+ 55 16.667% * 0.0594% (0.48 1.0 0.02 0.02) = 0.059% Peak 420 (1.60, 7.81, 122.18 ppm): 8 chemical-shift based assignments, quality = 0.842, support = 0.578, residual support = 1.42: HD3 LYS+ 32 - HN LYS+ 55 12.500% * 61.4928% (0.99 0.73 1.67) = 61.493% kept HB3 LYS+ 32 - HN LYS+ 55 12.500% * 23.5223% (0.76 0.36 1.67) = 23.522% kept HG3 LYS+ 78 - HN LYS+ 55 12.500% * 12.1310% (0.45 0.32 0.02) = 12.131% kept HB ILE 19 - HN LYS+ 55 12.500% * 1.5067% (0.15 0.12 0.02) = 1.507% kept HB ILE 68 - HN LYS+ 55 12.500% * 0.3761% (0.22 0.02 0.55) = 0.376% HG LEU 43 - HN LYS+ 55 12.500% * 0.3761% (0.22 0.02 0.02) = 0.376% HG12 ILE 101 - HN LYS+ 55 12.500% * 0.3343% (0.20 0.02 0.02) = 0.334% HG LEU 23 - HN LYS+ 55 12.500% * 0.2607% (0.15 0.02 0.02) = 0.261% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 424 (1.95, 8.07, 122.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 425 (4.42, 8.07, 122.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 426 (1.57, 8.07, 122.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 427 (2.35, 8.07, 122.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 428 (8.08, 8.07, 122.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 429 (0.87, 8.07, 122.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 430 (1.16, 8.07, 122.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 431 (7.31, 7.32, 122.31 ppm): 1 diagonal assignment: * HN VAL 47 - HN VAL 47 (0.87) kept Peak 432 (0.10, 7.32, 122.31 ppm): 1 chemical-shift based assignment, quality = 0.565, support = 4.61, residual support = 74.2: QG2 VAL 47 - HN VAL 47 100.000% *100.0000% (0.57 4.61 74.16) = 100.000% kept Peak 433 (2.14, 7.32, 122.31 ppm): 13 chemical-shift based assignments, quality = 0.697, support = 4.05, residual support = 59.6: * O HB VAL 47 - HN VAL 47 7.692% * 80.3613% (0.69 10.0 4.77 74.16) = 80.361% kept HG2 GLU- 45 - HN VAL 47 7.692% * 7.6946% (0.76 1.0 1.72 0.11) = 7.695% kept HB3 GLU- 75 - HN VAL 47 7.692% * 3.1505% (0.75 1.0 0.72 0.21) = 3.150% kept HG2 GLU- 64 - HN VAL 47 7.692% * 3.1296% (0.74 1.0 0.72 0.34) = 3.130% kept HG3 GLU- 64 - HN VAL 47 7.692% * 3.0851% (0.99 1.0 0.53 0.34) = 3.085% kept HB3 PRO 35 - HN VAL 47 7.692% * 2.1876% (0.46 1.0 0.81 0.02) = 2.188% kept HB2 ASP- 28 - HN VAL 47 7.692% * 0.1147% (0.98 1.0 0.02 0.02) = 0.115% HB3 LYS+ 78 - HN VAL 47 7.692% * 0.0977% (0.83 1.0 0.02 0.02) = 0.098% HB VAL 105 - HN VAL 47 7.692% * 0.0662% (0.57 1.0 0.02 0.02) = 0.066% HB VAL 87 - HN VAL 47 7.692% * 0.0361% (0.31 1.0 0.02 0.02) = 0.036% HA1 GLY 58 - HN VAL 47 7.692% * 0.0295% (0.25 1.0 0.02 0.02) = 0.029% HG2 PRO 104 - HN VAL 47 7.692% * 0.0292% (0.25 1.0 0.02 0.02) = 0.029% HB3 LEU 43 - HN VAL 47 7.692% * 0.0181% (0.15 1.0 0.02 0.25) = 0.018% Peak 434 (4.50, 7.32, 122.31 ppm): 4 chemical-shift based assignments, quality = 0.677, support = 3.0, residual support = 14.2: * HB THR 46 - HN VAL 47 25.000% * 92.5528% (0.69 3.23 15.34) = 92.553% kept HA LYS+ 32 - HN VAL 47 25.000% * 3.5181% (0.28 0.30 0.02) = 3.518% kept HB THR 79 - HN VAL 47 25.000% * 3.2912% (0.99 0.08 0.02) = 3.291% kept HA SER 77 - HN VAL 47 25.000% * 0.6380% (0.76 0.02 0.02) = 0.638% Peak 435 (7.78, 7.32, 122.31 ppm): 4 chemical-shift based assignments, quality = 0.833, support = 4.25, residual support = 15.1: * T HN THR 46 - HN VAL 47 25.000% * 98.7350% (0.83 10.00 4.30 15.34) = 98.735% kept HN VAL 87 - HN VAL 47 25.000% * 1.1918% (0.80 1.00 0.25 0.02) = 1.192% kept HN ALA 37 - HN VAL 47 25.000% * 0.0403% (0.34 1.00 0.02 0.02) = 0.040% HN ALA 93 - HN VAL 47 25.000% * 0.0329% (0.28 1.00 0.02 0.02) = 0.033% Peak 436 (0.89, 7.32, 122.31 ppm): 7 chemical-shift based assignments, quality = 0.705, support = 4.38, residual support = 64.4: * QG1 VAL 47 - HN VAL 47 14.286% * 86.7746% (0.73 4.95 74.16) = 86.775% kept QD1 LEU 67 - HN VAL 47 14.286% * 11.7155% (0.65 0.75 0.61) = 11.715% kept QG1 VAL 80 - HN VAL 47 14.286% * 0.4819% (1.00 0.02 0.02) = 0.482% QG2 VAL 87 - HN VAL 47 14.286% * 0.3867% (0.80 0.02 0.02) = 0.387% QG2 VAL 40 - HN VAL 47 14.286% * 0.3867% (0.80 0.02 0.02) = 0.387% QG2 ILE 100 - HN VAL 47 14.286% * 0.1343% (0.28 0.02 0.02) = 0.134% QD1 LEU 90 - HN VAL 47 14.286% * 0.1204% (0.25 0.02 0.02) = 0.120% Peak 437 (1.29, 7.32, 122.31 ppm): 7 chemical-shift based assignments, quality = 0.571, support = 2.62, residual support = 8.48: * QG2 THR 46 - HN VAL 47 14.286% * 54.5139% (0.34 4.39 15.34) = 54.514% kept QB ALA 103 - HN VAL 47 14.286% * 24.0633% (0.92 0.72 0.47) = 24.063% kept HB2 LYS+ 55 - HN VAL 47 14.286% * 10.8940% (1.00 0.30 0.02) = 10.894% kept HG13 ILE 101 - HN VAL 47 14.286% * 5.3185% (0.69 0.21 0.02) = 5.318% kept HG2 LYS+ 32 - HN VAL 47 14.286% * 3.1563% (0.25 0.35 0.02) = 3.156% kept HG2 LYS+ 81 - HN VAL 47 14.286% * 1.7549% (0.61 0.08 0.02) = 1.755% kept HB3 LEU 74 - HN VAL 47 14.286% * 0.2990% (0.41 0.02 0.02) = 0.299% Peak 438 (3.08, 7.32, 122.31 ppm): 3 chemical-shift based assignments, quality = 0.525, support = 4.39, residual support = 74.1: * O HA VAL 47 - HN VAL 47 33.333% * 99.8564% (0.53 10.0 4.39 74.16) = 99.856% kept HB3 TRP 51 - HN VAL 47 33.333% * 0.0780% (0.41 1.0 0.02 2.08) = 0.078% HA1 GLY 58 - HN VAL 47 33.333% * 0.0656% (0.35 1.0 0.02 0.02) = 0.066% Peak 439 (8.48, 8.48, 122.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 440 (4.37, 8.48, 122.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 441 (4.78, 8.48, 122.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 442 (1.76, 8.48, 122.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 6 chemical-shift based assignments, quality = 0.986, support = 3.56, residual support = 34.0: * O HB3 LYS+ 72 - HN LYS+ 72 16.667% * 97.7203% (1.00 10.0 3.64 34.74) = 97.720% kept HB VAL 94 - HN LYS+ 72 16.667% * 1.1130% (0.90 1.0 0.25 0.02) = 1.113% kept HB2 LYS+ 66 - HN LYS+ 72 16.667% * 0.9279% (0.80 1.0 0.24 0.02) = 0.928% HB2 PRO 104 - HN LYS+ 72 16.667% * 0.0975% (1.00 1.0 0.02 0.02) = 0.098% HB3 LYS+ 60 - HN LYS+ 72 16.667% * 0.0975% (1.00 1.0 0.02 0.02) = 0.098% HB2 PRO 59 - HN LYS+ 72 16.667% * 0.0438% (0.45 1.0 0.02 0.02) = 0.044% Peak 445 (0.67, 7.96, 122.12 ppm): 7 chemical-shift based assignments, quality = 0.685, support = 1.92, residual support = 1.21: QG2 ILE 68 - HN LYS+ 72 14.286% * 33.1067% (0.49 3.51 3.00) = 33.107% kept QG1 VAL 62 - HN LYS+ 72 14.286% * 26.1036% (0.96 1.40 0.59) = 26.104% kept QG2 ILE 48 - HN LYS+ 72 14.286% * 16.7527% (0.96 0.90 0.14) = 16.753% kept QG2 ILE 101 - HN LYS+ 72 14.286% * 11.9237% (0.43 1.42 0.35) = 11.924% kept HG12 ILE 19 - HN LYS+ 72 14.286% * 6.9576% (0.53 0.68 0.02) = 6.958% kept * QG2 VAL 94 - HN LYS+ 72 14.286% * 4.9965% (0.49 0.53 0.02) = 4.997% kept QD1 ILE 19 - HN LYS+ 72 14.286% * 0.1592% (0.41 0.02 0.02) = 0.159% Peak 446 (1.49, 7.96, 122.12 ppm): 7 chemical-shift based assignments, quality = 0.509, support = 3.33, residual support = 28.2: * O HB2 LYS+ 72 - HN LYS+ 72 14.286% * 67.6361% (0.45 10.0 3.50 34.74) = 67.636% kept QB ALA 70 - HN LYS+ 72 14.286% * 15.1839% (0.96 1.0 2.09 2.00) = 15.184% kept HG3 LYS+ 72 - HN LYS+ 72 14.286% * 12.4923% (0.34 1.0 4.86 34.74) = 12.492% kept HB3 LEU 67 - HN LYS+ 72 14.286% * 3.2772% (0.45 1.0 0.97 0.22) = 3.277% kept HG13 ILE 48 - HN LYS+ 72 14.286% * 1.1824% (0.20 1.0 0.79 0.14) = 1.182% kept HB3 LYS+ 44 - HN LYS+ 72 14.286% * 0.1427% (0.94 1.0 0.02 0.02) = 0.143% HD3 LYS+ 108 - HN LYS+ 72 14.286% * 0.0854% (0.57 1.0 0.02 0.02) = 0.085% Peak 447 (8.79, 7.96, 122.12 ppm): 4 chemical-shift based assignments, quality = 0.857, support = 0.72, residual support = 1.31: T HN SER 69 - HN LYS+ 72 25.000% * 98.9414% (0.87 10.00 0.73 1.32) = 98.941% kept HN LYS+ 32 - HN LYS+ 72 25.000% * 0.7465% (0.22 1.00 0.21 0.02) = 0.746% HN THR 95 - HN LYS+ 72 25.000% * 0.2153% (0.69 1.00 0.02 0.02) = 0.215% HN ASN 57 - HN LYS+ 72 25.000% * 0.0968% (0.31 1.00 0.02 0.02) = 0.097% Peak 448 (4.57, 7.96, 122.12 ppm): 5 chemical-shift based assignments, quality = 0.644, support = 3.56, residual support = 34.6: * O HA LYS+ 72 - HN LYS+ 72 20.000% * 99.6641% (0.65 10.0 3.57 34.74) = 99.664% kept HA LYS+ 78 - HN LYS+ 72 20.000% * 0.1537% (1.00 1.0 0.02 0.02) = 0.154% HA LYS+ 55 - HN LYS+ 72 20.000% * 0.1058% (0.69 1.0 0.02 0.02) = 0.106% HA LEU 17 - HN LYS+ 72 20.000% * 0.0526% (0.34 1.0 0.02 0.02) = 0.053% HA ASP- 25 - HN LYS+ 72 20.000% * 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 = 3.15, residual support = 12.2: * O HA1 GLY 71 - HN LYS+ 72 16.667% * 96.0631% (0.65 10.0 3.27 12.67) = 96.063% kept HA VAL 62 - HN LYS+ 72 16.667% * 2.4516% (0.76 1.0 0.43 0.59) = 2.452% kept HA ILE 48 - HN LYS+ 72 16.667% * 1.0710% (0.41 1.0 0.35 0.14) = 1.071% kept HA VAL 40 - HN LYS+ 72 16.667% * 0.1482% (1.00 1.0 0.02 0.02) = 0.148% HA VAL 80 - HN LYS+ 72 16.667% * 0.1472% (0.99 1.0 0.02 0.02) = 0.147% HD3 PRO 31 - HN LYS+ 72 16.667% * 0.1189% (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 = 0.59, support = 3.16, residual support = 11.5: * O HA2 GLY 71 - HN LYS+ 72 12.500% * 89.2267% (0.61 10.0 3.24 12.67) = 89.227% kept HA ALA 70 - HN LYS+ 72 12.500% * 8.9405% (0.41 1.0 2.96 2.00) = 8.941% kept HB3 SER 49 - HN LYS+ 72 12.500% * 1.3564% (0.93 1.0 0.20 0.02) = 1.356% kept HA ARG+ 53 - HN LYS+ 72 12.500% * 0.1358% (0.92 1.0 0.02 0.02) = 0.136% HD2 PRO 59 - HN LYS+ 72 12.500% * 0.1178% (0.80 1.0 0.02 0.02) = 0.118% HA THR 46 - HN LYS+ 72 12.500% * 0.1124% (0.76 1.0 0.02 0.02) = 0.112% HB2 SER 88 - HN LYS+ 72 12.500% * 0.0552% (0.37 1.0 0.02 0.02) = 0.055% HA LYS+ 63 - HN LYS+ 72 12.500% * 0.0552% (0.37 1.0 0.02 0.02) = 0.055% Peak 451 (4.38, 8.39, 122.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 452 (1.81, 8.39, 122.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 = 5.18, residual support = 31.8: * O HA LEU 67 - HN ILE 68 100.000% *100.0000% (0.31 10.0 5.18 31.78) = 100.000% kept Peak 455 (0.90, 8.87, 121.88 ppm): 7 chemical-shift based assignments, quality = 0.784, support = 5.22, residual support = 42.7: QD1 LEU 67 - HN ILE 68 14.286% * 77.8184% (0.94 4.98 31.78) = 77.818% kept HG12 ILE 68 - HN ILE 68 14.286% * 19.6908% (0.17 6.81 91.50) = 19.691% kept QG1 VAL 47 - HN ILE 68 14.286% * 1.4433% (0.98 0.09 0.02) = 1.443% kept QG2 VAL 87 - HN ILE 68 14.286% * 0.3295% (1.00 0.02 0.02) = 0.330% QG2 VAL 40 - HN ILE 68 14.286% * 0.3295% (1.00 0.02 0.02) = 0.330% QG1 VAL 80 - HN ILE 68 14.286% * 0.2865% (0.87 0.02 0.02) = 0.286% QG2 VAL 80 - HN ILE 68 14.286% * 0.1019% (0.31 0.02 0.02) = 0.102% Reference assignment not found: HG13 ILE 68 - HN ILE 68 Peak 456 (0.70, 8.87, 121.88 ppm): 10 chemical-shift based assignments, quality = 0.71, support = 4.44, residual support = 68.3: QG2 ILE 68 - HN ILE 68 10.000% * 74.5849% (0.65 5.81 91.50) = 74.585% kept QG2 ILE 101 - HN ILE 68 10.000% * 12.4109% (1.00 0.63 0.02) = 12.411% kept QG2 ILE 48 - HN ILE 68 10.000% * 7.2051% (0.95 0.38 0.02) = 7.205% kept QG2 THR 96 - HN ILE 68 10.000% * 2.8178% (0.94 0.15 0.02) = 2.818% kept QG2 VAL 94 - HN ILE 68 10.000% * 1.4390% (0.65 0.11 0.02) = 1.439% kept QG1 VAL 40 - HN ILE 68 10.000% * 0.7506% (0.15 0.25 0.02) = 0.751% QD1 ILE 19 - HN ILE 68 10.000% * 0.2882% (0.73 0.02 0.02) = 0.288% HG12 ILE 19 - HN ILE 68 10.000% * 0.2407% (0.61 0.02 0.02) = 0.241% HG LEU 74 - HN ILE 68 10.000% * 0.1932% (0.49 0.02 2.28) = 0.193% QG1 VAL 62 - HN ILE 68 10.000% * 0.0695% (0.17 0.02 0.02) = 0.070% Reference assignment not found: HG LEU 67 - HN ILE 68 Peak 457 (1.63, 8.87, 121.88 ppm): 7 chemical-shift based assignments, quality = 0.994, support = 6.39, residual support = 85.0: O HB ILE 68 - HN ILE 68 14.286% * 92.8998% (1.00 10.0 6.82 91.50) = 92.900% kept HG LEU 43 - HN ILE 68 14.286% * 3.4507% (1.00 1.0 0.74 1.23) = 3.451% kept HG12 ILE 101 - HN ILE 68 14.286% * 3.4245% (1.00 1.0 0.74 0.02) = 3.424% kept HG LEU 23 - HN ILE 68 14.286% * 0.0923% (0.99 1.0 0.02 0.02) = 0.092% HG3 LYS+ 78 - HN ILE 68 14.286% * 0.0808% (0.87 1.0 0.02 0.02) = 0.081% HB3 ARG+ 22 - HN ILE 68 14.286% * 0.0287% (0.31 1.0 0.02 0.11) = 0.029% HD3 LYS+ 32 - HN ILE 68 14.286% * 0.0232% (0.25 1.0 0.02 0.02) = 0.023% Reference assignment not found: HB2 LEU 67 - HN ILE 68 Peak 458 (1.38, 8.87, 121.88 ppm): 13 chemical-shift based assignments, quality = 0.834, support = 5.35, residual support = 74.4: HG13 ILE 68 - HN ILE 68 7.692% * 74.5299% (1.00 6.03 91.50) = 74.530% kept HG LEU 67 - HN ILE 68 7.692% * 19.5099% (0.37 4.21 31.78) = 19.510% kept HG13 ILE 100 - HN ILE 68 7.692% * 4.1128% (0.41 0.81 0.18) = 4.113% kept QG2 THR 39 - HN ILE 68 7.692% * 0.9063% (0.94 0.08 0.02) = 0.906% HG2 LYS+ 78 - HN ILE 68 7.692% * 0.1979% (0.80 0.02 0.02) = 0.198% HD3 LYS+ 20 - HN ILE 68 7.692% * 0.1889% (0.76 0.02 0.14) = 0.189% QB ALA 11 - HN ILE 68 7.692% * 0.1203% (0.49 0.02 0.02) = 0.120% HB3 LYS+ 20 - HN ILE 68 7.692% * 0.1108% (0.45 0.02 0.14) = 0.111% QB ALA 93 - HN ILE 68 7.692% * 0.1016% (0.41 0.02 0.02) = 0.102% HB3 LEU 17 - HN ILE 68 7.692% * 0.0687% (0.28 0.02 0.02) = 0.069% QB ALA 37 - HN ILE 68 7.692% * 0.0550% (0.22 0.02 0.02) = 0.055% HG3 ARG+ 22 - HN ILE 68 7.692% * 0.0489% (0.20 0.02 0.11) = 0.049% HG3 LYS+ 81 - HN ILE 68 7.692% * 0.0489% (0.20 0.02 0.02) = 0.049% Peak 459 (1.19, 8.87, 121.88 ppm): 5 chemical-shift based assignments, quality = 0.366, support = 4.08, residual support = 25.3: HB2 LEU 67 - HN ILE 68 20.000% * 78.3425% (0.28 5.13 31.78) = 78.342% kept HB2 LEU 74 - HN ILE 68 20.000% * 15.1784% (0.80 0.34 2.28) = 15.178% kept HB2 LEU 43 - HN ILE 68 20.000% * 3.2484% (0.37 0.16 1.23) = 3.248% kept QG2 THR 106 - HN ILE 68 20.000% * 3.0131% (0.49 0.11 0.80) = 3.013% kept HG3 PRO 59 - HN ILE 68 20.000% * 0.2176% (0.20 0.02 0.02) = 0.218% Reference assignment not found: HB ILE 68 - HN ILE 68 Peak 460 (9.45, 8.87, 121.88 ppm): 1 chemical-shift based assignment, quality = 0.523, support = 2.68, residual support = 12.2: T HN HIS+ 98 - HN ILE 68 100.000% *100.0000% (0.52 10.00 2.68 12.21) = 100.000% kept Peak 462 (8.26, 8.28, 122.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 463 (8.25, 8.26, 122.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 464 (3.90, 8.26, 122.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 465 (4.78, 8.26, 122.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 466 (2.72, 8.26, 122.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 3 chemical-shift based assignments, quality = 0.0302, support = 0.939, residual support = 0.535: HA ASN 15 - HN VAL 94 33.333% * 65.6983% (0.04 0.99 0.73) = 65.698% kept HB THR 39 - HN VAL 94 33.333% * 28.1544% (0.02 1.00 0.19) = 28.154% kept HA LEU 23 - HN VAL 94 33.333% * 6.1473% (0.04 0.09 0.02) = 6.147% kept 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): 10 chemical-shift based assignments, quality = 0.0771, support = 0.952, residual support = 10.1: HB2 LEU 23 - HN VAL 99 10.000% * 82.9171% (0.08 1.14 12.21) = 82.917% kept HB3 GLN 102 - HN VAL 99 10.000% * 3.2497% (0.02 0.14 0.02) = 3.250% kept HB2 GLU- 10 - HN VAL 99 10.000% * 2.5490% (0.13 0.02 0.02) = 2.549% kept HB2 GLU- 75 - HN VAL 99 10.000% * 2.3740% (0.12 0.02 0.02) = 2.374% kept HB3 LYS+ 55 - HN VAL 99 10.000% * 1.9654% (0.10 0.02 0.02) = 1.965% kept HB ILE 29 - HN VAL 99 10.000% * 1.9654% (0.10 0.02 0.02) = 1.965% kept HG3 PRO 31 - HN VAL 99 10.000% * 1.8675% (0.10 0.02 0.02) = 1.867% kept HB3 GLU- 56 - HN VAL 99 10.000% * 1.3530% (0.07 0.02 0.02) = 1.353% kept HB VAL 13 - HN VAL 99 10.000% * 0.9652% (0.05 0.02 0.02) = 0.965% HD3 LYS+ 63 - HN VAL 99 10.000% * 0.7938% (0.04 0.02 0.02) = 0.794% Peak 480 (8.34, 8.34, 121.70 ppm): 5 chemical-shift based assignments, quality = 0.114, support = 0.32, residual support = 0.163: T HN GLU- 50 - HN VAL 99 20.000% * 75.4368% (0.12 10.00 0.23 0.21) = 75.437% kept HN ALA 103 - HN VAL 99 20.000% * 21.5798% (0.12 1.00 0.67 0.02) = 21.580% kept T HN ASN 76 - HN VAL 99 20.000% * 2.3011% (0.04 10.00 0.02 0.02) = 2.301% kept HN LYS+ 108 - HN VAL 99 20.000% * 0.4522% (0.08 1.00 0.02 0.02) = 0.452% HN GLY 71 - HN VAL 99 20.000% * 0.2301% (0.04 1.00 0.02 0.02) = 0.230% Not enough quality. Peak unassigned. Peak 481 (4.21, 8.34, 121.70 ppm): 9 chemical-shift based assignments, quality = 0.0929, support = 0.414, residual support = 0.131: HB3 SER 49 - HN VAL 99 11.111% * 52.8501% (0.09 0.61 0.16) = 52.850% kept HA ASP- 82 - HN VAL 99 11.111% * 28.3527% (0.12 0.23 0.02) = 28.353% kept HA GLU- 18 - HN VAL 99 11.111% * 12.2900% (0.07 0.19 0.30) = 12.290% kept HA GLU- 12 - HN VAL 99 11.111% * 2.4877% (0.12 0.02 0.02) = 2.488% kept HA SER 49 - HN VAL 99 11.111% * 1.2082% (0.06 0.02 0.16) = 1.208% kept HA ALA 42 - HN VAL 99 11.111% * 1.0114% (0.05 0.02 0.02) = 1.011% kept HA LYS+ 108 - HN VAL 99 11.111% * 0.6000% (0.03 0.02 0.02) = 0.600% HA GLU- 10 - HN VAL 99 11.111% * 0.6000% (0.03 0.02 0.02) = 0.600% HA GLU- 54 - HN VAL 99 11.111% * 0.6000% (0.03 0.02 0.02) = 0.600% Not enough quality. Peak unassigned. Peak 482 (2.22, 8.34, 121.70 ppm): 14 chemical-shift based assignments, quality = 0.119, support = 0.801, residual support = 0.351: HG3 GLU- 18 - HN VAL 99 7.143% * 39.9822% (0.13 1.11 0.30) = 39.982% kept HG3 MET 97 - HN VAL 99 7.143% * 27.1569% (0.12 0.82 0.79) = 27.157% kept HG3 GLN 102 - HN VAL 99 7.143% * 19.9096% (0.13 0.56 0.02) = 19.910% kept HA1 GLY 58 - HN VAL 99 7.143% * 4.8974% (0.05 0.35 0.21) = 4.897% kept HG3 GLN 16 - HN VAL 99 7.143% * 3.8276% (0.08 0.19 0.02) = 3.828% kept HB2 GLU- 50 - HN VAL 99 7.143% * 0.7073% (0.13 0.02 0.21) = 0.707% HB3 PRO 52 - HN VAL 99 7.143% * 0.6661% (0.12 0.02 0.02) = 0.666% HG2 GLU- 64 - HN VAL 99 7.143% * 0.6331% (0.12 0.02 0.02) = 0.633% HB3 PRO 35 - HN VAL 99 7.143% * 0.5918% (0.11 0.02 0.02) = 0.592% HG3 GLU- 64 - HN VAL 99 7.143% * 0.4055% (0.08 0.02 0.02) = 0.406% HG3 GLU- 56 - HN VAL 99 7.143% * 0.3796% (0.07 0.02 0.02) = 0.380% HG3 GLU- 10 - HN VAL 99 7.143% * 0.3235% (0.06 0.02 0.02) = 0.324% HG2 GLU- 56 - HN VAL 99 7.143% * 0.2966% (0.06 0.02 0.02) = 0.297% HB3 ASN 15 - HN VAL 99 7.143% * 0.2227% (0.04 0.02 0.02) = 0.223% Not enough quality. Peak unassigned. 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 (7.88, 7.88, 121.81 ppm): 1 diagonal assignment: * HN LEU 90 - HN LEU 90 (0.92) kept Peak 491 (1.61, 7.88, 121.81 ppm): 7 chemical-shift based assignments, quality = 0.75, support = 1.04, residual support = 0.53: HD3 LYS+ 32 - HN LEU 90 14.286% * 70.5192% (0.87 1.32 0.45) = 70.519% kept HG LEU 23 - HN LEU 90 14.286% * 14.9761% (0.45 0.54 1.33) = 14.976% kept HG LEU 43 - HN LEU 90 14.286% * 9.6630% (0.57 0.28 0.02) = 9.663% kept HB3 LYS+ 32 - HN LEU 90 14.286% * 2.4677% (0.37 0.11 0.45) = 2.468% kept HG3 LYS+ 78 - HN LEU 90 14.286% * 1.0287% (0.83 0.02 0.02) = 1.029% kept HB ILE 68 - HN LEU 90 14.286% * 0.6973% (0.57 0.02 0.02) = 0.697% HG12 ILE 101 - HN LEU 90 14.286% * 0.6480% (0.53 0.02 0.02) = 0.648% Reference assignment not found: HB3 LEU 17 - HN LEU 90 Peak 492 (4.29, 7.88, 121.81 ppm): 13 chemical-shift based assignments, quality = 0.825, support = 3.07, residual support = 9.38: * O HA LEU 90 - HN LEU 90 7.692% * 98.1592% (0.83 10.0 3.12 9.55) = 98.159% kept HD3 PRO 59 - HN LEU 90 7.692% * 1.1811% (0.53 1.0 0.38 0.02) = 1.181% kept HA THR 106 - HN LEU 90 7.692% * 0.1173% (1.00 1.0 0.02 0.02) = 0.117% HA ASP- 36 - HN LEU 90 7.692% * 0.1085% (0.92 1.0 0.02 0.02) = 0.108% HA VAL 94 - HN LEU 90 7.692% * 0.0665% (0.57 1.0 0.02 0.02) = 0.067% HA ARG+ 84 - HN LEU 90 7.692% * 0.0618% (0.53 1.0 0.02 0.02) = 0.062% HA PRO 52 - HN LEU 90 7.692% * 0.0618% (0.53 1.0 0.02 0.02) = 0.062% HA SER 85 - HN LEU 90 7.692% * 0.0618% (0.53 1.0 0.02 0.02) = 0.062% HA ILE 29 - HN LEU 90 7.692% * 0.0527% (0.45 1.0 0.02 0.02) = 0.053% HA VAL 65 - HN LEU 90 7.692% * 0.0527% (0.45 1.0 0.02 0.02) = 0.053% HA ALA 93 - HN LEU 90 7.692% * 0.0327% (0.28 1.0 0.02 0.02) = 0.033% HA GLU- 64 - HN LEU 90 7.692% * 0.0233% (0.20 1.0 0.02 0.02) = 0.023% HA GLU- 75 - HN LEU 90 7.692% * 0.0206% (0.17 1.0 0.02 1.95) = 0.021% Peak 493 (4.68, 7.88, 121.81 ppm): 4 chemical-shift based assignments, quality = 0.995, support = 1.83, residual support = 4.77: * O HA ASN 89 - HN LEU 90 25.000% * 99.8417% (1.00 10.0 1.84 4.78) = 99.842% kept HA TYR 83 - HN LEU 90 25.000% * 0.1031% (0.94 1.0 0.02 0.02) = 0.103% HA GLN 16 - HN LEU 90 25.000% * 0.0336% (0.31 1.0 0.02 0.02) = 0.034% HA VAL 99 - HN LEU 90 25.000% * 0.0216% (0.20 1.0 0.02 0.02) = 0.022% Peak 494 (8.29, 7.88, 121.81 ppm): 5 chemical-shift based assignments, quality = 0.778, support = 2.41, residual support = 5.86: * HN ASN 89 - HN LEU 90 20.000% * 48.8498% (0.76 2.72 4.78) = 48.850% kept HN ALA 91 - HN LEU 90 20.000% * 43.6689% (0.76 2.43 8.08) = 43.669% kept HN ASP- 28 - HN LEU 90 20.000% * 7.2330% (1.00 0.31 0.02) = 7.233% kept HN GLN 16 - HN LEU 90 20.000% * 0.1309% (0.28 0.02 0.02) = 0.131% HN VAL 99 - HN LEU 90 20.000% * 0.1174% (0.25 0.02 0.02) = 0.117% Peak 495 (0.87, 7.88, 121.81 ppm): 6 chemical-shift based assignments, quality = 0.883, support = 1.15, residual support = 8.91: * QD1 LEU 90 - HN LEU 90 16.667% * 93.2687% (0.92 1.23 9.55) = 93.269% kept QG2 VAL 13 - HN LEU 90 16.667% * 2.2293% (0.22 0.12 0.02) = 2.229% kept QG2 VAL 40 - HN LEU 90 16.667% * 2.0154% (0.15 0.16 0.02) = 2.015% kept QG2 ILE 100 - HN LEU 90 16.667% * 1.5564% (0.94 0.02 0.02) = 1.556% kept QG1 VAL 80 - HN LEU 90 16.667% * 0.6764% (0.41 0.02 0.02) = 0.676% QG2 VAL 87 - HN LEU 90 16.667% * 0.2539% (0.15 0.02 0.02) = 0.254% Peak 496 (2.80, 7.88, 121.81 ppm): 4 chemical-shift based assignments, quality = 0.743, support = 1.49, residual support = 2.48: * HB3 ASN 89 - HN LEU 90 25.000% * 46.8061% (0.57 2.49 4.78) = 46.806% kept HA2 GLY 58 - HN LEU 90 25.000% * 23.2566% (0.92 0.76 0.45) = 23.257% kept HE3 LYS+ 32 - HN LEU 90 25.000% * 15.1759% (0.90 0.51 0.45) = 15.176% kept HA1 GLY 58 - HN LEU 90 25.000% * 14.7614% (0.87 0.51 0.45) = 14.761% kept Peak 497 (4.81, 7.88, 121.81 ppm): 3 chemical-shift based assignments, quality = 0.935, support = 0.955, residual support = 1.14: HA LEU 23 - HN LEU 90 33.333% * 78.6874% (0.98 1.13 1.33) = 78.687% kept HB THR 39 - HN LEU 90 33.333% * 19.1194% (0.83 0.32 0.47) = 19.119% kept HA ASN 15 - HN LEU 90 33.333% * 2.1933% (0.22 0.14 0.14) = 2.193% kept Peak 500 (2.11, 9.30, 121.49 ppm): 11 chemical-shift based assignments, quality = 0.372, support = 3.03, residual support = 14.2: * HB2 ASP- 28 - HN ILE 29 9.091% * 61.5744% (0.34 4.45 22.47) = 61.574% kept HA1 GLY 58 - HN ILE 29 9.091% * 14.0293% (0.22 1.58 2.20) = 14.029% kept HG2 GLU- 45 - HN ILE 29 9.091% * 11.3101% (0.65 0.43 0.61) = 11.310% kept HB3 PRO 35 - HN ILE 29 9.091% * 4.9570% (0.36 0.34 0.02) = 4.957% kept HB3 LEU 43 - HN ILE 29 9.091% * 4.2651% (0.96 0.11 0.02) = 4.265% kept HB VAL 87 - HN ILE 29 9.091% * 0.8038% (0.99 0.02 0.02) = 0.804% HB3 GLU- 75 - HN ILE 29 9.091% * 0.7679% (0.95 0.02 1.70) = 0.768% HG3 GLU- 64 - HN ILE 29 9.091% * 0.7104% (0.87 0.02 0.02) = 0.710% HB VAL 105 - HN ILE 29 9.091% * 0.6774% (0.83 0.02 0.02) = 0.677% HB VAL 65 - HN ILE 29 9.091% * 0.4919% (0.61 0.02 0.02) = 0.492% HG2 GLU- 64 - HN ILE 29 9.091% * 0.4125% (0.51 0.02 0.02) = 0.413% Peak 502 (1.55, 9.30, 121.49 ppm): 9 chemical-shift based assignments, quality = 0.916, support = 4.59, residual support = 45.9: * HG13 ILE 29 - HN ILE 29 11.111% * 44.4884% (1.00 5.40 54.10) = 44.488% kept HG12 ILE 29 - HN ILE 29 11.111% * 37.6480% (0.94 4.83 54.10) = 37.648% kept HG LEU 17 - HN ILE 29 11.111% * 12.6593% (0.57 2.71 11.28) = 12.659% kept QG2 THR 24 - HN ILE 29 11.111% * 4.5738% (0.98 0.57 0.54) = 4.574% kept HB3 LEU 90 - HN ILE 29 11.111% * 0.1616% (0.98 0.02 0.02) = 0.162% QB ALA 42 - HN ILE 29 11.111% * 0.1559% (0.94 0.02 0.02) = 0.156% HD3 LYS+ 81 - HN ILE 29 11.111% * 0.1197% (0.73 0.02 0.02) = 0.120% HD3 LYS+ 60 - HN ILE 29 11.111% * 0.1066% (0.65 0.02 0.02) = 0.107% HB ILE 19 - HN ILE 29 11.111% * 0.0867% (0.53 0.02 0.02) = 0.087% Peak 503 (0.95, 9.30, 121.49 ppm): 10 chemical-shift based assignments, quality = 0.917, support = 4.9, residual support = 44.5: * QG2 ILE 29 - HN ILE 29 10.000% * 78.1869% (0.99 5.76 54.10) = 78.187% kept QD1 LEU 17 - HN ILE 29 10.000% * 19.7362% (0.73 1.98 11.28) = 19.736% kept QG1 VAL 105 - HN ILE 29 10.000% * 0.7870% (0.76 0.08 0.02) = 0.787% QG2 VAL 73 - HN ILE 29 10.000% * 0.2733% (1.00 0.02 0.02) = 0.273% QG2 VAL 62 - HN ILE 29 10.000% * 0.2715% (0.99 0.02 0.02) = 0.271% QG2 VAL 99 - HN ILE 29 10.000% * 0.1989% (0.73 0.02 0.02) = 0.199% QG2 VAL 105 - HN ILE 29 10.000% * 0.1881% (0.69 0.02 0.02) = 0.188% HB2 ARG+ 84 - HN ILE 29 10.000% * 0.1772% (0.65 0.02 0.02) = 0.177% HG12 ILE 68 - HN ILE 29 10.000% * 0.1126% (0.41 0.02 0.02) = 0.113% QG2 VAL 80 - HN ILE 29 10.000% * 0.0683% (0.25 0.02 0.02) = 0.068% Peak 504 (8.93, 9.30, 121.49 ppm): 5 chemical-shift based assignments, quality = 0.691, support = 2.5, residual support = 19.3: * T HN PHE 21 - HN ILE 29 20.000% * 85.9350% (0.73 10.00 2.40 21.88) = 85.935% kept HN ARG+ 22 - HN ILE 29 20.000% * 11.5148% (0.53 1.00 3.70 4.59) = 11.515% kept HN THR 96 - HN ILE 29 20.000% * 1.2314% (0.61 1.00 0.34 0.02) = 1.231% kept HN GLN 102 - HN ILE 29 20.000% * 0.8752% (0.37 1.00 0.39 0.02) = 0.875% HN LEU 17 - HN ILE 29 20.000% * 0.4436% (0.17 1.00 0.43 11.28) = 0.444% Peak 505 (2.97, 9.30, 121.49 ppm): 3 chemical-shift based assignments, quality = 0.773, support = 2.82, residual support = 16.7: HB2 PHE 21 - HN ILE 29 33.333% * 73.9088% (0.87 3.32 21.88) = 73.909% kept HA1 GLY 58 - HN ILE 29 33.333% * 22.2523% (0.55 1.58 2.20) = 22.252% kept HE3 LYS+ 55 - HN ILE 29 33.333% * 3.8389% (0.28 0.54 0.02) = 3.839% kept Peak 506 (1.37, 8.21, 121.57 ppm): 9 chemical-shift based assignments, quality = 0.65, support = 1.86, residual support = 5.27: HB3 LEU 17 - HN VAL 94 11.111% * 52.8448% (0.60 2.99 8.81) = 52.845% kept HB3 LYS+ 20 - HN VAL 94 11.111% * 21.6506% (0.75 0.97 2.45) = 21.651% kept HG2 LYS+ 78 - HN VAL 94 11.111% * 7.5704% (0.87 0.29 0.02) = 7.570% kept HG3 LYS+ 81 - HN VAL 94 11.111% * 5.6347% (0.49 0.39 0.10) = 5.635% kept QB ALA 11 - HN VAL 94 11.111% * 4.7723% (0.78 0.21 0.02) = 4.772% kept QG2 THR 39 - HN VAL 94 11.111% * 2.6881% (0.80 0.11 0.19) = 2.688% kept HD3 LYS+ 20 - HN VAL 94 11.111% * 2.6558% (0.30 0.30 2.45) = 2.656% kept HG13 ILE 68 - HN VAL 94 11.111% * 1.8920% (0.66 0.10 0.02) = 1.892% kept HG3 ARG+ 22 - HN VAL 94 11.111% * 0.2913% (0.49 0.02 0.02) = 0.291% Peak 507 (4.27, 8.21, 121.57 ppm): 17 chemical-shift based assignments, quality = 0.849, support = 3.76, residual support = 47.9: O HA VAL 94 - HN VAL 94 5.882% * 97.1727% (0.86 10.0 3.86 49.31) = 97.173% kept HD3 PRO 59 - HN VAL 94 5.882% * 1.6801% (0.87 1.0 0.34 0.02) = 1.680% kept HB3 SER 49 - HN VAL 94 5.882% * 0.1872% (0.17 1.0 0.19 0.02) = 0.187% HA VAL 65 - HN VAL 94 5.882% * 0.1005% (0.89 1.0 0.02 0.02) = 0.100% HA PRO 52 - HN VAL 94 5.882% * 0.0987% (0.87 1.0 0.02 0.02) = 0.099% * HA SER 85 - HN VAL 94 5.882% * 0.0987% (0.87 1.0 0.02 0.02) = 0.099% HA ARG+ 84 - HN VAL 94 5.882% * 0.0987% (0.87 1.0 0.02 0.02) = 0.099% HA GLU- 64 - HN VAL 94 5.882% * 0.0903% (0.80 1.0 0.02 0.02) = 0.090% HA GLU- 75 - HN VAL 94 5.882% * 0.0873% (0.77 1.0 0.02 0.51) = 0.087% HA LEU 90 - HN VAL 94 5.882% * 0.0770% (0.68 1.0 0.02 0.02) = 0.077% HA GLU- 56 - HN VAL 94 5.882% * 0.0611% (0.54 1.0 0.02 0.02) = 0.061% HA GLU- 107 - HN VAL 94 5.882% * 0.0570% (0.50 1.0 0.02 0.02) = 0.057% HA ASN 76 - HN VAL 94 5.882% * 0.0530% (0.47 1.0 0.02 0.02) = 0.053% HA ALA 11 - HN VAL 94 5.882% * 0.0451% (0.40 1.0 0.02 0.02) = 0.045% HA THR 106 - HN VAL 94 5.882% * 0.0451% (0.40 1.0 0.02 0.02) = 0.045% HA PRO 59 - HN VAL 94 5.882% * 0.0251% (0.22 1.0 0.02 0.02) = 0.025% HA ASP- 36 - HN VAL 94 5.882% * 0.0224% (0.20 1.0 0.02 0.02) = 0.022% Reference assignment eliminated. Peak 508 (0.80, 8.21, 121.57 ppm): 7 chemical-shift based assignments, quality = 0.474, support = 3.71, residual support = 21.9: QD2 LEU 17 - HN VAL 94 14.286% * 58.3849% (0.53 4.08 8.81) = 58.385% kept * QG1 VAL 94 - HN VAL 94 14.286% * 33.9282% (0.33 3.83 49.31) = 33.928% kept QD2 LEU 67 - HN VAL 94 14.286% * 6.7856% (0.82 0.30 0.02) = 6.786% kept QD1 ILE 100 - HN VAL 94 14.286% * 0.3938% (0.72 0.02 0.02) = 0.394% QD2 LEU 90 - HN VAL 94 14.286% * 0.3424% (0.63 0.02 0.02) = 0.342% QD1 ILE 29 - HN VAL 94 14.286% * 0.0826% (0.15 0.02 0.02) = 0.083% QG1 VAL 13 - HN VAL 94 14.286% * 0.0826% (0.15 0.02 0.02) = 0.083% Peak 509 (8.21, 8.21, 121.57 ppm): 1 diagonal assignment: * HN VAL 94 - HN VAL 94 (0.80) kept Peak 510 (1.80, 8.21, 121.57 ppm): 9 chemical-shift based assignments, quality = 0.554, support = 1.15, residual support = 1.15: HB3 GLU- 18 - HN VAL 94 11.111% * 33.2738% (0.27 2.57 3.18) = 33.274% kept HG3 LYS+ 63 - HN VAL 94 11.111% * 20.4930% (0.63 0.67 0.25) = 20.493% kept HG2 PRO 31 - HN VAL 94 11.111% * 14.9140% (0.66 0.46 0.02) = 14.914% kept HB3 LYS+ 63 - HN VAL 94 11.111% * 13.8812% (0.87 0.33 0.25) = 13.881% kept HB3 LYS+ 108 - HN VAL 94 11.111% * 9.9986% (0.87 0.24 0.02) = 9.999% kept HG3 ARG+ 53 - HN VAL 94 11.111% * 6.0426% (0.49 0.25 0.02) = 6.043% kept HB3 ARG+ 84 - HN VAL 94 11.111% * 0.7015% (0.72 0.02 0.02) = 0.701% * HD3 LYS+ 72 - HN VAL 94 11.111% * 0.4088% (0.42 0.02 0.02) = 0.409% HG3 LYS+ 108 - HN VAL 94 11.111% * 0.2865% (0.30 0.02 0.02) = 0.286% Reference assignment eliminated. 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, 8.22, 121.46 ppm): 18 chemical-shift based assignments, quality = 0.741, support = 1.82, residual support = 5.17: HB3 LEU 17 - HN VAL 94 5.556% * 51.6239% (0.72 2.99 8.81) = 51.624% kept HB3 LYS+ 20 - HN VAL 94 5.556% * 20.6856% (0.89 0.97 2.45) = 20.686% kept HG2 LYS+ 78 - HN VAL 94 5.556% * 6.9494% (0.98 0.29 0.02) = 6.949% kept HG3 LYS+ 81 - HN VAL 94 5.556% * 5.5784% (0.60 0.39 0.10) = 5.578% kept QB ALA 11 - HN VAL 94 5.556% * 4.5393% (0.91 0.21 0.02) = 4.539% kept QG2 THR 39 - HN VAL 94 5.556% * 2.4134% (0.89 0.11 0.19) = 2.413% kept HG13 ILE 68 - HN VAL 105 5.556% * 2.2266% (0.18 0.52 2.25) = 2.227% kept HD3 LYS+ 20 - HN VAL 94 5.556% * 2.2207% (0.31 0.30 2.45) = 2.221% kept HG13 ILE 68 - HN VAL 94 5.556% * 1.6613% (0.72 0.10 0.02) = 1.661% kept HG3 LYS+ 81 - HN VAL 105 5.556% * 0.8634% (0.15 0.24 0.02) = 0.863% QG2 THR 39 - HN VAL 105 5.556% * 0.4211% (0.22 0.08 0.02) = 0.421% HG3 ARG+ 22 - HN VAL 94 5.556% * 0.2884% (0.60 0.02 0.02) = 0.288% HG2 LYS+ 78 - HN VAL 105 5.556% * 0.1177% (0.24 0.02 0.02) = 0.118% QB ALA 11 - HN VAL 105 5.556% * 0.1096% (0.23 0.02 0.02) = 0.110% HB3 LYS+ 20 - HN VAL 105 5.556% * 0.1065% (0.22 0.02 0.02) = 0.106% HB3 LEU 17 - HN VAL 105 5.556% * 0.0862% (0.18 0.02 0.02) = 0.086% HG3 ARG+ 22 - HN VAL 105 5.556% * 0.0720% (0.15 0.02 0.13) = 0.072% HD3 LYS+ 20 - HN VAL 105 5.556% * 0.0366% (0.08 0.02 0.02) = 0.037% Peak 518 (1.86, 8.22, 121.46 ppm): 12 chemical-shift based assignments, quality = 0.84, support = 3.53, residual support = 42.1: O HB VAL 94 - HN VAL 94 8.333% * 81.8021% (0.98 10.0 3.72 49.31) = 81.802% kept O HB2 PRO 104 - HN VAL 105 8.333% * 17.8728% (0.21 10.0 2.74 10.10) = 17.873% kept HB2 PRO 104 - HN VAL 94 8.333% * 0.0716% (0.86 1.0 0.02 0.02) = 0.072% * HB3 LYS+ 72 - HN VAL 94 8.333% * 0.0689% (0.83 1.0 0.02 0.02) = 0.069% HB3 LYS+ 60 - HN VAL 94 8.333% * 0.0661% (0.79 1.0 0.02 0.02) = 0.066% HB2 LYS+ 66 - HN VAL 94 8.333% * 0.0370% (0.44 1.0 0.02 0.02) = 0.037% HB VAL 94 - HN VAL 105 8.333% * 0.0204% (0.24 1.0 0.02 0.02) = 0.020% HB3 LYS+ 72 - HN VAL 105 8.333% * 0.0172% (0.21 1.0 0.02 0.02) = 0.017% HB3 LYS+ 60 - HN VAL 105 8.333% * 0.0165% (0.20 1.0 0.02 0.13) = 0.016% HB2 PRO 59 - HN VAL 94 8.333% * 0.0145% (0.17 1.0 0.02 0.02) = 0.014% HB2 LYS+ 66 - HN VAL 105 8.333% * 0.0092% (0.11 1.0 0.02 0.02) = 0.009% HB2 PRO 59 - HN VAL 105 8.333% * 0.0036% (0.04 1.0 0.02 0.02) = 0.004% Reference assignment eliminated. Peak 519 (0.83, 8.22, 121.46 ppm): 14 chemical-shift based assignments, quality = 0.741, support = 3.83, residual support = 30.4: * QG1 VAL 94 - HN VAL 94 7.143% * 54.0155% (0.86 3.83 49.31) = 54.016% kept QD2 LEU 17 - HN VAL 94 7.143% * 42.8948% (0.64 4.08 8.81) = 42.895% kept QD2 LEU 67 - HN VAL 94 7.143% * 1.3738% (0.27 0.30 0.02) = 1.374% kept QD1 ILE 29 - HN VAL 94 7.143% * 0.3240% (0.99 0.02 0.02) = 0.324% QG1 VAL 13 - HN VAL 94 7.143% * 0.3240% (0.99 0.02 0.02) = 0.324% QG1 VAL 94 - HN VAL 105 7.143% * 0.3228% (0.21 0.09 0.02) = 0.323% QG2 VAL 13 - HN VAL 94 7.143% * 0.2358% (0.72 0.02 0.02) = 0.236% QD2 LEU 90 - HN VAL 94 7.143% * 0.1709% (0.52 0.02 0.02) = 0.171% QG1 VAL 13 - HN VAL 105 7.143% * 0.0809% (0.25 0.02 0.02) = 0.081% QD1 ILE 29 - HN VAL 105 7.143% * 0.0809% (0.25 0.02 0.02) = 0.081% QG2 VAL 13 - HN VAL 105 7.143% * 0.0589% (0.18 0.02 0.02) = 0.059% QD2 LEU 17 - HN VAL 105 7.143% * 0.0524% (0.16 0.02 0.02) = 0.052% QD2 LEU 90 - HN VAL 105 7.143% * 0.0427% (0.13 0.02 0.02) = 0.043% QD2 LEU 67 - HN VAL 105 7.143% * 0.0225% (0.07 0.02 0.02) = 0.023% Peak 520 (8.21, 8.22, 121.46 ppm): 2 diagonal assignments: * HN VAL 94 - HN VAL 94 (0.93) kept HN VAL 105 - HN VAL 105 (0.24) kept Peak 521 (4.34, 8.22, 121.46 ppm): 8 chemical-shift based assignments, quality = 0.274, support = 2.07, residual support = 4.24: O HA ALA 93 - HN VAL 94 12.500% * 99.7157% (0.27 10.0 2.07 4.26) = 99.716% kept HA2 GLY 26 - HN VAL 94 12.500% * 0.0894% (0.25 1.0 0.02 0.02) = 0.089% HB THR 61 - HN VAL 94 12.500% * 0.0628% (0.17 1.0 0.02 0.02) = 0.063% HA ILE 29 - HN VAL 94 12.500% * 0.0553% (0.15 1.0 0.02 0.02) = 0.055% HA ALA 93 - HN VAL 105 12.500% * 0.0249% (0.07 1.0 0.02 0.02) = 0.025% HA2 GLY 26 - HN VAL 105 12.500% * 0.0223% (0.06 1.0 0.02 0.02) = 0.022% HB THR 61 - HN VAL 105 12.500% * 0.0157% (0.04 1.0 0.02 0.02) = 0.016% HA ILE 29 - HN VAL 105 12.500% * 0.0138% (0.04 1.0 0.02 0.02) = 0.014% Reference assignment not found: HA VAL 94 - HN VAL 94 Peak 522 (4.55, 8.22, 121.46 ppm): 10 chemical-shift based assignments, quality = 0.776, support = 1.95, residual support = 7.15: HA LEU 17 - HN VAL 94 10.000% * 80.8738% (0.89 2.18 8.81) = 80.874% kept HA LYS+ 78 - HN VAL 94 10.000% * 8.8506% (0.56 0.38 0.02) = 8.851% kept HA ALA 103 - HN VAL 105 10.000% * 8.4204% (0.11 1.82 0.25) = 8.420% kept HA LYS+ 55 - HN VAL 94 10.000% * 0.8191% (0.98 0.02 0.02) = 0.819% HA ALA 103 - HN VAL 94 10.000% * 0.3705% (0.44 0.02 0.02) = 0.370% HA LYS+ 55 - HN VAL 105 10.000% * 0.2045% (0.24 0.02 0.02) = 0.204% HA LEU 17 - HN VAL 105 10.000% * 0.1850% (0.22 0.02 0.02) = 0.185% HA LYS+ 72 - HN VAL 94 10.000% * 0.1275% (0.15 0.02 0.02) = 0.128% HA LYS+ 78 - HN VAL 105 10.000% * 0.1168% (0.14 0.02 0.02) = 0.117% HA LYS+ 72 - HN VAL 105 10.000% * 0.0318% (0.04 0.02 0.02) = 0.032% Peak 523 (2.88, 8.22, 121.46 ppm): 8 chemical-shift based assignments, quality = 0.412, support = 0.239, residual support = 0.0614: HE3 LYS+ 81 - HN VAL 94 12.500% * 49.6673% (0.31 0.39 0.10) = 49.667% kept HA1 GLY 58 - HN VAL 94 12.500% * 27.1037% (0.71 0.09 0.02) = 27.104% kept HB3 ASN 57 - HN VAL 94 12.500% * 16.6755% (0.37 0.11 0.02) = 16.676% kept HE3 LYS+ 81 - HN VAL 105 12.500% * 2.7107% (0.08 0.09 0.02) = 2.711% kept HA1 GLY 58 - HN VAL 105 12.500% * 1.4779% (0.18 0.02 0.02) = 1.478% kept HB2 HIS+ 98 - HN VAL 94 12.500% * 1.2735% (0.15 0.02 0.02) = 1.274% kept HB3 ASN 57 - HN VAL 105 12.500% * 0.7734% (0.09 0.02 0.02) = 0.773% HB2 HIS+ 98 - HN VAL 105 12.500% * 0.3179% (0.04 0.02 0.02) = 0.318% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 524 (1.76, 8.22, 121.46 ppm): 14 chemical-shift based assignments, quality = 0.732, support = 2.14, residual support = 5.97: HB2 LEU 17 - HN VAL 94 7.143% * 54.9613% (0.95 2.19 8.81) = 54.961% kept HB3 GLU- 18 - HN VAL 94 7.143% * 35.1142% (0.52 2.57 3.18) = 35.114% kept HG3 LYS+ 63 - HN VAL 94 7.143% * 3.0598% (0.17 0.67 0.25) = 3.060% kept HG2 PRO 31 - HN VAL 94 7.143% * 1.8641% (0.15 0.46 0.02) = 1.864% kept HG3 ARG+ 53 - HN VAL 94 7.143% * 1.8372% (0.27 0.25 0.02) = 1.837% kept HB3 LEU 23 - HN VAL 94 7.143% * 1.6661% (0.72 0.09 0.02) = 1.666% kept HB ILE 48 - HN VAL 105 7.143% * 0.8362% (0.14 0.23 0.02) = 0.836% HB ILE 48 - HN VAL 94 7.143% * 0.2944% (0.56 0.02 0.02) = 0.294% HB2 LEU 17 - HN VAL 105 7.143% * 0.1253% (0.24 0.02 0.02) = 0.125% HB3 LEU 23 - HN VAL 105 7.143% * 0.0943% (0.18 0.02 0.11) = 0.094% HB3 GLU- 18 - HN VAL 105 7.143% * 0.0683% (0.13 0.02 0.02) = 0.068% HG3 ARG+ 53 - HN VAL 105 7.143% * 0.0361% (0.07 0.02 0.02) = 0.036% HG3 LYS+ 63 - HN VAL 105 7.143% * 0.0227% (0.04 0.02 0.02) = 0.023% HG2 PRO 31 - HN VAL 105 7.143% * 0.0200% (0.04 0.02 0.02) = 0.020% Reference assignment not found: HB VAL 94 - HN VAL 94 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 = 0.848, support = 1.07, residual support = 7.16: HA ALA 33 - HN LYS+ 32 20.000% * 46.5081% (0.96 1.44 15.04) = 46.508% kept HA ILE 101 - HN LYS+ 32 20.000% * 22.7807% (0.68 0.99 0.46) = 22.781% kept HA HIS+ 98 - HN LYS+ 32 20.000% * 16.3132% (0.94 0.51 0.12) = 16.313% kept HA MET 97 - HN LYS+ 32 20.000% * 14.2805% (0.64 0.66 0.30) = 14.280% kept HA SER 69 - HN LYS+ 32 20.000% * 0.1175% (0.17 0.02 0.02) = 0.117% Peak 527 (1.98, 8.82, 121.40 ppm): 6 chemical-shift based assignments, quality = 0.841, support = 0.273, residual support = 0.521: HB VAL 73 - HN LYS+ 32 16.667% * 84.4176% (0.86 0.32 0.61) = 84.418% kept HG3 PRO 104 - HN LYS+ 32 16.667% * 5.6215% (0.92 0.02 0.02) = 5.621% kept HB2 LYS+ 108 - HN LYS+ 32 16.667% * 5.4614% (0.89 0.02 0.02) = 5.461% kept HB VAL 13 - HN LYS+ 32 16.667% * 2.0772% (0.34 0.02 0.02) = 2.077% kept HG2 PRO 86 - HN LYS+ 32 16.667% * 1.3558% (0.22 0.02 0.02) = 1.356% kept HB2 HIS+ 14 - HN LYS+ 32 16.667% * 1.0665% (0.17 0.02 0.02) = 1.066% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 528 (1.58, 8.82, 121.40 ppm): 11 chemical-shift based assignments, quality = 0.745, support = 2.33, residual support = 34.9: * O HB3 LYS+ 32 - HN LYS+ 32 9.091% * 87.6771% (0.76 10.0 2.48 38.08) = 87.677% kept HD3 LYS+ 60 - HN LYS+ 32 9.091% * 4.0302% (0.80 1.0 0.88 0.02) = 4.030% kept HB ILE 19 - HN LYS+ 32 9.091% * 4.0105% (0.89 1.0 0.78 1.57) = 4.010% kept HD3 LYS+ 32 - HN LYS+ 32 9.091% * 3.8988% (0.28 1.0 2.44 38.08) = 3.899% kept HG LEU 17 - HN LYS+ 32 9.091% * 0.0995% (0.86 1.0 0.02 0.21) = 0.100% HD3 LYS+ 81 - HN LYS+ 32 9.091% * 0.0833% (0.72 1.0 0.02 0.82) = 0.083% QB ALA 42 - HN LYS+ 32 9.091% * 0.0514% (0.45 1.0 0.02 0.02) = 0.051% HG12 ILE 29 - HN LYS+ 32 9.091% * 0.0514% (0.45 1.0 0.02 0.02) = 0.051% HB3 LEU 90 - HN LYS+ 32 9.091% * 0.0431% (0.37 1.0 0.02 0.45) = 0.043% HG13 ILE 29 - HN LYS+ 32 9.091% * 0.0319% (0.28 1.0 0.02 0.02) = 0.032% QG2 THR 24 - HN LYS+ 32 9.091% * 0.0227% (0.20 1.0 0.02 0.02) = 0.023% Peak 529 (4.46, 8.82, 121.40 ppm): 5 chemical-shift based assignments, quality = 0.5, support = 2.55, residual support = 36.3: * O HA LYS+ 32 - HN LYS+ 32 20.000% * 95.2623% (0.48 10.0 2.66 38.08) = 95.262% kept HA ILE 100 - HN LYS+ 32 20.000% * 2.2634% (0.86 1.0 0.27 0.02) = 2.263% kept HA GLN 102 - HN LYS+ 32 20.000% * 2.2634% (0.86 1.0 0.27 1.55) = 2.263% kept HA GLU- 50 - HN LYS+ 32 20.000% * 0.1807% (0.92 1.0 0.02 0.02) = 0.181% HB THR 24 - HN LYS+ 32 20.000% * 0.0302% (0.15 1.0 0.02 0.02) = 0.030% Peak 530 (4.73, 8.82, 121.40 ppm): 4 chemical-shift based assignments, quality = 0.455, support = 1.83, residual support = 4.16: HA2 GLY 30 - HN LYS+ 32 25.000% * 57.4887% (0.41 2.64 7.04) = 57.489% kept HA LYS+ 20 - HN LYS+ 32 25.000% * 23.9081% (0.72 0.62 0.18) = 23.908% kept HA THR 61 - HN LYS+ 32 25.000% * 13.5659% (0.22 1.15 0.55) = 13.566% kept HA THR 39 - HN LYS+ 32 25.000% * 5.0372% (0.34 0.28 0.02) = 5.037% kept Reference assignment not found: HA PRO 31 - HN LYS+ 32 Peak 531 (8.99, 8.82, 121.40 ppm): 2 chemical-shift based assignments, quality = 0.518, support = 1.34, residual support = 1.4: HN ILE 19 - HN LYS+ 32 50.000% * 86.7714% (0.56 1.45 1.57) = 86.771% kept HN MET 97 - HN LYS+ 32 50.000% * 13.2286% (0.22 0.56 0.30) = 13.229% kept Peak 532 (7.31, 8.82, 121.40 ppm): 7 chemical-shift based assignments, quality = 0.627, support = 2.13, residual support = 19.0: QD PHE 34 - HN LYS+ 32 14.286% * 42.5353% (0.86 2.26 22.26) = 42.535% kept * QE PHE 34 - HN LYS+ 32 14.286% * 26.6117% (0.41 2.99 22.26) = 26.612% kept HZ PHE 34 - HN LYS+ 32 14.286% * 15.6497% (0.41 1.76 22.26) = 15.650% kept HZ2 TRP 51 - HN LYS+ 32 14.286% * 8.6555% (0.41 0.97 1.63) = 8.655% kept HN VAL 47 - HN LYS+ 32 14.286% * 5.0448% (0.92 0.25 0.02) = 5.045% kept HN ILE 48 - HN LYS+ 32 14.286% * 1.0930% (0.52 0.10 0.02) = 1.093% kept HN ARG+ 84 - HN LYS+ 32 14.286% * 0.4100% (0.94 0.02 0.02) = 0.410% Peak 535 (0.94, 8.30, 121.53 ppm): 10 chemical-shift based assignments, quality = 0.428, support = 2.04, residual support = 16.2: * QG2 VAL 99 - HN VAL 99 10.000% * 68.5972% (0.36 2.87 23.60) = 68.597% kept QD1 LEU 17 - HN VAL 99 10.000% * 16.4291% (0.76 0.33 0.15) = 16.429% kept QG2 VAL 80 - HN VAL 99 10.000% * 5.9224% (0.39 0.23 0.02) = 5.922% kept HG12 ILE 68 - HN VAL 99 10.000% * 3.2507% (0.55 0.09 0.02) = 3.251% kept QG1 VAL 105 - HN VAL 99 10.000% * 1.0302% (0.77 0.02 0.02) = 1.030% kept QG2 VAL 62 - HN VAL 99 10.000% * 1.0098% (0.76 0.02 1.02) = 1.010% kept QG2 VAL 105 - HN VAL 99 10.000% * 0.9855% (0.74 0.02 0.02) = 0.985% HB2 ARG+ 84 - HN VAL 99 10.000% * 0.9574% (0.72 0.02 0.02) = 0.957% QG2 VAL 73 - HN VAL 99 10.000% * 0.9260% (0.70 0.02 0.02) = 0.926% QG2 ILE 29 - HN VAL 99 10.000% * 0.8917% (0.67 0.02 0.02) = 0.892% Peak 536 (2.16, 8.30, 121.53 ppm): 14 chemical-shift based assignments, quality = 0.315, support = 2.75, residual support = 21.6: * O HB VAL 99 - HN VAL 99 7.143% * 91.3247% (0.31 10.0 2.98 23.60) = 91.325% kept HG2 GLN 102 - HN VAL 99 7.143% * 4.1865% (0.53 1.0 0.53 0.02) = 4.187% kept HB2 ASP- 82 - HN VAL 99 7.143% * 1.6821% (0.50 1.0 0.23 0.02) = 1.682% kept HA1 GLY 58 - HN VAL 99 7.143% * 1.2280% (0.23 1.0 0.35 0.21) = 1.228% kept HG2 PRO 104 - HN VAL 99 7.143% * 0.2412% (0.82 1.0 0.02 0.02) = 0.241% HG3 GLU- 64 - HN VAL 99 7.143% * 0.2389% (0.81 1.0 0.02 0.02) = 0.239% HG2 GLU- 64 - HN VAL 99 7.143% * 0.2229% (0.75 1.0 0.02 0.02) = 0.223% HB VAL 47 - HN VAL 99 7.143% * 0.1948% (0.66 1.0 0.02 0.31) = 0.195% HB3 LYS+ 78 - HN VAL 99 7.143% * 0.1574% (0.53 1.0 0.02 0.02) = 0.157% HB3 PRO 35 - HN VAL 99 7.143% * 0.1367% (0.46 1.0 0.02 0.02) = 0.137% HB3 GLU- 75 - HN VAL 99 7.143% * 0.1234% (0.42 1.0 0.02 0.02) = 0.123% HG2 GLN 16 - HN VAL 99 7.143% * 0.1091% (0.37 1.0 0.02 0.02) = 0.109% HB3 PRO 104 - HN VAL 99 7.143% * 0.1000% (0.34 1.0 0.02 0.02) = 0.100% HB2 ASP- 28 - HN VAL 99 7.143% * 0.0542% (0.18 1.0 0.02 0.45) = 0.054% Peak 537 (4.92, 8.30, 121.53 ppm): 1 chemical-shift based assignment, quality = 0.247, support = 1.53, residual support = 3.72: HA ILE 101 - HN VAL 99 100.000% *100.0000% (0.25 1.53 3.72) = 100.000% kept Reference assignment not found: HA HIS+ 98 - HN VAL 99 Peak 538 (3.15, 8.30, 121.53 ppm): 7 chemical-shift based assignments, quality = 0.668, support = 2.9, residual support = 10.9: * HB3 HIS+ 98 - HN VAL 99 14.286% * 95.2844% (0.70 3.04 11.44) = 95.284% kept HA1 GLY 58 - HN VAL 99 14.286% * 2.9308% (0.18 0.35 0.21) = 2.931% kept HD2 ARG+ 53 - HN VAL 99 14.286% * 0.6982% (0.77 0.02 0.02) = 0.698% HB3 PHE 34 - HN VAL 99 14.286% * 0.4388% (0.49 0.02 0.02) = 0.439% HD3 ARG+ 84 - HN VAL 99 14.286% * 0.2233% (0.25 0.02 0.02) = 0.223% HE3 LYS+ 108 - HN VAL 99 14.286% * 0.2233% (0.25 0.02 0.02) = 0.223% HE3 LYS+ 72 - HN VAL 99 14.286% * 0.2012% (0.22 0.02 0.02) = 0.201% Peak 539 (2.89, 8.30, 121.53 ppm): 4 chemical-shift based assignments, quality = 0.292, support = 2.07, residual support = 6.91: * HB2 HIS+ 98 - HN VAL 99 25.000% * 59.6358% (0.18 3.23 11.44) = 59.636% kept HA1 GLY 58 - HN VAL 99 25.000% * 20.8978% (0.57 0.35 0.21) = 20.898% kept HE3 LYS+ 81 - HN VAL 99 25.000% * 14.7379% (0.33 0.43 0.27) = 14.738% kept HB3 ASN 57 - HN VAL 99 25.000% * 4.7286% (0.39 0.12 0.02) = 4.729% kept Peak 540 (1.66, 8.30, 121.53 ppm): 8 chemical-shift based assignments, quality = 0.737, support = 3.12, residual support = 11.1: HB ILE 100 - HN VAL 99 12.500% * 50.8413% (0.81 4.32 20.44) = 50.841% kept HB3 ARG+ 22 - HN VAL 99 12.500% * 24.7697% (0.60 2.84 2.35) = 24.770% kept HB3 MET 97 - HN VAL 99 12.500% * 13.3966% (0.76 1.21 0.79) = 13.397% kept HB3 LYS+ 66 - HN VAL 99 12.500% * 6.1064% (0.82 0.51 0.02) = 6.106% kept HB3 LYS+ 81 - HN VAL 99 12.500% * 4.5607% (0.60 0.52 0.27) = 4.561% kept HG3 ARG+ 84 - HN VAL 99 12.500% * 0.1835% (0.63 0.02 0.02) = 0.183% HD3 LYS+ 55 - HN VAL 99 12.500% * 0.0819% (0.28 0.02 0.02) = 0.082% HG13 ILE 19 - HN VAL 99 12.500% * 0.0599% (0.21 0.02 0.02) = 0.060% Peak 541 (0.58, 8.31, 121.53 ppm): 2 chemical-shift based assignments, quality = 0.61, support = 2.47, residual support = 9.81: QD1 LEU 23 - HN VAL 99 50.000% * 71.7226% (0.69 2.73 12.21) = 71.723% kept QD1 ILE 101 - HN VAL 99 50.000% * 28.2774% (0.41 1.83 3.72) = 28.277% kept Peak 542 (4.98, 8.30, 121.53 ppm): 6 chemical-shift based assignments, quality = 0.264, support = 2.33, residual support = 8.51: O HA HIS+ 98 - HN VAL 99 16.667% * 72.6129% (0.13 10.0 2.74 11.44) = 72.613% kept HA MET 97 - HN VAL 99 16.667% * 25.3564% (0.66 1.0 1.35 0.79) = 25.356% kept HA ILE 68 - HN VAL 99 16.667% * 1.0976% (0.43 1.0 0.09 0.02) = 1.098% kept HA SER 69 - HN VAL 99 16.667% * 0.4542% (0.79 1.0 0.02 0.02) = 0.454% HA PRO 31 - HN VAL 99 16.667% * 0.2854% (0.50 1.0 0.02 0.02) = 0.285% HA ALA 33 - HN VAL 99 16.667% * 0.1935% (0.34 1.0 0.02 0.02) = 0.193% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 546 (1.61, 8.09, 121.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 547 (8.07, 8.08, 121.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 548 (2.21, 8.08, 121.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 549 (4.22, 8.08, 121.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 550 (1.61, 8.08, 121.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 551 (4.75, 8.08, 121.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 552 (4.45, 8.30, 121.27 ppm): 5 chemical-shift based assignments, quality = 0.282, support = 3.06, residual support = 15.2: * HA ILE 100 - HN VAL 99 20.000% * 74.3078% (0.27 3.90 20.44) = 74.308% kept HA GLN 102 - HN VAL 99 20.000% * 17.3091% (0.27 0.91 0.02) = 17.309% kept HA GLU- 50 - HN VAL 99 20.000% * 4.9390% (0.54 0.13 0.21) = 4.939% kept HB THR 24 - HN VAL 99 20.000% * 3.3068% (0.25 0.19 0.02) = 3.307% kept HA LYS+ 32 - HN VAL 99 20.000% * 0.1373% (0.10 0.02 0.50) = 0.137% Peak 553 (8.30, 8.30, 121.27 ppm): 1 diagonal assignment: * HN VAL 99 - HN VAL 99 (0.42) kept Peak 554 (2.02, 8.22, 121.12 ppm): 22 chemical-shift based assignments, quality = 0.535, support = 1.1, residual support = 1.35: HB2 GLU- 18 - HN VAL 94 4.545% * 40.9056% (0.17 2.48 3.18) = 40.906% kept HB3 GLU- 45 - HN VAL 105 4.545% * 18.6919% (0.80 0.24 0.23) = 18.692% kept HB3 GLU- 107 - HN VAL 105 4.545% * 15.3933% (1.00 0.16 0.02) = 15.393% kept HB3 PRO 31 - HN VAL 105 4.545% * 9.4435% (0.97 0.10 0.02) = 9.443% kept HG2 PRO 86 - HN VAL 94 4.545% * 2.4111% (0.13 0.18 0.02) = 2.411% kept HB3 GLU- 10 - HN VAL 105 4.545% * 1.8228% (0.92 0.02 0.02) = 1.823% kept HB2 GLU- 18 - HN VAL 105 4.545% * 1.7128% (0.87 0.02 0.02) = 1.713% kept HB3 GLU- 54 - HN VAL 105 4.545% * 1.6493% (0.84 0.02 0.02) = 1.649% kept HB2 HIS+ 14 - HN VAL 105 4.545% * 1.5091% (0.76 0.02 0.02) = 1.509% kept HB3 PRO 31 - HN VAL 94 4.545% * 1.4795% (0.19 0.08 0.02) = 1.480% kept HG2 PRO 86 - HN VAL 105 4.545% * 1.3564% (0.69 0.02 0.02) = 1.356% kept HB3 GLU- 75 - HN VAL 105 4.545% * 0.8055% (0.41 0.02 0.02) = 0.806% HG3 PRO 86 - HN VAL 105 4.545% * 0.5490% (0.28 0.02 0.02) = 0.549% HB3 GLU- 107 - HN VAL 94 4.545% * 0.3790% (0.19 0.02 0.02) = 0.379% HB3 GLU- 10 - HN VAL 94 4.545% * 0.3506% (0.18 0.02 0.02) = 0.351% HB3 GLU- 54 - HN VAL 94 4.545% * 0.3173% (0.16 0.02 0.02) = 0.317% HG3 GLU- 64 - HN VAL 105 4.545% * 0.3087% (0.16 0.02 0.02) = 0.309% HB3 GLU- 45 - HN VAL 94 4.545% * 0.3042% (0.15 0.02 0.02) = 0.304% HB2 HIS+ 14 - HN VAL 94 4.545% * 0.2903% (0.15 0.02 0.02) = 0.290% HB3 GLU- 75 - HN VAL 94 4.545% * 0.1550% (0.08 0.02 0.51) = 0.155% HG3 PRO 86 - HN VAL 94 4.545% * 0.1056% (0.05 0.02 0.02) = 0.106% HG3 GLU- 64 - HN VAL 94 4.545% * 0.0594% (0.03 0.02 0.02) = 0.059% Reference assignment not found: HB VAL 105 - HN VAL 105 Peak 555 (4.38, 8.22, 121.12 ppm): 24 chemical-shift based assignments, quality = 0.466, support = 2.92, residual support = 10.1: O HA PRO 104 - HN VAL 105 4.167% * 95.1584% (0.49 10.0 3.00 10.10) = 95.158% kept HA THR 95 - HN VAL 94 4.167% * 2.6345% (0.12 1.0 2.31 20.34) = 2.634% kept HA THR 95 - HN VAL 105 4.167% * 0.4808% (0.61 1.0 0.08 0.02) = 0.481% HA ALA 91 - HN VAL 105 4.167% * 0.1951% (1.00 1.0 0.02 0.02) = 0.195% HA SER 88 - HN VAL 105 4.167% * 0.1887% (0.97 1.0 0.02 0.02) = 0.189% HA SER 27 - HN VAL 105 4.167% * 0.1849% (0.95 1.0 0.02 0.02) = 0.185% HA ALA 37 - HN VAL 105 4.167% * 0.1805% (0.92 1.0 0.02 0.02) = 0.180% HA LYS+ 60 - HN VAL 105 4.167% * 0.1633% (0.84 1.0 0.02 0.13) = 0.163% HA TRP 51 - HN VAL 105 4.167% * 0.1565% (0.80 1.0 0.02 0.02) = 0.157% HA ASN 57 - HN VAL 105 4.167% * 0.1265% (0.65 1.0 0.02 0.02) = 0.126% HB THR 61 - HN VAL 105 4.167% * 0.1107% (0.57 1.0 0.02 0.02) = 0.111% HA2 GLY 26 - HN VAL 105 4.167% * 0.0876% (0.45 1.0 0.02 0.02) = 0.088% HA PRO 86 - HN VAL 105 4.167% * 0.0387% (0.20 1.0 0.02 0.02) = 0.039% HA ALA 91 - HN VAL 94 4.167% * 0.0375% (0.19 1.0 0.02 0.02) = 0.038% HA SER 88 - HN VAL 94 4.167% * 0.0363% (0.19 1.0 0.02 0.02) = 0.036% HA SER 27 - HN VAL 94 4.167% * 0.0356% (0.18 1.0 0.02 0.02) = 0.036% HA ALA 37 - HN VAL 94 4.167% * 0.0347% (0.18 1.0 0.02 0.02) = 0.035% HA LYS+ 60 - HN VAL 94 4.167% * 0.0314% (0.16 1.0 0.02 0.02) = 0.031% HA TRP 51 - HN VAL 94 4.167% * 0.0301% (0.15 1.0 0.02 0.02) = 0.030% HA ASN 57 - HN VAL 94 4.167% * 0.0243% (0.12 1.0 0.02 0.02) = 0.024% HB THR 61 - HN VAL 94 4.167% * 0.0213% (0.11 1.0 0.02 0.02) = 0.021% HA PRO 104 - HN VAL 94 4.167% * 0.0183% (0.09 1.0 0.02 0.02) = 0.018% HA2 GLY 26 - HN VAL 94 4.167% * 0.0169% (0.09 1.0 0.02 0.02) = 0.017% HA PRO 86 - HN VAL 94 4.167% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% Peak 556 (0.89, 8.22, 121.12 ppm): 14 chemical-shift based assignments, quality = 0.747, support = 0.25, residual support = 0.0197: QG1 VAL 80 - HN VAL 105 7.143% * 31.9250% (0.97 0.27 0.02) = 31.925% kept QG1 VAL 47 - HN VAL 105 7.143% * 26.0217% (0.90 0.24 0.02) = 26.022% kept QD1 LEU 67 - HN VAL 105 7.143% * 14.9191% (0.84 0.15 0.02) = 14.919% kept QG1 VAL 80 - HN VAL 94 7.143% * 11.4719% (0.19 0.50 0.02) = 11.472% kept QG2 VAL 40 - HN VAL 94 7.143% * 6.1934% (0.18 0.28 0.02) = 6.193% kept QG2 VAL 40 - HN VAL 105 7.143% * 2.3218% (0.95 0.02 0.02) = 2.322% kept QG2 VAL 87 - HN VAL 105 7.143% * 2.3218% (0.95 0.02 0.02) = 2.322% kept QG2 VAL 80 - HN VAL 105 7.143% * 1.9618% (0.20 0.08 0.02) = 1.962% kept QG2 VAL 80 - HN VAL 94 7.143% * 1.1476% (0.04 0.25 0.02) = 1.148% kept QG2 VAL 87 - HN VAL 94 7.143% * 0.4466% (0.18 0.02 0.02) = 0.447% QG1 VAL 47 - HN VAL 94 7.143% * 0.4234% (0.17 0.02 0.02) = 0.423% QD1 LEU 67 - HN VAL 94 7.143% * 0.3944% (0.16 0.02 0.02) = 0.394% QG2 ILE 100 - HN VAL 105 7.143% * 0.3787% (0.15 0.02 0.02) = 0.379% QG2 ILE 100 - HN VAL 94 7.143% * 0.0728% (0.03 0.02 0.02) = 0.073% Reference assignment not found: QG2 VAL 105 - HN VAL 105 Not enough support, support cutoff is 0.30 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): 28 chemical-shift based assignments, quality = 0.606, support = 2.7, residual support = 9.61: * O HB3 PRO 104 - HN VAL 105 3.571% * 72.3358% (0.49 10.0 2.74 10.10) = 72.336% kept HG2 PRO 104 - HN VAL 105 3.571% * 22.7767% (1.00 1.0 3.07 10.10) = 22.777% kept HB VAL 47 - HN VAL 105 3.571% * 3.6646% (0.73 1.0 0.68 0.02) = 3.665% kept HG3 GLU- 64 - HN VAL 105 3.571% * 0.1450% (0.98 1.0 0.02 0.02) = 0.145% HG2 GLU- 64 - HN VAL 105 3.571% * 0.1379% (0.93 1.0 0.02 0.02) = 0.138% HG2 GLN 102 - HN VAL 105 3.571% * 0.1079% (0.73 1.0 0.02 0.02) = 0.108% HB2 ASP- 82 - HN VAL 105 3.571% * 0.1021% (0.69 1.0 0.02 0.02) = 0.102% HB3 PRO 35 - HN VAL 105 3.571% * 0.0848% (0.57 1.0 0.02 0.02) = 0.085% HB3 LYS+ 78 - HN VAL 105 3.571% * 0.0841% (0.57 1.0 0.02 0.02) = 0.084% HG2 GLN 16 - HN VAL 105 3.571% * 0.0782% (0.53 1.0 0.02 0.02) = 0.078% HB3 GLU- 75 - HN VAL 105 3.571% * 0.0723% (0.49 1.0 0.02 0.02) = 0.072% HB VAL 99 - HN VAL 105 3.571% * 0.0666% (0.45 1.0 0.02 0.02) = 0.067% HA1 GLY 58 - HN VAL 105 3.571% * 0.0428% (0.29 1.0 0.02 0.02) = 0.043% HA1 GLY 58 - HN VAL 94 3.571% * 0.0377% (0.06 1.0 0.09 0.02) = 0.038% HG2 PRO 104 - HN VAL 94 3.571% * 0.0286% (0.19 1.0 0.02 0.02) = 0.029% HG3 GLU- 64 - HN VAL 94 3.571% * 0.0279% (0.19 1.0 0.02 0.02) = 0.028% HG2 GLU- 64 - HN VAL 94 3.571% * 0.0265% (0.18 1.0 0.02 0.02) = 0.027% HB2 ASP- 28 - HN VAL 105 3.571% * 0.0260% (0.18 1.0 0.02 0.02) = 0.026% HG2 GLN 102 - HN VAL 94 3.571% * 0.0208% (0.14 1.0 0.02 0.02) = 0.021% HB VAL 47 - HN VAL 94 3.571% * 0.0208% (0.14 1.0 0.02 0.02) = 0.021% HB2 ASP- 82 - HN VAL 94 3.571% * 0.0196% (0.13 1.0 0.02 0.02) = 0.020% HB3 PRO 35 - HN VAL 94 3.571% * 0.0163% (0.11 1.0 0.02 0.02) = 0.016% HB3 LYS+ 78 - HN VAL 94 3.571% * 0.0162% (0.11 1.0 0.02 0.02) = 0.016% HG2 GLN 16 - HN VAL 94 3.571% * 0.0150% (0.10 1.0 0.02 0.19) = 0.015% HB3 GLU- 75 - HN VAL 94 3.571% * 0.0139% (0.09 1.0 0.02 0.51) = 0.014% HB3 PRO 104 - HN VAL 94 3.571% * 0.0139% (0.09 1.0 0.02 0.02) = 0.014% HB VAL 99 - HN VAL 94 3.571% * 0.0128% (0.09 1.0 0.02 0.02) = 0.013% HB2 ASP- 28 - HN VAL 94 3.571% * 0.0050% (0.03 1.0 0.02 0.02) = 0.005% Peak 559 (1.37, 8.22, 121.12 ppm): 18 chemical-shift based assignments, quality = 0.402, support = 1.19, residual support = 3.5: HB3 LEU 17 - HN VAL 94 5.556% * 29.8452% (0.15 2.99 8.81) = 29.845% kept HG13 ILE 68 - HN VAL 105 5.556% * 24.0923% (0.69 0.52 2.25) = 24.092% kept HB3 LYS+ 20 - HN VAL 94 5.556% * 11.6961% (0.18 0.97 2.45) = 11.696% kept HG3 LYS+ 81 - HN VAL 105 5.556% * 10.5330% (0.65 0.24 0.02) = 10.533% kept QG2 THR 39 - HN VAL 105 5.556% * 4.6586% (0.87 0.08 0.02) = 4.659% kept HG2 LYS+ 78 - HN VAL 94 5.556% * 3.7752% (0.19 0.29 0.02) = 3.775% kept HG3 LYS+ 81 - HN VAL 94 5.556% * 3.2683% (0.12 0.39 0.10) = 3.268% kept QB ALA 11 - HN VAL 94 5.556% * 2.5553% (0.18 0.21 0.02) = 2.555% kept HG2 LYS+ 78 - HN VAL 105 5.556% * 1.3310% (0.98 0.02 0.02) = 1.331% kept QB ALA 11 - HN VAL 105 5.556% * 1.2845% (0.95 0.02 0.02) = 1.284% kept QG2 THR 39 - HN VAL 94 5.556% * 1.2823% (0.17 0.11 0.19) = 1.282% kept HB3 LYS+ 20 - HN VAL 105 5.556% * 1.2535% (0.92 0.02 0.02) = 1.253% kept HD3 LYS+ 20 - HN VAL 94 5.556% * 1.0989% (0.05 0.30 2.45) = 1.099% kept HB3 LEU 17 - HN VAL 105 5.556% * 1.0377% (0.76 0.02 0.02) = 1.038% kept HG3 ARG+ 22 - HN VAL 105 5.556% * 0.8784% (0.65 0.02 0.13) = 0.878% HG13 ILE 68 - HN VAL 94 5.556% * 0.8633% (0.13 0.10 0.02) = 0.863% HD3 LYS+ 20 - HN VAL 105 5.556% * 0.3775% (0.28 0.02 0.02) = 0.378% HG3 ARG+ 22 - HN VAL 94 5.556% * 0.1690% (0.12 0.02 0.02) = 0.169% Peak 560 (4.10, 8.22, 121.12 ppm): 14 chemical-shift based assignments, quality = 0.716, support = 0.527, residual support = 0.281: HA THR 46 - HN VAL 105 7.143% * 53.3584% (0.90 0.62 0.44) = 53.358% kept HB3 SER 49 - HN VAL 105 7.143% * 18.9631% (0.81 0.25 0.02) = 18.963% kept HA LYS+ 63 - HN VAL 94 7.143% * 15.7223% (0.19 0.87 0.25) = 15.722% kept HB3 SER 49 - HN VAL 94 7.143% * 2.8308% (0.16 0.19 0.02) = 2.831% kept HA ALA 70 - HN VAL 105 7.143% * 1.8948% (0.99 0.02 0.02) = 1.895% kept HA LYS+ 63 - HN VAL 105 7.143% * 1.8738% (0.98 0.02 0.02) = 1.874% kept HA THR 24 - HN VAL 105 7.143% * 1.3882% (0.73 0.02 0.02) = 1.388% kept HA THR 46 - HN VAL 94 7.143% * 1.2723% (0.17 0.08 0.02) = 1.272% kept HD2 PRO 59 - HN VAL 94 7.143% * 1.0963% (0.03 0.34 0.02) = 1.096% kept HA ARG+ 53 - HN VAL 105 7.143% * 0.5315% (0.28 0.02 0.02) = 0.532% HA ALA 70 - HN VAL 94 7.143% * 0.3645% (0.19 0.02 0.02) = 0.364% HD2 PRO 59 - HN VAL 105 7.143% * 0.3348% (0.18 0.02 0.02) = 0.335% HA THR 24 - HN VAL 94 7.143% * 0.2670% (0.14 0.02 0.02) = 0.267% HA ARG+ 53 - HN VAL 94 7.143% * 0.1022% (0.05 0.02 0.02) = 0.102% Reference assignment not found: HA VAL 105 - HN VAL 105 Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 561 (4.20, 8.06, 121.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 562 (1.95, 8.06, 121.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 563 (8.06, 8.06, 121.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 564 (0.82, 8.06, 121.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 565 (4.00, 8.06, 121.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 569 (0.90, 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 = 2.96, residual support = 8.81: * T HN TYR 83 - HN ARG+ 84 50.000% * 99.9603% (0.94 10.00 2.96 8.81) = 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): 9 chemical-shift based assignments, quality = 0.712, support = 1.32, residual support = 1.35: HB3 GLU- 18 - HN ARG+ 84 11.111% * 50.9275% (0.90 1.43 1.52) = 50.928% kept HB2 LEU 17 - HN ARG+ 84 11.111% * 32.1967% (0.65 1.26 1.35) = 32.197% kept HB ILE 48 - HN ARG+ 84 11.111% * 12.6250% (0.22 1.43 1.16) = 12.625% kept HG3 ARG+ 53 - HN ARG+ 84 11.111% * 2.9964% (0.65 0.12 0.02) = 2.996% kept HG3 LYS+ 63 - HN ARG+ 84 11.111% * 0.3853% (0.49 0.02 0.02) = 0.385% HG2 PRO 31 - HN ARG+ 84 11.111% * 0.3549% (0.45 0.02 0.02) = 0.355% HB3 LEU 23 - HN ARG+ 84 11.111% * 0.2700% (0.34 0.02 0.02) = 0.270% HB3 LYS+ 108 - HN ARG+ 84 11.111% * 0.1221% (0.15 0.02 0.02) = 0.122% HB3 LYS+ 63 - HN ARG+ 84 11.111% * 0.1221% (0.15 0.02 0.02) = 0.122% Reference assignment not found: HB2 ARG+ 84 - HN ARG+ 84 Peak 573 (4.27, 7.32, 121.07 ppm): 17 chemical-shift based assignments, quality = 0.971, support = 1.85, residual support = 9.16: * O HA ARG+ 84 - HN ARG+ 84 5.882% * 91.6360% (0.98 10.0 1.95 9.90) = 91.636% kept HA SER 85 - HN ARG+ 84 5.882% * 4.3762% (0.98 1.0 0.93 1.96) = 4.376% kept HA PRO 52 - HN ARG+ 84 5.882% * 3.1518% (0.98 1.0 0.67 0.10) = 3.152% kept HA VAL 65 - HN ARG+ 84 5.882% * 0.0955% (1.00 1.0 0.02 0.02) = 0.095% HD3 PRO 59 - HN ARG+ 84 5.882% * 0.0938% (0.98 1.0 0.02 0.14) = 0.094% HA VAL 94 - HN ARG+ 84 5.882% * 0.0924% (0.96 1.0 0.02 0.02) = 0.092% HA GLU- 64 - HN ARG+ 84 5.882% * 0.0858% (0.90 1.0 0.02 0.02) = 0.086% HA GLU- 75 - HN ARG+ 84 5.882% * 0.0830% (0.87 1.0 0.02 0.02) = 0.083% HA LEU 90 - HN ARG+ 84 5.882% * 0.0731% (0.76 1.0 0.02 0.02) = 0.073% HA GLU- 56 - HN ARG+ 84 5.882% * 0.0580% (0.61 1.0 0.02 0.02) = 0.058% HA GLU- 107 - HN ARG+ 84 5.882% * 0.0542% (0.57 1.0 0.02 0.02) = 0.054% HA ASN 76 - HN ARG+ 84 5.882% * 0.0504% (0.53 1.0 0.02 0.02) = 0.050% HA ALA 11 - HN ARG+ 84 5.882% * 0.0429% (0.45 1.0 0.02 0.02) = 0.043% HA THR 106 - HN ARG+ 84 5.882% * 0.0429% (0.45 1.0 0.02 0.02) = 0.043% HA PRO 59 - HN ARG+ 84 5.882% * 0.0239% (0.25 1.0 0.02 0.14) = 0.024% HA ASP- 36 - HN ARG+ 84 5.882% * 0.0213% (0.22 1.0 0.02 0.02) = 0.021% HB3 SER 49 - HN ARG+ 84 5.882% * 0.0187% (0.20 1.0 0.02 0.02) = 0.019% Peak 574 (1.87, 7.32, 121.07 ppm): 7 chemical-shift based assignments, quality = 0.292, support = 0.83, residual support = 0.909: HG2 GLU- 18 - HN ARG+ 84 14.286% * 45.5112% (0.25 0.96 1.52) = 45.511% kept HB3 GLN 16 - HN ARG+ 84 14.286% * 43.2680% (0.25 0.91 0.50) = 43.268% kept HB VAL 94 - HN ARG+ 84 14.286% * 3.3147% (0.87 0.02 0.02) = 3.315% kept HB2 PRO 104 - HN ARG+ 84 14.286% * 2.4720% (0.65 0.02 0.02) = 2.472% kept HB3 LYS+ 72 - HN ARG+ 84 14.286% * 2.3177% (0.61 0.02 0.02) = 2.318% kept HB3 LYS+ 60 - HN ARG+ 84 14.286% * 2.1635% (0.57 0.02 0.02) = 2.163% kept HB2 LYS+ 66 - HN ARG+ 84 14.286% * 0.9529% (0.25 0.02 0.02) = 0.953% Reference assignment not found: HB3 ARG+ 84 - HN ARG+ 84 Peak 575 (1.66, 7.32, 121.07 ppm): 9 chemical-shift based assignments, quality = 0.646, support = 1.41, residual support = 4.94: * HG3 ARG+ 84 - HN ARG+ 84 11.111% * 48.6777% (0.61 2.20 9.90) = 48.678% kept HB3 LYS+ 81 - HN ARG+ 84 11.111% * 21.4405% (0.57 1.04 0.56) = 21.441% kept HB3 LYS+ 66 - HN ARG+ 84 11.111% * 16.0394% (0.92 0.48 0.02) = 16.039% kept HB3 ARG+ 22 - HN ARG+ 84 11.111% * 8.8960% (0.87 0.28 0.02) = 8.896% kept HG LEU 23 - HN ARG+ 84 11.111% * 1.6324% (0.15 0.29 0.02) = 1.632% kept HG13 ILE 19 - HN ARG+ 84 11.111% * 1.4543% (0.15 0.26 0.02) = 1.454% kept HB ILE 100 - HN ARG+ 84 11.111% * 0.6529% (0.90 0.02 0.02) = 0.653% HD3 LYS+ 55 - HN ARG+ 84 11.111% * 0.6239% (0.22 0.08 0.02) = 0.624% HB3 MET 97 - HN ARG+ 84 11.111% * 0.5830% (0.80 0.02 0.02) = 0.583% Peak 576 (4.65, 7.32, 121.07 ppm): 2 chemical-shift based assignments, quality = 0.341, support = 2.02, residual support = 8.8: * O HA TYR 83 - HN ARG+ 84 50.000% * 99.9487% (0.34 10.0 2.03 8.81) = 99.949% kept HA ASN 89 - HN ARG+ 84 50.000% * 0.0513% (0.17 1.0 0.02 0.02) = 0.051% Peak 577 (3.68, 7.32, 121.07 ppm): 4 chemical-shift based assignments, quality = 0.581, support = 0.54, residual support = 0.248: HD2 PRO 52 - HN ARG+ 84 25.000% * 43.9883% (0.90 0.41 0.10) = 43.988% kept * HA LYS+ 81 - HN ARG+ 84 25.000% * 34.0716% (0.34 0.84 0.56) = 34.072% kept HB2 TRP 51 - HN ARG+ 84 25.000% * 14.2982% (0.41 0.29 0.02) = 14.298% kept HB3 SER 69 - HN ARG+ 84 25.000% * 7.6419% (0.15 0.42 0.12) = 7.642% kept Not enough total support, support cutoff is 0.60 Peak unassigned. 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 579 (4.75, 8.42, 120.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 580 (2.75, 8.45, 120.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 581 (4.75, 8.45, 120.81 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): 17 chemical-shift based assignments, quality = 0.993, support = 1.53, residual support = 4.74: O HA SER 85 - HN SER 85 5.882% * 58.7367% (1.00 10.0 1.77 6.71) = 58.737% kept * O HA ARG+ 84 - HN SER 85 5.882% * 40.6424% (1.00 10.0 1.22 1.96) = 40.642% kept HD3 PRO 59 - HN SER 85 5.882% * 0.0665% (1.00 1.0 0.02 0.02) = 0.066% HA PRO 52 - HN SER 85 5.882% * 0.0665% (1.00 1.0 0.02 0.02) = 0.066% HA VAL 94 - HN SER 85 5.882% * 0.0663% (1.00 1.0 0.02 0.02) = 0.066% HA VAL 65 - HN SER 85 5.882% * 0.0659% (0.99 1.0 0.02 0.02) = 0.066% HA LEU 90 - HN SER 85 5.882% * 0.0577% (0.87 1.0 0.02 0.02) = 0.058% HA GLU- 64 - HN SER 85 5.882% * 0.0532% (0.80 1.0 0.02 0.02) = 0.053% HA GLU- 75 - HN SER 85 5.882% * 0.0508% (0.76 1.0 0.02 0.13) = 0.051% HA THR 106 - HN SER 85 5.882% * 0.0376% (0.57 1.0 0.02 0.02) = 0.038% HA GLU- 56 - HN SER 85 5.882% * 0.0324% (0.49 1.0 0.02 0.02) = 0.032% HA GLU- 107 - HN SER 85 5.882% * 0.0298% (0.45 1.0 0.02 0.02) = 0.030% HA ASN 76 - HN SER 85 5.882% * 0.0273% (0.41 1.0 0.02 0.02) = 0.027% HA ALA 11 - HN SER 85 5.882% * 0.0227% (0.34 1.0 0.02 0.02) = 0.023% HA ASP- 36 - HN SER 85 5.882% * 0.0205% (0.31 1.0 0.02 0.02) = 0.021% HB3 SER 49 - HN SER 85 5.882% * 0.0120% (0.18 1.0 0.02 0.02) = 0.012% HA PRO 59 - HN SER 85 5.882% * 0.0116% (0.17 1.0 0.02 0.02) = 0.012% Peak 584 (3.85, 8.63, 120.72 ppm): 7 chemical-shift based assignments, quality = 0.76, support = 2.45, residual support = 6.69: * O HB2 SER 85 - HN SER 85 14.286% * 99.6227% (0.76 10.0 2.46 6.71) = 99.623% kept HB3 SER 88 - HN SER 85 14.286% * 0.1044% (0.80 1.0 0.02 0.02) = 0.104% HB3 SER 77 - HN SER 85 14.286% * 0.0947% (0.73 1.0 0.02 0.02) = 0.095% HB3 SER 27 - HN SER 85 14.286% * 0.0635% (0.49 1.0 0.02 0.02) = 0.063% HA GLU- 45 - HN SER 85 14.286% * 0.0584% (0.45 1.0 0.02 0.02) = 0.058% HA2 GLY 92 - HN SER 85 14.286% * 0.0362% (0.28 1.0 0.02 0.02) = 0.036% HD3 PRO 35 - HN SER 85 14.286% * 0.0201% (0.15 1.0 0.02 0.02) = 0.020% Peak 585 (4.84, 8.63, 120.72 ppm): 2 chemical-shift based assignments, quality = 0.485, support = 2.03, residual support = 2.58: HB THR 39 - HN SER 85 50.000% * 51.9862% (0.41 2.42 2.37) = 51.986% kept HA THR 96 - HN SER 85 50.000% * 48.0138% (0.57 1.62 2.81) = 48.014% kept Peak 586 (4.04, 8.63, 120.72 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 2.24, residual support = 6.7: * O HB3 SER 85 - HN SER 85 20.000% * 99.8364% (1.00 10.0 2.25 6.71) = 99.836% kept HB THR 38 - HN SER 85 20.000% * 0.0686% (0.69 1.0 0.02 0.02) = 0.069% HB2 SER 49 - HN SER 85 20.000% * 0.0448% (0.45 1.0 0.02 0.02) = 0.045% HB3 SER 49 - HN SER 85 20.000% * 0.0305% (0.30 1.0 0.02 0.02) = 0.030% HA VAL 13 - HN SER 85 20.000% * 0.0198% (0.20 1.0 0.02 0.02) = 0.020% Peak 587 (1.75, 8.63, 120.72 ppm): 5 chemical-shift based assignments, quality = 0.786, support = 1.02, residual support = 0.761: HB2 LEU 17 - HN SER 85 20.000% * 51.5374% (1.00 1.09 0.54) = 51.537% kept HB3 GLU- 18 - HN SER 85 20.000% * 23.1269% (0.34 1.43 0.74) = 23.127% kept HB ILE 48 - HN SER 85 20.000% * 20.7847% (0.76 0.57 1.50) = 20.785% kept HB3 LEU 23 - HN SER 85 20.000% * 3.8997% (0.90 0.09 0.02) = 3.900% kept HG3 ARG+ 53 - HN SER 85 20.000% * 0.6513% (0.15 0.09 0.02) = 0.651% Reference assignment not found: HB2 ARG+ 84 - HN SER 85 Peak 588 (1.89, 8.63, 120.72 ppm): 5 chemical-shift based assignments, quality = 0.977, support = 1.11, residual support = 0.859: HB3 GLN 16 - HN SER 85 20.000% * 58.6198% (0.99 1.29 0.96) = 58.620% kept HG2 GLU- 18 - HN SER 85 20.000% * 40.0477% (0.99 0.88 0.74) = 40.048% kept HB3 ARG+ 53 - HN SER 85 20.000% * 0.6662% (0.73 0.02 0.02) = 0.666% HB3 GLN 102 - HN SER 85 20.000% * 0.4113% (0.45 0.02 0.02) = 0.411% HD3 LYS+ 63 - HN SER 85 20.000% * 0.2551% (0.28 0.02 0.02) = 0.255% Reference assignment not found: HB3 ARG+ 84 - HN SER 85 Peak 589 (4.70, 8.63, 120.72 ppm): 8 chemical-shift based assignments, quality = 0.84, support = 0.603, residual support = 1.26: HA GLN 16 - HN SER 85 12.500% * 56.0796% (1.00 0.70 0.96) = 56.080% kept HA THR 39 - HN SER 85 12.500% * 30.4528% (0.76 0.50 2.37) = 30.453% kept HA TYR 83 - HN SER 85 12.500% * 8.2788% (0.15 0.67 0.02) = 8.279% kept HA VAL 99 - HN SER 85 12.500% * 1.5660% (0.98 0.02 0.02) = 1.566% kept HA THR 61 - HN SER 85 12.500% * 1.4328% (0.90 0.02 0.02) = 1.433% kept HA2 GLY 30 - HN SER 85 12.500% * 1.0974% (0.69 0.02 0.02) = 1.097% kept HA LYS+ 20 - HN SER 85 12.500% * 0.5996% (0.37 0.02 0.02) = 0.600% HA ASN 89 - HN SER 85 12.500% * 0.4931% (0.31 0.02 0.02) = 0.493% Peak 590 (1.58, 7.98, 120.59 ppm): 9 chemical-shift based assignments, quality = 0.36, support = 2.91, residual support = 10.9: QB ALA 42 - HN LEU 43 11.111% * 60.2902% (0.25 4.52 18.07) = 60.290% kept HD3 LYS+ 60 - HN LEU 43 11.111% * 21.8094% (0.56 0.72 0.13) = 21.809% kept HD3 LYS+ 81 - HN LEU 43 11.111% * 5.5428% (0.48 0.21 0.11) = 5.543% kept HB3 LYS+ 32 - HN LEU 43 11.111% * 4.4769% (0.94 0.09 0.02) = 4.477% kept HB3 LEU 90 - HN LEU 43 11.111% * 3.8830% (0.20 0.37 0.02) = 3.883% kept HD3 LYS+ 32 - HN LEU 43 11.111% * 2.3036% (0.48 0.09 0.02) = 2.304% kept HB ILE 19 - HN LEU 43 11.111% * 0.7351% (0.68 0.02 0.10) = 0.735% HG LEU 17 - HN LEU 43 11.111% * 0.6922% (0.64 0.02 0.02) = 0.692% HG12 ILE 29 - HN LEU 43 11.111% * 0.2668% (0.25 0.02 0.02) = 0.267% Peak 591 (-0.12, 7.97, 120.59 ppm): 1 chemical-shift based assignment, quality = 0.606, support = 7.11, residual support = 148.2: * QD1 LEU 43 - HN LEU 43 100.000% *100.0000% (0.61 7.11 148.16) = 100.000% kept Peak 592 (2.09, 7.97, 120.59 ppm): 11 chemical-shift based assignments, quality = 0.497, support = 6.14, residual support = 135.1: * O HB3 LEU 43 - HN LEU 43 9.091% * 91.2029% (0.50 10.0 6.69 148.16) = 91.203% kept HB3 GLU- 75 - HN LEU 43 9.091% * 2.5688% (0.88 1.0 0.32 0.02) = 2.569% kept HB3 PRO 35 - HN LEU 43 9.091% * 1.8708% (0.25 1.0 0.81 0.02) = 1.871% kept HG3 GLU- 64 - HN LEU 43 9.091% * 1.5404% (0.64 1.0 0.27 0.02) = 1.540% kept HB VAL 62 - HN LEU 43 9.091% * 1.1950% (0.20 1.0 0.67 1.15) = 1.195% kept HA1 GLY 58 - HN LEU 43 9.091% * 1.0274% (0.17 1.0 0.66 0.02) = 1.027% kept HB ILE 101 - HN LEU 43 9.091% * 0.3080% (0.27 1.0 0.12 0.02) = 0.308% HB VAL 65 - HN LEU 43 9.091% * 0.1524% (0.83 1.0 0.02 0.02) = 0.152% HB VAL 87 - HN LEU 43 9.091% * 0.0549% (0.30 1.0 0.02 0.02) = 0.055% HG2 GLU- 64 - HN LEU 43 9.091% * 0.0545% (0.30 1.0 0.02 0.02) = 0.054% HB VAL 105 - HN LEU 43 9.091% * 0.0249% (0.14 1.0 0.02 0.02) = 0.025% Peak 593 (1.43, 7.97, 120.59 ppm): 12 chemical-shift based assignments, quality = 0.667, support = 2.77, residual support = 9.38: HD3 LYS+ 44 - HN LEU 43 8.333% * 61.2808% (0.64 3.85 14.75) = 61.281% kept QG2 THR 38 - HN LEU 43 8.333% * 27.6159% (0.79 1.41 1.21) = 27.616% kept HG LEU 90 - HN LEU 43 8.333% * 3.5458% (0.83 0.17 0.02) = 3.546% kept HG3 LYS+ 60 - HN LEU 43 8.333% * 2.5798% (0.33 0.31 0.13) = 2.580% kept QB ALA 91 - HN LEU 43 8.333% * 1.6550% (0.74 0.09 0.02) = 1.655% kept HG13 ILE 48 - HN LEU 43 8.333% * 1.3020% (0.20 0.27 0.12) = 1.302% kept QB ALA 37 - HN LEU 43 8.333% * 1.2149% (0.27 0.18 0.02) = 1.215% kept HG3 LYS+ 55 - HN LEU 43 8.333% * 0.4294% (0.87 0.02 0.02) = 0.429% HG2 PRO 59 - HN LEU 43 8.333% * 0.1644% (0.33 0.02 0.02) = 0.164% HG LEU 67 - HN LEU 43 8.333% * 0.0767% (0.15 0.02 4.82) = 0.077% HG13 ILE 100 - HN LEU 43 8.333% * 0.0676% (0.14 0.02 0.02) = 0.068% QB ALA 93 - HN LEU 43 8.333% * 0.0676% (0.14 0.02 0.02) = 0.068% Reference assignment not found: QB ALA 42 - HN LEU 43 Peak 594 (3.70, 7.97, 120.59 ppm): 4 chemical-shift based assignments, quality = 0.778, support = 1.07, residual support = 1.71: HB3 SER 69 - HN LEU 43 25.000% * 86.6895% (0.77 1.22 1.96) = 86.689% kept HA LYS+ 81 - HN LEU 43 25.000% * 10.6131% (0.88 0.13 0.11) = 10.613% kept HB2 TRP 51 - HN LEU 43 25.000% * 1.6364% (0.88 0.02 0.02) = 1.636% kept HD2 PRO 52 - HN LEU 43 25.000% * 1.0610% (0.57 0.02 0.02) = 1.061% kept Peak 595 (3.43, 7.97, 120.59 ppm): 5 chemical-shift based assignments, quality = 0.513, support = 1.84, residual support = 2.96: HA VAL 62 - HN LEU 43 20.000% * 28.7740% (0.79 1.22 1.15) = 28.774% kept HA VAL 80 - HN LEU 43 20.000% * 27.3993% (0.36 2.53 5.12) = 27.399% kept HA VAL 40 - HN LEU 43 20.000% * 24.6816% (0.40 2.09 2.79) = 24.682% kept HD3 PRO 31 - HN LEU 43 20.000% * 10.9438% (0.15 2.37 4.84) = 10.944% kept HA ILE 48 - HN LEU 43 20.000% * 8.2013% (0.87 0.31 0.12) = 8.201% kept Peak 596 (0.47, 7.97, 120.59 ppm): 2 chemical-shift based assignments, quality = 0.789, support = 5.49, residual support = 147.7: * QD2 LEU 43 - HN LEU 43 50.000% * 99.6916% (0.79 5.51 148.16) = 99.692% kept QD2 LEU 74 - HN LEU 43 50.000% * 0.3084% (0.67 0.02 0.02) = 0.308% Peak 597 (7.74, 7.97, 120.59 ppm): 2 chemical-shift based assignments, quality = 0.669, support = 4.5, residual support = 17.9: * T HN ALA 42 - HN LEU 43 50.000% * 99.2258% (0.67 10.00 4.53 18.07) = 99.226% kept HN ALA 37 - HN LEU 43 50.000% * 0.7742% (0.54 1.00 0.20 0.02) = 0.774% 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 = 0.404, support = 3.03, residual support = 19.4: * O HB3 GLN 16 - HN GLN 16 4.167% * 94.1312% (0.40 10.0 3.21 20.58) = 94.131% kept HG2 GLU- 18 - HN GLU- 12 4.167% * 1.7533% (0.70 1.0 0.21 0.02) = 1.753% kept HG2 GLU- 18 - HN GLN 16 4.167% * 1.2595% (0.40 1.0 0.27 1.38) = 1.260% kept HB3 GLN 16 - HN GLU- 12 4.167% * 1.0123% (0.70 1.0 0.12 0.02) = 1.012% kept HB3 ARG+ 53 - HN GLU- 12 4.167% * 0.2244% (0.96 1.0 0.02 0.02) = 0.224% HB3 GLN 102 - HN GLU- 12 4.167% * 0.2142% (0.92 1.0 0.02 0.02) = 0.214% HD3 LYS+ 63 - HN GLU- 12 4.167% * 0.1813% (0.78 1.0 0.02 0.02) = 0.181% HB3 ARG+ 53 - HN GLN 16 4.167% * 0.1285% (0.55 1.0 0.02 0.02) = 0.128% HB3 GLU- 56 - HN GLU- 12 4.167% * 0.1282% (0.55 1.0 0.02 0.02) = 0.128% HB3 GLN 102 - HN GLN 16 4.167% * 0.1226% (0.52 1.0 0.02 0.17) = 0.123% HB2 LEU 23 - HN GLU- 12 4.167% * 0.1191% (0.51 1.0 0.02 0.02) = 0.119% HD3 LYS+ 63 - HN GLN 16 4.167% * 0.1038% (0.44 1.0 0.02 0.02) = 0.104% HB ILE 29 - HN GLU- 12 4.167% * 0.0772% (0.33 1.0 0.02 0.02) = 0.077% HB3 GLU- 56 - HN GLN 16 4.167% * 0.0734% (0.31 1.0 0.02 0.02) = 0.073% HB2 LEU 23 - HN GLN 16 4.167% * 0.0682% (0.29 1.0 0.02 0.92) = 0.068% HB3 ARG+ 53 - HN ASN 89 4.167% * 0.0632% (0.27 1.0 0.02 0.02) = 0.063% HB3 GLN 102 - HN ASN 89 4.167% * 0.0603% (0.26 1.0 0.02 0.02) = 0.060% HD3 LYS+ 63 - HN ASN 89 4.167% * 0.0510% (0.22 1.0 0.02 0.02) = 0.051% HB3 GLN 16 - HN ASN 89 4.167% * 0.0463% (0.20 1.0 0.02 0.02) = 0.046% HG2 GLU- 18 - HN ASN 89 4.167% * 0.0463% (0.20 1.0 0.02 0.02) = 0.046% HB ILE 29 - HN GLN 16 4.167% * 0.0442% (0.19 1.0 0.02 0.02) = 0.044% HB3 GLU- 56 - HN ASN 89 4.167% * 0.0361% (0.15 1.0 0.02 0.02) = 0.036% HB2 LEU 23 - HN ASN 89 4.167% * 0.0335% (0.14 1.0 0.02 0.02) = 0.034% HB ILE 29 - HN ASN 89 4.167% * 0.0217% (0.09 1.0 0.02 0.02) = 0.022% Peak 610 (4.22, 8.24, 120.21 ppm): 30 chemical-shift based assignments, quality = 0.943, support = 0.953, residual support = 0.76: O HA GLU- 12 - HN GLU- 12 3.333% * 91.1864% (1.00 10.0 1.00 0.83) = 91.186% kept HA GLU- 12 - HN GLN 16 3.333% * 2.3927% (0.39 1.0 0.67 0.02) = 2.393% kept HA GLU- 10 - HN GLU- 12 3.333% * 2.3709% (0.41 1.0 0.63 0.02) = 2.371% kept HA ASP- 82 - HN GLU- 12 3.333% * 1.8321% (0.72 1.0 0.28 0.02) = 1.832% kept HA ASP- 82 - HN GLN 16 3.333% * 1.1101% (0.28 1.0 0.43 0.02) = 1.110% kept HA GLU- 18 - HN GLU- 12 3.333% * 0.1324% (0.72 1.0 0.02 0.02) = 0.132% HA SER 49 - HN GLU- 12 3.333% * 0.1253% (0.68 1.0 0.02 0.02) = 0.125% HA ALA 42 - HN GLU- 12 3.333% * 0.1106% (0.60 1.0 0.02 0.02) = 0.111% HB3 SER 49 - HN GLU- 12 3.333% * 0.1065% (0.58 1.0 0.02 0.02) = 0.107% HA GLU- 54 - HN GLU- 12 3.333% * 0.0750% (0.41 1.0 0.02 0.02) = 0.075% HA LYS+ 108 - HN GLU- 12 3.333% * 0.0750% (0.41 1.0 0.02 0.02) = 0.075% HA GLU- 18 - HN GLN 16 3.333% * 0.0516% (0.28 1.0 0.02 1.38) = 0.052% HA SER 49 - HN GLN 16 3.333% * 0.0488% (0.27 1.0 0.02 0.02) = 0.049% HA ALA 42 - HN GLN 16 3.333% * 0.0431% (0.24 1.0 0.02 0.02) = 0.043% HB3 SER 49 - HN GLN 16 3.333% * 0.0415% (0.23 1.0 0.02 0.02) = 0.041% HA PRO 59 - HN GLU- 12 3.333% * 0.0361% (0.20 1.0 0.02 0.02) = 0.036% HA LYS+ 108 - HN GLN 16 3.333% * 0.0292% (0.16 1.0 0.02 0.02) = 0.029% HA GLU- 54 - HN GLN 16 3.333% * 0.0292% (0.16 1.0 0.02 0.02) = 0.029% HA GLU- 10 - HN GLN 16 3.333% * 0.0292% (0.16 1.0 0.02 0.02) = 0.029% HA GLU- 12 - HN ASN 89 3.333% * 0.0278% (0.15 1.0 0.02 0.02) = 0.028% HA ASP- 82 - HN ASN 89 3.333% * 0.0202% (0.11 1.0 0.02 0.02) = 0.020% HA GLU- 18 - HN ASN 89 3.333% * 0.0202% (0.11 1.0 0.02 0.02) = 0.020% HA SER 49 - HN ASN 89 3.333% * 0.0191% (0.10 1.0 0.02 0.02) = 0.019% HA ALA 42 - HN ASN 89 3.333% * 0.0169% (0.09 1.0 0.02 0.02) = 0.017% HB3 SER 49 - HN ASN 89 3.333% * 0.0162% (0.09 1.0 0.02 0.02) = 0.016% HA PRO 59 - HN GLN 16 3.333% * 0.0141% (0.08 1.0 0.02 0.02) = 0.014% HA GLU- 10 - HN ASN 89 3.333% * 0.0114% (0.06 1.0 0.02 0.02) = 0.011% HA LYS+ 108 - HN ASN 89 3.333% * 0.0114% (0.06 1.0 0.02 0.02) = 0.011% HA GLU- 54 - HN ASN 89 3.333% * 0.0114% (0.06 1.0 0.02 0.02) = 0.011% HA PRO 59 - HN ASN 89 3.333% * 0.0055% (0.03 1.0 0.02 0.02) = 0.006% Reference assignment not found: HA ALA 11 - HN GLU- 12 Peak 611 (8.24, 8.25, 120.21 ppm): 2 diagonal assignments: * HN GLU- 12 - HN GLU- 12 (0.96) kept HN GLN 16 - HN GLN 16 (0.23) kept Peak 612 (1.34, 8.24, 120.21 ppm): 18 chemical-shift based assignments, quality = 0.211, support = 1.67, residual support = 8.61: HB3 LEU 17 - HN GLN 16 5.556% * 37.8473% (0.13 2.94 21.02) = 37.847% kept * QB ALA 11 - HN GLU- 12 5.556% * 28.7330% (0.17 1.69 2.26) = 28.733% kept HG3 LYS+ 81 - HN GLU- 12 5.556% * 10.2839% (0.45 0.24 0.02) = 10.284% kept HG3 LYS+ 81 - HN GLN 16 5.556% * 7.0914% (0.17 0.42 0.02) = 7.091% kept HG3 ARG+ 22 - HN GLU- 12 5.556% * 5.7425% (0.45 0.13 0.02) = 5.743% kept QG2 THR 46 - HN GLU- 12 5.556% * 4.9606% (0.34 0.15 0.02) = 4.961% kept HB3 LEU 17 - HN GLU- 12 5.556% * 2.9972% (0.34 0.09 0.02) = 2.997% kept HG3 LYS+ 81 - HN ASN 89 5.556% * 0.6383% (0.07 0.10 0.02) = 0.638% HB3 LYS+ 20 - HN GLU- 12 5.556% * 0.3836% (0.20 0.02 0.02) = 0.384% HG3 ARG+ 22 - HN GLN 16 5.556% * 0.3385% (0.17 0.02 0.02) = 0.339% QG2 THR 46 - HN GLN 16 5.556% * 0.2576% (0.13 0.02 0.02) = 0.258% HB3 LYS+ 20 - HN GLN 16 5.556% * 0.1494% (0.08 0.02 0.11) = 0.149% HG3 ARG+ 22 - HN ASN 89 5.556% * 0.1326% (0.07 0.02 0.02) = 0.133% QB ALA 11 - HN GLN 16 5.556% * 0.1322% (0.07 0.02 0.02) = 0.132% QG2 THR 46 - HN ASN 89 5.556% * 0.1009% (0.05 0.02 0.02) = 0.101% HB3 LEU 17 - HN ASN 89 5.556% * 0.1009% (0.05 0.02 0.02) = 0.101% HB3 LYS+ 20 - HN ASN 89 5.556% * 0.0585% (0.03 0.02 0.02) = 0.059% QB ALA 11 - HN ASN 89 5.556% * 0.0518% (0.03 0.02 0.02) = 0.052% Peak 613 (2.20, 8.25, 120.21 ppm): 48 chemical-shift based assignments, quality = 0.423, support = 2.68, residual support = 15.0: HG3 GLN 16 - HN GLN 16 2.083% * 55.9797% (0.54 3.78 20.58) = 55.980% kept * HG2 GLN 16 - HN GLN 16 2.083% * 16.9124% (0.21 2.93 20.58) = 16.912% kept HA1 GLY 58 - HN GLN 16 2.083% * 3.7098% (0.19 0.69 0.02) = 3.710% kept HB2 GLU- 50 - HN GLU- 12 2.083% * 3.6018% (0.51 0.26 0.02) = 3.602% kept HG3 GLN 16 - HN GLU- 12 2.083% * 3.1876% (0.94 0.12 0.02) = 3.188% kept HG3 GLU- 64 - HN GLN 16 2.083% * 2.8779% (0.41 0.25 0.02) = 2.878% kept HB2 ASP- 82 - HN GLU- 12 2.083% * 2.3448% (0.24 0.35 0.02) = 2.345% kept HG3 GLU- 18 - HN GLN 16 2.083% * 1.8198% (0.25 0.26 1.38) = 1.820% kept HA1 GLY 58 - HN ASN 89 2.083% * 1.3980% (0.10 0.53 0.27) = 1.398% kept HA1 GLY 58 - HN GLU- 12 2.083% * 1.3888% (0.34 0.15 0.02) = 1.389% kept HG2 GLN 16 - HN GLU- 12 2.083% * 1.2397% (0.36 0.12 0.02) = 1.240% kept HG2 GLU- 64 - HN GLU- 12 2.083% * 0.5258% (0.95 0.02 0.02) = 0.526% HB3 PRO 35 - HN GLU- 12 2.083% * 0.3965% (0.72 0.02 0.02) = 0.396% HG3 GLU- 64 - HN GLU- 12 2.083% * 0.3960% (0.72 0.02 0.02) = 0.396% HG3 MET 97 - HN GLU- 12 2.083% * 0.3471% (0.63 0.02 0.02) = 0.347% HG2 GLU- 64 - HN GLN 16 2.083% * 0.3010% (0.54 0.02 0.02) = 0.301% HG3 GLU- 18 - HN GLU- 12 2.083% * 0.2405% (0.43 0.02 0.02) = 0.241% HB VAL 99 - HN GLU- 12 2.083% * 0.2405% (0.43 0.02 0.02) = 0.241% HB3 PRO 35 - HN GLN 16 2.083% * 0.2270% (0.41 0.02 0.02) = 0.227% HB3 PRO 104 - HN GLU- 12 2.083% * 0.2206% (0.40 0.02 0.02) = 0.221% HG3 MET 97 - HN GLN 16 2.083% * 0.1987% (0.36 0.02 0.17) = 0.199% HG3 GLN 102 - HN GLU- 12 2.083% * 0.1830% (0.33 0.02 0.02) = 0.183% HB2 GLU- 50 - HN GLN 16 2.083% * 0.1616% (0.29 0.02 0.02) = 0.162% HG2 GLU- 64 - HN ASN 89 2.083% * 0.1480% (0.27 0.02 0.02) = 0.148% HG3 GLN 16 - HN ASN 89 2.083% * 0.1457% (0.26 0.02 0.02) = 0.146% HB VAL 99 - HN GLN 16 2.083% * 0.1377% (0.25 0.02 0.02) = 0.138% HB3 PRO 104 - HN GLN 16 2.083% * 0.1263% (0.23 0.02 0.02) = 0.126% HB3 PRO 52 - HN GLU- 12 2.083% * 0.1195% (0.22 0.02 0.02) = 0.119% HG2 GLN 102 - HN GLU- 12 2.083% * 0.1195% (0.22 0.02 0.02) = 0.119% HB3 PRO 35 - HN ASN 89 2.083% * 0.1116% (0.20 0.02 0.16) = 0.112% HG3 GLU- 64 - HN ASN 89 2.083% * 0.1115% (0.20 0.02 0.02) = 0.111% HG3 GLN 102 - HN GLN 16 2.083% * 0.1048% (0.19 0.02 0.17) = 0.105% HG3 MET 97 - HN ASN 89 2.083% * 0.0977% (0.18 0.02 0.02) = 0.098% HB3 GLU- 75 - HN GLU- 12 2.083% * 0.0950% (0.17 0.02 0.02) = 0.095% HB2 GLU- 50 - HN ASN 89 2.083% * 0.0794% (0.14 0.02 0.02) = 0.079% HB2 ASP- 82 - HN GLN 16 2.083% * 0.0766% (0.14 0.02 0.02) = 0.077% HB3 PRO 52 - HN GLN 16 2.083% * 0.0684% (0.12 0.02 0.02) = 0.068% HG2 GLN 102 - HN GLN 16 2.083% * 0.0684% (0.12 0.02 0.17) = 0.068% HG3 GLU- 18 - HN ASN 89 2.083% * 0.0677% (0.12 0.02 0.02) = 0.068% HB VAL 99 - HN ASN 89 2.083% * 0.0677% (0.12 0.02 0.02) = 0.068% HB3 PRO 104 - HN ASN 89 2.083% * 0.0621% (0.11 0.02 0.02) = 0.062% HG2 GLN 16 - HN ASN 89 2.083% * 0.0567% (0.10 0.02 0.02) = 0.057% HB3 GLU- 75 - HN GLN 16 2.083% * 0.0544% (0.10 0.02 0.02) = 0.054% HG3 GLN 102 - HN ASN 89 2.083% * 0.0515% (0.09 0.02 0.02) = 0.052% HB2 ASP- 82 - HN ASN 89 2.083% * 0.0377% (0.07 0.02 0.02) = 0.038% HB3 PRO 52 - HN ASN 89 2.083% * 0.0336% (0.06 0.02 0.02) = 0.034% HG2 GLN 102 - HN ASN 89 2.083% * 0.0336% (0.06 0.02 0.02) = 0.034% HB3 GLU- 75 - HN ASN 89 2.083% * 0.0267% (0.05 0.02 0.02) = 0.027% Peak 614 (7.71, 8.24, 120.21 ppm): 6 chemical-shift based assignments, quality = 0.97, support = 0.728, residual support = 0.914: HN VAL 13 - HN GLU- 12 16.667% * 97.0979% (1.00 0.75 0.94) = 97.098% kept HN VAL 13 - HN GLN 16 16.667% * 1.0086% (0.39 0.02 0.02) = 1.009% kept HN ALA 42 - HN GLU- 12 16.667% * 0.9718% (0.37 0.02 0.02) = 0.972% HN VAL 13 - HN ASN 89 16.667% * 0.3950% (0.15 0.02 0.11) = 0.395% HN ALA 42 - HN GLN 16 16.667% * 0.3785% (0.15 0.02 0.02) = 0.379% HN ALA 42 - HN ASN 89 16.667% * 0.1482% (0.06 0.02 0.02) = 0.148% Peak 617 (4.75, 8.48, 120.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 618 (8.25, 8.48, 120.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 3 chemical-shift based assignments, quality = 0.786, support = 1.7, residual support = 3.6: * HN ASN 15 - HN GLN 16 33.333% * 70.7556% (0.88 1.91 4.41) = 70.756% kept HN ASN 15 - HN GLU- 12 33.333% * 28.6638% (0.57 1.20 1.66) = 28.664% kept HN ASN 15 - HN ASN 89 33.333% * 0.5806% (0.69 0.02 0.10) = 0.581% Peak 626 (0.95, 8.74, 120.07 ppm): 10 chemical-shift based assignments, quality = 0.736, support = 3.52, residual support = 19.7: * QG2 VAL 62 - HN VAL 62 10.000% * 74.1370% (0.77 4.46 26.40) = 74.137% kept QG2 VAL 99 - HN VAL 62 10.000% * 12.5988% (0.57 1.03 1.02) = 12.599% kept QG2 ILE 29 - HN VAL 62 10.000% * 11.7590% (0.77 0.71 0.02) = 11.759% kept QG2 VAL 73 - HN VAL 62 10.000% * 0.3350% (0.78 0.02 0.02) = 0.335% QG1 VAL 105 - HN VAL 62 10.000% * 0.2566% (0.60 0.02 0.02) = 0.257% QD1 LEU 17 - HN VAL 62 10.000% * 0.2438% (0.57 0.02 0.02) = 0.244% QG2 VAL 105 - HN VAL 62 10.000% * 0.2307% (0.54 0.02 0.02) = 0.231% HB2 ARG+ 84 - HN VAL 62 10.000% * 0.2172% (0.51 0.02 0.02) = 0.217% HG12 ILE 68 - HN VAL 62 10.000% * 0.1380% (0.32 0.02 0.02) = 0.138% QG2 VAL 80 - HN VAL 62 10.000% * 0.0837% (0.19 0.02 0.02) = 0.084% 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 = 0.493, support = 3.79, residual support = 12.7: * HB THR 61 - HN VAL 62 16.667% * 69.7579% (0.54 4.78 18.05) = 69.758% kept HA LYS+ 60 - HN VAL 62 16.667% * 18.7175% (0.32 2.14 0.40) = 18.717% kept HA2 GLY 26 - HN VAL 62 16.667% * 6.9117% (0.63 0.41 0.02) = 6.912% kept HA TRP 51 - HN VAL 62 16.667% * 4.3638% (0.35 0.46 0.02) = 4.364% kept HA ALA 37 - HN VAL 62 16.667% * 0.1310% (0.24 0.02 0.02) = 0.131% HA SER 27 - HN VAL 62 16.667% * 0.1180% (0.22 0.02 0.02) = 0.118% Peak 629 (2.05, 8.74, 120.07 ppm): 13 chemical-shift based assignments, quality = 0.292, support = 2.61, residual support = 21.5: * O HB VAL 62 - HN VAL 62 7.692% * 81.1697% (0.27 10.0 3.07 26.40) = 81.170% kept HB3 GLU- 75 - HN VAL 62 7.692% * 6.2960% (0.54 1.0 0.76 0.12) = 6.296% kept HB3 PRO 31 - HN VAL 62 7.692% * 3.3895% (0.22 1.0 1.02 0.02) = 3.389% kept HB3 GLU- 45 - HN VAL 62 7.692% * 2.9710% (0.38 1.0 0.51 1.13) = 2.971% kept HB3 GLU- 54 - HN VAL 62 7.692% * 2.1052% (0.35 1.0 0.39 0.02) = 2.105% kept HG3 GLU- 64 - HN VAL 62 7.692% * 2.0160% (0.25 1.0 0.53 3.30) = 2.016% kept HG3 PRO 86 - HN VAL 62 7.692% * 1.3488% (0.75 1.0 0.12 0.02) = 1.349% kept HB ILE 101 - HN VAL 62 7.692% * 0.2818% (0.19 1.0 0.09 0.02) = 0.282% HB2 GLU- 45 - HN VAL 62 7.692% * 0.2332% (0.77 1.0 0.02 1.13) = 0.233% HB3 GLU- 10 - HN VAL 62 7.692% * 0.0812% (0.27 1.0 0.02 0.02) = 0.081% HB3 GLU- 107 - HN VAL 62 7.692% * 0.0367% (0.12 1.0 0.02 0.02) = 0.037% HB3 PRO 35 - HN VAL 62 7.692% * 0.0367% (0.12 1.0 0.02 0.02) = 0.037% HA1 GLY 58 - HN VAL 62 7.692% * 0.0342% (0.11 1.0 0.02 0.02) = 0.034% Peak 630 (4.69, 8.74, 120.07 ppm): 7 chemical-shift based assignments, quality = 0.322, support = 3.21, residual support = 17.3: * O HA THR 61 - HN VAL 62 14.286% * 95.5608% (0.32 10.0 3.34 18.05) = 95.561% kept HA VAL 99 - HN VAL 62 14.286% * 2.8599% (0.44 1.0 0.43 1.02) = 2.860% kept HA THR 39 - HN VAL 62 14.286% * 1.0410% (0.22 1.0 0.32 0.02) = 1.041% kept HA ASN 89 - HN VAL 62 14.286% * 0.1861% (0.63 1.0 0.02 0.02) = 0.186% HA GLN 16 - HN VAL 62 14.286% * 0.1688% (0.57 1.0 0.02 0.02) = 0.169% HA TYR 83 - HN VAL 62 14.286% * 0.1316% (0.44 1.0 0.02 0.02) = 0.132% HA2 GLY 30 - HN VAL 62 14.286% * 0.0518% (0.17 1.0 0.02 0.02) = 0.052% Peak 631 (7.82, 8.74, 120.07 ppm): 3 chemical-shift based assignments, quality = 0.733, support = 5.21, residual support = 17.6: * T HN LYS+ 63 - HN VAL 62 33.333% * 99.2436% (0.74 10.00 5.25 17.73) = 99.244% kept T HN LYS+ 55 - HN VAL 62 33.333% * 0.7207% (0.54 10.00 0.02 0.02) = 0.721% HN ALA 93 - HN VAL 62 33.333% * 0.0358% (0.27 1.00 0.02 0.02) = 0.036% Peak 632 (1.11, 8.74, 120.07 ppm): 4 chemical-shift based assignments, quality = 0.586, support = 4.2, residual support = 15.9: * QG2 THR 61 - HN VAL 62 25.000% * 87.9071% (0.57 4.71 18.05) = 87.907% kept QG2 THR 79 - HN VAL 62 25.000% * 11.8642% (0.74 0.49 0.02) = 11.864% kept HG3 LYS+ 32 - HN VAL 62 25.000% * 0.1144% (0.17 0.02 0.02) = 0.114% QG2 THR 95 - HN VAL 62 25.000% * 0.1144% (0.17 0.02 0.02) = 0.114% Peak 633 (3.43, 8.74, 120.07 ppm): 4 chemical-shift based assignments, quality = 0.624, support = 3.82, residual support = 26.3: * O HA VAL 62 - HN VAL 62 25.000% * 99.7947% (0.63 10.0 3.82 26.40) = 99.795% kept HA ILE 48 - HN VAL 62 25.000% * 0.1244% (0.78 1.0 0.02 4.15) = 0.124% HA VAL 40 - HN VAL 62 25.000% * 0.0425% (0.27 1.0 0.02 0.02) = 0.043% HA VAL 80 - HN VAL 62 25.000% * 0.0385% (0.24 1.0 0.02 0.02) = 0.038% Peak 634 (8.42, 8.43, 120.11 ppm): 1 diagonal assignment: * HN HIS+ 14 - HN HIS+ 14 (0.71) kept Peak 635 (8.02, 8.43, 120.11 ppm): 1 chemical-shift based assignment, quality = 0.715, support = 0.47, residual support = 0.47: HN SER 27 - HN HIS+ 14 100.000% *100.0000% (0.71 0.47 0.47) = 100.000% kept Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 636 (2.76, 8.43, 120.11 ppm): 2 chemical-shift based assignments, quality = 0.728, support = 0.869, residual support = 0.729: HA1 GLY 58 - HN HIS+ 14 50.000% * 90.6774% (0.76 0.94 0.80) = 90.677% kept HE3 LYS+ 20 - HN HIS+ 14 50.000% * 9.3226% (0.43 0.17 0.02) = 9.323% kept Reference assignment not found: HB3 ASN 15 - HN HIS+ 14 Peak 637 (2.79, 8.28, 120.11 ppm): 12 chemical-shift based assignments, quality = 0.331, support = 1.84, residual support = 3.34: * O HB3 ASN 89 - HN ASN 89 8.333% * 80.6237% (0.24 10.0 2.16 4.11) = 80.624% kept HA1 GLY 58 - HN ASN 89 8.333% * 7.5716% (0.87 1.0 0.53 0.27) = 7.572% kept HA1 GLY 58 - HN GLN 16 8.333% * 7.1545% (0.63 1.0 0.69 0.02) = 7.155% kept HE3 LYS+ 32 - HN ASN 89 8.333% * 2.0286% (0.56 1.0 0.22 0.02) = 2.029% kept HA2 GLY 58 - HN ASN 89 8.333% * 1.9021% (0.60 1.0 0.19 0.27) = 1.902% kept HA1 GLY 58 - HN GLU- 12 8.333% * 0.3176% (0.13 1.0 0.15 0.02) = 0.318% HA2 GLY 58 - HN GLN 16 8.333% * 0.1420% (0.43 1.0 0.02 0.02) = 0.142% HE3 LYS+ 32 - HN GLN 16 8.333% * 0.1326% (0.40 1.0 0.02 0.22) = 0.133% HB3 ASN 89 - HN GLN 16 8.333% * 0.0584% (0.18 1.0 0.02 0.02) = 0.058% HA2 GLY 58 - HN GLU- 12 8.333% * 0.0294% (0.09 1.0 0.02 0.02) = 0.029% HE3 LYS+ 32 - HN GLU- 12 8.333% * 0.0275% (0.08 1.0 0.02 0.02) = 0.027% HB3 ASN 89 - HN GLU- 12 8.333% * 0.0121% (0.04 1.0 0.02 0.02) = 0.012% Peak 639 (8.41, 8.42, 119.97 ppm): 1 diagonal assignment: * HN HIS+ 14 - HN HIS+ 14 (0.75) kept Peak 640 (1.79, 8.42, 119.97 ppm): 9 chemical-shift based assignments, quality = 0.769, support = 0.445, residual support = 0.186: HG3 LYS+ 63 - HN HIS+ 14 11.111% * 38.5951% (0.87 0.60 0.25) = 38.595% kept HB3 LYS+ 63 - HN HIS+ 14 11.111% * 21.7050% (0.89 0.33 0.25) = 21.705% kept HB3 GLU- 18 - HN HIS+ 14 11.111% * 21.0252% (0.50 0.57 0.15) = 21.025% kept HB3 LYS+ 108 - HN HIS+ 14 11.111% * 10.2308% (0.89 0.16 0.02) = 10.231% kept HB3 ARG+ 84 - HN HIS+ 14 11.111% * 3.9874% (0.57 0.09 0.02) = 3.987% kept HG3 LYS+ 108 - HN HIS+ 14 11.111% * 1.6317% (0.16 0.13 0.02) = 1.632% kept HG2 PRO 31 - HN HIS+ 14 11.111% * 1.3198% (0.89 0.02 0.02) = 1.320% kept HG3 ARG+ 53 - HN HIS+ 14 11.111% * 1.1172% (0.75 0.02 0.02) = 1.117% kept HD3 LYS+ 72 - HN HIS+ 14 11.111% * 0.3879% (0.26 0.02 0.02) = 0.388% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 641 (4.39, 8.42, 119.97 ppm): 14 chemical-shift based assignments, quality = 0.494, support = 1.04, residual support = 0.73: * O HA HIS+ 14 - HN HIS+ 14 7.143% * 55.3179% (0.32 10.0 1.00 0.60) = 55.318% kept HA SER 88 - HN HIS+ 14 7.143% * 22.6178% (0.89 1.0 1.47 1.50) = 22.618% kept HA SER 27 - HN HIS+ 14 7.143% * 9.6155% (0.61 1.0 0.92 0.47) = 9.615% kept HA2 GLY 26 - HN HIS+ 14 7.143% * 3.6259% (0.16 1.0 1.28 0.33) = 3.626% kept HA ASN 57 - HN HIS+ 14 7.143% * 3.3607% (0.89 1.0 0.22 0.02) = 3.361% kept HA PRO 86 - HN HIS+ 14 7.143% * 2.1070% (0.46 1.0 0.27 0.02) = 2.107% kept HA ALA 91 - HN HIS+ 14 7.143% * 1.3343% (0.82 1.0 0.09 0.02) = 1.334% kept HA LYS+ 60 - HN HIS+ 14 7.143% * 0.9708% (0.46 1.0 0.12 0.02) = 0.971% HA THR 95 - HN HIS+ 14 7.143% * 0.2994% (0.87 1.0 0.02 0.02) = 0.299% HA PRO 104 - HN HIS+ 14 7.143% * 0.2709% (0.79 1.0 0.02 0.02) = 0.271% HA ALA 37 - HN HIS+ 14 7.143% * 0.1967% (0.57 1.0 0.02 0.02) = 0.197% HA TRP 51 - HN HIS+ 14 7.143% * 0.1454% (0.42 1.0 0.02 0.02) = 0.145% HB THR 61 - HN HIS+ 14 7.143% * 0.0809% (0.23 1.0 0.02 0.02) = 0.081% HA LYS+ 66 - HN HIS+ 14 7.143% * 0.0568% (0.16 1.0 0.02 0.02) = 0.057% Peak 642 (4.79, 8.42, 119.97 ppm): 3 chemical-shift based assignments, quality = 0.753, support = 1.31, residual support = 4.71: * HA ASN 15 - HN HIS+ 14 33.333% * 93.5846% (0.79 1.38 5.03) = 93.585% kept HB THR 39 - HN HIS+ 14 33.333% * 5.3666% (0.21 0.30 0.02) = 5.367% kept HA LEU 23 - HN HIS+ 14 33.333% * 1.0488% (0.61 0.02 0.02) = 1.049% kept Peak 643 (4.69, 8.42, 119.97 ppm): 7 chemical-shift based assignments, quality = 0.661, support = 0.468, residual support = 0.111: HA GLN 16 - HN HIS+ 14 14.286% * 42.1570% (0.82 0.45 0.02) = 42.157% kept HA ASN 89 - HN HIS+ 14 14.286% * 41.8559% (0.61 0.59 0.24) = 41.856% kept HA TYR 83 - HN HIS+ 14 14.286% * 11.5387% (0.39 0.26 0.02) = 11.539% kept HA VAL 99 - HN HIS+ 14 14.286% * 1.5799% (0.68 0.02 0.02) = 1.580% kept HA THR 61 - HN HIS+ 14 14.286% * 1.2318% (0.53 0.02 0.02) = 1.232% kept HA THR 39 - HN HIS+ 14 14.286% * 0.8945% (0.39 0.02 0.02) = 0.894% HA2 GLY 30 - HN HIS+ 14 14.286% * 0.7422% (0.32 0.02 0.02) = 0.742% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 644 (4.21, 8.42, 119.97 ppm): 9 chemical-shift based assignments, quality = 0.689, support = 0.498, residual support = 0.132: HA GLU- 12 - HN HIS+ 14 11.111% * 45.2519% (0.87 0.65 0.21) = 45.252% kept HA GLU- 18 - HN HIS+ 14 11.111% * 21.2254% (0.46 0.58 0.15) = 21.225% kept HA ASP- 82 - HN HIS+ 14 11.111% * 16.4032% (0.87 0.24 0.02) = 16.403% kept HA SER 49 - HN HIS+ 14 11.111% * 11.3654% (0.42 0.34 0.02) = 11.365% kept HA LYS+ 108 - HN HIS+ 14 11.111% * 2.3253% (0.21 0.14 0.02) = 2.325% kept HA GLU- 54 - HN HIS+ 14 11.111% * 1.5649% (0.21 0.09 0.02) = 1.565% kept HB3 SER 49 - HN HIS+ 14 11.111% * 0.9621% (0.60 0.02 0.02) = 0.962% HA ALA 42 - HN HIS+ 14 11.111% * 0.5660% (0.35 0.02 0.02) = 0.566% HA GLU- 10 - HN HIS+ 14 11.111% * 0.3358% (0.21 0.02 0.02) = 0.336% Reference assignment not found: HB3 HIS+ 14 - HN HIS+ 14 Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 645 (3.83, 8.42, 119.97 ppm): 4 chemical-shift based assignments, quality = 0.322, support = 0.465, residual support = 1.03: HB3 SER 88 - HN HIS+ 14 25.000% * 68.3412% (0.13 0.67 1.50) = 68.341% kept HA2 GLY 92 - HN HIS+ 14 25.000% * 14.5171% (0.91 0.02 0.02) = 14.517% kept HD3 PRO 86 - HN HIS+ 14 25.000% * 11.4960% (0.72 0.02 0.02) = 11.496% kept HB3 SER 41 - HN HIS+ 14 25.000% * 5.6457% (0.35 0.02 0.02) = 5.646% kept Reference assignment not found: HA VAL 13 - HN HIS+ 14 Peak 646 (8.12, 8.42, 119.97 ppm): 3 chemical-shift based assignments, quality = 0.82, support = 1.55, residual support = 1.16: HN SER 88 - HN HIS+ 14 33.333% * 71.0932% (0.79 1.91 1.50) = 71.093% kept HN GLY 26 - HN HIS+ 14 33.333% * 28.7308% (0.91 0.67 0.33) = 28.731% kept HN SER 77 - HN HIS+ 14 33.333% * 0.1760% (0.19 0.02 0.02) = 0.176% Peak 649 (8.06, 8.06, 119.92 ppm): 1 diagonal assignment: * HN ASN 15 - HN ASN 15 (0.99) 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): 7 chemical-shift based assignments, quality = 0.96, support = 3.28, residual support = 25.0: * QG1 VAL 80 - HN VAL 80 14.286% * 95.2943% (0.98 3.44 26.28) = 95.294% kept QG2 VAL 40 - HN VAL 80 14.286% * 3.1756% (0.82 0.14 0.02) = 3.176% kept QG2 VAL 87 - HN VAL 80 14.286% * 0.4633% (0.82 0.02 0.02) = 0.463% QG1 VAL 47 - HN VAL 80 14.286% * 0.4239% (0.75 0.02 0.02) = 0.424% QD1 LEU 67 - HN VAL 80 14.286% * 0.3810% (0.67 0.02 0.02) = 0.381% QG2 ILE 100 - HN VAL 80 14.286% * 0.1383% (0.24 0.02 0.02) = 0.138% QD1 LEU 90 - HN VAL 80 14.286% * 0.1235% (0.22 0.02 0.02) = 0.124% 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 = 3.03, residual support = 14.0: O HA THR 79 - HN VAL 80 100.000% *100.0000% (0.44 10.0 3.03 13.96) = 100.000% kept Peak 659 (2.25, 8.59, 119.88 ppm): 15 chemical-shift based assignments, quality = 0.491, support = 3.78, residual support = 24.6: * O HB VAL 80 - HN VAL 80 6.667% * 93.7347% (0.48 10.0 4.02 26.28) = 93.735% kept HB3 PRO 35 - HN VAL 80 6.667% * 3.4922% (0.90 1.0 0.40 0.02) = 3.492% kept HG3 GLU- 107 - HN VAL 80 6.667% * 1.4669% (0.88 1.0 0.17 0.02) = 1.467% kept HB3 ASN 15 - HN VAL 80 6.667% * 0.1822% (0.93 1.0 0.02 0.02) = 0.182% HG2 GLU- 56 - HN VAL 80 6.667% * 0.1670% (0.85 1.0 0.02 0.02) = 0.167% HG3 GLU- 54 - HN VAL 80 6.667% * 0.1608% (0.82 1.0 0.02 0.02) = 0.161% HG3 GLU- 10 - HN VAL 80 6.667% * 0.1608% (0.82 1.0 0.02 0.02) = 0.161% HG3 GLU- 56 - HN VAL 80 6.667% * 0.1472% (0.75 1.0 0.02 0.02) = 0.147% HG2 GLU- 64 - HN VAL 80 6.667% * 0.1231% (0.63 1.0 0.02 0.02) = 0.123% HA1 GLY 58 - HN VAL 80 6.667% * 0.0837% (0.43 1.0 0.02 0.02) = 0.084% HG3 GLU- 75 - HN VAL 80 6.667% * 0.0792% (0.40 1.0 0.02 0.02) = 0.079% HB3 PRO 52 - HN VAL 80 6.667% * 0.0657% (0.33 1.0 0.02 0.02) = 0.066% HG3 GLU- 64 - HN VAL 80 6.667% * 0.0639% (0.33 1.0 0.02 0.02) = 0.064% HG3 GLN 102 - HN VAL 80 6.667% * 0.0429% (0.22 1.0 0.02 0.02) = 0.043% HG3 GLU- 18 - HN VAL 80 6.667% * 0.0297% (0.15 1.0 0.02 0.02) = 0.030% Peak 660 (4.49, 8.59, 119.88 ppm): 6 chemical-shift based assignments, quality = 0.793, support = 3.11, residual support = 11.4: HB THR 79 - HN VAL 80 16.667% * 81.2822% (0.78 3.74 13.96) = 81.282% kept HA SER 77 - HN VAL 80 16.667% * 9.7280% (0.98 0.36 0.02) = 9.728% kept HA LYS+ 32 - HN VAL 80 16.667% * 8.4837% (0.71 0.43 0.02) = 8.484% kept HA GLN 102 - HN VAL 80 16.667% * 0.1853% (0.33 0.02 0.02) = 0.185% HA ILE 100 - HN VAL 80 16.667% * 0.1853% (0.33 0.02 0.02) = 0.185% HB THR 46 - HN VAL 80 16.667% * 0.1355% (0.24 0.02 0.02) = 0.135% Peak 661 (3.43, 8.59, 119.88 ppm): 4 chemical-shift based assignments, quality = 0.33, support = 4.29, residual support = 25.9: O HA VAL 80 - HN VAL 80 25.000% * 98.7244% (0.33 10.0 4.35 26.28) = 98.724% kept HA VAL 40 - HN VAL 80 25.000% * 0.7445% (0.37 1.0 0.14 0.02) = 0.744% HA ILE 48 - HN VAL 80 25.000% * 0.2894% (0.98 1.0 0.02 0.02) = 0.289% HA VAL 62 - HN VAL 80 25.000% * 0.2417% (0.82 1.0 0.02 0.02) = 0.242% Reference assignment not found: HB THR 79 - HN VAL 80 Peak 662 (1.09, 8.59, 119.88 ppm): 3 chemical-shift based assignments, quality = 0.727, support = 3.72, residual support = 11.9: * QG2 THR 79 - HN VAL 80 33.333% * 85.2384% (0.71 4.25 13.96) = 85.238% kept QG2 THR 95 - HN VAL 80 33.333% * 14.6765% (0.82 0.64 0.15) = 14.676% kept QG2 THR 61 - HN VAL 80 33.333% * 0.0852% (0.15 0.02 0.02) = 0.085% Peak 663 (8.24, 8.59, 119.88 ppm): 10 chemical-shift based assignments, quality = 0.857, support = 3.55, residual support = 8.46: * T HN LYS+ 81 - HN VAL 80 10.000% * 59.1199% (0.96 10.00 4.73 12.37) = 59.120% kept T HN THR 106 - HN VAL 80 10.000% * 40.5950% (0.71 10.00 1.85 2.83) = 40.595% kept HN GLU- 12 - HN VAL 80 10.000% * 0.0603% (0.98 1.00 0.02 0.02) = 0.060% HN LEU 67 - HN VAL 80 10.000% * 0.0591% (0.96 1.00 0.02 0.02) = 0.059% HN GLY 58 - HN VAL 80 10.000% * 0.0557% (0.90 1.00 0.02 0.02) = 0.056% HN SER 49 - HN VAL 80 10.000% * 0.0483% (0.78 1.00 0.02 0.02) = 0.048% HN GLN 16 - HN VAL 80 10.000% * 0.0206% (0.33 1.00 0.02 0.02) = 0.021% HN VAL 94 - HN VAL 80 10.000% * 0.0168% (0.27 1.00 0.02 0.02) = 0.017% HN VAL 105 - HN VAL 80 10.000% * 0.0150% (0.24 1.00 0.02 0.02) = 0.015% HN ALA 11 - HN VAL 80 10.000% * 0.0093% (0.15 1.00 0.02 0.02) = 0.009% 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 = 2.92, residual support = 14.9: O HA SER 69 - HN SER 69 20.000% * 94.6232% (0.31 10.0 3.07 15.74) = 94.623% kept HA MET 97 - HN SER 69 20.000% * 3.7825% (0.69 1.0 0.36 0.02) = 3.783% kept HA HIS+ 98 - HN SER 69 20.000% * 1.0224% (0.51 1.0 0.13 0.02) = 1.022% kept HA ILE 101 - HN SER 69 20.000% * 0.3498% (0.28 1.0 0.08 0.02) = 0.350% HA ALA 33 - HN SER 69 20.000% * 0.2221% (0.72 1.0 0.02 0.02) = 0.222% Peak 666 (0.67, 8.80, 119.98 ppm): 7 chemical-shift based assignments, quality = 0.497, support = 2.63, residual support = 6.25: QG2 ILE 68 - HN SER 69 14.286% * 79.0504% (0.48 3.26 7.90) = 79.050% kept QG2 ILE 48 - HN SER 69 14.286% * 9.7640% (0.73 0.27 0.02) = 9.764% kept QG2 VAL 94 - HN SER 69 14.286% * 7.7771% (0.48 0.32 0.02) = 7.777% kept QG2 ILE 101 - HN SER 69 14.286% * 1.7189% (0.39 0.09 0.02) = 1.719% kept QG1 VAL 62 - HN SER 69 14.286% * 0.7499% (0.75 0.02 0.02) = 0.750% HG12 ILE 19 - HN SER 69 14.286% * 0.5151% (0.51 0.02 0.02) = 0.515% QD1 ILE 19 - HN SER 69 14.286% * 0.4246% (0.42 0.02 0.02) = 0.425% Peak 667 (3.70, 8.80, 119.98 ppm): 4 chemical-shift based assignments, quality = 0.719, support = 2.48, residual support = 15.7: O HB3 SER 69 - HN SER 69 25.000% * 99.7506% (0.72 10.0 2.49 15.74) = 99.751% kept HA LYS+ 81 - HN SER 69 25.000% * 0.1013% (0.73 1.0 0.02 0.80) = 0.101% HB2 TRP 51 - HN SER 69 25.000% * 0.0978% (0.71 1.0 0.02 0.02) = 0.098% HD2 PRO 52 - HN SER 69 25.000% * 0.0503% (0.36 1.0 0.02 0.02) = 0.050% Peak 668 (0.91, 8.80, 119.98 ppm): 11 chemical-shift based assignments, quality = 0.515, support = 2.88, residual support = 5.23: HG12 ILE 68 - HN SER 69 9.091% * 65.7167% (0.48 3.93 7.90) = 65.717% kept QD1 LEU 67 - HN SER 69 9.091% * 23.9552% (0.62 1.11 0.13) = 23.955% kept QG1 VAL 47 - HN SER 69 9.091% * 7.2456% (0.57 0.37 0.02) = 7.246% kept QG2 VAL 40 - HN SER 69 9.091% * 1.3766% (0.51 0.08 0.02) = 1.377% kept QG2 VAL 80 - HN SER 69 9.091% * 0.4318% (0.62 0.02 0.02) = 0.432% QG2 VAL 87 - HN SER 69 9.091% * 0.3551% (0.51 0.02 0.02) = 0.355% HB2 ARG+ 84 - HN SER 69 9.091% * 0.2125% (0.31 0.02 0.12) = 0.213% QG2 VAL 105 - HN SER 69 9.091% * 0.1940% (0.28 0.02 0.02) = 0.194% QD1 LEU 17 - HN SER 69 9.091% * 0.1764% (0.25 0.02 0.02) = 0.176% QG1 VAL 80 - HN SER 69 9.091% * 0.1764% (0.25 0.02 0.02) = 0.176% QG1 VAL 105 - HN SER 69 9.091% * 0.1596% (0.23 0.02 0.02) = 0.160% Reference assignment not found: HG13 ILE 68 - HN SER 69 Peak 669 (7.95, 8.80, 119.98 ppm): 1 chemical-shift based assignment, quality = 0.72, support = 0.728, residual support = 1.32: T HN LYS+ 72 - HN SER 69 100.000% *100.0000% (0.72 10.00 0.73 1.32) = 100.000% kept Peak 670 (3.50, 8.80, 119.98 ppm): 2 chemical-shift based assignments, quality = 0.631, support = 0.488, residual support = 0.658: HA1 GLY 30 - HN SER 69 50.000% * 96.9679% (0.65 0.50 0.68) = 96.968% kept HA LYS+ 44 - HN SER 69 50.000% * 3.0321% (0.12 0.09 0.02) = 3.032% kept Reference assignment not found: HB3 SER 69 - HN SER 69 Peak 671 (0.45, 8.80, 119.98 ppm): 2 chemical-shift based assignments, quality = 0.596, support = 3.77, residual support = 30.2: QD2 LEU 74 - HN SER 69 50.000% * 94.2809% (0.62 3.93 31.90) = 94.281% kept QD2 LEU 43 - HN SER 69 50.000% * 5.7191% (0.15 1.01 1.96) = 5.719% kept Reference assignment not found: QG2 ILE 68 - HN SER 69 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): 8 chemical-shift based assignments, quality = 0.627, support = 3.27, residual support = 16.6: * O HB3 LYS+ 63 - HN LYS+ 63 12.500% * 72.6857% (0.52 10.0 2.96 16.65) = 72.686% kept HG3 LYS+ 63 - HN LYS+ 63 12.500% * 26.7920% (0.92 1.0 4.20 16.65) = 26.792% kept HG3 ARG+ 53 - HN LYS+ 63 12.500% * 0.1369% (0.99 1.0 0.02 0.12) = 0.137% HB3 GLU- 18 - HN LYS+ 63 12.500% * 0.1307% (0.94 1.0 0.02 0.02) = 0.131% HG2 PRO 31 - HN LYS+ 63 12.500% * 0.1239% (0.89 1.0 0.02 0.02) = 0.124% HB3 LYS+ 108 - HN LYS+ 63 12.500% * 0.0727% (0.52 1.0 0.02 0.02) = 0.073% HB2 LEU 17 - HN LYS+ 63 12.500% * 0.0308% (0.22 1.0 0.02 0.02) = 0.031% HB3 ARG+ 84 - HN LYS+ 63 12.500% * 0.0273% (0.20 1.0 0.02 0.02) = 0.027% Peak 676 (4.08, 7.83, 119.35 ppm): 6 chemical-shift based assignments, quality = 0.293, support = 2.87, residual support = 13.7: * O HA LYS+ 63 - HN LYS+ 63 16.667% * 82.3639% (0.22 10.0 3.33 16.65) = 82.364% kept HB2 SER 49 - HN LYS+ 63 16.667% * 9.1528% (0.72 1.0 0.68 0.02) = 9.153% kept HB3 SER 49 - HN LYS+ 63 16.667% * 8.0353% (0.55 1.0 0.78 0.02) = 8.035% kept HA THR 24 - HN LYS+ 63 16.667% * 0.1946% (0.52 1.0 0.02 0.02) = 0.195% HB THR 38 - HN LYS+ 63 16.667% * 0.1801% (0.48 1.0 0.02 0.02) = 0.180% HA ALA 70 - HN LYS+ 63 16.667% * 0.0732% (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 = 4.33, residual support = 15.0: * T HN GLU- 64 - HN LYS+ 63 50.000% * 99.9786% (0.92 10.00 4.33 15.02) = 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 = 0.918, support = 2.83, residual support = 14.1: * QG2 VAL 62 - HN LYS+ 63 10.000% * 79.5428% (0.94 3.45 17.73) = 79.543% kept QG2 VAL 99 - HN LYS+ 63 10.000% * 9.5118% (0.83 0.47 0.02) = 9.512% kept QG2 ILE 29 - HN LYS+ 63 10.000% * 9.0851% (0.99 0.37 0.02) = 9.085% kept QG2 VAL 73 - HN LYS+ 63 10.000% * 0.4826% (0.99 0.02 0.02) = 0.483% QG1 VAL 105 - HN LYS+ 63 10.000% * 0.3150% (0.64 0.02 0.02) = 0.315% QD1 LEU 17 - HN LYS+ 63 10.000% * 0.2953% (0.60 0.02 0.02) = 0.295% QG2 VAL 105 - HN LYS+ 63 10.000% * 0.2757% (0.56 0.02 0.02) = 0.276% HB2 ARG+ 84 - HN LYS+ 63 10.000% * 0.2562% (0.52 0.02 0.02) = 0.256% HG12 ILE 68 - HN LYS+ 63 10.000% * 0.1503% (0.31 0.02 0.02) = 0.150% QG2 VAL 80 - HN LYS+ 63 10.000% * 0.0853% (0.17 0.02 0.02) = 0.085% Peak 679 (4.36, 7.83, 119.35 ppm): 7 chemical-shift based assignments, quality = 0.671, support = 2.46, residual support = 2.27: * HB THR 61 - HN LYS+ 63 14.286% * 69.5536% (0.76 2.88 3.05) = 69.554% kept HA LYS+ 60 - HN LYS+ 63 14.286% * 26.4082% (0.48 1.72 0.53) = 26.408% kept HA TRP 51 - HN LYS+ 63 14.286% * 2.1367% (0.52 0.13 0.67) = 2.137% kept HA SER 27 - HN LYS+ 63 14.286% * 1.0059% (0.34 0.09 0.02) = 1.006% kept HA2 GLY 26 - HN LYS+ 63 14.286% * 0.5479% (0.86 0.02 0.02) = 0.548% HA ALA 37 - HN LYS+ 63 14.286% * 0.2371% (0.37 0.02 0.02) = 0.237% HA ALA 91 - HN LYS+ 63 14.286% * 0.1106% (0.17 0.02 0.02) = 0.111% Peak 680 (2.04, 7.83, 119.35 ppm): 12 chemical-shift based assignments, quality = 0.663, support = 0.619, residual support = 2.29: HB3 GLU- 54 - HN LYS+ 63 8.333% * 31.0269% (0.80 0.68 0.38) = 31.027% kept HB3 GLU- 45 - HN LYS+ 63 8.333% * 27.3539% (0.83 0.58 0.14) = 27.354% kept HB2 GLU- 45 - HN LYS+ 63 8.333% * 18.8101% (0.72 0.46 0.14) = 18.810% kept HG3 GLU- 64 - HN LYS+ 63 8.333% * 14.0359% (0.26 0.96 15.02) = 14.036% kept HB3 PRO 35 - HN LYS+ 63 8.333% * 4.7017% (0.13 0.61 0.02) = 4.702% kept HG3 PRO 86 - HN LYS+ 63 8.333% * 1.0744% (0.94 0.02 0.02) = 1.074% kept HB3 GLU- 10 - HN LYS+ 63 8.333% * 0.7801% (0.68 0.02 0.02) = 0.780% HB3 PRO 31 - HN LYS+ 63 8.333% * 0.6889% (0.60 0.02 0.02) = 0.689% HB3 GLU- 75 - HN LYS+ 63 8.333% * 0.6829% (0.60 0.02 0.02) = 0.683% HB3 GLU- 107 - HN LYS+ 63 8.333% * 0.4669% (0.41 0.02 0.02) = 0.467% HB2 GLU- 18 - HN LYS+ 63 8.333% * 0.2248% (0.20 0.02 0.02) = 0.225% HA1 GLY 58 - HN LYS+ 63 8.333% * 0.1537% (0.13 0.02 0.02) = 0.154% Reference assignment not found: HB VAL 62 - HN LYS+ 63 Peak 681 (1.44, 7.83, 119.35 ppm): 9 chemical-shift based assignments, quality = 0.617, support = 0.371, residual support = 0.41: HG3 LYS+ 60 - HN LYS+ 63 11.111% * 43.9029% (0.48 0.65 0.53) = 43.903% kept HG3 LYS+ 55 - HN LYS+ 63 11.111% * 23.6627% (0.92 0.18 0.57) = 23.663% kept HG2 PRO 59 - HN LYS+ 63 11.111% * 14.0287% (0.48 0.21 0.02) = 14.029% kept HD3 LYS+ 44 - HN LYS+ 63 11.111% * 9.9299% (0.60 0.12 0.38) = 9.930% kept HG LEU 90 - HN LYS+ 63 11.111% * 2.7550% (0.99 0.02 0.02) = 2.755% kept QG2 THR 38 - HN LYS+ 63 11.111% * 2.2257% (0.80 0.02 0.02) = 2.226% kept QB ALA 91 - HN LYS+ 63 11.111% * 2.0184% (0.72 0.02 0.02) = 2.018% kept HG13 ILE 48 - HN LYS+ 63 11.111% * 0.8579% (0.31 0.02 0.02) = 0.858% QB ALA 37 - HN LYS+ 63 11.111% * 0.6188% (0.22 0.02 0.02) = 0.619% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 682 (8.74, 7.83, 119.35 ppm): 4 chemical-shift based assignments, quality = 0.706, support = 4.02, residual support = 13.2: * T HN VAL 62 - HN LYS+ 63 25.000% * 74.1921% (0.64 10.00 5.25 17.73) = 74.192% kept T HN GLU- 56 - HN LYS+ 63 25.000% * 25.6507% (0.89 10.00 0.50 0.02) = 25.651% kept HN ILE 101 - HN LYS+ 63 25.000% * 0.1059% (0.92 1.00 0.02 0.02) = 0.106% HN PHE 34 - HN LYS+ 63 25.000% * 0.0514% (0.45 1.00 0.02 0.02) = 0.051% Peak 683 (3.43, 7.83, 119.35 ppm): 4 chemical-shift based assignments, quality = 0.695, support = 4.3, residual support = 16.9: * O HA VAL 62 - HN LYS+ 63 25.000% * 95.5000% (0.68 10.0 4.47 17.73) = 95.500% kept HA ILE 48 - HN LYS+ 63 25.000% * 4.4344% (0.96 1.0 0.66 0.02) = 4.434% kept HA VAL 40 - HN LYS+ 63 25.000% * 0.0347% (0.25 1.0 0.02 0.02) = 0.035% HA VAL 80 - HN LYS+ 63 25.000% * 0.0310% (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 = 0.692, support = 3.18, residual support = 35.1: * QD PHE 34 - HN PHE 34 14.286% * 50.8327% (0.90 3.56 37.49) = 50.833% kept QE PHE 34 - HN PHE 34 14.286% * 27.0095% (0.45 3.78 37.49) = 27.010% kept HZ PHE 34 - HN PHE 34 14.286% * 15.4780% (0.45 2.17 37.49) = 15.478% kept HN VAL 47 - HN PHE 34 14.286% * 3.4233% (0.94 0.23 2.89) = 3.423% kept HN ILE 48 - HN PHE 34 14.286% * 2.8063% (0.49 0.36 1.94) = 2.806% kept HN ARG+ 84 - HN PHE 34 14.286% * 0.3074% (0.96 0.02 0.12) = 0.307% HZ2 TRP 51 - HN PHE 34 14.286% * 0.1428% (0.45 0.02 0.02) = 0.143% Peak 686 (4.91, 8.76, 119.28 ppm): 1 chemical-shift based assignment, quality = 0.154, support = 0.33, residual support = 34.2: HA ILE 19 - HN PHE 34 100.000% *100.0000% (0.15 0.33 34.23) = 100.000% kept Reference assignment not found: HA ALA 33 - HN PHE 34 Peak 687 (2.60, 8.76, 119.28 ppm): 4 chemical-shift based assignments, quality = 0.798, support = 3.91, residual support = 36.7: * O HB2 PHE 34 - HN PHE 34 25.000% * 97.7558% (0.80 10.0 4.00 37.49) = 97.756% kept HA1 GLY 58 - HN PHE 34 25.000% * 1.1561% (0.99 1.0 0.19 0.02) = 1.156% kept HE2 LYS+ 20 - HN PHE 34 25.000% * 1.0577% (0.41 1.0 0.42 1.65) = 1.058% kept HB2 ASP- 25 - HN PHE 34 25.000% * 0.0304% (0.25 1.0 0.02 0.02) = 0.030% Peak 688 (1.13, 8.76, 119.28 ppm): 4 chemical-shift based assignments, quality = 0.754, support = 2.54, residual support = 12.2: * QB ALA 33 - HN PHE 34 25.000% * 49.7266% (0.57 3.61 6.12) = 49.727% kept HG3 LYS+ 32 - HN PHE 34 25.000% * 40.9753% (0.99 1.70 22.26) = 40.975% kept QG2 THR 61 - HN PHE 34 25.000% * 9.2231% (0.73 0.52 0.02) = 9.223% kept QG2 THR 79 - HN PHE 34 25.000% * 0.0751% (0.15 0.02 0.02) = 0.075% Peak 689 (5.01, 8.76, 119.28 ppm): 3 chemical-shift based assignments, quality = 0.712, support = 0.126, residual support = 0.02: HA ILE 68 - HN PHE 34 33.333% * 48.8053% (0.76 0.12 0.02) = 48.805% kept HA PRO 31 - HN PHE 34 33.333% * 48.3075% (0.69 0.14 0.02) = 48.307% kept HA SER 69 - HN PHE 34 33.333% * 2.8873% (0.28 0.02 0.02) = 2.887% kept Reference assignment not found: HA PHE 34 - HN PHE 34 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 690 (3.15, 8.76, 119.28 ppm): 7 chemical-shift based assignments, quality = 0.601, support = 2.94, residual support = 37.2: * O HB3 PHE 34 - HN PHE 34 14.286% * 99.1960% (0.61 10.0 2.97 37.49) = 99.196% kept HA1 GLY 58 - HN PHE 34 14.286% * 0.3579% (0.23 1.0 0.19 0.02) = 0.358% HD2 ARG+ 53 - HN PHE 34 14.286% * 0.1578% (0.96 1.0 0.02 0.16) = 0.158% HB3 HIS+ 98 - HN PHE 34 14.286% * 0.1419% (0.87 1.0 0.02 0.02) = 0.142% HD3 ARG+ 84 - HN PHE 34 14.286% * 0.0505% (0.31 1.0 0.02 0.12) = 0.050% HE3 LYS+ 108 - HN PHE 34 14.286% * 0.0505% (0.31 1.0 0.02 0.02) = 0.050% HE3 LYS+ 72 - HN PHE 34 14.286% * 0.0455% (0.28 1.0 0.02 0.02) = 0.045% Peak 691 (8.98, 8.76, 119.28 ppm): 3 chemical-shift based assignments, quality = 0.655, support = 0.731, residual support = 19.7: T HN ILE 19 - HN PHE 34 33.333% * 56.6457% (0.90 10.00 0.51 34.23) = 56.646% kept T HN LEU 17 - HN PHE 34 33.333% * 43.2241% (0.34 10.00 1.02 0.64) = 43.224% kept HN MET 97 - HN PHE 34 33.333% * 0.1303% (0.53 1.00 0.02 0.02) = 0.130% Peak 692 (4.73, 8.18, 119.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 693 (1.71, 8.18, 119.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 694 (2.78, 8.18, 119.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 695 (4.65, 8.18, 119.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 696 (8.18, 8.18, 119.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 697 (1.88, 8.18, 119.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 698 (2.25, 8.18, 119.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 699 (2.08, 8.18, 119.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 700 (4.12, 8.25, 118.98 ppm): 18 chemical-shift based assignments, quality = 0.686, support = 0.578, residual support = 1.01: HB3 SER 49 - HN THR 106 5.556% * 42.0939% (0.89 0.71 0.46) = 42.094% kept HA THR 46 - HN LYS+ 81 5.556% * 31.3284% (0.60 0.78 2.59) = 31.328% kept HA THR 46 - HN THR 106 5.556% * 9.0772% (0.91 0.15 0.02) = 9.077% kept HA2 GLY 71 - HN THR 106 5.556% * 5.9146% (0.41 0.22 0.02) = 5.915% kept HA2 GLY 71 - HN LYS+ 81 5.556% * 4.1789% (0.27 0.23 0.02) = 4.179% kept HA ARG+ 53 - HN THR 106 5.556% * 1.0124% (0.75 0.02 0.02) = 1.012% kept HA ALA 70 - HN THR 106 5.556% * 0.8035% (0.60 0.02 0.02) = 0.804% HD2 PRO 59 - HN THR 106 5.556% * 0.8035% (0.60 0.02 0.02) = 0.804% HB3 SER 49 - HN LYS+ 81 5.556% * 0.7843% (0.58 0.02 0.02) = 0.784% HA LYS+ 63 - HN THR 106 5.556% * 0.7500% (0.56 0.02 0.02) = 0.750% HA ARG+ 53 - HN LYS+ 81 5.556% * 0.6660% (0.50 0.02 0.02) = 0.666% HA ALA 70 - HN LYS+ 81 5.556% * 0.5286% (0.39 0.02 0.02) = 0.529% HD2 PRO 59 - HN LYS+ 81 5.556% * 0.5286% (0.39 0.02 0.02) = 0.529% HA LYS+ 63 - HN LYS+ 81 5.556% * 0.4934% (0.37 0.02 0.02) = 0.493% HA THR 24 - HN THR 106 5.556% * 0.3303% (0.25 0.02 0.02) = 0.330% HB2 SER 88 - HN THR 106 5.556% * 0.2949% (0.22 0.02 0.02) = 0.295% HA THR 24 - HN LYS+ 81 5.556% * 0.2173% (0.16 0.02 0.02) = 0.217% HB2 SER 88 - HN LYS+ 81 5.556% * 0.1940% (0.14 0.02 0.02) = 0.194% Reference assignment not found: HA VAL 105 - HN THR 106 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 (4.28, 8.25, 118.98 ppm): 34 chemical-shift based assignments, quality = 0.783, support = 2.86, residual support = 15.7: * O HA THR 106 - HN THR 106 2.941% * 92.9408% (0.82 10.0 3.02 16.80) = 92.941% kept HA GLU- 107 - HN THR 106 2.941% * 2.3528% (0.22 1.0 1.90 3.17) = 2.353% kept HD3 PRO 59 - HN THR 106 2.941% * 1.3880% (0.88 1.0 0.28 0.02) = 1.388% kept HD3 PRO 59 - HN LYS+ 81 2.941% * 0.7932% (0.58 1.0 0.24 0.02) = 0.793% HB3 SER 49 - HN THR 106 2.941% * 0.5806% (0.15 1.0 0.71 0.46) = 0.581% HA ASP- 36 - HN LYS+ 81 2.941% * 0.4624% (0.37 1.0 0.22 0.02) = 0.462% HA LEU 90 - HN THR 106 2.941% * 0.1110% (0.98 1.0 0.02 0.02) = 0.111% HA VAL 94 - HN THR 106 2.941% * 0.1027% (0.91 1.0 0.02 0.02) = 0.103% HA SER 85 - HN THR 106 2.941% * 0.0998% (0.88 1.0 0.02 0.02) = 0.100% HA ARG+ 84 - HN THR 106 2.941% * 0.0998% (0.88 1.0 0.02 0.02) = 0.100% HA PRO 52 - HN THR 106 2.941% * 0.0998% (0.88 1.0 0.02 0.02) = 0.100% HA VAL 65 - HN THR 106 2.941% * 0.0929% (0.82 1.0 0.02 0.02) = 0.093% HA LEU 90 - HN LYS+ 81 2.941% * 0.0730% (0.65 1.0 0.02 0.02) = 0.073% HA VAL 94 - HN LYS+ 81 2.941% * 0.0676% (0.60 1.0 0.02 0.10) = 0.068% HA PRO 52 - HN LYS+ 81 2.941% * 0.0656% (0.58 1.0 0.02 0.02) = 0.066% HA SER 85 - HN LYS+ 81 2.941% * 0.0656% (0.58 1.0 0.02 0.02) = 0.066% HA ARG+ 84 - HN LYS+ 81 2.941% * 0.0656% (0.58 1.0 0.02 0.56) = 0.066% HA ASP- 36 - HN THR 106 2.941% * 0.0630% (0.56 1.0 0.02 0.02) = 0.063% HA THR 106 - HN LYS+ 81 2.941% * 0.0611% (0.54 1.0 0.02 1.85) = 0.061% HA VAL 65 - HN LYS+ 81 2.941% * 0.0611% (0.54 1.0 0.02 0.02) = 0.061% HA GLU- 64 - HN THR 106 2.941% * 0.0585% (0.52 1.0 0.02 0.02) = 0.059% HA GLU- 75 - HN THR 106 2.941% * 0.0542% (0.48 1.0 0.02 0.02) = 0.054% HA GLU- 64 - HN LYS+ 81 2.941% * 0.0385% (0.34 1.0 0.02 0.02) = 0.039% HA GLU- 75 - HN LYS+ 81 2.941% * 0.0356% (0.32 1.0 0.02 0.02) = 0.036% HA GLU- 56 - HN THR 106 2.941% * 0.0277% (0.25 1.0 0.02 0.02) = 0.028% HA ASN 76 - HN THR 106 2.941% * 0.0220% (0.20 1.0 0.02 0.02) = 0.022% HA GLU- 56 - HN LYS+ 81 2.941% * 0.0183% (0.16 1.0 0.02 0.02) = 0.018% HA ILE 29 - HN THR 106 2.941% * 0.0172% (0.15 1.0 0.02 0.02) = 0.017% HA ALA 11 - HN THR 106 2.941% * 0.0172% (0.15 1.0 0.02 0.02) = 0.017% HA GLU- 107 - HN LYS+ 81 2.941% * 0.0163% (0.14 1.0 0.02 0.02) = 0.016% HA ASN 76 - HN LYS+ 81 2.941% * 0.0145% (0.13 1.0 0.02 0.02) = 0.014% HA ALA 11 - HN LYS+ 81 2.941% * 0.0113% (0.10 1.0 0.02 0.02) = 0.011% HA ILE 29 - HN LYS+ 81 2.941% * 0.0113% (0.10 1.0 0.02 0.02) = 0.011% HB3 SER 49 - HN LYS+ 81 2.941% * 0.0108% (0.10 1.0 0.02 0.02) = 0.011% Peak 705 (0.91, 8.25, 118.98 ppm): 22 chemical-shift based assignments, quality = 0.434, support = 2.73, residual support = 6.7: QG1 VAL 80 - HN LYS+ 81 4.545% * 22.8871% (0.34 4.81 12.37) = 22.887% kept QG2 VAL 80 - HN LYS+ 81 4.545% * 20.8681% (0.42 3.56 12.37) = 20.868% kept QG2 VAL 80 - HN THR 106 4.545% * 14.0461% (0.64 1.58 2.83) = 14.046% kept QG1 VAL 80 - HN THR 106 4.545% * 13.1600% (0.52 1.82 2.83) = 13.160% kept * QG2 VAL 105 - HN THR 106 4.545% * 7.6244% (0.22 2.49 3.57) = 7.624% kept QG1 VAL 47 - HN LYS+ 81 4.545% * 7.4170% (0.60 0.89 0.02) = 7.417% kept QG1 VAL 105 - HN THR 106 4.545% * 6.0186% (0.17 2.50 3.57) = 6.019% kept HG12 ILE 68 - HN THR 106 4.545% * 3.3918% (0.44 0.55 0.80) = 3.392% kept QG1 VAL 47 - HN THR 106 4.545% * 1.3662% (0.91 0.11 0.02) = 1.366% kept QD1 LEU 67 - HN THR 106 4.545% * 1.1925% (0.95 0.09 0.02) = 1.192% kept QG2 VAL 40 - HN THR 106 4.545% * 0.9438% (0.86 0.08 0.02) = 0.944% QG2 VAL 87 - HN THR 106 4.545% * 0.2386% (0.86 0.02 0.02) = 0.239% QD1 LEU 67 - HN LYS+ 81 4.545% * 0.1747% (0.63 0.02 0.02) = 0.175% QG2 VAL 87 - HN LYS+ 81 4.545% * 0.1570% (0.56 0.02 0.02) = 0.157% QG2 VAL 40 - HN LYS+ 81 4.545% * 0.1570% (0.56 0.02 0.02) = 0.157% HG12 ILE 68 - HN LYS+ 81 4.545% * 0.0811% (0.29 0.02 0.02) = 0.081% HB2 ARG+ 84 - HN THR 106 4.545% * 0.0686% (0.25 0.02 0.02) = 0.069% QD1 LEU 17 - HN THR 106 4.545% * 0.0544% (0.20 0.02 0.02) = 0.054% HB2 ARG+ 84 - HN LYS+ 81 4.545% * 0.0451% (0.16 0.02 0.56) = 0.045% QG2 VAL 105 - HN LYS+ 81 4.545% * 0.0403% (0.14 0.02 0.02) = 0.040% QD1 LEU 17 - HN LYS+ 81 4.545% * 0.0358% (0.13 0.02 0.02) = 0.036% QG1 VAL 105 - HN LYS+ 81 4.545% * 0.0317% (0.11 0.02 0.02) = 0.032% Peak 706 (2.00, 8.25, 118.98 ppm): 24 chemical-shift based assignments, quality = 0.449, support = 1.19, residual support = 1.66: HB3 GLU- 107 - HN THR 106 4.167% * 51.6940% (0.48 2.00 3.17) = 51.694% kept HB2 LYS+ 108 - HN THR 106 4.167% * 9.0577% (0.68 0.25 0.02) = 9.058% kept HB2 HIS+ 14 - HN THR 106 4.167% * 8.5986% (0.86 0.19 0.02) = 8.599% kept HB2 HIS+ 14 - HN LYS+ 81 4.167% * 6.8687% (0.56 0.23 0.02) = 6.869% kept HB VAL 73 - HN THR 106 4.167% * 5.6583% (0.17 0.61 0.02) = 5.658% kept HB3 PRO 31 - HN LYS+ 81 4.167% * 5.0175% (0.20 0.47 0.02) = 5.017% kept HB VAL 73 - HN LYS+ 81 4.167% * 3.9852% (0.11 0.65 0.34) = 3.985% kept HB3 GLU- 45 - HN LYS+ 81 4.167% * 3.2580% (0.10 0.60 0.02) = 3.258% kept HG2 PRO 86 - HN THR 106 4.167% * 0.9809% (0.91 0.02 0.02) = 0.981% HB2 GLU- 18 - HN THR 106 4.167% * 0.8121% (0.75 0.02 0.02) = 0.812% HG2 PRO 86 - HN LYS+ 81 4.167% * 0.6453% (0.60 0.02 0.02) = 0.645% HB2 GLU- 18 - HN LYS+ 81 4.167% * 0.5342% (0.50 0.02 0.02) = 0.534% HB2 LYS+ 108 - HN LYS+ 81 4.167% * 0.4802% (0.45 0.02 0.02) = 0.480% HB3 GLU- 107 - HN LYS+ 81 4.167% * 0.3403% (0.32 0.02 0.02) = 0.340% HB3 PRO 31 - HN THR 106 4.167% * 0.3280% (0.30 0.02 0.02) = 0.328% HB3 GLU- 10 - HN THR 106 4.167% * 0.2650% (0.25 0.02 0.02) = 0.265% HB3 GLU- 75 - HN THR 106 4.167% * 0.2637% (0.24 0.02 0.02) = 0.264% HG3 PRO 104 - HN THR 106 4.167% * 0.2366% (0.22 0.02 0.02) = 0.237% HB3 GLU- 54 - HN THR 106 4.167% * 0.1861% (0.17 0.02 0.02) = 0.186% HB3 GLU- 10 - HN LYS+ 81 4.167% * 0.1743% (0.16 0.02 0.02) = 0.174% HB3 GLU- 75 - HN LYS+ 81 4.167% * 0.1735% (0.16 0.02 0.02) = 0.173% HB3 GLU- 45 - HN THR 106 4.167% * 0.1640% (0.15 0.02 0.02) = 0.164% HG3 PRO 104 - HN LYS+ 81 4.167% * 0.1556% (0.14 0.02 0.02) = 0.156% HB3 GLU- 54 - HN LYS+ 81 4.167% * 0.1224% (0.11 0.02 0.02) = 0.122% Reference assignment not found: HB VAL 105 - HN THR 106 Peak 707 (1.66, 8.24, 118.98 ppm): 16 chemical-shift based assignments, quality = 0.726, support = 4.76, residual support = 43.0: O HB3 LYS+ 81 - HN LYS+ 81 6.250% * 87.4591% (0.75 10.0 5.26 49.00) = 87.459% kept HB3 LYS+ 81 - HN THR 106 6.250% * 6.2780% (0.65 1.0 1.66 1.85) = 6.278% kept HB3 ARG+ 22 - HN LYS+ 81 6.250% * 4.0050% (0.54 1.0 1.26 0.02) = 4.005% kept HB3 LYS+ 66 - HN LYS+ 81 6.250% * 1.4017% (0.89 1.0 0.27 0.02) = 1.402% kept HB ILE 100 - HN LYS+ 81 6.250% * 0.1047% (0.89 1.0 0.02 0.02) = 0.105% HB3 MET 97 - HN LYS+ 81 6.250% * 0.1026% (0.87 1.0 0.02 0.02) = 0.103% * HG3 ARG+ 84 - HN LYS+ 81 6.250% * 0.0908% (0.77 1.0 0.02 0.56) = 0.091% HB ILE 100 - HN THR 106 6.250% * 0.0907% (0.77 1.0 0.02 0.02) = 0.091% HB3 LYS+ 66 - HN THR 106 6.250% * 0.0905% (0.77 1.0 0.02 0.02) = 0.090% HB3 MET 97 - HN THR 106 6.250% * 0.0889% (0.76 1.0 0.02 0.02) = 0.089% HG3 ARG+ 84 - HN THR 106 6.250% * 0.0787% (0.67 1.0 0.02 0.02) = 0.079% HB3 ARG+ 22 - HN THR 106 6.250% * 0.0550% (0.47 1.0 0.02 0.02) = 0.055% HD3 LYS+ 55 - HN LYS+ 81 6.250% * 0.0469% (0.40 1.0 0.02 0.02) = 0.047% HD3 LYS+ 55 - HN THR 106 6.250% * 0.0407% (0.35 1.0 0.02 0.02) = 0.041% HG13 ILE 19 - HN LYS+ 81 6.250% * 0.0357% (0.30 1.0 0.02 0.02) = 0.036% HG13 ILE 19 - HN THR 106 6.250% * 0.0309% (0.26 1.0 0.02 0.02) = 0.031% Reference assignment eliminated. 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 = 0.756, support = 3.02, residual support = 9.22: * HN VAL 47 - HN THR 46 14.286% * 45.9442% (0.92 4.30 15.34) = 45.944% kept QD PHE 34 - HN THR 46 14.286% * 22.2130% (0.87 2.21 5.18) = 22.213% kept QE PHE 34 - HN THR 46 14.286% * 10.2586% (0.41 2.15 5.18) = 10.259% kept HZ PHE 34 - HN THR 46 14.286% * 9.4028% (0.41 1.97 5.18) = 9.403% kept HN ILE 48 - HN THR 46 14.286% * 8.8093% (0.53 1.45 0.02) = 8.809% kept HZ2 TRP 51 - HN THR 46 14.286% * 3.1529% (0.41 0.66 0.02) = 3.153% kept HN ARG+ 84 - HN THR 46 14.286% * 0.2191% (0.94 0.02 0.02) = 0.219% Peak 710 (4.51, 7.79, 118.77 ppm): 5 chemical-shift based assignments, quality = 0.832, support = 3.99, residual support = 20.4: * O HB THR 46 - HN THR 46 20.000% * 99.7727% (0.83 10.0 4.00 20.50) = 99.773% kept HB THR 79 - HN THR 46 20.000% * 0.1103% (0.92 1.0 0.02 0.02) = 0.110% HA SER 77 - HN THR 46 20.000% * 0.0724% (0.61 1.0 0.02 0.02) = 0.072% HA ALA 103 - HN THR 46 20.000% * 0.0236% (0.20 1.0 0.02 0.40) = 0.024% HA LYS+ 32 - HN THR 46 20.000% * 0.0209% (0.17 1.0 0.02 0.02) = 0.021% Peak 711 (8.21, 7.79, 118.77 ppm): 9 chemical-shift based assignments, quality = 0.975, support = 3.91, residual support = 13.3: * T HN GLU- 45 - HN THR 46 11.111% * 89.6081% (0.99 10.00 4.24 14.78) = 89.608% kept HN ALA 11 - HN THR 46 11.111% * 4.8788% (0.96 1.00 1.12 0.11) = 4.879% kept HN VAL 105 - HN THR 46 11.111% * 4.3163% (0.87 1.00 1.10 0.44) = 4.316% kept HN SER 49 - HN THR 46 11.111% * 1.0242% (0.31 1.00 0.73 0.02) = 1.024% kept HN VAL 94 - HN THR 46 11.111% * 0.0755% (0.83 1.00 0.02 0.02) = 0.076% HN ALA 33 - HN THR 46 11.111% * 0.0548% (0.61 1.00 0.02 0.32) = 0.055% HN GLY 58 - HN THR 46 11.111% * 0.0179% (0.20 1.00 0.02 0.02) = 0.018% HN LEU 67 - HN THR 46 11.111% * 0.0122% (0.14 1.00 0.02 0.02) = 0.012% HN LYS+ 81 - HN THR 46 11.111% * 0.0122% (0.14 1.00 0.02 2.59) = 0.012% Peak 712 (4.10, 7.79, 118.77 ppm): 5 chemical-shift based assignments, quality = 0.651, support = 3.66, residual support = 19.7: * O HA THR 46 - HN THR 46 20.000% * 96.3452% (0.65 10.0 3.79 20.50) = 96.345% kept HB3 SER 49 - HN THR 46 20.000% * 1.9385% (0.75 1.0 0.35 0.02) = 1.938% kept HA LYS+ 63 - HN THR 46 20.000% * 1.4346% (0.96 1.0 0.20 0.02) = 1.435% kept HA ALA 70 - HN THR 46 20.000% * 0.1409% (0.94 1.0 0.02 0.02) = 0.141% HA THR 24 - HN THR 46 20.000% * 0.1409% (0.94 1.0 0.02 0.02) = 0.141% Peak 713 (2.07, 7.79, 118.77 ppm): 9 chemical-shift based assignments, quality = 0.335, support = 2.44, residual support = 7.16: * HB2 GLU- 45 - HN THR 46 11.111% * 46.8304% (0.31 3.79 14.78) = 46.830% kept HG3 GLU- 64 - HN THR 46 11.111% * 26.4871% (0.53 1.25 0.16) = 26.487% kept HB3 PRO 35 - HN THR 46 11.111% * 15.2539% (0.22 1.73 1.16) = 15.254% kept HG2 GLU- 64 - HN THR 46 11.111% * 7.3962% (0.19 0.96 0.16) = 7.396% kept HB VAL 65 - HN THR 46 11.111% * 1.5832% (0.20 0.20 0.02) = 1.583% kept HB ILE 101 - HN THR 46 11.111% * 0.7997% (1.00 0.02 0.02) = 0.800% HB VAL 62 - HN THR 46 11.111% * 0.7735% (0.96 0.02 0.02) = 0.774% HB3 GLU- 75 - HN THR 46 11.111% * 0.7399% (0.92 0.02 0.02) = 0.740% HA1 GLY 58 - HN THR 46 11.111% * 0.1360% (0.17 0.02 0.02) = 0.136% Peak 714 (2.22, 7.79, 118.77 ppm): 14 chemical-shift based assignments, quality = 0.839, support = 1.82, residual support = 1.19: HB2 GLU- 50 - HN THR 46 7.143% * 41.0306% (1.00 2.76 2.01) = 41.031% kept HB3 PRO 35 - HN THR 46 7.143% * 20.9713% (0.81 1.73 1.16) = 20.971% kept HG2 GLU- 64 - HN THR 46 7.143% * 12.6996% (0.89 0.96 0.16) = 12.700% kept HG3 GLU- 64 - HN THR 46 7.143% * 10.8435% (0.58 1.25 0.16) = 10.843% kept HB3 PRO 52 - HN THR 46 7.143% * 5.0819% (0.87 0.39 0.02) = 5.082% kept HG3 GLU- 56 - HN THR 46 7.143% * 3.9365% (0.45 0.59 1.20) = 3.937% kept HG2 GLU- 56 - HN THR 46 7.143% * 3.1324% (0.34 0.62 1.20) = 3.132% kept HG3 GLN 102 - HN THR 46 7.143% * 1.2268% (0.96 0.09 0.02) = 1.227% kept HG3 GLU- 18 - HN THR 46 7.143% * 0.2974% (1.00 0.02 0.02) = 0.297% HG3 MET 97 - HN THR 46 7.143% * 0.2877% (0.96 0.02 0.02) = 0.288% HG3 GLN 16 - HN THR 46 7.143% * 0.1928% (0.65 0.02 0.02) = 0.193% HA1 GLY 58 - HN THR 46 7.143% * 0.1133% (0.38 0.02 0.02) = 0.113% HG3 GLU- 10 - HN THR 46 7.143% * 0.1119% (0.37 0.02 0.02) = 0.112% HB3 ASN 15 - HN THR 46 7.143% * 0.0743% (0.25 0.02 0.02) = 0.074% Peak 715 (1.31, 7.79, 118.77 ppm): 5 chemical-shift based assignments, quality = 0.75, support = 3.34, residual support = 15.9: * QG2 THR 46 - HN THR 46 20.000% * 76.8529% (0.76 4.21 20.50) = 76.853% kept QB ALA 103 - HN THR 46 20.000% * 11.1502% (0.94 0.49 0.40) = 11.150% kept HB2 LYS+ 55 - HN THR 46 20.000% * 5.9268% (0.73 0.34 0.85) = 5.927% kept HG13 ILE 101 - HN THR 46 20.000% * 3.2149% (0.28 0.48 0.02) = 3.215% kept HG2 LYS+ 81 - HN THR 46 20.000% * 2.8552% (0.22 0.54 2.59) = 2.855% kept Peak 716 (3.87, 7.79, 118.77 ppm): 7 chemical-shift based assignments, quality = 0.98, support = 3.98, residual support = 14.4: O HA GLU- 45 - HN THR 46 14.286% * 96.8684% (0.99 10.0 4.09 14.78) = 96.868% kept HD3 PRO 35 - HN THR 46 14.286% * 2.7084% (0.73 1.0 0.76 1.16) = 2.708% kept HB3 SER 27 - HN THR 46 14.286% * 0.0975% (1.00 1.0 0.02 0.02) = 0.098% HB3 SER 77 - HN THR 46 14.286% * 0.0925% (0.95 1.0 0.02 0.02) = 0.092% HB2 SER 85 - HN THR 46 14.286% * 0.0902% (0.92 1.0 0.02 0.02) = 0.090% HB3 SER 88 - HN THR 46 14.286% * 0.0877% (0.90 1.0 0.02 0.02) = 0.088% HD2 PRO 86 - HN THR 46 14.286% * 0.0553% (0.57 1.0 0.02 0.02) = 0.055% Reference assignment not found: HA LYS+ 44 - HN THR 46 Peak 717 (3.70, 8.24, 118.99 ppm): 8 chemical-shift based assignments, quality = 0.868, support = 4.72, residual support = 43.4: * O HA LYS+ 81 - HN LYS+ 81 12.500% * 88.0977% (0.88 10.0 5.11 49.00) = 88.098% kept HA LYS+ 81 - HN THR 106 12.500% * 8.7900% (0.77 1.0 2.29 1.85) = 8.790% kept HB3 SER 69 - HN LYS+ 81 12.500% * 2.7800% (0.79 1.0 0.70 0.80) = 2.780% kept HB2 TRP 51 - HN LYS+ 81 12.500% * 0.0873% (0.88 1.0 0.02 0.02) = 0.087% HB2 TRP 51 - HN THR 106 12.500% * 0.0761% (0.76 1.0 0.02 0.02) = 0.076% HB3 SER 69 - HN THR 106 12.500% * 0.0689% (0.69 1.0 0.02 0.02) = 0.069% HD2 PRO 52 - HN LYS+ 81 12.500% * 0.0534% (0.54 1.0 0.02 0.02) = 0.053% HD2 PRO 52 - HN THR 106 12.500% * 0.0466% (0.47 1.0 0.02 0.02) = 0.047% Peak 718 (1.62, 8.24, 118.99 ppm): 14 chemical-shift based assignments, quality = 0.71, support = 0.775, residual support = 0.295: * HG3 LYS+ 78 - HN LYS+ 81 7.143% * 20.0415% (0.88 0.85 0.11) = 20.042% kept HG LEU 23 - HN LYS+ 81 7.143% * 16.6019% (0.74 0.84 0.14) = 16.602% kept HB ILE 68 - HN THR 106 7.143% * 16.2484% (0.71 0.86 0.80) = 16.248% kept HG LEU 43 - HN LYS+ 81 7.143% * 14.0244% (0.82 0.65 0.11) = 14.024% kept HG12 ILE 101 - HN LYS+ 81 7.143% * 12.1634% (0.79 0.58 0.10) = 12.163% kept HD3 LYS+ 32 - HN LYS+ 81 7.143% * 10.9409% (0.43 0.95 0.82) = 10.941% kept HG3 LYS+ 78 - HN THR 106 7.143% * 4.1818% (0.77 0.20 0.02) = 4.182% kept HB3 ARG+ 22 - HN LYS+ 81 7.143% * 4.0183% (0.12 1.26 0.02) = 4.018% kept HB ILE 68 - HN LYS+ 81 7.143% * 0.4346% (0.82 0.02 0.02) = 0.435% HG LEU 43 - HN THR 106 7.143% * 0.3788% (0.71 0.02 0.02) = 0.379% HG12 ILE 101 - HN THR 106 7.143% * 0.3680% (0.69 0.02 0.02) = 0.368% HG LEU 23 - HN THR 106 7.143% * 0.3428% (0.64 0.02 0.02) = 0.343% HD3 LYS+ 32 - HN THR 106 7.143% * 0.1997% (0.37 0.02 0.02) = 0.200% HB3 ARG+ 22 - HN THR 106 7.143% * 0.0555% (0.10 0.02 0.02) = 0.056% Peak 719 (7.54, 8.24, 118.99 ppm): 4 chemical-shift based assignments, quality = 0.645, support = 3.22, residual support = 9.29: * T HN ASP- 82 - HN LYS+ 81 25.000% * 64.9272% (0.68 10.00 4.29 13.94) = 64.927% kept T HN ASP- 82 - HN THR 106 25.000% * 35.0450% (0.59 10.00 1.24 0.68) = 35.045% kept HN VAL 65 - HN LYS+ 81 25.000% * 0.0149% (0.15 1.00 0.02 0.02) = 0.015% HN VAL 65 - HN THR 106 25.000% * 0.0130% (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 = 0.487, support = 3.28, residual support = 7.6: * T HN VAL 80 - HN LYS+ 81 16.667% * 51.1712% (0.50 10.00 4.73 12.37) = 51.171% kept T HN VAL 80 - HN THR 106 16.667% * 44.5591% (0.47 10.00 1.85 2.83) = 44.559% kept HN VAL 73 - HN LYS+ 81 16.667% * 2.7137% (0.64 1.00 0.83 0.34) = 2.714% kept HN VAL 73 - HN THR 106 16.667% * 1.4638% (0.60 1.00 0.47 0.02) = 1.464% kept HN THR 39 - HN LYS+ 81 16.667% * 0.0476% (0.46 1.00 0.02 0.02) = 0.048% HN THR 39 - HN THR 106 16.667% * 0.0447% (0.43 1.00 0.02 0.02) = 0.045% Peak 725 (7.20, 8.34, 118.74 ppm): 2 chemical-shift based assignments, quality = 0.913, support = 2.99, residual support = 7.48: * HN TRP 51 - HN GLU- 50 50.000% * 62.0235% (0.91 3.51 7.48) = 62.023% kept HH2 TRP 51 - HN GLU- 50 50.000% * 37.9765% (0.91 2.15 7.48) = 37.977% kept Peak 726 (2.35, 8.34, 118.74 ppm): 6 chemical-shift based assignments, quality = 0.582, support = 3.19, residual support = 17.7: O HB3 GLU- 50 - HN GLU- 50 16.667% * 58.3464% (0.37 10.0 2.97 19.56) = 58.346% kept * HG3 GLU- 50 - HN GLU- 50 16.667% * 31.2346% (0.94 1.0 4.25 19.56) = 31.235% kept HA1 GLY 58 - HN GLU- 50 16.667% * 7.6603% (0.63 1.0 1.54 1.69) = 7.660% kept HB3 PRO 35 - HN GLU- 50 16.667% * 2.7001% (0.93 1.0 0.37 0.02) = 2.700% kept HB2 TYR 83 - HN GLU- 50 16.667% * 0.0346% (0.22 1.0 0.02 0.02) = 0.035% HB2 LYS+ 78 - HN GLU- 50 16.667% * 0.0240% (0.15 1.0 0.02 0.02) = 0.024% Peak 727 (1.73, 8.34, 118.74 ppm): 4 chemical-shift based assignments, quality = 0.805, support = 1.39, residual support = 1.36: HB ILE 48 - HN GLU- 50 25.000% * 65.5659% (0.89 1.79 1.29) = 65.566% kept HB3 LEU 23 - HN GLU- 50 25.000% * 22.2016% (0.76 0.71 2.11) = 22.202% kept HB2 LEU 17 - HN GLU- 50 25.000% * 10.1245% (0.44 0.55 0.48) = 10.124% kept HB2 GLN 16 - HN GLU- 50 25.000% * 2.1081% (0.52 0.10 0.02) = 2.108% kept 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 = 0.959, support = 3.53, residual support = 17.7: * O HB2 GLU- 50 - HN GLU- 50 7.143% * 90.0674% (0.99 10.0 3.84 19.56) = 90.067% kept HG3 GLU- 18 - HN GLU- 50 7.143% * 2.6910% (0.98 1.0 0.60 0.02) = 2.691% kept HA1 GLY 58 - HN GLU- 50 7.143% * 2.6158% (0.37 1.0 1.54 1.69) = 2.616% kept HB3 PRO 52 - HN GLU- 50 7.143% * 2.5523% (0.83 1.0 0.68 0.02) = 2.552% kept HB3 PRO 35 - HN GLU- 50 7.143% * 1.3474% (0.80 1.0 0.37 0.02) = 1.347% kept HG3 GLN 16 - HN GLU- 50 7.143% * 0.3031% (0.68 1.0 0.10 0.02) = 0.303% HG3 MET 97 - HN GLU- 50 7.143% * 0.0883% (0.97 1.0 0.02 0.02) = 0.088% HG3 GLN 102 - HN GLU- 50 7.143% * 0.0852% (0.94 1.0 0.02 0.02) = 0.085% HG2 GLU- 64 - HN GLU- 50 7.143% * 0.0808% (0.89 1.0 0.02 0.02) = 0.081% HG3 GLU- 64 - HN GLU- 50 7.143% * 0.0530% (0.58 1.0 0.02 0.02) = 0.053% HG3 GLU- 56 - HN GLU- 50 7.143% * 0.0370% (0.41 1.0 0.02 0.02) = 0.037% HG3 GLU- 10 - HN GLU- 50 7.143% * 0.0307% (0.34 1.0 0.02 0.02) = 0.031% HG2 GLU- 56 - HN GLU- 50 7.143% * 0.0278% (0.31 1.0 0.02 0.02) = 0.028% HB3 ASN 15 - HN GLU- 50 7.143% * 0.0201% (0.22 1.0 0.02 0.02) = 0.020% Peak 729 (4.46, 8.34, 118.74 ppm): 5 chemical-shift based assignments, quality = 0.952, support = 3.47, residual support = 19.5: * O HA GLU- 50 - HN GLU- 50 20.000% * 99.7715% (0.95 10.0 3.48 19.56) = 99.771% kept HA ILE 100 - HN GLU- 50 20.000% * 0.0828% (0.79 1.0 0.02 0.24) = 0.083% HA GLN 102 - HN GLU- 50 20.000% * 0.0828% (0.79 1.0 0.02 0.02) = 0.083% HA LYS+ 32 - HN GLU- 50 20.000% * 0.0425% (0.41 1.0 0.02 0.02) = 0.043% HB THR 24 - HN GLU- 50 20.000% * 0.0205% (0.20 1.0 0.02 0.02) = 0.020% Peak 730 (3.96, 8.34, 118.74 ppm): 2 chemical-shift based assignments, quality = 0.441, support = 0.975, residual support = 1.7: HA LEU 74 - HN GLU- 50 50.000% * 98.7585% (0.44 0.99 1.72) = 98.759% kept HA1 GLY 92 - HN GLU- 50 50.000% * 1.2415% (0.27 0.02 0.02) = 1.241% kept 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): 5 chemical-shift based assignments, quality = 0.776, support = 2.1, residual support = 5.47: * HB2 SER 49 - HN GLU- 50 20.000% * 62.6546% (0.97 2.01 5.55) = 62.655% kept HB3 SER 49 - HN GLU- 50 20.000% * 35.7862% (0.47 2.35 5.55) = 35.786% kept HA THR 24 - HN GLU- 50 20.000% * 0.8101% (0.22 0.11 0.02) = 0.810% HB THR 38 - HN GLU- 50 20.000% * 0.5319% (0.83 0.02 0.02) = 0.532% HB3 SER 85 - HN GLU- 50 20.000% * 0.2172% (0.34 0.02 0.02) = 0.217% Peak 733 (1.52, 8.24, 118.79 ppm): 9 chemical-shift based assignments, quality = 0.587, support = 0.544, residual support = 0.104: HG3 LYS+ 72 - HN LYS+ 81 11.111% * 41.7384% (0.77 0.67 0.02) = 41.738% kept HG3 LYS+ 72 - HN THR 106 11.111% * 21.3675% (0.49 0.54 0.23) = 21.367% kept HB2 LYS+ 72 - HN THR 106 11.111% * 19.3257% (0.43 0.55 0.23) = 19.326% kept HB2 LYS+ 72 - HN LYS+ 81 11.111% * 11.4499% (0.68 0.21 0.02) = 11.450% kept HG3 LYS+ 72 - HN GLU- 45 11.111% * 2.2019% (0.05 0.53 0.02) = 2.202% kept HB2 LYS+ 72 - HN GLU- 45 11.111% * 1.8696% (0.04 0.51 0.02) = 1.870% kept HD3 LYS+ 108 - HN LYS+ 81 11.111% * 0.9334% (0.57 0.02 0.02) = 0.933% HD3 LYS+ 108 - HN THR 106 11.111% * 0.5956% (0.36 0.02 0.02) = 0.596% HD3 LYS+ 108 - HN GLU- 45 11.111% * 0.5179% (0.04 0.17 0.02) = 0.518% Reference assignment not found: QG2 VAL 80 - HN LYS+ 81 Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 734 (4.50, 8.23, 118.79 ppm): 18 chemical-shift based assignments, quality = 0.629, support = 1.85, residual support = 1.98: HB THR 79 - HN LYS+ 81 5.556% * 58.4492% (0.79 2.44 1.99) = 58.449% kept HA LYS+ 32 - HN LYS+ 81 5.556% * 13.4783% (0.49 0.92 0.82) = 13.478% kept HB THR 79 - HN THR 106 5.556% * 12.8656% (0.40 1.05 0.39) = 12.866% kept HB THR 46 - HN LYS+ 81 5.556% * 9.2279% (0.32 0.95 2.59) = 9.228% kept * HB THR 46 - HN GLU- 45 5.556% * 2.8280% (0.03 2.87 14.78) = 2.828% kept HA SER 77 - HN LYS+ 81 5.556% * 2.1397% (0.84 0.08 0.02) = 2.140% kept HA SER 77 - HN THR 106 5.556% * 0.2596% (0.43 0.02 0.02) = 0.260% HA LYS+ 32 - HN THR 106 5.556% * 0.1499% (0.25 0.02 0.02) = 0.150% HA GLN 102 - HN LYS+ 81 5.556% * 0.1157% (0.19 0.02 0.02) = 0.116% HA ILE 100 - HN LYS+ 81 5.556% * 0.1157% (0.19 0.02 0.02) = 0.116% HB THR 46 - HN THR 106 5.556% * 0.0994% (0.16 0.02 0.02) = 0.099% HA ILE 100 - HN THR 106 5.556% * 0.0590% (0.10 0.02 0.02) = 0.059% HA GLN 102 - HN THR 106 5.556% * 0.0590% (0.10 0.02 0.02) = 0.059% HA SER 77 - HN GLU- 45 5.556% * 0.0514% (0.08 0.02 0.02) = 0.051% HB THR 79 - HN GLU- 45 5.556% * 0.0484% (0.08 0.02 0.02) = 0.048% HA LYS+ 32 - HN GLU- 45 5.556% * 0.0297% (0.05 0.02 0.02) = 0.030% HA ILE 100 - HN GLU- 45 5.556% * 0.0117% (0.02 0.02 0.02) = 0.012% HA GLN 102 - HN GLU- 45 5.556% * 0.0117% (0.02 0.02 0.02) = 0.012% Peak 735 (2.25, 8.24, 118.79 ppm): 48 chemical-shift based assignments, quality = 0.412, support = 2.43, residual support = 5.43: * HB VAL 80 - HN LYS+ 81 2.083% * 35.2869% (0.36 4.64 12.37) = 35.287% kept HG3 GLU- 107 - HN THR 106 2.083% * 15.4263% (0.47 1.56 3.17) = 15.426% kept HB VAL 80 - HN THR 106 2.083% * 13.6934% (0.23 2.82 2.83) = 13.693% kept HB3 ASN 15 - HN LYS+ 81 2.083% * 8.4023% (0.87 0.46 0.84) = 8.402% kept HB3 ASN 15 - HN THR 106 2.083% * 6.8318% (0.55 0.59 1.42) = 6.832% kept HB3 PRO 35 - HN LYS+ 81 2.083% * 5.9883% (0.80 0.36 0.02) = 5.988% kept HA1 GLY 58 - HN LYS+ 81 2.083% * 5.4188% (0.38 0.68 0.02) = 5.419% kept HG2 GLU- 64 - HN GLU- 45 2.083% * 1.6665% (0.04 2.06 1.10) = 1.666% kept HB3 PRO 35 - HN GLU- 45 2.083% * 0.9795% (0.05 0.88 1.17) = 0.980% HG3 GLU- 64 - HN GLU- 45 2.083% * 0.5492% (0.02 1.29 1.10) = 0.549% HG2 GLU- 56 - HN GLU- 45 2.083% * 0.3757% (0.05 0.33 0.02) = 0.376% HG3 GLU- 56 - HN GLU- 45 2.083% * 0.3603% (0.05 0.35 0.02) = 0.360% HG2 GLU- 56 - HN LYS+ 81 2.083% * 0.3418% (0.82 0.02 0.02) = 0.342% HG3 GLU- 10 - HN LYS+ 81 2.083% * 0.3321% (0.79 0.02 0.02) = 0.332% HG3 GLU- 56 - HN LYS+ 81 2.083% * 0.3093% (0.74 0.02 0.02) = 0.309% HG3 GLU- 107 - HN LYS+ 81 2.083% * 0.3093% (0.74 0.02 0.02) = 0.309% HG3 GLU- 54 - HN LYS+ 81 2.083% * 0.2830% (0.68 0.02 0.02) = 0.283% HG3 GLU- 54 - HN GLU- 45 2.083% * 0.2680% (0.04 0.29 0.02) = 0.268% HG2 GLU- 64 - HN LYS+ 81 2.083% * 0.2437% (0.58 0.02 0.02) = 0.244% HA1 GLY 58 - HN GLU- 45 2.083% * 0.2266% (0.03 0.43 0.02) = 0.227% HG2 GLU- 56 - HN THR 106 2.083% * 0.2181% (0.52 0.02 0.02) = 0.218% HB VAL 80 - HN GLU- 45 2.083% * 0.2149% (0.02 0.43 0.35) = 0.215% HB3 PRO 35 - HN THR 106 2.083% * 0.2147% (0.51 0.02 0.02) = 0.215% HG3 GLU- 10 - HN THR 106 2.083% * 0.2119% (0.51 0.02 0.02) = 0.212% HG3 GLU- 56 - HN THR 106 2.083% * 0.1973% (0.47 0.02 0.02) = 0.197% HG3 GLU- 54 - HN THR 106 2.083% * 0.1806% (0.43 0.02 0.02) = 0.181% HG2 GLU- 64 - HN THR 106 2.083% * 0.1555% (0.37 0.02 0.02) = 0.155% HB3 PRO 52 - HN LYS+ 81 2.083% * 0.1522% (0.36 0.02 0.02) = 0.152% HG3 GLU- 64 - HN LYS+ 81 2.083% * 0.1283% (0.31 0.02 0.02) = 0.128% HG3 GLU- 75 - HN LYS+ 81 2.083% * 0.1263% (0.30 0.02 0.02) = 0.126% HG3 GLN 102 - HN LYS+ 81 2.083% * 0.1029% (0.25 0.02 0.02) = 0.103% HA1 GLY 58 - HN THR 106 2.083% * 0.1018% (0.24 0.02 0.02) = 0.102% HB3 PRO 52 - HN THR 106 2.083% * 0.0971% (0.23 0.02 0.02) = 0.097% HG3 GLU- 107 - HN GLU- 45 2.083% * 0.0838% (0.05 0.08 0.02) = 0.084% HG3 GLU- 64 - HN THR 106 2.083% * 0.0819% (0.20 0.02 0.02) = 0.082% HG3 GLU- 75 - HN THR 106 2.083% * 0.0806% (0.19 0.02 0.02) = 0.081% HG3 GLU- 18 - HN LYS+ 81 2.083% * 0.0733% (0.17 0.02 0.02) = 0.073% HG3 GLN 102 - HN THR 106 2.083% * 0.0657% (0.16 0.02 0.02) = 0.066% HB2 GLU- 50 - HN LYS+ 81 2.083% * 0.0571% (0.14 0.02 0.02) = 0.057% HG3 GLU- 18 - HN THR 106 2.083% * 0.0468% (0.11 0.02 0.02) = 0.047% HB2 GLU- 50 - HN THR 106 2.083% * 0.0365% (0.09 0.02 0.02) = 0.036% HB3 ASN 15 - HN GLU- 45 2.083% * 0.0241% (0.06 0.02 0.02) = 0.024% HG3 GLU- 10 - HN GLU- 45 2.083% * 0.0220% (0.05 0.02 0.02) = 0.022% HB3 PRO 52 - HN GLU- 45 2.083% * 0.0101% (0.02 0.02 0.02) = 0.010% HG3 GLU- 75 - HN GLU- 45 2.083% * 0.0084% (0.02 0.02 0.02) = 0.008% HG3 GLN 102 - HN GLU- 45 2.083% * 0.0068% (0.02 0.02 0.02) = 0.007% HG3 GLU- 18 - HN GLU- 45 2.083% * 0.0049% (0.01 0.02 0.58) = 0.005% HB2 GLU- 50 - HN GLU- 45 2.083% * 0.0038% (0.01 0.02 5.30) = 0.004% Peak 737 (2.48, 8.24, 118.79 ppm): 15 chemical-shift based assignments, quality = 0.49, support = 1.23, residual support = 8.3: HA1 GLY 58 - HN LYS+ 81 6.667% * 46.7600% (0.77 0.68 0.02) = 46.760% kept HG3 GLU- 45 - HN GLU- 45 6.667% * 14.7747% (0.03 5.34 55.69) = 14.775% kept HB3 PRO 35 - HN LYS+ 81 6.667% * 12.6517% (0.40 0.36 0.02) = 12.652% kept HG3 GLU- 45 - HN LYS+ 81 6.667% * 9.9152% (0.46 0.24 0.02) = 9.915% kept HG3 GLU- 45 - HN THR 106 6.667% * 3.5340% (0.30 0.13 0.02) = 3.534% kept HG3 PRO 35 - HN GLU- 45 6.667% * 2.8633% (0.04 0.75 1.17) = 2.863% kept HB3 PRO 35 - HN GLU- 45 6.667% * 2.0695% (0.03 0.88 1.17) = 2.069% kept HA1 GLY 58 - HN GLU- 45 6.667% * 1.9554% (0.05 0.43 0.02) = 1.955% kept HB VAL 40 - HN LYS+ 81 6.667% * 1.3247% (0.74 0.02 0.02) = 1.325% kept HG3 PRO 35 - HN LYS+ 81 6.667% * 1.1516% (0.64 0.02 0.02) = 1.152% kept HA1 GLY 58 - HN THR 106 6.667% * 0.8782% (0.49 0.02 0.02) = 0.878% HB VAL 40 - HN THR 106 6.667% * 0.8453% (0.47 0.02 0.02) = 0.845% HG3 PRO 35 - HN THR 106 6.667% * 0.7348% (0.41 0.02 0.02) = 0.735% HB3 PRO 35 - HN THR 106 6.667% * 0.4537% (0.25 0.02 0.02) = 0.454% HB VAL 40 - HN GLU- 45 6.667% * 0.0878% (0.05 0.02 0.02) = 0.088% Reference assignment not found: HB3 LYS+ 81 - HN LYS+ 81 Peak 739 (0.94, 8.25, 118.79 ppm): 20 chemical-shift based assignments, quality = 0.583, support = 2.28, residual support = 4.74: * QG1 VAL 105 - HN THR 106 5.000% * 25.3969% (0.72 2.50 3.57) = 25.397% kept QG2 VAL 105 - HN THR 106 5.000% * 25.0842% (0.71 2.49 3.57) = 25.084% kept QG2 VAL 80 - HN LYS+ 81 5.000% * 20.9329% (0.42 3.56 12.37) = 20.933% kept QG2 VAL 80 - HN THR 106 5.000% * 10.3801% (0.47 1.58 2.83) = 10.380% kept QG2 VAL 73 - HN LYS+ 81 5.000% * 6.4403% (0.47 0.98 0.34) = 6.440% kept HG12 ILE 68 - HN THR 106 5.000% * 4.6699% (0.60 0.55 0.80) = 4.670% kept QG2 VAL 73 - HN THR 106 5.000% * 3.5190% (0.52 0.48 0.02) = 3.519% kept QG2 VAL 62 - HN LYS+ 81 5.000% * 1.7495% (0.54 0.23 0.02) = 1.749% kept QD1 LEU 17 - HN THR 106 5.000% * 0.2029% (0.72 0.02 0.02) = 0.203% HB2 ARG+ 84 - HN THR 106 5.000% * 0.1993% (0.71 0.02 0.02) = 0.199% QG1 VAL 105 - HN LYS+ 81 5.000% * 0.1815% (0.64 0.02 0.02) = 0.182% QD1 LEU 17 - HN LYS+ 81 5.000% * 0.1811% (0.64 0.02 0.02) = 0.181% QG2 VAL 105 - HN LYS+ 81 5.000% * 0.1799% (0.64 0.02 0.02) = 0.180% HB2 ARG+ 84 - HN LYS+ 81 5.000% * 0.1779% (0.63 0.02 0.56) = 0.178% QG2 VAL 62 - HN THR 106 5.000% * 0.1698% (0.60 0.02 0.02) = 0.170% HG12 ILE 68 - HN LYS+ 81 5.000% * 0.1516% (0.54 0.02 0.02) = 0.152% QG2 ILE 29 - HN THR 106 5.000% * 0.1397% (0.49 0.02 0.02) = 0.140% QG2 ILE 29 - HN LYS+ 81 5.000% * 0.1247% (0.44 0.02 0.02) = 0.125% QG2 VAL 99 - HN THR 106 5.000% * 0.0627% (0.22 0.02 0.02) = 0.063% QG2 VAL 99 - HN LYS+ 81 5.000% * 0.0560% (0.20 0.02 0.27) = 0.056% 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): 10 chemical-shift based assignments, quality = 0.923, support = 1.24, residual support = 0.641: QG2 ILE 48 - HN VAL 65 10.000% * 40.7978% (0.93 1.70 0.48) = 40.798% kept QG2 ILE 101 - HN VAL 65 10.000% * 31.2731% (1.00 1.21 0.94) = 31.273% kept QG2 THR 96 - HN VAL 65 10.000% * 19.2293% (0.99 0.75 0.78) = 19.229% kept HG LEU 74 - HN VAL 65 10.000% * 4.4533% (0.61 0.28 0.02) = 4.453% kept HG12 ILE 19 - HN VAL 65 10.000% * 3.1708% (0.49 0.25 0.02) = 3.171% kept QD1 ILE 19 - HN VAL 65 10.000% * 0.3138% (0.61 0.02 0.02) = 0.314% QG2 VAL 94 - HN VAL 65 10.000% * 0.2722% (0.53 0.02 0.02) = 0.272% QG2 ILE 68 - HN VAL 65 10.000% * 0.2722% (0.53 0.02 0.02) = 0.272% QG1 VAL 40 - HN VAL 65 10.000% * 0.1152% (0.22 0.02 0.02) = 0.115% QD1 ILE 68 - HN VAL 65 10.000% * 0.1024% (0.20 0.02 0.02) = 0.102% Peak 743 (2.00, 7.57, 118.56 ppm): 11 chemical-shift based assignments, quality = 0.809, support = 1.41, residual support = 1.62: HG2 PRO 86 - HN VAL 65 9.091% * 82.9283% (0.90 1.67 1.95) = 82.928% kept HB2 LYS+ 108 - HN VAL 65 9.091% * 3.9643% (0.73 0.10 0.02) = 3.964% kept HB3 GLU- 54 - HN VAL 65 9.091% * 3.4600% (0.15 0.40 0.02) = 3.460% kept HB2 GLU- 18 - HN VAL 65 9.091% * 3.2063% (0.73 0.08 0.02) = 3.206% kept HB VAL 73 - HN VAL 65 9.091% * 2.8231% (0.20 0.26 0.02) = 2.823% kept HB3 GLU- 75 - HN VAL 65 9.091% * 1.3628% (0.24 0.10 0.02) = 1.363% kept HB2 HIS+ 14 - HN VAL 65 9.091% * 0.9263% (0.83 0.02 0.02) = 0.926% HB3 GLU- 107 - HN VAL 65 9.091% * 0.4972% (0.45 0.02 0.02) = 0.497% HB3 PRO 31 - HN VAL 65 9.091% * 0.3083% (0.28 0.02 0.02) = 0.308% HG3 PRO 104 - HN VAL 65 9.091% * 0.2765% (0.25 0.02 0.02) = 0.277% HB3 GLU- 10 - HN VAL 65 9.091% * 0.2469% (0.22 0.02 0.02) = 0.247% Reference assignment not found: HG2 GLU- 64 - HN VAL 65 Peak 744 (7.39, 7.57, 118.56 ppm): 2 chemical-shift based assignments, quality = 0.911, support = 1.41, residual support = 4.11: * T HN GLU- 64 - HN VAL 65 50.000% * 98.4803% (0.92 10.00 1.42 4.17) = 98.480% kept HE22 GLN 102 - HN VAL 65 50.000% * 1.5197% (0.20 1.00 1.02 0.02) = 1.520% kept Peak 745 (4.19, 7.57, 118.56 ppm): 4 chemical-shift based assignments, quality = 0.773, support = 1.24, residual support = 1.48: HB3 SER 49 - HN VAL 65 25.000% * 86.8071% (0.79 1.41 1.70) = 86.807% kept HA ASP- 82 - HN VAL 65 25.000% * 6.7578% (0.73 0.12 0.02) = 6.758% kept HA VAL 73 - HN VAL 65 25.000% * 6.0027% (0.61 0.13 0.02) = 6.003% kept HA GLU- 12 - HN VAL 65 25.000% * 0.4323% (0.28 0.02 0.02) = 0.432% Reference assignment not found: HA GLU- 64 - HN VAL 65 Peak 746 (4.24, 7.57, 118.56 ppm): 15 chemical-shift based assignments, quality = 0.382, support = 1.46, residual support = 3.55: O HA GLU- 64 - HN VAL 65 6.667% * 78.4233% (0.34 10.0 1.63 4.17) = 78.423% kept HA SER 49 - HN VAL 65 6.667% * 9.0140% (0.80 1.0 0.80 1.70) = 9.014% kept HB3 SER 49 - HN VAL 65 6.667% * 7.6774% (0.39 1.0 1.41 1.70) = 7.677% kept HA LYS+ 108 - HN VAL 65 6.667% * 1.3592% (0.98 1.0 0.10 0.02) = 1.359% kept HA GLU- 18 - HN VAL 65 6.667% * 0.8571% (0.76 1.0 0.08 0.02) = 0.857% HA ASN 76 - HN VAL 65 6.667% * 0.8067% (0.73 1.0 0.08 0.02) = 0.807% HA GLU- 54 - HN VAL 65 6.667% * 0.2761% (0.98 1.0 0.02 0.02) = 0.276% HA GLU- 10 - HN VAL 65 6.667% * 0.2761% (0.98 1.0 0.02 0.02) = 0.276% HA PRO 59 - HN VAL 65 6.667% * 0.2718% (0.96 1.0 0.02 0.02) = 0.272% HA ALA 42 - HN VAL 65 6.667% * 0.2443% (0.87 1.0 0.02 0.02) = 0.244% HA ALA 11 - HN VAL 65 6.667% * 0.2255% (0.80 1.0 0.02 0.02) = 0.226% HA GLU- 107 - HN VAL 65 6.667% * 0.1935% (0.69 1.0 0.02 0.02) = 0.193% HA GLU- 56 - HN VAL 65 6.667% * 0.1822% (0.65 1.0 0.02 0.02) = 0.182% HA GLU- 75 - HN VAL 65 6.667% * 0.1057% (0.37 1.0 0.02 0.02) = 0.106% HA GLU- 12 - HN VAL 65 6.667% * 0.0869% (0.31 1.0 0.02 0.02) = 0.087% Peak 747 (2.10, 7.57, 118.56 ppm): 11 chemical-shift based assignments, quality = 0.905, support = 1.05, residual support = 1.22: * O HB VAL 65 - HN VAL 65 9.091% * 80.6956% (1.00 10.0 1.00 0.79) = 80.696% kept HG3 GLU- 64 - HN VAL 65 9.091% * 8.1293% (0.76 1.0 1.32 4.17) = 8.129% kept HG2 GLU- 64 - HN VAL 65 9.091% * 5.4499% (0.38 1.0 1.79 4.17) = 5.450% kept HB VAL 87 - HN VAL 65 9.091% * 1.8641% (0.53 1.0 0.44 0.02) = 1.864% kept HB ILE 101 - HN VAL 65 9.091% * 1.7955% (0.17 1.0 1.27 0.94) = 1.795% kept HB3 PRO 35 - HN VAL 65 9.091% * 1.0194% (0.30 1.0 0.41 0.02) = 1.019% kept HB3 GLU- 75 - HN VAL 65 9.091% * 0.8209% (1.00 1.0 0.10 0.02) = 0.821% HB3 LEU 43 - HN VAL 65 9.091% * 0.1233% (0.76 1.0 0.02 0.02) = 0.123% HB VAL 105 - HN VAL 65 9.091% * 0.0449% (0.28 1.0 0.02 0.02) = 0.045% HA1 GLY 58 - HN VAL 65 9.091% * 0.0323% (0.20 1.0 0.02 0.02) = 0.032% HG2 GLU- 45 - HN VAL 65 9.091% * 0.0249% (0.15 1.0 0.02 0.02) = 0.025% Peak 748 (2.31, 7.57, 118.56 ppm): 7 chemical-shift based assignments, quality = 0.77, support = 1.59, residual support = 1.91: HB2 PRO 86 - HN VAL 65 14.286% * 40.9187% (0.69 2.10 1.95) = 40.919% kept HB3 PRO 86 - HN VAL 65 14.286% * 37.6253% (0.94 1.40 1.95) = 37.625% kept HB3 PRO 35 - HN VAL 65 14.286% * 11.7565% (1.00 0.41 0.02) = 11.757% kept HG2 GLU- 64 - HN VAL 65 14.286% * 8.9961% (0.18 1.79 4.17) = 8.996% kept HA1 GLY 58 - HN VAL 65 14.286% * 0.3120% (0.55 0.02 0.02) = 0.312% HB2 TYR 83 - HN VAL 65 14.286% * 0.2335% (0.41 0.02 0.02) = 0.234% HB2 LYS+ 44 - HN VAL 65 14.286% * 0.1579% (0.28 0.02 0.02) = 0.158% Reference assignment not found: HG3 GLU- 64 - HN VAL 65 Peak 749 (2.44, 8.21, 118.40 ppm): 3 chemical-shift based assignments, quality = 0.466, support = 3.92, residual support = 38.9: * HG3 GLU- 45 - HN GLU- 45 33.333% * 69.3653% (0.37 5.34 55.69) = 69.365% kept HB3 PRO 35 - HN GLU- 45 33.333% * 18.6991% (0.61 0.88 1.17) = 18.699% kept HA1 GLY 58 - HN GLU- 45 33.333% * 11.9357% (0.80 0.43 0.02) = 11.936% kept Peak 750 (0.94, 8.21, 118.40 ppm): 10 chemical-shift based assignments, quality = 0.78, support = 0.889, residual support = 0.781: QG2 VAL 73 - HN GLU- 45 10.000% * 20.4480% (0.76 1.30 2.08) = 20.448% kept QG2 VAL 105 - HN GLU- 45 10.000% * 19.8891% (0.97 0.98 0.23) = 19.889% kept QG2 VAL 80 - HN GLU- 45 10.000% * 13.5020% (0.60 1.08 0.35) = 13.502% kept QG2 VAL 62 - HN GLU- 45 10.000% * 12.1215% (0.86 0.68 1.13) = 12.122% kept QG2 ILE 29 - HN GLU- 45 10.000% * 11.9957% (0.72 0.80 0.61) = 11.996% kept QG1 VAL 105 - HN GLU- 45 10.000% * 7.4857% (0.99 0.36 0.23) = 7.486% kept QG2 VAL 99 - HN GLU- 45 10.000% * 6.2211% (0.34 0.88 0.53) = 6.221% kept HG12 ILE 68 - HN GLU- 45 10.000% * 5.8375% (0.79 0.35 0.02) = 5.838% kept QD1 LEU 17 - HN GLU- 45 10.000% * 2.1009% (0.98 0.10 0.02) = 2.101% kept HB2 ARG+ 84 - HN GLU- 45 10.000% * 0.3984% (0.95 0.02 0.02) = 0.398% Peak 751 (2.26, 8.21, 118.40 ppm): 14 chemical-shift based assignments, quality = 0.598, support = 1.38, residual support = 2.33: HG2 GLU- 64 - HN GLU- 45 7.143% * 28.5416% (0.58 2.06 1.10) = 28.542% kept HB3 PRO 35 - HN GLU- 45 7.143% * 19.3996% (0.92 0.88 1.17) = 19.400% kept HB2 LYS+ 44 - HN GLU- 45 7.143% * 12.2033% (0.15 3.33 13.57) = 12.203% kept HG3 GLU- 64 - HN GLU- 45 7.143% * 8.8847% (0.29 1.29 1.10) = 8.885% kept HB VAL 80 - HN GLU- 45 7.143% * 7.3381% (0.72 0.43 0.35) = 7.338% kept HG3 GLU- 54 - HN GLU- 45 7.143% * 6.6446% (0.97 0.29 0.02) = 6.645% kept HG2 GLU- 56 - HN GLU- 45 7.143% * 5.0902% (0.64 0.33 0.02) = 5.090% kept * HA1 GLY 58 - HN GLU- 45 7.143% * 4.5333% (0.44 0.43 0.02) = 4.533% kept HG3 GLU- 56 - HN GLU- 45 7.143% * 4.3874% (0.52 0.35 0.02) = 4.387% kept HG3 GLU- 107 - HN GLU- 45 7.143% * 1.9364% (0.99 0.08 0.02) = 1.936% kept HB3 ASN 15 - HN GLU- 45 7.143% * 0.3627% (0.76 0.02 0.02) = 0.363% HG3 GLU- 75 - HN GLU- 45 7.143% * 0.3070% (0.64 0.02 0.02) = 0.307% HG3 GLU- 10 - HN GLU- 45 7.143% * 0.2879% (0.60 0.02 0.02) = 0.288% HB3 PRO 52 - HN GLU- 45 7.143% * 0.0831% (0.17 0.02 0.02) = 0.083% Peak 752 (1.49, 8.21, 118.40 ppm): 6 chemical-shift based assignments, quality = 0.723, support = 2.18, residual support = 9.89: HB3 LYS+ 44 - HN GLU- 45 16.667% * 72.8302% (0.76 2.83 13.57) = 72.830% kept HB2 LYS+ 72 - HN GLU- 45 16.667% * 11.8309% (0.68 0.51 0.02) = 11.831% kept HG3 LYS+ 72 - HN GLU- 45 16.667% * 10.1180% (0.56 0.53 0.02) = 10.118% kept HD3 LYS+ 108 - HN GLU- 45 16.667% * 4.5136% (0.79 0.17 0.02) = 4.514% kept QB ALA 70 - HN GLU- 45 16.667% * 0.5393% (0.79 0.02 0.02) = 0.539% HB3 LEU 67 - HN GLU- 45 16.667% * 0.1679% (0.25 0.02 0.12) = 0.168% Peak 753 (7.79, 8.22, 118.40 ppm): 4 chemical-shift based assignments, quality = 0.873, support = 3.54, residual support = 12.0: * T HN THR 46 - HN GLU- 45 25.000% * 80.3609% (0.94 10.00 4.24 14.78) = 80.361% kept T HN ALA 93 - HN GLU- 45 25.000% * 16.9857% (0.61 10.00 0.65 0.59) = 16.986% kept HN LYS+ 55 - HN GLU- 45 25.000% * 1.4457% (0.29 1.00 1.16 0.02) = 1.446% kept HN VAL 87 - HN GLU- 45 25.000% * 1.2078% (0.94 1.00 0.30 0.11) = 1.208% kept Peak 754 (7.90, 8.21, 118.40 ppm): 2 chemical-shift based assignments, quality = 0.711, support = 4.51, residual support = 13.6: * T HN LYS+ 44 - HN GLU- 45 50.000% * 99.9276% (0.71 10.00 4.51 13.57) = 99.928% kept HN LEU 90 - HN GLU- 45 50.000% * 0.0724% (0.52 1.00 0.02 0.02) = 0.072% Peak 755 (2.02, 8.21, 118.40 ppm): 12 chemical-shift based assignments, quality = 0.781, support = 4.7, residual support = 50.2: O HB3 GLU- 45 - HN GLU- 45 8.333% * 74.2409% (0.91 10.0 5.10 55.69) = 74.241% kept * O HB2 GLU- 45 - HN GLU- 45 8.333% * 15.9158% (0.20 10.0 5.47 55.69) = 15.916% kept HB3 PRO 31 - HN GLU- 45 8.333% * 2.2862% (0.99 1.0 0.57 0.02) = 2.286% kept HB3 GLU- 75 - HN GLU- 45 8.333% * 1.4250% (0.44 1.0 0.79 0.02) = 1.425% kept HB3 GLU- 107 - HN GLU- 45 8.333% * 1.3408% (0.93 1.0 0.35 0.02) = 1.341% kept HB2 GLU- 18 - HN GLU- 45 8.333% * 1.3077% (0.72 1.0 0.45 0.58) = 1.308% kept HB3 GLU- 54 - HN GLU- 45 8.333% * 1.1671% (0.93 1.0 0.31 0.02) = 1.167% kept HB3 GLU- 10 - HN GLU- 45 8.333% * 1.0719% (0.98 1.0 0.27 0.02) = 1.072% kept HG3 GLU- 64 - HN GLU- 45 8.333% * 0.9076% (0.17 1.0 1.29 1.10) = 0.908% HG2 PRO 86 - HN GLU- 45 8.333% * 0.2550% (0.52 1.0 0.12 0.02) = 0.255% HB2 HIS+ 14 - HN GLU- 45 8.333% * 0.0488% (0.60 1.0 0.02 0.02) = 0.049% HG3 PRO 86 - HN GLU- 45 8.333% * 0.0331% (0.41 1.0 0.02 0.02) = 0.033% Peak 758 (8.21, 8.22, 118.42 ppm): 1 diagonal assignment: * HN GLU- 45 - HN GLU- 45 (0.95) kept Peak 759 (2.43, 8.22, 118.42 ppm): 2 chemical-shift based assignments, quality = 0.675, support = 0.713, residual support = 0.748: HB3 PRO 35 - HN GLU- 45 50.000% * 63.2198% (0.63 0.88 1.17) = 63.220% kept HA1 GLY 58 - HN GLU- 45 50.000% * 36.7802% (0.75 0.43 0.02) = 36.780% kept Reference assignment not found: HG3 GLU- 45 - HN GLU- 45 Peak 761 (0.93, 8.22, 118.42 ppm): 10 chemical-shift based assignments, quality = 0.74, support = 0.883, residual support = 0.721: QG2 VAL 105 - HN GLU- 45 10.000% * 21.2442% (0.96 0.98 0.23) = 21.244% kept QG2 VAL 73 - HN GLU- 45 10.000% * 18.1222% (0.62 1.30 2.08) = 18.122% kept QG2 VAL 80 - HN GLU- 45 10.000% * 16.9244% (0.69 1.08 0.35) = 16.924% kept QG2 VAL 62 - HN GLU- 45 10.000% * 11.1812% (0.73 0.68 1.13) = 11.181% kept QG2 ILE 29 - HN GLU- 45 10.000% * 10.4904% (0.58 0.80 0.61) = 10.490% kept QG1 VAL 105 - HN GLU- 45 10.000% * 7.7854% (0.95 0.36 0.23) = 7.785% kept HG12 ILE 68 - HN GLU- 45 10.000% * 6.8453% (0.86 0.35 0.02) = 6.845% kept QG2 VAL 99 - HN GLU- 45 10.000% * 4.7614% (0.24 0.88 0.53) = 4.761% kept QD1 LEU 17 - HN GLU- 45 10.000% * 2.2143% (0.95 0.10 0.02) = 2.214% kept HB2 ARG+ 84 - HN GLU- 45 10.000% * 0.4313% (0.95 0.02 0.02) = 0.431% Peak 762 (1.49, 8.22, 118.42 ppm): 7 chemical-shift based assignments, quality = 0.779, support = 2.36, residual support = 10.9: HB3 LYS+ 44 - HN GLU- 45 14.286% * 80.2501% (0.86 2.83 13.57) = 80.250% kept HB2 LYS+ 72 - HN GLU- 45 14.286% * 8.5085% (0.50 0.51 0.02) = 8.509% kept HG3 LYS+ 72 - HN GLU- 45 14.286% * 6.8987% (0.39 0.53 0.02) = 6.899% kept HD3 LYS+ 108 - HN GLU- 45 14.286% * 3.4239% (0.62 0.17 0.02) = 3.424% kept QB ALA 70 - HN GLU- 45 14.286% * 0.5838% (0.88 0.02 0.02) = 0.584% HB3 LEU 67 - HN GLU- 45 14.286% * 0.2373% (0.36 0.02 0.12) = 0.237% HG13 ILE 48 - HN GLU- 45 14.286% * 0.0976% (0.15 0.02 9.41) = 0.098% Peak 763 (4.22, 8.22, 118.42 ppm): 10 chemical-shift based assignments, quality = 0.656, support = 0.977, residual support = 2.2: HA SER 49 - HN GLU- 45 10.000% * 34.8808% (0.69 1.23 3.80) = 34.881% kept HA GLU- 18 - HN GLU- 45 10.000% * 29.6281% (0.73 0.99 0.58) = 29.628% kept * HA ALA 42 - HN GLU- 45 10.000% * 23.6737% (0.62 0.94 1.65) = 23.674% kept HB3 SER 49 - HN GLU- 45 10.000% * 8.1315% (0.55 0.36 3.80) = 8.131% kept HA LYS+ 108 - HN GLU- 45 10.000% * 1.4976% (0.43 0.09 0.02) = 1.498% kept HA GLU- 12 - HN GLU- 45 10.000% * 0.7787% (0.95 0.02 0.02) = 0.779% HA ASP- 82 - HN GLU- 45 10.000% * 0.5361% (0.66 0.02 0.02) = 0.536% HA GLU- 10 - HN GLU- 45 10.000% * 0.3499% (0.43 0.02 0.02) = 0.350% HA GLU- 54 - HN GLU- 45 10.000% * 0.3499% (0.43 0.02 0.02) = 0.350% HA PRO 59 - HN GLU- 45 10.000% * 0.1737% (0.21 0.02 0.02) = 0.174% Peak 764 (2.02, 8.22, 118.42 ppm): 12 chemical-shift based assignments, quality = 0.765, support = 4.76, residual support = 50.8: O HB3 GLU- 45 - HN GLU- 45 8.333% * 71.1200% (0.94 10.0 5.10 55.69) = 71.120% kept * O HB2 GLU- 45 - HN GLU- 45 8.333% * 20.1735% (0.27 10.0 5.47 55.69) = 20.173% kept HB3 PRO 31 - HN GLU- 45 8.333% * 2.0217% (0.94 1.0 0.57 0.02) = 2.022% kept HB3 GLU- 75 - HN GLU- 45 8.333% * 1.3717% (0.46 1.0 0.79 0.02) = 1.372% kept HB3 GLU- 107 - HN GLU- 45 8.333% * 1.1092% (0.83 1.0 0.35 0.02) = 1.109% kept HB3 GLU- 54 - HN GLU- 45 8.333% * 1.1033% (0.95 1.0 0.31 0.02) = 1.103% kept HB2 GLU- 18 - HN GLU- 45 8.333% * 0.9854% (0.58 1.0 0.45 0.58) = 0.985% HB3 GLU- 10 - HN GLU- 45 8.333% * 0.9735% (0.95 1.0 0.27 0.02) = 0.974% HG3 GLU- 64 - HN GLU- 45 8.333% * 0.8883% (0.18 1.0 1.29 1.10) = 0.888% HG2 PRO 86 - HN GLU- 45 8.333% * 0.1798% (0.39 1.0 0.12 0.02) = 0.180% HG3 PRO 86 - HN GLU- 45 8.333% * 0.0382% (0.50 1.0 0.02 0.02) = 0.038% HB2 HIS+ 14 - HN GLU- 45 8.333% * 0.0353% (0.47 1.0 0.02 0.02) = 0.035% Peak 765 (2.25, 8.22, 118.42 ppm): 13 chemical-shift based assignments, quality = 0.64, support = 1.12, residual support = 0.763: HG2 GLU- 64 - HN GLU- 45 7.692% * 33.0037% (0.58 2.06 1.10) = 33.004% kept HB3 PRO 35 - HN GLU- 45 7.692% * 21.6082% (0.88 0.88 1.17) = 21.608% kept HG3 GLU- 64 - HN GLU- 45 7.692% * 10.4198% (0.29 1.29 1.10) = 10.420% kept HB VAL 80 - HN GLU- 45 7.692% * 7.3232% (0.62 0.43 0.35) = 7.323% kept HG3 GLU- 54 - HN GLU- 45 7.692% * 7.1834% (0.90 0.29 0.02) = 7.183% kept HG2 GLU- 56 - HN GLU- 45 7.692% * 6.4006% (0.69 0.33 0.02) = 6.401% kept HG3 GLU- 56 - HN GLU- 45 7.692% * 5.6660% (0.58 0.35 0.02) = 5.666% kept * HA1 GLY 58 - HN GLU- 45 7.692% * 5.0354% (0.42 0.43 0.02) = 5.035% kept HG3 GLU- 107 - HN GLU- 45 7.692% * 2.1310% (0.94 0.08 0.02) = 2.131% kept HB3 ASN 15 - HN GLU- 45 7.692% * 0.4441% (0.80 0.02 0.02) = 0.444% HG3 GLU- 10 - HN GLU- 45 7.692% * 0.3652% (0.66 0.02 0.02) = 0.365% HG3 GLU- 75 - HN GLU- 45 7.692% * 0.3010% (0.54 0.02 0.02) = 0.301% HB3 PRO 52 - HN GLU- 45 7.692% * 0.1184% (0.21 0.02 0.02) = 0.118% Peak 766 (4.14, 8.11, 118.45 ppm): 8 chemical-shift based assignments, quality = 0.858, support = 2.45, residual support = 12.8: * O HB2 SER 88 - HN SER 88 12.500% * 55.4062% (0.94 10.0 2.01 12.89) = 55.406% kept O HA VAL 87 - HN SER 88 12.500% * 44.3659% (0.76 10.0 3.03 12.66) = 44.366% 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% HD2 PRO 59 - HN SER 88 12.500% * 0.0423% (0.72 1.0 0.02 0.02) = 0.042% 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): 8 chemical-shift based assignments, quality = 0.467, support = 3.0, residual support = 10.6: O HB3 SER 88 - HN SER 88 12.500% * 82.3110% (0.39 10.0 3.41 12.89) = 82.311% kept HD2 PRO 86 - HN SER 88 12.500% * 12.9759% (0.92 1.0 1.32 0.10) = 12.976% kept HA GLU- 45 - HN SER 88 12.500% * 3.2197% (0.72 1.0 0.42 0.02) = 3.220% kept HB2 SER 85 - HN SER 88 12.500% * 1.0157% (0.42 1.0 0.23 0.02) = 1.016% kept HD3 PRO 35 - HN SER 88 12.500% * 0.1998% (0.94 1.0 0.02 0.02) = 0.200% HB3 SER 27 - HN SER 88 12.500% * 0.1454% (0.68 1.0 0.02 0.02) = 0.145% HB3 SER 77 - HN SER 88 12.500% * 0.0975% (0.46 1.0 0.02 0.02) = 0.097% HB2 SER 77 - HN SER 88 12.500% * 0.0351% (0.17 1.0 0.02 0.02) = 0.035% Reference assignment not found: HA VAL 87 - HN SER 88 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 = 3.35, residual support = 12.6: * T HN VAL 87 - HN SER 88 25.000% * 99.7904% (0.93 10.00 3.35 12.66) = 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 = 0.889, support = 0.844, residual support = 0.754: HA ASN 15 - HN SER 88 50.000% * 91.7388% (0.94 0.90 0.82) = 91.739% kept HA LEU 23 - HN SER 88 50.000% * 8.2612% (0.29 0.26 0.02) = 8.261% kept Peak 771 (4.39, 8.11, 118.45 ppm): 14 chemical-shift based assignments, quality = 0.846, support = 3.36, residual support = 12.2: * O HA SER 88 - HN SER 88 7.143% * 94.7821% (0.87 10.0 3.49 12.89) = 94.782% kept HA PRO 86 - HN SER 88 7.143% * 3.1377% (0.50 1.0 1.16 0.10) = 3.138% kept HA HIS+ 14 - HN SER 88 7.143% * 1.4415% (0.35 1.0 0.75 1.50) = 1.441% kept HA ASN 57 - HN SER 88 7.143% * 0.0991% (0.91 1.0 0.02 0.02) = 0.099% HA THR 95 - HN SER 88 7.143% * 0.0971% (0.89 1.0 0.02 0.02) = 0.097% HA PRO 104 - HN SER 88 7.143% * 0.0891% (0.82 1.0 0.02 0.02) = 0.089% HA ALA 91 - HN SER 88 7.143% * 0.0858% (0.79 1.0 0.02 0.02) = 0.086% HA SER 27 - HN SER 88 7.143% * 0.0623% (0.57 1.0 0.02 0.02) = 0.062% HA ALA 37 - HN SER 88 7.143% * 0.0581% (0.53 1.0 0.02 0.02) = 0.058% HA LYS+ 60 - HN SER 88 7.143% * 0.0460% (0.42 1.0 0.02 0.02) = 0.046% HA TRP 51 - HN SER 88 7.143% * 0.0422% (0.39 1.0 0.02 0.02) = 0.042% HB THR 61 - HN SER 88 7.143% * 0.0229% (0.21 1.0 0.02 0.02) = 0.023% HA LYS+ 66 - HN SER 88 7.143% * 0.0203% (0.19 1.0 0.02 0.02) = 0.020% HA2 GLY 26 - HN SER 88 7.143% * 0.0158% (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 0.30 Peak unassigned. Peak 773 (0.91, 8.11, 118.45 ppm): 11 chemical-shift based assignments, quality = 0.724, support = 2.43, residual support = 8.39: * QG2 VAL 87 - HN SER 88 9.091% * 66.1950% (0.72 3.42 12.66) = 66.195% kept QG1 VAL 47 - HN SER 88 9.091% * 15.1850% (0.79 0.72 0.02) = 15.185% kept QD1 LEU 67 - HN SER 88 9.091% * 7.9667% (0.85 0.35 0.02) = 7.967% kept QG2 VAL 40 - HN SER 88 9.091% * 7.3622% (0.72 0.38 0.02) = 7.362% kept HB2 ARG+ 84 - HN SER 88 9.091% * 1.9845% (0.32 0.23 0.02) = 1.984% kept QG2 VAL 80 - HN SER 88 9.091% * 0.3874% (0.72 0.02 0.02) = 0.387% HG12 ILE 68 - HN SER 88 9.091% * 0.2870% (0.53 0.02 0.02) = 0.287% QG1 VAL 80 - HN SER 88 9.091% * 0.2084% (0.39 0.02 0.02) = 0.208% QG2 VAL 105 - HN SER 88 9.091% * 0.1565% (0.29 0.02 0.02) = 0.156% QD1 LEU 17 - HN SER 88 9.091% * 0.1410% (0.26 0.02 0.30) = 0.141% QG1 VAL 105 - HN SER 88 9.091% * 0.1264% (0.24 0.02 0.02) = 0.126% 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): 4 chemical-shift based assignments, quality = 0.887, support = 4.28, residual support = 17.0: * HG3 LYS+ 44 - HN LYS+ 44 25.000% * 97.6791% (0.90 4.38 17.45) = 97.679% kept QG2 ILE 48 - HN LYS+ 44 25.000% * 1.4393% (0.31 0.19 0.02) = 1.439% kept HG3 LYS+ 66 - HN LYS+ 44 25.000% * 0.8128% (0.37 0.09 0.02) = 0.813% QD1 ILE 68 - HN LYS+ 44 25.000% * 0.0688% (0.14 0.02 0.02) = 0.069% Peak 776 (2.26, 7.90, 118.11 ppm): 13 chemical-shift based assignments, quality = 0.462, support = 3.1, residual support = 10.7: O HB2 LYS+ 44 - HN LYS+ 44 7.692% * 60.2134% (0.31 10.0 4.19 17.45) = 60.213% kept HB VAL 80 - HN LYS+ 44 7.692% * 14.7935% (0.85 1.0 1.77 0.89) = 14.794% kept HB3 PRO 35 - HN LYS+ 44 7.692% * 9.1620% (0.86 1.0 1.09 0.02) = 9.162% kept HG2 GLU- 64 - HN LYS+ 44 7.692% * 8.2348% (0.47 1.0 1.80 0.56) = 8.235% kept HG3 GLU- 64 - HN LYS+ 44 7.692% * 3.3568% (0.22 1.0 1.55 0.56) = 3.357% kept HG3 GLU- 107 - HN LYS+ 44 7.692% * 3.0338% (0.83 1.0 0.37 0.02) = 3.034% kept * HA1 GLY 58 - HN LYS+ 44 7.692% * 0.6155% (0.41 1.0 0.15 0.02) = 0.616% HG3 GLU- 54 - HN LYS+ 44 7.692% * 0.1704% (0.87 1.0 0.02 0.02) = 0.170% HG3 GLU- 75 - HN LYS+ 44 7.692% * 0.1583% (0.81 1.0 0.02 0.58) = 0.158% HB3 ASN 15 - HN LYS+ 44 7.692% * 0.0859% (0.44 1.0 0.02 0.02) = 0.086% HG2 GLU- 56 - HN LYS+ 44 7.692% * 0.0663% (0.34 1.0 0.02 0.02) = 0.066% HG3 GLU- 10 - HN LYS+ 44 7.692% * 0.0602% (0.31 1.0 0.02 0.02) = 0.060% HG3 GLU- 56 - HN LYS+ 44 7.692% * 0.0491% (0.25 1.0 0.02 0.02) = 0.049% Reference assignment eliminated. Peak 777 (3.52, 7.90, 118.11 ppm): 3 chemical-shift based assignments, quality = 0.679, support = 4.32, residual support = 17.0: O HA LYS+ 44 - HN LYS+ 44 33.333% * 97.6288% (0.69 10.0 4.39 17.45) = 97.629% kept HA1 GLY 30 - HN LYS+ 44 33.333% * 2.2938% (0.20 1.0 1.61 0.28) = 2.294% kept HA1 GLY 26 - HN LYS+ 44 33.333% * 0.0775% (0.55 1.0 0.02 0.02) = 0.077% Peak 778 (2.08, 7.90, 118.11 ppm): 9 chemical-shift based assignments, quality = 0.485, support = 2.15, residual support = 4.13: HB3 LEU 43 - HN LYS+ 44 11.111% * 25.4858% (0.23 5.00 14.75) = 25.486% kept HG3 GLU- 64 - HN LYS+ 44 11.111% * 20.3699% (0.58 1.55 0.56) = 20.370% kept HB3 GLU- 75 - HN LYS+ 44 11.111% * 20.0142% (0.89 0.99 0.58) = 20.014% kept HB VAL 62 - HN LYS+ 44 11.111% * 10.2178% (0.48 0.95 0.77) = 10.218% kept HG2 GLU- 64 - HN LYS+ 44 11.111% * 10.0470% (0.25 1.80 0.56) = 10.047% kept HB3 PRO 35 - HN LYS+ 44 11.111% * 5.7937% (0.23 1.09 0.02) = 5.794% kept HB ILE 101 - HN LYS+ 44 11.111% * 5.1860% (0.58 0.39 0.02) = 5.186% kept HB VAL 65 - HN LYS+ 44 11.111% * 2.3139% (0.58 0.17 0.02) = 2.314% kept HA1 GLY 58 - HN LYS+ 44 11.111% * 0.5717% (0.17 0.15 0.02) = 0.572% Reference assignment not found: HB2 LEU 43 - HN LYS+ 44 Peak 779 (8.20, 7.90, 118.11 ppm): 5 chemical-shift based assignments, quality = 0.615, support = 4.42, residual support = 13.3: * T HN GLU- 45 - HN LYS+ 44 20.000% * 97.9282% (0.62 10.00 4.51 13.57) = 97.928% kept HN ALA 11 - HN LYS+ 44 20.000% * 1.2977% (0.55 1.00 0.30 0.02) = 1.298% kept HN VAL 105 - HN LYS+ 44 20.000% * 0.4105% (0.41 1.00 0.13 0.02) = 0.411% HN VAL 94 - HN LYS+ 44 20.000% * 0.2261% (0.37 1.00 0.08 0.02) = 0.226% HN ALA 33 - HN LYS+ 44 20.000% * 0.1376% (0.87 1.00 0.02 0.02) = 0.138% Peak 780 (1.48, 7.90, 118.11 ppm): 9 chemical-shift based assignments, quality = 0.86, support = 4.3, residual support = 16.4: O HB3 LYS+ 44 - HN LYS+ 44 11.111% * 94.1712% (0.87 10.0 4.52 17.45) = 94.171% kept QB ALA 70 - HN LYS+ 44 11.111% * 2.6313% (0.88 1.0 0.56 0.02) = 2.631% kept * HB3 LEU 67 - HN LYS+ 44 11.111% * 1.8736% (0.50 1.0 0.70 0.54) = 1.874% kept HB2 LYS+ 72 - HN LYS+ 44 11.111% * 1.2019% (0.30 1.0 0.74 0.02) = 1.202% kept HD3 LYS+ 108 - HN LYS+ 44 11.111% * 0.0426% (0.40 1.0 0.02 0.02) = 0.043% HG13 ILE 48 - HN LYS+ 44 11.111% * 0.0264% (0.25 1.0 0.02 0.02) = 0.026% HG3 LYS+ 72 - HN LYS+ 44 11.111% * 0.0237% (0.22 1.0 0.02 0.02) = 0.024% HG3 LYS+ 60 - HN LYS+ 44 11.111% * 0.0147% (0.14 1.0 0.02 0.11) = 0.015% HG2 PRO 59 - HN LYS+ 44 11.111% * 0.0147% (0.14 1.0 0.02 0.02) = 0.015% Peak 781 (0.91, 7.90, 118.11 ppm): 11 chemical-shift based assignments, quality = 0.595, support = 0.852, residual support = 0.701: QG2 VAL 80 - HN LYS+ 44 9.091% * 32.1792% (0.62 1.45 0.89) = 32.179% kept * QD1 LEU 67 - HN LYS+ 44 9.091% * 17.4372% (0.85 0.57 0.54) = 17.437% kept QG1 VAL 80 - HN LYS+ 44 9.091% * 14.3729% (0.44 0.91 0.89) = 14.373% kept QG2 VAL 40 - HN LYS+ 44 9.091% * 12.3624% (0.75 0.46 0.38) = 12.362% kept HG12 ILE 68 - HN LYS+ 44 9.091% * 5.7209% (0.44 0.36 0.02) = 5.721% kept QG1 VAL 47 - HN LYS+ 44 9.091% * 4.7987% (0.81 0.17 2.93) = 4.799% kept QG2 VAL 105 - HN LYS+ 44 9.091% * 4.6847% (0.23 0.58 0.02) = 4.685% kept QD1 LEU 17 - HN LYS+ 44 9.091% * 3.8626% (0.20 0.54 0.02) = 3.863% kept QG1 VAL 105 - HN LYS+ 44 9.091% * 3.8600% (0.18 0.60 0.02) = 3.860% kept QG2 VAL 87 - HN LYS+ 44 9.091% * 0.5412% (0.75 0.02 0.02) = 0.541% HB2 ARG+ 84 - HN LYS+ 44 9.091% * 0.1802% (0.25 0.02 0.02) = 0.180% Peak 782 (1.80, 7.90, 118.11 ppm): 9 chemical-shift based assignments, quality = 0.757, support = 0.732, residual support = 0.544: HB3 LYS+ 63 - HN LYS+ 44 11.111% * 38.3699% (0.90 0.79 0.38) = 38.370% kept HG2 PRO 31 - HN LYS+ 44 11.111% * 30.9522% (0.72 0.79 0.96) = 30.952% kept HG3 LYS+ 63 - HN LYS+ 44 11.111% * 26.0575% (0.69 0.70 0.38) = 26.058% kept HD3 LYS+ 72 - HN LYS+ 44 11.111% * 1.6427% (0.41 0.08 0.02) = 1.643% kept HB3 LYS+ 108 - HN LYS+ 44 11.111% * 0.9741% (0.90 0.02 0.02) = 0.974% HB3 ARG+ 84 - HN LYS+ 44 11.111% * 0.7800% (0.72 0.02 0.02) = 0.780% HG3 ARG+ 53 - HN LYS+ 44 11.111% * 0.5908% (0.55 0.02 0.02) = 0.591% HB3 GLU- 18 - HN LYS+ 44 11.111% * 0.3323% (0.31 0.02 0.02) = 0.332% HG3 LYS+ 108 - HN LYS+ 44 11.111% * 0.3006% (0.28 0.02 0.02) = 0.301% Reference assignment not found: HB3 LYS+ 44 - HN LYS+ 44 Peak 783 (3.78, 7.90, 118.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HA LYS+ 44 - HN LYS+ 44 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 = 0.626, support = 2.1, residual support = 9.62: * O HA PRO 59 - HN LYS+ 60 4.545% * 78.6588% (0.60 10.0 2.11 10.43) = 78.659% kept HD3 PRO 59 - HN LYS+ 60 4.545% * 13.1957% (0.68 1.0 2.96 10.43) = 13.196% kept HA GLU- 75 - HN LYS+ 60 4.545% * 4.8760% (0.99 1.0 0.76 0.97) = 4.876% kept HA VAL 94 - HN LYS+ 60 4.545% * 2.0117% (0.64 1.0 0.48 0.02) = 2.012% kept HA GLU- 64 - HN LYS+ 60 4.545% * 0.1271% (0.98 1.0 0.02 0.02) = 0.127% HA GLU- 56 - HN LYS+ 60 4.545% * 0.1227% (0.94 1.0 0.02 0.02) = 0.123% HA GLU- 107 - HN LYS+ 60 4.545% * 0.1197% (0.92 1.0 0.02 0.02) = 0.120% HA ASN 76 - HN LYS+ 60 4.545% * 0.1163% (0.89 1.0 0.02 0.21) = 0.116% HA ALA 11 - HN LYS+ 60 4.545% * 0.1083% (0.83 1.0 0.02 0.02) = 0.108% HA VAL 65 - HN LYS+ 60 4.545% * 0.0991% (0.76 1.0 0.02 0.02) = 0.099% HA PRO 52 - HN LYS+ 60 4.545% * 0.0891% (0.68 1.0 0.02 0.02) = 0.089% HA SER 85 - HN LYS+ 60 4.545% * 0.0891% (0.68 1.0 0.02 0.02) = 0.089% HA ARG+ 84 - HN LYS+ 60 4.545% * 0.0891% (0.68 1.0 0.02 0.02) = 0.089% HA LEU 90 - HN LYS+ 60 4.545% * 0.0487% (0.37 1.0 0.02 0.02) = 0.049% HA GLU- 54 - HN LYS+ 60 4.545% * 0.0442% (0.34 1.0 0.02 0.02) = 0.044% HA GLU- 10 - HN LYS+ 60 4.545% * 0.0442% (0.34 1.0 0.02 0.02) = 0.044% HA LYS+ 108 - HN LYS+ 60 4.545% * 0.0442% (0.34 1.0 0.02 0.02) = 0.044% HB3 SER 49 - HN LYS+ 60 4.545% * 0.0327% (0.25 1.0 0.02 0.02) = 0.033% HA ALA 42 - HN LYS+ 60 4.545% * 0.0257% (0.20 1.0 0.02 0.02) = 0.026% HA SER 49 - HN LYS+ 60 4.545% * 0.0200% (0.15 1.0 0.02 0.02) = 0.020% HA THR 106 - HN LYS+ 60 4.545% * 0.0200% (0.15 1.0 0.02 0.02) = 0.020% HA GLU- 18 - HN LYS+ 60 4.545% * 0.0176% (0.13 1.0 0.02 0.02) = 0.018% Peak 786 (7.43, 8.83, 118.01 ppm): 2 chemical-shift based assignments, quality = 0.96, support = 4.29, residual support = 14.6: * T HN THR 61 - HN LYS+ 60 50.000% * 99.9795% (0.96 10.00 4.30 14.63) = 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): 8 chemical-shift based assignments, quality = 0.825, support = 3.61, residual support = 19.0: * O HB2 PRO 59 - HN LYS+ 60 12.500% * 57.3976% (0.94 10.0 2.95 10.43) = 57.398% kept O HB3 LYS+ 60 - HN LYS+ 60 12.500% * 41.6792% (0.68 10.0 4.60 31.24) = 41.679% kept HB2 LYS+ 66 - HN LYS+ 60 12.500% * 0.7741% (0.96 1.0 0.26 0.02) = 0.774% HB3 LYS+ 72 - HN LYS+ 60 12.500% * 0.0393% (0.64 1.0 0.02 0.02) = 0.039% HB2 PRO 104 - HN LYS+ 60 12.500% * 0.0368% (0.60 1.0 0.02 0.02) = 0.037% HG3 LYS+ 108 - HN LYS+ 60 12.500% * 0.0295% (0.48 1.0 0.02 0.02) = 0.030% HB VAL 94 - HN LYS+ 60 12.500% * 0.0228% (0.37 1.0 0.02 0.02) = 0.023% HD3 LYS+ 72 - HN LYS+ 60 12.500% * 0.0207% (0.34 1.0 0.02 0.02) = 0.021% Peak 788 (1.42, 8.83, 118.01 ppm): 10 chemical-shift based assignments, quality = 0.827, support = 0.315, residual support = 0.101: QG2 THR 38 - HN LYS+ 60 10.000% * 27.6697% (0.86 0.45 0.02) = 27.670% kept HD3 LYS+ 44 - HN LYS+ 60 10.000% * 23.7358% (0.98 0.34 0.11) = 23.736% kept QB ALA 37 - HN LYS+ 60 10.000% * 21.3593% (0.86 0.35 0.02) = 21.359% kept QB ALA 91 - HN LYS+ 60 10.000% * 5.7496% (0.92 0.09 0.02) = 5.750% kept HG LEU 67 - HN LYS+ 60 10.000% * 5.6150% (0.68 0.12 0.02) = 5.615% kept HD3 LYS+ 20 - HN LYS+ 60 10.000% * 5.3716% (0.31 0.25 0.12) = 5.372% kept HG13 ILE 100 - HN LYS+ 60 10.000% * 5.1067% (0.64 0.11 1.08) = 5.107% kept QB ALA 93 - HN LYS+ 60 10.000% * 3.7885% (0.64 0.08 0.02) = 3.789% kept HG3 LYS+ 55 - HN LYS+ 60 10.000% * 1.0240% (0.72 0.02 0.02) = 1.024% kept HG LEU 90 - HN LYS+ 60 10.000% * 0.5797% (0.41 0.02 0.02) = 0.580% Reference assignment not found: HB3 LYS+ 60 - HN LYS+ 60 Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 789 (4.37, 8.83, 118.01 ppm): 11 chemical-shift based assignments, quality = 0.973, support = 3.96, residual support = 28.6: * O HA LYS+ 60 - HN LYS+ 60 9.091% * 86.0865% (0.99 10.0 4.15 31.24) = 86.086% kept HB THR 61 - HN LYS+ 60 9.091% * 11.8434% (0.86 1.0 3.17 14.63) = 11.843% kept HA ALA 37 - HN LYS+ 60 9.091% * 1.6241% (0.99 1.0 0.38 0.02) = 1.624% kept HA TRP 51 - HN LYS+ 60 9.091% * 0.0855% (0.99 1.0 0.02 0.02) = 0.086% HA SER 27 - HN LYS+ 60 9.091% * 0.0846% (0.98 1.0 0.02 0.02) = 0.085% HA ALA 91 - HN LYS+ 60 9.091% * 0.0721% (0.83 1.0 0.02 0.02) = 0.072% HA2 GLY 26 - HN LYS+ 60 9.091% * 0.0659% (0.76 1.0 0.02 0.02) = 0.066% HA SER 88 - HN LYS+ 60 9.091% * 0.0627% (0.72 1.0 0.02 0.02) = 0.063% HA ASN 57 - HN LYS+ 60 9.091% * 0.0294% (0.34 1.0 0.02 0.02) = 0.029% HA THR 95 - HN LYS+ 60 9.091% * 0.0266% (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 = 0.937, support = 3.74, residual support = 25.1: HD3 LYS+ 60 - HN LYS+ 60 10.000% * 80.3431% (0.96 4.49 31.24) = 80.343% kept HB ILE 19 - HN LYS+ 60 10.000% * 14.7844% (0.99 0.80 0.02) = 14.784% kept HB3 LEU 90 - HN LYS+ 60 10.000% * 3.1395% (0.60 0.28 0.02) = 3.139% kept HG LEU 17 - HN LYS+ 60 10.000% * 0.3673% (0.99 0.02 0.02) = 0.367% HD3 LYS+ 81 - HN LYS+ 60 10.000% * 0.3421% (0.92 0.02 0.02) = 0.342% QB ALA 42 - HN LYS+ 60 10.000% * 0.2546% (0.68 0.02 0.02) = 0.255% HG12 ILE 29 - HN LYS+ 60 10.000% * 0.2546% (0.68 0.02 0.02) = 0.255% HB3 LYS+ 32 - HN LYS+ 60 10.000% * 0.1950% (0.52 0.02 0.02) = 0.195% HG13 ILE 29 - HN LYS+ 60 10.000% * 0.1804% (0.48 0.02 0.02) = 0.180% QG2 THR 24 - HN LYS+ 60 10.000% * 0.1391% (0.37 0.02 0.02) = 0.139% Reference assignment not found: HG3 LYS+ 60 - HN LYS+ 60 Peak 791 (0.70, 8.83, 118.01 ppm): 11 chemical-shift based assignments, quality = 0.802, support = 0.619, residual support = 0.391: QG2 THR 96 - HN LYS+ 60 9.091% * 22.7380% (0.96 0.78 0.60) = 22.738% kept QG2 ILE 48 - HN LYS+ 60 9.091% * 21.4397% (0.94 0.75 0.89) = 21.440% kept QG2 ILE 101 - HN LYS+ 60 9.091% * 14.4873% (1.00 0.48 0.02) = 14.487% kept QD1 ILE 19 - HN LYS+ 60 9.091% * 10.4659% (0.68 0.50 0.02) = 10.466% kept HG LEU 74 - HN LYS+ 60 9.091% * 10.0412% (0.52 0.63 0.29) = 10.041% kept QG2 ILE 68 - HN LYS+ 60 9.091% * 8.9074% (0.60 0.49 0.25) = 8.907% kept HG12 ILE 19 - HN LYS+ 60 9.091% * 8.8586% (0.56 0.52 0.02) = 8.859% kept QG2 VAL 94 - HN LYS+ 60 9.091% * 1.4470% (0.60 0.08 0.02) = 1.447% kept QG1 VAL 62 - HN LYS+ 60 9.091% * 1.4158% (0.15 0.30 0.40) = 1.416% kept QG1 VAL 40 - HN LYS+ 60 9.091% * 0.1059% (0.17 0.02 0.02) = 0.106% QD1 ILE 68 - HN LYS+ 60 9.091% * 0.0933% (0.15 0.02 0.25) = 0.093% Reference assignment not found: HG2 PRO 59 - 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): 2 chemical-shift based assignments, quality = 0.862, support = 3.76, residual support = 9.94: * T HN GLY 26 - HN ASP- 25 50.000% * 99.8871% (0.86 10.00 3.76 9.95) = 99.887% kept HN SER 88 - HN ASP- 25 50.000% * 0.1129% (0.98 1.00 0.02 0.02) = 0.113% Peak 796 (2.62, 7.61, 117.98 ppm): 4 chemical-shift based assignments, quality = 0.916, support = 2.93, residual support = 22.4: * O HB2 ASP- 25 - HN ASP- 25 25.000% * 99.6943% (0.92 10.0 2.94 22.49) = 99.694% kept HE2 LYS+ 20 - HN ASP- 25 25.000% * 0.1078% (0.99 1.0 0.02 0.02) = 0.108% HA1 GLY 58 - HN ASP- 25 25.000% * 0.1077% (0.99 1.0 0.02 0.02) = 0.108% HB2 PHE 34 - HN ASP- 25 25.000% * 0.0902% (0.83 1.0 0.02 0.02) = 0.090% Peak 797 (9.35, 7.61, 117.98 ppm): 1 chemical-shift based assignment, quality = 0.76, support = 4.09, residual support = 6.29: * HN THR 24 - HN ASP- 25 100.000% *100.0000% (0.76 4.09 6.29) = 100.000% kept Peak 798 (4.60, 7.61, 117.98 ppm): 3 chemical-shift based assignments, quality = 0.974, support = 3.53, residual support = 22.5: * O HA ASP- 25 - HN ASP- 25 33.333% * 99.9006% (0.98 10.0 3.53 22.49) = 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): 3 chemical-shift based assignments, quality = 0.415, support = 2.91, residual support = 22.2: * O HB3 ASP- 25 - HN ASP- 25 33.333% * 98.7892% (0.41 10.0 2.94 22.49) = 98.789% kept HA VAL 47 - HN ASP- 25 33.333% * 1.1329% (0.96 1.0 0.10 0.02) = 1.133% kept HA1 GLY 58 - HN ASP- 25 33.333% * 0.0779% (0.32 1.0 0.02 0.02) = 0.078% Peak 800 (4.40, 7.61, 117.98 ppm): 12 chemical-shift based assignments, quality = 0.649, support = 0.138, residual support = 0.02: HA SER 27 - HN ASP- 25 8.333% * 31.2763% (0.28 0.33 0.02) = 31.276% kept HA ASN 57 - HN ASP- 25 8.333% * 29.7601% (0.94 0.09 0.02) = 29.760% kept HA PRO 104 - HN ASP- 25 8.333% * 6.8024% (0.99 0.02 0.02) = 6.802% kept HA THR 95 - HN ASP- 25 8.333% * 6.5794% (0.96 0.02 0.02) = 6.579% kept HA PRO 86 - HN ASP- 25 8.333% * 5.9137% (0.86 0.02 0.02) = 5.914% kept HA HIS+ 14 - HN ASP- 25 8.333% * 4.9505% (0.72 0.02 0.02) = 4.951% kept HA SER 88 - HN ASP- 25 8.333% * 4.1350% (0.60 0.02 0.02) = 4.135% kept HA ALA 91 - HN ASP- 25 8.333% * 3.3184% (0.48 0.02 0.02) = 3.318% kept HA LYS+ 66 - HN ASP- 25 8.333% * 3.3184% (0.48 0.02 0.02) = 3.318% kept HA ALA 37 - HN ASP- 25 8.333% * 1.7000% (0.25 0.02 0.02) = 1.700% kept HA LYS+ 60 - HN ASP- 25 8.333% * 1.1940% (0.17 0.02 0.02) = 1.194% kept HA TRP 51 - HN ASP- 25 8.333% * 1.0519% (0.15 0.02 0.02) = 1.052% kept Reference assignment not found: HA THR 24 - HN ASP- 25 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 801 (1.73, 7.61, 117.98 ppm): 4 chemical-shift based assignments, quality = 0.588, support = 1.07, residual support = 0.684: HB3 LEU 23 - HN ASP- 25 25.000% * 58.0703% (0.45 1.50 1.01) = 58.070% kept HB2 GLN 16 - HN ASP- 25 25.000% * 38.0988% (0.83 0.53 0.25) = 38.099% kept HB2 LEU 17 - HN ASP- 25 25.000% * 2.7801% (0.20 0.16 0.02) = 2.780% kept HB ILE 48 - HN ASP- 25 25.000% * 1.0508% (0.60 0.02 0.02) = 1.051% kept Peak 802 (1.92, 7.61, 117.98 ppm): 12 chemical-shift based assignments, quality = 0.918, support = 1.36, residual support = 0.88: * HB2 LEU 23 - HN ASP- 25 8.333% * 55.3325% (0.99 1.67 1.01) = 55.332% kept HB ILE 29 - HN ASP- 25 8.333% * 35.8233% (0.92 1.17 0.87) = 35.823% kept HB3 GLU- 56 - HN ASP- 25 8.333% * 3.4841% (1.00 0.11 0.02) = 3.484% kept HB3 GLN 16 - HN ASP- 25 8.333% * 2.9774% (0.17 0.51 0.25) = 2.977% kept HD3 LYS+ 63 - HN ASP- 25 8.333% * 0.6121% (0.92 0.02 0.02) = 0.612% HB3 GLN 102 - HN ASP- 25 8.333% * 0.5067% (0.76 0.02 0.02) = 0.507% HB2 GLU- 10 - HN ASP- 25 8.333% * 0.4022% (0.60 0.02 0.02) = 0.402% HB3 ARG+ 53 - HN ASP- 25 8.333% * 0.3227% (0.48 0.02 0.02) = 0.323% HB2 GLU- 75 - HN ASP- 25 8.333% * 0.2046% (0.31 0.02 0.02) = 0.205% HB3 LYS+ 55 - HN ASP- 25 8.333% * 0.1161% (0.17 0.02 0.02) = 0.116% HG2 GLU- 18 - HN ASP- 25 8.333% * 0.1161% (0.17 0.02 0.02) = 0.116% HG3 PRO 31 - HN ASP- 25 8.333% * 0.1023% (0.15 0.02 0.02) = 0.102% Peak 803 (1.55, 7.61, 117.98 ppm): 9 chemical-shift based assignments, quality = 0.9, support = 3.06, residual support = 3.79: * QG2 THR 24 - HN ASP- 25 11.111% * 55.3765% (0.98 4.36 6.29) = 55.377% kept HG13 ILE 29 - HN ASP- 25 11.111% * 22.9238% (0.92 1.92 0.87) = 22.924% kept HG12 ILE 29 - HN ASP- 25 11.111% * 12.5087% (0.76 1.26 0.87) = 12.509% kept QB ALA 42 - HN ASP- 25 11.111% * 6.1423% (0.76 0.62 0.02) = 6.142% kept HD3 LYS+ 60 - HN ASP- 25 11.111% * 1.9105% (0.41 0.36 0.02) = 1.911% kept HG LEU 17 - HN ASP- 25 11.111% * 0.7161% (0.34 0.16 0.02) = 0.716% HB3 LEU 90 - HN ASP- 25 11.111% * 0.2163% (0.83 0.02 0.02) = 0.216% HD3 LYS+ 81 - HN ASP- 25 11.111% * 0.1260% (0.48 0.02 0.02) = 0.126% HB ILE 19 - HN ASP- 25 11.111% * 0.0799% (0.31 0.02 0.02) = 0.080% 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 = 0.828, support = 3.24, residual support = 13.6: O HA THR 38 - HN THR 39 25.000% * 97.2047% (0.83 10.0 3.32 14.00) = 97.205% kept HB THR 95 - HN THR 39 25.000% * 2.6586% (0.95 1.0 0.47 0.02) = 2.659% kept HA1 GLY 92 - HN THR 39 25.000% * 0.0845% (0.72 1.0 0.02 0.02) = 0.085% HA VAL 13 - HN THR 39 25.000% * 0.0522% (0.44 1.0 0.02 0.02) = 0.052% Reference assignment not found: HB THR 39 - HN THR 39 Peak 806 (1.38, 8.59, 117.77 ppm): 12 chemical-shift based assignments, quality = 0.927, support = 1.56, residual support = 4.3: * QG2 THR 39 - HN THR 39 8.333% * 87.2288% (0.99 1.77 4.91) = 87.229% kept HG2 LYS+ 78 - HN THR 39 8.333% * 6.3813% (0.94 0.14 0.16) = 6.381% kept HG13 ILE 100 - HN THR 39 8.333% * 2.0176% (0.25 0.16 0.02) = 2.018% kept HG13 ILE 68 - HN THR 39 8.333% * 0.9298% (0.94 0.02 0.02) = 0.930% QB ALA 11 - HN THR 39 8.333% * 0.6752% (0.68 0.02 0.02) = 0.675% HB3 LYS+ 20 - HN THR 39 8.333% * 0.6358% (0.64 0.02 1.82) = 0.636% HD3 LYS+ 20 - HN THR 39 8.333% * 0.5565% (0.56 0.02 1.82) = 0.556% HB3 LEU 17 - HN THR 39 8.333% * 0.4407% (0.44 0.02 0.02) = 0.441% HG3 LYS+ 81 - HN THR 39 8.333% * 0.3353% (0.34 0.02 0.02) = 0.335% HG3 ARG+ 22 - HN THR 39 8.333% * 0.3353% (0.34 0.02 0.02) = 0.335% QB ALA 93 - HN THR 39 8.333% * 0.2451% (0.25 0.02 0.02) = 0.245% HG LEU 67 - HN THR 39 8.333% * 0.2188% (0.22 0.02 0.02) = 0.219% Peak 807 (1.54, 8.59, 117.77 ppm): 9 chemical-shift based assignments, quality = 0.619, support = 1.55, residual support = 5.38: QB ALA 42 - HN THR 39 11.111% * 67.9292% (0.60 2.14 7.80) = 67.929% kept QG2 THR 24 - HN THR 39 11.111% * 14.0916% (0.89 0.30 0.02) = 14.092% kept HB3 LEU 90 - HN THR 39 11.111% * 11.6005% (0.68 0.32 0.47) = 11.600% kept HB ILE 19 - HN THR 39 11.111% * 4.0252% (0.20 0.39 0.70) = 4.025% kept HG13 ILE 29 - HN THR 39 11.111% * 0.8379% (0.79 0.02 0.02) = 0.838% HG12 ILE 29 - HN THR 39 11.111% * 0.6347% (0.60 0.02 0.02) = 0.635% HD3 LYS+ 81 - HN THR 39 11.111% * 0.3569% (0.34 0.02 0.02) = 0.357% HD3 LYS+ 60 - HN THR 39 11.111% * 0.2909% (0.27 0.02 0.02) = 0.291% HG LEU 17 - HN THR 39 11.111% * 0.2330% (0.22 0.02 0.02) = 0.233% Reference assignment not found: HG LEU 43 - HN THR 39 Peak 808 (4.74, 8.59, 117.77 ppm): 3 chemical-shift based assignments, quality = 0.172, support = 2.33, residual support = 4.89: O HA THR 39 - HN THR 39 33.333% * 99.5966% (0.17 10.0 2.34 4.91) = 99.597% kept HA LYS+ 20 - HN THR 39 33.333% * 0.2768% (0.48 1.0 0.02 1.82) = 0.277% HA2 GLY 30 - HN THR 39 33.333% * 0.1266% (0.22 1.0 0.02 0.02) = 0.127% Reference assignment not found: HA VAL 40 - HN THR 39 Peak 809 (8.74, 8.59, 117.77 ppm): 4 chemical-shift based assignments, quality = 0.801, support = 0.0547, residual support = 0.02: HN ILE 101 - HN THR 39 25.000% * 61.3825% (0.86 0.08 0.02) = 61.383% kept HN GLU- 56 - HN THR 39 25.000% * 15.4517% (0.83 0.02 0.02) = 15.452% kept HN VAL 62 - HN THR 39 25.000% * 13.4330% (0.72 0.02 0.02) = 13.433% kept HN PHE 34 - HN THR 39 25.000% * 9.7327% (0.52 0.02 0.02) = 9.733% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 810 (7.72, 8.59, 117.77 ppm): 2 chemical-shift based assignments, quality = 0.599, support = 2.18, residual support = 7.79: * T HN ALA 42 - HN THR 39 50.000% * 99.8480% (0.60 10.00 2.18 7.80) = 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 = 0.657, support = 2.63, residual support = 12.7: * T HN THR 38 - HN THR 39 25.000% * 90.7310% (0.64 10.00 2.80 14.00) = 90.731% kept HN LEU 90 - HN THR 39 25.000% * 7.7817% (0.98 1.00 1.12 0.47) = 7.782% kept HN LYS+ 44 - HN THR 39 25.000% * 0.9086% (0.89 1.00 0.14 0.02) = 0.909% HD22 ASN 89 - HN THR 39 25.000% * 0.5787% (0.76 1.00 0.11 0.02) = 0.579% 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 = 0.715, support = 2.1, residual support = 5.57: * O HA2 GLY 26 - HN SER 27 14.286% * 68.6723% (0.87 10.0 2.18 6.20) = 68.672% kept O HA SER 27 - HN SER 27 14.286% * 28.6993% (0.36 10.0 2.00 4.59) = 28.699% kept HA TRP 51 - HN SER 27 14.286% * 2.4801% (0.55 1.0 1.14 0.02) = 2.480% kept HB THR 61 - HN SER 27 14.286% * 0.0613% (0.78 1.0 0.02 0.02) = 0.061% HA LYS+ 60 - HN SER 27 14.286% * 0.0403% (0.51 1.0 0.02 0.02) = 0.040% HA ALA 37 - HN SER 27 14.286% * 0.0315% (0.40 1.0 0.02 0.02) = 0.031% HA ALA 91 - HN SER 27 14.286% * 0.0152% (0.19 1.0 0.02 0.02) = 0.015% Peak 814 (3.78, 8.02, 117.84 ppm): 1 chemical-shift based assignment, quality = 0.15, support = 0.172, residual support = 0.172: HD3 PRO 104 - HN SER 27 100.000% *100.0000% (0.15 0.17 0.17) = 100.000% kept Reference assignment not found: HB3 SER 27 - HN SER 27 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 815 (3.69, 8.02, 117.84 ppm): 4 chemical-shift based assignments, quality = 0.869, support = 0.205, residual support = 0.0917: HD2 PRO 52 - HN SER 27 25.000% * 55.7291% (0.94 0.24 0.15) = 55.729% kept HB2 TRP 51 - HN SER 27 25.000% * 38.1791% (0.81 0.19 0.02) = 38.179% kept HA LYS+ 81 - HN SER 27 25.000% * 3.7215% (0.74 0.02 0.02) = 3.721% kept HB3 SER 69 - HN SER 27 25.000% * 2.3703% (0.47 0.02 0.02) = 2.370% kept Reference assignment not found: HA SER 27 - HN SER 27 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 816 (3.51, 8.02, 117.84 ppm): 3 chemical-shift based assignments, quality = 0.224, support = 2.55, residual support = 6.05: O HA1 GLY 26 - HN SER 27 33.333% * 97.5620% (0.22 10.0 2.61 6.20) = 97.562% kept HA1 GLY 30 - HN SER 27 33.333% * 2.2886% (0.59 1.0 0.17 0.02) = 2.289% kept HA LYS+ 44 - HN SER 27 33.333% * 0.1495% (0.33 1.0 0.02 0.02) = 0.149% Reference assignment not found: HA ILE 48 - HN SER 27 Peak 817 (3.86, 8.02, 117.84 ppm): 8 chemical-shift based assignments, quality = 0.662, support = 1.86, residual support = 4.56: O HB3 SER 27 - HN SER 27 12.500% * 99.3778% (0.67 10.0 1.87 4.59) = 99.378% kept HB3 SER 88 - HN SER 27 12.500% * 0.1464% (0.92 1.0 0.02 0.02) = 0.146% HB2 SER 85 - HN SER 27 12.500% * 0.1429% (0.89 1.0 0.02 0.02) = 0.143% HB3 SER 77 - HN SER 27 12.500% * 0.1388% (0.87 1.0 0.02 0.02) = 0.139% HA GLU- 45 - HN SER 27 12.500% * 0.1001% (0.63 1.0 0.02 0.02) = 0.100% HD3 PRO 35 - HN SER 27 12.500% * 0.0430% (0.27 1.0 0.02 0.02) = 0.043% HD2 PRO 86 - HN SER 27 12.500% * 0.0271% (0.17 1.0 0.02 0.02) = 0.027% HA2 GLY 92 - HN SER 27 12.500% * 0.0239% (0.15 1.0 0.02 0.02) = 0.024% Reference assignment not found: HA ILE 48 - HN SER 27 Peak 818 (1.71, 8.02, 117.84 ppm): 3 chemical-shift based assignments, quality = 0.573, support = 0.02, residual support = 0.02: HB2 GLN 16 - HN SER 27 33.333% * 55.0681% (0.78 0.02 0.02) = 55.068% kept HG13 ILE 19 - HN SER 27 33.333% * 25.8108% (0.36 0.02 0.02) = 25.811% kept HD3 LYS+ 55 - HN SER 27 33.333% * 19.1211% (0.27 0.02 0.02) = 19.121% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 819 (8.18, 8.02, 117.84 ppm): 4 chemical-shift based assignments, quality = 0.514, support = 0.241, residual support = 0.199: HN SER 41 - HN SER 27 25.000% * 87.5876% (0.51 0.27 0.22) = 87.588% kept HN ALA 33 - HN SER 27 25.000% * 8.8733% (0.70 0.02 0.02) = 8.873% kept HN GLU- 45 - HN SER 27 25.000% * 1.8854% (0.15 0.02 0.02) = 1.885% kept HN SER 77 - HN SER 27 25.000% * 1.6537% (0.13 0.02 0.02) = 1.654% kept Not enough support, support cutoff is 0.30 Peak unassigned. 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 = 0.564, support = 2.12, residual support = 4.75: O HA SER 27 - HN ASP- 28 12.500% * 83.4768% (0.53 10.0 2.36 5.69) = 83.477% kept HA2 GLY 26 - HN ASP- 28 12.500% * 7.6083% (0.98 1.0 0.98 0.02) = 7.608% kept HA TRP 51 - HN ASP- 28 12.500% * 6.3450% (0.73 1.0 1.10 0.02) = 6.345% kept HA ALA 91 - HN ASP- 28 12.500% * 1.4683% (0.31 1.0 0.60 0.02) = 1.468% kept HB THR 61 - HN ASP- 28 12.500% * 0.8675% (0.92 1.0 0.12 0.02) = 0.868% HA LYS+ 60 - HN ASP- 28 12.500% * 0.1090% (0.69 1.0 0.02 0.02) = 0.109% HA ALA 37 - HN ASP- 28 12.500% * 0.0898% (0.57 1.0 0.02 0.02) = 0.090% HA SER 88 - HN ASP- 28 12.500% * 0.0353% (0.22 1.0 0.02 0.02) = 0.035% 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): 7 chemical-shift based assignments, quality = 0.381, support = 2.0, residual support = 4.45: HB3 SER 27 - HN ASP- 28 14.286% * 77.7181% (0.37 2.44 5.69) = 77.718% kept HA2 GLY 92 - HN ASP- 28 14.286% * 18.1193% (0.37 0.57 0.13) = 18.119% kept HB3 SER 88 - HN ASP- 28 14.286% * 1.1640% (0.69 0.02 0.02) = 1.164% kept HB2 SER 85 - HN ASP- 28 14.286% * 1.0962% (0.65 0.02 0.02) = 1.096% kept HB3 SER 77 - HN ASP- 28 14.286% * 1.0278% (0.61 0.02 0.02) = 1.028% kept HA GLU- 45 - HN ASP- 28 14.286% * 0.5780% (0.34 0.02 0.02) = 0.578% HD3 PRO 86 - HN ASP- 28 14.286% * 0.2968% (0.17 0.02 0.02) = 0.297% 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 Reference assignment not found: HB3 SER 27 - HN ASP- 28 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 828 (2.11, 8.29, 117.49 ppm): 11 chemical-shift based assignments, quality = 0.38, support = 2.71, residual support = 28.9: * O HB2 ASP- 28 - HN ASP- 28 9.091% * 87.7931% (0.34 10.0 3.04 32.90) = 87.793% kept HB3 LEU 43 - HN ASP- 28 9.091% * 6.4084% (0.96 1.0 0.52 0.02) = 6.408% kept HB VAL 105 - HN ASP- 28 9.091% * 1.8501% (0.83 1.0 0.17 0.02) = 1.850% kept HA1 GLY 58 - HN ASP- 28 9.091% * 1.6187% (0.22 1.0 0.58 0.02) = 1.619% kept HG2 GLU- 45 - HN ASP- 28 9.091% * 0.9167% (0.65 1.0 0.11 0.02) = 0.917% HB3 PRO 35 - HN ASP- 28 9.091% * 0.4018% (0.36 1.0 0.09 0.02) = 0.402% HB VAL 87 - HN ASP- 28 9.091% * 0.2551% (0.99 1.0 0.02 0.02) = 0.255% HB3 GLU- 75 - HN ASP- 28 9.091% * 0.2437% (0.95 1.0 0.02 0.02) = 0.244% HG3 GLU- 64 - HN ASP- 28 9.091% * 0.2254% (0.87 1.0 0.02 0.02) = 0.225% HB VAL 65 - HN ASP- 28 9.091% * 0.1561% (0.61 1.0 0.02 0.02) = 0.156% HG2 GLU- 64 - HN ASP- 28 9.091% * 0.1309% (0.51 1.0 0.02 0.02) = 0.131% Peak 829 (2.37, 8.29, 117.49 ppm): 6 chemical-shift based assignments, quality = 0.414, support = 3.22, residual support = 30.8: * O HB3 ASP- 28 - HN ASP- 28 16.667% * 93.5442% (0.41 10.0 3.41 32.90) = 93.544% kept HA1 GLY 58 - HN ASP- 28 16.667% * 4.3976% (0.67 1.0 0.58 0.02) = 4.398% kept HB3 PRO 35 - HN ASP- 28 16.667% * 0.8851% (0.90 1.0 0.09 0.02) = 0.885% HB2 LYS+ 78 - HN ASP- 28 16.667% * 0.7809% (0.65 1.0 0.11 0.12) = 0.781% HB3 GLU- 50 - HN ASP- 28 16.667% * 0.2100% (0.92 1.0 0.02 0.02) = 0.210% HG3 GLU- 50 - HN ASP- 28 16.667% * 0.1822% (0.80 1.0 0.02 0.02) = 0.182% Peak 830 (5.97, 8.29, 117.49 ppm): 1 chemical-shift based assignment, quality = 0.486, support = 3.12, residual support = 32.9: * O HA ASP- 28 - HN ASP- 28 100.000% *100.0000% (0.49 10.0 3.12 32.90) = 100.000% kept Peak 831 (3.66, 8.29, 117.49 ppm): 1 chemical-shift based assignment, quality = 0.341, support = 0.188, residual support = 0.188: HD2 PRO 52 - HN ASP- 28 100.000% *100.0000% (0.34 0.19 0.19) = 100.000% kept Reference assignment not found: HA SER 27 - HN ASP- 28 Not enough support, support cutoff is 0.30 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): 10 chemical-shift based assignments, quality = 0.935, support = 2.42, residual support = 5.69: * O QB ALA 37 - HN ALA 37 10.000% * 89.7765% (0.96 10.0 2.50 5.93) = 89.777% kept QG2 THR 38 - HN ALA 37 10.000% * 7.5178% (0.72 1.0 2.23 4.67) = 7.518% kept QB ALA 91 - HN ALA 37 10.000% * 2.2753% (0.80 1.0 0.61 0.74) = 2.275% kept HD3 LYS+ 44 - HN ALA 37 10.000% * 0.0834% (0.89 1.0 0.02 0.02) = 0.083% HG LEU 67 - HN ALA 37 10.000% * 0.0777% (0.83 1.0 0.02 0.02) = 0.078% HG13 ILE 100 - HN ALA 37 10.000% * 0.0745% (0.80 1.0 0.02 0.02) = 0.074% QB ALA 93 - HN ALA 37 10.000% * 0.0745% (0.80 1.0 0.02 0.02) = 0.074% HG3 LYS+ 55 - HN ALA 37 10.000% * 0.0527% (0.56 1.0 0.02 0.02) = 0.053% HD3 LYS+ 20 - HN ALA 37 10.000% * 0.0417% (0.45 1.0 0.02 0.02) = 0.042% HG LEU 90 - HN ALA 37 10.000% * 0.0259% (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 = 0.881, support = 2.61, residual support = 5.77: * O HA ALA 37 - HN ALA 37 10.000% * 97.1144% (0.89 10.0 2.67 5.93) = 97.114% kept HA ALA 91 - HN ALA 37 10.000% * 2.2775% (0.64 1.0 0.65 0.74) = 2.278% kept HB THR 61 - HN ALA 37 10.000% * 0.1061% (0.98 1.0 0.02 0.02) = 0.106% HA TRP 51 - HN ALA 37 10.000% * 0.1061% (0.98 1.0 0.02 0.02) = 0.106% HA LYS+ 60 - HN ALA 37 10.000% * 0.1045% (0.96 1.0 0.02 0.02) = 0.105% HA2 GLY 26 - HN ALA 37 10.000% * 0.1000% (0.92 1.0 0.02 0.02) = 0.100% HA SER 27 - HN ALA 37 10.000% * 0.0939% (0.86 1.0 0.02 0.02) = 0.094% HA SER 88 - HN ALA 37 10.000% * 0.0570% (0.52 1.0 0.02 0.02) = 0.057% HA ASN 57 - HN ALA 37 10.000% * 0.0214% (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 = 0.899, support = 2.96, residual support = 12.8: * HB2 ASP- 36 - HN ALA 37 25.000% * 74.2580% (0.99 3.62 17.04) = 74.258% kept HA1 GLY 58 - HN ALA 37 25.000% * 13.5351% (0.92 0.70 0.24) = 13.535% kept HB3 PRO 35 - HN ALA 37 25.000% * 10.0811% (0.28 1.75 1.56) = 10.081% kept HB3 PRO 59 - HN ALA 37 25.000% * 2.1258% (0.64 0.16 0.02) = 2.126% kept Peak 838 (8.88, 7.75, 117.09 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 3.62, residual support = 17.0: * T HN ASP- 36 - HN ALA 37 33.333% * 99.9225% (1.00 10.00 3.63 17.04) = 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 = 0.623, support = 1.68, residual support = 9.56: * HB3 ASP- 36 - HN ALA 37 16.667% * 55.5446% (0.37 2.49 17.04) = 55.545% kept HA1 GLY 58 - HN ALA 37 16.667% * 41.7851% (0.99 0.70 0.24) = 41.785% kept HB2 ASP- 25 - HN ALA 37 16.667% * 0.9927% (0.83 0.02 0.02) = 0.993% HE2 LYS+ 20 - HN ALA 37 16.667% * 0.7688% (0.64 0.02 0.02) = 0.769% HB3 ASP- 82 - HN ALA 37 16.667% * 0.5785% (0.48 0.02 0.02) = 0.578% HB2 PHE 34 - HN ALA 37 16.667% * 0.3304% (0.28 0.02 0.02) = 0.330% Peak 840 (1.95, 7.75, 117.09 ppm): 8 chemical-shift based assignments, quality = 0.839, support = 0.481, residual support = 0.114: HB2 GLU- 75 - HN ALA 37 12.500% * 32.3772% (0.86 0.61 0.02) = 32.377% kept HB3 LYS+ 55 - HN ALA 37 12.500% * 24.9237% (0.98 0.41 0.02) = 24.924% kept HB VAL 13 - HN ALA 37 12.500% * 23.5975% (0.89 0.43 0.35) = 23.598% kept HB2 GLU- 10 - HN ALA 37 12.500% * 16.7323% (0.56 0.48 0.12) = 16.732% kept HG3 PRO 31 - HN ALA 37 12.500% * 1.2203% (0.99 0.02 0.02) = 1.220% kept HB VAL 73 - HN ALA 37 12.500% * 0.4621% (0.37 0.02 0.02) = 0.462% HG3 PRO 104 - HN ALA 37 12.500% * 0.3800% (0.31 0.02 0.02) = 0.380% HB ILE 29 - HN ALA 37 12.500% * 0.3070% (0.25 0.02 0.02) = 0.307% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 841 (4.01, 7.75, 117.09 ppm): 4 chemical-shift based assignments, quality = 0.921, support = 1.2, residual support = 3.2: HA THR 38 - HN ALA 37 25.000% * 66.3546% (0.99 1.46 4.67) = 66.355% kept HA VAL 13 - HN ALA 37 25.000% * 29.9037% (0.86 0.75 0.35) = 29.904% kept HA1 GLY 92 - HN ALA 37 25.000% * 2.9173% (0.31 0.21 0.02) = 2.917% kept HB THR 95 - HN ALA 37 25.000% * 0.8245% (0.89 0.02 0.02) = 0.824% Reference assignment not found: HB THR 38 - HN ALA 37 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 (0.89) kept Peak 852 (4.23, 9.07, 116.60 ppm): 16 chemical-shift based assignments, quality = 0.942, support = 3.65, residual support = 16.1: * O HA GLU- 54 - HN GLU- 54 6.250% * 93.3135% (0.96 10.0 3.85 17.29) = 93.314% kept HA GLU- 18 - HN GLU- 54 6.250% * 4.7861% (0.96 1.0 1.03 0.18) = 4.786% kept HA ASP- 82 - HN GLU- 54 6.250% * 0.6337% (0.17 1.0 0.75 0.23) = 0.634% HA SER 49 - HN GLU- 54 6.250% * 0.6099% (0.98 1.0 0.13 0.02) = 0.610% HA ALA 42 - HN GLU- 54 6.250% * 0.0965% (0.99 1.0 0.02 0.02) = 0.096% HA GLU- 10 - HN GLU- 54 6.250% * 0.0933% (0.96 1.0 0.02 0.02) = 0.093% HA LYS+ 108 - HN GLU- 54 6.250% * 0.0933% (0.96 1.0 0.02 0.02) = 0.093% HA PRO 59 - HN GLU- 54 6.250% * 0.0739% (0.76 1.0 0.02 0.02) = 0.074% HA GLU- 12 - HN GLU- 54 6.250% * 0.0547% (0.56 1.0 0.02 0.02) = 0.055% HA ALA 11 - HN GLU- 54 6.250% * 0.0509% (0.52 1.0 0.02 0.02) = 0.051% HA ASN 76 - HN GLU- 54 6.250% * 0.0433% (0.45 1.0 0.02 0.02) = 0.043% HB3 SER 49 - HN GLU- 54 6.250% * 0.0429% (0.44 1.0 0.02 0.02) = 0.043% HA GLU- 107 - HN GLU- 54 6.250% * 0.0398% (0.41 1.0 0.02 0.02) = 0.040% HA GLU- 56 - HN GLU- 54 6.250% * 0.0363% (0.37 1.0 0.02 0.02) = 0.036% HA GLU- 75 - HN GLU- 54 6.250% * 0.0169% (0.17 1.0 0.02 0.18) = 0.017% HA GLU- 64 - HN GLU- 54 6.250% * 0.0149% (0.15 1.0 0.02 0.12) = 0.015% Peak 853 (7.80, 9.07, 116.60 ppm): 5 chemical-shift based assignments, quality = 0.88, support = 2.66, residual support = 9.64: * T HN LYS+ 55 - HN GLU- 54 20.000% * 98.2251% (0.89 10.00 2.70 9.81) = 98.225% kept HN LYS+ 63 - HN GLU- 54 20.000% * 1.3792% (0.25 1.00 1.01 0.38) = 1.379% kept HN THR 46 - HN GLU- 54 20.000% * 0.2251% (0.52 1.00 0.08 0.02) = 0.225% HN ALA 93 - HN GLU- 54 20.000% * 0.1086% (0.99 1.00 0.02 0.02) = 0.109% HN VAL 87 - HN GLU- 54 20.000% * 0.0620% (0.56 1.00 0.02 0.02) = 0.062% Peak 854 (2.22, 9.07, 116.60 ppm): 14 chemical-shift based assignments, quality = 0.786, support = 1.36, residual support = 0.388: HB3 PRO 52 - HN GLU- 54 7.143% * 46.6896% (0.86 2.10 0.73) = 46.690% kept HG3 GLU- 64 - HN GLU- 54 7.143% * 20.4662% (0.58 1.38 0.12) = 20.466% kept HB2 GLU- 50 - HN GLU- 54 7.143% * 10.5328% (0.99 0.41 0.02) = 10.533% kept HG3 GLU- 18 - HN GLU- 54 7.143% * 7.9163% (0.99 0.31 0.18) = 7.916% kept HG2 GLU- 64 - HN GLU- 54 7.143% * 3.9336% (0.89 0.17 0.12) = 3.934% kept HG3 GLU- 56 - HN GLU- 54 7.143% * 3.7145% (0.45 0.32 0.02) = 3.715% kept HG2 GLU- 56 - HN GLU- 54 7.143% * 2.8262% (0.34 0.32 0.02) = 2.826% kept HG3 GLN 102 - HN GLU- 54 7.143% * 2.1642% (0.96 0.09 0.02) = 2.164% kept HG3 MET 97 - HN GLU- 54 7.143% * 0.4943% (0.96 0.02 0.02) = 0.494% HB3 PRO 35 - HN GLU- 54 7.143% * 0.4162% (0.81 0.02 0.02) = 0.416% HG3 GLN 16 - HN GLU- 54 7.143% * 0.3314% (0.64 0.02 0.02) = 0.331% HA1 GLY 58 - HN GLU- 54 7.143% * 0.1947% (0.38 0.02 0.02) = 0.195% HG3 GLU- 10 - HN GLU- 54 7.143% * 0.1922% (0.37 0.02 0.02) = 0.192% HB3 ASN 15 - HN GLU- 54 7.143% * 0.1277% (0.25 0.02 0.02) = 0.128% Reference assignment not found: HG3 GLU- 54 - HN GLU- 54 Peak 855 (2.05, 9.07, 116.60 ppm): 12 chemical-shift based assignments, quality = 0.304, support = 2.51, residual support = 14.6: O HB3 GLU- 54 - HN GLU- 54 8.333% * 84.2836% (0.28 10.0 2.83 17.29) = 84.284% kept HG3 GLU- 64 - HN GLU- 54 8.333% * 7.3949% (0.35 1.0 1.38 0.12) = 7.395% kept HB3 GLU- 75 - HN GLU- 54 8.333% * 3.7348% (0.74 1.0 0.33 0.18) = 3.735% kept HB ILE 101 - HN GLU- 54 8.333% * 2.3628% (0.41 1.0 0.38 0.02) = 2.363% kept HB VAL 62 - HN GLU- 54 8.333% * 1.3747% (0.52 1.0 0.17 0.02) = 1.375% kept HB2 GLU- 45 - HN GLU- 54 8.333% * 0.3005% (0.99 1.0 0.02 0.02) = 0.300% HG3 PRO 86 - HN GLU- 54 8.333% * 0.2532% (0.83 1.0 0.02 0.02) = 0.253% HB3 GLU- 45 - HN GLU- 54 8.333% * 0.0936% (0.31 1.0 0.02 0.02) = 0.094% HB3 GLU- 10 - HN GLU- 54 8.333% * 0.0600% (0.20 1.0 0.02 0.02) = 0.060% HB3 PRO 35 - HN GLU- 54 8.333% * 0.0502% (0.16 1.0 0.02 0.02) = 0.050% HB3 PRO 31 - HN GLU- 54 8.333% * 0.0468% (0.15 1.0 0.02 0.02) = 0.047% HA1 GLY 58 - HN GLU- 54 8.333% * 0.0450% (0.15 1.0 0.02 0.02) = 0.045% Reference assignment not found: HG3 ARG+ 53 - HN GLU- 54 Peak 856 (1.91, 9.07, 116.60 ppm): 9 chemical-shift based assignments, quality = 0.888, support = 3.19, residual support = 22.6: HB3 ARG+ 53 - HN GLU- 54 11.111% * 80.3171% (0.92 3.90 28.15) = 80.317% kept HD3 LYS+ 63 - HN GLU- 54 11.111% * 7.7046% (0.92 0.37 0.38) = 7.705% kept HB3 GLU- 56 - HN GLU- 54 11.111% * 5.2455% (0.72 0.32 0.02) = 5.246% kept HG2 GLU- 18 - HN GLU- 54 11.111% * 3.9164% (0.56 0.31 0.18) = 3.916% kept HB3 GLN 102 - HN GLU- 54 11.111% * 1.9509% (0.99 0.09 0.02) = 1.951% kept HB2 LEU 23 - HN GLU- 54 11.111% * 0.3068% (0.68 0.02 0.02) = 0.307% HB3 GLN 16 - HN GLU- 54 11.111% * 0.2528% (0.56 0.02 0.02) = 0.253% HB ILE 29 - HN GLU- 54 11.111% * 0.2174% (0.48 0.02 0.02) = 0.217% HB2 GLU- 10 - HN GLU- 54 11.111% * 0.0884% (0.20 0.02 0.02) = 0.088% Reference assignment not found: HB3 GLU- 54 - HN GLU- 54 Peak 857 (4.12, 9.07, 116.60 ppm): 9 chemical-shift based assignments, quality = 0.717, support = 3.91, residual support = 27.5: * O HA ARG+ 53 - HN GLU- 54 11.111% * 97.6161% (0.72 10.0 4.00 28.15) = 97.616% kept HA LYS+ 63 - HN GLU- 54 11.111% * 1.8590% (0.60 1.0 0.46 0.38) = 1.859% kept HA THR 46 - HN GLU- 54 11.111% * 0.1272% (0.94 1.0 0.02 0.02) = 0.127% HB3 SER 49 - HN GLU- 54 11.111% * 0.1201% (0.89 1.0 0.02 0.02) = 0.120% HA ALA 70 - HN GLU- 54 11.111% * 0.0870% (0.64 1.0 0.02 0.02) = 0.087% HD2 PRO 59 - HN GLU- 54 11.111% * 0.0761% (0.56 1.0 0.02 0.02) = 0.076% 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% (0.28 1.0 0.02 0.02) = 0.037% HB2 SER 88 - HN GLU- 54 11.111% * 0.0266% (0.20 1.0 0.02 0.02) = 0.027% Peak 858 (8.43, 9.07, 116.60 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 4.16, residual support = 26.5: * T HN ARG+ 53 - HN GLU- 54 25.000% * 94.0108% (0.99 10.00 4.38 28.15) = 94.011% kept HN GLU- 75 - HN GLU- 54 25.000% * 4.3242% (0.99 1.00 0.93 0.18) = 4.324% kept HN HIS+ 14 - HN GLU- 54 25.000% * 1.4062% (0.86 1.00 0.34 0.02) = 1.406% kept HN LEU 74 - HN GLU- 54 25.000% * 0.2588% (0.52 1.00 0.10 0.02) = 0.259% Peak 859 (1.78, 9.07, 116.60 ppm): 8 chemical-shift based assignments, quality = 0.89, support = 3.89, residual support = 17.7: HG3 ARG+ 53 - HN GLU- 54 12.500% * 62.5435% (0.96 5.46 28.15) = 62.544% kept HG3 LYS+ 63 - HN GLU- 54 12.500% * 17.2311% (0.86 1.67 0.38) = 17.231% kept HB3 LYS+ 63 - HN GLU- 54 12.500% * 8.3057% (0.45 1.56 0.38) = 8.306% kept HB3 GLU- 18 - HN GLU- 54 12.500% * 5.8006% (0.98 0.50 0.18) = 5.801% kept HG2 PRO 31 - HN GLU- 54 12.500% * 5.6527% (0.83 0.57 0.02) = 5.653% kept HB2 LEU 17 - HN GLU- 54 12.500% * 0.3233% (0.28 0.10 0.02) = 0.323% HB3 LYS+ 108 - HN GLU- 54 12.500% * 0.1064% (0.45 0.02 0.02) = 0.106% HB3 ARG+ 84 - HN GLU- 54 12.500% * 0.0366% (0.15 0.02 0.02) = 0.037% Reference assignment not found: HB3 ARG+ 53 - HN GLU- 54 Peak 860 (4.02, 7.87, 116.41 ppm): 5 chemical-shift based assignments, quality = 0.68, support = 3.97, residual support = 20.0: O HA THR 38 - HN THR 38 20.000% * 99.1811% (0.69 10.0 4.01 20.13) = 99.181% kept HA VAL 13 - HN THR 38 20.000% * 0.6846% (0.98 1.0 0.10 0.02) = 0.685% 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% * 0.0401% (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% Reference assignment not found: HB THR 38 - HN THR 38 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): 11 chemical-shift based assignments, quality = 0.769, support = 2.29, residual support = 9.54: QB ALA 37 - HN THR 38 9.091% * 40.7494% (1.00 2.10 4.67) = 40.749% kept * QG2 THR 38 - HN THR 38 9.091% * 37.6236% (0.57 3.42 20.13) = 37.624% kept QB ALA 91 - HN THR 38 9.091% * 11.9987% (0.65 0.96 0.48) = 11.999% kept HG LEU 67 - HN THR 38 9.091% * 7.5872% (0.94 0.41 0.12) = 7.587% kept HG13 ILE 68 - HN THR 38 9.091% * 0.5647% (0.22 0.13 0.02) = 0.565% HG13 ILE 100 - HN THR 38 9.091% * 0.3583% (0.92 0.02 0.02) = 0.358% QB ALA 93 - HN THR 38 9.091% * 0.3583% (0.92 0.02 0.02) = 0.358% HD3 LYS+ 44 - HN THR 38 9.091% * 0.2967% (0.76 0.02 0.02) = 0.297% HD3 LYS+ 20 - HN THR 38 9.091% * 0.2354% (0.61 0.02 0.29) = 0.235% HG3 LYS+ 55 - HN THR 38 9.091% * 0.1596% (0.41 0.02 0.02) = 0.160% HG LEU 90 - HN THR 38 9.091% * 0.0680% (0.17 0.02 0.02) = 0.068% 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 0.30 Peak unassigned. Peak 864 (0.90, 7.87, 116.41 ppm): 7 chemical-shift based assignments, quality = 0.832, support = 0.922, residual support = 0.97: QG1 VAL 80 - HN THR 38 14.286% * 31.5082% (0.73 1.55 1.82) = 31.508% kept QG2 VAL 40 - HN THR 38 14.286% * 22.7547% (0.98 0.83 0.71) = 22.755% kept QG2 VAL 87 - HN THR 38 14.286% * 12.1130% (0.98 0.44 0.02) = 12.113% kept QG2 VAL 80 - HN THR 38 14.286% * 11.9657% (0.45 0.95 1.82) = 11.966% kept QD1 LEU 67 - HN THR 38 14.286% * 10.7217% (1.00 0.38 0.12) = 10.722% kept QG1 VAL 47 - HN THR 38 14.286% * 9.9197% (1.00 0.36 0.02) = 9.920% kept HG12 ILE 68 - HN THR 38 14.286% * 1.0170% (0.28 0.13 0.02) = 1.017% kept Peak 865 (4.37, 7.87, 116.41 ppm): 11 chemical-shift based assignments, quality = 0.938, support = 1.85, residual support = 4.64: * O HA ALA 37 - HN THR 38 9.091% * 99.2461% (0.94 10.0 1.86 4.67) = 99.246% kept HA TRP 51 - HN THR 38 9.091% * 0.1125% (1.00 1.0 0.02 0.02) = 0.113% HA LYS+ 60 - HN THR 38 9.091% * 0.1118% (0.99 1.0 0.02 0.02) = 0.112% HB THR 61 - HN THR 38 9.091% * 0.1067% (0.94 1.0 0.02 0.02) = 0.107% HA SER 27 - HN THR 38 9.091% * 0.1041% (0.92 1.0 0.02 0.02) = 0.104% HA2 GLY 26 - HN THR 38 9.091% * 0.0978% (0.87 1.0 0.02 0.02) = 0.098% HA ALA 91 - HN THR 38 9.091% * 0.0819% (0.73 1.0 0.02 0.48) = 0.082% HA SER 88 - HN THR 38 9.091% * 0.0684% (0.61 1.0 0.02 0.02) = 0.068% HA ASN 57 - HN THR 38 9.091% * 0.0281% (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 = 0.835, support = 2.66, residual support = 12.1: * T HN THR 39 - HN THR 38 25.000% * 85.1360% (0.83 10.00 2.80 14.00) = 85.136% kept HN VAL 80 - HN THR 38 25.000% * 10.4041% (0.87 1.00 2.35 1.82) = 10.404% kept HN VAL 73 - HN THR 38 25.000% * 3.5434% (0.96 1.00 0.72 0.26) = 3.543% kept HN LYS+ 20 - HN THR 38 25.000% * 0.9165% (0.25 1.00 0.72 0.29) = 0.916% Peak 867 (2.25, 7.87, 116.41 ppm): 15 chemical-shift based assignments, quality = 0.52, support = 0.493, residual support = 1.07: HB VAL 80 - HN THR 38 6.667% * 58.5374% (0.45 0.79 1.82) = 58.537% kept HA1 GLY 58 - HN THR 38 6.667% * 11.2800% (0.43 0.16 0.02) = 11.280% kept HG3 GLU- 18 - HN THR 38 6.667% * 3.5765% (0.17 0.12 0.02) = 3.576% kept HB3 ASN 15 - HN THR 38 6.667% * 3.1708% (0.96 0.02 0.02) = 3.171% kept HB3 PRO 35 - HN THR 38 6.667% * 2.9959% (0.91 0.02 0.02) = 2.996% kept HG2 GLU- 56 - HN THR 38 6.667% * 2.9466% (0.90 0.02 0.02) = 2.947% kept HG3 GLU- 107 - HN THR 38 6.667% * 2.8500% (0.87 0.02 0.02) = 2.850% kept HG3 GLU- 10 - HN THR 38 6.667% * 2.8500% (0.87 0.02 0.02) = 2.850% kept HG3 GLU- 54 - HN THR 38 6.667% * 2.6309% (0.80 0.02 0.02) = 2.631% kept HG3 GLU- 56 - HN THR 38 6.667% * 2.6309% (0.80 0.02 0.02) = 2.631% kept HG2 GLU- 64 - HN THR 38 6.667% * 2.1316% (0.65 0.02 0.02) = 2.132% kept HG3 GLU- 75 - HN THR 38 6.667% * 1.2331% (0.37 0.02 0.02) = 1.233% kept HB3 PRO 52 - HN THR 38 6.667% * 1.2331% (0.37 0.02 0.02) = 1.233% kept HG3 GLU- 64 - HN THR 38 6.667% * 1.1143% (0.34 0.02 0.02) = 1.114% kept HG3 GLN 102 - HN THR 38 6.667% * 0.8193% (0.25 0.02 0.02) = 0.819% 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): 7 chemical-shift based assignments, quality = 0.985, support = 4.05, residual support = 18.2: * QG2 VAL 87 - HN VAL 87 14.286% * 88.4078% (1.00 4.55 20.58) = 88.408% kept QG1 VAL 80 - HN VAL 87 14.286% * 6.6230% (0.87 0.39 0.02) = 6.623% kept QG2 VAL 40 - HN VAL 87 14.286% * 1.6931% (1.00 0.09 0.02) = 1.693% kept QG1 VAL 47 - HN VAL 87 14.286% * 1.6076% (0.98 0.08 0.02) = 1.608% kept QD1 LEU 67 - HN VAL 87 14.286% * 1.4801% (0.94 0.08 0.02) = 1.480% kept QG2 VAL 80 - HN VAL 87 14.286% * 0.1202% (0.31 0.02 0.02) = 0.120% HG12 ILE 68 - HN VAL 87 14.286% * 0.0682% (0.17 0.02 0.02) = 0.068% Peak 870 (4.46, 7.79, 116.60 ppm): 5 chemical-shift based assignments, quality = 0.885, support = 1.07, residual support = 0.834: HA GLU- 50 - HN VAL 87 20.000% * 55.8235% (0.87 1.48 1.48) = 55.824% kept HA ILE 100 - HN VAL 87 20.000% * 21.7758% (0.92 0.54 0.02) = 21.776% kept HA GLN 102 - HN VAL 87 20.000% * 21.7758% (0.92 0.54 0.02) = 21.776% kept HA LYS+ 32 - HN VAL 87 20.000% * 0.4911% (0.57 0.02 0.02) = 0.491% HA SER 77 - HN VAL 87 20.000% * 0.1338% (0.15 0.02 0.02) = 0.134% 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 = 0.905, support = 3.49, residual support = 19.2: O HA VAL 87 - HN VAL 87 12.500% * 86.1645% (0.90 10.0 3.69 20.58) = 86.164% kept * HB2 SER 88 - HN VAL 87 12.500% * 11.8944% (0.98 1.0 2.53 12.66) = 11.894% kept HB3 SER 49 - HN VAL 87 12.500% * 1.6508% (1.00 1.0 0.34 0.02) = 1.651% kept HA2 GLY 71 - HN VAL 87 12.500% * 0.0803% (0.83 1.0 0.02 0.02) = 0.080% HD2 PRO 59 - HN VAL 87 12.500% * 0.0622% (0.65 1.0 0.02 0.02) = 0.062% HA VAL 105 - HN VAL 87 12.500% * 0.0505% (0.53 1.0 0.02 0.02) = 0.051% HB THR 106 - HN VAL 87 12.500% * 0.0505% (0.53 1.0 0.02 0.02) = 0.051% HA ARG+ 53 - HN VAL 87 12.500% * 0.0468% (0.49 1.0 0.02 0.02) = 0.047% Peak 872 (2.11, 7.79, 116.60 ppm): 11 chemical-shift based assignments, quality = 0.83, support = 2.9, residual support = 19.5: * O HB VAL 87 - HN VAL 87 9.091% * 94.9722% (0.83 10.0 3.03 20.58) = 94.972% kept HB3 GLU- 75 - HN VAL 87 9.091% * 3.4221% (0.98 1.0 0.62 0.02) = 3.422% kept HG2 GLU- 45 - HN VAL 87 9.091% * 1.1072% (0.37 1.0 0.52 0.11) = 1.107% kept HB3 LEU 43 - HN VAL 87 9.091% * 0.1115% (0.98 1.0 0.02 0.02) = 0.111% HB VAL 65 - HN VAL 87 9.091% * 0.0986% (0.87 1.0 0.02 0.02) = 0.099% HG3 GLU- 64 - HN VAL 87 9.091% * 0.0940% (0.83 1.0 0.02 0.02) = 0.094% HB VAL 105 - HN VAL 87 9.091% * 0.0644% (0.57 1.0 0.02 0.02) = 0.064% HG2 GLU- 64 - HN VAL 87 9.091% * 0.0507% (0.45 1.0 0.02 0.02) = 0.051% HB3 PRO 35 - HN VAL 87 9.091% * 0.0379% (0.33 1.0 0.02 0.02) = 0.038% HA1 GLY 58 - HN VAL 87 9.091% * 0.0239% (0.21 1.0 0.02 0.02) = 0.024% HB2 ASP- 28 - HN VAL 87 9.091% * 0.0175% (0.15 1.0 0.02 0.02) = 0.018% Peak 873 (3.85, 7.79, 116.60 ppm): 7 chemical-shift based assignments, quality = 0.564, support = 1.99, residual support = 7.58: HB3 SER 88 - HN VAL 87 14.286% * 52.8340% (0.69 2.28 12.66) = 52.834% kept HB2 SER 85 - HN VAL 87 14.286% * 23.5477% (0.65 1.08 0.11) = 23.548% kept HD3 PRO 86 - HN VAL 87 14.286% * 17.4019% (0.17 2.95 4.93) = 17.402% kept HA GLU- 45 - HN VAL 87 14.286% * 4.3782% (0.34 0.38 0.11) = 4.378% kept HA2 GLY 92 - HN VAL 87 14.286% * 1.1771% (0.37 0.09 0.02) = 1.177% kept HB3 SER 77 - HN VAL 87 14.286% * 0.4084% (0.61 0.02 0.02) = 0.408% HB3 SER 27 - HN VAL 87 14.286% * 0.2527% (0.37 0.02 0.02) = 0.253% Reference assignment not found: HA VAL 87 - HN VAL 87 Peak 874 (8.11, 7.79, 116.60 ppm): 2 chemical-shift based assignments, quality = 0.921, support = 3.35, residual support = 12.7: * T HN SER 88 - HN VAL 87 50.000% * 99.9173% (0.92 10.00 3.35 12.66) = 99.917% kept HN GLY 26 - HN VAL 87 50.000% * 0.0827% (0.76 1.00 0.02 0.02) = 0.083% Peak 875 (2.32, 7.79, 116.60 ppm): 5 chemical-shift based assignments, quality = 0.669, support = 1.86, residual support = 4.92: O HB3 PRO 86 - HN VAL 87 20.000% * 79.0965% (0.80 10.0 1.68 4.93) = 79.096% kept * O HB2 PRO 86 - HN VAL 87 20.000% * 20.6073% (0.17 10.0 2.57 4.93) = 20.607% kept HB3 PRO 35 - HN VAL 87 20.000% * 0.1167% (0.99 1.0 0.02 0.02) = 0.117% HB2 TYR 83 - HN VAL 87 20.000% * 0.1113% (0.94 1.0 0.02 0.14) = 0.111% HA1 GLY 58 - HN VAL 87 20.000% * 0.0682% (0.58 1.0 0.02 0.02) = 0.068% Peak 876 (7.31, 7.66, 116.50 ppm): 7 chemical-shift based assignments, quality = 0.92, support = 2.76, residual support = 8.17: * HN ARG+ 84 - HN TYR 83 14.286% * 92.7666% (0.96 2.96 8.81) = 92.767% kept QE PHE 34 - HN TYR 83 14.286% * 3.1216% (0.45 0.21 0.02) = 3.122% kept HZ2 TRP 51 - HN TYR 83 14.286% * 1.2995% (0.45 0.09 0.02) = 1.299% kept HZ PHE 34 - HN TYR 83 14.286% * 1.2995% (0.45 0.09 0.02) = 1.299% kept HN VAL 47 - HN TYR 83 14.286% * 0.6143% (0.94 0.02 0.53) = 0.614% QD PHE 34 - HN TYR 83 14.286% * 0.5824% (0.90 0.02 0.02) = 0.582% HN ILE 48 - HN TYR 83 14.286% * 0.3161% (0.49 0.02 0.02) = 0.316% 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): 5 chemical-shift based assignments, quality = 0.782, support = 3.45, residual support = 54.4: * O HB2 TYR 83 - HN TYR 83 20.000% * 94.4039% (0.80 10.0 3.59 57.49) = 94.404% kept HA1 GLY 58 - HN TYR 83 20.000% * 4.8122% (0.57 1.0 1.43 1.57) = 4.812% kept HB3 PRO 35 - HN TYR 83 20.000% * 0.6359% (0.99 1.0 0.11 0.56) = 0.636% HB3 PRO 86 - HN TYR 83 20.000% * 0.1115% (0.94 1.0 0.02 0.02) = 0.112% HB2 PRO 86 - HN TYR 83 20.000% * 0.0364% (0.31 1.0 0.02 0.02) = 0.036% Peak 879 (7.05, 7.66, 116.50 ppm): 2 chemical-shift based assignments, quality = 0.869, support = 4.87, residual support = 52.2: * QD TYR 83 - HN TYR 83 50.000% * 90.7809% (0.87 5.32 57.49) = 90.781% kept QE PHE 21 - HN TYR 83 50.000% * 9.2191% (0.90 0.52 0.02) = 9.219% kept Peak 880 (3.36, 7.66, 116.50 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 3.59, residual support = 57.5: * O HB3 TYR 83 - HN TYR 83 100.000% *100.0000% (0.76 10.0 3.59 57.49) = 100.000% kept Peak 881 (4.21, 7.66, 116.50 ppm): 9 chemical-shift based assignments, quality = 0.892, support = 4.01, residual support = 18.5: * O HA ASP- 82 - HN TYR 83 11.111% * 99.5839% (0.90 10.0 4.03 18.62) = 99.584% kept HA GLU- 12 - HN TYR 83 11.111% * 0.1050% (0.94 1.0 0.02 0.02) = 0.105% HB3 SER 49 - HN TYR 83 11.111% * 0.0698% (0.63 1.0 0.02 0.02) = 0.070% HA GLU- 18 - HN TYR 83 11.111% * 0.0584% (0.53 1.0 0.02 0.02) = 0.058% 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 LYS+ 108 - HN TYR 83 11.111% * 0.0277% (0.25 1.0 0.02 0.02) = 0.028% HA GLU- 10 - 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): 14 chemical-shift based assignments, quality = 0.669, support = 3.7, residual support = 14.9: * HB2 ASP- 82 - HN TYR 83 7.143% * 79.1439% (0.73 4.47 18.62) = 79.144% kept HA1 GLY 58 - HN TYR 83 7.143% * 10.1212% (0.29 1.43 1.57) = 10.121% kept HG3 GLU- 64 - HN TYR 83 7.143% * 3.6857% (0.97 0.16 0.02) = 3.686% kept HG2 GLU- 64 - HN TYR 83 7.143% * 2.3226% (0.93 0.10 0.02) = 2.323% kept HB3 PRO 35 - HN TYR 83 7.143% * 1.5173% (0.57 0.11 0.56) = 1.517% kept HB3 GLU- 75 - HN TYR 83 7.143% * 0.9155% (0.48 0.08 0.02) = 0.915% HG2 PRO 104 - HN TYR 83 7.143% * 0.4861% (1.00 0.02 0.02) = 0.486% HG2 GLN 102 - HN TYR 83 7.143% * 0.3723% (0.76 0.02 0.02) = 0.372% HB VAL 47 - HN TYR 83 7.143% * 0.3346% (0.69 0.02 0.53) = 0.335% HG2 GLN 16 - HN TYR 83 7.143% * 0.2758% (0.57 0.02 0.02) = 0.276% HB3 PRO 104 - HN TYR 83 7.143% * 0.2563% (0.53 0.02 0.02) = 0.256% HB3 LYS+ 78 - HN TYR 83 7.143% * 0.2563% (0.53 0.02 1.91) = 0.256% HB VAL 99 - HN TYR 83 7.143% * 0.2371% (0.49 0.02 0.02) = 0.237% HB2 ASP- 28 - HN TYR 83 7.143% * 0.0752% (0.15 0.02 0.02) = 0.075% Peak 883 (2.64, 7.66, 116.50 ppm): 5 chemical-shift based assignments, quality = 0.872, support = 3.31, residual support = 13.0: * HB3 ASP- 82 - HN TYR 83 20.000% * 67.4628% (0.87 4.28 18.62) = 67.463% kept HA1 GLY 58 - HN TYR 83 20.000% * 26.0504% (1.00 1.43 1.57) = 26.050% kept HB2 ASP- 25 - HN TYR 83 20.000% * 6.1082% (0.45 0.75 0.02) = 6.108% kept HB3 ASP- 36 - HN TYR 83 20.000% * 0.2777% (0.76 0.02 0.02) = 0.278% HE2 LYS+ 20 - HN TYR 83 20.000% * 0.1010% (0.28 0.02 0.02) = 0.101% Peak 884 (7.53, 7.66, 116.50 ppm): 1 chemical-shift based assignment, quality = 0.964, support = 4.23, residual support = 18.6: * T HN ASP- 82 - HN TYR 83 100.000% *100.0000% (0.96 10.00 4.23 18.62) = 100.000% kept 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): 12 chemical-shift based assignments, quality = 0.591, support = 1.33, residual support = 2.5: HG2 PRO 86 - HN GLU- 64 8.333% * 29.2152% (0.37 2.58 2.89) = 29.215% kept HG3 PRO 86 - HN GLU- 64 8.333% * 15.4679% (0.56 0.91 2.89) = 15.468% kept HB3 GLU- 45 - HN GLU- 64 8.333% * 15.4631% (0.99 0.52 1.10) = 15.463% kept HG3 GLU- 64 - HN GLU- 64 8.333% * 12.2864% (0.19 2.09 8.11) = 12.286% kept HB3 GLU- 54 - HN GLU- 64 8.333% * 11.9752% (0.99 0.40 0.12) = 11.975% kept HB3 GLU- 107 - HN GLU- 64 8.333% * 10.9997% (0.83 0.44 0.02) = 11.000% kept HB2 GLU- 45 - HN GLU- 64 8.333% * 2.5089% (0.31 0.27 1.10) = 2.509% kept HB3 GLU- 10 - HN GLU- 64 8.333% * 0.5973% (0.99 0.02 0.02) = 0.597% HB3 PRO 31 - HN GLU- 64 8.333% * 0.5816% (0.96 0.02 0.02) = 0.582% HB2 GLU- 18 - HN GLU- 64 8.333% * 0.3412% (0.56 0.02 0.02) = 0.341% HB3 GLU- 75 - HN GLU- 64 8.333% * 0.2933% (0.48 0.02 0.02) = 0.293% HB2 HIS+ 14 - HN GLU- 64 8.333% * 0.2702% (0.45 0.02 0.02) = 0.270% Reference assignment not found: HB VAL 62 - HN GLU- 64 Peak 889 (2.30, 7.40, 116.14 ppm): 8 chemical-shift based assignments, quality = 0.746, support = 1.88, residual support = 3.25: HB2 PRO 86 - HN GLU- 64 12.500% * 39.7341% (0.96 1.72 2.89) = 39.734% kept HB3 PRO 86 - HN GLU- 64 12.500% * 36.5690% (0.64 2.36 2.89) = 36.569% kept HG2 GLU- 64 - HN GLU- 64 12.500% * 12.7164% (0.23 2.33 8.11) = 12.716% kept HB3 PRO 35 - HN GLU- 64 12.500% * 9.3460% (0.99 0.39 0.02) = 9.346% kept HB2 LYS+ 44 - HN GLU- 64 12.500% * 1.2407% (0.60 0.09 0.56) = 1.241% kept HA1 GLY 58 - HN GLU- 64 12.500% * 0.2548% (0.53 0.02 0.02) = 0.255% HB2 TYR 83 - HN GLU- 64 12.500% * 0.0740% (0.15 0.02 0.02) = 0.074% HG3 GLU- 75 - HN GLU- 64 12.500% * 0.0649% (0.13 0.02 0.02) = 0.065% Reference assignment not found: HG3 GLU- 64 - HN GLU- 64 Peak 890 (7.82, 7.40, 116.14 ppm): 3 chemical-shift based assignments, quality = 0.936, support = 4.25, residual support = 14.7: * T HN LYS+ 63 - HN GLU- 64 33.333% * 97.9941% (0.94 10.00 4.33 15.02) = 97.994% kept HN LYS+ 55 - HN GLU- 64 33.333% * 1.9706% (0.68 1.00 0.55 0.39) = 1.971% kept HN ALA 93 - HN GLU- 64 33.333% * 0.0353% (0.34 1.00 0.02 0.02) = 0.035% Peak 891 (7.57, 7.40, 116.14 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 1.42, residual support = 4.17: * T HN VAL 65 - HN GLU- 64 33.333% * 99.8836% (1.00 10.00 1.42 4.17) = 99.884% kept HN LYS+ 78 - HN GLU- 64 33.333% * 0.0685% (0.48 1.00 0.02 0.02) = 0.068% HD21 ASN 15 - HN GLU- 64 33.333% * 0.0480% (0.34 1.00 0.02 0.02) = 0.048% Peak 892 (4.25, 7.40, 116.14 ppm): 21 chemical-shift based assignments, quality = 0.484, support = 2.46, residual support = 6.8: O HA GLU- 64 - HN GLU- 64 4.762% * 78.7161% (0.48 10.0 2.68 8.11) = 78.716% kept HA SER 49 - HN GLU- 64 4.762% * 7.8507% (0.64 1.0 1.50 2.10) = 7.851% kept HB3 SER 49 - HN GLU- 64 4.762% * 7.7898% (0.35 1.0 2.71 2.10) = 7.790% kept HA GLU- 54 - HN GLU- 64 4.762% * 2.2440% (0.89 1.0 0.31 0.12) = 2.244% kept * HA VAL 65 - HN GLU- 64 4.762% * 1.9227% (0.22 1.0 1.07 4.17) = 1.923% kept HA PRO 59 - HN GLU- 64 4.762% * 0.1617% (1.00 1.0 0.02 0.02) = 0.162% HA ALA 11 - HN GLU- 64 4.762% * 0.1493% (0.92 1.0 0.02 0.02) = 0.149% HA GLU- 10 - HN GLU- 64 4.762% * 0.1450% (0.89 1.0 0.02 0.02) = 0.145% HA LYS+ 108 - HN GLU- 64 4.762% * 0.1450% (0.89 1.0 0.02 0.02) = 0.145% HA ASN 76 - HN GLU- 64 4.762% * 0.1403% (0.86 1.0 0.02 0.02) = 0.140% HA GLU- 107 - HN GLU- 64 4.762% * 0.1351% (0.83 1.0 0.02 0.02) = 0.135% HA GLU- 56 - HN GLU- 64 4.762% * 0.1295% (0.80 1.0 0.02 0.39) = 0.129% HA ALA 42 - HN GLU- 64 4.762% * 0.1174% (0.72 1.0 0.02 0.02) = 0.117% HA GLU- 18 - HN GLU- 64 4.762% * 0.0981% (0.60 1.0 0.02 0.02) = 0.098% HA GLU- 75 - HN GLU- 64 4.762% * 0.0851% (0.52 1.0 0.02 0.02) = 0.085% HA GLU- 12 - HN GLU- 64 4.762% * 0.0320% (0.20 1.0 0.02 0.02) = 0.032% HD3 PRO 59 - HN GLU- 64 4.762% * 0.0283% (0.17 1.0 0.02 0.02) = 0.028% HA SER 85 - HN GLU- 64 4.762% * 0.0283% (0.17 1.0 0.02 0.02) = 0.028% HA PRO 52 - HN GLU- 64 4.762% * 0.0283% (0.17 1.0 0.02 0.02) = 0.028% HA ARG+ 84 - HN GLU- 64 4.762% * 0.0283% (0.17 1.0 0.02 0.02) = 0.028% HA VAL 94 - HN GLU- 64 4.762% * 0.0250% (0.15 1.0 0.02 0.02) = 0.025% Peak 893 (1.80, 7.40, 116.14 ppm): 9 chemical-shift based assignments, quality = 0.765, support = 3.48, residual support = 14.6: * HB3 LYS+ 63 - HN GLU- 64 11.111% * 61.1338% (0.92 3.53 15.02) = 61.134% kept HG3 LYS+ 63 - HN GLU- 64 11.111% * 36.1561% (0.52 3.66 15.02) = 36.156% kept HB3 ARG+ 84 - HN GLU- 64 11.111% * 1.4887% (0.96 0.08 0.02) = 1.489% kept HB3 LYS+ 108 - HN GLU- 64 11.111% * 0.3466% (0.92 0.02 0.02) = 0.347% HD3 LYS+ 72 - HN GLU- 64 11.111% * 0.2579% (0.68 0.02 0.02) = 0.258% HG2 PRO 31 - HN GLU- 64 11.111% * 0.2126% (0.56 0.02 0.02) = 0.213% HG3 LYS+ 108 - HN GLU- 64 11.111% * 0.1976% (0.52 0.02 0.02) = 0.198% HG3 ARG+ 53 - HN GLU- 64 11.111% * 0.1409% (0.37 0.02 0.02) = 0.141% HB3 GLU- 18 - HN GLU- 64 11.111% * 0.0658% (0.17 0.02 0.02) = 0.066% Peak 894 (0.70, 7.40, 116.14 ppm): 11 chemical-shift based assignments, quality = 0.89, support = 2.28, residual support = 2.27: QG2 ILE 48 - HN GLU- 64 9.091% * 63.6893% (0.93 3.10 3.10) = 63.689% kept QG2 THR 96 - HN GLU- 64 9.091% * 16.1243% (0.98 0.75 0.73) = 16.124% kept QG2 ILE 101 - HN GLU- 64 9.091% * 13.3042% (0.99 0.61 0.02) = 13.304% kept * QG1 VAL 62 - HN GLU- 64 9.091% * 5.4589% (0.13 1.84 3.30) = 5.459% kept QD1 ILE 19 - HN GLU- 64 9.091% * 0.2838% (0.64 0.02 0.02) = 0.284% QG2 VAL 94 - HN GLU- 64 9.091% * 0.2484% (0.56 0.02 0.02) = 0.248% QG2 ILE 68 - HN GLU- 64 9.091% * 0.2484% (0.56 0.02 0.02) = 0.248% HG LEU 74 - HN GLU- 64 9.091% * 0.2484% (0.56 0.02 0.02) = 0.248% HG12 ILE 19 - HN GLU- 64 9.091% * 0.2308% (0.52 0.02 0.02) = 0.231% QG1 VAL 40 - HN GLU- 64 9.091% * 0.0868% (0.20 0.02 0.02) = 0.087% QD1 ILE 68 - HN GLU- 64 9.091% * 0.0768% (0.17 0.02 0.02) = 0.077% 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): 6 chemical-shift based assignments, quality = 0.662, support = 4.31, residual support = 29.6: * O HB3 ASP- 82 - HN ASP- 82 16.667% * 91.0978% (0.63 10.0 4.61 32.49) = 91.098% kept HA1 GLY 58 - HN ASP- 82 16.667% * 8.6382% (0.98 1.0 1.23 0.27) = 8.638% kept HB2 ASP- 25 - HN ASP- 82 16.667% * 0.0967% (0.67 1.0 0.02 0.02) = 0.097% HB3 ASP- 36 - HN ASP- 82 16.667% * 0.0741% (0.52 1.0 0.02 0.02) = 0.074% HE2 LYS+ 20 - HN ASP- 82 16.667% * 0.0685% (0.48 1.0 0.02 0.02) = 0.069% HB2 PHE 34 - HN ASP- 82 16.667% * 0.0247% (0.17 1.0 0.02 0.02) = 0.025% Peak 905 (2.15, 7.53, 115.71 ppm): 15 chemical-shift based assignments, quality = 0.392, support = 3.11, residual support = 24.8: * O HB2 ASP- 82 - HN ASP- 82 6.667% * 76.0243% (0.30 10.0 3.88 32.49) = 76.024% kept HB3 LYS+ 78 - HN ASP- 82 6.667% * 8.5266% (0.90 1.0 0.75 1.18) = 8.527% kept HB VAL 47 - HN ASP- 82 6.667% * 5.7879% (0.97 1.0 0.47 0.34) = 5.788% kept HA1 GLY 58 - HN ASP- 82 6.667% * 4.1300% (0.27 1.0 1.23 0.27) = 4.130% kept HB3 PRO 35 - HN ASP- 82 6.667% * 2.7100% (0.52 1.0 0.42 0.02) = 2.710% kept HG2 GLN 102 - HN ASP- 82 6.667% * 1.0344% (0.33 1.0 0.25 0.02) = 1.034% kept HG3 GLU- 64 - HN ASP- 82 6.667% * 0.9270% (0.98 1.0 0.08 0.02) = 0.927% HG2 GLU- 64 - HN ASP- 82 6.667% * 0.2126% (0.85 1.0 0.02 0.02) = 0.213% HG2 PRO 104 - HN ASP- 82 6.667% * 0.1972% (0.78 1.0 0.02 0.02) = 0.197% HB3 GLU- 75 - HN ASP- 82 6.667% * 0.1455% (0.58 1.0 0.02 0.02) = 0.146% HB2 ASP- 28 - HN ASP- 82 6.667% * 0.1199% (0.48 1.0 0.02 0.02) = 0.120% HG2 GLU- 45 - HN ASP- 82 6.667% * 0.0548% (0.22 1.0 0.02 0.02) = 0.055% HG2 GLN 16 - HN ASP- 82 6.667% * 0.0487% (0.19 1.0 0.02 0.02) = 0.049% HB3 PRO 104 - HN ASP- 82 6.667% * 0.0431% (0.17 1.0 0.02 0.02) = 0.043% HB VAL 99 - HN ASP- 82 6.667% * 0.0380% (0.15 1.0 0.02 0.02) = 0.038% Peak 906 (4.19, 7.53, 115.71 ppm): 6 chemical-shift based assignments, quality = 0.51, support = 3.52, residual support = 30.9: * O HA ASP- 82 - HN ASP- 82 16.667% * 95.1396% (0.52 10.0 3.70 32.49) = 95.140% kept HB3 SER 49 - HN ASP- 82 16.667% * 2.4284% (0.82 1.0 0.32 0.02) = 2.428% kept HA VAL 105 - HN ASP- 82 16.667% * 0.8980% (0.22 1.0 0.45 0.02) = 0.898% HB THR 106 - HN ASP- 82 16.667% * 0.8980% (0.22 1.0 0.45 0.68) = 0.898% HA GLU- 12 - HN ASP- 82 16.667% * 0.4912% (0.15 1.0 0.35 0.02) = 0.491% HA VAL 73 - HN ASP- 82 16.667% * 0.1448% (0.78 1.0 0.02 0.02) = 0.145% Peak 907 (1.64, 7.53, 115.71 ppm): 11 chemical-shift based assignments, quality = 0.541, support = 1.94, residual support = 3.14: HB3 ARG+ 22 - HN ASP- 82 9.091% * 27.7966% (0.95 1.50 1.49) = 27.797% kept HG LEU 23 - HN ASP- 82 9.091% * 24.7780% (0.52 2.46 3.07) = 24.778% kept HG12 ILE 101 - HN ASP- 82 9.091% * 15.2070% (0.44 1.77 1.08) = 15.207% kept HB3 LYS+ 81 - HN ASP- 82 9.091% * 12.1639% (0.17 3.63 13.94) = 12.164% kept * HG3 LYS+ 78 - HN ASP- 82 9.091% * 7.5251% (0.19 1.99 1.18) = 7.525% kept HB3 LYS+ 66 - HN ASP- 82 9.091% * 4.6960% (0.48 0.50 0.44) = 4.696% kept HG LEU 43 - HN ASP- 82 9.091% * 2.9000% (0.40 0.37 0.02) = 2.900% kept HG3 ARG+ 84 - HN ASP- 82 9.091% * 2.5326% (0.19 0.67 0.02) = 2.533% kept HB ILE 100 - HN ASP- 82 9.091% * 2.1129% (0.44 0.25 0.02) = 2.113% kept HB ILE 68 - HN ASP- 82 9.091% * 0.1574% (0.40 0.02 0.02) = 0.157% HB3 MET 97 - HN ASP- 82 9.091% * 0.1306% (0.33 0.02 0.02) = 0.131% Peak 908 (8.24, 7.53, 115.71 ppm): 10 chemical-shift based assignments, quality = 0.873, support = 3.29, residual support = 9.66: * T HN LYS+ 81 - HN ASP- 82 10.000% * 67.7761% (0.96 10.00 4.29 13.94) = 67.776% kept T HN THR 106 - HN ASP- 82 10.000% * 31.0940% (0.71 10.00 1.24 0.68) = 31.094% kept HN GLN 16 - HN ASP- 82 10.000% * 0.4181% (0.33 1.00 0.35 0.02) = 0.418% HN GLU- 12 - HN ASP- 82 10.000% * 0.2608% (0.98 1.00 0.08 0.02) = 0.261% HN VAL 94 - HN ASP- 82 10.000% * 0.2361% (0.27 1.00 0.25 0.02) = 0.236% HN LEU 67 - HN ASP- 82 10.000% * 0.0678% (0.96 1.00 0.02 0.02) = 0.068% HN GLY 58 - HN ASP- 82 10.000% * 0.0638% (0.90 1.00 0.02 0.27) = 0.064% HN SER 49 - HN ASP- 82 10.000% * 0.0554% (0.78 1.00 0.02 0.02) = 0.055% HN VAL 105 - HN ASP- 82 10.000% * 0.0172% (0.24 1.00 0.02 0.02) = 0.017% HN ALA 11 - HN ASP- 82 10.000% * 0.0107% (0.15 1.00 0.02 0.02) = 0.011% Peak 909 (9.03, 7.53, 115.71 ppm): 2 chemical-shift based assignments, quality = 0.972, support = 1.49, residual support = 5.61: * T HN THR 79 - HN ASP- 82 50.000% * 97.9186% (0.97 10.00 1.52 5.72) = 97.919% kept HN GLY 30 - HN ASP- 82 50.000% * 2.0814% (0.98 1.00 0.32 0.02) = 2.081% kept Peak 910 (7.69, 7.53, 115.71 ppm): 2 chemical-shift based assignments, quality = 0.367, support = 4.18, residual support = 18.4: * T HN TYR 83 - HN ASP- 82 50.000% * 98.7271% (0.37 10.00 4.23 18.62) = 98.727% kept HN VAL 13 - HN ASP- 82 50.000% * 1.2729% (0.27 1.00 0.35 0.02) = 1.273% 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): 11 chemical-shift based assignments, quality = 0.676, support = 2.12, residual support = 12.4: * O HA ILE 29 - HN GLY 30 9.091% * 98.9498% (0.68 10.0 2.14 12.52) = 98.950% kept HA THR 106 - HN GLY 30 9.091% * 0.4858% (0.89 1.0 0.08 0.02) = 0.486% HA ASP- 36 - HN GLY 30 9.091% * 0.1441% (1.00 1.0 0.02 0.02) = 0.144% HA LEU 90 - HN GLY 30 9.091% * 0.0874% (0.60 1.0 0.02 0.02) = 0.087% HA ALA 93 - HN GLY 30 9.091% * 0.0701% (0.48 1.0 0.02 0.02) = 0.070% HA VAL 94 - HN GLY 30 9.091% * 0.0491% (0.34 1.0 0.02 0.02) = 0.049% HA SER 85 - HN GLY 30 9.091% * 0.0445% (0.31 1.0 0.02 0.02) = 0.044% HD3 PRO 59 - HN GLY 30 9.091% * 0.0445% (0.31 1.0 0.02 0.02) = 0.044% HA PRO 52 - HN GLY 30 9.091% * 0.0445% (0.31 1.0 0.02 0.02) = 0.044% HA ARG+ 84 - HN GLY 30 9.091% * 0.0445% (0.31 1.0 0.02 0.02) = 0.044% HA VAL 65 - HN GLY 30 9.091% * 0.0359% (0.25 1.0 0.02 0.02) = 0.036% Peak 915 (3.47, 9.03, 115.09 ppm): 6 chemical-shift based assignments, quality = 0.496, support = 2.85, residual support = 11.8: * O HA1 GLY 30 - HN GLY 30 16.667% * 62.6023% (0.25 10.0 2.80 9.92) = 62.602% kept HD3 PRO 31 - HN GLY 30 16.667% * 36.1426% (0.94 1.0 3.04 15.37) = 36.143% kept HA VAL 80 - HN GLY 30 16.667% * 0.7863% (0.68 1.0 0.09 0.02) = 0.786% HA1 GLY 71 - HN GLY 30 16.667% * 0.2505% (0.99 1.0 0.02 0.02) = 0.251% HA VAL 40 - HN GLY 30 16.667% * 0.1624% (0.64 1.0 0.02 0.02) = 0.162% HA VAL 62 - HN GLY 30 16.667% * 0.0559% (0.22 1.0 0.02 0.02) = 0.056% Peak 916 (0.94, 9.03, 115.09 ppm): 10 chemical-shift based assignments, quality = 0.881, support = 2.88, residual support = 9.49: * QG2 ILE 29 - HN GLY 30 10.000% * 75.8150% (0.94 3.63 12.52) = 75.815% kept QD1 LEU 17 - HN GLY 30 10.000% * 13.7055% (0.83 0.74 0.02) = 13.706% kept QG2 VAL 105 - HN GLY 30 10.000% * 4.2020% (0.80 0.24 0.02) = 4.202% kept HG12 ILE 68 - HN GLY 30 10.000% * 3.7370% (0.52 0.32 0.02) = 3.737% kept QG2 VAL 80 - HN GLY 30 10.000% * 0.6864% (0.34 0.09 0.02) = 0.686% QG2 VAL 62 - HN GLY 30 10.000% * 0.4404% (0.99 0.02 0.02) = 0.440% QG2 VAL 73 - HN GLY 30 10.000% * 0.4259% (0.96 0.02 0.02) = 0.426% QG1 VAL 105 - HN GLY 30 10.000% * 0.3828% (0.86 0.02 0.02) = 0.383% HB2 ARG+ 84 - HN GLY 30 10.000% * 0.3373% (0.76 0.02 0.02) = 0.337% QG2 VAL 99 - HN GLY 30 10.000% * 0.2677% (0.60 0.02 0.02) = 0.268% Peak 917 (4.71, 9.03, 115.09 ppm): 6 chemical-shift based assignments, quality = 0.933, support = 2.52, residual support = 9.48: * O HA2 GLY 30 - HN GLY 30 16.667% * 95.5227% (0.94 10.0 2.62 9.92) = 95.523% kept HA THR 61 - HN GLY 30 16.667% * 2.3008% (0.99 1.0 0.46 0.02) = 2.301% kept HA LYS+ 20 - HN GLY 30 16.667% * 1.5610% (0.68 1.0 0.45 0.26) = 1.561% kept HA THR 39 - HN GLY 30 16.667% * 0.4355% (0.98 1.0 0.09 0.02) = 0.436% HA VAL 99 - HN GLY 30 16.667% * 0.0955% (0.94 1.0 0.02 0.02) = 0.096% HA GLN 16 - HN GLY 30 16.667% * 0.0843% (0.83 1.0 0.02 0.02) = 0.084% Peak 919 (8.81, 9.03, 115.09 ppm): 5 chemical-shift based assignments, quality = 0.646, support = 1.1, residual support = 5.27: HN LYS+ 32 - HN GLY 30 20.000% * 72.9231% (0.72 1.30 7.04) = 72.923% kept HN SER 69 - HN GLY 30 20.000% * 19.7005% (0.34 0.75 0.68) = 19.700% kept HN ASN 57 - HN GLY 30 20.000% * 6.3220% (0.83 0.10 0.02) = 6.322% kept HN LYS+ 60 - HN GLY 30 20.000% * 0.7497% (0.48 0.02 0.02) = 0.750% HN THR 95 - HN GLY 30 20.000% * 0.3048% (0.20 0.02 0.02) = 0.305% Peak 921 (4.06, 8.23, 114.86 ppm): 4 chemical-shift based assignments, quality = 0.817, support = 3.91, residual support = 14.7: * O HB2 SER 49 - HN SER 49 25.000% * 69.3878% (0.99 10.0 3.99 14.71) = 69.388% kept O HB3 SER 49 - HN SER 49 25.000% * 30.5078% (0.43 10.0 3.75 14.71) = 30.508% kept HB THR 38 - HN SER 49 25.000% * 0.0676% (0.96 1.0 0.02 0.02) = 0.068% HB3 SER 85 - HN SER 49 25.000% * 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): 3 chemical-shift based assignments, quality = 0.428, support = 5.11, residual support = 27.8: * HB ILE 48 - HN SER 49 33.333% * 88.5016% (0.45 5.65 31.38) = 88.502% kept HB3 LEU 23 - HN SER 49 33.333% * 10.8375% (0.31 1.01 0.02) = 10.837% kept HB2 GLN 16 - HN SER 49 33.333% * 0.6609% (0.94 0.02 0.02) = 0.661% Peak 924 (4.22, 8.23, 114.86 ppm): 10 chemical-shift based assignments, quality = 0.654, support = 3.33, residual support = 14.7: * O HA SER 49 - HN SER 49 10.000% * 55.6044% (0.72 10.0 3.01 14.71) = 55.604% kept O HB3 SER 49 - HN SER 49 10.000% * 44.0385% (0.57 10.0 3.75 14.71) = 44.039% kept HA GLU- 12 - HN SER 49 10.000% * 0.0764% (0.99 1.0 0.02 0.02) = 0.076% HA GLU- 18 - HN SER 49 10.000% * 0.0585% (0.76 1.0 0.02 0.02) = 0.059% HA ASP- 82 - HN SER 49 10.000% * 0.0526% (0.68 1.0 0.02 0.02) = 0.053% HA ALA 42 - HN SER 49 10.000% * 0.0495% (0.64 1.0 0.02 0.02) = 0.050% HA LYS+ 108 - HN SER 49 10.000% * 0.0343% (0.45 1.0 0.02 0.02) = 0.034% HA GLU- 10 - HN SER 49 10.000% * 0.0343% (0.45 1.0 0.02 0.02) = 0.034% HA GLU- 54 - HN SER 49 10.000% * 0.0343% (0.45 1.0 0.02 0.02) = 0.034% HA PRO 59 - HN SER 49 10.000% * 0.0170% (0.22 1.0 0.02 0.02) = 0.017% Peak 925 (0.71, 8.23, 114.86 ppm): 11 chemical-shift based assignments, quality = 0.856, support = 4.39, residual support = 22.8: * QG2 ILE 48 - HN SER 49 9.091% * 71.0078% (0.87 5.93 31.38) = 71.008% kept HG LEU 74 - HN SER 49 9.091% * 8.4986% (0.86 0.72 1.07) = 8.499% kept QG2 ILE 101 - HN SER 49 9.091% * 8.2774% (0.93 0.64 3.93) = 8.277% kept QG2 THR 96 - HN SER 49 9.091% * 8.1292% (0.94 0.63 0.54) = 8.129% kept QD1 ILE 68 - HN SER 49 9.091% * 2.7600% (0.41 0.49 2.61) = 2.760% kept QG1 VAL 40 - HN SER 49 9.091% * 0.9704% (0.45 0.16 0.02) = 0.970% QD1 ILE 19 - HN SER 49 9.091% * 0.0935% (0.34 0.02 0.02) = 0.093% QG2 VAL 94 - HN SER 49 9.091% * 0.0762% (0.28 0.02 0.02) = 0.076% QG2 ILE 68 - HN SER 49 9.091% * 0.0762% (0.28 0.02 2.61) = 0.076% HG12 ILE 19 - HN SER 49 9.091% * 0.0683% (0.25 0.02 0.02) = 0.068% HG3 LYS+ 66 - HN SER 49 9.091% * 0.0423% (0.15 0.02 0.64) = 0.042% Peak 926 (7.29, 8.23, 114.86 ppm): 4 chemical-shift based assignments, quality = 0.879, support = 4.54, residual support = 26.8: * HN ILE 48 - HN SER 49 25.000% * 85.4750% (0.99 5.08 31.38) = 85.475% kept HN VAL 47 - HN SER 49 25.000% * 7.5795% (0.25 1.79 0.12) = 7.579% kept HN ARG+ 84 - HN SER 49 25.000% * 4.5027% (0.28 0.95 0.02) = 4.503% kept QD PHE 34 - HN SER 49 25.000% * 2.4428% (0.20 0.73 0.02) = 2.443% kept Peak 927 (3.96, 8.23, 114.86 ppm): 2 chemical-shift based assignments, quality = 0.413, support = 0.93, residual support = 0.945: HA LEU 74 - HN SER 49 50.000% * 80.4701% (0.45 1.06 1.07) = 80.470% kept HA1 GLY 92 - HN SER 49 50.000% * 19.5299% (0.28 0.41 0.42) = 19.530% kept Reference assignment not found: HA ILE 48 - HN SER 49 Peak 928 (0.37, 8.23, 114.86 ppm): 2 chemical-shift based assignments, quality = 0.154, support = 5.4, residual support = 31.4: HG12 ILE 48 - HN SER 49 50.000% * 55.0923% (0.15 5.89 31.38) = 55.092% kept QD1 ILE 48 - HN SER 49 50.000% * 44.9077% (0.15 4.80 31.38) = 44.908% kept Reference assignment not found: HG13 ILE 48 - HN SER 49 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): 3 chemical-shift based assignments, quality = 0.997, support = 2.5, residual support = 2.42: * O HB3 SER 41 - HN SER 41 33.333% * 99.8675% (1.00 10.0 2.51 2.42) = 99.867% kept HD3 PRO 86 - HN SER 41 33.333% * 0.0800% (0.80 1.0 0.02 0.02) = 0.080% HA2 GLY 92 - HN SER 41 33.333% * 0.0525% (0.53 1.0 0.02 0.02) = 0.053% 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 Reference assignment not found: HA VAL 40 - HN SER 41 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 932 (7.72, 8.16, 114.88 ppm): 2 chemical-shift based assignments, quality = 0.895, support = 2.69, residual support = 9.99: * T HN ALA 42 - HN SER 41 50.000% * 99.9279% (0.90 10.00 2.69 9.99) = 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 = 3.45, residual support = 16.2: * T HN VAL 40 - HN SER 41 100.000% *100.0000% (0.76 10.00 3.45 16.16) = 100.000% kept Peak 934 (4.23, 8.16, 114.88 ppm): 15 chemical-shift based assignments, quality = 0.897, support = 1.57, residual support = 5.64: * HA ALA 42 - HN SER 41 6.667% * 56.3997% (1.00 2.28 9.99) = 56.400% kept HA GLU- 18 - HN SER 41 6.667% * 20.0786% (0.99 0.82 0.02) = 20.079% kept HA ASN 76 - HN SER 41 6.667% * 9.0638% (0.37 0.98 0.02) = 9.064% kept HA GLU- 10 - HN SER 41 6.667% * 7.5589% (0.92 0.33 0.02) = 7.559% kept HA SER 49 - HN SER 41 6.667% * 1.8603% (1.00 0.08 0.02) = 1.860% kept HB3 SER 49 - HN SER 41 6.667% * 1.8059% (0.46 0.16 0.02) = 1.806% kept HA ALA 11 - HN SER 41 6.667% * 1.1609% (0.45 0.10 0.02) = 1.161% kept HA LYS+ 108 - HN SER 41 6.667% * 0.4567% (0.92 0.02 0.02) = 0.457% HA GLU- 54 - HN SER 41 6.667% * 0.4567% (0.92 0.02 0.02) = 0.457% HA PRO 59 - HN SER 41 6.667% * 0.3398% (0.69 0.02 0.02) = 0.340% HA GLU- 12 - HN SER 41 6.667% * 0.3201% (0.65 0.02 0.02) = 0.320% HA GLU- 107 - HN SER 41 6.667% * 0.1688% (0.34 0.02 0.02) = 0.169% HA GLU- 56 - HN SER 41 6.667% * 0.1527% (0.31 0.02 0.02) = 0.153% HA ASP- 82 - HN SER 41 6.667% * 0.1101% (0.22 0.02 0.02) = 0.110% HA GLU- 75 - HN SER 41 6.667% * 0.0670% (0.14 0.02 0.02) = 0.067% Peak 935 (2.48, 8.16, 114.88 ppm): 6 chemical-shift based assignments, quality = 0.837, support = 2.45, residual support = 13.0: * HB VAL 40 - HN SER 41 16.667% * 80.6685% (0.90 2.95 16.16) = 80.669% kept HG3 GLU- 45 - HN SER 41 16.667% * 7.6504% (0.45 0.56 0.02) = 7.650% kept HA1 GLY 58 - HN SER 41 16.667% * 7.3102% (0.87 0.27 0.02) = 7.310% kept HB3 PRO 35 - HN SER 41 16.667% * 3.7877% (0.44 0.28 0.02) = 3.788% kept HG3 PRO 35 - HN SER 41 16.667% * 0.4890% (0.80 0.02 0.02) = 0.489% HB3 PRO 59 - HN SER 41 16.667% * 0.0942% (0.15 0.02 0.02) = 0.094% Peak 936 (0.74, 8.16, 114.88 ppm): 7 chemical-shift based assignments, quality = 0.838, support = 3.15, residual support = 14.1: QG1 VAL 40 - HN SER 41 14.286% * 87.5315% (0.90 3.55 16.16) = 87.532% kept QG2 ILE 48 - HN SER 41 14.286% * 5.6157% (0.59 0.34 0.02) = 5.616% kept QG2 ILE 101 - HN SER 41 14.286% * 5.3690% (0.39 0.50 0.02) = 5.369% kept HG3 LYS+ 66 - HN SER 41 14.286% * 0.5389% (0.98 0.02 0.02) = 0.539% QD1 ILE 68 - HN SER 41 14.286% * 0.5075% (0.92 0.02 0.02) = 0.508% HG LEU 74 - HN SER 41 14.286% * 0.2676% (0.49 0.02 0.02) = 0.268% HG3 LYS+ 44 - HN SER 41 14.286% * 0.1697% (0.31 0.02 0.02) = 0.170% Reference assignment not found: QG2 VAL 40 - HN SER 41 Peak 937 (1.37, 8.16, 114.88 ppm): 8 chemical-shift based assignments, quality = 0.764, support = 1.34, residual support = 1.49: * QG2 THR 39 - HN SER 41 12.500% * 56.9139% (0.65 2.12 2.60) = 56.914% kept HB3 LEU 17 - HN SER 41 12.500% * 15.7494% (0.94 0.40 0.02) = 15.749% kept HB3 LYS+ 20 - HN SER 41 12.500% * 15.5317% (1.00 0.37 0.02) = 15.532% kept HG3 ARG+ 22 - HN SER 41 12.500% * 5.6839% (0.87 0.16 0.02) = 5.684% kept QB ALA 11 - HN SER 41 12.500% * 4.3354% (1.00 0.10 0.02) = 4.335% kept HG3 LYS+ 81 - HN SER 41 12.500% * 0.7201% (0.87 0.02 0.02) = 0.720% HG2 LYS+ 78 - HN SER 41 12.500% * 0.6934% (0.83 0.02 0.02) = 0.693% HG13 ILE 68 - HN SER 41 12.500% * 0.3722% (0.45 0.02 0.02) = 0.372% 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): 11 chemical-shift based assignments, quality = 0.452, support = 2.52, residual support = 14.8: * O HA ASN 57 - HN ASN 57 9.091% * 94.3133% (0.44 10.0 2.66 15.73) = 94.313% kept HA LYS+ 60 - HN ASN 57 9.091% * 2.4611% (0.95 1.0 0.24 0.02) = 2.461% kept HB THR 61 - HN ASN 57 9.091% * 1.9489% (0.75 1.0 0.24 0.02) = 1.949% kept HA SER 27 - HN ASN 57 9.091% * 0.2104% (0.98 1.0 0.02 0.02) = 0.210% HA ALA 37 - HN ASN 57 9.091% * 0.2099% (0.98 1.0 0.02 0.02) = 0.210% HA TRP 51 - HN ASN 57 9.091% * 0.1990% (0.93 1.0 0.02 0.02) = 0.199% HA ALA 91 - HN ASN 57 9.091% * 0.1942% (0.90 1.0 0.02 0.02) = 0.194% HA SER 88 - HN ASN 57 9.091% * 0.1757% (0.82 1.0 0.02 0.02) = 0.176% HA2 GLY 26 - HN ASN 57 9.091% * 0.1361% (0.63 1.0 0.02 0.02) = 0.136% HA THR 95 - HN ASN 57 9.091% * 0.0865% (0.40 1.0 0.02 0.02) = 0.086% HA PRO 104 - HN ASN 57 9.091% * 0.0649% (0.30 1.0 0.02 0.02) = 0.065% Peak 941 (2.11, 8.82, 115.02 ppm): 11 chemical-shift based assignments, quality = 0.757, support = 0.975, residual support = 2.41: HB3 GLU- 75 - HN ASN 57 9.091% * 54.7644% (0.95 1.12 0.60) = 54.764% kept HA1 GLY 58 - HN ASN 57 9.091% * 18.7667% (0.22 1.70 11.08) = 18.767% kept HB VAL 87 - HN ASN 57 9.091% * 11.5796% (0.96 0.23 0.02) = 11.580% kept HG3 GLU- 64 - HN ASN 57 9.091% * 5.8789% (0.86 0.13 0.02) = 5.879% kept HG2 GLU- 64 - HN ASN 57 9.091% * 2.8949% (0.49 0.12 0.02) = 2.895% kept HB3 PRO 35 - HN ASN 57 9.091% * 2.7579% (0.35 0.15 0.02) = 2.758% kept HB3 LEU 43 - HN ASN 57 9.091% * 1.0126% (0.99 0.02 0.02) = 1.013% kept HB VAL 105 - HN ASN 57 9.091% * 0.7808% (0.76 0.02 0.02) = 0.781% HB VAL 65 - HN ASN 57 9.091% * 0.7018% (0.68 0.02 0.02) = 0.702% HG2 GLU- 45 - HN ASN 57 9.091% * 0.5784% (0.56 0.02 0.02) = 0.578% HB2 ASP- 28 - HN ASN 57 9.091% * 0.2841% (0.28 0.02 0.02) = 0.284% Reference assignment not found: HG3 GLU- 56 - HN ASN 57 Peak 942 (2.88, 8.82, 115.02 ppm): 3 chemical-shift based assignments, quality = 0.375, support = 2.65, residual support = 14.9: O HB3 ASN 57 - HN ASN 57 33.333% * 83.3750% (0.31 10.0 2.84 15.73) = 83.375% kept * HA1 GLY 58 - HN ASN 57 33.333% * 16.5577% (0.72 1.0 1.70 11.08) = 16.558% kept HE3 LYS+ 81 - HN ASN 57 33.333% * 0.0674% (0.25 1.0 0.02 0.02) = 0.067% Peak 943 (8.23, 8.82, 115.02 ppm): 10 chemical-shift based assignments, quality = 0.878, support = 2.52, residual support = 10.5: * T HN GLY 58 - HN ASN 57 10.000% * 95.1283% (0.89 10.00 2.63 11.08) = 95.128% kept HN VAL 94 - HN ASN 57 10.000% * 2.3903% (0.76 1.00 0.59 0.02) = 2.390% kept HN VAL 105 - HN ASN 57 10.000% * 1.4907% (0.72 1.00 0.39 0.02) = 1.491% kept HN GLU- 45 - HN ASN 57 10.000% * 0.5576% (0.48 1.00 0.22 0.02) = 0.558% HN SER 49 - HN ASN 57 10.000% * 0.1040% (0.98 1.00 0.02 0.02) = 0.104% HN LYS+ 81 - HN ASN 57 10.000% * 0.0849% (0.80 1.00 0.02 0.02) = 0.085% HN LEU 67 - HN ASN 57 10.000% * 0.0849% (0.80 1.00 0.02 0.02) = 0.085% HN GLU- 12 - HN ASN 57 10.000% * 0.0729% (0.68 1.00 0.02 0.02) = 0.073% HN ALA 11 - HN ASN 57 10.000% * 0.0601% (0.56 1.00 0.02 0.02) = 0.060% HN THR 106 - HN ASN 57 10.000% * 0.0264% (0.25 1.00 0.02 0.02) = 0.026% Peak 945 (1.96, 8.82, 115.02 ppm): 8 chemical-shift based assignments, quality = 0.696, support = 0.573, residual support = 0.283: * HB3 LYS+ 55 - HN ASN 57 12.500% * 43.4968% (0.80 0.65 0.15) = 43.497% kept HB2 GLU- 75 - HN ASN 57 12.500% * 35.7949% (0.60 0.71 0.60) = 35.795% kept HB VAL 73 - HN ASN 57 12.500% * 12.9200% (0.64 0.24 0.02) = 12.920% kept HG3 PRO 104 - HN ASN 57 12.500% * 3.9620% (0.56 0.08 0.02) = 3.962% kept HB VAL 13 - HN ASN 57 12.500% * 1.6649% (1.00 0.02 0.02) = 1.665% kept HG3 PRO 31 - HN ASN 57 12.500% * 1.3906% (0.83 0.02 0.02) = 1.391% kept HB2 GLU- 10 - HN ASN 57 12.500% * 0.5139% (0.31 0.02 0.02) = 0.514% HB2 LYS+ 108 - HN ASN 57 12.500% * 0.2569% (0.15 0.02 0.02) = 0.257% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 946 (2.32, 8.82, 115.02 ppm): 5 chemical-shift based assignments, quality = 0.664, support = 1.14, residual support = 6.8: * HA1 GLY 58 - HN ASN 57 20.000% * 61.3349% (0.57 1.70 11.08) = 61.335% kept HB3 PRO 86 - HN ASN 57 20.000% * 17.6439% (0.94 0.29 0.02) = 17.644% kept HB3 PRO 35 - HN ASN 57 20.000% * 9.6742% (0.99 0.15 0.02) = 9.674% kept HB2 PRO 86 - HN ASN 57 20.000% * 7.3292% (0.31 0.37 0.02) = 7.329% kept HB2 TYR 83 - HN ASN 57 20.000% * 4.0178% (0.80 0.08 0.02) = 4.018% kept Peak 947 (7.29, 7.30, 114.60 ppm): 1 diagonal assignment: * HN ILE 48 - HN ILE 48 (0.96) kept Peak 948 (0.38, 7.30, 114.60 ppm): 4 chemical-shift based assignments, quality = 0.34, support = 5.32, residual support = 131.4: QD1 ILE 48 - HN ILE 48 25.000% * 50.1606% (0.34 5.35 131.63) = 50.161% kept HG12 ILE 48 - HN ILE 48 25.000% * 49.6959% (0.34 5.31 131.63) = 49.696% kept HG12 ILE 48 - HZ2 TRP 51 25.000% * 0.1218% (0.04 0.11 0.02) = 0.122% QD1 ILE 48 - HZ2 TRP 51 25.000% * 0.0217% (0.04 0.02 0.02) = 0.022% Reference assignment not found: HG13 ILE 48 - HN ILE 48 Peak 949 (1.72, 7.30, 114.60 ppm): 6 chemical-shift based assignments, quality = 0.479, support = 5.95, residual support = 127.5: * O HB ILE 48 - HN ILE 48 16.667% * 96.8674% (0.49 10.0 6.12 131.63) = 96.867% kept HB3 LEU 23 - HN ILE 48 16.667% * 2.3834% (0.34 1.0 0.70 0.02) = 2.383% kept HB ILE 48 - HZ2 TRP 51 16.667% * 0.5364% (0.06 1.0 0.96 0.02) = 0.536% HB2 GLN 16 - HN ILE 48 16.667% * 0.1837% (0.92 1.0 0.02 0.02) = 0.184% HB2 GLN 16 - HZ2 TRP 51 16.667% * 0.0213% (0.11 1.0 0.02 0.02) = 0.021% HB3 LEU 23 - HZ2 TRP 51 16.667% * 0.0079% (0.04 1.0 0.02 33.19) = 0.008% Peak 950 (1.46, 7.30, 114.60 ppm): 18 chemical-shift based assignments, quality = 0.942, support = 5.52, residual support = 126.4: HG13 ILE 48 - HN ILE 48 5.556% * 95.9920% (0.96 5.74 131.63) = 95.992% kept HG2 PRO 59 - HN ILE 48 5.556% * 1.5169% (1.00 0.09 0.02) = 1.517% kept HG13 ILE 48 - HZ2 TRP 51 5.556% * 1.2624% (0.11 0.65 0.02) = 1.262% kept HG3 LYS+ 60 - HN ILE 48 5.556% * 0.3458% (1.00 0.02 0.89) = 0.346% * HB3 LEU 67 - HN ILE 48 5.556% * 0.2517% (0.73 0.02 0.79) = 0.252% HG LEU 90 - HN ILE 48 5.556% * 0.1823% (0.53 0.02 0.02) = 0.182% HG3 LYS+ 55 - HN ILE 48 5.556% * 0.0864% (0.25 0.02 0.02) = 0.086% HB3 LYS+ 44 - HN ILE 48 5.556% * 0.0772% (0.22 0.02 0.02) = 0.077% QB ALA 70 - HN ILE 48 5.556% * 0.0686% (0.20 0.02 0.02) = 0.069% QG2 THR 38 - HN ILE 48 5.556% * 0.0535% (0.15 0.02 0.02) = 0.053% HG3 LYS+ 60 - HZ2 TRP 51 5.556% * 0.0400% (0.12 0.02 0.02) = 0.040% HG2 PRO 59 - HZ2 TRP 51 5.556% * 0.0400% (0.12 0.02 0.02) = 0.040% HB3 LEU 67 - HZ2 TRP 51 5.556% * 0.0291% (0.08 0.02 0.02) = 0.029% HG LEU 90 - HZ2 TRP 51 5.556% * 0.0211% (0.06 0.02 0.02) = 0.021% HG3 LYS+ 55 - HZ2 TRP 51 5.556% * 0.0100% (0.03 0.02 0.02) = 0.010% HB3 LYS+ 44 - HZ2 TRP 51 5.556% * 0.0089% (0.03 0.02 0.02) = 0.009% QB ALA 70 - HZ2 TRP 51 5.556% * 0.0079% (0.02 0.02 0.02) = 0.008% QG2 THR 38 - HZ2 TRP 51 5.556% * 0.0062% (0.02 0.02 0.02) = 0.006% Reference assignment eliminated. Peak 951 (8.23, 7.30, 114.60 ppm): 20 chemical-shift based assignments, quality = 0.867, support = 3.56, residual support = 20.5: * HN SER 49 - HN ILE 48 5.000% * 63.1987% (0.94 5.08 31.38) = 63.199% kept HN GLY 58 - HN ILE 48 5.000% * 13.7484% (0.83 1.25 1.49) = 13.748% kept HN LEU 67 - HN ILE 48 5.000% * 10.9290% (0.73 1.14 0.79) = 10.929% kept HN GLU- 45 - HN ILE 48 5.000% * 4.5315% (0.57 0.61 9.41) = 4.531% kept HN VAL 105 - HN ILE 48 5.000% * 3.9552% (0.80 0.38 0.02) = 3.955% kept HN LYS+ 81 - HN ILE 48 5.000% * 2.5990% (0.73 0.27 0.02) = 2.599% kept HN THR 106 - HN ILE 48 5.000% * 0.2790% (0.20 0.11 0.02) = 0.279% HN VAL 94 - HN ILE 48 5.000% * 0.2197% (0.83 0.02 0.02) = 0.220% HN ALA 11 - HN ILE 48 5.000% * 0.1702% (0.65 0.02 0.02) = 0.170% HN GLU- 12 - HN ILE 48 5.000% * 0.1596% (0.61 0.02 0.02) = 0.160% HN SER 49 - HZ2 TRP 51 5.000% * 0.0288% (0.11 0.02 0.02) = 0.029% HN GLY 58 - HZ2 TRP 51 5.000% * 0.0254% (0.10 0.02 4.39) = 0.025% HN VAL 94 - HZ2 TRP 51 5.000% * 0.0254% (0.10 0.02 0.02) = 0.025% HN VAL 105 - HZ2 TRP 51 5.000% * 0.0244% (0.09 0.02 0.02) = 0.024% HN LEU 67 - HZ2 TRP 51 5.000% * 0.0221% (0.08 0.02 0.02) = 0.022% HN LYS+ 81 - HZ2 TRP 51 5.000% * 0.0221% (0.08 0.02 0.02) = 0.022% HN ALA 11 - HZ2 TRP 51 5.000% * 0.0197% (0.07 0.02 0.02) = 0.020% HN GLU- 12 - HZ2 TRP 51 5.000% * 0.0185% (0.07 0.02 0.02) = 0.018% HN GLU- 45 - HZ2 TRP 51 5.000% * 0.0172% (0.07 0.02 0.02) = 0.017% HN THR 106 - HZ2 TRP 51 5.000% * 0.0060% (0.02 0.02 0.02) = 0.006% Peak 952 (0.71, 7.30, 114.60 ppm): 22 chemical-shift based assignments, quality = 0.817, support = 5.08, residual support = 94.9: * QG2 ILE 48 - HN ILE 48 4.545% * 72.0021% (0.83 6.76 131.63) = 72.002% kept QG2 THR 96 - HN ILE 48 4.545% * 11.0593% (0.80 1.07 1.32) = 11.059% kept HG LEU 74 - HN ILE 48 4.545% * 9.0701% (0.98 0.72 0.02) = 9.070% kept QD1 ILE 68 - HN ILE 48 4.545% * 3.0965% (0.61 0.40 0.02) = 3.097% kept QG1 VAL 40 - HN ILE 48 4.545% * 1.7276% (0.65 0.21 0.19) = 1.728% kept HG3 LYS+ 66 - HN ILE 48 4.545% * 1.3274% (0.28 0.37 0.11) = 1.327% kept QG2 ILE 101 - HN ILE 48 4.545% * 1.2700% (0.86 0.11 0.20) = 1.270% kept QG2 ILE 48 - HZ2 TRP 51 4.545% * 0.1385% (0.10 0.11 0.02) = 0.138% QD1 ILE 19 - HN ILE 48 4.545% * 0.0509% (0.20 0.02 0.02) = 0.051% QG2 VAL 94 - HN ILE 48 4.545% * 0.0397% (0.15 0.02 0.02) = 0.040% QG2 ILE 68 - HN ILE 48 4.545% * 0.0397% (0.15 0.02 0.02) = 0.040% HG12 ILE 19 - HN ILE 48 4.545% * 0.0348% (0.14 0.02 0.02) = 0.035% HG LEU 74 - HZ2 TRP 51 4.545% * 0.0292% (0.11 0.02 0.02) = 0.029% QG2 ILE 101 - HZ2 TRP 51 4.545% * 0.0256% (0.10 0.02 3.70) = 0.026% QG2 THR 96 - HZ2 TRP 51 4.545% * 0.0238% (0.09 0.02 0.02) = 0.024% QG1 VAL 40 - HZ2 TRP 51 4.545% * 0.0193% (0.07 0.02 0.51) = 0.019% QD1 ILE 68 - HZ2 TRP 51 4.545% * 0.0181% (0.07 0.02 0.02) = 0.018% HG3 LYS+ 66 - HZ2 TRP 51 4.545% * 0.0083% (0.03 0.02 0.02) = 0.008% QD1 ILE 19 - HZ2 TRP 51 4.545% * 0.0059% (0.02 0.02 0.02) = 0.006% QG2 ILE 68 - HZ2 TRP 51 4.545% * 0.0046% (0.02 0.02 0.02) = 0.005% QG2 VAL 94 - HZ2 TRP 51 4.545% * 0.0046% (0.02 0.02 0.02) = 0.005% HG12 ILE 19 - HZ2 TRP 51 4.545% * 0.0040% (0.02 0.02 0.02) = 0.004% Peak 953 (3.41, 7.30, 114.60 ppm): 4 chemical-shift based assignments, quality = 0.481, support = 6.06, residual support = 129.3: * O HA ILE 48 - HN ILE 48 25.000% * 98.1736% (0.49 10.0 6.16 131.63) = 98.174% kept HA VAL 62 - HN ILE 48 25.000% * 1.8104% (0.20 1.0 0.91 4.15) = 1.810% kept HA ILE 48 - HZ2 TRP 51 25.000% * 0.0114% (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): 26 chemical-shift based assignments, quality = 0.694, support = 2.96, residual support = 12.5: * HB VAL 47 - HN ILE 48 3.846% * 38.8718% (0.49 4.93 22.57) = 38.872% kept HG2 GLU- 45 - HN ILE 48 3.846% * 35.8852% (0.92 2.40 9.41) = 35.885% kept HB3 GLU- 75 - HN ILE 48 3.846% * 14.0257% (0.79 1.09 1.96) = 14.026% kept HB2 ASP- 28 - HN ILE 48 3.846% * 5.2374% (0.99 0.33 0.02) = 5.237% kept HA1 GLY 58 - HN ILE 48 3.846% * 1.8475% (0.24 0.47 1.49) = 1.847% kept HB3 LYS+ 78 - HN ILE 48 3.846% * 1.0364% (0.65 0.10 0.02) = 1.036% kept HB VAL 87 - HN ILE 48 3.846% * 0.8229% (0.49 0.10 0.02) = 0.823% HA1 GLY 58 - HZ2 TRP 51 3.846% * 0.5193% (0.03 1.13 4.39) = 0.519% HB VAL 47 - HZ2 TRP 51 3.846% * 0.4217% (0.06 0.46 2.08) = 0.422% HG3 GLU- 64 - HN ILE 48 3.846% * 0.3160% (0.97 0.02 3.10) = 0.316% HB VAL 105 - HN ILE 48 3.846% * 0.2474% (0.76 0.02 0.02) = 0.247% HG2 GLU- 64 - HN ILE 48 3.846% * 0.2251% (0.69 0.02 3.10) = 0.225% HB3 PRO 35 - HN ILE 48 3.846% * 0.1424% (0.44 0.02 0.11) = 0.142% HB3 LEU 43 - HN ILE 48 3.846% * 0.0900% (0.28 0.02 0.12) = 0.090% HG2 PRO 104 - HN ILE 48 3.846% * 0.0438% (0.14 0.02 0.02) = 0.044% HB2 ASP- 28 - HZ2 TRP 51 3.846% * 0.0371% (0.11 0.02 0.02) = 0.037% HG3 GLU- 64 - HZ2 TRP 51 3.846% * 0.0366% (0.11 0.02 0.02) = 0.037% HG2 GLU- 45 - HZ2 TRP 51 3.846% * 0.0346% (0.11 0.02 0.02) = 0.035% HB3 GLU- 75 - HZ2 TRP 51 3.846% * 0.0298% (0.09 0.02 0.02) = 0.030% HB VAL 105 - HZ2 TRP 51 3.846% * 0.0286% (0.09 0.02 0.02) = 0.029% HG2 GLU- 64 - HZ2 TRP 51 3.846% * 0.0260% (0.08 0.02 0.02) = 0.026% HB3 LYS+ 78 - HZ2 TRP 51 3.846% * 0.0242% (0.07 0.02 0.02) = 0.024% HB VAL 87 - HZ2 TRP 51 3.846% * 0.0182% (0.06 0.02 0.02) = 0.018% HB3 PRO 35 - HZ2 TRP 51 3.846% * 0.0165% (0.05 0.02 0.02) = 0.016% HB3 LEU 43 - HZ2 TRP 51 3.846% * 0.0104% (0.03 0.02 0.02) = 0.010% HG2 PRO 104 - HZ2 TRP 51 3.846% * 0.0051% (0.02 0.02 0.02) = 0.005% Peak 955 (3.84, 7.30, 114.60 ppm): 14 chemical-shift based assignments, quality = 0.407, support = 1.38, residual support = 3.5: HB2 SER 85 - HN ILE 48 7.143% * 34.4868% (0.53 1.28 1.50) = 34.487% kept HA GLU- 45 - HN ILE 48 7.143% * 31.3571% (0.25 2.46 9.41) = 31.357% kept HB3 SER 77 - HN ILE 48 7.143% * 13.7106% (0.49 0.55 0.02) = 13.711% kept HB3 SER 88 - HN ILE 48 7.143% * 9.4200% (0.57 0.33 0.02) = 9.420% kept HB3 SER 27 - HN ILE 48 7.143% * 8.8974% (0.28 0.63 0.27) = 8.897% kept HD3 PRO 86 - HN ILE 48 7.143% * 1.2957% (0.25 0.10 0.15) = 1.296% kept HA2 GLY 92 - HN ILE 48 7.143% * 0.4968% (0.49 0.02 0.02) = 0.497% HB3 SER 88 - HZ2 TRP 51 7.143% * 0.0669% (0.07 0.02 0.02) = 0.067% HB2 SER 85 - HZ2 TRP 51 7.143% * 0.0621% (0.06 0.02 0.02) = 0.062% HA2 GLY 92 - HZ2 TRP 51 7.143% * 0.0575% (0.06 0.02 0.02) = 0.057% HB3 SER 77 - HZ2 TRP 51 7.143% * 0.0575% (0.06 0.02 0.02) = 0.057% HB3 SER 27 - HZ2 TRP 51 7.143% * 0.0328% (0.03 0.02 0.02) = 0.033% HD3 PRO 86 - HZ2 TRP 51 7.143% * 0.0294% (0.03 0.02 0.02) = 0.029% HA GLU- 45 - HZ2 TRP 51 7.143% * 0.0294% (0.03 0.02 0.02) = 0.029% Reference assignment not found: HA ILE 48 - HN ILE 48 Peak 956 (0.87, 7.30, 114.60 ppm): 14 chemical-shift based assignments, quality = 0.238, support = 3.93, residual support = 17.3: QG1 VAL 47 - HN ILE 48 7.143% * 75.8702% (0.20 5.06 22.57) = 75.870% kept QD1 LEU 67 - HN ILE 48 7.143% * 8.2967% (0.15 0.71 0.79) = 8.297% kept QG2 ILE 100 - HN ILE 48 7.143% * 4.8881% (0.83 0.08 0.70) = 4.888% kept QG1 VAL 80 - HN ILE 48 7.143% * 3.4105% (0.57 0.08 0.02) = 3.411% kept QG2 VAL 87 - HN ILE 48 7.143% * 1.9717% (0.25 0.10 0.02) = 1.972% kept QG1 VAL 47 - HZ2 TRP 51 7.143% * 1.4474% (0.02 0.83 2.08) = 1.447% kept QG2 VAL 40 - HZ2 TRP 51 7.143% * 1.3701% (0.03 0.63 0.51) = 1.370% kept QD1 LEU 90 - HN ILE 48 7.143% * 1.2127% (0.80 0.02 0.02) = 1.213% kept QG2 ILE 100 - HZ2 TRP 51 7.143% * 0.8447% (0.10 0.12 0.02) = 0.845% QG2 VAL 40 - HN ILE 48 7.143% * 0.3776% (0.25 0.02 0.19) = 0.378% QD1 LEU 90 - HZ2 TRP 51 7.143% * 0.1403% (0.09 0.02 0.02) = 0.140% QG1 VAL 80 - HZ2 TRP 51 7.143% * 0.0992% (0.07 0.02 0.02) = 0.099% QG2 VAL 87 - HZ2 TRP 51 7.143% * 0.0437% (0.03 0.02 0.02) = 0.044% QD1 LEU 67 - HZ2 TRP 51 7.143% * 0.0270% (0.02 0.02 0.02) = 0.027% Reference assignment not found: QG2 VAL 47 - HN ILE 48 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 = 0.743, support = 1.6, residual support = 15.3: O HB3 ASN 57 - HD21 ASN 57 20.000% * 91.7845% (0.75 10.0 1.60 15.73) = 91.785% kept * HA1 GLY 58 - HD21 ASN 57 20.000% * 8.0171% (0.63 1.0 1.68 11.08) = 8.017% kept HE3 LYS+ 81 - HD21 ASN 57 20.000% * 0.1049% (0.69 1.0 0.02 0.02) = 0.105% HB2 HIS+ 98 - HD21 ASN 57 20.000% * 0.0722% (0.48 1.0 0.02 0.02) = 0.072% HE3 LYS+ 60 - HD21 ASN 57 20.000% * 0.0212% (0.14 1.0 0.02 0.02) = 0.021% Peak 961 (6.96, 7.62, 113.99 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 1.0, residual support = 15.7: * O T HD22 ASN 57 - HD21 ASN 57 100.000% *100.0000% (0.99 10.0 10.00 1.00 15.73) = 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 = 0.895, support = 1.59, residual support = 15.4: O HB3 ASN 57 - HD22 ASN 57 20.000% * 93.4637% (0.91 10.0 1.60 15.73) = 93.464% kept * HA1 GLY 58 - HD22 ASN 57 20.000% * 6.2881% (0.63 1.0 1.57 11.08) = 6.288% kept HE3 LYS+ 81 - HD22 ASN 57 20.000% * 0.1137% (0.89 1.0 0.02 0.02) = 0.114% HB2 HIS+ 98 - HD22 ASN 57 20.000% * 0.0944% (0.74 1.0 0.02 0.02) = 0.094% HE3 LYS+ 60 - HD22 ASN 57 20.000% * 0.0402% (0.31 1.0 0.02 0.02) = 0.040% Peak 965 (7.62, 6.97, 113.99 ppm): 3 chemical-shift based assignments, quality = 0.982, support = 0.985, residual support = 15.5: * O T HD21 ASN 57 - HD22 ASN 57 33.333% * 98.5438% (1.00 10.0 10.00 1.00 15.73) = 98.544% kept HD21 ASN 89 - HD22 ASN 57 33.333% * 0.7485% (0.49 1.0 1.00 0.31 0.02) = 0.748% HN ASP- 25 - HD22 ASN 57 33.333% * 0.7078% (0.73 1.0 1.00 0.20 0.02) = 0.708% 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 = 0.974, support = 2.08, residual support = 8.55: * HA ASN 15 - HD21 ASN 15 50.000% * 99.7337% (0.98 2.09 8.58) = 99.734% kept HA LEU 23 - HD21 ASN 15 50.000% * 0.2663% (0.27 0.02 0.02) = 0.266% Peak 978 (6.89, 7.59, 112.73 ppm): 2 chemical-shift based assignments, quality = 0.943, support = 0.984, residual support = 8.41: * O HD22 ASN 15 - HD21 ASN 15 50.000% * 98.0157% (0.94 10.0 1.00 8.58) = 98.016% kept QD PHE 21 - HD21 ASN 15 50.000% * 1.9843% (0.88 1.0 0.22 0.02) = 1.984% kept Peak 979 (2.75, 7.59, 112.73 ppm): 3 chemical-shift based assignments, quality = 0.902, support = 0.944, residual support = 2.22: HA1 GLY 58 - HD21 ASN 15 33.333% * 89.2040% (0.92 1.05 2.48) = 89.204% kept HE3 LYS+ 20 - HD21 ASN 15 33.333% * 7.9825% (0.94 0.09 0.17) = 7.982% kept HB3 PHE 21 - HD21 ASN 15 33.333% * 2.8135% (0.33 0.09 0.02) = 2.813% 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): 4 chemical-shift based assignments, quality = 0.876, support = 0.996, residual support = 8.54: * O T HD21 ASN 15 - HD22 ASN 15 25.000% * 99.5988% (0.88 10.0 10.00 1.00 8.58) = 99.599% kept HN ASP- 25 - HD22 ASN 15 25.000% * 0.2543% (0.28 1.0 1.00 0.16 0.02) = 0.254% HN LYS+ 78 - HD22 ASN 15 25.000% * 0.1014% (0.90 1.0 1.00 0.02 0.02) = 0.101% HN VAL 65 - HD22 ASN 15 25.000% * 0.0456% (0.40 1.0 1.00 0.02 0.02) = 0.046% Peak 982 (2.79, 6.89, 112.68 ppm): 4 chemical-shift based assignments, quality = 0.689, support = 0.882, residual support = 2.33: HA1 GLY 58 - HD22 ASN 15 25.000% * 66.9960% (0.79 1.05 2.48) = 66.996% kept HA2 GLY 58 - HD22 ASN 15 25.000% * 26.9526% (0.54 0.61 2.48) = 26.953% kept HB3 ASN 89 - HD22 ASN 15 25.000% * 5.2305% (0.22 0.29 0.10) = 5.231% kept HE3 LYS+ 32 - HD22 ASN 15 25.000% * 0.8209% (0.51 0.02 0.02) = 0.821% 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 = 2.09, residual support = 8.58: * HA ASN 15 - HD22 ASN 15 100.000% *100.0000% (0.81 2.09 8.58) = 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): 3 chemical-shift based assignments, quality = 0.869, support = 1.08, residual support = 0.264: HA1 GLY 58 - HD21 ASN 89 33.333% * 96.1652% (0.89 1.12 0.27) = 96.165% kept HE3 LYS+ 32 - HD21 ASN 89 33.333% * 3.1771% (0.31 0.11 0.02) = 3.177% kept HA2 GLY 58 - HD21 ASN 89 33.333% * 0.6577% (0.34 0.02 0.27) = 0.658% Reference assignment not found: HB3 ASN 89 - HD21 ASN 89 Peak 989 (6.87, 7.64, 112.96 ppm): 3 chemical-shift based assignments, quality = 0.639, support = 0.653, residual support = 0.429: HZ PHE 21 - HD21 ASN 89 33.333% * 96.3544% (0.65 0.68 0.43) = 96.354% kept QD PHE 21 - HD21 ASN 89 33.333% * 2.6667% (0.61 0.02 0.43) = 2.667% kept HD22 ASN 15 - HD21 ASN 89 33.333% * 0.9789% (0.22 0.02 0.10) = 0.979% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 993 (6.88, 7.57, 112.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 994 (7.57, 7.57, 112.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 995 (4.68, 7.57, 112.23 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 996 (7.59, 8.15, 110.39 ppm): 4 chemical-shift based assignments, quality = 0.95, support = 3.41, residual support = 9.44: * T HN LYS+ 78 - HN SER 77 25.000% * 98.4175% (0.96 10.00 3.46 9.60) = 98.418% kept HN ASP- 25 - HN SER 77 25.000% * 1.1333% (0.41 1.00 0.54 0.02) = 1.133% kept HN VAL 65 - HN SER 77 25.000% * 0.3472% (0.34 1.00 0.20 0.02) = 0.347% HD21 ASN 15 - HN SER 77 25.000% * 0.1020% (1.00 1.00 0.02 0.02) = 0.102% 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): 6 chemical-shift based assignments, quality = 0.925, support = 1.99, residual support = 3.33: * O HA SER 77 - HN SER 77 16.667% * 95.0532% (0.94 10.0 2.02 3.50) = 95.053% kept HB THR 79 - HN SER 77 16.667% * 4.7463% (0.64 1.0 1.46 0.02) = 4.746% kept HA LYS+ 32 - HN SER 77 16.667% * 0.0872% (0.86 1.0 0.02 0.02) = 0.087% HA ILE 100 - HN SER 77 16.667% * 0.0489% (0.48 1.0 0.02 0.02) = 0.049% HA GLN 102 - HN SER 77 16.667% * 0.0489% (0.48 1.0 0.02 0.02) = 0.049% HB THR 46 - HN SER 77 16.667% * 0.0155% (0.15 1.0 0.02 0.02) = 0.016% Peak 999 (2.83, 8.15, 110.39 ppm): 5 chemical-shift based assignments, quality = 0.773, support = 1.39, residual support = 0.684: HB3 ASN 76 - HN SER 77 20.000% * 55.5346% (0.80 1.62 0.75) = 55.535% kept HA1 GLY 58 - HN SER 77 20.000% * 40.1759% (0.81 1.16 0.61) = 40.176% kept HA2 GLY 58 - HN SER 77 20.000% * 3.7564% (0.15 0.57 0.61) = 3.756% kept HB3 ASN 89 - HN SER 77 20.000% * 0.3834% (0.45 0.02 0.02) = 0.383% HE3 LYS+ 32 - HN SER 77 20.000% * 0.1498% (0.17 0.02 0.02) = 0.150% Peak 1000 (3.86, 8.15, 110.39 ppm): 7 chemical-shift based assignments, quality = 0.987, support = 1.59, residual support = 3.48: * O HB3 SER 77 - HN SER 77 14.286% * 99.3996% (0.99 10.0 1.60 3.50) = 99.400% kept HB2 SER 85 - HN SER 77 14.286% * 0.1235% (0.99 1.0 0.02 0.02) = 0.124% HB3 SER 88 - HN SER 77 14.286% * 0.1221% (0.98 1.0 0.02 0.02) = 0.122% HB3 SER 27 - HN SER 77 14.286% * 0.1179% (0.94 1.0 0.02 0.02) = 0.118% HA GLU- 45 - HN SER 77 14.286% * 0.1150% (0.92 1.0 0.02 0.02) = 0.115% HD3 PRO 35 - HN SER 77 14.286% * 0.0706% (0.56 1.0 0.02 0.02) = 0.071% HD2 PRO 86 - HN SER 77 14.286% * 0.0512% (0.41 1.0 0.02 0.02) = 0.051% Peak 1001 (4.10, 8.15, 110.39 ppm): 5 chemical-shift based assignments, quality = 0.888, support = 0.384, residual support = 0.322: HA THR 24 - HN SER 77 20.000% * 48.8268% (0.96 0.49 0.25) = 48.827% kept HB3 SER 49 - HN SER 77 20.000% * 28.4968% (0.74 0.37 0.68) = 28.497% kept HA LYS+ 63 - HN SER 77 20.000% * 19.5145% (0.94 0.20 0.02) = 19.515% kept HA ALA 70 - HN SER 77 20.000% * 1.9081% (0.92 0.02 0.02) = 1.908% kept HA THR 46 - HN SER 77 20.000% * 1.2537% (0.60 0.02 0.02) = 1.254% kept Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 1002 (2.38, 8.15, 110.39 ppm): 6 chemical-shift based assignments, quality = 0.869, support = 2.11, residual support = 6.94: * HB2 LYS+ 78 - HN SER 77 16.667% * 70.8829% (0.94 2.59 9.60) = 70.883% kept HA1 GLY 58 - HN SER 77 16.667% * 23.0998% (0.69 1.16 0.61) = 23.100% kept HB3 GLU- 50 - HN SER 77 16.667% * 2.5938% (0.98 0.09 0.02) = 2.594% kept HB3 ASP- 28 - HN SER 77 16.667% * 1.7351% (0.76 0.08 0.02) = 1.735% kept HG3 GLU- 50 - HN SER 77 16.667% * 1.1864% (0.45 0.09 0.02) = 1.186% kept HB3 PRO 35 - HN SER 77 16.667% * 0.5020% (0.86 0.02 0.02) = 0.502% Peak 1003 (2.17, 8.15, 110.39 ppm): 13 chemical-shift based assignments, quality = 0.589, support = 1.47, residual support = 4.6: * HB3 LYS+ 78 - HN SER 77 7.692% * 47.0553% (0.48 2.49 9.60) = 47.055% kept HG3 GLU- 64 - HN SER 77 7.692% * 16.5179% (0.96 0.44 0.02) = 16.518% kept HG2 GLU- 64 - HN SER 77 7.692% * 16.1266% (0.93 0.44 0.02) = 16.127% kept HA1 GLY 58 - HN SER 77 7.692% * 13.1089% (0.29 1.16 0.61) = 13.109% kept HB3 GLU- 75 - HN SER 77 7.692% * 2.9275% (0.46 0.16 0.02) = 2.928% kept HG2 PRO 104 - HN SER 77 7.692% * 0.7710% (0.99 0.02 0.02) = 0.771% HG2 GLN 102 - HN SER 77 7.692% * 0.6228% (0.80 0.02 0.02) = 0.623% HB2 ASP- 82 - HN SER 77 7.692% * 0.5944% (0.76 0.02 0.02) = 0.594% HB VAL 47 - HN SER 77 7.692% * 0.5032% (0.64 0.02 0.02) = 0.503% HG2 GLN 16 - HN SER 77 7.692% * 0.4718% (0.60 0.02 0.02) = 0.472% HB3 PRO 35 - HN SER 77 7.692% * 0.4508% (0.58 0.02 0.02) = 0.451% HB3 PRO 104 - HN SER 77 7.692% * 0.4404% (0.56 0.02 0.02) = 0.440% HB VAL 99 - HN SER 77 7.692% * 0.4092% (0.52 0.02 0.02) = 0.409% Peak 1004 (6.64, 7.37, 110.39 ppm): 1 chemical-shift based assignment, quality = 0.434, support = 1.73, residual support = 28.8: * O T HE21 GLN 102 - HE22 GLN 102 100.000% *100.0000% (0.43 10.0 10.00 1.73 28.85) = 100.000% kept Peak 1005 (2.23, 7.37, 110.14 ppm): 16 chemical-shift based assignments, quality = 0.739, support = 1.69, residual support = 25.7: O HG3 GLN 102 - HE22 GLN 102 6.250% * 88.8103% (0.76 10.0 1.80 28.85) = 88.810% kept HG2 GLU- 64 - HE22 GLN 102 6.250% * 5.8569% (0.77 1.0 1.17 0.42) = 5.857% kept HG3 GLU- 64 - HE22 GLN 102 6.250% * 1.9402% (0.45 1.0 0.67 0.42) = 1.940% kept HG3 GLU- 18 - HE22 GLN 102 6.250% * 1.4760% (0.64 1.0 0.35 1.09) = 1.476% kept HB3 ASN 15 - HE22 GLN 102 6.250% * 0.6633% (0.80 1.0 0.13 0.02) = 0.663% HG3 GLN 16 - HE22 GLN 102 6.250% * 0.4042% (0.15 1.0 0.41 0.17) = 0.404% HG3 GLU- 56 - HE22 GLN 102 6.250% * 0.1243% (0.96 1.0 0.02 0.02) = 0.124% HG3 GLU- 10 - HE22 GLN 102 6.250% * 0.1189% (0.92 1.0 0.02 0.02) = 0.119% HG2 GLU- 56 - HE22 GLN 102 6.250% * 0.1156% (0.89 1.0 0.02 0.02) = 0.116% HB3 PRO 52 - HE22 GLN 102 6.250% * 0.1156% (0.89 1.0 0.02 0.02) = 0.116% HB3 PRO 35 - HE22 GLN 102 6.250% * 0.1118% (0.86 1.0 0.02 0.02) = 0.112% HB2 GLU- 50 - HE22 GLN 102 6.250% * 0.0729% (0.56 1.0 0.02 0.02) = 0.073% HG3 MET 97 - HE22 GLN 102 6.250% * 0.0578% (0.45 1.0 0.02 0.02) = 0.058% HA1 GLY 58 - HE22 GLN 102 6.250% * 0.0524% (0.40 1.0 0.02 0.02) = 0.052% HG3 GLU- 107 - HE22 GLN 102 6.250% * 0.0439% (0.34 1.0 0.02 0.02) = 0.044% HG3 GLU- 54 - HE22 GLN 102 6.250% * 0.0358% (0.28 1.0 0.02 0.02) = 0.036% Reference assignment not found: HG3 GLU- 75 - HE22 GLN 102 Peak 1006 (2.08, 7.37, 110.14 ppm): 9 chemical-shift based assignments, quality = 0.691, support = 2.08, residual support = 14.2: HB ILE 101 - HE22 GLN 102 11.111% * 50.9527% (0.68 3.31 27.51) = 50.953% kept * HB3 GLU- 75 - HE22 GLN 102 11.111% * 19.7772% (0.98 0.90 0.66) = 19.777% kept HG3 GLU- 64 - HE22 GLN 102 11.111% * 9.5154% (0.63 0.67 0.42) = 9.515% kept HB VAL 62 - HE22 GLN 102 11.111% * 9.3259% (0.56 0.73 0.28) = 9.326% kept HG2 GLU- 64 - HE22 GLN 102 11.111% * 6.9874% (0.26 1.17 0.42) = 6.987% kept HB VAL 65 - HE22 GLN 102 11.111% * 3.1451% (0.60 0.23 0.02) = 3.145% kept HB3 PRO 35 - HE22 GLN 102 11.111% * 0.1146% (0.25 0.02 0.02) = 0.115% HB3 LEU 43 - HE22 GLN 102 11.111% * 0.0998% (0.22 0.02 0.02) = 0.100% HA1 GLY 58 - HE22 GLN 102 11.111% * 0.0820% (0.18 0.02 0.02) = 0.082% Peak 1007 (7.36, 7.37, 110.39 ppm): 1 diagonal assignment: * HE22 GLN 102 - HE22 GLN 102 (0.45) kept Peak 1008 (1.71, 7.37, 110.14 ppm): 3 chemical-shift based assignments, quality = 0.43, support = 0.145, residual support = 0.141: HB ILE 48 - HE22 GLN 102 33.333% * 64.5801% (0.20 0.21 0.14) = 64.580% kept HB2 GLN 16 - HE22 GLN 102 33.333% * 30.0508% (0.98 0.02 0.17) = 30.051% kept HG13 ILE 19 - HE22 GLN 102 33.333% * 5.3691% (0.17 0.02 0.02) = 5.369% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1009 (8.32, 8.32, 110.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1010 (4.25, 8.32, 110.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1011 (4.78, 8.32, 110.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1012 (3.89, 8.32, 110.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1013 (4.89, 8.32, 110.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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 = 0.771, support = 0.669, residual support = 0.249: HA GLU- 12 - HN GLY 92 10.000% * 33.2271% (0.99 0.73 0.17) = 33.227% kept HA ASP- 82 - HN GLY 92 10.000% * 28.2925% (0.76 0.82 0.21) = 28.293% kept HB3 SER 49 - HN GLY 92 10.000% * 19.6298% (0.59 0.73 0.42) = 19.630% kept HA SER 49 - HN GLY 92 10.000% * 11.3264% (0.64 0.39 0.42) = 11.326% kept HA GLU- 18 - HN GLY 92 10.000% * 4.6005% (0.68 0.15 0.02) = 4.601% kept HA GLU- 10 - HN GLY 92 10.000% * 1.5690% (0.37 0.09 0.02) = 1.569% kept HA ALA 42 - HN GLY 92 10.000% * 0.5141% (0.56 0.02 0.02) = 0.514% HA LYS+ 108 - HN GLY 92 10.000% * 0.3408% (0.37 0.02 0.02) = 0.341% HA GLU- 54 - HN GLY 92 10.000% * 0.3408% (0.37 0.02 0.02) = 0.341% HA PRO 59 - HN GLY 92 10.000% * 0.1590% (0.17 0.02 0.02) = 0.159% Peak 1018 (3.81, 8.47, 109.53 ppm): 3 chemical-shift based assignments, quality = 0.483, support = 2.13, residual support = 7.45: * O HA2 GLY 92 - HN GLY 92 33.333% * 99.6393% (0.48 10.0 2.14 7.48) = 99.639% kept HB3 SER 41 - HN GLY 92 33.333% * 0.2042% (0.99 1.0 0.02 0.02) = 0.204% HD3 PRO 86 - HN GLY 92 33.333% * 0.1564% (0.76 1.0 0.02 0.02) = 0.156% Peak 1019 (3.96, 8.47, 109.53 ppm): 2 chemical-shift based assignments, quality = 0.341, support = 1.63, residual support = 7.08: * O HA1 GLY 92 - HN GLY 92 50.000% * 94.4892% (0.34 10.0 1.68 7.48) = 94.489% kept HA LEU 74 - HN GLY 92 50.000% * 5.5108% (0.37 1.0 0.89 0.24) = 5.511% kept Peak 1020 (7.80, 8.47, 109.53 ppm): 5 chemical-shift based assignments, quality = 0.988, support = 2.61, residual support = 12.6: * T HN ALA 93 - HN GLY 92 20.000% * 99.5191% (0.99 10.00 2.63 12.69) = 99.519% kept HN VAL 87 - HN GLY 92 20.000% * 0.3191% (0.68 1.00 0.09 0.02) = 0.319% HN LYS+ 55 - HN GLY 92 20.000% * 0.0799% (0.80 1.00 0.02 0.02) = 0.080% HN THR 46 - HN GLY 92 20.000% * 0.0645% (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) = 0.017% Peak 1021 (1.36, 8.47, 109.53 ppm): 8 chemical-shift based assignments, quality = 0.933, support = 0.445, residual support = 0.217: HG3 ARG+ 22 - HN GLY 92 12.500% * 34.4154% (0.99 0.61 0.10) = 34.415% kept QB ALA 11 - HN GLY 92 12.500% * 24.2861% (0.86 0.50 0.02) = 24.286% kept HB3 LEU 17 - HN GLY 92 12.500% * 19.7419% (0.99 0.35 0.14) = 19.742% kept HB3 LYS+ 20 - HN GLY 92 12.500% * 13.5296% (0.89 0.27 1.10) = 13.530% kept HG3 LYS+ 81 - HN GLY 92 12.500% * 6.7144% (0.99 0.12 0.02) = 6.714% kept HG2 LYS+ 78 - HN GLY 92 12.500% * 0.6384% (0.56 0.02 0.02) = 0.638% QG2 THR 39 - HN GLY 92 12.500% * 0.4232% (0.37 0.02 0.02) = 0.423% HG13 ILE 68 - HN GLY 92 12.500% * 0.2510% (0.22 0.02 0.02) = 0.251% Reference assignment not found: QB ALA 91 - HN GLY 92 Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 1022 (8.29, 8.47, 109.53 ppm): 6 chemical-shift based assignments, quality = 0.85, support = 0.817, residual support = 0.399: * HN ALA 91 - HN GLY 92 16.667% * 63.0966% (0.92 1.04 0.58) = 63.097% kept HN ASP- 28 - HN GLY 92 16.667% * 26.2557% (0.92 0.43 0.13) = 26.256% kept HN GLN 16 - HN GLY 92 16.667% * 6.5806% (0.15 0.65 0.02) = 6.581% kept HN ASN 89 - HN GLY 92 16.667% * 3.3254% (0.56 0.09 0.02) = 3.325% kept HN VAL 99 - HN GLY 92 16.667% * 0.5393% (0.41 0.02 0.02) = 0.539% HN ASN 76 - HN GLY 92 16.667% * 0.2024% (0.15 0.02 0.02) = 0.202% Peak 1023 (4.78, 8.47, 109.53 ppm): 2 chemical-shift based assignments, quality = 0.926, support = 0.259, residual support = 0.114: HA ASN 15 - HN GLY 92 50.000% * 91.8116% (0.99 0.27 0.12) = 91.812% kept HA LEU 23 - HN GLY 92 50.000% * 8.1884% (0.25 0.10 0.02) = 8.188% kept Not enough support, support cutoff is 0.30 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 = 0.773, support = 2.61, residual support = 13.4: * O HA2 GLY 26 - HN GLY 26 16.667% * 95.5446% (0.80 10.0 2.62 13.80) = 95.545% kept HA SER 27 - HN GLY 26 16.667% * 4.2341% (0.28 1.0 2.55 6.20) = 4.234% kept HB THR 61 - HN GLY 26 16.667% * 0.0820% (0.68 1.0 0.02 0.02) = 0.082% HA TRP 51 - HN GLY 26 16.667% * 0.0535% (0.45 1.0 0.02 0.02) = 0.053% HA LYS+ 60 - HN GLY 26 16.667% * 0.0491% (0.41 1.0 0.02 0.02) = 0.049% HA ALA 37 - HN GLY 26 16.667% * 0.0368% (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 = 0.756, support = 2.49, residual support = 13.7: O HA1 GLY 26 - HN GLY 26 33.333% * 99.3590% (0.76 10.0 2.50 13.80) = 99.359% kept HA LYS+ 44 - HN GLY 26 33.333% * 0.6234% (0.89 1.0 0.11 0.02) = 0.623% HA1 GLY 30 - HN GLY 26 33.333% * 0.0176% (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 = 0.905, support = 3.71, residual support = 9.81: * T HN ASP- 25 - HN GLY 26 25.000% * 98.5693% (0.92 10.00 3.76 9.95) = 98.569% kept HD21 ASN 15 - HN GLY 26 25.000% * 0.5752% (0.64 1.00 0.17 0.02) = 0.575% T HN LYS+ 78 - HN GLY 26 25.000% * 0.5197% (0.48 10.00 0.02 0.02) = 0.520% HD21 ASN 57 - HN GLY 26 25.000% * 0.3357% (0.52 1.00 0.12 0.02) = 0.336% Peak 1031 (7.99, 8.12, 108.56 ppm): 2 chemical-shift based assignments, quality = 0.547, support = 1.77, residual support = 3.72: * HN SER 27 - HN GLY 26 50.000% * 59.3375% (0.28 2.63 6.20) = 59.337% kept HN LEU 43 - HN GLY 26 50.000% * 40.6625% (0.94 0.53 0.11) = 40.663% kept Peak 1032 (4.58, 8.12, 108.56 ppm): 4 chemical-shift based assignments, quality = 0.444, support = 2.78, residual support = 9.91: * O HA ASP- 25 - HN GLY 26 25.000% * 99.5318% (0.45 10.0 2.79 9.95) = 99.532% kept HA LYS+ 72 - HN GLY 26 25.000% * 0.2143% (0.96 1.0 0.02 0.02) = 0.214% HA LYS+ 78 - HN GLY 26 25.000% * 0.1854% (0.83 1.0 0.02 0.02) = 0.185% HA LYS+ 55 - HN GLY 26 25.000% * 0.0685% (0.31 1.0 0.02 0.02) = 0.069% Peak 1033 (1.57, 8.12, 108.56 ppm): 10 chemical-shift based assignments, quality = 0.703, support = 1.34, residual support = 0.65: QG2 THR 24 - HN GLY 26 10.000% * 38.9786% (0.56 2.20 1.47) = 38.979% kept HG12 ILE 29 - HN GLY 26 10.000% * 25.7634% (0.86 0.95 0.02) = 25.763% kept QB ALA 42 - HN GLY 26 10.000% * 23.3597% (0.86 0.86 0.30) = 23.360% kept HG13 ILE 29 - HN GLY 26 10.000% * 8.7201% (0.68 0.41 0.02) = 8.720% kept HD3 LYS+ 81 - HN GLY 26 10.000% * 0.6239% (0.99 0.02 0.02) = 0.624% HD3 LYS+ 60 - HN GLY 26 10.000% * 0.6239% (0.99 0.02 0.02) = 0.624% HG LEU 17 - HN GLY 26 10.000% * 0.6129% (0.98 0.02 0.02) = 0.613% HB ILE 19 - HN GLY 26 10.000% * 0.6035% (0.96 0.02 0.02) = 0.603% HB3 LEU 90 - HN GLY 26 10.000% * 0.5007% (0.80 0.02 0.02) = 0.501% HB3 LYS+ 32 - HN GLY 26 10.000% * 0.2133% (0.34 0.02 0.02) = 0.213% Peak 1034 (4.08, 8.12, 108.56 ppm): 6 chemical-shift based assignments, quality = 0.583, support = 1.16, residual support = 1.09: HA THR 24 - HN GLY 26 16.667% * 73.6579% (0.56 1.46 1.47) = 73.658% kept HB2 SER 49 - HN GLY 26 16.667% * 23.6848% (0.68 0.39 0.02) = 23.685% kept HB3 SER 49 - HN GLY 26 16.667% * 1.0121% (0.56 0.02 0.02) = 1.012% kept HB THR 38 - HN GLY 26 16.667% * 0.8014% (0.45 0.02 0.02) = 0.801% HA LYS+ 63 - HN GLY 26 16.667% * 0.4457% (0.25 0.02 0.02) = 0.446% HA ALA 70 - HN GLY 26 16.667% * 0.3980% (0.22 0.02 0.02) = 0.398% 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 = 0.849, support = 4.0, residual support = 13.3: * T HN LYS+ 60 - HN THR 61 33.333% * 90.4234% (0.83 10.00 4.30 14.63) = 90.423% kept HN LYS+ 32 - HN THR 61 33.333% * 7.4803% (0.98 1.00 1.41 0.55) = 7.480% kept HN ASN 57 - HN THR 61 33.333% * 2.0962% (1.00 1.00 0.39 0.02) = 2.096% kept Peak 1037 (1.84, 7.43, 108.50 ppm): 8 chemical-shift based assignments, quality = 0.8, support = 3.23, residual support = 8.67: HB3 LYS+ 60 - HN THR 61 12.500% * 57.1698% (0.73 4.42 14.63) = 57.170% kept HB2 PRO 59 - HN THR 61 12.500% * 33.0990% (0.92 2.01 0.90) = 33.099% kept HB2 LYS+ 66 - HN THR 61 12.500% * 7.6566% (0.98 0.44 0.02) = 7.657% kept HB VAL 94 - HN THR 61 12.500% * 1.3294% (0.41 0.18 0.02) = 1.329% kept HB3 LYS+ 72 - HN THR 61 12.500% * 0.2448% (0.69 0.02 0.02) = 0.245% HB2 PRO 104 - HN THR 61 12.500% * 0.2306% (0.65 0.02 0.02) = 0.231% HG3 LYS+ 108 - HN THR 61 12.500% * 0.1598% (0.45 0.02 0.02) = 0.160% HD3 LYS+ 72 - HN THR 61 12.500% * 0.1100% (0.31 0.02 0.02) = 0.110% Peak 1038 (1.10, 7.43, 108.50 ppm): 4 chemical-shift based assignments, quality = 0.66, support = 2.98, residual support = 16.6: * QG2 THR 61 - HN THR 61 25.000% * 81.5103% (0.61 3.56 20.22) = 81.510% kept QG2 THR 79 - HN THR 61 25.000% * 16.5681% (0.99 0.44 0.48) = 16.568% kept HG3 LYS+ 32 - HN THR 61 25.000% * 1.6886% (0.15 0.29 0.55) = 1.689% kept QG2 THR 95 - HN THR 61 25.000% * 0.2330% (0.31 0.02 0.02) = 0.233% Peak 1039 (2.02, 7.43, 108.50 ppm): 11 chemical-shift based assignments, quality = 0.702, support = 0.834, residual support = 0.716: HB3 PRO 31 - HN THR 61 9.091% * 49.5575% (0.98 1.03 0.84) = 49.558% kept HB3 GLU- 75 - HN THR 61 9.091% * 18.5100% (0.42 0.91 1.01) = 18.510% kept HG2 PRO 86 - HN THR 61 9.091% * 16.9703% (0.65 0.54 0.42) = 16.970% kept HG3 PRO 86 - HN THR 61 9.091% * 9.7216% (0.31 0.64 0.42) = 9.722% kept HB3 GLU- 107 - HN THR 61 9.091% * 0.9687% (0.99 0.02 0.02) = 0.969% HB3 GLU- 10 - HN THR 61 9.091% * 0.9245% (0.94 0.02 0.02) = 0.925% HB3 GLU- 54 - HN THR 61 9.091% * 0.8478% (0.87 0.02 0.02) = 0.848% HB2 GLU- 18 - HN THR 61 9.091% * 0.8163% (0.83 0.02 0.02) = 0.816% HB3 GLU- 45 - HN THR 61 9.091% * 0.8163% (0.83 0.02 0.02) = 0.816% HB2 HIS+ 14 - HN THR 61 9.091% * 0.7097% (0.73 0.02 0.02) = 0.710% HG3 GLU- 64 - HN THR 61 9.091% * 0.1572% (0.16 0.02 0.02) = 0.157% Peak 1040 (4.33, 7.43, 108.50 ppm): 2 chemical-shift based assignments, quality = 0.603, support = 0.02, residual support = 0.0719: 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 0.15) = 41.473% kept Reference assignment not found: HB THR 61 - HN THR 61 Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1041 (4.68, 7.43, 108.50 ppm): 6 chemical-shift based assignments, quality = 0.246, support = 3.31, residual support = 20.0: * O HA THR 61 - HN THR 61 16.667% * 98.9029% (0.25 10.0 3.35 20.22) = 98.903% kept HA ASN 89 - HN THR 61 16.667% * 0.3752% (0.94 1.0 0.02 0.02) = 0.375% HA TYR 83 - HN THR 61 16.667% * 0.3031% (0.76 1.0 0.02 0.02) = 0.303% HA GLN 16 - HN THR 61 16.667% * 0.2087% (0.53 1.0 0.02 0.02) = 0.209% HA VAL 99 - HN THR 61 16.667% * 0.1489% (0.37 1.0 0.02 0.02) = 0.149% HA THR 39 - HN THR 61 16.667% * 0.0612% (0.15 1.0 0.02 0.02) = 0.061% Peak 1042 (2.29, 7.43, 108.50 ppm): 8 chemical-shift based assignments, quality = 0.775, support = 0.672, residual support = 0.338: HB2 PRO 86 - HN THR 61 12.500% * 41.4619% (1.00 0.89 0.42) = 41.462% kept HB3 PRO 35 - HN THR 61 12.500% * 22.1877% (0.99 0.47 0.02) = 22.188% kept HB3 PRO 86 - HN THR 61 12.500% * 12.3956% (0.45 0.59 0.42) = 12.396% kept HA1 GLY 58 - HN THR 61 12.500% * 11.0336% (0.52 0.45 0.15) = 11.034% kept HG3 GLU- 75 - HN THR 61 12.500% * 8.7793% (0.25 0.75 1.01) = 8.779% kept HB VAL 80 - HN THR 61 12.500% * 3.1467% (0.20 0.34 0.02) = 3.147% kept HB2 LYS+ 44 - HN THR 61 12.500% * 0.7518% (0.80 0.02 0.02) = 0.752% HG2 GLU- 64 - HN THR 61 12.500% * 0.2433% (0.26 0.02 0.02) = 0.243% Peak 1043 (1.45, 7.43, 108.50 ppm): 9 chemical-shift based assignments, quality = 0.975, support = 2.72, residual support = 10.1: HG3 LYS+ 60 - HN THR 61 11.111% * 65.6782% (1.00 3.62 14.63) = 65.678% kept HG2 PRO 59 - HN THR 61 11.111% * 22.5652% (1.00 1.24 0.90) = 22.565% kept HG13 ILE 48 - HN THR 61 11.111% * 9.6174% (0.94 0.56 3.17) = 9.617% kept QG2 THR 38 - HN THR 61 11.111% * 1.4479% (0.17 0.46 0.02) = 1.448% kept HB3 LEU 67 - HN THR 61 11.111% * 0.2494% (0.69 0.02 0.02) = 0.249% HG LEU 90 - HN THR 61 11.111% * 0.2055% (0.57 0.02 0.02) = 0.206% HG3 LYS+ 55 - HN THR 61 11.111% * 0.1009% (0.28 0.02 0.02) = 0.101% HB3 LYS+ 44 - HN THR 61 11.111% * 0.0718% (0.20 0.02 0.02) = 0.072% QB ALA 70 - HN THR 61 11.111% * 0.0636% (0.17 0.02 0.02) = 0.064% Reference assignment not found: HB3 LYS+ 60 - HN THR 61 Peak 1044 (0.37, 7.43, 108.50 ppm): 2 chemical-shift based assignments, quality = 0.249, support = 1.33, residual support = 3.17: * QD1 ILE 48 - HN THR 61 50.000% * 67.8498% (0.25 1.60 3.17) = 67.850% kept HG12 ILE 48 - HN THR 61 50.000% * 32.1502% (0.25 0.76 3.17) = 32.150% 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): 5 chemical-shift based assignments, quality = 0.318, support = 3.51, residual support = 20.2: O HA LYS+ 78 - HN THR 79 20.000% * 97.8103% (0.31 10.0 3.59 20.61) = 97.810% kept HA LEU 17 - HN THR 79 20.000% * 1.6520% (1.00 1.0 0.10 0.02) = 1.652% kept HA LYS+ 55 - HN THR 79 20.000% * 0.2647% (0.83 1.0 0.02 0.31) = 0.265% HA ALA 103 - HN THR 79 20.000% * 0.2301% (0.73 1.0 0.02 0.02) = 0.230% HB THR 46 - HN THR 79 20.000% * 0.0429% (0.14 1.0 0.02 0.02) = 0.043% Reference assignment not found: HA THR 79 - HN THR 79 Peak 1052 (2.14, 9.03, 108.30 ppm): 12 chemical-shift based assignments, quality = 0.864, support = 3.73, residual support = 18.7: * HB3 LYS+ 78 - HN THR 79 8.333% * 90.8126% (0.90 4.09 20.61) = 90.813% kept HB2 ASP- 28 - HN THR 79 8.333% * 4.1433% (0.94 0.18 0.02) = 4.143% kept HB3 PRO 35 - HN THR 79 8.333% * 2.4562% (0.47 0.21 0.02) = 2.456% kept HG3 GLU- 64 - HN THR 79 8.333% * 0.4916% (0.99 0.02 0.02) = 0.492% HB VAL 47 - HN THR 79 8.333% * 0.3783% (0.76 0.02 0.02) = 0.378% HG2 GLU- 64 - HN THR 79 8.333% * 0.3753% (0.76 0.02 0.02) = 0.375% HB3 GLU- 75 - HN THR 79 8.333% * 0.3595% (0.73 0.02 0.02) = 0.359% HG2 GLU- 45 - HN THR 79 8.333% * 0.3400% (0.69 0.02 0.02) = 0.340% HB VAL 105 - HN THR 79 8.333% * 0.2410% (0.49 0.02 0.02) = 0.241% HG2 PRO 104 - HN THR 79 8.333% * 0.1528% (0.31 0.02 0.02) = 0.153% HA1 GLY 58 - HN THR 79 8.333% * 0.1261% (0.25 0.02 0.02) = 0.126% HB VAL 87 - HN THR 79 8.333% * 0.1234% (0.25 0.02 0.02) = 0.123% Peak 1053 (2.36, 9.03, 108.30 ppm): 5 chemical-shift based assignments, quality = 0.488, support = 2.88, residual support = 13.4: * HB2 LYS+ 78 - HN THR 79 20.000% * 65.0045% (0.25 4.27 20.61) = 65.004% kept HG3 GLU- 50 - HN THR 79 20.000% * 21.5888% (1.00 0.35 0.02) = 21.589% kept HB3 PRO 35 - HN THR 79 20.000% * 11.9719% (0.93 0.21 0.02) = 11.972% kept HA1 GLY 58 - HN THR 79 20.000% * 0.7929% (0.65 0.02 0.02) = 0.793% HB3 GLU- 50 - HN THR 79 20.000% * 0.6419% (0.53 0.02 0.02) = 0.642% Peak 1054 (1.62, 9.03, 108.30 ppm): 7 chemical-shift based assignments, quality = 0.968, support = 3.46, residual support = 18.9: * HG3 LYS+ 78 - HN THR 79 14.286% * 91.8598% (0.99 3.75 20.61) = 91.860% kept HG LEU 43 - HN THR 79 14.286% * 5.2514% (0.83 0.25 0.02) = 5.251% kept HB ILE 68 - HN THR 79 14.286% * 1.7491% (0.83 0.08 0.02) = 1.749% kept HG12 ILE 101 - HN THR 79 14.286% * 0.3953% (0.80 0.02 0.02) = 0.395% HG LEU 23 - HN THR 79 14.286% * 0.3585% (0.73 0.02 0.02) = 0.358% HD3 LYS+ 32 - HN THR 79 14.286% * 0.2994% (0.61 0.02 0.02) = 0.299% HB3 LYS+ 32 - HN THR 79 14.286% * 0.0865% (0.17 0.02 0.02) = 0.086% Peak 1055 (7.53, 9.03, 108.30 ppm): 1 chemical-shift based assignment, quality = 0.964, support = 1.52, residual support = 5.72: * T HN ASP- 82 - HN THR 79 100.000% *100.0000% (0.96 10.00 1.52 5.72) = 100.000% kept Peak 1056 (1.10, 9.03, 108.30 ppm): 3 chemical-shift based assignments, quality = 0.973, support = 3.82, residual support = 17.8: * QG2 THR 79 - HN THR 79 33.333% * 97.1248% (0.99 3.92 18.35) = 97.125% kept QG2 THR 95 - HN THR 79 33.333% * 2.6512% (0.45 0.24 0.02) = 2.651% kept QG2 THR 61 - HN THR 79 33.333% * 0.2240% (0.45 0.02 0.48) = 0.224% Peak 1057 (1.36, 9.03, 108.30 ppm): 8 chemical-shift based assignments, quality = 0.714, support = 3.06, residual support = 15.4: * HG2 LYS+ 78 - HN THR 79 12.500% * 57.0979% (0.73 4.23 20.61) = 57.098% kept QG2 THR 39 - HN THR 79 12.500% * 22.9258% (0.53 2.35 13.85) = 22.926% kept HG3 LYS+ 81 - HN THR 79 12.500% * 11.9817% (0.94 0.68 1.99) = 11.982% kept HB3 LYS+ 20 - HN THR 79 12.500% * 6.7894% (0.98 0.37 2.67) = 6.789% kept HB3 LEU 17 - HN THR 79 12.500% * 0.3683% (0.99 0.02 0.02) = 0.368% QB ALA 11 - HN THR 79 12.500% * 0.3586% (0.96 0.02 0.02) = 0.359% HG3 ARG+ 22 - HN THR 79 12.500% * 0.3515% (0.94 0.02 0.02) = 0.352% HG13 ILE 68 - HN THR 79 12.500% * 0.1268% (0.34 0.02 0.02) = 0.127% 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): 15 chemical-shift based assignments, quality = 0.439, support = 2.05, residual support = 7.62: * O HA1 GLY 58 - HN GLY 58 6.667% * 77.6559% (0.36 10.0 2.32 9.48) = 77.656% kept HB2 GLU- 50 - HN GLY 58 6.667% * 13.6072% (0.79 1.0 1.58 1.69) = 13.607% kept HG3 GLN 16 - HN GLY 58 6.667% * 3.2396% (0.97 1.0 0.31 0.02) = 3.240% kept HB3 PRO 35 - HN GLY 58 6.667% * 2.6293% (0.76 1.0 0.32 0.47) = 2.629% kept HB3 GLU- 75 - HN GLY 58 6.667% * 1.7837% (0.14 1.0 1.18 0.59) = 1.784% kept HG2 GLU- 64 - HN GLY 58 6.667% * 0.2051% (0.94 1.0 0.02 0.02) = 0.205% HG3 MET 97 - HN GLY 58 6.667% * 0.1930% (0.89 1.0 0.02 0.02) = 0.193% HG3 GLU- 18 - HN GLY 58 6.667% * 0.1562% (0.72 1.0 0.02 0.78) = 0.156% HG3 GLU- 64 - HN GLY 58 6.667% * 0.1458% (0.67 1.0 0.02 0.02) = 0.146% HG3 GLN 102 - HN GLY 58 6.667% * 0.1305% (0.60 1.0 0.02 0.02) = 0.130% HB3 PRO 52 - HN GLY 58 6.667% * 0.0965% (0.44 1.0 0.02 0.02) = 0.096% HB VAL 99 - HN GLY 58 6.667% * 0.0479% (0.22 1.0 0.02 0.21) = 0.048% HB3 PRO 104 - HN GLY 58 6.667% * 0.0426% (0.20 1.0 0.02 0.14) = 0.043% HG2 GLN 16 - HN GLY 58 6.667% * 0.0377% (0.17 1.0 0.02 0.02) = 0.038% HG3 GLU- 56 - HN GLY 58 6.667% * 0.0291% (0.13 1.0 0.02 0.02) = 0.029% Peak 1062 (2.78, 8.24, 106.55 ppm): 4 chemical-shift based assignments, quality = 0.765, support = 2.09, residual support = 9.48: O HA1 GLY 58 - HN GLY 58 25.000% * 75.6765% (0.88 10.0 2.32 9.48) = 75.676% kept O HA2 GLY 58 - HN GLY 58 25.000% * 24.2801% (0.41 10.0 1.39 9.48) = 24.280% kept HE3 LYS+ 32 - HN GLY 58 25.000% * 0.0319% (0.37 1.0 0.02 0.02) = 0.032% HB3 ASN 89 - HN GLY 58 25.000% * 0.0115% (0.13 1.0 0.02 0.27) = 0.012% Reference assignment not found: HB3 ASN 57 - HN GLY 58 Peak 1063 (4.38, 8.24, 106.55 ppm): 11 chemical-shift based assignments, quality = 0.5, support = 2.02, residual support = 10.5: * O HA ASN 57 - HN GLY 58 9.091% * 93.3987% (0.48 10.0 2.15 11.08) = 93.399% kept HA TRP 51 - HN GLY 58 9.091% * 3.1436% (0.91 1.0 0.35 4.39) = 3.144% kept HA LYS+ 60 - HN GLY 58 9.091% * 2.3210% (0.94 1.0 0.26 1.03) = 2.321% kept HA SER 27 - HN GLY 58 9.091% * 0.1915% (0.99 1.0 0.02 0.02) = 0.191% HA ALA 37 - HN GLY 58 9.091% * 0.1902% (0.98 1.0 0.02 0.24) = 0.190% HA ALA 91 - HN GLY 58 9.091% * 0.1815% (0.94 1.0 0.02 0.02) = 0.182% HA SER 88 - HN GLY 58 9.091% * 0.1664% (0.86 1.0 0.02 0.02) = 0.166% HB THR 61 - HN GLY 58 9.091% * 0.1393% (0.72 1.0 0.02 0.15) = 0.139% HA2 GLY 26 - HN GLY 58 9.091% * 0.1164% (0.60 1.0 0.02 0.02) = 0.116% HA THR 95 - HN GLY 58 9.091% * 0.0860% (0.44 1.0 0.02 0.02) = 0.086% HA PRO 104 - HN GLY 58 9.091% * 0.0655% (0.34 1.0 0.02 0.14) = 0.065% Peak 1064 (8.81, 8.24, 106.55 ppm): 4 chemical-shift based assignments, quality = 0.906, support = 2.59, residual support = 10.9: * T HN ASN 57 - HN GLY 58 25.000% * 98.1746% (0.91 10.00 2.63 11.08) = 98.175% kept HN LYS+ 60 - HN GLY 58 25.000% * 1.7100% (0.60 1.00 0.53 1.03) = 1.710% kept HN LYS+ 32 - HN GLY 58 25.000% * 0.0888% (0.83 1.00 0.02 0.02) = 0.089% HN SER 69 - HN GLY 58 25.000% * 0.0265% (0.25 1.00 0.02 0.02) = 0.027% Peak 1065 (1.73, 8.24, 106.55 ppm): 4 chemical-shift based assignments, quality = 0.772, support = 1.03, residual support = 1.46: * HB ILE 48 - HN GLY 58 25.000% * 93.7029% (0.79 1.10 1.49) = 93.703% kept HB2 LEU 17 - HN GLY 58 25.000% * 3.5361% (0.34 0.10 0.02) = 3.536% kept HB2 GLN 16 - HN GLY 58 25.000% * 1.3805% (0.64 0.02 0.02) = 1.381% kept HB3 LEU 23 - HN GLY 58 25.000% * 1.3805% (0.64 0.02 4.84) = 1.381% kept Peak 1066 (9.49, 8.24, 106.55 ppm): 3 chemical-shift based assignments, quality = 0.756, support = 1.62, residual support = 4.31: HE1 TRP 51 - HN GLY 58 33.333% * 98.0583% (0.76 1.65 4.39) = 98.058% kept HN ALA 70 - HN GLY 58 33.333% * 1.5535% (0.99 0.02 0.02) = 1.553% kept HN HIS+ 98 - HN GLY 58 33.333% * 0.3882% (0.25 0.02 0.02) = 0.388% Peak 1067 (2.90, 8.24, 106.55 ppm): 5 chemical-shift based assignments, quality = 0.715, support = 2.55, residual support = 9.76: * O HA1 GLY 58 - HN GLY 58 20.000% * 81.4666% (0.68 10.0 2.32 9.48) = 81.467% kept HB3 ASN 57 - HN GLY 58 20.000% * 18.3518% (0.86 1.0 3.59 11.08) = 18.352% kept HE3 LYS+ 81 - HN GLY 58 20.000% * 0.0943% (0.79 1.0 0.02 0.02) = 0.094% HB2 HIS+ 98 - HN GLY 58 20.000% * 0.0667% (0.56 1.0 0.02 0.02) = 0.067% HE3 LYS+ 60 - HN GLY 58 20.000% * 0.0206% (0.17 1.0 0.02 1.03) = 0.021% 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 = 0.469, support = 2.76, residual support = 10.7: * O HA1 GLY 71 - HN GLY 71 16.667% * 84.1809% (0.41 10.0 3.11 12.64) = 84.181% kept HA VAL 62 - HN GLY 71 16.667% * 8.6798% (0.94 1.0 0.90 0.24) = 8.680% kept HA ILE 48 - HN GLY 71 16.667% * 6.6621% (0.64 1.0 1.01 0.92) = 6.662% kept HA VAL 40 - HN GLY 71 16.667% * 0.1836% (0.89 1.0 0.02 0.02) = 0.184% HA VAL 80 - HN GLY 71 16.667% * 0.1776% (0.86 1.0 0.02 0.02) = 0.178% HD3 PRO 31 - HN GLY 71 16.667% * 0.1159% (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): 7 chemical-shift based assignments, quality = 0.985, support = 2.62, residual support = 13.5: * O HA ALA 70 - HN GLY 71 14.286% * 95.9593% (0.99 10.0 2.72 14.02) = 95.959% kept HA THR 46 - HN GLY 71 14.286% * 2.2531% (0.86 1.0 0.54 0.02) = 2.253% kept HB3 SER 49 - HN GLY 71 14.286% * 1.5799% (0.80 1.0 0.41 0.02) = 1.580% kept HA LYS+ 63 - HN GLY 71 14.286% * 0.0953% (0.99 1.0 0.02 0.02) = 0.095% HA THR 24 - HN GLY 71 14.286% * 0.0735% (0.76 1.0 0.02 0.02) = 0.073% HA ARG+ 53 - HN GLY 71 14.286% * 0.0240% (0.25 1.0 0.02 0.02) = 0.024% HD2 PRO 59 - HN GLY 71 14.286% * 0.0148% (0.15 1.0 0.02 0.02) = 0.015% Peak 1074 (0.66, 8.37, 103.40 ppm): 7 chemical-shift based assignments, quality = 0.602, support = 1.44, residual support = 1.09: QG2 ILE 48 - HN GLY 71 14.286% * 39.5591% (0.91 1.56 0.92) = 39.559% kept QG1 VAL 62 - HN GLY 71 14.286% * 16.8310% (0.76 0.79 0.24) = 16.831% kept QG2 ILE 101 - HN GLY 71 14.286% * 14.0667% (0.29 1.73 1.61) = 14.067% kept QG2 ILE 68 - HN GLY 71 14.286% * 12.1038% (0.25 1.75 3.12) = 12.104% kept HG12 ILE 19 - HN GLY 71 14.286% * 11.7122% (0.28 1.52 0.50) = 11.712% kept QD1 ILE 19 - HN GLY 71 14.286% * 5.5888% (0.20 1.02 0.50) = 5.589% kept * QG2 VAL 94 - HN GLY 71 14.286% * 0.1384% (0.25 0.02 0.02) = 0.138% Reference assignment eliminated. Peak 1075 (1.47, 8.37, 103.40 ppm): 6 chemical-shift based assignments, quality = 0.689, support = 2.81, residual support = 10.7: * QB ALA 70 - HN GLY 71 16.667% * 75.4507% (0.64 3.57 14.02) = 75.451% kept HG13 ILE 48 - HN GLY 71 16.667% * 16.9541% (0.83 0.62 0.92) = 16.954% kept HB3 LEU 67 - HN GLY 71 16.667% * 6.2996% (0.99 0.19 0.02) = 6.300% kept HB3 LYS+ 44 - HN GLY 71 16.667% * 0.4493% (0.68 0.02 0.02) = 0.449% HG2 PRO 59 - HN GLY 71 16.667% * 0.4231% (0.64 0.02 0.02) = 0.423% HG3 LYS+ 60 - HN GLY 71 16.667% * 0.4231% (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 = 12.3: * HN LYS+ 72 - HN GLY 71 50.000% * 96.6893% (0.96 3.93 12.67) = 96.689% kept HN LEU 43 - HN GLY 71 50.000% * 3.3107% (0.25 0.52 1.12) = 3.311% kept Peak 1077 (9.50, 8.37, 103.40 ppm): 2 chemical-shift based assignments, quality = 0.934, support = 2.7, residual support = 13.9: * HN ALA 70 - HN GLY 71 50.000% * 99.2690% (0.94 2.72 14.02) = 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 = 0.284, residual support = 0.502: HA ILE 19 - HN GLY 71 100.000% *100.0000% (0.45 0.28 0.50) = 100.000% kept Reference assignment not found: HA SER 69 - HN GLY 71 Not enough support, support cutoff is 0.30 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 = 0.425, support = 3.67, residual support = 14.6: O HA LEU 23 - HN THR 24 50.000% * 96.1089% (0.40 10.0 3.80 15.17) = 96.109% kept HA ASN 15 - HN THR 24 50.000% * 3.8911% (0.96 1.0 0.34 0.02) = 3.891% kept Peak 1092 (1.54, 9.36, 115.05 ppm): 9 chemical-shift based assignments, quality = 0.74, support = 3.02, residual support = 17.7: * QG2 THR 24 - HN THR 24 11.111% * 65.8106% (0.82 4.07 26.72) = 65.811% kept HG13 ILE 29 - HN THR 24 11.111% * 15.7401% (0.71 1.12 0.54) = 15.740% kept HG12 ILE 29 - HN THR 24 11.111% * 12.1236% (0.52 1.19 0.54) = 12.124% kept HB3 LEU 90 - HN THR 24 11.111% * 4.0699% (0.59 0.35 0.02) = 4.070% kept HB ILE 19 - HN THR 24 11.111% * 1.2931% (0.15 0.43 0.02) = 1.293% kept HG LEU 17 - HN THR 24 11.111% * 0.5648% (0.17 0.17 0.02) = 0.565% QB ALA 42 - HN THR 24 11.111% * 0.2038% (0.52 0.02 0.02) = 0.204% HD3 LYS+ 81 - HN THR 24 11.111% * 0.1077% (0.27 0.02 0.02) = 0.108% HD3 LYS+ 60 - HN THR 24 11.111% * 0.0863% (0.22 0.02 0.02) = 0.086% Peak 1093 (1.72, 9.36, 115.05 ppm): 3 chemical-shift based assignments, quality = 0.562, support = 2.44, residual support = 7.55: HB2 GLN 16 - HN THR 24 33.333% * 49.0711% (0.98 0.74 1.21) = 49.071% kept HB3 LEU 23 - HN THR 24 33.333% * 45.8344% (0.15 4.49 15.17) = 45.834% kept HB ILE 48 - HN THR 24 33.333% * 5.0945% (0.24 0.31 0.02) = 5.094% kept Peak 1094 (4.09, 9.36, 115.05 ppm): 7 chemical-shift based assignments, quality = 0.877, support = 3.66, residual support = 26.6: O HA THR 24 - HN THR 24 14.286% * 99.7244% (0.88 10.0 3.67 26.72) = 99.724% kept HB3 SER 49 - HN THR 24 14.286% * 0.0719% (0.63 1.0 0.02 0.02) = 0.072% HA LYS+ 63 - HN THR 24 14.286% * 0.0630% (0.55 1.0 0.02 0.02) = 0.063% HA ALA 70 - HN THR 24 14.286% * 0.0585% (0.52 1.0 0.02 0.02) = 0.059% HB2 SER 49 - HN THR 24 14.286% * 0.0379% (0.33 1.0 0.02 0.02) = 0.038% HA THR 46 - HN THR 24 14.286% * 0.0248% (0.22 1.0 0.02 0.02) = 0.025% HB THR 38 - HN THR 24 14.286% * 0.0195% (0.17 1.0 0.02 0.02) = 0.019% Peak 1095 (1.91, 9.36, 115.05 ppm): 10 chemical-shift based assignments, quality = 0.85, support = 3.55, residual support = 10.8: * HB2 LEU 23 - HN THR 24 10.000% * 70.5773% (0.93 4.62 15.17) = 70.577% kept HB ILE 29 - HN THR 24 10.000% * 17.0265% (0.78 1.32 0.54) = 17.026% kept HB3 GLU- 56 - HN THR 24 10.000% * 4.5505% (0.95 0.29 0.02) = 4.551% kept HB3 GLN 16 - HN THR 24 10.000% * 4.1944% (0.27 0.93 1.21) = 4.194% kept HG2 GLU- 18 - HN THR 24 10.000% * 2.6234% (0.27 0.58 0.02) = 2.623% kept HD3 LYS+ 63 - HN THR 24 10.000% * 0.3203% (0.97 0.02 0.02) = 0.320% HB3 GLN 102 - HN THR 24 10.000% * 0.2898% (0.88 0.02 0.02) = 0.290% HB3 ARG+ 53 - HN THR 24 10.000% * 0.2090% (0.63 0.02 0.02) = 0.209% HB2 GLU- 10 - HN THR 24 10.000% * 0.1449% (0.44 0.02 0.02) = 0.145% HB2 GLU- 75 - HN THR 24 10.000% * 0.0639% (0.19 0.02 0.63) = 0.064% Peak 1096 (4.42, 9.36, 115.05 ppm): 7 chemical-shift based assignments, quality = 0.816, support = 3.03, residual support = 26.6: * O HB THR 24 - HN THR 24 14.286% * 99.6459% (0.82 10.0 3.04 26.72) = 99.646% kept HA LYS+ 66 - HN THR 24 14.286% * 0.1129% (0.93 1.0 0.02 0.02) = 0.113% HA HIS+ 14 - HN THR 24 14.286% * 0.0912% (0.75 1.0 0.02 0.02) = 0.091% HA PRO 86 - HN THR 24 14.286% * 0.0724% (0.59 1.0 0.02 0.02) = 0.072% HA PRO 104 - HN THR 24 14.286% * 0.0332% (0.27 1.0 0.02 0.02) = 0.033% HA THR 95 - HN THR 24 14.286% * 0.0236% (0.19 1.0 0.02 0.02) = 0.024% HA ASN 57 - HN THR 24 14.286% * 0.0209% (0.17 1.0 0.02 0.02) = 0.021% Peak 1098 (4.27, 8.43, 123.78 ppm): 17 chemical-shift based assignments, quality = 0.967, support = 2.89, residual support = 7.05: * O HA PRO 52 - HN ARG+ 53 5.882% * 97.8359% (0.99 10.0 2.95 7.20) = 97.836% kept HA GLU- 64 - HN ARG+ 53 5.882% * 0.7746% (0.79 1.0 0.20 0.02) = 0.775% HB3 SER 49 - HN ARG+ 53 5.882% * 0.4739% (0.18 1.0 0.54 0.02) = 0.474% HD3 PRO 59 - HN ARG+ 53 5.882% * 0.0978% (0.99 1.0 0.02 0.02) = 0.098% HA ARG+ 84 - HN ARG+ 53 5.882% * 0.0978% (0.99 1.0 0.02 0.02) = 0.098% HA SER 85 - HN ARG+ 53 5.882% * 0.0978% (0.99 1.0 0.02 0.02) = 0.098% HA VAL 94 - HN ARG+ 53 5.882% * 0.0976% (0.99 1.0 0.02 0.02) = 0.098% HA VAL 65 - HN ARG+ 53 5.882% * 0.0970% (0.98 1.0 0.02 0.02) = 0.097% HA LEU 90 - HN ARG+ 53 5.882% * 0.0849% (0.86 1.0 0.02 0.02) = 0.085% HA GLU- 75 - HN ARG+ 53 5.882% * 0.0748% (0.76 1.0 0.02 0.42) = 0.075% HA THR 106 - HN ARG+ 53 5.882% * 0.0554% (0.56 1.0 0.02 0.02) = 0.055% HA GLU- 56 - HN ARG+ 53 5.882% * 0.0476% (0.48 1.0 0.02 0.02) = 0.048% HA GLU- 107 - HN ARG+ 53 5.882% * 0.0439% (0.44 1.0 0.02 0.02) = 0.044% HA ASN 76 - HN ARG+ 53 5.882% * 0.0402% (0.41 1.0 0.02 0.02) = 0.040% HA ALA 11 - HN ARG+ 53 5.882% * 0.0334% (0.34 1.0 0.02 0.02) = 0.033% HA ASP- 36 - HN ARG+ 53 5.882% * 0.0302% (0.30 1.0 0.02 0.02) = 0.030% HA PRO 59 - HN ARG+ 53 5.882% * 0.0171% (0.17 1.0 0.02 0.02) = 0.017% Peak 1099 (1.90, 8.43, 123.78 ppm): 8 chemical-shift based assignments, quality = 0.936, support = 3.44, residual support = 30.3: O HB3 ARG+ 53 - HN ARG+ 53 12.500% * 96.1067% (0.95 10.0 3.54 31.56) = 96.107% kept HD3 LYS+ 63 - HN ARG+ 53 12.500% * 3.5512% (0.56 1.0 1.26 0.12) = 3.551% kept HB3 GLN 16 - HN ARG+ 53 12.500% * 0.0919% (0.91 1.0 0.02 0.02) = 0.092% HG2 GLU- 18 - HN ARG+ 53 12.500% * 0.0919% (0.91 1.0 0.02 0.02) = 0.092% HB3 GLN 102 - HN ARG+ 53 12.500% * 0.0761% (0.76 1.0 0.02 0.02) = 0.076% HB3 GLU- 56 - HN ARG+ 53 12.500% * 0.0340% (0.34 1.0 0.02 0.02) = 0.034% HB2 LEU 23 - HN ARG+ 53 12.500% * 0.0307% (0.30 1.0 0.02 0.19) = 0.031% HB ILE 29 - HN ARG+ 53 12.500% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% Reference assignment not found: HB3 GLU- 54 - HN ARG+ 53 Peak 1100 (4.12, 8.43, 123.78 ppm): 9 chemical-shift based assignments, quality = 0.941, support = 3.81, residual support = 30.0: * O HA ARG+ 53 - HN ARG+ 53 11.111% * 95.0885% (0.95 10.0 3.98 31.56) = 95.088% kept HB3 SER 49 - HN ARG+ 53 11.111% * 2.4888% (0.93 1.0 0.54 0.02) = 2.489% kept HA THR 46 - HN ARG+ 53 11.111% * 1.0918% (0.68 1.0 0.32 0.02) = 1.092% kept HA LYS+ 63 - HN ARG+ 53 11.111% * 1.0848% (0.30 1.0 0.71 0.12) = 1.085% kept HD2 PRO 59 - HN ARG+ 53 11.111% * 0.0855% (0.86 1.0 0.02 0.02) = 0.085% HA2 GLY 71 - HN ARG+ 53 11.111% * 0.0677% (0.68 1.0 0.02 0.02) = 0.068% HB2 SER 88 - HN ARG+ 53 11.111% * 0.0442% (0.44 1.0 0.02 0.02) = 0.044% HA ALA 70 - HN ARG+ 53 11.111% * 0.0336% (0.34 1.0 0.02 0.02) = 0.034% HA VAL 87 - HN ARG+ 53 11.111% * 0.0152% (0.15 1.0 0.02 0.02) = 0.015% Peak 1101 (4.50, 8.43, 123.78 ppm): 4 chemical-shift based assignments, quality = 0.768, support = 0.02, residual support = 0.02: HB THR 79 - HN ARG+ 53 25.000% * 36.4350% (0.98 0.02 0.02) = 36.435% kept HA SER 77 - HN ARG+ 53 25.000% * 28.0933% (0.76 0.02 0.02) = 28.093% kept HB THR 46 - HN ARG+ 53 25.000% * 25.2510% (0.68 0.02 0.02) = 25.251% kept HA LYS+ 32 - HN ARG+ 53 25.000% * 10.2207% (0.27 0.02 0.02) = 10.221% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1102 (3.47, 8.82, 121.40 ppm): 5 chemical-shift based assignments, quality = 0.587, support = 3.42, residual support = 4.33: HA1 GLY 30 - HN LYS+ 32 20.000% * 50.7297% (0.41 4.64 7.04) = 50.730% kept * HD3 PRO 31 - HN LYS+ 32 20.000% * 47.6124% (0.80 2.24 1.60) = 47.612% kept HA VAL 40 - HN LYS+ 32 20.000% * 0.9088% (0.45 0.08 0.02) = 0.909% HA1 GLY 71 - HN LYS+ 32 20.000% * 0.4905% (0.92 0.02 0.02) = 0.491% HA VAL 80 - HN LYS+ 32 20.000% * 0.2586% (0.48 0.02 0.02) = 0.259% Peak 1103 (1.48, 9.49, 134.56 ppm): 9 chemical-shift based assignments, quality = 0.995, support = 2.91, residual support = 13.9: * O QB ALA 70 - HN ALA 70 11.111% * 99.6820% (1.00 10.0 2.92 13.94) = 99.682% kept HB3 LYS+ 44 - HN ALA 70 11.111% * 0.0990% (0.99 1.0 0.02 0.02) = 0.099% HB3 LEU 67 - HN ALA 70 11.111% * 0.0566% (0.57 1.0 0.02 0.02) = 0.057% HD3 LYS+ 108 - HN ALA 70 11.111% * 0.0448% (0.45 1.0 0.02 0.02) = 0.045% HB2 LYS+ 72 - HN ALA 70 11.111% * 0.0341% (0.34 1.0 0.02 2.00) = 0.034% HG13 ILE 48 - HN ALA 70 11.111% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HG3 LYS+ 72 - HN ALA 70 11.111% * 0.0249% (0.25 1.0 0.02 2.00) = 0.025% HG3 LYS+ 60 - HN ALA 70 11.111% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% HG2 PRO 59 - HN ALA 70 11.111% * 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): 3 chemical-shift based assignments, quality = 0.532, support = 5.27, residual support = 106.4: * O HA LEU 74 - HN LEU 74 33.333% * 98.5401% (0.53 10.0 5.35 107.93) = 98.540% kept HB THR 96 - HN LEU 74 33.333% * 1.3688% (0.99 1.0 0.15 0.02) = 1.369% kept HB2 SER 77 - HN LEU 74 33.333% * 0.0912% (0.49 1.0 0.02 0.02) = 0.091% Peak 1107 (1.17, 8.45, 129.16 ppm): 5 chemical-shift based assignments, quality = 0.943, support = 5.36, residual support = 107.6: O HB2 LEU 74 - HN LEU 74 20.000% * 99.7020% (0.95 10.0 5.37 107.93) = 99.702% kept QG2 THR 106 - HN LEU 74 20.000% * 0.1033% (0.98 1.0 0.02 0.02) = 0.103% HB2 LEU 43 - HN LEU 74 20.000% * 0.0973% (0.92 1.0 0.02 0.02) = 0.097% HG3 PRO 59 - HN LEU 74 20.000% * 0.0765% (0.73 1.0 0.02 0.02) = 0.077% QB ALA 33 - HN LEU 74 20.000% * 0.0209% (0.20 1.0 0.02 0.53) = 0.021% Reference assignment not found: HG LEU 74 - HN LEU 74 Peak 1108 (1.26, 8.45, 129.16 ppm): 5 chemical-shift based assignments, quality = 0.791, support = 5.23, residual support = 104.7: O HB3 LEU 74 - HN LEU 74 20.000% * 96.9746% (0.80 10.0 5.37 107.93) = 96.975% kept HG13 ILE 101 - HN LEU 74 20.000% * 2.8187% (0.53 1.0 0.88 0.13) = 2.819% kept HG2 LYS+ 32 - HN LEU 74 20.000% * 0.1146% (0.95 1.0 0.02 1.05) = 0.115% HG2 LYS+ 81 - HN LEU 74 20.000% * 0.0735% (0.61 1.0 0.02 0.02) = 0.073% HB2 LYS+ 55 - HN LEU 74 20.000% * 0.0187% (0.15 1.0 0.02 0.02) = 0.019% Reference assignment not found: HG LEU 74 - HN LEU 74 Peak 1109 (-0.06, 8.45, 129.16 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 5.66, residual support = 107.9: * QD1 LEU 74 - HN LEU 74 100.000% *100.0000% (0.20 5.66 107.93) = 100.000% kept Peak 1110 (2.52, 8.26, 122.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 = 0.48, support = 1.36, residual support = 71.3: * O HZ2 TRP 51 - HE1 TRP 51 14.286% * 89.1228% (0.45 10.0 1.48 79.96) = 89.123% kept HN ILE 48 - HE1 TRP 51 14.286% * 4.0524% (0.49 1.0 0.62 0.02) = 4.052% kept HN ARG+ 84 - HE1 TRP 51 14.286% * 3.1923% (0.97 1.0 0.25 0.02) = 3.192% kept HN VAL 47 - HE1 TRP 51 14.286% * 3.1492% (0.95 1.0 0.25 2.08) = 3.149% kept QD PHE 34 - HE1 TRP 51 14.286% * 0.2417% (0.90 1.0 0.02 0.02) = 0.242% QE PHE 34 - HE1 TRP 51 14.286% * 0.1208% (0.45 1.0 0.02 0.02) = 0.121% HZ PHE 34 - HE1 TRP 51 14.286% * 0.1208% (0.45 1.0 0.02 0.02) = 0.121% Peak 1113 (7.14, 9.50, 128.89 ppm): 1 chemical-shift based assignment, quality = 0.566, support = 1.64, residual support = 80.0: * O HD1 TRP 51 - HE1 TRP 51 100.000% *100.0000% (0.57 10.0 1.64 79.96) = 100.000% kept Peak 1114 (2.80, 9.50, 128.89 ppm): 4 chemical-shift based assignments, quality = 0.89, support = 1.45, residual support = 3.94: HA1 GLY 58 - HE1 TRP 51 25.000% * 44.1129% (0.87 1.74 4.39) = 44.113% kept HA2 GLY 58 - HE1 TRP 51 25.000% * 40.3628% (0.92 1.50 4.39) = 40.363% kept HE3 LYS+ 32 - HE1 TRP 51 25.000% * 13.8798% (0.90 0.53 1.63) = 13.880% kept HB3 ASN 89 - HE1 TRP 51 25.000% * 1.6445% (0.57 0.10 0.02) = 1.645% kept Peak 1115 (2.22, 9.50, 128.89 ppm): 14 chemical-shift based assignments, quality = 0.833, support = 1.01, residual support = 3.18: HB2 GLU- 50 - HE1 TRP 51 7.143% * 26.8347% (0.92 1.16 7.48) = 26.835% kept HG3 GLU- 18 - HE1 TRP 51 7.143% * 23.5683% (0.97 0.98 0.95) = 23.568% kept HB3 PRO 52 - HE1 TRP 51 7.143% * 18.5359% (0.98 0.76 1.08) = 18.536% kept HA1 GLY 58 - HE1 TRP 51 7.143% * 16.9103% (0.39 1.74 4.39) = 16.910% kept HG3 GLN 102 - HE1 TRP 51 7.143% * 9.0336% (1.00 0.36 0.02) = 9.034% kept HB3 PRO 35 - HE1 TRP 51 7.143% * 1.9131% (0.83 0.09 0.02) = 1.913% kept HG3 GLN 16 - HE1 TRP 51 7.143% * 1.0142% (0.45 0.09 0.02) = 1.014% kept HG2 GLU- 64 - HE1 TRP 51 7.143% * 0.4282% (0.86 0.02 0.02) = 0.428% HG3 MET 97 - HE1 TRP 51 7.143% * 0.4179% (0.84 0.02 0.02) = 0.418% HG3 GLU- 56 - HE1 TRP 51 7.143% * 0.3237% (0.65 0.02 0.02) = 0.324% HG3 GLU- 10 - HE1 TRP 51 7.143% * 0.2833% (0.57 0.02 0.02) = 0.283% HG3 GLU- 64 - HE1 TRP 51 7.143% * 0.2679% (0.54 0.02 0.02) = 0.268% HG2 GLU- 56 - HE1 TRP 51 7.143% * 0.2632% (0.53 0.02 0.02) = 0.263% HB3 ASN 15 - HE1 TRP 51 7.143% * 0.2057% (0.41 0.02 0.02) = 0.206% Reference assignment not found: HG3 GLU- 54 - HE1 TRP 51 Peak 1116 (1.91, 9.50, 128.89 ppm): 10 chemical-shift based assignments, quality = 0.698, support = 0.559, residual support = 15.6: HB2 LEU 23 - HE1 TRP 51 10.000% * 46.1542% (0.95 0.60 33.19) = 46.154% kept HB3 ARG+ 53 - HE1 TRP 51 10.000% * 20.8552% (0.65 0.40 0.02) = 20.855% kept HG2 GLU- 18 - HE1 TRP 51 10.000% * 20.4939% (0.28 0.90 0.95) = 20.494% kept HB3 GLN 16 - HE1 TRP 51 10.000% * 5.4892% (0.28 0.24 0.02) = 5.489% kept HD3 LYS+ 63 - HE1 TRP 51 10.000% * 1.6152% (0.99 0.02 0.67) = 1.615% kept HB3 GLU- 56 - HE1 TRP 51 10.000% * 1.5727% (0.97 0.02 0.02) = 1.573% kept HB3 GLN 102 - HE1 TRP 51 10.000% * 1.4615% (0.90 0.02 0.02) = 1.462% kept HB ILE 29 - HE1 TRP 51 10.000% * 1.3049% (0.80 0.02 3.18) = 1.305% kept HB2 GLU- 10 - HE1 TRP 51 10.000% * 0.7306% (0.45 0.02 0.02) = 0.731% HB2 GLU- 75 - HE1 TRP 51 10.000% * 0.3225% (0.20 0.02 0.02) = 0.323% Reference assignment not found: HB3 GLU- 54 - HE1 TRP 51 Peak 1117 (1.75, 9.50, 128.89 ppm): 5 chemical-shift based assignments, quality = 0.725, support = 1.1, residual support = 10.7: HB3 LEU 23 - HE1 TRP 51 20.000% * 31.3889% (0.84 1.10 33.19) = 31.389% kept HB3 GLU- 18 - HE1 TRP 51 20.000% * 24.9278% (0.41 1.78 0.95) = 24.928% kept HB2 LEU 17 - HE1 TRP 51 20.000% * 22.7287% (1.00 0.67 0.02) = 22.729% kept HB ILE 48 - HE1 TRP 51 20.000% * 18.7991% (0.69 0.80 0.02) = 18.799% kept HG3 ARG+ 53 - HE1 TRP 51 20.000% * 2.1555% (0.20 0.32 0.02) = 2.155% kept Reference assignment not found: HB3 ARG+ 53 - HE1 TRP 51 Peak 1118 (1.43, 9.50, 128.89 ppm): 12 chemical-shift based assignments, quality = 0.645, support = 0.297, residual support = 0.0196: HD3 LYS+ 44 - HE1 TRP 51 8.333% * 41.5661% (0.84 0.33 0.02) = 41.566% kept HG2 PRO 59 - HE1 TRP 51 8.333% * 23.1000% (0.28 0.55 0.02) = 23.100% kept QB ALA 91 - HE1 TRP 51 8.333% * 13.9314% (0.92 0.10 0.02) = 13.931% kept HG13 ILE 48 - HE1 TRP 51 8.333% * 5.9831% (0.15 0.26 0.02) = 5.983% kept HG3 LYS+ 60 - HE1 TRP 51 8.333% * 3.4728% (0.28 0.08 0.02) = 3.473% kept * HG3 LYS+ 55 - HE1 TRP 51 8.333% * 3.0335% (1.00 0.02 0.02) = 3.034% kept QG2 THR 38 - HE1 TRP 51 8.333% * 2.9275% (0.97 0.02 0.02) = 2.928% kept HG LEU 90 - HE1 TRP 51 8.333% * 2.6314% (0.87 0.02 0.02) = 2.631% kept QB ALA 37 - HE1 TRP 51 8.333% * 1.2471% (0.41 0.02 0.02) = 1.247% kept HG LEU 67 - HE1 TRP 51 8.333% * 0.7564% (0.25 0.02 0.02) = 0.756% HG13 ILE 100 - HE1 TRP 51 8.333% * 0.6754% (0.22 0.02 0.02) = 0.675% QB ALA 93 - HE1 TRP 51 8.333% * 0.6754% (0.22 0.02 0.02) = 0.675% Not enough support, support cutoff is 0.30 Peak unassigned. 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): 5 chemical-shift based assignments, quality = 0.991, support = 4.87, residual support = 54.0: * O HA ILE 29 - HN ILE 29 20.000% * 99.7858% (0.99 10.0 4.88 54.10) = 99.786% kept HA ALA 93 - HN ILE 29 20.000% * 0.0965% (0.96 1.0 0.02 0.02) = 0.097% HA ASP- 36 - HN ILE 29 20.000% * 0.0647% (0.64 1.0 0.02 0.02) = 0.065% HA THR 106 - HN ILE 29 20.000% * 0.0375% (0.37 1.0 0.02 0.02) = 0.038% HA LEU 90 - HN ILE 29 20.000% * 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 = 4.34, residual support = 22.5: * O HA ASP- 28 - HN ILE 29 100.000% *100.0000% (0.28 10.0 4.34 22.47) = 100.000% kept Peak 1124 (0.83, 9.30, 121.49 ppm): 7 chemical-shift based assignments, quality = 0.883, support = 3.64, residual support = 42.8: * QD1 ILE 29 - HN ILE 29 14.286% * 75.3709% (0.98 4.37 54.10) = 75.371% kept QD2 LEU 17 - HN ILE 29 14.286% * 18.0466% (0.57 1.81 11.28) = 18.047% kept QG2 VAL 13 - HN ILE 29 14.286% * 5.4198% (0.80 0.38 0.02) = 5.420% kept QD2 LEU 67 - HN ILE 29 14.286% * 0.3785% (0.22 0.10 0.02) = 0.378% QG1 VAL 13 - HN ILE 29 14.286% * 0.3448% (0.98 0.02 0.02) = 0.345% QG1 VAL 94 - HN ILE 29 14.286% * 0.2817% (0.80 0.02 0.02) = 0.282% QD2 LEU 90 - HN ILE 29 14.286% * 0.1577% (0.45 0.02 0.02) = 0.158% Peak 1125 (1.93, 9.30, 121.49 ppm): 10 chemical-shift based assignments, quality = 0.977, support = 4.8, residual support = 50.1: * O HB ILE 29 - HN ILE 29 10.000% * 90.0713% (0.99 10.0 5.08 54.10) = 90.071% kept HB2 LEU 23 - HN ILE 29 10.000% * 9.5220% (0.90 1.0 2.34 14.94) = 9.522% kept HB2 GLU- 10 - HN ILE 29 10.000% * 0.0815% (0.90 1.0 0.02 0.02) = 0.081% HB3 GLU- 56 - HN ILE 29 10.000% * 0.0788% (0.87 1.0 0.02 0.02) = 0.079% HD3 LYS+ 63 - HN ILE 29 10.000% * 0.0588% (0.65 1.0 0.02 0.02) = 0.059% HB2 GLU- 75 - HN ILE 29 10.000% * 0.0551% (0.61 1.0 0.02 1.70) = 0.055% HB3 GLN 102 - HN ILE 29 10.000% * 0.0407% (0.45 1.0 0.02 0.02) = 0.041% HB3 LYS+ 55 - HN ILE 29 10.000% * 0.0374% (0.41 1.0 0.02 0.02) = 0.037% HG3 PRO 31 - HN ILE 29 10.000% * 0.0341% (0.37 1.0 0.02 0.02) = 0.034% HB3 ARG+ 53 - HN ILE 29 10.000% * 0.0202% (0.22 1.0 0.02 0.02) = 0.020% 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): 2 diagonal assignments: * HN ASN 89 - HN ASN 89 (0.91) kept HN GLN 16 - HN GLN 16 (0.32) kept Peak 1130 (4.68, 8.28, 120.11 ppm): 18 chemical-shift based assignments, quality = 0.782, support = 2.53, residual support = 8.53: * O HA ASN 89 - HN ASN 89 5.556% * 72.7432% (0.95 10.0 1.97 4.11) = 72.743% kept O HA GLN 16 - HN GLN 16 5.556% * 26.9348% (0.35 10.0 4.06 20.58) = 26.935% kept HA TYR 83 - HN ASN 89 5.556% * 0.0612% (0.79 1.0 0.02 0.11) = 0.061% HA ASN 89 - HN GLN 16 5.556% * 0.0534% (0.69 1.0 0.02 0.02) = 0.053% HA TYR 83 - HN GLN 16 5.556% * 0.0443% (0.57 1.0 0.02 0.02) = 0.044% HA GLN 16 - HN ASN 89 5.556% * 0.0372% (0.48 1.0 0.02 0.02) = 0.037% HA VAL 99 - HN ASN 89 5.556% * 0.0261% (0.33 1.0 0.02 0.02) = 0.026% HA VAL 99 - HN GLN 16 5.556% * 0.0189% (0.24 1.0 0.02 0.02) = 0.019% HA THR 61 - HN ASN 89 5.556% * 0.0170% (0.22 1.0 0.02 0.02) = 0.017% HA THR 61 - HN GLN 16 5.556% * 0.0123% (0.16 1.0 0.02 0.02) = 0.012% HA ASN 89 - HN GLU- 12 5.556% * 0.0111% (0.14 1.0 0.02 0.02) = 0.011% HA THR 39 - HN ASN 89 5.556% * 0.0103% (0.13 1.0 0.02 0.02) = 0.010% HA TYR 83 - HN GLU- 12 5.556% * 0.0092% (0.12 1.0 0.02 0.02) = 0.009% HA THR 39 - HN GLN 16 5.556% * 0.0075% (0.10 1.0 0.02 0.02) = 0.007% HA GLN 16 - HN GLU- 12 5.556% * 0.0056% (0.07 1.0 0.02 0.02) = 0.006% HA VAL 99 - HN GLU- 12 5.556% * 0.0039% (0.05 1.0 0.02 0.02) = 0.004% HA THR 61 - HN GLU- 12 5.556% * 0.0026% (0.03 1.0 0.02 0.02) = 0.003% HA THR 39 - HN GLU- 12 5.556% * 0.0016% (0.02 1.0 0.02 0.02) = 0.002% 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 = 0.927, support = 1.42, residual support = 1.99: * O HA GLU- 56 - HN ASN 57 4.762% * 81.0325% (0.96 10.0 1.52 2.41) = 81.033% kept HA ASN 76 - HN ASN 57 4.762% * 5.6331% (0.93 1.0 1.10 0.02) = 5.633% kept HA GLU- 75 - HN ASN 57 4.762% * 5.5748% (0.95 1.0 1.06 0.60) = 5.575% kept HA PRO 59 - HN ASN 57 4.762% * 3.6410% (0.67 1.0 0.97 0.02) = 3.641% kept HD3 PRO 59 - HN ASN 57 4.762% * 3.2150% (0.59 1.0 0.97 0.02) = 3.215% kept HA GLU- 107 - HN ASN 57 4.762% * 0.1049% (0.95 1.0 0.02 0.02) = 0.105% HA GLU- 64 - HN ASN 57 4.762% * 0.1029% (0.93 1.0 0.02 0.02) = 0.103% HA ALA 11 - HN ASN 57 4.762% * 0.0975% (0.88 1.0 0.02 0.02) = 0.098% HA VAL 65 - HN ASN 57 4.762% * 0.0747% (0.67 1.0 0.02 0.02) = 0.075% HA ARG+ 84 - 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 SER 85 - HN ASN 57 4.762% * 0.0659% (0.59 1.0 0.02 0.02) = 0.066% HA VAL 94 - HN ASN 57 4.762% * 0.0616% (0.55 1.0 0.02 0.02) = 0.062% HA LYS+ 108 - 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 GLU- 54 - HN ASN 57 4.762% * 0.0447% (0.40 1.0 0.02 0.02) = 0.045% HA LEU 90 - HN ASN 57 4.762% * 0.0336% (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% HA GLU- 18 - 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 = 0.628, support = 1.18, residual support = 1.22: HA1 GLY 58 - HN PHE 21 20.000% * 43.9238% (0.62 1.47 2.52) = 43.924% kept HE3 LYS+ 60 - HN PHE 21 20.000% * 28.4717% (0.87 0.68 0.11) = 28.472% kept HB2 HIS+ 98 - HN PHE 21 20.000% * 25.9361% (0.41 1.31 0.32) = 25.936% kept HB3 ASN 57 - HN PHE 21 20.000% * 1.4537% (0.17 0.17 0.02) = 1.454% kept HE3 LYS+ 81 - HN PHE 21 20.000% * 0.2146% (0.22 0.02 0.02) = 0.215% Peak 1144 (1.91, 8.94, 123.00 ppm): 9 chemical-shift based assignments, quality = 0.724, support = 2.64, residual support = 14.7: * HB ILE 29 - HN PHE 21 11.111% * 65.9014% (0.69 3.40 21.88) = 65.901% kept HB2 LEU 23 - HN PHE 21 11.111% * 31.4376% (0.87 1.28 0.94) = 31.438% kept HD3 LYS+ 63 - HN PHE 21 11.111% * 0.5630% (1.00 0.02 0.02) = 0.563% HB3 GLN 102 - HN PHE 21 11.111% * 0.5446% (0.96 0.02 0.02) = 0.545% HB3 GLU- 56 - HN PHE 21 11.111% * 0.5061% (0.90 0.02 0.02) = 0.506% HB3 ARG+ 53 - HN PHE 21 11.111% * 0.4312% (0.76 0.02 0.02) = 0.431% HB3 GLN 16 - HN PHE 21 11.111% * 0.2118% (0.37 0.02 0.02) = 0.212% HG2 GLU- 18 - HN PHE 21 11.111% * 0.2118% (0.37 0.02 0.02) = 0.212% HB2 GLU- 10 - HN PHE 21 11.111% * 0.1925% (0.34 0.02 0.02) = 0.192% Peak 1146 (5.35, 8.71, 122.58 ppm): 1 chemical-shift based assignment, quality = 0.56, support = 1.04, residual support = 1.04: HA THR 79 - HN VAL 40 100.000% *100.0000% (0.56 1.04 1.04) = 100.000% kept Peak 1150 (3.84, 8.21, 118.40 ppm): 6 chemical-shift based assignments, quality = 0.722, support = 0.591, residual support = 0.42: HA2 GLY 92 - HN GLU- 45 16.667% * 76.7304% (0.83 0.72 0.54) = 76.730% kept HD3 PRO 86 - HN GLU- 45 16.667% * 11.1841% (0.56 0.15 0.02) = 11.184% kept HB3 SER 88 - HN GLU- 45 16.667% * 8.2847% (0.25 0.26 0.02) = 8.285% kept HB3 SER 41 - HN GLU- 45 16.667% * 2.7222% (0.22 0.10 0.02) = 2.722% kept HB2 SER 85 - HN GLU- 45 16.667% * 0.5710% (0.22 0.02 0.02) = 0.571% HB3 SER 77 - HN GLU- 45 16.667% * 0.5076% (0.20 0.02 0.02) = 0.508% Reference assignment not found: HA GLU- 45 - HN GLU- 45 Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 1151 (0.09, 7.30, 114.60 ppm): 2 chemical-shift based assignments, quality = 0.153, support = 5.32, residual support = 22.4: QG2 VAL 47 - HN ILE 48 50.000% * 98.9571% (0.15 5.37 22.57) = 98.957% kept QG2 VAL 47 - HZ2 TRP 51 50.000% * 1.0429% (0.02 0.49 2.08) = 1.043% kept 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 = 1.08, residual support = 4.71: HA LEU 67 - HN ILE 100 100.000% *100.0000% (0.52 1.08 4.71) = 100.000% kept Peak 1154 (4.06, 7.40, 116.14 ppm): 4 chemical-shift based assignments, quality = 0.665, support = 1.76, residual support = 1.83: HB2 SER 49 - HN GLU- 64 25.000% * 45.0800% (0.92 1.27 2.10) = 45.080% kept HB3 SER 49 - HN GLU- 64 25.000% * 42.0625% (0.40 2.71 2.10) = 42.063% kept HB3 SER 85 - HN GLU- 64 25.000% * 12.0859% (0.68 0.46 0.02) = 12.086% kept HB THR 38 - HN GLU- 64 25.000% * 0.7716% (1.00 0.02 0.02) = 0.772% 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 = 0.782, support = 1.98, residual support = 3.2: * HA VAL 62 - HN GLU- 64 25.000% * 52.7403% (0.64 2.43 3.30) = 52.740% kept HA ILE 48 - HN GLU- 64 25.000% * 46.9779% (0.94 1.48 3.10) = 46.978% kept HA VAL 40 - HN GLU- 64 25.000% * 0.1492% (0.22 0.02 0.02) = 0.149% HA VAL 80 - HN GLU- 64 25.000% * 0.1326% (0.20 0.02 0.02) = 0.133% Peak 1157 (4.96, 8.87, 121.88 ppm): 5 chemical-shift based assignments, quality = 0.639, support = 1.29, residual support = 6.63: HA HIS+ 98 - HN ILE 68 20.000% * 37.0920% (0.92 0.90 12.21) = 37.092% kept HA SER 69 - HN ILE 68 20.000% * 25.1886% (0.20 2.85 7.90) = 25.189% kept HA MET 97 - HN ILE 68 20.000% * 22.9979% (0.69 0.75 0.46) = 22.998% kept HA ILE 101 - HN ILE 68 20.000% * 13.8463% (0.65 0.48 0.02) = 13.846% kept HA ALA 33 - HN ILE 68 20.000% * 0.8751% (0.98 0.02 0.02) = 0.875% Peak 1158 (4.92, 8.74, 127.82 ppm): 2 chemical-shift based assignments, quality = 0.407, support = 5.43, residual support = 114.0: O HA ILE 101 - HN ILE 101 50.000% * 99.2422% (0.41 10.0 5.47 114.85) = 99.242% kept HA HIS+ 98 - HN ILE 101 50.000% * 0.7578% (0.17 1.0 0.36 0.11) = 0.758% Reference assignment not found: HA GLN 102 - HN ILE 101 Peak 1159 (4.73, 8.30, 121.53 ppm): 5 chemical-shift based assignments, quality = 0.203, support = 3.86, residual support = 22.2: * O HA VAL 99 - HN VAL 99 20.000% * 93.7048% (0.18 10.0 4.10 23.60) = 93.705% kept HA LYS+ 20 - HN VAL 99 20.000% * 4.7252% (0.70 1.0 0.26 0.87) = 4.725% kept HA THR 61 - HN VAL 99 20.000% * 1.1269% (0.27 1.0 0.16 0.02) = 1.127% kept HA2 GLY 30 - HN VAL 99 20.000% * 0.2383% (0.45 1.0 0.02 0.02) = 0.238% HA THR 39 - HN VAL 99 20.000% * 0.2049% (0.39 1.0 0.02 0.02) = 0.205% Peak 1160 (8.96, 8.60, 125.48 ppm): 6 chemical-shift based assignments, quality = 0.877, support = 3.78, residual support = 9.01: * T HN MET 97 - HN LYS+ 20 16.667% * 65.3789% (0.96 10.00 3.91 7.18) = 65.379% kept HN ILE 19 - HN LYS+ 20 16.667% * 11.9447% (0.65 1.00 5.45 30.28) = 11.945% kept HN LEU 17 - HN LYS+ 20 16.667% * 7.8878% (1.00 1.00 2.33 0.77) = 7.888% kept HN PHE 21 - HN LYS+ 20 16.667% * 6.1144% (0.53 1.00 3.43 8.87) = 6.114% kept HN THR 96 - HN LYS+ 20 16.667% * 5.2612% (0.65 1.00 2.40 1.55) = 5.261% kept HN ARG+ 22 - HN LYS+ 20 16.667% * 3.4130% (0.73 1.00 1.39 0.42) = 3.413% kept Peak 1161 (4.97, 9.47, 124.72 ppm): 6 chemical-shift based assignments, quality = 0.814, support = 2.26, residual support = 10.6: O HA MET 97 - HN HIS+ 98 16.667% * 61.6413% (0.98 10.0 1.96 2.64) = 61.641% kept O HA HIS+ 98 - HN HIS+ 98 16.667% * 36.4130% (0.56 10.0 2.85 24.66) = 36.413% kept HA SER 69 - HN HIS+ 98 16.667% * 1.4187% (0.52 1.0 0.84 0.02) = 1.419% kept HA ILE 101 - HN HIS+ 98 16.667% * 0.4581% (0.28 1.0 0.51 0.11) = 0.458% HA ALA 33 - HN HIS+ 98 16.667% * 0.0577% (0.89 1.0 0.02 0.02) = 0.058% HA PRO 31 - HN HIS+ 98 16.667% * 0.0113% (0.17 1.0 0.02 0.02) = 0.011% Peak 1162 (3.97, 8.60, 125.48 ppm): 2 chemical-shift based assignments, quality = 0.562, support = 1.13, residual support = 1.1: HA1 GLY 92 - HN LYS+ 20 50.000% * 99.3909% (0.57 1.14 1.10) = 99.391% kept HA LEU 74 - HN LYS+ 20 50.000% * 0.6091% (0.20 0.02 0.02) = 0.609% Peak 1163 (4.69, 8.60, 125.48 ppm): 7 chemical-shift based assignments, quality = 0.635, support = 0.639, residual support = 0.926: HA THR 39 - HN LYS+ 20 14.286% * 37.1508% (0.41 1.08 1.82) = 37.151% kept HA GLN 16 - HN LYS+ 20 14.286% * 31.2855% (0.87 0.43 0.11) = 31.286% kept HA VAL 99 - HN LYS+ 20 14.286% * 24.5033% (0.73 0.40 0.87) = 24.503% kept HA THR 61 - HN LYS+ 20 14.286% * 4.7178% (0.57 0.10 0.02) = 4.718% kept HA ASN 89 - HN LYS+ 20 14.286% * 1.0831% (0.65 0.02 0.02) = 1.083% kept HA TYR 83 - HN LYS+ 20 14.286% * 0.6883% (0.41 0.02 0.02) = 0.688% HA2 GLY 30 - HN LYS+ 20 14.286% * 0.5711% (0.34 0.02 0.26) = 0.571% 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 = 0.407, support = 0.158, residual support = 0.186: T HN THR 95 - HN ARG+ 22 16.667% * 71.8448% (0.41 10.00 0.13 0.25) = 71.845% kept HN SER 69 - HN ARG+ 22 16.667% * 11.2822% (0.25 1.00 0.33 0.02) = 11.282% kept HN ILE 101 - HN ARG+ 22 16.667% * 10.7179% (0.28 1.00 0.28 0.02) = 10.718% kept HN PHE 34 - HN ARG+ 22 16.667% * 2.7762% (1.00 1.00 0.02 0.02) = 2.776% kept HN VAL 62 - HN ARG+ 22 16.667% * 2.6851% (0.97 1.00 0.02 0.02) = 2.685% kept HN GLU- 56 - HN ARG+ 22 16.667% * 0.6938% (0.25 1.00 0.02 0.02) = 0.694% Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1166 (8.94, 8.78, 126.61 ppm): 6 chemical-shift based assignments, quality = 0.804, support = 3.16, residual support = 11.5: * T HN THR 96 - HN THR 95 16.667% * 53.9846% (0.98 10.00 4.50 19.27) = 53.985% kept T HN LEU 17 - HN THR 95 16.667% * 32.4220% (0.67 10.00 1.75 1.08) = 32.422% kept T HN ILE 19 - HN THR 95 16.667% * 7.2463% (0.17 10.00 1.53 9.77) = 7.246% kept T HN ARG+ 22 - HN THR 95 16.667% * 3.3607% (0.97 10.00 0.13 0.25) = 3.361% kept HN MET 97 - HN THR 95 16.667% * 2.4017% (0.48 1.00 1.83 1.04) = 2.402% kept HN PHE 21 - HN THR 95 16.667% * 0.5846% (0.96 1.00 0.22 0.02) = 0.585% Peak 1167 (7.90, 7.97, 120.59 ppm): 2 chemical-shift based assignments, quality = 0.522, support = 3.87, residual support = 13.6: * HN LYS+ 44 - HN LEU 43 50.000% * 92.1936% (0.54 4.15 14.75) = 92.194% kept HN LEU 90 - HN LEU 43 50.000% * 7.8064% (0.36 0.52 0.02) = 7.806% kept Peak 1168 (7.30, 7.32, 122.31 ppm): 1 diagonal assignment: * HN VAL 47 - HN VAL 47 (0.53) kept Peak 1169 (8.73, 7.81, 122.18 ppm): 4 chemical-shift based assignments, quality = 0.938, support = 2.02, residual support = 6.56: * T HN GLU- 56 - HN LYS+ 55 25.000% * 99.6358% (0.94 10.00 2.03 6.58) = 99.636% kept T HN VAL 62 - HN LYS+ 55 25.000% * 0.2345% (0.22 10.00 0.02 0.02) = 0.234% HN ILE 101 - HN LYS+ 55 25.000% * 0.0972% (0.92 1.00 0.02 0.02) = 0.097% HN VAL 40 - HN LYS+ 55 25.000% * 0.0325% (0.31 1.00 0.02 0.02) = 0.033% Peak 1170 (3.50, 7.32, 122.31 ppm): 3 chemical-shift based assignments, quality = 0.256, support = 1.01, residual support = 2.42: HA LYS+ 44 - HN VAL 47 33.333% * 82.3867% (0.25 1.17 2.93) = 82.387% kept HA1 GLY 26 - HN VAL 47 33.333% * 13.5255% (0.15 0.31 0.02) = 13.526% kept HA1 GLY 30 - HN VAL 47 33.333% * 4.0878% (0.73 0.02 0.02) = 4.088% kept Reference assignment not found: HA ILE 48 - HN VAL 47 Peak 1171 (3.70, 7.79, 118.77 ppm): 4 chemical-shift based assignments, quality = 0.966, support = 0.575, residual support = 1.73: HA LYS+ 81 - HN THR 46 25.000% * 66.6498% (1.00 0.75 2.59) = 66.650% kept HB2 TRP 51 - HN THR 46 25.000% * 23.7212% (1.00 0.27 0.02) = 23.721% kept HD2 PRO 52 - HN THR 46 25.000% * 8.0839% (0.65 0.14 0.02) = 8.084% kept HB3 SER 69 - HN THR 46 25.000% * 1.5451% (0.87 0.02 0.02) = 1.545% kept Peak 1172 (9.29, 8.02, 117.84 ppm): 2 chemical-shift based assignments, quality = 0.853, support = 0.667, residual support = 0.342: HN ILE 29 - HN SER 27 50.000% * 59.7008% (0.78 0.82 0.43) = 59.701% kept HN LEU 23 - HN SER 27 50.000% * 40.2992% (0.97 0.44 0.21) = 40.299% kept Peak 1173 (5.97, 9.29, 130.07 ppm): 1 chemical-shift based assignment, quality = 0.448, support = 1.25, residual support = 1.86: HA ASP- 28 - HN LEU 23 100.000% *100.0000% (0.45 1.25 1.86) = 100.000% kept Peak 1174 (5.18, 9.30, 121.49 ppm): 1 chemical-shift based assignment, quality = 0.339, support = 1.56, residual support = 4.59: HA ARG+ 22 - HN ILE 29 100.000% *100.0000% (0.34 1.56 4.59) = 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 1177 (3.47, 7.90, 118.11 ppm): 5 chemical-shift based assignments, quality = 0.526, support = 1.54, residual support = 0.629: HD3 PRO 31 - HN LYS+ 44 20.000% * 33.5768% (0.66 1.69 0.96) = 33.577% kept HA VAL 80 - HN LYS+ 44 20.000% * 22.9131% (0.37 2.04 0.89) = 22.913% kept HA1 GLY 30 - HN LYS+ 44 20.000% * 21.4812% (0.44 1.61 0.28) = 21.481% kept HA1 GLY 71 - HN LYS+ 44 20.000% * 11.5459% (0.78 0.49 0.02) = 11.546% kept HA VAL 40 - HN LYS+ 44 20.000% * 10.4830% (0.34 1.02 0.38) = 10.483% kept Peak 1178 (7.40, 8.74, 120.07 ppm): 2 chemical-shift based assignments, quality = 0.616, support = 2.86, residual support = 6.8: HN GLU- 64 - HN VAL 62 50.000% * 76.2776% (0.77 2.43 3.30) = 76.278% kept HN THR 61 - HN VAL 62 50.000% * 23.7224% (0.14 4.24 18.05) = 23.722% 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 = 0.223, support = 3.71, residual support = 10.6: O HA VAL 80 - HN LYS+ 81 12.500% * 84.0305% (0.17 10.0 4.22 12.37) = 84.031% kept HA VAL 80 - HN THR 106 12.500% * 7.2850% (0.15 1.0 1.99 2.83) = 7.285% kept HA ILE 48 - HN LYS+ 81 12.500% * 6.1170% (0.84 1.0 0.30 0.02) = 6.117% kept HA ILE 48 - HN THR 106 12.500% * 1.8764% (0.73 1.0 0.11 0.02) = 1.876% kept HA VAL 62 - HN LYS+ 81 12.500% * 0.2747% (0.57 1.0 0.02 0.02) = 0.275% HA VAL 62 - HN THR 106 12.500% * 0.2394% (0.50 1.0 0.02 0.02) = 0.239% HA VAL 40 - HN LYS+ 81 12.500% * 0.0945% (0.20 1.0 0.02 0.02) = 0.095% HA VAL 40 - HN THR 106 12.500% * 0.0824% (0.17 1.0 0.02 0.02) = 0.082% Peak 1181 (2.66, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.741, support = 2.58, residual support = 8.98: HB3 ASP- 82 - HN LYS+ 81 16.667% * 63.5768% (0.74 3.60 13.94) = 63.577% kept HB3 ASP- 82 - HN THR 106 16.667% * 17.0152% (0.64 1.10 0.68) = 17.015% kept HA1 GLY 58 - HN LYS+ 81 16.667% * 14.3422% (0.88 0.68 0.02) = 14.342% kept HB3 ASP- 36 - HN LYS+ 81 16.667% * 4.3574% (0.82 0.22 0.02) = 4.357% kept HA1 GLY 58 - HN THR 106 16.667% * 0.3679% (0.77 0.02 0.02) = 0.368% HB3 ASP- 36 - HN THR 106 16.667% * 0.3404% (0.71 0.02 0.02) = 0.340% Peak 1182 (1.35, 8.24, 118.79 ppm): 21 chemical-shift based assignments, quality = 0.728, support = 3.52, residual support = 36.8: HG3 LYS+ 81 - HN LYS+ 81 4.762% * 74.4548% (0.84 4.34 49.00) = 74.455% kept HG3 LYS+ 81 - HN THR 106 4.762% * 16.3075% (0.53 1.49 1.85) = 16.308% kept HG2 LYS+ 78 - HN LYS+ 81 4.762% * 4.4163% (0.30 0.71 0.11) = 4.416% kept QG2 THR 39 - HN LYS+ 81 4.762% * 1.7646% (0.17 0.49 0.02) = 1.765% kept HG2 LYS+ 78 - HN THR 106 4.762% * 1.0286% (0.19 0.26 0.02) = 1.029% kept HG3 ARG+ 22 - HN LYS+ 81 4.762% * 0.3433% (0.84 0.02 0.02) = 0.343% HB3 LEU 17 - HN LYS+ 81 4.762% * 0.3148% (0.77 0.02 0.02) = 0.315% HB3 LYS+ 20 - HN LYS+ 81 4.762% * 0.2493% (0.61 0.02 0.02) = 0.249% QB ALA 11 - HN LYS+ 81 4.762% * 0.2348% (0.57 0.02 0.02) = 0.235% HG3 ARG+ 22 - HN THR 106 4.762% * 0.2191% (0.53 0.02 0.02) = 0.219% HB3 LEU 17 - HN THR 106 4.762% * 0.2009% (0.49 0.02 0.02) = 0.201% HB3 LYS+ 20 - HN THR 106 4.762% * 0.1591% (0.39 0.02 0.02) = 0.159% QB ALA 11 - HN THR 106 4.762% * 0.1498% (0.36 0.02 0.02) = 0.150% QG2 THR 39 - HN THR 106 4.762% * 0.0458% (0.11 0.02 0.02) = 0.046% HG3 ARG+ 22 - HN GLU- 45 4.762% * 0.0228% (0.06 0.02 0.02) = 0.023% HG3 LYS+ 81 - HN GLU- 45 4.762% * 0.0228% (0.06 0.02 0.02) = 0.023% HB3 LEU 17 - HN GLU- 45 4.762% * 0.0209% (0.05 0.02 0.02) = 0.021% HB3 LYS+ 20 - HN GLU- 45 4.762% * 0.0165% (0.04 0.02 0.02) = 0.017% QB ALA 11 - HN GLU- 45 4.762% * 0.0156% (0.04 0.02 0.87) = 0.016% HG2 LYS+ 78 - HN GLU- 45 4.762% * 0.0082% (0.02 0.02 0.02) = 0.008% QG2 THR 39 - HN GLU- 45 4.762% * 0.0048% (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 = 3.9, residual support = 35.0: HG2 LYS+ 81 - HN LYS+ 81 5.556% * 70.7026% (0.88 5.03 49.00) = 70.703% kept HG2 LYS+ 81 - HN THR 106 5.556% * 13.4867% (0.56 1.50 1.85) = 13.487% kept HG2 LYS+ 32 - HN LYS+ 81 5.556% * 12.0729% (0.64 1.17 0.82) = 12.073% kept HB3 LEU 74 - HN LYS+ 81 5.556% * 1.2364% (0.79 0.10 0.02) = 1.236% kept HB3 LEU 74 - HN THR 106 5.556% * 0.7382% (0.51 0.09 0.02) = 0.738% HB2 LYS+ 55 - HN GLU- 45 5.556% * 0.5458% (0.04 0.80 0.02) = 0.546% HG13 ILE 101 - HN LYS+ 81 5.556% * 0.2835% (0.88 0.02 0.10) = 0.283% HB2 LYS+ 55 - HN LYS+ 81 5.556% * 0.2058% (0.64 0.02 0.02) = 0.206% HG13 ILE 101 - HN THR 106 5.556% * 0.1809% (0.56 0.02 0.02) = 0.181% HG2 LYS+ 32 - HN THR 106 5.556% * 0.1313% (0.41 0.02 0.02) = 0.131% HB2 LYS+ 55 - HN THR 106 5.556% * 0.1313% (0.41 0.02 0.02) = 0.131% QB ALA 103 - HN LYS+ 81 5.556% * 0.1271% (0.40 0.02 0.02) = 0.127% QB ALA 103 - HN THR 106 5.556% * 0.0811% (0.25 0.02 0.02) = 0.081% HG13 ILE 101 - HN GLU- 45 5.556% * 0.0188% (0.06 0.02 0.13) = 0.019% HG2 LYS+ 81 - HN GLU- 45 5.556% * 0.0186% (0.06 0.02 0.02) = 0.019% HB3 LEU 74 - HN GLU- 45 5.556% * 0.0169% (0.05 0.02 0.02) = 0.017% HG2 LYS+ 32 - HN GLU- 45 5.556% * 0.0136% (0.04 0.02 0.02) = 0.014% QB ALA 103 - HN GLU- 45 5.556% * 0.0084% (0.03 0.02 0.02) = 0.008% Peak 1184 (4.37, 8.28, 120.11 ppm): 33 chemical-shift based assignments, quality = 0.659, support = 1.32, residual support = 2.68: O HA SER 88 - HN ASN 89 3.030% * 95.2884% (0.67 10.0 1.38 2.81) = 95.288% kept HA ALA 91 - HN ASN 89 3.030% * 2.0359% (0.79 1.0 0.25 0.02) = 2.036% kept HA LYS+ 60 - HN ASN 89 3.030% * 0.2005% (0.98 1.0 0.02 0.02) = 0.201% HA TRP 51 - HN ASN 89 3.030% * 0.2001% (0.98 1.0 0.02 0.02) = 0.200% HA ALA 37 - HN ASN 89 3.030% * 0.1966% (0.96 1.0 0.02 0.02) = 0.197% HA SER 27 - HN ASN 89 3.030% * 0.1935% (0.95 1.0 0.02 0.02) = 0.194% HB THR 61 - HN ASN 89 3.030% * 0.1798% (0.88 1.0 0.02 0.02) = 0.180% HA2 GLY 26 - HN ASN 89 3.030% * 0.1606% (0.79 1.0 0.02 0.02) = 0.161% HA LYS+ 60 - HN GLN 16 3.030% * 0.1452% (0.71 1.0 0.02 0.02) = 0.145% HA TRP 51 - HN GLN 16 3.030% * 0.1449% (0.71 1.0 0.02 0.02) = 0.145% HA ALA 37 - HN GLN 16 3.030% * 0.1424% (0.70 1.0 0.02 0.02) = 0.142% HA SER 27 - HN GLN 16 3.030% * 0.1402% (0.69 1.0 0.02 0.02) = 0.140% HB THR 61 - HN GLN 16 3.030% * 0.1303% (0.64 1.0 0.02 0.02) = 0.130% HA ALA 91 - HN GLN 16 3.030% * 0.1163% (0.57 1.0 0.02 0.02) = 0.116% HA2 GLY 26 - HN GLN 16 3.030% * 0.1163% (0.57 1.0 0.02 0.02) = 0.116% HA SER 88 - HN GLN 16 3.030% * 0.0998% (0.49 1.0 0.02 0.02) = 0.100% HA ASN 57 - HN ASN 89 3.030% * 0.0619% (0.30 1.0 0.02 0.02) = 0.062% HA THR 95 - HN ASN 89 3.030% * 0.0558% (0.27 1.0 0.02 0.02) = 0.056% HA ASN 57 - HN GLN 16 3.030% * 0.0448% (0.22 1.0 0.02 0.02) = 0.045% HA THR 95 - HN GLN 16 3.030% * 0.0404% (0.20 1.0 0.02 0.52) = 0.040% HA PRO 104 - HN ASN 89 3.030% * 0.0397% (0.19 1.0 0.02 0.02) = 0.040% HA LYS+ 60 - HN GLU- 12 3.030% * 0.0301% (0.15 1.0 0.02 0.02) = 0.030% HA TRP 51 - HN GLU- 12 3.030% * 0.0300% (0.15 1.0 0.02 0.02) = 0.030% HA ALA 37 - HN GLU- 12 3.030% * 0.0295% (0.14 1.0 0.02 0.02) = 0.029% HA SER 27 - HN GLU- 12 3.030% * 0.0290% (0.14 1.0 0.02 0.02) = 0.029% HA PRO 104 - HN GLN 16 3.030% * 0.0287% (0.14 1.0 0.02 0.02) = 0.029% HB THR 61 - HN GLU- 12 3.030% * 0.0270% (0.13 1.0 0.02 0.02) = 0.027% HA ALA 91 - HN GLU- 12 3.030% * 0.0241% (0.12 1.0 0.02 0.02) = 0.024% HA2 GLY 26 - HN GLU- 12 3.030% * 0.0241% (0.12 1.0 0.02 0.02) = 0.024% HA SER 88 - HN GLU- 12 3.030% * 0.0207% (0.10 1.0 0.02 0.02) = 0.021% HA ASN 57 - HN GLU- 12 3.030% * 0.0093% (0.05 1.0 0.02 0.02) = 0.009% HA THR 95 - HN GLU- 12 3.030% * 0.0084% (0.04 1.0 0.02 0.02) = 0.008% HA PRO 104 - HN GLU- 12 3.030% * 0.0060% (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 1187 (7.32, 8.96, 124.53 ppm): 21 chemical-shift based assignments, quality = 0.584, support = 1.8, residual support = 14.3: HN ARG+ 84 - HN LEU 17 4.762% * 21.1664% (0.98 1.15 1.35) = 21.166% kept QD PHE 34 - HN ILE 19 4.762% * 19.7566% (0.32 3.30 34.23) = 19.757% kept QD PHE 34 - HN LEU 17 4.762% * 12.2162% (0.92 0.71 0.64) = 12.216% kept QE PHE 34 - HN ILE 19 4.762% * 12.0581% (0.17 3.82 34.23) = 12.058% kept HN VAL 47 - HN LEU 17 4.762% * 9.9579% (0.96 0.55 0.16) = 9.958% kept HZ PHE 34 - HN ILE 19 4.762% * 8.6122% (0.17 2.73 34.23) = 8.612% kept QE PHE 34 - HN LEU 17 4.762% * 5.0104% (0.49 0.55 0.64) = 5.010% kept HZ PHE 34 - HN LEU 17 4.762% * 4.3885% (0.49 0.48 0.64) = 4.389% kept HN ILE 48 - HN LEU 17 4.762% * 3.4402% (0.45 0.41 0.02) = 3.440% kept HN VAL 47 - HN ILE 19 4.762% * 2.6110% (0.33 0.42 0.11) = 2.611% kept HZ2 TRP 51 - HN LEU 17 4.762% * 0.1827% (0.49 0.02 0.02) = 0.183% HN ARG+ 84 - HN ILE 19 4.762% * 0.1272% (0.34 0.02 0.02) = 0.127% HN ARG+ 84 - HN THR 96 4.762% * 0.0721% (0.19 0.02 0.02) = 0.072% HN VAL 47 - HN THR 96 4.762% * 0.0710% (0.19 0.02 0.02) = 0.071% QD PHE 34 - HN THR 96 4.762% * 0.0679% (0.18 0.02 0.02) = 0.068% HZ2 TRP 51 - HN ILE 19 4.762% * 0.0632% (0.17 0.02 0.02) = 0.063% HN ILE 48 - HN ILE 19 4.762% * 0.0582% (0.15 0.02 0.02) = 0.058% HZ2 TRP 51 - HN THR 96 4.762% * 0.0358% (0.10 0.02 0.02) = 0.036% QE PHE 34 - HN THR 96 4.762% * 0.0358% (0.10 0.02 0.02) = 0.036% HZ PHE 34 - HN THR 96 4.762% * 0.0358% (0.10 0.02 0.02) = 0.036% HN ILE 48 - HN THR 96 4.762% * 0.0330% (0.09 0.02 1.32) = 0.033% Peak 1188 (4.91, 8.96, 124.53 ppm): 3 chemical-shift based assignments, quality = 0.0799, support = 4.51, residual support = 70.5: O HA ILE 19 - HN ILE 19 33.333% * 77.3476% (0.06 10.0 5.28 90.57) = 77.348% kept HA ILE 19 - HN LEU 17 33.333% * 16.8010% (0.17 1.0 1.56 1.73) = 16.801% kept HA ILE 19 - HN THR 96 33.333% * 5.8514% (0.03 1.0 2.86 2.53) = 5.851% kept Peak 1189 (4.36, 8.96, 124.53 ppm): 24 chemical-shift based assignments, quality = 0.536, support = 0.5, residual support = 0.17: HA SER 27 - HN LEU 17 4.167% * 29.9681% (0.69 0.55 0.10) = 29.968% kept HB THR 61 - HN ILE 19 4.167% * 21.6805% (0.36 0.76 0.35) = 21.681% kept HA SER 88 - HN LEU 17 4.167% * 19.8614% (0.34 0.73 0.30) = 19.861% kept HA2 GLY 26 - HN LEU 17 4.167% * 8.1645% (1.00 0.10 0.02) = 8.164% kept HA LYS+ 60 - HN LEU 17 4.167% * 6.5343% (0.83 0.10 0.02) = 6.534% kept HA LYS+ 60 - HN ILE 19 4.167% * 4.8367% (0.30 0.20 0.02) = 4.837% kept HB THR 61 - HN LEU 17 4.167% * 1.5818% (0.99 0.02 0.02) = 1.582% kept HA TRP 51 - HN LEU 17 4.167% * 1.3843% (0.87 0.02 0.02) = 1.384% kept HA ALA 37 - HN LEU 17 4.167% * 1.1588% (0.72 0.02 0.02) = 1.159% kept HA ALA 91 - HN LEU 17 4.167% * 0.7155% (0.45 0.02 0.22) = 0.715% HA2 GLY 26 - HN ILE 19 4.167% * 0.5717% (0.36 0.02 0.02) = 0.572% HA TRP 51 - HN ILE 19 4.167% * 0.4970% (0.31 0.02 0.02) = 0.497% HA ALA 37 - HN ILE 19 4.167% * 0.4160% (0.26 0.02 0.02) = 0.416% HA SER 27 - HN ILE 19 4.167% * 0.3936% (0.25 0.02 0.02) = 0.394% HA2 GLY 26 - HN THR 96 4.167% * 0.3019% (0.19 0.02 0.02) = 0.302% HB THR 61 - HN THR 96 4.167% * 0.2999% (0.19 0.02 0.02) = 0.300% HA TRP 51 - HN THR 96 4.167% * 0.2625% (0.16 0.02 0.02) = 0.262% HA ALA 91 - HN ILE 19 4.167% * 0.2569% (0.16 0.02 0.11) = 0.257% HA LYS+ 60 - HN THR 96 4.167% * 0.2528% (0.16 0.02 0.60) = 0.253% HA ALA 37 - HN THR 96 4.167% * 0.2197% (0.14 0.02 0.02) = 0.220% HA SER 27 - HN THR 96 4.167% * 0.2079% (0.13 0.02 0.02) = 0.208% HA SER 88 - HN ILE 19 4.167% * 0.1954% (0.12 0.02 0.02) = 0.195% HA ALA 91 - HN THR 96 4.167% * 0.1357% (0.08 0.02 0.02) = 0.136% HA SER 88 - HN THR 96 4.167% * 0.1032% (0.06 0.02 0.02) = 0.103% Not enough total support, support cutoff is 0.60 Peak unassigned. 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 = 0.61, support = 1.67, residual support = 1.33: HG3 ARG+ 22 - HN VAL 99 16.667% * 47.0183% (0.69 2.43 2.35) = 47.018% kept HB3 LYS+ 20 - HN VAL 99 16.667% * 18.0821% (0.43 1.49 0.87) = 18.082% kept HG3 LYS+ 81 - HN VAL 99 16.667% * 15.9812% (0.69 0.83 0.27) = 15.981% kept HB3 LEU 17 - HN VAL 99 16.667% * 13.6356% (0.60 0.81 0.15) = 13.636% kept QB ALA 11 - HN VAL 99 16.667% * 3.7842% (0.40 0.34 0.02) = 3.784% kept HG2 LYS+ 78 - HN VAL 99 16.667% * 1.4986% (0.18 0.29 0.02) = 1.499% kept Peak 1192 (1.21, 8.30, 121.53 ppm): 2 chemical-shift based assignments, quality = 0.607, support = 3.28, residual support = 19.6: HG12 ILE 100 - HN VAL 99 50.000% * 95.7237% (0.60 3.42 20.44) = 95.724% kept HB2 LEU 67 - HN VAL 99 50.000% * 4.2763% (0.82 0.11 0.33) = 4.276% kept Peak 1193 (1.12, 8.25, 118.98 ppm): 8 chemical-shift based assignments, quality = 0.411, support = 1.47, residual support = 1.12: QG2 THR 79 - HN LYS+ 81 12.500% * 41.9203% (0.34 2.31 1.99) = 41.920% kept QG2 THR 79 - HN THR 106 12.500% * 27.6350% (0.52 1.00 0.39) = 27.635% kept HG3 LYS+ 32 - HN LYS+ 81 12.500% * 20.8567% (0.42 0.93 0.82) = 20.857% kept QB ALA 33 - HN LYS+ 81 12.500% * 4.2986% (0.11 0.71 0.02) = 4.299% kept HG3 LYS+ 32 - HN THR 106 12.500% * 3.3652% (0.64 0.10 0.02) = 3.365% kept QG2 THR 61 - HN THR 106 12.500% * 1.0497% (0.99 0.02 0.02) = 1.050% kept QG2 THR 61 - HN LYS+ 81 12.500% * 0.6906% (0.65 0.02 0.02) = 0.691% QB ALA 33 - HN THR 106 12.500% * 0.1838% (0.17 0.02 0.02) = 0.184% Peak 1195 (4.76, 8.25, 118.98 ppm): 2 chemical-shift based assignments, quality = 0.411, support = 0.945, residual support = 1.07: HA ASN 15 - HN LYS+ 81 50.000% * 60.5478% (0.34 1.22 0.84) = 60.548% kept HA ASN 15 - HN THR 106 50.000% * 39.4522% (0.52 0.52 1.42) = 39.452% kept Peak 1196 (1.38, 8.34, 121.70 ppm): 13 chemical-shift based assignments, quality = 0.0566, support = 2.56, residual support = 8.65: HG13 ILE 100 - HN VAL 99 7.692% * 39.8666% (0.05 4.70 20.44) = 39.867% kept HB3 LYS+ 20 - HN VAL 99 7.692% * 16.3420% (0.07 1.49 0.87) = 16.342% kept HG3 ARG+ 22 - HN VAL 99 7.692% * 12.2424% (0.03 2.43 2.35) = 12.242% kept HB3 LEU 17 - HN VAL 99 7.692% * 5.6617% (0.04 0.81 0.15) = 5.662% kept HG2 LYS+ 78 - HN VAL 99 7.692% * 5.4922% (0.11 0.29 0.02) = 5.492% kept HD3 LYS+ 20 - HN VAL 99 7.692% * 4.2450% (0.10 0.26 0.87) = 4.245% kept HG3 LYS+ 81 - HN VAL 99 7.692% * 4.1611% (0.03 0.83 0.27) = 4.161% kept QB ALA 11 - HN VAL 99 7.692% * 3.9956% (0.07 0.34 0.02) = 3.996% kept QB ALA 93 - HN VAL 99 7.692% * 3.3103% (0.05 0.39 0.02) = 3.310% kept HG LEU 67 - HN VAL 99 7.692% * 2.1599% (0.05 0.28 0.33) = 2.160% kept HG13 ILE 68 - HN VAL 99 7.692% * 1.9979% (0.13 0.09 0.02) = 1.998% kept QG2 THR 39 - HN VAL 99 7.692% * 0.4359% (0.13 0.02 0.02) = 0.436% QB ALA 37 - HN VAL 99 7.692% * 0.0894% (0.03 0.02 0.02) = 0.089% Peak 1197 (4.78, 8.06, 119.92 ppm): 2 chemical-shift based assignments, quality = 0.99, support = 2.53, residual support = 8.57: O HA ASN 15 - HN ASN 15 50.000% * 99.9621% (0.99 10.0 2.53 8.58) = 99.962% kept HA LEU 23 - HN ASN 15 50.000% * 0.0379% (0.37 1.0 0.02 0.02) = 0.038% Peak 1198 (4.42, 8.06, 119.92 ppm): 7 chemical-shift based assignments, quality = 0.831, support = 1.78, residual support = 5.01: O HA HIS+ 14 - HN ASN 15 14.286% * 99.5667% (0.83 10.0 1.79 5.03) = 99.567% kept HA LYS+ 66 - HN ASN 15 14.286% * 0.1309% (0.98 1.0 0.02 0.02) = 0.131% HB THR 24 - HN ASN 15 14.286% * 0.1021% (0.76 1.0 0.02 0.02) = 0.102% HA PRO 86 - HN ASN 15 14.286% * 0.0917% (0.69 1.0 0.02 0.02) = 0.092% HA PRO 104 - HN ASN 15 14.286% * 0.0456% (0.34 1.0 0.02 0.02) = 0.046% HA THR 95 - HN ASN 15 14.286% * 0.0333% (0.25 1.0 0.02 0.02) = 0.033% HA ASN 57 - HN ASN 15 14.286% * 0.0297% (0.22 1.0 0.02 0.02) = 0.030% Peak 1199 (4.20, 8.06, 119.92 ppm): 4 chemical-shift based assignments, quality = 0.523, support = 0.854, residual support = 1.12: HA GLU- 12 - HN ASN 15 25.000% * 66.9460% (0.45 1.20 1.66) = 66.946% kept HA VAL 73 - HN ASN 15 25.000% * 12.1275% (0.41 0.24 0.02) = 12.127% kept HA ASP- 82 - HN ASN 15 25.000% * 10.9868% (0.90 0.10 0.02) = 10.987% kept HB3 SER 49 - HN ASN 15 25.000% * 9.9397% (0.75 0.11 0.02) = 9.940% kept Peak 1200 (2.00, 8.06, 119.92 ppm): 11 chemical-shift based assignments, quality = 0.685, support = 1.17, residual support = 2.7: HB2 HIS+ 14 - HN ASN 15 9.091% * 39.7977% (0.80 1.44 5.03) = 39.798% kept HB2 LYS+ 108 - HN ASN 15 9.091% * 35.6027% (0.76 1.35 1.87) = 35.603% kept HB3 GLU- 107 - HN ASN 15 9.091% * 8.2078% (0.41 0.58 0.02) = 8.208% kept HB2 GLU- 18 - HN ASN 15 9.091% * 5.7110% (0.69 0.24 0.33) = 5.711% kept HB3 GLU- 75 - HN ASN 15 9.091% * 5.2814% (0.23 0.65 0.17) = 5.281% kept HB VAL 73 - HN ASN 15 9.091% * 4.2074% (0.22 0.55 0.02) = 4.207% kept HG2 PRO 86 - HN ASN 15 9.091% * 0.5984% (0.87 0.02 0.02) = 0.598% HG3 PRO 104 - HN ASN 15 9.091% * 0.1918% (0.28 0.02 0.02) = 0.192% HB3 PRO 31 - HN ASN 15 9.091% * 0.1720% (0.25 0.02 0.02) = 0.172% HB3 GLU- 10 - HN ASN 15 9.091% * 0.1365% (0.20 0.02 0.02) = 0.137% HB3 GLU- 54 - HN ASN 15 9.091% * 0.0934% (0.14 0.02 0.02) = 0.093% Peak 1201 (1.81, 8.06, 119.92 ppm): 9 chemical-shift based assignments, quality = 0.699, support = 0.965, residual support = 1.32: HG3 LYS+ 108 - HN ASN 15 11.111% * 41.6898% (0.73 1.41 1.87) = 41.690% kept HB3 LYS+ 108 - HN ASN 15 11.111% * 28.5986% (0.76 0.92 1.87) = 28.599% kept HB3 LYS+ 63 - HN ASN 15 11.111% * 16.0553% (0.76 0.52 0.02) = 16.055% kept HG3 LYS+ 63 - HN ASN 15 11.111% * 5.5125% (0.34 0.40 0.02) = 5.513% kept HD3 LYS+ 72 - HN ASN 15 11.111% * 3.4754% (0.87 0.10 0.02) = 3.475% kept HB2 PRO 59 - HN ASN 15 11.111% * 2.7024% (0.25 0.27 0.02) = 2.702% kept HG3 ARG+ 53 - HN ASN 15 11.111% * 0.8462% (0.22 0.09 0.02) = 0.846% HB3 ARG+ 84 - HN ASN 15 11.111% * 0.8137% (1.00 0.02 0.02) = 0.814% HG2 PRO 31 - HN ASN 15 11.111% * 0.3061% (0.37 0.02 0.02) = 0.306% Peak 1202 (2.10, 8.06, 119.92 ppm): 11 chemical-shift based assignments, quality = 0.795, support = 0.464, residual support = 0.324: HB3 GLU- 75 - HN ASN 15 9.091% * 45.6824% (1.00 0.65 0.17) = 45.682% kept HG3 GLU- 64 - HN ASN 15 9.091% * 16.7073% (0.74 0.32 0.02) = 16.707% kept HB VAL 65 - HN ASN 15 9.091% * 13.4778% (0.98 0.20 0.02) = 13.478% kept HA1 GLY 58 - HN ASN 15 9.091% * 8.5763% (0.20 0.62 2.48) = 8.576% kept HG2 GLU- 64 - HN ASN 15 9.091% * 7.3714% (0.35 0.30 0.02) = 7.371% kept HB3 LEU 43 - HN ASN 15 9.091% * 6.3299% (0.65 0.14 0.39) = 6.330% kept HB VAL 87 - HN ASN 15 9.091% * 0.5741% (0.41 0.02 0.19) = 0.574% HB3 PRO 35 - HN ASN 15 9.091% * 0.4117% (0.29 0.02 0.02) = 0.412% HB ILE 101 - HN ASN 15 9.091% * 0.3482% (0.25 0.02 0.02) = 0.348% HB VAL 105 - HN ASN 15 9.091% * 0.2764% (0.20 0.02 0.02) = 0.276% HB VAL 62 - HN ASN 15 9.091% * 0.2446% (0.17 0.02 0.02) = 0.245% Not enough total support, support cutoff is 0.60 Peak unassigned. Peak 1203 (8.26, 8.26, 120.16 ppm): 3 diagonal assignments: HN GLN 16 - HN GLN 16 (0.76) kept 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): 6 chemical-shift based assignments, quality = 0.843, support = 2.53, residual support = 4.23: O HA ASN 15 - HN GLN 16 16.667% * 94.8340% (0.86 10.0 2.64 4.41) = 94.834% kept HA ASN 15 - HN GLU- 12 16.667% * 2.9568% (0.69 1.0 0.78 1.66) = 2.957% kept HA ASN 15 - HN ASN 89 16.667% * 1.1924% (0.59 1.0 0.37 0.10) = 1.192% kept HA LEU 23 - HN ASN 89 16.667% * 0.9453% (0.25 1.0 0.69 0.02) = 0.945% HA LEU 23 - HN GLN 16 16.667% * 0.0398% (0.36 1.0 0.02 0.92) = 0.040% HA LEU 23 - HN GLU- 12 16.667% * 0.0318% (0.29 1.0 0.02 0.02) = 0.032% 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 (4.24, 8.49, 124.44 ppm): 45 chemical-shift based assignments, quality = 0.728, support = 2.93, residual support = 21.1: O HA GLU- 10 - HN GLU- 10 2.222% * 51.1270% (0.87 10.0 2.61 14.46) = 51.127% kept O HA GLU- 18 - HN GLU- 18 2.222% * 39.4082% (0.67 10.0 3.75 34.18) = 39.408% kept O HA GLU- 107 - HN GLU- 107 2.222% * 5.5861% (0.11 10.0 1.74 2.64) = 5.586% kept HA ALA 11 - HN GLU- 10 2.222% * 2.1481% (0.63 1.0 1.15 3.82) = 2.148% kept HA GLU- 18 - HN GLU- 10 2.222% * 0.7683% (0.73 1.0 0.36 0.02) = 0.768% HA GLU- 54 - HN GLU- 10 2.222% * 0.0511% (0.87 1.0 0.02 0.02) = 0.051% HA LYS+ 108 - HN GLU- 10 2.222% * 0.0511% (0.87 1.0 0.02 0.02) = 0.051% HA ALA 42 - HN GLU- 10 2.222% * 0.0473% (0.80 1.0 0.02 0.02) = 0.047% HA PRO 59 - HN GLU- 10 2.222% * 0.0473% (0.80 1.0 0.02 0.02) = 0.047% HA LYS+ 108 - HN GLU- 18 2.222% * 0.0471% (0.80 1.0 0.02 0.02) = 0.047% HA GLU- 54 - HN GLU- 18 2.222% * 0.0471% (0.80 1.0 0.02 0.18) = 0.047% HA GLU- 10 - HN GLU- 18 2.222% * 0.0471% (0.80 1.0 0.02 0.02) = 0.047% HA SER 49 - HN GLU- 10 2.222% * 0.0444% (0.76 1.0 0.02 0.02) = 0.044% HA PRO 59 - HN GLU- 18 2.222% * 0.0436% (0.74 1.0 0.02 0.02) = 0.044% HA ALA 42 - HN GLU- 18 2.222% * 0.0436% (0.74 1.0 0.02 0.02) = 0.044% HA SER 49 - HN GLU- 18 2.222% * 0.0409% (0.70 1.0 0.02 0.02) = 0.041% HA ALA 11 - HN GLU- 18 2.222% * 0.0343% (0.58 1.0 0.02 0.02) = 0.034% HA ASN 76 - HN GLU- 10 2.222% * 0.0331% (0.56 1.0 0.02 0.02) = 0.033% HA GLU- 107 - HN GLU- 10 2.222% * 0.0311% (0.53 1.0 0.02 0.02) = 0.031% HA ASN 76 - HN GLU- 18 2.222% * 0.0305% (0.52 1.0 0.02 0.02) = 0.031% HA GLU- 56 - HN GLU- 10 2.222% * 0.0290% (0.49 1.0 0.02 0.02) = 0.029% HA GLU- 107 - HN GLU- 18 2.222% * 0.0286% (0.49 1.0 0.02 0.02) = 0.029% HA GLU- 56 - HN GLU- 18 2.222% * 0.0267% (0.45 1.0 0.02 0.02) = 0.027% HB3 SER 49 - HN GLU- 10 2.222% * 0.0207% (0.35 1.0 0.02 0.02) = 0.021% HA GLU- 12 - HN GLU- 10 2.222% * 0.0192% (0.33 1.0 0.02 0.02) = 0.019% HB3 SER 49 - HN GLU- 18 2.222% * 0.0190% (0.32 1.0 0.02 0.02) = 0.019% HA GLU- 12 - HN GLU- 18 2.222% * 0.0177% (0.30 1.0 0.02 0.02) = 0.018% HA GLU- 75 - HN GLU- 10 2.222% * 0.0158% (0.27 1.0 0.02 0.02) = 0.016% HA GLU- 75 - HN GLU- 18 2.222% * 0.0146% (0.25 1.0 0.02 0.02) = 0.015% HA GLU- 64 - HN GLU- 10 2.222% * 0.0142% (0.24 1.0 0.02 0.02) = 0.014% HA GLU- 64 - HN GLU- 18 2.222% * 0.0131% (0.22 1.0 0.02 0.02) = 0.013% HA GLU- 54 - HN GLU- 107 2.222% * 0.0105% (0.18 1.0 0.02 0.02) = 0.011% HA GLU- 10 - HN GLU- 107 2.222% * 0.0105% (0.18 1.0 0.02 0.02) = 0.011% HA LYS+ 108 - HN GLU- 107 2.222% * 0.0105% (0.18 1.0 0.02 8.47) = 0.011% HA ALA 42 - HN GLU- 107 2.222% * 0.0098% (0.17 1.0 0.02 0.02) = 0.010% HA PRO 59 - HN GLU- 107 2.222% * 0.0098% (0.17 1.0 0.02 0.02) = 0.010% HA SER 49 - HN GLU- 107 2.222% * 0.0092% (0.16 1.0 0.02 0.02) = 0.009% HA GLU- 18 - HN GLU- 107 2.222% * 0.0088% (0.15 1.0 0.02 0.02) = 0.009% HA ALA 11 - HN GLU- 107 2.222% * 0.0077% (0.13 1.0 0.02 0.02) = 0.008% HA ASN 76 - HN GLU- 107 2.222% * 0.0068% (0.12 1.0 0.02 0.02) = 0.007% HA GLU- 56 - HN GLU- 107 2.222% * 0.0060% (0.10 1.0 0.02 0.02) = 0.006% HB3 SER 49 - HN GLU- 107 2.222% * 0.0043% (0.07 1.0 0.02 0.02) = 0.004% HA GLU- 12 - HN GLU- 107 2.222% * 0.0040% (0.07 1.0 0.02 0.02) = 0.004% HA GLU- 75 - HN GLU- 107 2.222% * 0.0033% (0.06 1.0 0.02 0.02) = 0.003% HA GLU- 64 - HN GLU- 107 2.222% * 0.0029% (0.05 1.0 0.02 0.02) = 0.003% Peak 1209 (4.38, 8.93, 124.84 ppm): 22 chemical-shift based assignments, quality = 0.289, support = 3.24, residual support = 18.4: O HA THR 95 - HN THR 96 4.545% * 95.2991% (0.30 10.0 3.39 19.27) = 95.299% kept HA SER 88 - HN LEU 17 4.545% * 1.1409% (0.10 1.0 0.73 0.30) = 1.141% kept HA SER 27 - HN LEU 17 4.545% * 1.0652% (0.12 1.0 0.55 0.10) = 1.065% kept HA ALA 37 - HN THR 96 4.545% * 0.2539% (0.80 1.0 0.02 0.02) = 0.254% HA SER 27 - HN THR 96 4.545% * 0.2534% (0.80 1.0 0.02 0.02) = 0.253% HA LYS+ 60 - HN THR 96 4.545% * 0.2489% (0.79 1.0 0.02 0.60) = 0.249% HA TRP 51 - HN THR 96 4.545% * 0.2451% (0.77 1.0 0.02 0.02) = 0.245% HA ALA 91 - HN THR 96 4.545% * 0.2277% (0.72 1.0 0.02 0.02) = 0.228% HA SER 88 - HN THR 96 4.545% * 0.2033% (0.64 1.0 0.02 0.02) = 0.203% HB THR 61 - HN THR 96 4.545% * 0.2033% (0.64 1.0 0.02 0.02) = 0.203% HA LYS+ 60 - HN LEU 17 4.545% * 0.1876% (0.12 1.0 0.10 0.02) = 0.188% HA2 GLY 26 - HN THR 96 4.545% * 0.1744% (0.55 1.0 0.02 0.02) = 0.174% HA2 GLY 26 - HN LEU 17 4.545% * 0.1375% (0.08 1.0 0.10 0.02) = 0.138% HA ASN 57 - HN THR 96 4.545% * 0.1044% (0.33 1.0 0.02 0.02) = 0.104% HA PRO 104 - HN THR 96 4.545% * 0.0706% (0.22 1.0 0.02 0.02) = 0.071% HA ALA 37 - HN LEU 17 4.545% * 0.0391% (0.12 1.0 0.02 0.02) = 0.039% HA TRP 51 - HN LEU 17 4.545% * 0.0377% (0.12 1.0 0.02 0.02) = 0.038% HA ALA 91 - HN LEU 17 4.545% * 0.0350% (0.11 1.0 0.02 0.22) = 0.035% HB THR 61 - HN LEU 17 4.545% * 0.0313% (0.10 1.0 0.02 0.02) = 0.031% HA ASN 57 - HN LEU 17 4.545% * 0.0161% (0.05 1.0 0.02 0.02) = 0.016% HA THR 95 - HN LEU 17 4.545% * 0.0147% (0.05 1.0 0.02 1.08) = 0.015% HA PRO 104 - HN LEU 17 4.545% * 0.0109% (0.03 1.0 0.02 0.02) = 0.011% Peak 1210 (8.76, 8.97, 124.78 ppm): 18 chemical-shift based assignments, quality = 0.333, support = 2.01, residual support = 8.19: T HN THR 95 - HN ILE 19 5.556% * 35.4849% (0.40 10.00 1.53 9.77) = 35.485% kept T HN PHE 34 - HN LEU 17 5.556% * 22.0891% (0.38 10.00 1.02 0.64) = 22.089% kept T HN THR 95 - HN THR 96 5.556% * 20.9153% (0.18 10.00 4.50 19.27) = 20.915% kept T HN THR 95 - HN LEU 17 5.556% * 15.5479% (0.15 10.00 1.75 1.08) = 15.548% kept HN VAL 62 - HN ILE 19 5.556% * 3.6054% (0.95 1.00 0.66 0.02) = 3.605% kept T HN PHE 34 - HN ILE 19 5.556% * 1.1237% (0.98 10.00 0.02 34.23) = 1.124% kept HN VAL 62 - HN LEU 17 5.556% * 0.7818% (0.36 1.00 0.37 0.02) = 0.782% HN ILE 101 - HN THR 96 5.556% * 0.2056% (0.12 1.00 0.29 0.02) = 0.206% HN PHE 34 - HN THR 96 5.556% * 0.0508% (0.44 1.00 0.02 0.02) = 0.051% HN VAL 62 - HN THR 96 5.556% * 0.0491% (0.43 1.00 0.02 0.02) = 0.049% HN ILE 101 - HN ILE 19 5.556% * 0.0313% (0.27 1.00 0.02 0.02) = 0.031% HN GLU- 56 - HN ILE 19 5.556% * 0.0281% (0.24 1.00 0.02 0.02) = 0.028% HN SER 69 - HN ILE 19 5.556% * 0.0281% (0.24 1.00 0.02 0.02) = 0.028% HN GLU- 56 - HN THR 96 5.556% * 0.0127% (0.11 1.00 0.02 0.02) = 0.013% HN SER 69 - HN THR 96 5.556% * 0.0127% (0.11 1.00 0.02 0.02) = 0.013% HN ILE 101 - HN LEU 17 5.556% * 0.0120% (0.10 1.00 0.02 0.02) = 0.012% HN GLU- 56 - HN LEU 17 5.556% * 0.0108% (0.09 1.00 0.02 0.02) = 0.011% HN SER 69 - HN LEU 17 5.556% * 0.0108% (0.09 1.00 0.02 0.02) = 0.011% Peak 1211 (4.69, 8.97, 124.78 ppm): 21 chemical-shift based assignments, quality = 0.31, support = 2.96, residual support = 15.0: O HA GLN 16 - HN LEU 17 4.762% * 70.8610% (0.23 10.0 3.74 21.02) = 70.861% kept HA GLN 16 - HN ILE 19 4.762% * 14.6493% (0.59 1.0 1.59 0.47) = 14.649% kept HA THR 61 - HN ILE 19 4.762% * 5.7670% (0.30 1.0 1.23 0.35) = 5.767% kept HA TYR 83 - HN ILE 19 4.762% * 2.9180% (0.67 1.0 0.28 0.02) = 2.918% kept HA ASN 89 - HN ILE 19 4.762% * 2.6937% (0.88 1.0 0.20 0.02) = 2.694% kept HA TYR 83 - HN LEU 17 4.762% * 0.9791% (0.26 1.0 0.24 0.02) = 0.979% HA GLN 16 - HN THR 96 4.762% * 0.7611% (0.27 1.0 0.18 0.02) = 0.761% HA THR 61 - HN LEU 17 4.762% * 0.5590% (0.12 1.0 0.31 0.02) = 0.559% HA VAL 99 - HN ILE 19 4.762% * 0.1364% (0.44 1.0 0.02 0.02) = 0.136% HA ASN 89 - HN THR 96 4.762% * 0.1232% (0.40 1.0 0.02 0.02) = 0.123% HA ASN 89 - HN LEU 17 4.762% * 0.1048% (0.34 1.0 0.02 0.02) = 0.105% HA TYR 83 - HN THR 96 4.762% * 0.0944% (0.30 1.0 0.02 0.02) = 0.094% HA VAL 99 - HN THR 96 4.762% * 0.0616% (0.20 1.0 0.02 0.02) = 0.062% HA THR 39 - HN ILE 19 4.762% * 0.0602% (0.19 1.0 0.02 0.70) = 0.060% HA VAL 99 - HN LEU 17 4.762% * 0.0524% (0.17 1.0 0.02 0.15) = 0.052% HA2 GLY 30 - HN ILE 19 4.762% * 0.0469% (0.15 1.0 0.02 0.02) = 0.047% HA THR 61 - HN THR 96 4.762% * 0.0424% (0.14 1.0 0.02 0.02) = 0.042% HA THR 39 - HN THR 96 4.762% * 0.0272% (0.09 1.0 0.02 0.02) = 0.027% HA THR 39 - HN LEU 17 4.762% * 0.0231% (0.07 1.0 0.02 0.02) = 0.023% HA2 GLY 30 - HN THR 96 4.762% * 0.0212% (0.07 1.0 0.02 0.02) = 0.021% HA2 GLY 30 - HN LEU 17 4.762% * 0.0180% (0.06 1.0 0.02 0.02) = 0.018% Peak 1212 (1.88, 8.97, 124.78 ppm): 18 chemical-shift based assignments, quality = 0.639, support = 2.99, residual support = 11.9: HG2 GLU- 18 - HN ILE 19 5.556% * 43.2849% (0.90 3.22 8.02) = 43.285% kept HB3 GLN 16 - HN LEU 17 5.556% * 23.9989% (0.35 4.65 21.02) = 23.999% kept HG2 GLU- 18 - HN LEU 17 5.556% * 12.1591% (0.35 2.35 26.99) = 12.159% kept HB3 GLN 16 - HN ILE 19 5.556% * 11.2319% (0.90 0.84 0.47) = 11.232% kept HG2 GLU- 18 - HN THR 96 5.556% * 2.9651% (0.41 0.49 0.02) = 2.965% kept HB VAL 94 - HN ILE 19 5.556% * 2.9183% (0.19 1.01 0.17) = 2.918% kept HB VAL 94 - HN THR 96 5.556% * 2.6230% (0.09 2.01 0.63) = 2.623% kept HB3 ARG+ 53 - HN ILE 19 5.556% * 0.1650% (0.55 0.02 0.02) = 0.165% HB3 GLN 102 - HN THR 96 5.556% * 0.1541% (0.14 0.08 0.02) = 0.154% HB3 GLN 16 - HN THR 96 5.556% * 0.1215% (0.41 0.02 0.02) = 0.122% HB3 GLN 102 - HN ILE 19 5.556% * 0.0899% (0.30 0.02 0.02) = 0.090% HB3 ARG+ 53 - HN THR 96 5.556% * 0.0745% (0.25 0.02 0.02) = 0.075% HB3 ARG+ 53 - HN LEU 17 5.556% * 0.0634% (0.21 0.02 0.02) = 0.063% HD3 LYS+ 63 - HN ILE 19 5.556% * 0.0510% (0.17 0.02 0.02) = 0.051% HB3 GLN 102 - HN LEU 17 5.556% * 0.0345% (0.12 0.02 0.02) = 0.035% HD3 LYS+ 63 - HN THR 96 5.556% * 0.0231% (0.08 0.02 0.02) = 0.023% HB VAL 94 - HN LEU 17 5.556% * 0.0221% (0.07 0.02 8.81) = 0.022% HD3 LYS+ 63 - HN LEU 17 5.556% * 0.0196% (0.07 0.02 0.02) = 0.020% Peak 1213 (1.70, 8.97, 124.78 ppm): 15 chemical-shift based assignments, quality = 0.493, support = 3.93, residual support = 58.4: HG13 ILE 19 - HN ILE 19 6.667% * 61.1996% (0.63 5.14 90.57) = 61.200% kept HB2 GLN 16 - HN LEU 17 6.667% * 12.2175% (0.20 3.29 21.02) = 12.217% kept HG13 ILE 19 - HN THR 96 6.667% * 10.7330% (0.29 2.00 2.53) = 10.733% kept HG13 ILE 19 - HN LEU 17 6.667% * 7.6375% (0.24 1.67 1.73) = 7.637% kept HB2 GLN 16 - HN ILE 19 6.667% * 4.6715% (0.52 0.48 0.47) = 4.671% kept HB2 GLN 16 - HN THR 96 6.667% * 2.9336% (0.23 0.67 0.02) = 2.934% kept HD3 LYS+ 55 - HN ILE 19 6.667% * 0.1936% (0.52 0.02 0.02) = 0.194% HD3 LYS+ 55 - HN THR 96 6.667% * 0.0875% (0.23 0.02 0.02) = 0.087% HD3 LYS+ 55 - HN LEU 17 6.667% * 0.0744% (0.20 0.02 0.02) = 0.074% HB3 LYS+ 81 - HN ILE 19 6.667% * 0.0728% (0.19 0.02 0.02) = 0.073% HG3 ARG+ 84 - HN ILE 19 6.667% * 0.0644% (0.17 0.02 0.02) = 0.064% HB3 LYS+ 81 - HN THR 96 6.667% * 0.0329% (0.09 0.02 0.02) = 0.033% HG3 ARG+ 84 - HN THR 96 6.667% * 0.0291% (0.08 0.02 0.02) = 0.029% HB3 LYS+ 81 - HN LEU 17 6.667% * 0.0280% (0.07 0.02 0.02) = 0.028% HG3 ARG+ 84 - HN LEU 17 6.667% * 0.0248% (0.07 0.02 1.35) = 0.025% Peak 1214 (1.34, 8.97, 124.78 ppm): 18 chemical-shift based assignments, quality = 0.229, support = 4.05, residual support = 63.5: O HB3 LEU 17 - HN LEU 17 5.556% * 64.2110% (0.18 10.0 5.02 89.64) = 64.211% kept HB3 LYS+ 20 - HN ILE 19 5.556% * 18.7623% (0.30 1.0 3.54 30.28) = 18.762% kept HB3 LEU 17 - HN ILE 19 5.556% * 8.0712% (0.48 1.0 0.97 1.73) = 8.071% kept HB3 LYS+ 20 - HN THR 96 5.556% * 4.0883% (0.14 1.0 1.71 1.55) = 4.088% kept HB3 LYS+ 20 - HN LEU 17 5.556% * 1.9076% (0.12 1.0 0.94 0.77) = 1.908% kept HG3 ARG+ 22 - HN ILE 19 5.556% * 1.4012% (0.59 1.0 0.13 0.53) = 1.401% kept HG3 LYS+ 81 - HN ILE 19 5.556% * 0.8190% (0.59 1.0 0.08 0.02) = 0.819% QB ALA 11 - HN ILE 19 5.556% * 0.0955% (0.27 1.0 0.02 0.02) = 0.095% HG3 ARG+ 22 - HN THR 96 5.556% * 0.0941% (0.27 1.0 0.02 0.02) = 0.094% HG3 LYS+ 81 - HN THR 96 5.556% * 0.0941% (0.27 1.0 0.02 0.02) = 0.094% HG3 ARG+ 22 - HN LEU 17 5.556% * 0.0800% (0.23 1.0 0.02 0.13) = 0.080% HG3 LYS+ 81 - HN LEU 17 5.556% * 0.0800% (0.23 1.0 0.02 0.02) = 0.080% QG2 THR 46 - HN ILE 19 5.556% * 0.0765% (0.22 1.0 0.02 0.02) = 0.076% HB3 LEU 17 - HN THR 96 5.556% * 0.0755% (0.22 1.0 0.02 0.02) = 0.076% QB ALA 11 - HN THR 96 5.556% * 0.0431% (0.12 1.0 0.02 0.02) = 0.043% QB ALA 11 - HN LEU 17 5.556% * 0.0367% (0.10 1.0 0.02 0.02) = 0.037% QG2 THR 46 - HN THR 96 5.556% * 0.0345% (0.10 1.0 0.02 0.02) = 0.035% QG2 THR 46 - HN LEU 17 5.556% * 0.0294% (0.08 1.0 0.02 0.02) = 0.029% Peak 1215 (7.37, 6.64, 110.39 ppm): 1 chemical-shift based assignment, quality = 0.447, support = 1.73, residual support = 28.8: O T HE22 GLN 102 - HE21 GLN 102 100.000% *100.0000% (0.45 10.0 10.00 1.73 28.85) = 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): 15 chemical-shift based assignments, quality = 0.289, support = 1.62, residual support = 23.7: O HG3 GLN 102 - HE22 GLN 102 6.667% * 81.8072% (0.27 10.0 1.80 28.85) = 81.807% kept HG2 GLU- 64 - HE22 GLN 102 6.667% * 8.3547% (0.43 1.0 1.17 0.42) = 8.355% kept HG3 GLU- 64 - HE22 GLN 102 6.667% * 3.3948% (0.30 1.0 0.67 0.42) = 3.395% kept HG3 GLN 16 - HE22 GLN 102 6.667% * 2.9803% (0.44 1.0 0.41 0.17) = 2.980% kept HG3 GLU- 18 - HE22 GLN 102 6.667% * 1.9230% (0.33 1.0 0.35 1.09) = 1.923% kept HB3 GLU- 75 - HE22 GLN 102 6.667% * 0.9410% (0.06 1.0 0.90 0.66) = 0.941% HG3 MET 97 - HE22 GLN 102 6.667% * 0.1341% (0.40 1.0 0.02 0.02) = 0.134% HB2 GLU- 50 - HE22 GLN 102 6.667% * 0.1197% (0.36 1.0 0.02 0.02) = 0.120% HB3 PRO 35 - HE22 GLN 102 6.667% * 0.1149% (0.35 1.0 0.02 0.02) = 0.115% HB3 PRO 52 - HE22 GLN 102 6.667% * 0.0670% (0.20 1.0 0.02 0.02) = 0.067% HA1 GLY 58 - HE22 GLN 102 6.667% * 0.0540% (0.16 1.0 0.02 0.02) = 0.054% HB VAL 99 - HE22 GLN 102 6.667% * 0.0333% (0.10 1.0 0.02 0.02) = 0.033% HB3 PRO 104 - HE22 GLN 102 6.667% * 0.0296% (0.09 1.0 0.02 0.02) = 0.030% HG2 GLN 16 - HE22 GLN 102 6.667% * 0.0262% (0.08 1.0 0.02 0.17) = 0.026% HG3 GLU- 56 - HE22 GLN 102 6.667% * 0.0202% (0.06 1.0 0.02 0.02) = 0.020% Peak 1219 (2.07, 7.37, 110.39 ppm): 9 chemical-shift based assignments, quality = 0.405, support = 2.31, residual support = 16.7: HB ILE 101 - HE22 GLN 102 11.111% * 59.9961% (0.45 3.31 27.51) = 59.996% kept HB3 GLU- 75 - HE22 GLN 102 11.111% * 15.2770% (0.42 0.90 0.66) = 15.277% kept HB VAL 62 - HE22 GLN 102 11.111% * 12.7157% (0.43 0.73 0.28) = 12.716% kept HG3 GLU- 64 - HE22 GLN 102 11.111% * 6.5660% (0.24 0.67 0.42) = 6.566% kept HG2 GLU- 64 - HE22 GLN 102 11.111% * 4.2574% (0.09 1.17 0.42) = 4.257% kept HB VAL 65 - HE22 GLN 102 11.111% * 0.9421% (0.10 0.23 0.02) = 0.942% HB2 GLU- 45 - HE22 GLN 102 11.111% * 0.1018% (0.13 0.02 0.02) = 0.102% HB3 PRO 35 - HE22 GLN 102 11.111% * 0.0815% (0.10 0.02 0.02) = 0.081% HA1 GLY 58 - HE22 GLN 102 11.111% * 0.0625% (0.08 0.02 0.02) = 0.062% Peak 1220 (2.21, 6.64, 110.39 ppm): 15 chemical-shift based assignments, quality = 0.274, support = 1.58, residual support = 25.6: O HG3 GLN 102 - HE21 GLN 102 6.667% * 88.6117% (0.27 10.0 1.71 28.85) = 88.612% kept HG3 GLU- 64 - HE21 GLN 102 6.667% * 4.5019% (0.30 1.0 0.78 0.42) = 4.502% kept HG3 GLU- 18 - HE21 GLN 102 6.667% * 2.1938% (0.33 1.0 0.35 1.09) = 2.194% kept HG2 GLU- 64 - HE21 GLN 102 6.667% * 1.5575% (0.43 1.0 0.19 0.42) = 1.558% kept HB3 GLU- 75 - HE21 GLN 102 6.667% * 1.2612% (0.06 1.0 1.06 0.66) = 1.261% kept HB3 PRO 35 - HE21 GLN 102 6.667% * 1.1543% (0.35 1.0 0.18 0.02) = 1.154% kept HG3 GLN 16 - HE21 GLN 102 6.667% * 0.1672% (0.44 1.0 0.02 0.17) = 0.167% HG3 MET 97 - HE21 GLN 102 6.667% * 0.1530% (0.40 1.0 0.02 0.02) = 0.153% HB2 GLU- 50 - HE21 GLN 102 6.667% * 0.1366% (0.36 1.0 0.02 0.02) = 0.137% HB3 PRO 52 - HE21 GLN 102 6.667% * 0.0765% (0.20 1.0 0.02 0.02) = 0.076% HA1 GLY 58 - HE21 GLN 102 6.667% * 0.0616% (0.16 1.0 0.02 0.02) = 0.062% HB VAL 99 - HE21 GLN 102 6.667% * 0.0380% (0.10 1.0 0.02 0.02) = 0.038% HB3 PRO 104 - HE21 GLN 102 6.667% * 0.0338% (0.09 1.0 0.02 0.02) = 0.034% HG2 GLN 16 - HE21 GLN 102 6.667% * 0.0299% (0.08 1.0 0.02 0.17) = 0.030% HG3 GLU- 56 - HE21 GLN 102 6.667% * 0.0231% (0.06 1.0 0.02 0.02) = 0.023% Peak 1221 (2.07, 6.64, 110.39 ppm): 9 chemical-shift based assignments, quality = 0.413, support = 2.23, residual support = 15.9: HB ILE 101 - HE21 GLN 102 11.111% * 57.1708% (0.44 3.21 27.51) = 57.171% kept HB3 GLU- 75 - HE21 GLN 102 11.111% * 17.6092% (0.42 1.06 0.66) = 17.609% kept HB VAL 62 - HE21 GLN 102 11.111% * 16.1036% (0.42 0.95 0.28) = 16.104% kept HG3 GLU- 64 - HE21 GLN 102 11.111% * 7.4888% (0.24 0.78 0.42) = 7.489% kept HB3 PRO 35 - HE21 GLN 102 11.111% * 0.7040% (0.10 0.18 0.02) = 0.704% HG2 GLU- 64 - HE21 GLN 102 11.111% * 0.6826% (0.09 0.19 0.42) = 0.683% HB2 GLU- 45 - HE21 GLN 102 11.111% * 0.0998% (0.12 0.02 0.02) = 0.100% HB VAL 65 - HE21 GLN 102 11.111% * 0.0799% (0.10 0.02 0.02) = 0.080% HA1 GLY 58 - HE21 GLN 102 11.111% * 0.0613% (0.08 0.02 0.02) = 0.061% Peak 1222 (1.11, 6.64, 110.39 ppm): 3 chemical-shift based assignments, quality = 0.366, support = 0.819, residual support = 1.07: QG2 THR 61 - HE21 GLN 102 33.333% * 68.7149% (0.43 0.86 0.88) = 68.715% kept HG3 LYS+ 32 - HE21 GLN 102 33.333% * 30.1505% (0.22 0.75 1.55) = 30.150% kept QG2 THR 79 - HE21 GLN 102 33.333% * 1.1346% (0.31 0.02 0.02) = 1.135% kept Peak 1223 (1.12, 7.37, 110.39 ppm): 4 chemical-shift based assignments, quality = 0.361, support = 1.33, residual support = 1.15: HG3 LYS+ 32 - HE22 GLN 102 25.000% * 49.7308% (0.36 1.71 1.55) = 49.731% kept QG2 THR 61 - HE22 GLN 102 25.000% * 37.6323% (0.43 1.08 0.88) = 37.632% kept QB ALA 33 - HE22 GLN 102 25.000% * 6.3419% (0.13 0.63 0.76) = 6.342% kept QG2 THR 79 - HE22 GLN 102 25.000% * 6.2950% (0.17 0.46 0.02) = 6.295% 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 (0.00, 8.97, 124.78 ppm): 3 chemical-shift based assignments, quality = 0.4, support = 4.89, residual support = 65.4: QG2 ILE 19 - HN ILE 19 33.333% * 71.4888% (0.48 5.68 90.57) = 71.489% kept QG2 ILE 19 - HN THR 96 33.333% * 19.2433% (0.22 3.38 2.53) = 19.243% kept QG2 ILE 19 - HN LEU 17 33.333% * 9.2679% (0.18 1.92 1.73) = 9.268% kept Peak 1230 (6.87, 6.87, 112.96 ppm): 1 diagonal assignment: HD22 ASN 15 - HD22 ASN 15 (0.04) kept Peak 1231 (7.64, 6.87, 112.96 ppm): 4 chemical-shift based assignments, quality = 0.144, support = 0.147, residual support = 0.0641: T HD21 ASN 89 - HD22 ASN 15 25.000% * 52.3398% (0.20 10.00 0.02 0.10) = 52.340% kept HD21 ASN 57 - HD22 ASN 15 25.000% * 40.0595% (0.10 1.00 0.31 0.02) = 40.060% kept HN ASP- 25 - HD22 ASN 15 25.000% * 6.5626% (0.03 1.00 0.16 0.02) = 6.563% kept HN TYR 83 - HD22 ASN 15 25.000% * 1.0381% (0.04 1.00 0.02 0.02) = 1.038% kept Not enough support, support cutoff is 0.30 Peak unassigned. Peak 1232 (2.77, 6.87, 112.96 ppm): 2 chemical-shift based assignments, quality = 0.153, support = 1.01, residual support = 2.21: HA1 GLY 58 - HD22 ASN 15 50.000% * 88.5907% (0.17 1.05 2.48) = 88.591% kept HE3 LYS+ 20 - HD22 ASN 15 50.000% * 11.4093% (0.03 0.70 0.17) = 11.409% kept Not enough quality. Peak unassigned. Peak 1233 (0.83, 7.64, 112.96 ppm): 7 chemical-shift based assignments, quality = 0.643, support = 0.393, residual support = 1.8: QG2 VAL 13 - HD21 ASN 89 14.286% * 42.8678% (0.76 0.41 0.11) = 42.868% kept QD2 LEU 90 - HD21 ASN 89 14.286% * 36.6108% (0.49 0.55 4.78) = 36.611% kept QD2 LEU 17 - HD21 ASN 89 14.286% * 9.0289% (0.61 0.11 0.02) = 9.029% kept QD2 LEU 67 - HD21 ASN 89 14.286% * 3.7971% (0.25 0.11 0.02) = 3.797% kept QG1 VAL 13 - HD21 ASN 89 14.286% * 2.7070% (0.99 0.02 0.11) = 2.707% kept QD1 ILE 29 - HD21 ASN 89 14.286% * 2.7070% (0.99 0.02 0.02) = 2.707% kept QG1 VAL 94 - HD21 ASN 89 14.286% * 2.2813% (0.84 0.02 0.02) = 2.281% kept Peak 1234 (0.83, 6.87, 112.96 ppm): 7 chemical-shift based assignments, quality = 0.151, support = 0.654, residual support = 0.952: QD1 ILE 29 - HD22 ASN 15 14.286% * 40.7881% (0.18 0.78 1.01) = 40.788% kept QG1 VAL 94 - HD22 ASN 15 14.286% * 27.5512% (0.16 0.63 0.73) = 27.551% kept QD2 LEU 90 - HD22 ASN 15 14.286% * 19.1608% (0.09 0.75 0.14) = 19.161% kept QD2 LEU 17 - HD22 ASN 15 14.286% * 7.0929% (0.11 0.22 0.29) = 7.093% kept QG1 VAL 13 - HD22 ASN 15 14.286% * 4.3400% (0.18 0.08 6.77) = 4.340% kept QG2 VAL 13 - HD22 ASN 15 14.286% * 0.8045% (0.14 0.02 6.77) = 0.805% QD2 LEU 67 - HD22 ASN 15 14.286% * 0.2625% (0.05 0.02 0.02) = 0.263% Not enough quality. Peak unassigned. Peak 1235 (1.58, 8.60, 125.48 ppm): 11 chemical-shift based assignments, quality = 0.888, support = 4.09, residual support = 27.3: HB ILE 19 - HN LYS+ 20 9.091% * 89.9148% (0.92 4.53 30.28) = 89.915% kept HG LEU 17 - HN LYS+ 20 9.091% * 4.4311% (0.90 0.23 0.77) = 4.431% kept HD3 LYS+ 60 - HN LYS+ 20 9.091% * 1.4050% (0.83 0.08 0.12) = 1.405% kept HB3 LEU 90 - HN LYS+ 20 9.091% * 1.2113% (0.41 0.14 0.02) = 1.211% kept QG2 THR 24 - HN LYS+ 20 9.091% * 1.0436% (0.22 0.22 0.02) = 1.044% kept HD3 LYS+ 32 - HN LYS+ 20 9.091% * 0.8011% (0.25 0.15 0.18) = 0.801% HD3 LYS+ 81 - HN LYS+ 20 9.091% * 0.3289% (0.76 0.02 0.02) = 0.329% HB3 LYS+ 32 - HN LYS+ 20 9.091% * 0.3125% (0.73 0.02 0.18) = 0.313% HG12 ILE 29 - HN LYS+ 20 9.091% * 0.2095% (0.49 0.02 0.29) = 0.209% QB ALA 42 - HN LYS+ 20 9.091% * 0.2095% (0.49 0.02 0.02) = 0.209% HG13 ILE 29 - HN LYS+ 20 9.091% * 0.1328% (0.31 0.02 0.29) = 0.133% Peaks: selected : 1134 with diagonal assignment : 107 without assignment possibility : 298 with one assignment possibility : 48 with multiple assignment possibilities : 681 with given assignment possibilities : 0 with unique volume contribution : 146 with multiple volume contributions : 583 eliminated by violation filter : 0 Peaks: selected : 1134 without assignment : 372 with assignment : 762 with unique assignment : 233 with multiple assignment : 529 with reference assignment : 651 with identical reference assignment : 195 with compatible reference assignment : 298 with incompatible reference assignment : 125 with additional reference assignment : 33 with additional assignment : 144 Atoms with eliminated volume contribution > 2.5: HN ALA 11 5.0 HN HIS+ 14 4.0 HA ASN 15 4.0 HD22 ASN 15 3.0 HN ARG+ 22 3.0 HN SER 27 5.0 HN SER 41 2.6 HN VAL 99 2.9 HN LYS+ 108 3.0