- 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3 (9.05, 1.10, 22.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 4 (8.81, -0.03, 22.36 ppm): 4 chemical-shift based assignments, quality = 0.329, support = 0.704, residual support = 0.913: HN ASN 57 - QD1 LEU 74 25.000% * 48.1342% (0.37 0.86 1.33) = 48.134% kept HN LYS+ 32 - QD1 LEU 74 25.000% * 30.0221% (0.35 0.56 0.37) = 30.022% kept HN LYS+ 60 - QD1 LEU 74 25.000% * 13.8084% (0.29 0.32 0.14) = 13.808% kept HN SER 69 - QD1 LEU 74 25.000% * 8.0353% (0.06 0.93 1.77) = 8.035% kept Peak 5 (8.60, 1.38, 22.40 ppm): 4 chemical-shift based assignments, quality = 0.577, support = 1.4, residual support = 2.71: HN THR 39 - QG2 THR 39 25.000% * 53.6058% (0.56 2.02 4.95) = 53.606% kept HN VAL 80 - QG2 THR 39 25.000% * 20.1275% (0.52 0.82 0.18) = 20.127% kept HN VAL 73 - QG2 THR 39 25.000% * 14.6201% (0.37 0.83 0.11) = 14.620% kept HN LYS+ 20 - QG2 THR 39 25.000% * 11.6466% (0.99 0.25 0.02) = 11.647% kept Peak 6 (8.47, -0.03, 22.34 ppm): 5 chemical-shift based assignments, quality = 0.273, support = 3.01, residual support = 37.3: HN LEU 74 - QD1 LEU 74 20.000% * 57.6182% (0.21 4.76 64.26) = 57.618% kept HN LYS+ 113 - QD1 LEU 74 20.000% * 17.5106% (0.36 0.85 0.30) = 17.511% kept HN GLY 92 - QD1 LEU 74 20.000% * 12.2976% (0.39 0.55 0.10) = 12.298% kept HN GLU- 18 - QD1 LEU 74 20.000% * 6.8055% (0.24 0.49 2.48) = 6.805% kept HN GLU- 107 - QD1 LEU 74 20.000% * 5.7681% (0.39 0.26 0.02) = 5.768% kept 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 9 (7.21, 0.58, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 10 (7.07, -0.03, 22.30 ppm): 2 chemical-shift based assignments, quality = 0.294, support = 1.97, residual support = 11.5: T QD TYR 83 - QD1 LEU 74 50.000% * 99.9685% (0.29 10.00 1.97 11.45) = 99.968% kept QE PHE 21 - QD1 LEU 74 50.000% * 0.0315% (0.09 1.00 0.02 2.42) = 0.032% Peak 11 (7.02, 0.11, 22.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 12 (6.90, 0.11, 22.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 13 (6.73, 0.58, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 14 (4.84, 4.05, 63.83 ppm): 6 chemical-shift based assignments, quality = 0.362, support = 0.131, residual support = 0.02: HA MET 97 - HB2 SER 49 16.667% * 59.1862% (0.46 0.17 0.02) = 59.186% kept HA MET 97 - HB3 SER 77 16.667% * 16.9757% (0.22 0.10 0.02) = 16.976% kept HA THR 96 - HB3 SER 77 16.667% * 13.7563% (0.17 0.10 0.02) = 13.756% kept HA THR 96 - HB2 SER 49 16.667% * 5.7559% (0.37 0.02 0.02) = 5.756% kept HA GLU- 107 - HB2 SER 49 16.667% * 2.9486% (0.19 0.02 0.02) = 2.949% kept HA GLU- 107 - HB3 SER 77 16.667% * 1.3773% (0.09 0.02 0.02) = 1.377% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 15 (4.83, 3.86, 63.83 ppm): 9 chemical-shift based assignments, quality = 0.284, support = 0.044, residual support = 0.02: HA MET 97 - HA VAL 125 11.111% * 28.5471% (0.60 0.02 0.02) = 28.547% kept HA MET 97 - HB3 SER 77 11.111% * 21.9913% (0.09 0.10 0.02) = 21.991% kept HA GLU- 107 - HA VAL 125 11.111% * 15.3227% (0.32 0.02 0.02) = 15.323% kept HA THR 96 - HA VAL 125 11.111% * 9.5025% (0.20 0.02 0.02) = 9.503% kept HA MET 97 - HB3 SER 88 11.111% * 7.9776% (0.17 0.02 0.02) = 7.978% kept HA THR 96 - HB3 SER 77 11.111% * 7.3917% (0.03 0.10 0.02) = 7.392% kept HA GLU- 107 - HB3 SER 88 11.111% * 4.2820% (0.09 0.02 0.02) = 4.282% kept HA THR 96 - HB3 SER 88 11.111% * 2.6555% (0.06 0.02 0.02) = 2.656% kept HA GLU- 107 - HB3 SER 77 11.111% * 2.3295% (0.05 0.02 0.02) = 2.329% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 16 (4.79, 1.38, 22.41 ppm): 4 chemical-shift based assignments, quality = 0.905, support = 0.838, residual support = 0.599: HA PRO 116 - QG2 THR 39 25.000% * 50.7833% (0.93 1.07 1.06) = 50.783% kept HA ASP- 115 - QG2 THR 39 25.000% * 31.1799% (0.82 0.74 0.18) = 31.180% kept HA LYS+ 113 - QG2 THR 39 25.000% * 17.8133% (0.98 0.36 0.02) = 17.813% kept HA GLU- 107 - QG2 THR 39 25.000% * 0.2235% (0.22 0.02 0.02) = 0.224% Peak 17 (4.80, 0.58, 22.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 19 (4.52, 1.38, 22.37 ppm): 16 chemical-shift based assignments, quality = 0.186, support = 1.6, residual support = 25.6: O HA LYS+ 78 - HG2 LYS+ 78 6.250% * 83.8217% (0.16 10.0 1.73 29.38) = 83.822% kept HA THR 79 - QG2 THR 39 6.250% * 6.1588% (0.28 1.0 0.73 0.23) = 6.159% kept HA LYS+ 78 - QG2 THR 39 6.250% * 3.5071% (0.96 1.0 0.12 0.02) = 3.507% kept HA THR 79 - HG2 LYS+ 78 6.250% * 3.3656% (0.05 1.0 2.40 22.77) = 3.366% kept HA SER 77 - HG2 LYS+ 78 6.250% * 1.4505% (0.03 1.0 1.46 10.69) = 1.451% kept HA ALA 103 - QG2 THR 39 6.250% * 0.4418% (0.72 1.0 0.02 0.02) = 0.442% HB THR 46 - QG2 THR 39 6.250% * 0.3201% (0.52 1.0 0.02 0.02) = 0.320% HA LYS+ 55 - QG2 THR 39 6.250% * 0.3201% (0.52 1.0 0.02 0.02) = 0.320% HA LEU 17 - QG2 THR 39 6.250% * 0.1878% (0.31 1.0 0.02 0.02) = 0.188% HA SER 77 - QG2 THR 39 6.250% * 0.1204% (0.20 1.0 0.02 0.02) = 0.120% HA CYS 123 - QG2 THR 39 6.250% * 0.0823% (0.13 1.0 0.02 0.02) = 0.082% HA ALA 103 - HG2 LYS+ 78 6.250% * 0.0731% (0.12 1.0 0.02 0.02) = 0.073% HA LYS+ 55 - HG2 LYS+ 78 6.250% * 0.0530% (0.09 1.0 0.02 0.02) = 0.053% HB THR 46 - HG2 LYS+ 78 6.250% * 0.0530% (0.09 1.0 0.02 0.02) = 0.053% HA LEU 17 - HG2 LYS+ 78 6.250% * 0.0311% (0.05 1.0 0.02 0.02) = 0.031% HA CYS 123 - HG2 LYS+ 78 6.250% * 0.0136% (0.02 1.0 0.02 0.02) = 0.014% 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): 40 chemical-shift based assignments, quality = 0.139, support = 0.68, residual support = 4.68: O T HA SER 88 - HB3 SER 88 2.500% * 35.9372% (0.03 10.0 10.00 1.45 13.00) = 35.937% kept T HA SER 88 - HB3 SER 77 2.500% * 29.1614% (0.18 1.0 10.00 0.32 0.02) = 29.161% kept HA ALA 37 - HB3 SER 77 2.500% * 8.3166% (0.31 1.0 1.00 0.51 0.02) = 8.317% kept HA SER 88 - HB2 SER 77 2.500% * 6.5265% (0.39 1.0 1.00 0.32 0.02) = 6.527% kept T HA SER 88 - HA VAL 125 2.500% * 4.2196% (0.40 1.0 10.00 0.02 0.02) = 4.220% kept HA THR 38 - HB3 SER 77 2.500% * 2.4878% (0.29 1.0 1.00 0.16 0.02) = 2.488% kept HA ALA 37 - HA VAL 125 2.500% * 0.7453% (0.71 1.0 1.00 0.02 0.02) = 0.745% HA ASN 57 - HA VAL 125 2.500% * 0.7437% (0.71 1.0 1.00 0.02 0.02) = 0.744% HA LYS+ 60 - HA VAL 125 2.500% * 0.7387% (0.70 1.0 1.00 0.02 0.02) = 0.739% HA ALA 37 - HB2 SER 77 2.500% * 0.7270% (0.69 1.0 1.00 0.02 0.02) = 0.727% HA ASN 57 - HB2 SER 77 2.500% * 0.7253% (0.69 1.0 1.00 0.02 0.02) = 0.725% HA LYS+ 60 - HB2 SER 77 2.500% * 0.7205% (0.69 1.0 1.00 0.02 0.02) = 0.721% HA THR 38 - HA VAL 125 2.500% * 0.7050% (0.67 1.0 1.00 0.02 0.02) = 0.705% HA THR 38 - HB2 SER 77 2.500% * 0.6877% (0.65 1.0 1.00 0.02 0.02) = 0.688% HA THR 95 - HB3 SER 77 2.500% * 0.6766% (0.13 1.0 1.00 0.10 0.02) = 0.677% HA TRP 51 - HA VAL 125 2.500% * 0.6684% (0.64 1.0 1.00 0.02 0.02) = 0.668% HA TRP 51 - HB2 SER 77 2.500% * 0.6520% (0.62 1.0 1.00 0.02 0.02) = 0.652% HA2 GLY 26 - HB3 SER 88 2.500% * 0.5242% (0.04 1.0 1.00 0.24 0.02) = 0.524% HA2 GLY 26 - HA VAL 125 2.500% * 0.5120% (0.49 1.0 1.00 0.02 0.02) = 0.512% HA2 GLY 26 - HB2 SER 77 2.500% * 0.4993% (0.48 1.0 1.00 0.02 0.02) = 0.499% HA LYS+ 117 - HA VAL 125 2.500% * 0.4220% (0.40 1.0 1.00 0.02 0.02) = 0.422% HA LYS+ 117 - HB2 SER 77 2.500% * 0.4116% (0.39 1.0 1.00 0.02 0.02) = 0.412% HA ASN 57 - HB3 SER 77 2.500% * 0.3241% (0.31 1.0 1.00 0.02 0.02) = 0.324% HA LYS+ 60 - HB3 SER 77 2.500% * 0.3219% (0.31 1.0 1.00 0.02 0.02) = 0.322% HA THR 95 - HA VAL 125 2.500% * 0.3064% (0.29 1.0 1.00 0.02 0.02) = 0.306% HA THR 95 - HB2 SER 77 2.500% * 0.2989% (0.28 1.0 1.00 0.02 0.02) = 0.299% HA TRP 51 - HB3 SER 77 2.500% * 0.2913% (0.28 1.0 1.00 0.02 0.02) = 0.291% HA1 GLY 26 - HB3 SER 88 2.500% * 0.2603% (0.02 1.0 1.00 0.24 0.02) = 0.260% HA1 GLY 26 - HA VAL 125 2.500% * 0.2542% (0.24 1.0 1.00 0.02 0.02) = 0.254% HA1 GLY 26 - HB2 SER 77 2.500% * 0.2480% (0.24 1.0 1.00 0.02 0.02) = 0.248% HA2 GLY 26 - HB3 SER 77 2.500% * 0.2231% (0.21 1.0 1.00 0.02 0.02) = 0.223% HA LYS+ 117 - HB3 SER 77 2.500% * 0.1839% (0.18 1.0 1.00 0.02 0.02) = 0.184% HA1 GLY 26 - HB3 SER 77 2.500% * 0.1108% (0.11 1.0 1.00 0.02 0.02) = 0.111% HA ALA 37 - HB3 SER 88 2.500% * 0.0635% (0.06 1.0 1.00 0.02 0.02) = 0.063% HA ASN 57 - HB3 SER 88 2.500% * 0.0633% (0.06 1.0 1.00 0.02 0.02) = 0.063% HA LYS+ 60 - HB3 SER 88 2.500% * 0.0629% (0.06 1.0 1.00 0.02 0.02) = 0.063% HA THR 38 - HB3 SER 88 2.500% * 0.0600% (0.06 1.0 1.00 0.02 0.02) = 0.060% HA TRP 51 - HB3 SER 88 2.500% * 0.0569% (0.05 1.0 1.00 0.02 0.02) = 0.057% HA LYS+ 117 - HB3 SER 88 2.500% * 0.0359% (0.03 1.0 1.00 0.02 0.02) = 0.036% HA THR 95 - HB3 SER 88 2.500% * 0.0261% (0.02 1.0 1.00 0.02 0.02) = 0.026% 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): 2 diagonal assignments: HB2 SER 49 - HB2 SER 49 (0.65) kept HB3 SER 77 - HB3 SER 77 (0.10) kept Peak 29 (4.02, 1.38, 22.37 ppm): 10 chemical-shift based assignments, quality = 0.585, support = 1.18, residual support = 5.45: O HB THR 39 - QG2 THR 39 10.000% * 66.3540% (0.41 10.0 1.00 1.00 4.95) = 66.354% kept HB THR 38 - QG2 THR 39 10.000% * 28.6459% (0.99 1.0 1.00 1.79 7.57) = 28.646% kept T HA LYS+ 44 - QG2 THR 39 10.000% * 3.1233% (0.96 1.0 10.00 0.02 0.02) = 3.123% kept HB3 SER 77 - HG2 LYS+ 78 10.000% * 0.9432% (0.13 1.0 1.00 0.45 10.69) = 0.943% T HA LYS+ 44 - HG2 LYS+ 78 10.000% * 0.5234% (0.16 1.0 10.00 0.02 0.02) = 0.523% HB3 SER 77 - QG2 THR 39 10.000% * 0.2503% (0.77 1.0 1.00 0.02 0.02) = 0.250% HB3 SER 85 - QG2 THR 39 10.000% * 0.0719% (0.22 1.0 1.00 0.02 0.02) = 0.072% HB THR 38 - HG2 LYS+ 78 10.000% * 0.0536% (0.17 1.0 1.00 0.02 0.02) = 0.054% HB THR 39 - HG2 LYS+ 78 10.000% * 0.0222% (0.07 1.0 1.00 0.02 0.02) = 0.022% HB3 SER 85 - HG2 LYS+ 78 10.000% * 0.0120% (0.04 1.0 1.00 0.02 0.02) = 0.012% Peak 30 (3.95, -0.03, 22.35 ppm): 9 chemical-shift based assignments, quality = 0.259, support = 1.82, residual support = 27.5: HA LEU 74 - QD1 LEU 74 11.111% * 39.1262% (0.18 3.52 64.26) = 39.126% kept HA LYS+ 44 - QD1 LEU 74 11.111% * 16.8015% (0.38 0.71 4.29) = 16.802% kept HA VAL 122 - QD1 LEU 74 11.111% * 15.1187% (0.28 0.89 5.46) = 15.119% kept HB3 CYS 121 - QD1 LEU 74 11.111% * 12.9765% (0.23 0.92 5.25) = 12.976% kept HA1 GLY 114 - QD1 LEU 74 11.111% * 11.9545% (0.40 0.48 0.02) = 11.954% kept HA ILE 48 - QD1 LEU 74 11.111% * 1.8553% (0.07 0.43 5.19) = 1.855% kept HA ALA 93 - QD1 LEU 74 11.111% * 1.5558% (0.24 0.10 0.02) = 1.556% kept HB3 SER 77 - QD1 LEU 74 11.111% * 0.4252% (0.34 0.02 0.02) = 0.425% HB THR 96 - QD1 LEU 74 11.111% * 0.1863% (0.15 0.02 0.91) = 0.186% Peak 33 (3.88, 4.05, 63.82 ppm): 1 diagonal assignment: HB3 SER 77 - HB3 SER 77 (0.08) kept Peak 34 (3.86, 3.85, 63.84 ppm): 2 diagonal assignments: HA VAL 125 - HA VAL 125 (0.24) kept HB3 SER 88 - HB3 SER 88 (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): 16 chemical-shift based assignments, quality = 0.286, support = 0.223, residual support = 0.0197: HA ILE 48 - HB2 SER 77 6.250% * 48.7018% (0.14 0.44 0.02) = 48.702% kept HA ILE 48 - HA VAL 125 6.250% * 11.6789% (0.72 0.02 0.02) = 11.679% kept HD2 PRO 104 - HA VAL 125 6.250% * 10.7314% (0.66 0.02 0.02) = 10.731% kept HD2 PRO 31 - HA VAL 125 6.250% * 7.7753% (0.48 0.02 0.02) = 7.775% kept HA ILE 48 - HB3 SER 88 6.250% * 3.0452% (0.19 0.02 0.02) = 3.045% kept HD2 PRO 104 - HB3 SER 88 6.250% * 2.7981% (0.17 0.02 0.02) = 2.798% kept HD2 PRO 112 - HA VAL 125 6.250% * 2.5882% (0.16 0.02 0.02) = 2.588% kept HA ILE 48 - HB3 SER 77 6.250% * 2.1232% (0.13 0.02 0.02) = 2.123% kept HD2 PRO 104 - HB2 SER 77 6.250% * 2.0454% (0.13 0.02 0.02) = 2.045% kept HD2 PRO 31 - HB3 SER 88 6.250% * 2.0274% (0.12 0.02 0.02) = 2.027% kept HD2 PRO 104 - HB3 SER 77 6.250% * 1.9509% (0.12 0.02 0.02) = 1.951% kept HD2 PRO 31 - HB2 SER 77 6.250% * 1.4820% (0.09 0.02 0.02) = 1.482% kept HD2 PRO 31 - HB3 SER 77 6.250% * 1.4135% (0.09 0.02 0.02) = 1.414% kept HD2 PRO 112 - HB3 SER 88 6.250% * 0.6749% (0.04 0.02 0.02) = 0.675% HD2 PRO 112 - HB2 SER 77 6.250% * 0.4933% (0.03 0.02 0.02) = 0.493% HD2 PRO 112 - HB3 SER 77 6.250% * 0.4705% (0.03 0.02 0.02) = 0.471% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 39 (3.52, 0.11, 22.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 40 (3.53, -0.03, 22.30 ppm): 1 chemical-shift based assignment, quality = 0.209, support = 0.434, residual support = 5.19: HA ILE 48 - QD1 LEU 74 100.000% *100.0000% (0.21 0.43 5.19) = 100.000% kept Peak 41 (3.08, 0.11, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 43 (2.26, 0.95, 22.31 ppm): 12 chemical-shift based assignments, quality = 0.529, support = 0.465, residual support = 0.346: HB VAL 80 - QG2 VAL 62 8.333% * 50.5128% (0.73 0.57 0.52) = 50.513% kept HA1 GLY 58 - QG2 VAL 62 8.333% * 19.5448% (0.36 0.44 0.40) = 19.545% kept HG2 GLU- 56 - QG2 VAL 62 8.333% * 19.4037% (0.41 0.39 0.02) = 19.404% kept HA1 GLY 58 - QG2 VAL 99 8.333% * 3.7373% (0.14 0.22 0.02) = 3.737% kept HB VAL 80 - QG2 VAL 73 8.333% * 3.4223% (0.14 0.20 0.02) = 3.422% kept HA1 GLY 58 - QG2 VAL 73 8.333% * 1.3910% (0.07 0.16 0.02) = 1.391% kept HB VAL 80 - QG2 VAL 99 8.333% * 0.6883% (0.28 0.02 0.02) = 0.688% HG3 GLU- 75 - QG2 VAL 62 8.333% * 0.4575% (0.19 0.02 0.02) = 0.457% HG2 GLU- 56 - QG2 VAL 99 8.333% * 0.3863% (0.16 0.02 0.02) = 0.386% HG2 GLU- 56 - QG2 VAL 73 8.333% * 0.1917% (0.08 0.02 0.13) = 0.192% HG3 GLU- 75 - QG2 VAL 99 8.333% * 0.1767% (0.07 0.02 0.02) = 0.177% HG3 GLU- 75 - QG2 VAL 73 8.333% * 0.0877% (0.04 0.02 0.32) = 0.088% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 44 (2.19, 0.58, 22.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 45 (2.15, 0.11, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 46 (1.92, 0.58, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 47 (1.86, -0.03, 22.32 ppm): 8 chemical-shift based assignments, quality = 0.211, support = 0.565, residual support = 0.995: HB2 LYS+ 66 - QD1 LEU 74 12.500% * 35.5917% (0.21 0.93 1.23) = 35.592% kept HB3 ARG+ 84 - QD1 LEU 74 12.500% * 17.0582% (0.14 0.67 2.19) = 17.058% kept HB2 PRO 104 - QD1 LEU 74 12.500% * 15.7625% (0.35 0.25 1.08) = 15.762% kept HB3 PRO 59 - QD1 LEU 74 12.500% * 10.0016% (0.15 0.36 0.02) = 10.002% kept HB3 LYS+ 72 - QD1 LEU 74 12.500% * 6.7742% (0.34 0.11 0.11) = 6.774% kept HB2 PRO 59 - QD1 LEU 74 12.500% * 6.0663% (0.09 0.36 0.02) = 6.066% kept HG3 LYS+ 120 - QD1 LEU 74 12.500% * 5.9600% (0.13 0.26 0.02) = 5.960% kept HG3 PRO 112 - QD1 LEU 74 12.500% * 2.7855% (0.15 0.10 0.02) = 2.785% kept Peak 50 (1.74, 0.95, 22.34 ppm): 12 chemical-shift based assignments, quality = 0.359, support = 0.345, residual support = 7.76: HB ILE 48 - QG2 VAL 62 8.333% * 71.4281% (0.33 0.47 10.85) = 71.428% kept HB3 GLU- 50 - QG2 VAL 62 8.333% * 6.6943% (0.73 0.02 0.02) = 6.694% kept HB VAL 94 - QG2 VAL 62 8.333% * 5.1846% (0.57 0.02 0.02) = 5.185% kept HB2 ARG+ 84 - QG2 VAL 62 8.333% * 4.2166% (0.46 0.02 0.23) = 4.217% kept HB3 GLU- 50 - QG2 VAL 99 8.333% * 3.0440% (0.33 0.02 0.02) = 3.044% kept HB VAL 94 - QG2 VAL 99 8.333% * 2.3575% (0.26 0.02 0.02) = 2.357% kept HB2 ARG+ 84 - QG2 VAL 99 8.333% * 1.9173% (0.21 0.02 0.02) = 1.917% kept HB ILE 48 - QG2 VAL 99 8.333% * 1.3677% (0.15 0.02 0.02) = 1.368% kept HB3 GLU- 50 - QG2 VAL 73 8.333% * 1.3280% (0.15 0.02 0.02) = 1.328% kept HB VAL 94 - QG2 VAL 73 8.333% * 1.0285% (0.11 0.02 0.02) = 1.029% kept HB2 ARG+ 84 - QG2 VAL 73 8.333% * 0.8365% (0.09 0.02 0.02) = 0.837% HB ILE 48 - QG2 VAL 73 8.333% * 0.5967% (0.07 0.02 0.02) = 0.597% Peak 51 (1.68, -0.03, 22.32 ppm): 4 chemical-shift based assignments, quality = 0.209, support = 1.41, residual support = 1.61: HG3 ARG+ 84 - QD1 LEU 74 25.000% * 48.9522% (0.14 2.12 2.19) = 48.952% kept HB3 MET 126 - QD1 LEU 74 25.000% * 40.8337% (0.32 0.75 1.13) = 40.834% kept HB3 MET 97 - QD1 LEU 74 25.000% * 8.9081% (0.07 0.75 0.91) = 8.908% kept HD3 LYS+ 55 - QD1 LEU 74 25.000% * 1.3060% (0.39 0.02 0.02) = 1.306% kept Peak 52 (1.63, 0.58, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 6 chemical-shift based assignments, quality = 0.124, support = 3.47, residual support = 54.0: O HG LEU 74 - QD1 LEU 74 16.667% * 74.5582% (0.09 10.0 3.77 64.26) = 74.558% kept HB3 LEU 67 - QD1 LEU 74 16.667% * 24.8414% (0.23 1.0 2.65 24.34) = 24.841% kept QB ALA 70 - QD1 LEU 74 16.667% * 0.3091% (0.37 1.0 0.02 0.02) = 0.309% HD3 LYS+ 108 - QD1 LEU 74 16.667% * 0.1271% (0.15 1.0 0.02 0.02) = 0.127% HB2 LYS+ 72 - QD1 LEU 74 16.667% * 0.0954% (0.12 1.0 0.02 0.11) = 0.095% HG3 LYS+ 72 - QD1 LEU 74 16.667% * 0.0688% (0.08 1.0 0.02 0.11) = 0.069% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 10 chemical-shift based assignments, quality = 0.823, support = 0.877, residual support = 3.39: HG LEU 74 - QG2 THR 39 10.000% * 64.9561% (0.99 1.03 0.72) = 64.956% kept QG2 THR 79 - QG2 THR 39 10.000% * 14.2881% (0.94 0.24 0.23) = 14.288% kept QG2 THR 79 - HG2 LYS+ 78 10.000% * 12.6914% (0.15 1.29 22.77) = 12.691% kept HG LEU 74 - HG2 LYS+ 78 10.000% * 2.7484% (0.16 0.27 0.02) = 2.748% kept QG2 THR 95 - QG2 THR 39 10.000% * 2.6412% (0.45 0.09 0.02) = 2.641% kept QG2 THR 61 - QG2 THR 39 10.000% * 1.1734% (0.92 0.02 0.02) = 1.173% kept QG2 THR 95 - HG2 LYS+ 78 10.000% * 0.7010% (0.07 0.15 0.02) = 0.701% QG2 THR 96 - QG2 THR 39 10.000% * 0.5226% (0.41 0.02 0.02) = 0.523% QG2 THR 61 - HG2 LYS+ 78 10.000% * 0.1923% (0.15 0.02 0.02) = 0.192% QG2 THR 96 - HG2 LYS+ 78 10.000% * 0.0856% (0.07 0.02 0.02) = 0.086% Peak 66 (0.95, 0.59, 22.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 67 (0.92, 3.87, 63.78 ppm): 42 chemical-shift based assignments, quality = 0.548, support = 0.943, residual support = 1.68: HG LEU 74 - HA VAL 125 2.381% * 64.9669% (0.54 1.38 2.58) = 64.967% kept QG2 VAL 73 - HA VAL 125 2.381% * 14.0502% (0.86 0.19 0.02) = 14.050% kept QG1 VAL 47 - HA VAL 125 2.381% * 4.3224% (0.54 0.09 0.02) = 4.322% kept QG2 VAL 105 - HA VAL 125 2.381% * 3.8676% (0.50 0.09 0.02) = 3.868% kept QG1 VAL 105 - HA VAL 125 2.381% * 3.0627% (0.40 0.09 0.02) = 3.063% kept QD1 LEU 17 - HB3 SER 77 2.381% * 1.8053% (0.05 0.38 0.02) = 1.805% kept HG13 ILE 68 - HA VAL 125 2.381% * 1.1863% (0.68 0.02 0.02) = 1.186% kept QG2 VAL 87 - HA VAL 125 2.381% * 1.1272% (0.65 0.02 0.02) = 1.127% kept QD1 LEU 67 - HA VAL 125 2.381% * 1.0663% (0.61 0.02 0.02) = 1.066% kept QD1 LEU 17 - HA VAL 125 2.381% * 0.7556% (0.43 0.02 0.02) = 0.756% QG1 VAL 80 - HA VAL 125 2.381% * 0.3456% (0.20 0.02 0.02) = 0.346% HG12 ILE 29 - HA VAL 125 2.381% * 0.3072% (0.18 0.02 0.02) = 0.307% QG2 VAL 62 - HA VAL 125 2.381% * 0.2719% (0.16 0.02 0.02) = 0.272% HG12 ILE 68 - HA VAL 125 2.381% * 0.2101% (0.12 0.02 0.02) = 0.210% QG2 ILE 29 - HA VAL 125 2.381% * 0.2101% (0.12 0.02 0.02) = 0.210% QG2 VAL 73 - HB3 SER 77 2.381% * 0.1890% (0.11 0.02 0.02) = 0.189% QG2 VAL 73 - HB2 SER 77 2.381% * 0.1756% (0.10 0.02 0.02) = 0.176% HG13 ILE 68 - HB3 SER 77 2.381% * 0.1497% (0.09 0.02 0.02) = 0.150% QG2 VAL 87 - HB3 SER 77 2.381% * 0.1422% (0.08 0.02 0.02) = 0.142% HG13 ILE 68 - HB2 SER 77 2.381% * 0.1391% (0.08 0.02 0.02) = 0.139% QD1 LEU 67 - HB3 SER 77 2.381% * 0.1346% (0.08 0.02 0.02) = 0.135% QG2 VAL 87 - HB2 SER 77 2.381% * 0.1322% (0.08 0.02 0.02) = 0.132% QD1 LEU 67 - HB2 SER 77 2.381% * 0.1250% (0.07 0.02 0.02) = 0.125% QG1 VAL 47 - HB3 SER 77 2.381% * 0.1188% (0.07 0.02 0.02) = 0.119% HG LEU 74 - HB3 SER 77 2.381% * 0.1185% (0.07 0.02 0.02) = 0.119% QG2 VAL 105 - HB3 SER 77 2.381% * 0.1109% (0.06 0.02 0.02) = 0.111% QG1 VAL 47 - HB2 SER 77 2.381% * 0.1104% (0.06 0.02 0.02) = 0.110% HG LEU 74 - HB2 SER 77 2.381% * 0.1101% (0.06 0.02 0.02) = 0.110% QG2 VAL 105 - HB2 SER 77 2.381% * 0.1030% (0.06 0.02 0.02) = 0.103% QD1 LEU 17 - HB2 SER 77 2.381% * 0.0886% (0.05 0.02 0.02) = 0.089% QG1 VAL 105 - HB3 SER 77 2.381% * 0.0878% (0.05 0.02 0.02) = 0.088% QG1 VAL 105 - HB2 SER 77 2.381% * 0.0816% (0.05 0.02 0.02) = 0.082% QG1 VAL 80 - HB3 SER 77 2.381% * 0.0436% (0.02 0.02 0.02) = 0.044% QG1 VAL 80 - HB2 SER 77 2.381% * 0.0405% (0.02 0.02 0.02) = 0.041% HG12 ILE 29 - HB3 SER 77 2.381% * 0.0388% (0.02 0.02 0.02) = 0.039% HG12 ILE 29 - HB2 SER 77 2.381% * 0.0360% (0.02 0.02 0.02) = 0.036% QG2 VAL 62 - HB3 SER 77 2.381% * 0.0343% (0.02 0.02 0.02) = 0.034% QG2 VAL 62 - HB2 SER 77 2.381% * 0.0319% (0.02 0.02 0.02) = 0.032% HG12 ILE 68 - HB3 SER 77 2.381% * 0.0265% (0.02 0.02 0.02) = 0.027% QG2 ILE 29 - HB3 SER 77 2.381% * 0.0265% (0.02 0.02 0.02) = 0.027% QG2 ILE 29 - HB2 SER 77 2.381% * 0.0246% (0.01 0.02 0.02) = 0.025% HG12 ILE 68 - HB2 SER 77 2.381% * 0.0246% (0.01 0.02 0.02) = 0.025% Peak 69 (0.91, 0.11, 22.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 74 (0.75, 0.11, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 75 (0.73, -0.03, 22.35 ppm): 8 chemical-shift based assignments, quality = 0.157, support = 2.59, residual support = 34.8: O HG LEU 74 - QD1 LEU 74 12.500% * 46.4973% (0.06 10.0 3.77 64.26) = 46.497% kept QD1 ILE 68 - QD1 LEU 74 12.500% * 22.3801% (0.35 1.0 1.61 9.35) = 22.380% kept QG2 ILE 48 - QD1 LEU 74 12.500% * 15.5546% (0.20 1.0 1.96 5.19) = 15.555% kept QG2 ILE 101 - QD1 LEU 74 12.500% * 7.9240% (0.16 1.0 1.26 12.86) = 7.924% kept HG LEU 67 - QD1 LEU 74 12.500% * 3.9991% (0.06 1.0 1.63 24.34) = 3.999% kept HG3 LYS+ 66 - QD1 LEU 74 12.500% * 2.5387% (0.27 1.0 0.24 1.23) = 2.539% kept HG2 PRO 59 - QD1 LEU 74 12.500% * 0.8358% (0.07 1.0 0.30 0.02) = 0.836% QG2 VAL 40 - QD1 LEU 74 12.500% * 0.2705% (0.34 1.0 0.02 0.02) = 0.271% Peak 77 (0.59, 0.58, 22.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 78 (0.58, 0.99, 22.41 ppm): 2 chemical-shift based assignments, quality = 0.127, support = 1.74, residual support = 7.32: T QD1 LEU 23 - QG2 VAL 99 50.000% * 99.3954% (0.13 10.00 1.75 7.36) = 99.395% kept QD1 ILE 101 - QG2 VAL 99 50.000% * 0.6046% (0.03 1.00 0.53 0.02) = 0.605% Peak 79 (0.46, -0.03, 22.34 ppm): 3 chemical-shift based assignments, quality = 0.241, support = 3.49, residual support = 62.1: O T QD2 LEU 74 - QD1 LEU 74 33.333% * 96.1850% (0.24 10.0 10.00 3.62 64.26) = 96.185% kept QG2 ILE 68 - QD1 LEU 74 33.333% * 2.3141% (0.25 1.0 1.00 0.46 9.35) = 2.314% kept QD2 LEU 43 - QD1 LEU 74 33.333% * 1.5009% (0.30 1.0 1.00 0.25 6.55) = 1.501% kept Peak 80 (0.43, 0.59, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 82 (0.29, 0.59, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 88 (-0.03, -0.03, 22.35 ppm): 1 diagonal assignment: QD1 LEU 74 - QD1 LEU 74 (0.07) 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): 4 chemical-shift based assignments, quality = 0.155, support = 3.4, residual support = 28.9: HN VAL 62 - QG2 VAL 62 25.000% * 90.3536% (0.16 3.73 31.97) = 90.354% kept HN THR 95 - QG2 VAL 62 25.000% * 8.7519% (0.14 0.40 0.02) = 8.752% kept HN PHE 34 - QG2 VAL 62 25.000% * 0.5857% (0.19 0.02 0.02) = 0.586% HN SER 69 - QG2 VAL 62 25.000% * 0.3088% (0.10 0.02 0.02) = 0.309% Peak 93 (8.60, 1.10, 22.30 ppm): 5 chemical-shift based assignments, quality = 0.0689, support = 1.42, residual support = 1.42: HN VAL 80 - QG2 THR 79 20.000% * 70.8182% (0.07 1.78 1.92) = 70.818% kept HN THR 39 - QG2 THR 79 20.000% * 26.4123% (0.07 0.61 0.23) = 26.412% kept HN LYS+ 20 - QG2 THR 79 20.000% * 1.8939% (0.16 0.02 0.02) = 1.894% kept HN VAL 73 - QG2 THR 79 20.000% * 0.5372% (0.04 0.02 0.02) = 0.537% HN SER 85 - QG2 THR 79 20.000% * 0.3384% (0.03 0.02 0.02) = 0.338% Not enough quality. Peak unassigned. Peak 94 (8.59, 0.95, 22.22 ppm): 12 chemical-shift based assignments, quality = 0.426, support = 1.28, residual support = 3.63: HN VAL 80 - QG2 VAL 62 8.333% * 43.5077% (0.53 1.12 0.52) = 43.508% kept HN LYS+ 20 - QG2 VAL 62 8.333% * 19.4323% (0.55 0.48 0.15) = 19.432% kept HN VAL 73 - QG2 VAL 73 8.333% * 18.7501% (0.07 3.44 17.94) = 18.750% kept HN THR 39 - QG2 VAL 62 8.333% * 13.4554% (0.55 0.33 0.02) = 13.455% kept HN LYS+ 20 - QG2 VAL 99 8.333% * 2.8279% (0.13 0.30 0.11) = 2.828% kept HN VAL 73 - QG2 VAL 62 8.333% * 0.6400% (0.43 0.02 0.15) = 0.640% HN LYS+ 20 - QG2 VAL 73 8.333% * 0.5996% (0.09 0.09 0.02) = 0.600% HN THR 39 - QG2 VAL 99 8.333% * 0.1876% (0.13 0.02 0.02) = 0.188% HN VAL 80 - QG2 VAL 99 8.333% * 0.1806% (0.12 0.02 0.02) = 0.181% HN VAL 73 - QG2 VAL 99 8.333% * 0.1485% (0.10 0.02 0.02) = 0.149% HN THR 39 - QG2 VAL 73 8.333% * 0.1378% (0.09 0.02 0.11) = 0.138% HN VAL 80 - QG2 VAL 73 8.333% * 0.1327% (0.09 0.02 0.02) = 0.133% Peak 95 (8.45, 4.27, 63.48 ppm): 8 chemical-shift based assignments, quality = 0.13, support = 0.445, residual support = 0.13: HN GLU- 18 - HA PRO 104 12.500% * 55.6161% (0.05 0.78 0.02) = 55.616% kept HN LEU 74 - HA PRO 104 12.500% * 10.3919% (0.33 0.02 1.08) = 10.392% kept HN LYS+ 113 - HA PRO 104 12.500% * 9.0947% (0.29 0.02 0.02) = 9.095% kept HN GLU- 107 - HA PRO 104 12.500% * 7.6134% (0.24 0.02 0.02) = 7.613% kept HN GLY 92 - HA PRO 104 12.500% * 5.1034% (0.16 0.02 0.02) = 5.103% kept HN ARG+ 53 - HA PRO 104 12.500% * 4.3104% (0.14 0.02 0.02) = 4.310% kept HN CYS 123 - HA PRO 104 12.500% * 3.9350% (0.13 0.02 0.02) = 3.935% kept HN GLU- 75 - HA PRO 104 12.500% * 3.9350% (0.13 0.02 0.02) = 3.935% kept Not enough quality. Peak unassigned. Peak 96 (8.48, 0.93, 22.17 ppm): 15 chemical-shift based assignments, quality = 0.221, support = 0.942, residual support = 2.81: HN GLU- 18 - QG1 VAL 47 6.667% * 29.1643% (0.46 0.23 0.02) = 29.164% kept HN LEU 74 - QG2 VAL 73 6.667% * 23.1594% (0.02 3.42 11.82) = 23.159% kept HN GLY 92 - QG2 VAL 73 6.667% * 10.1173% (0.13 0.28 0.02) = 10.117% kept HN GLU- 18 - QG2 VAL 73 6.667% * 9.8801% (0.16 0.23 0.02) = 9.880% kept HN GLU- 18 - QG2 VAL 62 6.667% * 8.2239% (0.29 0.10 0.02) = 8.224% kept HN LYS+ 113 - QG2 VAL 73 6.667% * 5.7947% (0.07 0.29 0.02) = 5.795% kept HN GLU- 107 - QG2 VAL 73 6.667% * 2.1550% (0.10 0.08 0.02) = 2.155% kept HN GLY 92 - QG1 VAL 47 6.667% * 2.1506% (0.39 0.02 0.02) = 2.151% kept HN LEU 74 - QG1 VAL 47 6.667% * 2.1327% (0.07 0.11 0.85) = 2.133% kept HN GLU- 107 - QG1 VAL 47 6.667% * 1.5616% (0.28 0.02 0.02) = 1.562% kept HN GLY 92 - QG2 VAL 62 6.667% * 1.3837% (0.25 0.02 0.02) = 1.384% kept HN LEU 74 - QG2 VAL 62 6.667% * 1.3748% (0.05 0.11 2.56) = 1.375% kept HN LYS+ 113 - QG1 VAL 47 6.667% * 1.1543% (0.21 0.02 0.02) = 1.154% kept HN GLU- 107 - QG2 VAL 62 6.667% * 1.0048% (0.18 0.02 0.02) = 1.005% kept HN LYS+ 113 - QG2 VAL 62 6.667% * 0.7427% (0.13 0.02 0.02) = 0.743% Peak 97 (8.26, 4.06, 63.54 ppm): 7 chemical-shift based assignments, quality = 0.055, support = 4.58, residual support = 15.0: O HN SER 49 - HB2 SER 49 14.286% * 87.3187% (0.05 10.0 5.14 17.21) = 87.319% kept HN GLY 58 - HB2 SER 49 14.286% * 6.1247% (0.08 1.0 0.95 0.02) = 6.125% kept HN LEU 67 - HB2 SER 49 14.286% * 5.1032% (0.10 1.0 0.62 0.02) = 5.103% kept HN LYS+ 81 - HB2 SER 49 14.286% * 0.7102% (0.10 1.0 0.09 0.02) = 0.710% HN ASP- 115 - HB2 SER 49 14.286% * 0.3141% (0.19 1.0 0.02 0.02) = 0.314% HN THR 106 - HB2 SER 49 14.286% * 0.3113% (0.18 1.0 0.02 0.02) = 0.311% HN ASN 89 - HB2 SER 49 14.286% * 0.1179% (0.07 1.0 0.02 0.02) = 0.118% 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): 10 chemical-shift based assignments, quality = 0.202, support = 0.86, residual support = 0.312: HN LYS+ 81 - QG2 VAL 62 10.000% * 45.9187% (0.21 1.09 0.45) = 45.919% kept HN SER 49 - QG2 VAL 62 10.000% * 38.5067% (0.25 0.77 0.16) = 38.507% kept HN GLU- 45 - QG2 VAL 62 10.000% * 11.7404% (0.11 0.52 0.34) = 11.740% kept HN GLY 58 - QG2 VAL 62 10.000% * 0.9296% (0.23 0.02 0.40) = 0.930% HN LEU 67 - QG2 VAL 62 10.000% * 0.8411% (0.21 0.02 0.02) = 0.841% HN VAL 94 - QG2 VAL 62 10.000% * 0.7313% (0.18 0.02 0.02) = 0.731% HN VAL 105 - QG2 VAL 62 10.000% * 0.6917% (0.17 0.02 0.02) = 0.692% HN THR 106 - QG2 VAL 62 10.000% * 0.2800% (0.07 0.02 0.02) = 0.280% HN ASP- 115 - QG2 VAL 62 10.000% * 0.2242% (0.06 0.02 0.02) = 0.224% HN LYS+ 117 - QG2 VAL 62 10.000% * 0.1363% (0.03 0.02 0.02) = 0.136% Peak 100 (7.85, 0.96, 22.06 ppm): 3 chemical-shift based assignments, quality = 0.0596, support = 3.59, residual support = 19.4: HN LYS+ 63 - QG2 VAL 62 33.333% * 89.4702% (0.06 3.98 21.65) = 89.470% kept HD22 ASN 89 - QG2 VAL 62 33.333% * 9.7307% (0.08 0.30 0.02) = 9.731% kept HN THR 38 - QG2 VAL 62 33.333% * 0.7991% (0.10 0.02 0.02) = 0.799% Peak 101 (7.51, 0.89, 22.14 ppm): 4 chemical-shift based assignments, quality = 0.52, support = 1.38, residual support = 2.47: HE3 TRP 51 - QG1 VAL 47 25.000% * 64.2860% (0.65 1.59 3.01) = 64.286% kept HE3 TRP 51 - QG2 VAL 47 25.000% * 17.7605% (0.20 1.45 3.01) = 17.760% kept HN ASP- 82 - QG1 VAL 47 25.000% * 14.5540% (0.42 0.55 0.02) = 14.554% kept HN ASP- 82 - QG2 VAL 47 25.000% * 3.3995% (0.13 0.43 0.02) = 3.400% kept Peak 102 (7.33, 0.90, 22.16 ppm): 18 chemical-shift based assignments, quality = 0.652, support = 2.58, residual support = 20.5: HN VAL 47 - QG1 VAL 47 5.556% * 39.0357% (0.68 4.17 37.60) = 39.036% kept HN VAL 47 - QG2 VAL 47 5.556% * 14.5258% (0.24 4.45 37.60) = 14.526% kept HZ2 TRP 51 - QG1 VAL 47 5.556% * 9.9553% (0.93 0.78 3.01) = 9.955% kept QE PHE 34 - QG1 VAL 47 5.556% * 9.4706% (0.93 0.74 0.02) = 9.471% kept QD PHE 34 - QG1 VAL 47 5.556% * 7.3878% (0.75 0.72 0.02) = 7.388% kept HN ARG+ 84 - QG1 VAL 47 5.556% * 5.9962% (0.65 0.68 0.02) = 5.996% kept HZ PHE 34 - QG1 VAL 47 5.556% * 5.9261% (0.93 0.46 0.02) = 5.926% kept HZ2 TRP 51 - QG2 VAL 47 5.556% * 2.1722% (0.32 0.49 3.01) = 2.172% kept QD PHE 34 - QG2 VAL 47 5.556% * 2.0270% (0.26 0.56 0.02) = 2.027% kept HN ARG+ 84 - QG2 VAL 47 5.556% * 1.5040% (0.22 0.49 0.02) = 1.504% kept HZ PHE 34 - QG2 VAL 47 5.556% * 1.4845% (0.32 0.33 0.02) = 1.484% kept QE PHE 34 - QG2 VAL 47 5.556% * 0.4084% (0.32 0.09 0.02) = 0.408% HZ2 TRP 51 - QG2 VAL 73 5.556% * 0.0203% (0.07 0.02 0.02) = 0.020% QE PHE 34 - QG2 VAL 73 5.556% * 0.0203% (0.07 0.02 0.02) = 0.020% HZ PHE 34 - QG2 VAL 73 5.556% * 0.0203% (0.07 0.02 0.02) = 0.020% QD PHE 34 - QG2 VAL 73 5.556% * 0.0164% (0.06 0.02 0.02) = 0.016% HN VAL 47 - QG2 VAL 73 5.556% * 0.0149% (0.05 0.02 0.02) = 0.015% HN ARG+ 84 - QG2 VAL 73 5.556% * 0.0141% (0.05 0.02 0.02) = 0.014% Peak 103 (6.74, 0.89, 22.15 ppm): 6 chemical-shift based assignments, quality = 0.692, support = 0.986, residual support = 1.63: QE TYR 83 - QG1 VAL 47 16.667% * 40.5802% (0.89 0.96 0.19) = 40.580% kept HZ3 TRP 51 - QG1 VAL 47 16.667% * 28.2626% (0.85 0.70 3.01) = 28.263% kept HZ3 TRP 51 - QG2 VAL 47 16.667% * 23.0476% (0.31 1.58 3.01) = 23.048% kept QE TYR 83 - QG2 VAL 47 16.667% * 6.1717% (0.32 0.40 0.19) = 6.172% kept QE TYR 83 - QG2 VAL 73 16.667% * 1.8840% (0.06 0.67 0.02) = 1.884% kept HZ3 TRP 51 - QG2 VAL 73 16.667% * 0.0539% (0.06 0.02 0.02) = 0.054% Peak 104 (5.37, 1.10, 22.26 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 106 (4.58, 0.95, 22.15 ppm): 4 chemical-shift based assignments, quality = 0.186, support = 1.07, residual support = 6.81: HA LYS+ 72 - QG2 VAL 62 25.000% * 52.2776% (0.29 0.34 1.73) = 52.278% kept HA LYS+ 72 - QG2 VAL 73 25.000% * 42.9197% (0.04 2.07 13.75) = 42.920% kept HA ASP- 25 - QG2 VAL 62 25.000% * 4.2329% (0.40 0.02 0.02) = 4.233% kept HA ASP- 25 - QG2 VAL 73 25.000% * 0.5698% (0.05 0.02 0.02) = 0.570% Peak 107 (4.51, 4.09, 63.63 ppm): 14 chemical-shift based assignments, quality = 0.0268, support = 0.918, residual support = 3.13: O HA SER 77 - HB3 SER 77 7.143% * 87.6140% (0.02 10.0 1.00 3.20) = 87.614% kept HA ASN 76 - HB3 SER 77 7.143% * 3.5903% (0.01 1.0 0.75 0.38) = 3.590% kept HA LYS+ 78 - HB3 SER 77 7.143% * 2.9449% (0.02 1.0 0.47 10.69) = 2.945% kept HB THR 46 - HB2 SER 49 7.143% * 1.1743% (0.17 1.0 0.02 0.02) = 1.174% kept HA LYS+ 55 - HB2 SER 49 7.143% * 1.1743% (0.17 1.0 0.02 0.02) = 1.174% kept HA SER 77 - HB2 SER 49 7.143% * 0.8230% (0.12 1.0 0.02 0.02) = 0.823% HA CYS 123 - HB2 SER 49 7.143% * 0.6783% (0.10 1.0 0.02 0.02) = 0.678% HA LYS+ 78 - HB2 SER 49 7.143% * 0.5832% (0.08 1.0 0.02 0.02) = 0.583% HA ASN 76 - HB2 SER 49 7.143% * 0.4496% (0.06 1.0 0.02 0.02) = 0.450% HA ALA 103 - HB2 SER 49 7.143% * 0.2667% (0.04 1.0 0.02 0.02) = 0.267% HA LYS+ 55 - HB3 SER 77 7.143% * 0.2500% (0.04 1.0 0.02 0.02) = 0.250% HB THR 46 - HB3 SER 77 7.143% * 0.2500% (0.04 1.0 0.02 0.02) = 0.250% HA CYS 123 - HB3 SER 77 7.143% * 0.1444% (0.02 1.0 0.02 0.02) = 0.144% HA ALA 103 - HB3 SER 77 7.143% * 0.0568% (0.01 1.0 0.02 0.02) = 0.057% Not enough quality. Peak unassigned. Peak 108 (4.51, 1.10, 22.26 ppm): 7 chemical-shift based assignments, quality = 0.117, support = 1.02, residual support = 14.4: HA LYS+ 78 - QG2 THR 79 14.286% * 63.4071% (0.11 1.47 22.77) = 63.407% kept HA SER 77 - QG2 THR 79 14.286% * 14.4138% (0.14 0.27 0.02) = 14.414% kept HA CYS 123 - QG2 THR 79 14.286% * 11.1750% (0.11 0.26 0.02) = 11.175% kept HA ASN 76 - QG2 THR 79 14.286% * 7.4333% (0.07 0.27 0.02) = 7.433% kept HB THR 46 - QG2 THR 79 14.286% * 1.5812% (0.21 0.02 0.02) = 1.581% kept HA LYS+ 55 - QG2 THR 79 14.286% * 1.5812% (0.21 0.02 0.02) = 1.581% kept HA ALA 103 - QG2 THR 79 14.286% * 0.4085% (0.05 0.02 0.02) = 0.409% Peak 109 (4.28, 4.28, 63.45 ppm): 1 diagonal assignment: HA PRO 104 - HA PRO 104 (0.21) kept Peak 110 (4.26, 0.73, 22.10 ppm): 15 chemical-shift based assignments, quality = 0.0192, support = 0.715, residual support = 1.05: HA ALA 91 - QG2 VAL 94 6.667% * 20.3520% (0.02 1.34 2.34) = 20.352% kept HD3 PRO 59 - QG2 VAL 94 6.667% * 15.8180% (0.02 0.96 1.98) = 15.818% kept HA GLU- 75 - QG2 VAL 94 6.667% * 13.4022% (0.03 0.47 0.02) = 13.402% kept HA ARG+ 84 - QG2 VAL 94 6.667% * 11.7934% (0.02 0.58 0.02) = 11.793% kept HA LYS+ 108 - QG2 VAL 94 6.667% * 10.7505% (0.03 0.43 0.25) = 10.750% kept HA SER 85 - QG2 VAL 94 6.667% * 10.4494% (0.02 0.64 0.90) = 10.449% kept HA PRO 59 - QG2 VAL 94 6.667% * 6.5788% (0.02 0.28 1.98) = 6.579% kept HA VAL 65 - QG2 VAL 94 6.667% * 4.9090% (0.02 0.26 0.02) = 4.909% kept HA GLU- 18 - QG2 VAL 94 6.667% * 2.4361% (0.01 0.35 0.02) = 2.436% kept HA THR 106 - QG2 VAL 94 6.667% * 1.6001% (0.00 0.38 0.02) = 1.600% kept HA GLU- 56 - QG2 VAL 94 6.667% * 0.6234% (0.03 0.02 0.02) = 0.623% HA2 GLY 114 - QG2 VAL 94 6.667% * 0.6111% (0.03 0.02 0.02) = 0.611% HA PRO 52 - QG2 VAL 94 6.667% * 0.3280% (0.02 0.02 0.02) = 0.328% HA GLU- 54 - QG2 VAL 94 6.667% * 0.1924% (0.01 0.02 0.02) = 0.192% HA SER 49 - QG2 VAL 94 6.667% * 0.1555% (0.01 0.02 0.02) = 0.155% Not enough quality. Peak unassigned. Peak 112 (4.18, 0.93, 22.12 ppm): 12 chemical-shift based assignments, quality = 0.202, support = 0.38, residual support = 0.385: T HA VAL 73 - QG2 VAL 62 8.333% * 54.2436% (0.29 10.00 0.34 0.15) = 54.244% kept T HA LYS+ 44 - QG2 VAL 62 8.333% * 29.5522% (0.09 10.00 0.57 1.00) = 29.552% kept T HA LYS+ 44 - QG1 VAL 47 8.333% * 7.3039% (0.08 10.00 0.16 0.02) = 7.304% kept HA ASP- 82 - QG1 VAL 47 8.333% * 2.8648% (0.10 1.00 0.54 0.02) = 2.865% kept T HA VAL 73 - QG1 VAL 47 8.333% * 2.7477% (0.25 10.00 0.02 0.02) = 2.748% kept T HA GLU- 64 - QG1 VAL 47 8.333% * 1.8418% (0.17 10.00 0.02 0.28) = 1.842% kept T HA GLU- 109 - QG1 VAL 47 8.333% * 0.4986% (0.04 10.00 0.02 0.02) = 0.499% HA MET 126 - QG2 VAL 62 8.333% * 0.2964% (0.27 1.00 0.02 0.02) = 0.296% HA MET 126 - QG1 VAL 47 8.333% * 0.2553% (0.23 1.00 0.02 0.02) = 0.255% HA GLU- 64 - QG2 VAL 62 8.333% * 0.2138% (0.19 1.00 0.02 5.60) = 0.214% HA ASP- 82 - QG2 VAL 62 8.333% * 0.1240% (0.11 1.00 0.02 0.02) = 0.124% HA GLU- 109 - QG2 VAL 62 8.333% * 0.0579% (0.05 1.00 0.02 0.02) = 0.058% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 116 (3.84, 0.95, 22.05 ppm): 7 chemical-shift based assignments, quality = 0.0972, support = 0.586, residual support = 2.19: T HA LYS+ 44 - QG2 VAL 62 14.286% * 86.2805% (0.10 10.00 0.57 1.00) = 86.281% kept HA ILE 48 - QG2 VAL 62 14.286% * 12.2489% (0.10 1.00 0.80 10.85) = 12.249% kept HD3 PRO 86 - QG2 VAL 62 14.286% * 0.4774% (0.15 1.00 0.02 0.02) = 0.477% HA2 GLY 92 - QG2 VAL 62 14.286% * 0.3467% (0.11 1.00 0.02 0.02) = 0.347% HB3 SER 88 - QG2 VAL 62 14.286% * 0.2350% (0.08 1.00 0.02 0.02) = 0.235% HD3 PRO 116 - QG2 VAL 62 14.286% * 0.2350% (0.08 1.00 0.02 0.02) = 0.235% HA VAL 87 - QG2 VAL 62 14.286% * 0.1764% (0.06 1.00 0.02 0.02) = 0.176% Not enough quality. Peak unassigned. Peak 119 (3.72, -0.04, 22.26 ppm): 3 chemical-shift based assignments, quality = 0.273, support = 1.07, residual support = 5.57: HA LEU 43 - QD1 LEU 74 33.333% * 56.2924% (0.20 1.55 6.55) = 56.292% kept HA ILE 48 - QD1 LEU 74 33.333% * 34.3438% (0.44 0.43 5.19) = 34.344% kept HD3 PRO 104 - QD1 LEU 74 33.333% * 9.3639% (0.09 0.58 1.08) = 9.364% kept 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): 8 chemical-shift based assignments, quality = 0.208, support = 2.34, residual support = 29.7: O T HA VAL 62 - QG2 VAL 62 12.500% * 92.9584% (0.21 10.0 10.00 2.45 31.97) = 92.958% kept HA VAL 80 - QG2 VAL 62 12.500% * 5.3049% (0.20 1.0 1.00 1.24 0.52) = 5.305% kept HA ILE 48 - QG2 VAL 62 12.500% * 0.8254% (0.05 1.0 1.00 0.80 10.85) = 0.825% HA1 GLY 71 - QG2 VAL 62 12.500% * 0.7108% (0.09 1.0 1.00 0.35 0.86) = 0.711% HB THR 79 - QG2 VAL 62 12.500% * 0.0636% (0.15 1.0 1.00 0.02 0.02) = 0.064% HB2 SER 69 - QG2 VAL 62 12.500% * 0.0596% (0.14 1.0 1.00 0.02 0.02) = 0.060% HA THR 39 - QG2 VAL 62 12.500% * 0.0404% (0.09 1.0 1.00 0.02 0.02) = 0.040% HD3 PRO 31 - QG2 VAL 62 12.500% * 0.0369% (0.08 1.0 1.00 0.02 0.02) = 0.037% 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): 6 chemical-shift based assignments, quality = 0.645, support = 3.4, residual support = 37.5: O T HA VAL 47 - QG1 VAL 47 16.667% * 77.2251% (0.77 10.0 10.00 3.32 37.60) = 77.225% kept O T HA VAL 47 - QG2 VAL 47 16.667% * 22.5036% (0.22 10.0 10.00 3.70 37.60) = 22.504% kept HA1 GLY 58 - QG1 VAL 47 16.667% * 0.1493% (0.31 1.0 1.00 0.10 0.02) = 0.149% HB3 ASP- 25 - QG1 VAL 47 16.667% * 0.0875% (0.87 1.0 1.00 0.02 0.02) = 0.087% HB3 ASP- 25 - QG2 VAL 47 16.667% * 0.0255% (0.25 1.0 1.00 0.02 0.02) = 0.025% HA1 GLY 58 - QG2 VAL 47 16.667% * 0.0091% (0.09 1.0 1.00 0.02 0.02) = 0.009% Peak 139 (2.84, 0.93, 22.15 ppm): 4 chemical-shift based assignments, quality = 0.257, support = 0.352, residual support = 0.304: HA1 GLY 58 - QG2 VAL 62 25.000% * 75.6740% (0.25 0.44 0.40) = 75.674% kept HA1 GLY 58 - QG1 VAL 47 25.000% * 19.4176% (0.30 0.10 0.02) = 19.418% kept HB3 ASN 119 - QG1 VAL 47 25.000% * 2.6525% (0.19 0.02 0.02) = 2.652% kept HB3 ASN 119 - QG2 VAL 62 25.000% * 2.2559% (0.17 0.02 0.02) = 2.256% kept Not enough total support, support cutoff is 0.50 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): 4 chemical-shift based assignments, quality = 0.0783, support = 0.489, residual support = 0.364: HA1 GLY 58 - QG2 VAL 62 25.000% * 60.0381% (0.10 0.44 0.40) = 60.038% kept HG3 GLU- 45 - QG2 VAL 62 25.000% * 37.3116% (0.05 0.60 0.34) = 37.312% kept HB VAL 40 - QG2 VAL 62 25.000% * 2.1399% (0.08 0.02 0.02) = 2.140% kept HG3 PRO 35 - QG2 VAL 62 25.000% * 0.5104% (0.02 0.02 0.02) = 0.510% Not enough quality. Peak unassigned. Peak 143 (2.23, 4.28, 63.44 ppm): 26 chemical-shift based assignments, quality = 0.293, support = 0.551, residual support = 1.04: HA1 GLY 58 - HA PRO 104 3.846% * 30.1003% (0.20 1.03 2.69) = 30.100% kept HG3 GLU- 18 - HA PRO 104 3.846% * 24.5501% (0.47 0.35 0.02) = 24.550% kept HG3 MET 126 - HA PRO 104 3.846% * 20.5823% (0.34 0.41 0.11) = 20.582% kept HA1 GLY 58 - HA PRO 112 3.846% * 5.9387% (0.06 0.70 0.12) = 5.939% kept HB2 LYS+ 113 - HA PRO 112 3.846% * 3.3595% (0.03 0.75 5.65) = 3.359% kept HG3 GLU- 18 - HA PRO 112 3.846% * 1.6732% (0.14 0.08 0.02) = 1.673% kept HB3 PRO 52 - HA PRO 104 3.846% * 1.5570% (0.52 0.02 0.02) = 1.557% kept HG3 MET 118 - HA PRO 104 3.846% * 1.5262% (0.51 0.02 0.02) = 1.526% kept HG3 GLU- 75 - HA PRO 104 3.846% * 1.4373% (0.48 0.02 0.02) = 1.437% kept HG3 GLU- 107 - HA PRO 104 3.846% * 1.3506% (0.45 0.02 0.02) = 1.351% kept HB2 GLU- 50 - HA PRO 104 3.846% * 1.3005% (0.44 0.02 0.02) = 1.301% kept HG3 GLU- 109 - HA PRO 104 3.846% * 1.1306% (0.38 0.02 0.02) = 1.131% kept HG2 GLU- 56 - HA PRO 104 3.846% * 1.0072% (0.34 0.02 0.02) = 1.007% kept HG3 GLU- 54 - HA PRO 104 3.846% * 0.4806% (0.16 0.02 0.02) = 0.481% HB3 PRO 52 - HA PRO 112 3.846% * 0.4527% (0.15 0.02 0.02) = 0.453% HG3 MET 118 - HA PRO 112 3.846% * 0.4437% (0.15 0.02 0.02) = 0.444% HB VAL 80 - HA PRO 104 3.846% * 0.4329% (0.15 0.02 0.02) = 0.433% HG3 GLU- 75 - HA PRO 112 3.846% * 0.4179% (0.14 0.02 0.02) = 0.418% HG3 GLU- 107 - HA PRO 112 3.846% * 0.3927% (0.13 0.02 0.02) = 0.393% HB2 GLU- 50 - HA PRO 112 3.846% * 0.3781% (0.13 0.02 0.02) = 0.378% HG3 GLU- 109 - HA PRO 112 3.846% * 0.3287% (0.11 0.02 0.02) = 0.329% HB2 LYS+ 113 - HA PRO 104 3.846% * 0.3081% (0.10 0.02 0.02) = 0.308% HG3 MET 126 - HA PRO 112 3.846% * 0.2928% (0.10 0.02 0.02) = 0.293% HG2 GLU- 56 - HA PRO 112 3.846% * 0.2928% (0.10 0.02 0.02) = 0.293% HG3 GLU- 54 - HA PRO 112 3.846% * 0.1397% (0.05 0.02 0.02) = 0.140% HB VAL 80 - HA PRO 112 3.846% * 0.1259% (0.04 0.02 0.02) = 0.126% Peak 144 (2.04, 0.95, 22.08 ppm): 14 chemical-shift based assignments, quality = 0.213, support = 2.1, residual support = 28.8: O T HB VAL 62 - QG2 VAL 62 7.143% * 89.9023% (0.22 10.0 10.00 2.30 31.97) = 89.902% kept T HB2 LYS+ 44 - QG2 VAL 62 7.143% * 3.8199% (0.11 1.0 10.00 0.17 1.00) = 3.820% kept HB3 GLU- 45 - QG2 VAL 62 7.143% * 2.1292% (0.16 1.0 1.00 0.65 0.34) = 2.129% kept HB2 GLU- 45 - QG2 VAL 62 7.143% * 2.0728% (0.19 1.0 1.00 0.55 0.34) = 2.073% kept T HG3 PRO 86 - QG2 VAL 62 7.143% * 0.8990% (0.22 1.0 10.00 0.02 0.02) = 0.899% T HB3 LYS+ 110 - QG2 VAL 62 7.143% * 0.8754% (0.22 1.0 10.00 0.02 0.02) = 0.875% HB3 GLU- 107 - QG2 VAL 62 7.143% * 0.0787% (0.20 1.0 1.00 0.02 0.02) = 0.079% HB3 GLU- 75 - QG2 VAL 62 7.143% * 0.0574% (0.14 1.0 1.00 0.02 0.02) = 0.057% HB3 PRO 31 - QG2 VAL 62 7.143% * 0.0442% (0.11 1.0 1.00 0.02 0.02) = 0.044% HB2 PRO 112 - QG2 VAL 62 7.143% * 0.0340% (0.08 1.0 1.00 0.02 0.02) = 0.034% HB3 PRO 112 - QG2 VAL 62 7.143% * 0.0280% (0.07 1.0 1.00 0.02 0.02) = 0.028% HG2 PRO 116 - QG2 VAL 62 7.143% * 0.0252% (0.06 1.0 1.00 0.02 0.02) = 0.025% HG3 ARG+ 53 - QG2 VAL 62 7.143% * 0.0180% (0.04 1.0 1.00 0.02 0.02) = 0.018% HG2 GLU- 64 - QG2 VAL 62 7.143% * 0.0159% (0.04 1.0 1.00 0.02 5.60) = 0.016% Peak 145 (1.66, 4.28, 63.54 ppm): 10 chemical-shift based assignments, quality = 0.401, support = 0.337, residual support = 0.101: T HB3 MET 126 - HA PRO 104 10.000% * 90.5782% (0.41 10.00 0.37 0.11) = 90.578% kept T HG3 ARG+ 84 - HA PRO 104 10.000% * 5.1874% (0.43 10.00 0.02 0.02) = 5.187% kept HB3 MET 97 - HA PRO 104 10.000% * 1.8266% (0.35 1.00 0.09 0.02) = 1.827% kept T HG3 ARG+ 84 - HA PRO 112 10.000% * 1.4173% (0.12 10.00 0.02 0.02) = 1.417% kept HB3 ARG+ 22 - HA PRO 104 10.000% * 0.3767% (0.31 1.00 0.02 0.02) = 0.377% HD3 LYS+ 55 - HA PRO 104 10.000% * 0.2058% (0.17 1.00 0.02 0.02) = 0.206% HB3 MET 126 - HA PRO 112 10.000% * 0.1344% (0.11 1.00 0.02 0.02) = 0.134% HB3 MET 97 - HA PRO 112 10.000% * 0.1145% (0.10 1.00 0.02 0.02) = 0.115% HB3 ARG+ 22 - HA PRO 112 10.000% * 0.1029% (0.09 1.00 0.02 0.02) = 0.103% HD3 LYS+ 55 - HA PRO 112 10.000% * 0.0562% (0.05 1.00 0.02 0.02) = 0.056% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 147 (1.19, -0.03, 22.24 ppm): 6 chemical-shift based assignments, quality = 0.31, support = 3.01, residual support = 51.5: O HG LEU 74 - QD1 LEU 74 16.667% * 45.9418% (0.35 10.0 1.00 3.77 64.26) = 45.942% kept O HB2 LEU 74 - QD1 LEU 74 16.667% * 30.9522% (0.23 10.0 1.00 3.48 64.26) = 30.952% kept T HB ILE 68 - QD1 LEU 74 16.667% * 22.1279% (0.36 1.0 10.00 0.93 9.35) = 22.128% kept QG2 THR 106 - QD1 LEU 74 16.667% * 0.9346% (0.19 1.0 1.00 0.74 0.75) = 0.935% HB3 LYS+ 66 - QD1 LEU 74 16.667% * 0.0329% (0.25 1.0 1.00 0.02 1.23) = 0.033% HG3 PRO 59 - QD1 LEU 74 16.667% * 0.0107% (0.08 1.0 1.00 0.02 0.02) = 0.011% Peak 150 (0.90, -0.03, 22.25 ppm): 13 chemical-shift based assignments, quality = 0.205, support = 3.1, residual support = 49.0: O HG LEU 74 - QD1 LEU 74 7.692% * 71.5013% (0.19 10.0 3.77 64.26) = 71.501% kept HG13 ILE 68 - QD1 LEU 74 7.692% * 7.6854% (0.32 1.0 1.27 9.35) = 7.685% kept QG2 VAL 73 - QD1 LEU 74 7.692% * 7.0964% (0.14 1.0 2.70 11.82) = 7.096% kept QG1 VAL 122 - QD1 LEU 74 7.692% * 4.9906% (0.22 1.0 1.21 5.46) = 4.991% kept QD1 LEU 67 - QD1 LEU 74 7.692% * 4.6981% (0.34 1.0 0.75 24.34) = 4.698% kept QG2 VAL 125 - QD1 LEU 74 7.692% * 2.1429% (0.15 1.0 0.75 2.58) = 2.143% kept QG1 VAL 47 - QD1 LEU 74 7.692% * 1.0233% (0.34 1.0 0.16 0.85) = 1.023% kept QG2 VAL 105 - QD1 LEU 74 7.692% * 0.4960% (0.34 1.0 0.08 0.63) = 0.496% QG2 VAL 87 - QD1 LEU 74 7.692% * 0.1234% (0.33 1.0 0.02 0.02) = 0.123% QG1 VAL 80 - QD1 LEU 74 7.692% * 0.1024% (0.27 1.0 0.02 0.56) = 0.102% QG2 VAL 47 - QD1 LEU 74 7.692% * 0.0623% (0.17 1.0 0.02 0.85) = 0.062% QG1 VAL 40 - QD1 LEU 74 7.692% * 0.0526% (0.14 1.0 0.02 0.02) = 0.053% QG2 VAL 122 - QD1 LEU 74 7.692% * 0.0253% (0.07 1.0 0.02 5.46) = 0.025% Peak 154 (0.12, 0.90, 22.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 155 (-0.03, 0.72, 22.14 ppm): 1 chemical-shift based assignment, quality = 0.00626, support = 0.248, residual support = 0.718: QD1 LEU 74 - QG2 VAL 94 100.000% *100.0000% (0.01 0.25 0.72) = 100.000% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 157 (8.96, 0.70, 21.70 ppm): 4 chemical-shift based assignments, quality = 0.519, support = 2.42, residual support = 4.29: HN THR 96 - QG2 VAL 94 25.000% * 44.2202% (0.42 3.76 8.78) = 44.220% kept HN MET 97 - QG2 VAL 94 25.000% * 32.5496% (0.73 1.58 1.19) = 32.550% kept HN ARG+ 22 - QG2 VAL 94 25.000% * 13.6417% (0.48 1.02 0.14) = 13.642% kept HN PHE 21 - QG2 VAL 94 25.000% * 9.5886% (0.33 1.03 0.02) = 9.589% kept Peak 158 (8.78, 1.11, 21.74 ppm): 16 chemical-shift based assignments, quality = 0.543, support = 2.64, residual support = 10.7: HN THR 95 - QG2 THR 96 6.250% * 31.0778% (0.80 2.42 16.50) = 31.078% kept HN VAL 62 - QG2 THR 61 6.250% * 23.7388% (0.34 4.33 13.30) = 23.739% kept HN THR 95 - QG2 THR 95 6.250% * 19.9748% (0.35 3.60 11.85) = 19.975% kept HN THR 95 - QG2 THR 61 6.250% * 10.2254% (0.90 0.71 0.02) = 10.225% kept HN VAL 62 - QG2 THR 96 6.250% * 4.2461% (0.31 0.86 0.71) = 4.246% kept HN PHE 34 - QG2 THR 96 6.250% * 3.6924% (0.46 0.50 0.41) = 3.692% kept HN THR 95 - QG2 THR 79 6.250% * 2.6113% (0.54 0.30 0.02) = 2.611% kept HN SER 69 - QG2 THR 95 6.250% * 1.3083% (0.31 0.27 0.02) = 1.308% kept HN PHE 34 - QG2 THR 95 6.250% * 1.2414% (0.20 0.39 0.02) = 1.241% kept HN VAL 62 - QG2 THR 95 6.250% * 0.9186% (0.13 0.43 0.02) = 0.919% HN SER 69 - QG2 THR 61 6.250% * 0.2536% (0.79 0.02 0.02) = 0.254% HN SER 69 - QG2 THR 96 6.250% * 0.2269% (0.71 0.02 0.02) = 0.227% HN PHE 34 - QG2 THR 61 6.250% * 0.1655% (0.52 0.02 0.02) = 0.165% HN SER 69 - QG2 THR 79 6.250% * 0.1530% (0.48 0.02 0.02) = 0.153% HN PHE 34 - QG2 THR 79 6.250% * 0.0999% (0.31 0.02 0.02) = 0.100% HN VAL 62 - QG2 THR 79 6.250% * 0.0662% (0.21 0.02 0.02) = 0.066% Peak 159 (8.79, 0.69, 21.70 ppm): 4 chemical-shift based assignments, quality = 0.822, support = 3.54, residual support = 5.54: HN THR 95 - QG2 VAL 94 25.000% * 89.6257% (0.81 3.91 6.17) = 89.626% kept HN SER 69 - QG2 VAL 94 25.000% * 10.1694% (0.94 0.38 0.12) = 10.169% kept HN ASN 57 - QG2 VAL 94 25.000% * 0.1087% (0.19 0.02 0.02) = 0.109% HN PHE 34 - QG2 VAL 94 25.000% * 0.0962% (0.17 0.02 0.02) = 0.096% Peak 160 (8.61, 0.68, 21.70 ppm): 4 chemical-shift based assignments, quality = 0.614, support = 1.43, residual support = 1.97: HN LYS+ 20 - QG2 VAL 94 25.000% * 64.5784% (0.76 1.39 2.57) = 64.578% kept HN SER 85 - QG2 VAL 94 25.000% * 34.2885% (0.36 1.57 0.90) = 34.289% kept HN VAL 80 - QG2 VAL 94 25.000% * 0.8740% (0.19 0.08 0.02) = 0.874% HN THR 39 - QG2 VAL 94 25.000% * 0.2591% (0.21 0.02 0.02) = 0.259% Peak 161 (8.27, 1.17, 21.82 ppm): 5 chemical-shift based assignments, quality = 0.171, support = 2.65, residual support = 10.4: HN THR 106 - QG2 THR 106 20.000% * 96.6420% (0.17 2.74 10.76) = 96.642% kept HN ASN 89 - QG2 THR 106 20.000% * 1.3712% (0.33 0.02 0.02) = 1.371% kept HN ASP- 28 - QG2 THR 106 20.000% * 0.8792% (0.21 0.02 0.02) = 0.879% HN ASP- 115 - QG2 THR 106 20.000% * 0.8207% (0.20 0.02 0.02) = 0.821% HN ALA 91 - QG2 THR 106 20.000% * 0.2869% (0.07 0.02 0.02) = 0.287% Peak 162 (7.99, -0.11, 21.90 ppm): 4 chemical-shift based assignments, quality = 0.944, support = 4.99, residual support = 46.1: HN LEU 43 - QD1 LEU 43 25.000% * 99.5570% (0.95 5.01 46.35) = 99.557% kept HN MET 126 - QD1 LEU 43 25.000% * 0.2624% (0.63 0.02 0.02) = 0.262% HN LYS+ 111 - QD1 LEU 43 25.000% * 0.0903% (0.22 0.02 0.02) = 0.090% HN SER 27 - QD1 LEU 43 25.000% * 0.0903% (0.22 0.02 0.02) = 0.090% Peak 163 (7.80, 1.32, 21.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 164 (7.44, 1.12, 21.77 ppm): 4 chemical-shift based assignments, quality = 0.69, support = 2.91, residual support = 15.5: HN THR 61 - QG2 THR 61 25.000% * 94.4750% (0.69 3.08 16.30) = 94.475% kept HN THR 61 - QG2 THR 96 25.000% * 5.0836% (0.82 0.14 2.44) = 5.084% kept HN THR 61 - QG2 THR 79 25.000% * 0.3044% (0.34 0.02 0.02) = 0.304% HN THR 61 - QG2 THR 95 25.000% * 0.1370% (0.15 0.02 0.02) = 0.137% Peak 165 (7.34, 1.32, 21.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 166 (7.34, -0.11, 21.86 ppm): 7 chemical-shift based assignments, quality = 0.824, support = 1.92, residual support = 6.77: QE PHE 34 - QD1 LEU 43 14.286% * 34.4601% (0.96 1.90 7.25) = 34.460% kept HZ PHE 34 - QD1 LEU 43 14.286% * 30.5889% (0.96 1.69 7.25) = 30.589% kept QD PHE 34 - QD1 LEU 43 14.286% * 28.3331% (0.59 2.53 7.25) = 28.333% kept HN VAL 47 - QD1 LEU 43 14.286% * 4.8750% (0.52 0.50 0.02) = 4.875% kept HN ARG+ 84 - QD1 LEU 43 14.286% * 1.1285% (0.48 0.13 0.02) = 1.128% kept HZ2 TRP 51 - QD1 LEU 43 14.286% * 0.3620% (0.96 0.02 0.02) = 0.362% HE22 GLN 102 - QD1 LEU 43 14.286% * 0.2525% (0.15 0.09 0.02) = 0.252% Peak 167 (7.05, 1.32, 21.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 168 (7.04, -0.10, 21.91 ppm): 2 chemical-shift based assignments, quality = 0.903, support = 1.0, residual support = 3.24: QE PHE 21 - QD1 LEU 43 50.000% * 82.2687% (0.97 1.13 3.81) = 82.269% kept QD TYR 83 - QD1 LEU 43 50.000% * 17.7313% (0.59 0.40 0.63) = 17.731% kept Peak 169 (6.87, -0.11, 21.86 ppm): 3 chemical-shift based assignments, quality = 0.635, support = 1.36, residual support = 3.02: QD PHE 21 - QD1 LEU 43 33.333% * 42.2449% (0.55 1.82 3.81) = 42.245% kept HZ PHE 21 - QD1 LEU 43 33.333% * 33.3640% (0.67 1.19 3.81) = 33.364% kept HD21 ASN 119 - QD1 LEU 43 33.333% * 24.3911% (0.74 0.78 0.57) = 24.391% kept Peak 170 (4.84, 0.70, 21.72 ppm): 3 chemical-shift based assignments, quality = 0.499, support = 2.93, residual support = 7.03: HA THR 96 - QG2 VAL 94 33.333% * 77.2570% (0.55 3.37 8.78) = 77.257% kept HA MET 97 - QG2 VAL 94 33.333% * 21.1816% (0.33 1.54 1.19) = 21.182% kept HA GLU- 107 - QG2 VAL 94 33.333% * 1.5614% (0.11 0.35 0.02) = 1.561% kept Peak 171 (4.79, 1.17, 21.81 ppm): 5 chemical-shift based assignments, quality = 0.184, support = 0.651, residual support = 2.22: HA GLU- 107 - QG2 THR 106 20.000% * 60.9624% (0.17 0.94 3.56) = 60.962% kept HA PRO 116 - QG2 THR 106 20.000% * 20.3661% (0.23 0.22 0.23) = 20.366% kept HA ASP- 115 - QG2 THR 106 20.000% * 15.8001% (0.18 0.22 0.02) = 15.800% kept HA LYS+ 113 - QG2 THR 106 20.000% * 2.4023% (0.31 0.02 0.02) = 2.402% kept HA MET 97 - QG2 THR 106 20.000% * 0.4691% (0.06 0.02 0.02) = 0.469% Not enough quality. Peak unassigned. Peak 172 (4.72, 1.11, 21.83 ppm): 12 chemical-shift based assignments, quality = 0.784, support = 0.313, residual support = 0.0354: HA PRO 31 - QG2 THR 61 8.333% * 25.8501% (0.97 0.36 0.02) = 25.850% kept HA PRO 31 - QG2 THR 96 8.333% * 21.6830% (0.87 0.34 0.02) = 21.683% kept HA2 GLY 30 - QG2 THR 96 8.333% * 20.0159% (0.79 0.35 0.02) = 20.016% kept HA PRO 31 - QG2 THR 79 8.333% * 13.3345% (0.66 0.27 0.14) = 13.334% kept HA2 GLY 30 - QG2 THR 79 8.333% * 12.3093% (0.59 0.28 0.02) = 12.309% kept HA PRO 31 - QG2 THR 95 8.333% * 2.6069% (0.32 0.11 0.02) = 2.607% kept HA2 GLY 30 - QG2 THR 95 8.333% * 2.2815% (0.29 0.11 0.02) = 2.281% kept HA2 GLY 30 - QG2 THR 61 8.333% * 1.2766% (0.87 0.02 0.02) = 1.277% kept HA MET 118 - QG2 THR 61 8.333% * 0.2196% (0.15 0.02 0.02) = 0.220% HA MET 118 - QG2 THR 96 8.333% * 0.1986% (0.14 0.02 0.02) = 0.199% HA MET 118 - QG2 THR 79 8.333% * 0.1505% (0.10 0.02 0.02) = 0.150% HA MET 118 - QG2 THR 95 8.333% * 0.0735% (0.05 0.02 0.02) = 0.074% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 173 (4.52, 1.32, 21.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 182 (4.37, 1.11, 21.80 ppm): 48 chemical-shift based assignments, quality = 0.369, support = 1.67, residual support = 11.8: O T HB THR 61 - QG2 THR 61 2.083% * 44.3457% (0.18 10.0 10.00 1.90 16.30) = 44.346% kept HA LYS+ 60 - QG2 THR 61 2.083% * 24.9235% (0.83 1.0 1.00 2.48 12.45) = 24.924% kept O HA THR 95 - QG2 THR 95 2.083% * 8.6317% (0.04 10.0 1.00 1.72 11.85) = 8.632% kept T HB THR 61 - QG2 THR 96 2.083% * 5.1402% (0.19 1.0 10.00 0.23 2.44) = 5.140% kept HA2 GLY 26 - QG2 THR 61 2.083% * 2.8555% (0.90 1.0 1.00 0.26 0.02) = 2.855% kept HA THR 95 - QG2 THR 96 2.083% * 2.1071% (0.14 1.0 1.00 1.21 16.50) = 2.107% kept T HA ALA 37 - QG2 THR 96 2.083% * 1.8895% (0.78 1.0 10.00 0.02 0.02) = 1.889% kept T HA ALA 37 - QG2 THR 61 2.083% * 1.8717% (0.78 1.0 10.00 0.02 0.02) = 1.872% kept HA SER 88 - QG2 THR 79 2.083% * 1.3518% (0.14 1.0 1.00 0.82 0.02) = 1.352% kept HA THR 95 - QG2 THR 61 2.083% * 1.1286% (0.14 1.0 1.00 0.65 0.02) = 1.129% kept T HA ALA 37 - QG2 THR 79 2.083% * 1.1110% (0.46 1.0 10.00 0.02 0.02) = 1.111% kept T HA ALA 37 - QG2 THR 95 2.083% * 0.5436% (0.23 1.0 10.00 0.02 0.02) = 0.544% HA THR 95 - QG2 THR 79 2.083% * 0.2666% (0.09 1.0 1.00 0.26 0.02) = 0.267% T HB THR 61 - QG2 THR 79 2.083% * 0.2632% (0.11 1.0 10.00 0.02 0.02) = 0.263% HA2 GLY 26 - QG2 THR 96 2.083% * 0.2183% (0.91 1.0 1.00 0.02 0.02) = 0.218% HA THR 38 - QG2 THR 96 2.083% * 0.2183% (0.91 1.0 1.00 0.02 0.02) = 0.218% HA THR 38 - QG2 THR 61 2.083% * 0.2163% (0.90 1.0 1.00 0.02 0.02) = 0.216% HA LYS+ 117 - QG2 THR 96 2.083% * 0.2029% (0.84 1.0 1.00 0.02 0.02) = 0.203% HA LYS+ 60 - QG2 THR 96 2.083% * 0.2029% (0.84 1.0 1.00 0.02 0.23) = 0.203% HA LYS+ 117 - QG2 THR 61 2.083% * 0.2010% (0.83 1.0 1.00 0.02 0.02) = 0.201% HA ASN 57 - QG2 THR 96 2.083% * 0.1811% (0.75 1.0 1.00 0.02 0.02) = 0.181% HA ASN 57 - QG2 THR 61 2.083% * 0.1794% (0.74 1.0 1.00 0.02 0.02) = 0.179% HA1 GLY 26 - QG2 THR 96 2.083% * 0.1554% (0.64 1.0 1.00 0.02 0.02) = 0.155% HA1 GLY 26 - QG2 THR 61 2.083% * 0.1539% (0.64 1.0 1.00 0.02 0.02) = 0.154% HA2 GLY 26 - QG2 THR 79 2.083% * 0.1284% (0.53 1.0 1.00 0.02 0.02) = 0.128% HA THR 38 - QG2 THR 79 2.083% * 0.1284% (0.53 1.0 1.00 0.02 0.02) = 0.128% HA TRP 51 - QG2 THR 96 2.083% * 0.1281% (0.53 1.0 1.00 0.02 0.02) = 0.128% HA TRP 51 - QG2 THR 61 2.083% * 0.1269% (0.53 1.0 1.00 0.02 0.02) = 0.127% HA LYS+ 60 - QG2 THR 79 2.083% * 0.1193% (0.50 1.0 1.00 0.02 0.02) = 0.119% HA LYS+ 117 - QG2 THR 79 2.083% * 0.1193% (0.50 1.0 1.00 0.02 0.02) = 0.119% HA ASN 57 - QG2 THR 79 2.083% * 0.1065% (0.44 1.0 1.00 0.02 0.02) = 0.107% HA1 GLY 26 - QG2 THR 79 2.083% * 0.0914% (0.38 1.0 1.00 0.02 0.02) = 0.091% HA TRP 51 - QG2 THR 79 2.083% * 0.0753% (0.31 1.0 1.00 0.02 0.02) = 0.075% HA2 GLY 26 - QG2 THR 95 2.083% * 0.0628% (0.26 1.0 1.00 0.02 0.02) = 0.063% HA THR 38 - QG2 THR 95 2.083% * 0.0628% (0.26 1.0 1.00 0.02 0.02) = 0.063% HA LYS+ 60 - QG2 THR 95 2.083% * 0.0584% (0.24 1.0 1.00 0.02 0.02) = 0.058% HA LYS+ 117 - QG2 THR 95 2.083% * 0.0584% (0.24 1.0 1.00 0.02 0.02) = 0.058% HA SER 88 - QG2 THR 96 2.083% * 0.0564% (0.23 1.0 1.00 0.02 0.02) = 0.056% HA SER 88 - QG2 THR 61 2.083% * 0.0559% (0.23 1.0 1.00 0.02 0.02) = 0.056% HA ASN 57 - QG2 THR 95 2.083% * 0.0521% (0.22 1.0 1.00 0.02 0.02) = 0.052% HA1 GLY 26 - QG2 THR 95 2.083% * 0.0447% (0.19 1.0 1.00 0.02 0.02) = 0.045% HA TRP 51 - QG2 THR 95 2.083% * 0.0368% (0.15 1.0 1.00 0.02 0.02) = 0.037% HA VAL 94 - QG2 THR 96 2.083% * 0.0349% (0.14 1.0 1.00 0.02 8.78) = 0.035% HA VAL 94 - QG2 THR 61 2.083% * 0.0346% (0.14 1.0 1.00 0.02 0.02) = 0.035% HA VAL 94 - QG2 THR 79 2.083% * 0.0205% (0.09 1.0 1.00 0.02 0.02) = 0.021% HA SER 88 - QG2 THR 95 2.083% * 0.0162% (0.07 1.0 1.00 0.02 0.02) = 0.016% HB THR 61 - QG2 THR 95 2.083% * 0.0129% (0.05 1.0 1.00 0.02 0.02) = 0.013% HA VAL 94 - QG2 THR 95 2.083% * 0.0100% (0.04 1.0 1.00 0.02 6.17) = 0.010% Peak 184 (4.31, 1.17, 21.82 ppm): 7 chemical-shift based assignments, quality = 0.0887, support = 0.94, residual support = 10.1: O T HA THR 106 - QG2 THR 106 14.286% * 93.9246% (0.08 10.0 10.00 1.00 10.76) = 93.925% kept T HA ILE 29 - QG2 THR 106 14.286% * 4.1814% (0.35 1.0 10.00 0.02 0.02) = 4.181% kept T HA VAL 94 - QG2 THR 106 14.286% * 0.9392% (0.08 1.0 10.00 0.02 0.02) = 0.939% HA PRO 112 - QG2 THR 106 14.286% * 0.3991% (0.34 1.0 1.00 0.02 0.02) = 0.399% HA PRO 104 - QG2 THR 106 14.286% * 0.3378% (0.28 1.0 1.00 0.02 0.02) = 0.338% HA LEU 90 - QG2 THR 106 14.286% * 0.1439% (0.12 1.0 1.00 0.02 0.02) = 0.144% HB THR 61 - QG2 THR 106 14.286% * 0.0739% (0.06 1.0 1.00 0.02 0.02) = 0.074% Peak 186 (4.17, 1.17, 21.83 ppm): 5 chemical-shift based assignments, quality = 0.209, support = 0.147, residual support = 0.0197: T HA LYS+ 44 - QG2 THR 106 20.000% * 62.3397% (0.14 10.00 0.11 0.02) = 62.340% kept HA VAL 73 - QG2 THR 106 20.000% * 34.5174% (0.35 1.00 0.23 0.02) = 34.517% kept HA MET 126 - QG2 THR 106 20.000% * 1.5956% (0.19 1.00 0.02 0.02) = 1.596% kept HA GLU- 64 - QG2 THR 106 20.000% * 0.8174% (0.10 1.00 0.02 0.02) = 0.817% HB2 SER 88 - QG2 THR 106 20.000% * 0.7298% (0.09 1.00 0.02 0.02) = 0.730% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 187 (4.11, 1.32, 21.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 9 chemical-shift based assignments, quality = 0.65, support = 1.87, residual support = 8.36: T HB THR 96 - QG2 VAL 94 11.111% * 94.9695% (0.65 10.00 1.93 8.78) = 94.970% kept HA LYS+ 44 - QG2 VAL 94 11.111% * 3.4372% (0.59 1.00 0.77 0.49) = 3.437% kept HA LEU 74 - QG2 VAL 94 11.111% * 1.2270% (0.66 1.00 0.25 0.72) = 1.227% kept HB3 CYS 121 - QG2 VAL 94 11.111% * 0.0971% (0.65 1.00 0.02 0.02) = 0.097% HA VAL 122 - QG2 VAL 94 11.111% * 0.0915% (0.61 1.00 0.02 0.16) = 0.091% HB3 SER 77 - QG2 VAL 94 11.111% * 0.0669% (0.45 1.00 0.02 0.02) = 0.067% HB2 SER 77 - QG2 VAL 94 11.111% * 0.0482% (0.32 1.00 0.02 0.02) = 0.048% HA1 GLY 114 - QG2 VAL 94 11.111% * 0.0407% (0.27 1.00 0.02 0.02) = 0.041% HA ILE 48 - QG2 VAL 94 11.111% * 0.0219% (0.15 1.00 0.02 0.02) = 0.022% Peak 196 (3.73, -0.11, 21.88 ppm): 5 chemical-shift based assignments, quality = 0.925, support = 3.3, residual support = 42.3: T HA LEU 43 - QD1 LEU 43 20.000% * 90.7078% (0.94 10.00 3.45 46.35) = 90.708% kept HA ILE 48 - QD1 LEU 43 20.000% * 7.7387% (0.92 1.00 1.74 2.14) = 7.739% kept HA LYS+ 44 - QD1 LEU 43 20.000% * 1.4643% (0.14 1.00 2.10 6.50) = 1.464% kept HD3 PRO 104 - QD1 LEU 43 20.000% * 0.0683% (0.71 1.00 0.02 0.02) = 0.068% HB3 SER 27 - QD1 LEU 43 20.000% * 0.0209% (0.22 1.00 0.02 0.02) = 0.021% Peak 204 (2.11, -0.11, 21.86 ppm): 12 chemical-shift based assignments, quality = 0.807, support = 3.6, residual support = 45.7: O T HB3 LEU 43 - QD1 LEU 43 8.333% * 71.6392% (0.99 10.0 10.00 3.36 46.35) = 71.639% kept O T HB2 LEU 43 - QD1 LEU 43 8.333% * 26.9468% (0.37 10.0 10.00 4.44 46.35) = 26.947% kept HA1 GLY 58 - QD1 LEU 43 8.333% * 0.5792% (0.20 1.0 1.00 0.81 0.21) = 0.579% HB3 GLU- 75 - QD1 LEU 43 8.333% * 0.5561% (0.95 1.0 1.00 0.16 0.02) = 0.556% HG3 GLU- 56 - QD1 LEU 43 8.333% * 0.0718% (0.99 1.0 1.00 0.02 0.02) = 0.072% HB VAL 65 - QD1 LEU 43 8.333% * 0.0521% (0.72 1.0 1.00 0.02 0.02) = 0.052% HB VAL 87 - QD1 LEU 43 8.333% * 0.0493% (0.68 1.0 1.00 0.02 0.02) = 0.049% HB VAL 125 - QD1 LEU 43 8.333% * 0.0295% (0.41 1.0 1.00 0.02 0.02) = 0.030% HB2 LYS+ 110 - QD1 LEU 43 8.333% * 0.0222% (0.31 1.0 1.00 0.02 0.02) = 0.022% HD3 LYS+ 110 - QD1 LEU 43 8.333% * 0.0179% (0.25 1.0 1.00 0.02 0.02) = 0.018% HB2 ASP- 28 - QD1 LEU 43 8.333% * 0.0179% (0.25 1.0 1.00 0.02 0.02) = 0.018% HB VAL 47 - QD1 LEU 43 8.333% * 0.0179% (0.25 1.0 1.00 0.02 0.02) = 0.018% Peak 214 (1.62, -0.11, 21.89 ppm): 10 chemical-shift based assignments, quality = 0.748, support = 1.49, residual support = 1.34: HB2 LEU 67 - QD1 LEU 43 10.000% * 58.9595% (0.78 2.27 2.27) = 58.960% kept HD3 LYS+ 32 - QD1 LEU 43 10.000% * 12.3290% (0.59 0.63 0.02) = 12.329% kept HG2 LYS+ 110 - QD1 LEU 43 10.000% * 8.5735% (0.87 0.30 0.02) = 8.573% kept HG3 LYS+ 110 - QD1 LEU 43 10.000% * 8.3779% (0.84 0.30 0.02) = 8.378% kept HG12 ILE 101 - QD1 LEU 43 10.000% * 7.1169% (0.78 0.27 0.02) = 7.117% kept HB ILE 100 - QD1 LEU 43 10.000% * 2.2975% (0.78 0.09 0.02) = 2.297% kept HB3 LYS+ 32 - QD1 LEU 43 10.000% * 0.7634% (0.17 0.13 0.02) = 0.763% HG3 LYS+ 78 - QD1 LEU 43 10.000% * 0.6419% (0.96 0.02 0.02) = 0.642% HG LEU 23 - QD1 LEU 43 10.000% * 0.4702% (0.70 0.02 0.02) = 0.470% HB3 LEU 17 - QD1 LEU 43 10.000% * 0.4702% (0.70 0.02 0.02) = 0.470% Peak 224 (1.42, -0.11, 21.88 ppm): 11 chemical-shift based assignments, quality = 0.743, support = 1.31, residual support = 4.39: T QG2 THR 38 - QD1 LEU 43 9.091% * 60.5013% (0.75 10.00 1.04 3.96) = 60.501% kept HD3 LYS+ 44 - QD1 LEU 43 9.091% * 15.4163% (0.98 1.00 2.02 6.50) = 15.416% kept QB ALA 42 - QD1 LEU 43 9.091% * 11.1904% (0.67 1.00 2.14 5.91) = 11.190% kept HG LEU 74 - QD1 LEU 43 9.091% * 4.9611% (0.37 1.00 1.73 6.55) = 4.961% kept HB3 LYS+ 60 - QD1 LEU 43 9.091% * 3.4013% (0.60 1.00 0.74 0.30) = 3.401% kept QB ALA 37 - QD1 LEU 43 9.091% * 2.8798% (0.75 1.00 0.49 0.02) = 2.880% kept HD3 LYS+ 20 - QD1 LEU 43 9.091% * 1.1573% (0.22 1.00 0.68 0.02) = 1.157% kept HG3 LYS+ 108 - QD1 LEU 43 9.091% * 0.1525% (0.98 1.00 0.02 0.02) = 0.153% HD3 LYS+ 113 - QD1 LEU 43 9.091% * 0.1323% (0.85 1.00 0.02 0.02) = 0.132% HG3 LYS+ 55 - QD1 LEU 43 9.091% * 0.1274% (0.82 1.00 0.02 0.02) = 0.127% HG LEU 90 - QD1 LEU 43 9.091% * 0.0802% (0.52 1.00 0.02 0.02) = 0.080% Peak 227 (1.32, 1.32, 21.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 245 (1.17, 1.17, 21.82 ppm): 1 diagonal assignment: QG2 THR 106 - QG2 THR 106 (0.35) kept Peak 256 (1.16, -0.11, 21.88 ppm): 8 chemical-shift based assignments, quality = 0.503, support = 2.88, residual support = 10.7: T HB ILE 68 - QD1 LEU 43 12.500% * 51.9456% (0.19 10.00 4.27 15.89) = 51.946% kept HG LEU 74 - QD1 LEU 43 12.500% * 22.3499% (0.97 1.00 1.73 6.55) = 22.350% kept HB2 LEU 74 - QD1 LEU 43 12.500% * 14.7382% (0.71 1.00 1.55 6.55) = 14.738% kept HG3 PRO 59 - QD1 LEU 43 12.500% * 5.4727% (0.98 1.00 0.42 0.02) = 5.473% kept HB3 LYS+ 66 - QD1 LEU 43 12.500% * 3.4730% (0.67 1.00 0.39 0.02) = 3.473% kept QB ALA 33 - QD1 LEU 43 12.500% * 1.7609% (0.15 1.00 0.87 0.02) = 1.761% kept QG2 THR 106 - QD1 LEU 43 12.500% * 0.2192% (0.82 1.00 0.02 0.02) = 0.219% HG3 LYS+ 32 - QD1 LEU 43 12.500% * 0.0405% (0.15 1.00 0.02 0.02) = 0.041% Peak 258 (1.01, 1.17, 21.82 ppm): 4 chemical-shift based assignments, quality = 0.292, support = 0.413, residual support = 0.745: T HG LEU 74 - QG2 THR 106 25.000% * 98.8968% (0.29 10.00 0.42 0.75) = 98.897% kept QG1 VAL 99 - QG2 THR 106 25.000% * 0.5354% (0.33 1.00 0.02 0.02) = 0.535% HG13 ILE 100 - QG2 THR 106 25.000% * 0.4443% (0.28 1.00 0.02 0.02) = 0.444% HG3 LYS+ 20 - QG2 THR 106 25.000% * 0.1235% (0.08 1.00 0.02 0.02) = 0.124% Peak 260 (0.92, -0.11, 21.79 ppm): 13 chemical-shift based assignments, quality = 0.581, support = 1.17, residual support = 5.98: HG LEU 74 - QD1 LEU 43 7.692% * 28.5864% (0.49 1.73 6.55) = 28.586% kept QD1 LEU 67 - QD1 LEU 43 7.692% * 28.5528% (0.59 1.43 2.27) = 28.553% kept HG13 ILE 68 - QD1 LEU 43 7.692% * 21.7300% (0.65 0.99 15.89) = 21.730% kept QG2 VAL 73 - QD1 LEU 43 7.692% * 8.4447% (0.77 0.32 0.02) = 8.445% kept QG2 VAL 87 - QD1 LEU 43 7.692% * 5.1723% (0.62 0.25 0.02) = 5.172% kept QG1 VAL 47 - QD1 LEU 43 7.692% * 3.5306% (0.53 0.20 0.02) = 3.531% kept QG2 VAL 105 - QD1 LEU 43 7.692% * 3.1068% (0.49 0.19 0.02) = 3.107% kept QD1 LEU 17 - QD1 LEU 43 7.692% * 0.2467% (0.36 0.02 0.02) = 0.247% QG1 VAL 105 - QD1 LEU 43 7.692% * 0.2262% (0.33 0.02 0.02) = 0.226% QG1 VAL 80 - QD1 LEU 43 7.692% * 0.1372% (0.20 0.02 0.02) = 0.137% HG12 ILE 29 - QD1 LEU 43 7.692% * 0.0964% (0.14 0.02 0.02) = 0.096% QG2 VAL 62 - QD1 LEU 43 7.692% * 0.0849% (0.13 0.02 0.62) = 0.085% QG1 VAL 122 - QD1 LEU 43 7.692% * 0.0849% (0.13 0.02 0.02) = 0.085% Peak 266 (0.70, -0.10, 21.87 ppm): 9 chemical-shift based assignments, quality = 0.854, support = 0.697, residual support = 1.02: HG LEU 67 - QD1 LEU 43 11.111% * 37.6340% (0.96 1.08 2.27) = 37.634% kept QD1 ILE 19 - QD1 LEU 43 11.111% * 17.2575% (0.86 0.55 0.02) = 17.258% kept HG12 ILE 19 - QD1 LEU 43 11.111% * 15.5923% (0.76 0.57 0.02) = 15.592% kept HG2 PRO 59 - QD1 LEU 43 11.111% * 14.3566% (0.94 0.42 0.02) = 14.357% kept QG2 ILE 48 - QD1 LEU 43 11.111% * 7.3254% (0.56 0.36 2.14) = 7.325% kept QG2 ILE 101 - QD1 LEU 43 11.111% * 6.9312% (0.68 0.28 0.02) = 6.931% kept QG2 VAL 94 - QD1 LEU 43 11.111% * 0.5767% (0.80 0.02 0.02) = 0.577% QG1 VAL 62 - QD1 LEU 43 11.111% * 0.2002% (0.28 0.02 0.62) = 0.200% QG2 VAL 40 - QD1 LEU 43 11.111% * 0.1261% (0.17 0.02 0.02) = 0.126% Peak 272 (0.48, -0.11, 21.89 ppm): 1 chemical-shift based assignment, quality = 0.754, support = 3.65, residual support = 46.4: O QD2 LEU 43 - QD1 LEU 43 100.000% *100.0000% (0.75 10.0 3.65 46.35) = 100.000% kept Peak 280 (-0.10, -0.11, 21.88 ppm): 1 diagonal assignment: QD1 LEU 43 - QD1 LEU 43 (0.98) kept Peak 283 (8.95, 1.09, 21.50 ppm): 12 chemical-shift based assignments, quality = 0.162, support = 2.32, residual support = 9.21: HN THR 96 - QG2 THR 95 8.333% * 39.1975% (0.21 3.35 16.50) = 39.197% kept HN THR 96 - QG2 THR 96 8.333% * 14.5606% (0.08 3.20 15.38) = 14.561% kept HN THR 96 - QG2 THR 61 8.333% * 14.0606% (0.16 1.65 2.44) = 14.061% kept HN MET 97 - QG2 THR 95 8.333% * 8.7739% (0.14 1.12 0.28) = 8.774% kept HN ARG+ 22 - QG2 THR 95 8.333% * 8.1237% (0.22 0.68 0.21) = 8.124% kept HN MET 97 - QG2 THR 96 8.333% * 5.6887% (0.06 1.86 2.01) = 5.689% kept HN PHE 21 - QG2 THR 61 8.333% * 3.8971% (0.14 0.49 0.02) = 3.897% kept HN MET 97 - QG2 THR 61 8.333% * 3.6385% (0.10 0.64 0.02) = 3.639% kept HN ARG+ 22 - QG2 THR 96 8.333% * 1.5830% (0.09 0.34 0.02) = 1.583% kept HN PHE 21 - QG2 THR 95 8.333% * 0.2172% (0.20 0.02 0.02) = 0.217% HN ARG+ 22 - QG2 THR 61 8.333% * 0.1747% (0.16 0.02 0.02) = 0.175% HN PHE 21 - QG2 THR 96 8.333% * 0.0846% (0.08 0.02 0.02) = 0.085% Peak 284 (8.80, 0.82, 21.52 ppm): 5 chemical-shift based assignments, quality = 0.39, support = 1.46, residual support = 3.01: HN THR 95 - QG1 VAL 94 20.000% * 47.7868% (0.28 2.46 6.17) = 47.787% kept HN LYS+ 60 - QG1 VAL 94 20.000% * 21.4879% (0.38 0.82 0.20) = 21.488% kept HN ASN 57 - QG1 VAL 94 20.000% * 15.5231% (0.73 0.31 0.02) = 15.523% kept HN SER 69 - QG1 VAL 94 20.000% * 14.3540% (0.45 0.46 0.12) = 14.354% kept HN LYS+ 32 - QG1 VAL 94 20.000% * 0.8483% (0.61 0.02 0.02) = 0.848% Peak 285 (8.60, 1.42, 21.47 ppm): 4 chemical-shift based assignments, quality = 0.498, support = 1.72, residual support = 4.99: HN THR 39 - QG2 THR 38 25.000% * 58.8191% (0.52 2.32 7.57) = 58.819% kept HN VAL 80 - QG2 THR 38 25.000% * 22.5581% (0.49 0.94 1.79) = 22.558% kept HN VAL 73 - QG2 THR 38 25.000% * 15.7726% (0.37 0.88 0.84) = 15.773% kept HN LYS+ 20 - QG2 THR 38 25.000% * 2.8501% (0.75 0.08 0.02) = 2.850% kept Peak 286 (8.47, 4.18, 62.80 ppm): 5 chemical-shift based assignments, quality = 0.503, support = 3.35, residual support = 10.9: O HN LEU 74 - HA VAL 73 20.000% * 91.9562% (0.49 10.0 3.61 11.82) = 91.956% kept HN LYS+ 113 - HA VAL 73 20.000% * 3.2397% (0.79 1.0 0.43 0.02) = 3.240% kept HN GLY 92 - HA VAL 73 20.000% * 3.0973% (0.83 1.0 0.40 0.02) = 3.097% kept HN GLU- 18 - HA VAL 73 20.000% * 1.0555% (0.49 1.0 0.23 0.02) = 1.055% kept HN GLU- 107 - HA VAL 73 20.000% * 0.6513% (0.85 1.0 0.08 0.02) = 0.651% Peak 287 (8.23, 4.38, 63.07 ppm): 9 chemical-shift based assignments, quality = 0.206, support = 1.28, residual support = 2.05: HN VAL 105 - HA THR 95 11.111% * 34.7867% (0.15 2.11 1.20) = 34.787% kept HN VAL 94 - HA THR 95 11.111% * 25.8569% (0.16 1.44 6.17) = 25.857% kept HN LEU 67 - HA THR 95 11.111% * 20.4372% (0.32 0.57 0.16) = 20.437% kept HN GLY 58 - HA THR 95 11.111% * 14.0896% (0.33 0.38 0.02) = 14.090% kept HN THR 106 - HA THR 95 11.111% * 2.1353% (0.16 0.12 0.02) = 2.135% kept HN GLU- 45 - HA THR 95 11.111% * 0.9597% (0.08 0.10 0.02) = 0.960% HN LYS+ 81 - HA THR 95 11.111% * 0.7216% (0.32 0.02 0.02) = 0.722% HN SER 49 - HA THR 95 11.111% * 0.7105% (0.31 0.02 0.02) = 0.710% HN ASP- 115 - HA THR 95 11.111% * 0.3027% (0.13 0.02 0.02) = 0.303% 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 = 0.914, support = 2.14, residual support = 4.95: HN VAL 94 - QG1 VAL 94 10.000% * 48.8167% (0.99 3.12 9.60) = 48.817% kept HN VAL 105 - QG1 VAL 94 10.000% * 23.5550% (0.99 1.51 0.94) = 23.555% kept HN GLU- 45 - QG1 VAL 94 10.000% * 17.0939% (0.89 1.22 0.24) = 17.094% kept HN LYS+ 117 - QG1 VAL 94 10.000% * 6.1596% (0.48 0.81 0.02) = 6.160% kept HN GLY 58 - QG1 VAL 94 10.000% * 2.5500% (0.48 0.33 0.21) = 2.550% kept HN ALA 33 - QG1 VAL 94 10.000% * 0.9880% (0.28 0.23 0.23) = 0.988% HN LEU 67 - QG1 VAL 94 10.000% * 0.4618% (0.37 0.08 0.02) = 0.462% HN SER 49 - QG1 VAL 94 10.000% * 0.2026% (0.64 0.02 0.02) = 0.203% HN LYS+ 81 - QG1 VAL 94 10.000% * 0.1175% (0.37 0.02 0.02) = 0.118% HN ASN 119 - QG1 VAL 94 10.000% * 0.0549% (0.17 0.02 0.02) = 0.055% Peak 290 (8.08, 0.81, 21.29 ppm): 4 chemical-shift based assignments, quality = 0.42, support = 0.191, residual support = 0.025: HN LYS+ 110 - QG1 VAL 94 25.000% * 57.3956% (0.44 0.24 0.02) = 57.396% kept HN CYS 121 - QG1 VAL 94 25.000% * 32.5728% (0.44 0.14 0.02) = 32.573% kept HN MET 118 - QG1 VAL 94 25.000% * 6.4987% (0.16 0.08 0.02) = 6.499% kept HN VAL 122 - QG1 VAL 94 25.000% * 3.5329% (0.33 0.02 0.16) = 3.533% kept Not enough support, support cutoff is 0.25 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): 6 chemical-shift based assignments, quality = 0.604, support = 1.68, residual support = 3.68: QD PHE 34 - QG2 THR 38 16.667% * 34.5558% (0.49 2.15 3.71) = 34.556% kept HZ PHE 34 - QG2 THR 38 16.667% * 33.9436% (0.67 1.53 3.71) = 33.944% kept QE PHE 34 - QG2 THR 38 16.667% * 30.5022% (0.67 1.38 3.71) = 30.502% kept HZ2 TRP 51 - QG2 THR 38 16.667% * 0.4431% (0.67 0.02 0.02) = 0.443% HN VAL 47 - QG2 THR 38 16.667% * 0.2866% (0.44 0.02 0.02) = 0.287% HN ARG+ 84 - QG2 THR 38 16.667% * 0.2687% (0.41 0.02 0.02) = 0.269% Peak 293 (4.99, 4.18, 62.74 ppm): 4 chemical-shift based assignments, quality = 0.518, support = 2.73, residual support = 6.93: HA ILE 68 - HA VAL 73 25.000% * 99.4656% (0.52 2.75 6.96) = 99.466% kept HA PHE 34 - HA VAL 73 25.000% * 0.3232% (0.23 0.02 0.02) = 0.323% HA ILE 68 - HA LYS+ 110 25.000% * 0.1460% (0.10 0.02 0.02) = 0.146% HA PHE 34 - HA LYS+ 110 25.000% * 0.0652% (0.05 0.02 0.02) = 0.065% Peak 294 (4.79, 0.83, 21.45 ppm): 4 chemical-shift based assignments, quality = 0.847, support = 0.523, residual support = 0.742: HA LYS+ 113 - QG1 VAL 94 25.000% * 45.9370% (0.93 0.64 1.47) = 45.937% kept HA ASP- 115 - QG1 VAL 94 25.000% * 29.9271% (0.75 0.52 0.10) = 29.927% kept HA PRO 116 - QG1 VAL 94 25.000% * 22.3024% (0.86 0.33 0.16) = 22.302% kept HA GLU- 107 - QG1 VAL 94 25.000% * 1.8335% (0.23 0.10 0.02) = 1.834% kept Peak 295 (4.28, 0.82, 21.51 ppm): 13 chemical-shift based assignments, quality = 0.842, support = 1.36, residual support = 1.31: HD3 PRO 59 - QG1 VAL 94 7.692% * 33.7934% (0.89 2.39 1.98) = 33.793% kept HA ALA 91 - QG1 VAL 94 7.692% * 21.2121% (0.92 1.46 2.34) = 21.212% kept HA THR 106 - QG1 VAL 94 7.692% * 10.6308% (0.92 0.73 0.02) = 10.631% kept HA SER 85 - QG1 VAL 94 7.692% * 6.9144% (0.89 0.49 0.90) = 6.914% kept HA PRO 104 - QG1 VAL 94 7.692% * 5.6454% (0.34 1.05 1.36) = 5.645% kept HA VAL 65 - QG1 VAL 94 7.692% * 5.4582% (0.83 0.41 0.02) = 5.458% kept HA ARG+ 84 - QG1 VAL 94 7.692% * 5.2392% (0.80 0.41 0.02) = 5.239% kept HA LEU 90 - QG1 VAL 94 7.692% * 4.5290% (0.80 0.36 0.02) = 4.529% kept HA PRO 52 - QG1 VAL 94 7.692% * 3.9093% (0.89 0.28 0.02) = 3.909% kept HA GLU- 75 - QG1 VAL 94 7.692% * 1.4515% (0.48 0.19 0.02) = 1.451% kept HA2 GLY 114 - QG1 VAL 94 7.692% * 1.0864% (0.20 0.35 0.02) = 1.086% kept HA GLU- 56 - QG1 VAL 94 7.692% * 0.0878% (0.28 0.02 0.02) = 0.088% HA ILE 29 - QG1 VAL 94 7.692% * 0.0427% (0.13 0.02 0.02) = 0.043% Peak 297 (4.03, 1.42, 21.49 ppm): 5 chemical-shift based assignments, quality = 0.624, support = 1.72, residual support = 8.96: O T HB THR 38 - QG2 THR 38 20.000% * 58.2303% (0.60 10.0 10.00 2.01 14.93) = 58.230% kept T HA LYS+ 44 - QG2 THR 38 20.000% * 41.6773% (0.66 1.0 10.00 1.31 0.65) = 41.677% kept HB3 SER 77 - QG2 THR 38 20.000% * 0.0453% (0.47 1.0 1.00 0.02 0.02) = 0.045% HB3 SER 85 - QG2 THR 38 20.000% * 0.0380% (0.39 1.0 1.00 0.02 0.02) = 0.038% HB THR 39 - QG2 THR 38 20.000% * 0.0091% (0.09 1.0 1.00 0.02 7.57) = 0.009% Peak 298 (4.00, 1.08, 21.52 ppm): 24 chemical-shift based assignments, quality = 0.177, support = 1.23, residual support = 10.8: O HB THR 95 - QG2 THR 95 4.167% * 88.8319% (0.18 10.0 1.35 11.85) = 88.832% kept HA LYS+ 44 - QG2 THR 95 4.167% * 1.9512% (0.27 1.0 0.21 0.02) = 1.951% kept HB THR 39 - QG2 THR 79 4.167% * 1.5345% (0.11 1.0 0.38 0.23) = 1.535% kept HB THR 95 - QG2 THR 61 4.167% * 1.4844% (0.11 1.0 0.38 0.02) = 1.484% kept HB THR 95 - QG2 THR 96 4.167% * 1.3545% (0.05 1.0 0.73 16.50) = 1.354% kept HB THR 39 - QG2 THR 95 4.167% * 1.1939% (0.27 1.0 0.13 0.02) = 1.194% kept HB3 SER 77 - QG2 THR 96 4.167% * 1.0592% (0.07 1.0 0.42 0.02) = 1.059% kept HB3 SER 77 - QG2 THR 95 4.167% * 0.8997% (0.25 1.0 0.10 0.02) = 0.900% HB THR 38 - QG2 THR 95 4.167% * 0.4671% (0.10 1.0 0.13 0.02) = 0.467% HB THR 95 - QG2 THR 79 4.167% * 0.2298% (0.08 1.0 0.08 0.02) = 0.230% HA1 GLY 92 - QG2 THR 95 4.167% * 0.1312% (0.18 1.0 0.02 0.02) = 0.131% HB THR 39 - QG2 THR 61 4.167% * 0.1140% (0.16 1.0 0.02 0.02) = 0.114% HA LYS+ 44 - QG2 THR 61 4.167% * 0.1135% (0.16 1.0 0.02 0.02) = 0.114% HB3 SER 77 - QG2 THR 61 4.167% * 0.1061% (0.15 1.0 0.02 0.02) = 0.106% HA LYS+ 44 - QG2 THR 79 4.167% * 0.0809% (0.11 1.0 0.02 0.02) = 0.081% HA1 GLY 92 - QG2 THR 61 4.167% * 0.0784% (0.11 1.0 0.02 0.02) = 0.078% HB3 SER 77 - QG2 THR 79 4.167% * 0.0757% (0.11 1.0 0.02 0.02) = 0.076% HA1 GLY 92 - QG2 THR 79 4.167% * 0.0559% (0.08 1.0 0.02 0.02) = 0.056% HB THR 39 - QG2 THR 96 4.167% * 0.0538% (0.08 1.0 0.02 0.02) = 0.054% HA LYS+ 44 - QG2 THR 96 4.167% * 0.0536% (0.08 1.0 0.02 0.02) = 0.054% HB THR 38 - QG2 THR 61 4.167% * 0.0429% (0.06 1.0 0.02 0.02) = 0.043% HA1 GLY 92 - QG2 THR 96 4.167% * 0.0370% (0.05 1.0 0.02 0.02) = 0.037% HB THR 38 - QG2 THR 79 4.167% * 0.0306% (0.04 1.0 0.02 0.02) = 0.031% HB THR 38 - QG2 THR 96 4.167% * 0.0202% (0.03 1.0 0.02 0.02) = 0.020% 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): 21 chemical-shift based assignments, quality = 0.102, support = 0.563, residual support = 0.177: HB VAL 80 - QG2 THR 61 4.762% * 41.3981% (0.11 0.85 0.30) = 41.398% kept HB VAL 80 - QG2 THR 95 4.762% * 19.2521% (0.18 0.24 0.02) = 19.252% kept HA1 GLY 58 - QG2 THR 61 4.762% * 16.8156% (0.05 0.82 0.27) = 16.816% kept HA1 GLY 58 - QG2 THR 95 4.762% * 6.3650% (0.08 0.19 0.02) = 6.365% kept HB VAL 80 - QG2 THR 96 4.762% * 4.4561% (0.05 0.18 0.02) = 4.456% kept HG2 GLU- 56 - QG2 THR 61 4.762% * 4.3753% (0.09 0.11 0.02) = 4.375% kept HG3 GLU- 75 - QG2 THR 96 4.762% * 1.9768% (0.03 0.15 0.02) = 1.977% kept HG2 GLU- 56 - QG2 THR 95 4.762% * 1.3429% (0.15 0.02 0.02) = 1.343% kept HG3 GLU- 75 - QG2 THR 95 4.762% * 0.8458% (0.10 0.02 0.02) = 0.846% HG3 GLU- 75 - QG2 THR 61 4.762% * 0.5160% (0.06 0.02 0.02) = 0.516% HB3 PRO 52 - QG2 THR 95 4.762% * 0.4962% (0.06 0.02 0.02) = 0.496% HG2 GLU- 56 - QG2 THR 96 4.762% * 0.4054% (0.05 0.02 0.02) = 0.405% HG3 MET 118 - QG2 THR 95 4.762% * 0.3579% (0.04 0.02 0.02) = 0.358% HB3 PRO 52 - QG2 THR 61 4.762% * 0.3027% (0.03 0.02 0.02) = 0.303% HG3 MET 118 - QG2 THR 61 4.762% * 0.2183% (0.02 0.02 0.02) = 0.218% HG3 GLU- 18 - QG2 THR 95 4.762% * 0.2176% (0.02 0.02 0.32) = 0.218% HA1 GLY 58 - QG2 THR 96 4.762% * 0.2019% (0.02 0.02 0.02) = 0.202% HB3 PRO 52 - QG2 THR 96 4.762% * 0.1498% (0.02 0.02 0.02) = 0.150% HG3 GLU- 18 - QG2 THR 61 4.762% * 0.1327% (0.01 0.02 0.02) = 0.133% HG3 MET 118 - QG2 THR 96 4.762% * 0.1080% (0.01 0.02 0.02) = 0.108% HG3 GLU- 18 - QG2 THR 96 4.762% * 0.0657% (0.01 0.02 5.98) = 0.066% Not enough quality. Peak unassigned. Peak 301 (2.19, 4.38, 63.05 ppm): 14 chemical-shift based assignments, quality = 0.264, support = 1.12, residual support = 5.05: T HB3 PRO 104 - HA THR 95 7.143% * 93.8167% (0.28 10.00 1.13 5.19) = 93.817% kept HG2 PRO 104 - HA THR 95 7.143% * 3.4599% (0.07 1.00 1.62 5.19) = 3.460% kept HA1 GLY 58 - HA THR 95 7.143% * 1.6344% (0.10 1.00 0.55 0.02) = 1.634% kept HB VAL 99 - HA THR 95 7.143% * 0.1920% (0.32 1.00 0.02 0.02) = 0.192% HG2 MET 126 - HA THR 95 7.143% * 0.1772% (0.29 1.00 0.02 0.02) = 0.177% HB2 LYS+ 113 - HA THR 95 7.143% * 0.1467% (0.24 1.00 0.02 0.30) = 0.147% HB2 ASP- 82 - HA THR 95 7.143% * 0.1319% (0.22 1.00 0.02 0.02) = 0.132% HG2 GLN 102 - HA THR 95 7.143% * 0.1242% (0.21 1.00 0.02 0.02) = 0.124% HG3 GLU- 54 - HA THR 95 7.143% * 0.1164% (0.19 1.00 0.02 0.02) = 0.116% HG3 MET 126 - HA THR 95 7.143% * 0.0534% (0.09 1.00 0.02 0.02) = 0.053% HB3 GLU- 75 - HA THR 95 7.143% * 0.0490% (0.08 1.00 0.02 0.02) = 0.049% HG3 GLU- 109 - HA THR 95 7.143% * 0.0427% (0.07 1.00 0.02 0.02) = 0.043% HB2 GLU- 50 - HA THR 95 7.143% * 0.0296% (0.05 1.00 0.02 0.02) = 0.030% HG3 GLU- 107 - HA THR 95 7.143% * 0.0260% (0.04 1.00 0.02 0.02) = 0.026% Peak 311 (1.42, 1.42, 21.48 ppm): 1 diagonal assignment: QG2 THR 38 - QG2 THR 38 (0.67) kept Peak 328 (0.92, 4.38, 62.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 1 diagonal assignment: QG2 VAL 94 - QG2 VAL 94 (0.59) kept Peak 362 (9.09, 4.19, 62.54 ppm): 4 chemical-shift based assignments, quality = 0.0946, support = 0.02, residual support = 0.02: HN LYS+ 66 - HA VAL 73 25.000% * 36.8350% (0.12 0.02 0.02) = 36.835% kept HN GLU- 54 - HA VAL 73 25.000% * 30.7672% (0.10 0.02 0.02) = 30.767% kept HN LYS+ 66 - HA LYS+ 110 25.000% * 17.6529% (0.06 0.02 0.02) = 17.653% kept HN GLU- 54 - HA LYS+ 110 25.000% * 14.7449% (0.05 0.02 0.02) = 14.745% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 363 (8.44, 4.01, 62.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 364 (8.34, 4.06, 62.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 365 (8.27, 4.13, 62.46 ppm): 5 chemical-shift based assignments, quality = 0.16, support = 2.7, residual support = 7.8: O HN THR 106 - HA VAL 105 20.000% * 99.5263% (0.16 10.0 2.72 7.84) = 99.526% kept HN ASN 89 - HA VAL 105 20.000% * 0.1934% (0.31 1.0 0.02 0.02) = 0.193% HN ASP- 28 - HA VAL 105 20.000% * 0.1240% (0.20 1.0 0.02 0.02) = 0.124% HN ASP- 115 - HA VAL 105 20.000% * 0.1158% (0.19 1.0 0.02 0.02) = 0.116% HN ALA 91 - HA VAL 105 20.000% * 0.0405% (0.07 1.0 0.02 0.02) = 0.040% Peak 366 (8.07, 4.01, 62.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 367 (7.80, 4.16, 62.61 ppm): 4 chemical-shift based assignments, quality = 0.188, support = 0.0892, residual support = 0.02: HN THR 46 - HA VAL 73 25.000% * 67.9720% (0.19 0.12 0.02) = 67.972% kept HN ALA 93 - HA VAL 73 25.000% * 12.3340% (0.21 0.02 0.02) = 12.334% kept HN VAL 87 - HA VAL 73 25.000% * 11.5900% (0.20 0.02 0.02) = 11.590% kept HN LYS+ 55 - HA VAL 73 25.000% * 8.1040% (0.14 0.02 0.02) = 8.104% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 368 (7.58, 0.70, 21.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 372 (4.33, 0.92, 21.14 ppm): 12 chemical-shift based assignments, quality = 0.357, support = 0.0405, residual support = 0.128: HA LYS+ 117 - QG2 VAL 87 8.333% * 13.0420% (0.10 0.12 0.02) = 13.042% kept HA VAL 94 - QG2 VAL 105 8.333% * 11.7243% (0.57 0.02 0.94) = 11.724% kept HA VAL 94 - QG2 VAL 87 8.333% * 11.2979% (0.55 0.02 0.02) = 11.298% kept HB THR 61 - QG2 VAL 105 8.333% * 11.0171% (0.53 0.02 0.02) = 11.017% kept HB THR 61 - QG2 VAL 87 8.333% * 10.6164% (0.51 0.02 0.02) = 10.616% kept HA LYS+ 117 - QG2 VAL 105 8.333% * 10.1614% (0.11 0.09 0.02) = 10.161% kept HA PRO 112 - QG2 VAL 105 8.333% * 7.7034% (0.37 0.02 0.02) = 7.703% kept HA PRO 112 - QG2 VAL 87 8.333% * 7.4233% (0.36 0.02 0.02) = 7.423% kept HA ILE 29 - QG2 VAL 105 8.333% * 4.3324% (0.21 0.02 0.02) = 4.332% kept HA1 GLY 26 - QG2 VAL 105 8.333% * 4.3324% (0.21 0.02 0.02) = 4.332% kept HA1 GLY 26 - QG2 VAL 87 8.333% * 4.1748% (0.20 0.02 0.02) = 4.175% kept HA ILE 29 - QG2 VAL 87 8.333% * 4.1748% (0.20 0.02 0.02) = 4.175% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 374 (4.17, 4.16, 62.60 ppm): 1 diagonal assignment: HA VAL 73 - HA VAL 73 (0.21) kept Peak 377 (4.01, 4.00, 62.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 379 (4.01, 0.82, 21.27 ppm): 6 chemical-shift based assignments, quality = 0.346, support = 0.612, residual support = 1.47: HA LYS+ 44 - QG1 VAL 94 16.667% * 54.9112% (0.46 0.66 0.49) = 54.911% kept HB THR 95 - QG1 VAL 94 16.667% * 19.2661% (0.10 1.02 6.17) = 19.266% kept HB THR 38 - QG1 VAL 94 16.667% * 9.2584% (0.41 0.13 0.02) = 9.258% kept HA1 GLY 92 - QG1 VAL 94 16.667% * 7.9674% (0.10 0.42 0.02) = 7.967% kept HB THR 39 - QG1 VAL 94 16.667% * 7.1811% (0.30 0.13 0.02) = 7.181% kept HB3 SER 77 - QG1 VAL 94 16.667% * 1.4159% (0.39 0.02 0.02) = 1.416% kept Peak 386 (3.45, 0.70, 21.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 389 (2.13, 4.15, 62.59 ppm): 8 chemical-shift based assignments, quality = 0.113, support = 0.404, residual support = 0.187: HB3 GLU- 75 - HA VAL 73 12.500% * 54.9390% (0.13 0.58 0.32) = 54.939% kept HB2 ASP- 28 - HA VAL 73 12.500% * 13.7804% (0.15 0.13 0.02) = 13.780% kept HA1 GLY 58 - HA VAL 73 12.500% * 9.9374% (0.04 0.39 0.02) = 9.937% kept HB3 LYS+ 78 - HA VAL 73 12.500% * 8.7829% (0.08 0.16 0.02) = 8.783% kept HB3 LEU 43 - HA VAL 73 12.500% * 7.7064% (0.06 0.16 0.02) = 7.706% kept HB VAL 47 - HA VAL 73 12.500% * 2.0980% (0.15 0.02 0.02) = 2.098% kept HG3 GLN 102 - HA VAL 73 12.500% * 1.7369% (0.12 0.02 0.02) = 1.737% kept HG3 GLU- 56 - HA VAL 73 12.500% * 1.0190% (0.07 0.02 0.13) = 1.019% kept Not enough quality. Peak unassigned. Peak 390 (2.04, 4.13, 62.49 ppm): 13 chemical-shift based assignments, quality = 0.18, support = 0.228, residual support = 0.0195: HB3 GLU- 107 - HA VAL 105 7.692% * 48.1469% (0.18 1.00 0.45 0.02) = 48.147% kept T HB3 LYS+ 110 - HA VAL 105 7.692% * 25.8148% (0.22 10.00 0.02 0.02) = 25.815% kept T HB2 LYS+ 44 - HA VAL 105 7.692% * 9.5390% (0.08 10.00 0.02 0.02) = 9.539% kept HG3 PRO 86 - HA VAL 105 7.692% * 3.0294% (0.26 1.00 0.02 0.02) = 3.029% kept HB VAL 62 - HA VAL 105 7.692% * 3.0294% (0.26 1.00 0.02 0.02) = 3.029% kept HB2 GLU- 45 - HA VAL 105 7.692% * 2.9826% (0.25 1.00 0.02 0.02) = 2.983% kept HB3 GLU- 75 - HA VAL 105 7.692% * 2.1176% (0.18 1.00 0.02 0.02) = 2.118% kept HB3 GLU- 45 - HA VAL 105 7.692% * 1.6260% (0.14 1.00 0.02 0.02) = 1.626% kept HG3 ARG+ 53 - HA VAL 105 7.692% * 1.0542% (0.09 1.00 0.02 0.02) = 1.054% kept HB3 PRO 31 - HA VAL 105 7.692% * 0.9539% (0.08 1.00 0.02 0.02) = 0.954% HB2 PRO 112 - HA VAL 105 7.692% * 0.6881% (0.06 1.00 0.02 0.02) = 0.688% HB3 PRO 112 - HA VAL 105 7.692% * 0.5413% (0.05 1.00 0.02 0.02) = 0.541% HG2 PRO 116 - HA VAL 105 7.692% * 0.4769% (0.04 1.00 0.02 0.02) = 0.477% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 391 (2.05, 0.91, 21.27 ppm): 39 chemical-shift based assignments, quality = 0.251, support = 0.733, residual support = 4.65: T HG3 PRO 86 - QG2 VAL 87 2.564% * 54.7249% (0.31 10.00 0.87 8.20) = 54.725% kept T HB2 LYS+ 44 - QG2 VAL 105 2.564% * 14.3449% (0.12 10.00 0.59 0.02) = 14.345% kept T HB2 LYS+ 44 - QG2 VAL 87 2.564% * 14.1632% (0.09 10.00 0.78 0.96) = 14.163% kept HB2 GLU- 45 - QG2 VAL 87 2.564% * 5.2862% (0.32 1.00 0.82 0.28) = 5.286% kept HB2 GLU- 45 - QG2 VAL 105 2.564% * 2.6517% (0.42 1.00 0.31 0.02) = 2.652% kept HB3 GLU- 107 - QG2 VAL 105 2.564% * 1.7794% (0.28 1.00 0.31 0.02) = 1.779% kept T HG3 PRO 86 - QG2 VAL 105 2.564% * 1.6915% (0.42 10.00 0.02 0.02) = 1.691% kept HB3 GLU- 45 - QG2 VAL 87 2.564% * 1.4159% (0.16 1.00 0.44 0.28) = 1.416% kept T HB3 LYS+ 110 - QG2 VAL 105 2.564% * 1.4035% (0.35 10.00 0.02 0.02) = 1.403% kept T HB3 LYS+ 110 - QG2 VAL 87 2.564% * 1.0487% (0.26 10.00 0.02 0.02) = 1.049% kept HB VAL 62 - QG2 VAL 105 2.564% * 0.1691% (0.42 1.00 0.02 0.02) = 0.169% HB VAL 62 - QG2 VAL 87 2.564% * 0.1264% (0.31 1.00 0.02 0.02) = 0.126% HB3 GLU- 75 - QG2 VAL 105 2.564% * 0.1219% (0.30 1.00 0.02 0.02) = 0.122% HB3 GLU- 75 - QG2 VAL 87 2.564% * 0.0911% (0.23 1.00 0.02 0.02) = 0.091% HB3 GLU- 45 - QG2 VAL 105 2.564% * 0.0853% (0.21 1.00 0.02 0.02) = 0.085% HB3 GLU- 107 - QG2 VAL 87 2.564% * 0.0847% (0.21 1.00 0.02 0.02) = 0.085% HG3 ARG+ 53 - QG2 VAL 105 2.564% * 0.0658% (0.16 1.00 0.02 0.02) = 0.066% HB2 GLU- 45 - QG2 VAL 122 2.564% * 0.0651% (0.16 1.00 0.02 0.02) = 0.065% HG3 PRO 86 - QG2 VAL 122 2.564% * 0.0641% (0.16 1.00 0.02 0.02) = 0.064% HB VAL 62 - QG2 VAL 122 2.564% * 0.0641% (0.16 1.00 0.02 0.02) = 0.064% HB3 LYS+ 110 - QG2 VAL 122 2.564% * 0.0532% (0.13 1.00 0.02 0.02) = 0.053% HG3 ARG+ 53 - QG2 VAL 87 2.564% * 0.0492% (0.12 1.00 0.02 0.02) = 0.049% HB3 PRO 31 - QG2 VAL 105 2.564% * 0.0487% (0.12 1.00 0.02 0.02) = 0.049% HB3 GLU- 75 - QG2 VAL 122 2.564% * 0.0462% (0.11 1.00 0.02 0.02) = 0.046% HB3 GLU- 107 - QG2 VAL 122 2.564% * 0.0430% (0.11 1.00 0.02 0.02) = 0.043% HB3 PRO 31 - QG2 VAL 87 2.564% * 0.0364% (0.09 1.00 0.02 0.02) = 0.036% HB2 PRO 112 - QG2 VAL 105 2.564% * 0.0347% (0.09 1.00 0.02 0.02) = 0.035% HB3 GLU- 45 - QG2 VAL 122 2.564% * 0.0323% (0.08 1.00 0.02 0.02) = 0.032% HB3 PRO 112 - QG2 VAL 105 2.564% * 0.0270% (0.07 1.00 0.02 0.02) = 0.027% HB2 PRO 112 - QG2 VAL 87 2.564% * 0.0259% (0.06 1.00 0.02 0.02) = 0.026% HG3 ARG+ 53 - QG2 VAL 122 2.564% * 0.0249% (0.06 1.00 0.02 0.02) = 0.025% HG2 PRO 116 - QG2 VAL 105 2.564% * 0.0237% (0.06 1.00 0.02 0.02) = 0.024% HB3 PRO 112 - QG2 VAL 87 2.564% * 0.0202% (0.05 1.00 0.02 0.02) = 0.020% HB2 LYS+ 44 - QG2 VAL 122 2.564% * 0.0185% (0.05 1.00 0.02 0.02) = 0.018% HB3 PRO 31 - QG2 VAL 122 2.564% * 0.0185% (0.05 1.00 0.02 0.02) = 0.018% HG2 PRO 116 - QG2 VAL 87 2.564% * 0.0177% (0.04 1.00 0.02 0.02) = 0.018% HB2 PRO 112 - QG2 VAL 122 2.564% * 0.0131% (0.03 1.00 0.02 0.02) = 0.013% HB3 PRO 112 - QG2 VAL 122 2.564% * 0.0102% (0.03 1.00 0.02 0.02) = 0.010% HG2 PRO 116 - QG2 VAL 122 2.564% * 0.0090% (0.02 1.00 0.02 0.02) = 0.009% Peak 392 (2.02, 0.70, 21.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 393 (1.98, 4.18, 62.64 ppm): 11 chemical-shift based assignments, quality = 0.281, support = 2.62, residual support = 17.8: O HB VAL 73 - HA VAL 73 9.091% * 98.9275% (0.28 10.0 2.65 17.94) = 98.927% kept HB3 GLU- 75 - HA VAL 73 9.091% * 0.5946% (0.06 1.0 0.58 0.32) = 0.595% HB2 LYS+ 108 - HA VAL 73 9.091% * 0.1335% (0.38 1.0 0.02 0.02) = 0.134% HG3 PRO 104 - HA VAL 73 9.091% * 0.1091% (0.31 1.0 0.02 0.02) = 0.109% HG2 PRO 86 - HA VAL 73 9.091% * 0.0465% (0.13 1.0 0.02 0.02) = 0.046% HB3 GLU- 109 - HA VAL 73 9.091% * 0.0420% (0.12 1.0 0.02 0.02) = 0.042% HB VAL 122 - HA VAL 73 9.091% * 0.0379% (0.11 1.0 0.02 0.37) = 0.038% HB VAL 105 - HA VAL 73 9.091% * 0.0340% (0.10 1.0 0.02 0.02) = 0.034% HG3 PRO 116 - HA VAL 73 9.091% * 0.0270% (0.08 1.0 0.02 0.02) = 0.027% HB2 GLU- 18 - HA VAL 73 9.091% * 0.0270% (0.08 1.0 0.02 0.02) = 0.027% HG2 GLU- 64 - HA VAL 73 9.091% * 0.0210% (0.06 1.0 0.02 0.02) = 0.021% Peak 394 (1.97, 4.00, 62.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 396 (1.64, 4.15, 62.61 ppm): 10 chemical-shift based assignments, quality = 0.132, support = 0.953, residual support = 0.702: HB2 LEU 67 - HA VAL 73 10.000% * 68.5021% (0.14 1.33 1.01) = 68.502% kept HB3 MET 97 - HA VAL 73 10.000% * 8.7643% (0.12 0.20 0.02) = 8.764% kept HG12 ILE 101 - HA VAL 73 10.000% * 5.8937% (0.14 0.11 0.10) = 5.894% kept HB ILE 100 - HA VAL 73 10.000% * 5.5823% (0.14 0.11 0.02) = 5.582% kept HG3 LYS+ 78 - HA VAL 73 10.000% * 4.8091% (0.08 0.16 0.02) = 4.809% kept HG3 ARG+ 84 - HA VAL 73 10.000% * 3.8938% (0.08 0.14 0.02) = 3.894% kept HG LEU 23 - HA VAL 73 10.000% * 1.1285% (0.15 0.02 0.02) = 1.129% kept HB3 ARG+ 22 - HA VAL 73 10.000% * 0.9811% (0.13 0.02 0.02) = 0.981% HG2 LYS+ 110 - HA VAL 73 10.000% * 0.2366% (0.03 0.02 0.02) = 0.237% HG3 LYS+ 110 - HA VAL 73 10.000% * 0.2085% (0.03 0.02 0.02) = 0.208% Not enough quality. Peak unassigned. Peak 409 (0.92, 4.16, 62.64 ppm): 14 chemical-shift based assignments, quality = 0.269, support = 2.8, residual support = 16.3: O QG2 VAL 73 - HA VAL 73 7.143% * 82.1124% (0.29 10.0 2.82 17.94) = 82.112% kept HG LEU 74 - HA VAL 73 7.143% * 8.2885% (0.19 1.0 3.16 11.82) = 8.288% kept HG13 ILE 68 - HA VAL 73 7.143% * 5.8382% (0.15 1.0 2.86 6.96) = 5.838% kept HG12 ILE 68 - HA VAL 73 7.143% * 2.2938% (0.09 1.0 1.77 6.96) = 2.294% kept QD1 LEU 67 - HA VAL 73 7.143% * 1.1399% (0.12 1.0 0.66 1.01) = 1.140% kept QD1 LEU 17 - HA VAL 73 7.143% * 0.0640% (0.23 1.0 0.02 0.02) = 0.064% QG1 VAL 105 - HA VAL 73 7.143% * 0.0608% (0.22 1.0 0.02 0.02) = 0.061% QG2 VAL 87 - HA VAL 73 7.143% * 0.0376% (0.13 1.0 0.02 0.02) = 0.038% HG12 ILE 29 - HA VAL 73 7.143% * 0.0344% (0.12 1.0 0.02 0.02) = 0.034% QG2 VAL 62 - HA VAL 73 7.143% * 0.0314% (0.11 1.0 0.02 0.15) = 0.031% QG1 VAL 47 - HA VAL 73 7.143% * 0.0286% (0.10 1.0 0.02 0.02) = 0.029% QG2 ILE 29 - HA VAL 73 7.143% * 0.0259% (0.09 1.0 0.02 0.02) = 0.026% QG2 VAL 105 - HA VAL 73 7.143% * 0.0259% (0.09 1.0 0.02 0.02) = 0.026% HG3 LYS+ 63 - HA VAL 73 7.143% * 0.0187% (0.07 1.0 0.02 0.02) = 0.019% 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): 2 diagonal assignments: QG2 VAL 87 - QG2 VAL 87 (0.11) kept QG2 VAL 105 - QG2 VAL 105 (0.09) kept Peak 424 (0.85, 4.01, 62.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 425 (0.73, 4.19, 62.61 ppm): 16 chemical-shift based assignments, quality = 0.223, support = 2.36, residual support = 5.93: QD1 ILE 68 - HA VAL 73 6.250% * 63.3879% (0.30 2.78 6.96) = 63.388% kept HG LEU 74 - HA VAL 73 6.250% * 12.0605% (0.05 3.16 11.82) = 12.061% kept QG2 ILE 48 - HA VAL 73 6.250% * 8.2391% (0.17 0.63 0.02) = 8.239% kept QG2 ILE 101 - HA VAL 73 6.250% * 6.7590% (0.14 0.66 0.10) = 6.759% kept HG LEU 67 - HA VAL 73 6.250% * 6.4628% (0.05 1.61 1.01) = 6.463% kept HG LEU 74 - HA LYS+ 110 6.250% * 1.4273% (0.02 0.91 1.01) = 1.427% kept QG2 VAL 40 - HA VAL 73 6.250% * 0.4434% (0.29 0.02 0.02) = 0.443% HG3 LYS+ 66 - HA VAL 73 6.250% * 0.3511% (0.23 0.02 0.02) = 0.351% QD1 ILE 68 - HA LYS+ 110 6.250% * 0.1877% (0.12 0.02 0.02) = 0.188% QG2 VAL 40 - HA LYS+ 110 6.250% * 0.1828% (0.12 0.02 0.02) = 0.183% HG3 LYS+ 66 - HA LYS+ 110 6.250% * 0.1448% (0.10 0.02 0.02) = 0.145% QG2 ILE 48 - HA LYS+ 110 6.250% * 0.1072% (0.07 0.02 0.02) = 0.107% HG2 PRO 59 - HA VAL 73 6.250% * 0.0909% (0.06 0.02 0.02) = 0.091% QG2 ILE 101 - HA LYS+ 110 6.250% * 0.0849% (0.06 0.02 0.02) = 0.085% HG2 PRO 59 - HA LYS+ 110 6.250% * 0.0375% (0.02 0.02 0.02) = 0.037% HG LEU 67 - HA LYS+ 110 6.250% * 0.0332% (0.02 0.02 0.02) = 0.033% Peak 427 (0.55, 4.19, 62.60 ppm): 4 chemical-shift based assignments, quality = 0.167, support = 0.202, residual support = 0.0776: QD1 ILE 101 - HA VAL 73 25.000% * 66.3804% (0.19 1.00 0.29 0.10) = 66.380% kept T QD1 ILE 101 - HA LYS+ 110 25.000% * 26.7790% (0.11 10.00 0.02 0.02) = 26.779% kept HG13 ILE 101 - HA VAL 73 25.000% * 4.2962% (0.18 1.00 0.02 0.10) = 4.296% kept HG13 ILE 101 - HA LYS+ 110 25.000% * 2.5445% (0.11 1.00 0.02 0.02) = 2.544% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 439 (8.23, 0.92, 20.86 ppm): 18 chemical-shift based assignments, quality = 0.183, support = 2.02, residual support = 5.76: HN VAL 105 - QG2 VAL 105 5.556% * 34.6812% (0.22 2.70 11.26) = 34.681% kept HN THR 106 - QG2 VAL 105 5.556% * 22.7406% (0.12 3.15 7.84) = 22.741% kept HN GLU- 45 - QG2 VAL 87 5.556% * 18.4954% (0.21 1.53 0.28) = 18.495% kept HN GLU- 45 - QG2 VAL 105 5.556% * 5.9126% (0.14 0.74 0.02) = 5.913% kept HN LEU 67 - QG2 VAL 105 5.556% * 4.9952% (0.33 0.26 0.02) = 4.995% kept HN ASP- 115 - QG2 VAL 87 5.556% * 4.2204% (0.15 0.47 0.38) = 4.220% kept HN VAL 105 - QG2 VAL 87 5.556% * 2.2738% (0.33 0.12 0.02) = 2.274% kept HN ASP- 115 - QG2 VAL 105 5.556% * 2.1297% (0.10 0.36 0.02) = 2.130% kept HN SER 49 - QG2 VAL 87 5.556% * 0.6454% (0.55 0.02 0.02) = 0.645% HN GLY 58 - QG2 VAL 87 5.556% * 0.6229% (0.53 0.02 0.19) = 0.623% HN LYS+ 81 - QG2 VAL 87 5.556% * 0.5788% (0.50 0.02 0.02) = 0.579% HN LEU 67 - QG2 VAL 87 5.556% * 0.5788% (0.50 0.02 0.02) = 0.579% HN SER 49 - QG2 VAL 105 5.556% * 0.4239% (0.36 0.02 0.02) = 0.424% HN VAL 94 - QG2 VAL 87 5.556% * 0.4175% (0.36 0.02 0.02) = 0.418% HN GLY 58 - QG2 VAL 105 5.556% * 0.4091% (0.35 0.02 0.23) = 0.409% HN LYS+ 81 - QG2 VAL 105 5.556% * 0.3802% (0.33 0.02 0.02) = 0.380% HN VAL 94 - QG2 VAL 105 5.556% * 0.2742% (0.23 0.02 0.94) = 0.274% HN THR 106 - QG2 VAL 87 5.556% * 0.2202% (0.19 0.02 0.02) = 0.220% Peak 440 (4.80, 0.91, 20.89 ppm): 10 chemical-shift based assignments, quality = 0.425, support = 0.639, residual support = 0.117: HA ASP- 115 - QG2 VAL 87 10.000% * 27.0670% (0.37 1.09 0.38) = 27.067% kept HA LYS+ 113 - QG2 VAL 87 10.000% * 21.7457% (0.68 0.47 0.02) = 21.746% kept HA PRO 116 - QG2 VAL 105 10.000% * 16.4847% (0.37 0.65 0.02) = 16.485% kept HA ASP- 115 - QG2 VAL 105 10.000% * 13.0266% (0.27 0.70 0.02) = 13.027% kept HA PRO 116 - QG2 VAL 87 10.000% * 7.9289% (0.49 0.24 0.02) = 7.929% kept HA LYS+ 113 - QG2 VAL 105 10.000% * 4.2079% (0.51 0.12 0.02) = 4.208% kept HA MET 97 - QG2 VAL 87 10.000% * 3.3640% (0.18 0.27 0.02) = 3.364% kept HA GLU- 107 - QG2 VAL 105 10.000% * 2.9865% (0.35 0.13 0.02) = 2.986% kept HA MET 97 - QG2 VAL 105 10.000% * 2.5610% (0.14 0.28 0.02) = 2.561% kept HA GLU- 107 - QG2 VAL 87 10.000% * 0.6277% (0.46 0.02 0.02) = 0.628% Peak 442 (4.13, 0.92, 21.03 ppm): 14 chemical-shift based assignments, quality = 0.407, support = 0.978, residual support = 4.11: T HA LYS+ 44 - QG2 VAL 87 7.143% * 47.5990% (0.36 10.00 0.66 0.96) = 47.599% kept HB2 SER 88 - QG2 VAL 87 7.143% * 25.1049% (0.59 1.00 2.14 12.42) = 25.105% kept T HA LYS+ 44 - QG2 VAL 105 7.143% * 15.4885% (0.31 10.00 0.25 0.02) = 15.489% kept HB THR 106 - QG2 VAL 105 7.143% * 6.7566% (0.32 1.00 1.07 7.84) = 6.757% kept HB2 SER 88 - QG2 VAL 105 7.143% * 3.3820% (0.51 1.00 0.34 0.02) = 3.382% kept HD2 PRO 59 - QG2 VAL 87 7.143% * 0.2779% (0.70 1.00 0.02 0.02) = 0.278% HA2 GLY 71 - QG2 VAL 87 7.143% * 0.2749% (0.69 1.00 0.02 0.02) = 0.275% HD2 PRO 59 - QG2 VAL 105 7.143% * 0.2373% (0.60 1.00 0.02 0.02) = 0.237% HA2 GLY 71 - QG2 VAL 105 7.143% * 0.2346% (0.59 1.00 0.02 0.02) = 0.235% HA ARG+ 53 - QG2 VAL 87 7.143% * 0.1814% (0.46 1.00 0.02 0.02) = 0.181% HA ARG+ 53 - QG2 VAL 105 7.143% * 0.1549% (0.39 1.00 0.02 0.02) = 0.155% HB THR 106 - QG2 VAL 87 7.143% * 0.1475% (0.37 1.00 0.02 0.02) = 0.148% HA THR 46 - QG2 VAL 87 7.143% * 0.0866% (0.22 1.00 0.02 0.02) = 0.087% HA THR 46 - QG2 VAL 105 7.143% * 0.0739% (0.19 1.00 0.02 0.02) = 0.074% Peak 445 (4.02, 0.83, 20.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 518 (8.47, 4.31, 61.93 ppm): 15 chemical-shift based assignments, quality = 0.293, support = 1.38, residual support = 3.23: O HN GLU- 107 - HA THR 106 6.667% * 88.6560% (0.30 10.0 1.48 3.56) = 88.656% kept HN LYS+ 113 - HA VAL 94 6.667% * 5.1026% (0.26 1.0 1.00 1.47) = 5.103% kept HN GLY 92 - HA THR 106 6.667% * 2.4358% (0.29 1.0 0.42 0.02) = 2.436% kept HN GLY 92 - HA VAL 94 6.667% * 1.7443% (0.27 1.0 0.33 0.02) = 1.744% kept HN GLU- 18 - HA VAL 94 6.667% * 0.8290% (0.16 1.0 0.27 0.02) = 0.829% HN GLU- 107 - HA ILE 29 6.667% * 0.2007% (0.51 1.0 0.02 0.02) = 0.201% HN GLY 92 - HA ILE 29 6.667% * 0.1954% (0.49 1.0 0.02 0.02) = 0.195% HN LYS+ 113 - HA ILE 29 6.667% * 0.1869% (0.47 1.0 0.02 0.34) = 0.187% HN GLU- 18 - HA ILE 29 6.667% * 0.1146% (0.29 1.0 0.02 0.02) = 0.115% HN LEU 74 - HA ILE 29 6.667% * 0.1146% (0.29 1.0 0.02 0.32) = 0.115% HN LYS+ 113 - HA THR 106 6.667% * 0.1115% (0.28 1.0 0.02 0.02) = 0.112% HN GLU- 107 - HA VAL 94 6.667% * 0.1092% (0.28 1.0 0.02 0.02) = 0.109% HN GLU- 18 - HA THR 106 6.667% * 0.0684% (0.17 1.0 0.02 0.02) = 0.068% HN LEU 74 - HA THR 106 6.667% * 0.0684% (0.17 1.0 0.02 0.75) = 0.068% HN LEU 74 - HA VAL 94 6.667% * 0.0624% (0.16 1.0 0.02 0.72) = 0.062% Peak 519 (8.25, 4.31, 61.89 ppm): 21 chemical-shift based assignments, quality = 0.229, support = 2.53, residual support = 10.6: O HN THR 106 - HA THR 106 4.762% * 98.2531% (0.23 10.0 2.58 10.76) = 98.253% kept HN LEU 67 - HA THR 106 4.762% * 0.2829% (0.16 1.0 0.08 0.02) = 0.283% HN THR 106 - HA ILE 29 4.762% * 0.1599% (0.38 1.0 0.02 0.02) = 0.160% HN ASP- 115 - HA ILE 29 4.762% * 0.1557% (0.37 1.0 0.02 0.02) = 0.156% HN LEU 67 - HA ILE 29 4.762% * 0.1108% (0.26 1.0 0.02 0.02) = 0.111% HN LYS+ 81 - HA ILE 29 4.762% * 0.1108% (0.26 1.0 0.02 0.02) = 0.111% HN THR 106 - HA VAL 94 4.762% * 0.0964% (0.23 1.0 0.02 0.02) = 0.096% HN ASP- 115 - HA THR 106 4.762% * 0.0957% (0.23 1.0 0.02 0.02) = 0.096% HN ASP- 115 - HA VAL 94 4.762% * 0.0939% (0.22 1.0 0.02 0.10) = 0.094% HN GLY 58 - HA ILE 29 4.762% * 0.0914% (0.22 1.0 0.02 2.94) = 0.091% HN LYS+ 81 - HA THR 106 4.762% * 0.0681% (0.16 1.0 0.02 0.02) = 0.068% HN LEU 67 - HA VAL 94 4.762% * 0.0668% (0.16 1.0 0.02 0.02) = 0.067% HN LYS+ 81 - HA VAL 94 4.762% * 0.0668% (0.16 1.0 0.02 0.02) = 0.067% HN SER 49 - HA ILE 29 4.762% * 0.0663% (0.16 1.0 0.02 0.02) = 0.066% HN GLY 58 - HA THR 106 4.762% * 0.0561% (0.13 1.0 0.02 0.02) = 0.056% HN GLY 58 - HA VAL 94 4.762% * 0.0551% (0.13 1.0 0.02 0.21) = 0.055% HN SER 49 - HA THR 106 4.762% * 0.0408% (0.10 1.0 0.02 0.02) = 0.041% HN ASN 89 - HA ILE 29 4.762% * 0.0402% (0.10 1.0 0.02 0.02) = 0.040% HN SER 49 - HA VAL 94 4.762% * 0.0400% (0.10 1.0 0.02 0.02) = 0.040% HN ASN 89 - HA THR 106 4.762% * 0.0247% (0.06 1.0 0.02 0.02) = 0.025% HN ASN 89 - HA VAL 94 4.762% * 0.0243% (0.06 1.0 0.02 0.02) = 0.024% Peak 520 (8.07, 0.84, 20.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 521 (7.81, 0.91, 20.50 ppm): 5 chemical-shift based assignments, quality = 0.117, support = 0.02, residual support = 0.02: HN ALA 93 - QG2 VAL 125 20.000% * 30.6866% (0.15 0.02 0.02) = 30.687% kept HN LYS+ 55 - QG2 VAL 125 20.000% * 28.8995% (0.14 0.02 0.02) = 28.900% kept HN VAL 87 - QG2 VAL 125 20.000% * 16.4710% (0.08 0.02 0.02) = 16.471% kept HN THR 46 - QG2 VAL 125 20.000% * 15.2385% (0.08 0.02 0.02) = 15.239% kept HN LYS+ 63 - QG2 VAL 125 20.000% * 8.7044% (0.04 0.02 0.02) = 8.704% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 525 (4.32, 4.31, 61.98 ppm): 2 diagonal assignments: HA ILE 29 - HA ILE 29 (0.59) kept HA VAL 94 - HA VAL 94 (0.11) kept Peak 526 (4.20, 4.31, 61.92 ppm): 27 chemical-shift based assignments, quality = 0.189, support = 0.216, residual support = 0.126: HA LYS+ 44 - HA VAL 94 3.704% * 22.4221% (0.06 0.77 0.49) = 22.422% kept HA GLU- 64 - HA VAL 94 3.704% * 13.2090% (0.22 0.12 0.02) = 13.209% kept HA GLU- 109 - HA VAL 94 3.704% * 8.0758% (0.17 0.09 0.02) = 8.076% kept HA LYS+ 44 - HA ILE 29 3.704% * 6.1780% (0.12 0.10 0.02) = 6.178% kept HA GLU- 64 - HA ILE 29 3.704% * 4.6378% (0.45 0.02 0.02) = 4.638% kept HA ASP- 82 - HA ILE 29 3.704% * 4.5662% (0.45 0.02 0.02) = 4.566% kept HA LYS+ 44 - HA THR 106 3.704% * 4.4880% (0.08 0.11 0.02) = 4.488% kept HA MET 126 - HA ILE 29 3.704% * 3.7887% (0.37 0.02 0.02) = 3.789% kept HA GLU- 109 - HA ILE 29 3.704% * 3.6159% (0.35 0.02 0.02) = 3.616% kept HA GLU- 64 - HA THR 106 3.704% * 3.2363% (0.32 0.02 0.02) = 3.236% kept HA ASP- 82 - HA THR 106 3.704% * 3.1863% (0.31 0.02 0.02) = 3.186% kept HA MET 126 - HA THR 106 3.704% * 2.6438% (0.26 0.02 0.02) = 2.644% kept HA GLU- 109 - HA THR 106 3.704% * 2.5232% (0.25 0.02 0.02) = 2.523% kept HA ASP- 82 - HA VAL 94 3.704% * 2.1890% (0.21 0.02 0.02) = 2.189% kept HA MET 126 - HA VAL 94 3.704% * 1.8162% (0.18 0.02 0.02) = 1.816% kept HA VAL 73 - HA ILE 29 3.704% * 1.7758% (0.17 0.02 0.02) = 1.776% kept HB3 SER 49 - HA ILE 29 3.704% * 1.6139% (0.16 0.02 0.02) = 1.614% kept HA LYS+ 110 - HA ILE 29 3.704% * 1.4604% (0.14 0.02 0.02) = 1.460% kept HA ALA 42 - HA ILE 29 3.704% * 1.3155% (0.13 0.02 0.02) = 1.316% kept HA VAL 73 - HA THR 106 3.704% * 1.2391% (0.12 0.02 0.02) = 1.239% kept HB3 SER 49 - HA THR 106 3.704% * 1.1262% (0.11 0.02 0.02) = 1.126% kept HA LYS+ 110 - HA THR 106 3.704% * 1.0190% (0.10 0.02 0.02) = 1.019% kept HA ALA 42 - HA THR 106 3.704% * 0.9180% (0.09 0.02 0.02) = 0.918% HA VAL 73 - HA VAL 94 3.704% * 0.8513% (0.08 0.02 0.02) = 0.851% HB3 SER 49 - HA VAL 94 3.704% * 0.7737% (0.08 0.02 0.02) = 0.774% HA LYS+ 110 - HA VAL 94 3.704% * 0.7001% (0.07 0.02 0.02) = 0.700% HA ALA 42 - HA VAL 94 3.704% * 0.6306% (0.06 0.02 0.02) = 0.631% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 527 (3.86, 0.91, 20.58 ppm): 10 chemical-shift based assignments, quality = 0.0298, support = 0.843, residual support = 1.42: O HA VAL 125 - QG2 VAL 125 10.000% * 79.0267% (0.03 10.0 1.00 1.00 1.79) = 79.027% kept T HA ILE 48 - QG2 VAL 125 10.000% * 17.9245% (0.02 1.0 10.00 0.29 0.02) = 17.924% kept T HA LYS+ 44 - QG2 VAL 125 10.000% * 1.7788% (0.04 1.0 10.00 0.02 0.02) = 1.779% kept HA VAL 87 - QG2 VAL 125 10.000% * 0.2786% (0.06 1.0 1.00 0.02 0.02) = 0.279% HB3 SER 88 - QG2 VAL 125 10.000% * 0.2767% (0.05 1.0 1.00 0.02 0.02) = 0.277% HB2 SER 85 - QG2 VAL 125 10.000% * 0.2332% (0.05 1.0 1.00 0.02 0.02) = 0.233% HD3 PRO 86 - QG2 VAL 125 10.000% * 0.1918% (0.04 1.0 1.00 0.02 0.02) = 0.192% HD2 PRO 116 - QG2 VAL 125 10.000% * 0.1359% (0.03 1.0 1.00 0.02 0.02) = 0.136% HD2 PRO 86 - QG2 VAL 125 10.000% * 0.1148% (0.02 1.0 1.00 0.02 0.02) = 0.115% HB3 SER 77 - QG2 VAL 125 10.000% * 0.0391% (0.01 1.0 1.00 0.02 0.02) = 0.039% Not enough quality. Peak unassigned. Peak 528 (2.11, 0.91, 20.59 ppm): 26 chemical-shift based assignments, quality = 0.0808, support = 1.92, residual support = 12.2: O T HB VAL 87 - QG2 VAL 87 3.846% * 85.6523% (0.09 10.0 10.00 2.11 14.06) = 85.652% kept O HB VAL 125 - QG2 VAL 125 3.846% * 10.8666% (0.02 10.0 1.00 1.00 1.79) = 10.867% kept HB3 LEU 43 - QG2 VAL 87 3.846% * 1.8730% (0.14 1.0 1.00 0.27 0.02) = 1.873% kept T HB VAL 47 - QG2 VAL 87 3.846% * 0.4359% (0.04 1.0 10.00 0.02 0.02) = 0.436% T HB VAL 47 - QG2 VAL 125 3.846% * 0.1967% (0.02 1.0 10.00 0.02 0.02) = 0.197% HG3 GLU- 56 - QG2 VAL 87 3.846% * 0.1400% (0.14 1.0 1.00 0.02 0.02) = 0.140% HB3 GLU- 75 - QG2 VAL 87 3.846% * 0.1345% (0.14 1.0 1.00 0.02 0.02) = 0.134% HB VAL 65 - QG2 VAL 87 3.846% * 0.0914% (0.09 1.0 1.00 0.02 0.02) = 0.091% HG3 GLU- 56 - QG2 VAL 125 3.846% * 0.0631% (0.07 1.0 1.00 0.02 0.02) = 0.063% HB3 LEU 43 - QG2 VAL 125 3.846% * 0.0625% (0.06 1.0 1.00 0.02 0.02) = 0.062% HB3 GLU- 75 - QG2 VAL 125 3.846% * 0.0607% (0.06 1.0 1.00 0.02 0.02) = 0.061% HB VAL 125 - QG2 VAL 87 3.846% * 0.0482% (0.05 1.0 1.00 0.02 0.02) = 0.048% HB2 ASP- 28 - QG2 VAL 87 3.846% * 0.0436% (0.04 1.0 1.00 0.02 0.02) = 0.044% HB2 LEU 43 - QG2 VAL 87 3.846% * 0.0436% (0.04 1.0 1.00 0.02 0.02) = 0.044% HB VAL 65 - QG2 VAL 125 3.846% * 0.0412% (0.04 1.0 1.00 0.02 0.02) = 0.041% HB VAL 87 - QG2 VAL 125 3.846% * 0.0386% (0.04 1.0 1.00 0.02 0.02) = 0.039% HB2 LYS+ 110 - QG2 VAL 87 3.846% * 0.0352% (0.04 1.0 1.00 0.02 0.02) = 0.035% HA1 GLY 58 - QG2 VAL 87 3.846% * 0.0285% (0.03 1.0 1.00 0.02 0.19) = 0.029% HD3 LYS+ 110 - QG2 VAL 87 3.846% * 0.0279% (0.03 1.0 1.00 0.02 0.02) = 0.028% HG3 GLN 102 - QG2 VAL 87 3.846% * 0.0247% (0.03 1.0 1.00 0.02 0.02) = 0.025% HB2 ASP- 28 - QG2 VAL 125 3.846% * 0.0197% (0.02 1.0 1.00 0.02 0.02) = 0.020% HB2 LEU 43 - QG2 VAL 125 3.846% * 0.0197% (0.02 1.0 1.00 0.02 0.02) = 0.020% HB2 LYS+ 110 - QG2 VAL 125 3.846% * 0.0159% (0.02 1.0 1.00 0.02 0.02) = 0.016% HA1 GLY 58 - QG2 VAL 125 3.846% * 0.0129% (0.01 1.0 1.00 0.02 0.02) = 0.013% HD3 LYS+ 110 - QG2 VAL 125 3.846% * 0.0126% (0.01 1.0 1.00 0.02 0.02) = 0.013% HG3 GLN 102 - QG2 VAL 125 3.846% * 0.0112% (0.01 1.0 1.00 0.02 0.02) = 0.011% Peak 529 (1.87, 4.27, 61.86 ppm): 16 chemical-shift based assignments, quality = 0.167, support = 0.327, residual support = 0.0596: HB3 ARG+ 84 - HA THR 106 6.250% * 34.9582% (0.22 0.34 0.13) = 34.958% kept HG2 GLU- 18 - HA THR 106 6.250% * 22.0363% (0.08 0.63 0.02) = 22.036% kept HB2 PRO 104 - HA THR 106 6.250% * 21.6753% (0.20 0.24 0.02) = 21.675% kept HB2 PRO 104 - HA SER 49 6.250% * 10.5053% (0.14 0.16 0.02) = 10.505% kept HG3 LYS+ 120 - HA THR 106 6.250% * 1.9408% (0.21 0.02 0.02) = 1.941% kept HB3 LYS+ 72 - HA THR 106 6.250% * 1.7137% (0.19 0.02 0.02) = 1.714% kept HB3 ARG+ 84 - HA SER 49 6.250% * 1.4369% (0.16 0.02 0.02) = 1.437% kept HG3 LYS+ 120 - HA SER 49 6.250% * 1.3593% (0.15 0.02 0.02) = 1.359% kept HB3 LYS+ 72 - HA SER 49 6.250% * 1.2002% (0.13 0.02 0.02) = 1.200% kept HB2 LYS+ 66 - HA THR 106 6.250% * 0.7045% (0.08 0.02 0.02) = 0.705% HG2 GLU- 18 - HA SER 49 6.250% * 0.4934% (0.05 0.02 0.02) = 0.493% HB2 LYS+ 66 - HA SER 49 6.250% * 0.4934% (0.05 0.02 0.02) = 0.493% HG3 PRO 112 - HA THR 106 6.250% * 0.4360% (0.05 0.02 0.02) = 0.436% HB3 PRO 59 - HA THR 106 6.250% * 0.4360% (0.05 0.02 0.02) = 0.436% HB3 PRO 59 - HA SER 49 6.250% * 0.3053% (0.03 0.02 0.02) = 0.305% HG3 PRO 112 - HA SER 49 6.250% * 0.3053% (0.03 0.02 0.02) = 0.305% Not enough quality. Peak unassigned. Peak 531 (1.18, 4.31, 62.00 ppm): 18 chemical-shift based assignments, quality = 0.421, support = 0.89, residual support = 5.0: O T QG2 THR 106 - HA THR 106 5.556% * 43.7766% (0.32 10.0 10.00 1.00 10.76) = 43.777% kept T HG LEU 74 - HA ILE 29 5.556% * 25.9955% (0.67 1.0 10.00 0.57 0.32) = 25.996% kept T HG LEU 74 - HA VAL 94 5.556% * 24.1206% (0.38 1.0 10.00 0.95 0.72) = 24.121% kept HG LEU 74 - HA THR 106 5.556% * 4.0923% (0.33 1.0 1.00 1.82 0.75) = 4.092% kept T QG2 THR 106 - HA ILE 29 5.556% * 0.8849% (0.65 1.0 10.00 0.02 0.02) = 0.885% T QG2 THR 106 - HA VAL 94 5.556% * 0.4925% (0.36 1.0 10.00 0.02 0.02) = 0.493% HB3 LYS+ 66 - HA ILE 29 5.556% * 0.0933% (0.69 1.0 1.00 0.02 0.02) = 0.093% HB2 LEU 74 - HA ILE 29 5.556% * 0.0927% (0.69 1.0 1.00 0.02 0.32) = 0.093% HB ILE 68 - HA ILE 29 5.556% * 0.0643% (0.48 1.0 1.00 0.02 0.02) = 0.064% HG3 PRO 59 - HA ILE 29 5.556% * 0.0605% (0.45 1.0 1.00 0.02 0.16) = 0.061% HB3 LYS+ 66 - HA VAL 94 5.556% * 0.0519% (0.38 1.0 1.00 0.02 0.02) = 0.052% HB2 LEU 74 - HA VAL 94 5.556% * 0.0516% (0.38 1.0 1.00 0.02 0.72) = 0.052% HB3 LYS+ 66 - HA THR 106 5.556% * 0.0462% (0.34 1.0 1.00 0.02 0.02) = 0.046% HB2 LEU 74 - HA THR 106 5.556% * 0.0459% (0.34 1.0 1.00 0.02 0.75) = 0.046% HB ILE 68 - HA VAL 94 5.556% * 0.0358% (0.26 1.0 1.00 0.02 0.02) = 0.036% HG3 PRO 59 - HA VAL 94 5.556% * 0.0337% (0.25 1.0 1.00 0.02 1.98) = 0.034% HB ILE 68 - HA THR 106 5.556% * 0.0318% (0.24 1.0 1.00 0.02 0.02) = 0.032% HG3 PRO 59 - HA THR 106 5.556% * 0.0299% (0.22 1.0 1.00 0.02 0.02) = 0.030% Peak 533 (0.94, 4.31, 61.90 ppm): 30 chemical-shift based assignments, quality = 0.399, support = 4.85, residual support = 56.9: O HG12 ILE 29 - HA ILE 29 3.333% * 47.9859% (0.42 10.0 5.07 60.56) = 47.986% kept O QG2 ILE 29 - HA ILE 29 3.333% * 45.7980% (0.40 10.0 5.17 60.56) = 45.798% kept HG LEU 74 - HA THR 106 3.333% * 1.8820% (0.18 1.0 1.82 0.75) = 1.882% kept QD1 LEU 17 - HA ILE 29 3.333% * 1.8680% (0.38 1.0 0.86 6.02) = 1.868% kept HG LEU 74 - HA ILE 29 3.333% * 0.9345% (0.29 1.0 0.57 0.32) = 0.935% HG LEU 74 - HA VAL 94 3.333% * 0.8662% (0.16 1.0 0.95 0.72) = 0.866% QG2 VAL 62 - HA ILE 29 3.333% * 0.0475% (0.42 1.0 0.02 0.02) = 0.047% HG12 ILE 68 - HA ILE 29 3.333% * 0.0458% (0.40 1.0 0.02 0.02) = 0.046% QG1 VAL 105 - HA ILE 29 3.333% * 0.0447% (0.39 1.0 0.02 0.02) = 0.045% HG3 LYS+ 63 - HA ILE 29 3.333% * 0.0420% (0.37 1.0 0.02 0.02) = 0.042% QG2 VAL 99 - HA ILE 29 3.333% * 0.0313% (0.28 1.0 0.02 0.02) = 0.031% HG12 ILE 29 - HA THR 106 3.333% * 0.0304% (0.27 1.0 0.02 0.02) = 0.030% QG2 VAL 62 - HA THR 106 3.333% * 0.0300% (0.27 1.0 0.02 0.02) = 0.030% HG12 ILE 68 - HA THR 106 3.333% * 0.0290% (0.26 1.0 0.02 0.02) = 0.029% QG2 ILE 29 - HA THR 106 3.333% * 0.0290% (0.26 1.0 0.02 0.02) = 0.029% QG1 VAL 105 - HA THR 106 3.333% * 0.0283% (0.25 1.0 0.02 7.84) = 0.028% QD1 LEU 17 - HA THR 106 3.333% * 0.0275% (0.24 1.0 0.02 0.02) = 0.027% HG12 ILE 29 - HA VAL 94 3.333% * 0.0267% (0.24 1.0 0.02 0.02) = 0.027% HG3 LYS+ 63 - HA THR 106 3.333% * 0.0266% (0.23 1.0 0.02 0.02) = 0.027% QG2 VAL 62 - HA VAL 94 3.333% * 0.0264% (0.23 1.0 0.02 0.02) = 0.026% HG12 ILE 68 - HA VAL 94 3.333% * 0.0255% (0.22 1.0 0.02 0.02) = 0.025% QG2 ILE 29 - HA VAL 94 3.333% * 0.0255% (0.22 1.0 0.02 0.02) = 0.025% QG1 VAL 105 - HA VAL 94 3.333% * 0.0248% (0.22 1.0 0.02 0.94) = 0.025% QD1 LEU 17 - HA VAL 94 3.333% * 0.0241% (0.21 1.0 0.02 0.02) = 0.024% HG3 LYS+ 63 - HA VAL 94 3.333% * 0.0233% (0.21 1.0 0.02 0.02) = 0.023% QG2 VAL 99 - HA THR 106 3.333% * 0.0198% (0.18 1.0 0.02 0.02) = 0.020% QG2 VAL 73 - HA ILE 29 3.333% * 0.0182% (0.16 1.0 0.02 0.02) = 0.018% QG2 VAL 99 - HA VAL 94 3.333% * 0.0174% (0.15 1.0 0.02 0.02) = 0.017% QG2 VAL 73 - HA THR 106 3.333% * 0.0115% (0.10 1.0 0.02 0.02) = 0.011% QG2 VAL 73 - HA VAL 94 3.333% * 0.0101% (0.09 1.0 0.02 0.02) = 0.010% Peak 538 (0.85, 0.84, 20.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 546 (8.81, 4.26, 61.69 ppm): 12 chemical-shift based assignments, quality = 0.217, support = 2.88, residual support = 11.3: O HN LYS+ 60 - HA PRO 59 8.333% * 92.7505% (0.21 10.0 3.03 12.16) = 92.750% kept HN ASN 57 - HA PRO 59 8.333% * 6.8684% (0.30 1.0 1.05 0.02) = 6.868% kept HN LYS+ 32 - HA PRO 59 8.333% * 0.1211% (0.28 1.0 0.02 0.02) = 0.121% HN ASN 57 - HA SER 49 8.333% * 0.0517% (0.12 1.0 0.02 0.02) = 0.052% HN LYS+ 32 - HA SER 49 8.333% * 0.0480% (0.11 1.0 0.02 0.87) = 0.048% HN LYS+ 60 - HA SER 49 8.333% * 0.0368% (0.08 1.0 0.02 0.02) = 0.037% HN ASN 57 - HA THR 106 8.333% * 0.0303% (0.07 1.0 0.02 0.02) = 0.030% HN LYS+ 32 - HA THR 106 8.333% * 0.0282% (0.06 1.0 0.02 0.02) = 0.028% HN SER 69 - HA PRO 59 8.333% * 0.0267% (0.06 1.0 0.02 0.02) = 0.027% HN LYS+ 60 - HA THR 106 8.333% * 0.0216% (0.05 1.0 0.02 0.02) = 0.022% HN SER 69 - HA SER 49 8.333% * 0.0106% (0.02 1.0 0.02 0.02) = 0.011% HN SER 69 - HA THR 106 8.333% * 0.0062% (0.01 1.0 0.02 0.02) = 0.006% Peak 547 (8.23, 4.22, 61.70 ppm): 18 chemical-shift based assignments, quality = 0.424, support = 3.9, residual support = 15.3: O HN SER 49 - HA SER 49 5.556% * 88.7692% (0.44 10.0 4.26 17.21) = 88.769% kept HN GLY 58 - HA PRO 59 5.556% * 4.1999% (0.23 1.0 1.81 0.02) = 4.200% kept HN GLY 58 - HA SER 49 5.556% * 4.0670% (0.45 1.0 0.90 0.02) = 4.067% kept HN LEU 67 - HA SER 49 5.556% * 1.7603% (0.43 1.0 0.40 0.02) = 1.760% kept HN SER 49 - HA PRO 59 5.556% * 0.4478% (0.23 1.0 0.20 0.02) = 0.448% HN LYS+ 81 - HA SER 49 5.556% * 0.3757% (0.43 1.0 0.09 0.02) = 0.376% HN VAL 94 - HA SER 49 5.556% * 0.0476% (0.23 1.0 0.02 0.02) = 0.048% HN LYS+ 81 - HA PRO 59 5.556% * 0.0450% (0.22 1.0 0.02 0.02) = 0.045% HN LEU 67 - HA PRO 59 5.556% * 0.0450% (0.22 1.0 0.02 0.02) = 0.045% HN VAL 105 - HA SER 49 5.556% * 0.0441% (0.22 1.0 0.02 0.02) = 0.044% HN THR 106 - HA SER 49 5.556% * 0.0406% (0.20 1.0 0.02 0.02) = 0.041% HN ASP- 115 - HA SER 49 5.556% * 0.0340% (0.17 1.0 0.02 0.02) = 0.034% HN GLU- 45 - HA SER 49 5.556% * 0.0252% (0.12 1.0 0.02 0.02) = 0.025% HN VAL 94 - HA PRO 59 5.556% * 0.0245% (0.12 1.0 0.02 1.98) = 0.025% HN VAL 105 - HA PRO 59 5.556% * 0.0227% (0.11 1.0 0.02 0.02) = 0.023% HN THR 106 - HA PRO 59 5.556% * 0.0209% (0.10 1.0 0.02 0.02) = 0.021% HN ASP- 115 - HA PRO 59 5.556% * 0.0175% (0.09 1.0 0.02 0.02) = 0.018% HN GLU- 45 - HA PRO 59 5.556% * 0.0130% (0.06 1.0 0.02 0.02) = 0.013% Peak 548 (7.83, 1.39, 20.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 = 0.379, support = 1.69, residual support = 7.2: T HA LYS+ 44 - HA SER 49 10.000% * 59.1683% (0.50 1.0 10.00 1.23 0.60) = 59.168% kept O HB2 SER 49 - HA SER 49 10.000% * 39.7422% (0.21 10.0 1.00 2.40 17.21) = 39.742% kept T HA LYS+ 44 - HA PRO 59 10.000% * 0.4506% (0.24 1.0 10.00 0.02 0.02) = 0.451% HB3 SER 77 - HA SER 49 10.000% * 0.3867% (0.29 1.0 1.00 0.14 0.02) = 0.387% HB3 SER 85 - HA SER 49 10.000% * 0.1050% (0.55 1.0 1.00 0.02 0.02) = 0.105% HB3 SER 85 - HA PRO 59 10.000% * 0.0493% (0.26 1.0 1.00 0.02 0.02) = 0.049% HB THR 38 - HA SER 49 10.000% * 0.0361% (0.19 1.0 1.00 0.02 0.02) = 0.036% HB3 SER 77 - HA PRO 59 10.000% * 0.0262% (0.14 1.0 1.00 0.02 0.02) = 0.026% HB2 SER 49 - HA PRO 59 10.000% * 0.0187% (0.10 1.0 1.00 0.02 0.02) = 0.019% HB THR 38 - HA PRO 59 10.000% * 0.0170% (0.09 1.0 1.00 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 553 (2.03, 4.27, 61.68 ppm): 48 chemical-shift based assignments, quality = 0.128, support = 0.484, residual support = 0.389: T HB3 GLU- 45 - HA PRO 59 2.083% * 32.1498% (0.21 10.00 0.32 0.02) = 32.150% kept T HB2 GLU- 45 - HA PRO 59 2.083% * 21.1239% (0.14 10.00 0.32 0.02) = 21.124% kept T HB3 GLU- 45 - HA SER 49 2.083% * 20.5003% (0.07 10.00 0.67 0.02) = 20.500% kept HB3 GLU- 107 - HA THR 106 2.083% * 7.0023% (0.09 1.00 1.60 3.56) = 7.002% kept T HB2 GLU- 45 - HA SER 49 2.083% * 6.6168% (0.04 10.00 0.33 0.02) = 6.617% kept HB2 PRO 112 - HA PRO 59 2.083% * 2.7593% (0.14 1.00 0.42 0.02) = 2.759% kept HG2 GLU- 64 - HA PRO 59 2.083% * 1.8083% (0.08 1.00 0.49 0.87) = 1.808% kept T HB3 GLU- 75 - HA SER 49 2.083% * 1.6839% (0.04 10.00 0.09 0.02) = 1.684% kept HB VAL 105 - HA THR 106 2.083% * 1.3704% (0.02 1.00 1.39 7.84) = 1.370% kept T HB3 GLU- 75 - HA PRO 59 2.083% * 1.2257% (0.13 10.00 0.02 0.02) = 1.226% kept HG3 PRO 86 - HA SER 49 2.083% * 0.5948% (0.06 1.00 0.21 0.02) = 0.595% HB VAL 62 - HA SER 49 2.083% * 0.5251% (0.06 1.00 0.18 0.16) = 0.525% HB3 GLU- 107 - HA PRO 59 2.083% * 0.2133% (0.23 1.00 0.02 0.02) = 0.213% HB3 LYS+ 110 - HA PRO 59 2.083% * 0.2133% (0.23 1.00 0.02 0.02) = 0.213% HB VAL 62 - HA PRO 59 2.083% * 0.1866% (0.20 1.00 0.02 0.02) = 0.187% HG3 PRO 86 - HA PRO 59 2.083% * 0.1866% (0.20 1.00 0.02 0.02) = 0.187% HB3 PRO 31 - HA PRO 59 2.083% * 0.1562% (0.17 1.00 0.02 0.02) = 0.156% HB2 LYS+ 44 - HA PRO 59 2.083% * 0.1562% (0.17 1.00 0.02 0.02) = 0.156% HB3 PRO 112 - HA PRO 59 2.083% * 0.1132% (0.12 1.00 0.02 0.02) = 0.113% HG2 PRO 116 - HA PRO 59 2.083% * 0.1047% (0.11 1.00 0.02 0.02) = 0.105% HB3 LYS+ 110 - HA THR 106 2.083% * 0.0875% (0.09 1.00 0.02 0.02) = 0.087% HB3 GLU- 45 - HA THR 106 2.083% * 0.0815% (0.09 1.00 0.02 0.02) = 0.081% HB VAL 62 - HA THR 106 2.083% * 0.0766% (0.08 1.00 0.02 0.02) = 0.077% HG3 PRO 86 - HA THR 106 2.083% * 0.0766% (0.08 1.00 0.02 0.02) = 0.077% HB3 GLU- 107 - HA SER 49 2.083% * 0.0660% (0.07 1.00 0.02 0.02) = 0.066% HB3 LYS+ 110 - HA SER 49 2.083% * 0.0660% (0.07 1.00 0.02 0.02) = 0.066% HB3 PRO 31 - HA THR 106 2.083% * 0.0641% (0.07 1.00 0.02 0.02) = 0.064% HB2 LYS+ 44 - HA THR 106 2.083% * 0.0641% (0.07 1.00 0.02 0.02) = 0.064% HB2 GLU- 18 - HA PRO 59 2.083% * 0.0598% (0.06 1.00 0.02 0.02) = 0.060% HB2 PRO 112 - HA THR 106 2.083% * 0.0535% (0.06 1.00 0.02 0.02) = 0.054% HB2 GLU- 45 - HA THR 106 2.083% * 0.0535% (0.06 1.00 0.02 0.02) = 0.054% HB3 GLU- 75 - HA THR 106 2.083% * 0.0503% (0.05 1.00 0.02 0.02) = 0.050% HB3 PRO 31 - HA SER 49 2.083% * 0.0483% (0.05 1.00 0.02 0.02) = 0.048% HB2 LYS+ 44 - HA SER 49 2.083% * 0.0483% (0.05 1.00 0.02 0.60) = 0.048% HB VAL 105 - HA PRO 59 2.083% * 0.0479% (0.05 1.00 0.02 0.02) = 0.048% HB3 PRO 112 - HA THR 106 2.083% * 0.0464% (0.05 1.00 0.02 0.02) = 0.046% HG2 PRO 116 - HA THR 106 2.083% * 0.0430% (0.05 1.00 0.02 0.23) = 0.043% HB2 PRO 112 - HA SER 49 2.083% * 0.0404% (0.04 1.00 0.02 0.02) = 0.040% HB3 PRO 112 - HA SER 49 2.083% * 0.0350% (0.04 1.00 0.02 0.02) = 0.035% HG2 PRO 86 - HA PRO 59 2.083% * 0.0332% (0.04 1.00 0.02 0.02) = 0.033% HG2 PRO 116 - HA SER 49 2.083% * 0.0324% (0.03 1.00 0.02 0.02) = 0.032% HG2 GLU- 64 - HA THR 106 2.083% * 0.0301% (0.03 1.00 0.02 0.02) = 0.030% HB2 GLU- 18 - HA THR 106 2.083% * 0.0245% (0.03 1.00 0.02 0.02) = 0.025% HG2 GLU- 64 - HA SER 49 2.083% * 0.0227% (0.02 1.00 0.02 0.02) = 0.023% HB2 GLU- 18 - HA SER 49 2.083% * 0.0185% (0.02 1.00 0.02 0.02) = 0.019% HB VAL 105 - HA SER 49 2.083% * 0.0148% (0.02 1.00 0.02 0.02) = 0.015% HG2 PRO 86 - HA THR 106 2.083% * 0.0136% (0.01 1.00 0.02 0.02) = 0.014% HG2 PRO 86 - HA SER 49 2.083% * 0.0103% (0.01 1.00 0.02 0.02) = 0.010% Not enough quality. Peak unassigned. Peak 554 (1.96, 4.30, 61.72 ppm): 11 chemical-shift based assignments, quality = 0.0942, support = 0.274, residual support = 0.0264: HB2 LYS+ 108 - HA THR 106 9.091% * 36.8590% (0.05 1.00 0.67 0.02) = 36.859% kept T HB VAL 73 - HA THR 106 9.091% * 30.7930% (0.13 10.00 0.02 0.02) = 30.793% kept HG3 PRO 104 - HA THR 106 9.091% * 15.5133% (0.12 1.00 0.11 0.02) = 15.513% kept HB3 GLU- 109 - HA THR 106 9.091% * 3.4796% (0.15 1.00 0.02 0.02) = 3.480% kept HB VAL 122 - HA THR 106 9.091% * 3.4259% (0.14 1.00 0.02 0.02) = 3.426% kept HG3 PRO 116 - HA THR 106 9.091% * 3.1837% (0.13 1.00 0.02 0.23) = 3.184% kept HG3 PRO 31 - HA THR 106 9.091% * 2.1531% (0.09 1.00 0.02 0.02) = 2.153% kept HB3 LYS+ 55 - HA THR 106 9.091% * 2.0098% (0.08 1.00 0.02 0.02) = 2.010% kept HB2 GLU- 75 - HA THR 106 9.091% * 1.3323% (0.06 1.00 0.02 0.02) = 1.332% kept HG2 PRO 112 - HA THR 106 9.091% * 0.7025% (0.03 1.00 0.02 0.02) = 0.703% HB2 PRO 116 - HA THR 106 9.091% * 0.5477% (0.02 1.00 0.02 0.23) = 0.548% Not enough quality. Peak unassigned. Peak 555 (1.04, 0.89, 20.35 ppm): 3 chemical-shift based assignments, quality = 0.572, support = 1.23, residual support = 2.57: T HG LEU 74 - QG2 VAL 125 33.333% * 99.7986% (0.57 10.00 1.23 2.58) = 99.799% kept HG3 LYS+ 20 - QG2 VAL 125 33.333% * 0.1526% (0.54 1.00 0.02 0.02) = 0.153% HG13 ILE 100 - QG2 VAL 125 33.333% * 0.0489% (0.17 1.00 0.02 0.02) = 0.049% 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): 36 chemical-shift based assignments, quality = 0.0984, support = 0.876, residual support = 0.438: T QG1 VAL 94 - HA THR 106 2.778% * 27.2674% (0.04 10.00 0.73 0.02) = 27.267% kept HB ILE 101 - HA PRO 59 2.778% * 18.6580% (0.19 1.00 1.06 0.48) = 18.658% kept QD1 ILE 29 - HA PRO 59 2.778% * 12.1154% (0.18 1.00 0.75 0.16) = 12.115% kept QG1 VAL 94 - HA PRO 59 2.778% * 11.9263% (0.09 1.00 1.50 1.98) = 11.926% kept HG LEU 74 - HA THR 106 2.778% * 7.3683% (0.04 1.00 1.82 0.75) = 7.368% kept QG2 ILE 100 - HA PRO 59 2.778% * 5.2195% (0.09 1.00 0.60 0.58) = 5.219% kept QD1 ILE 29 - HA SER 49 2.778% * 4.9041% (0.10 1.00 0.56 0.02) = 4.904% kept HG LEU 74 - HA SER 49 2.778% * 2.4895% (0.05 1.00 0.53 0.02) = 2.489% kept T HG2 LYS+ 117 - HA THR 106 2.778% * 1.9872% (0.11 10.00 0.02 0.02) = 1.987% kept T HG3 LYS+ 117 - HA THR 106 2.778% * 1.8839% (0.10 10.00 0.02 0.02) = 1.884% kept HB ILE 101 - HA SER 49 2.778% * 1.8393% (0.10 1.00 0.19 0.02) = 1.839% kept QD2 LEU 17 - HA SER 49 2.778% * 0.6873% (0.02 1.00 0.30 0.02) = 0.687% HG2 LYS+ 117 - HA PRO 59 2.778% * 0.4218% (0.23 1.00 0.02 0.02) = 0.422% HG3 LYS+ 117 - HA PRO 59 2.778% * 0.3999% (0.22 1.00 0.02 0.02) = 0.400% T QD2 LEU 17 - HA THR 106 2.778% * 0.3941% (0.02 10.00 0.02 0.02) = 0.394% HG2 LYS+ 117 - HA SER 49 2.778% * 0.2304% (0.12 1.00 0.02 0.02) = 0.230% HG3 LYS+ 117 - HA SER 49 2.778% * 0.2184% (0.12 1.00 0.02 0.02) = 0.218% HG2 LYS+ 113 - HA PRO 59 2.778% * 0.1895% (0.10 1.00 0.02 0.02) = 0.190% QD1 LEU 90 - HA PRO 59 2.778% * 0.1895% (0.10 1.00 0.02 0.02) = 0.190% HG LEU 74 - HA PRO 59 2.778% * 0.1723% (0.09 1.00 0.02 0.02) = 0.172% HB ILE 101 - HA THR 106 2.778% * 0.1664% (0.09 1.00 0.02 0.02) = 0.166% QD1 ILE 29 - HA THR 106 2.778% * 0.1522% (0.08 1.00 0.02 0.02) = 0.152% HG3 LYS+ 113 - HA PRO 59 2.778% * 0.1175% (0.06 1.00 0.02 0.02) = 0.118% HG2 LYS+ 113 - HA SER 49 2.778% * 0.1035% (0.06 1.00 0.02 0.02) = 0.104% QD1 LEU 90 - HA SER 49 2.778% * 0.1035% (0.06 1.00 0.02 0.02) = 0.104% QG2 ILE 100 - HA SER 49 2.778% * 0.0949% (0.05 1.00 0.02 0.02) = 0.095% QD1 LEU 90 - HA THR 106 2.778% * 0.0893% (0.05 1.00 0.02 0.02) = 0.089% HG2 LYS+ 113 - HA THR 106 2.778% * 0.0893% (0.05 1.00 0.02 0.02) = 0.089% QG1 VAL 94 - HA SER 49 2.778% * 0.0867% (0.05 1.00 0.02 0.02) = 0.087% QD2 LEU 17 - HA PRO 59 2.778% * 0.0837% (0.05 1.00 0.02 0.02) = 0.084% QG2 ILE 100 - HA THR 106 2.778% * 0.0819% (0.04 1.00 0.02 0.02) = 0.082% QG2 VAL 122 - HA PRO 59 2.778% * 0.0740% (0.04 1.00 0.02 0.02) = 0.074% HG3 LYS+ 113 - HA SER 49 2.778% * 0.0642% (0.03 1.00 0.02 0.02) = 0.064% HG3 LYS+ 113 - HA THR 106 2.778% * 0.0554% (0.03 1.00 0.02 0.02) = 0.055% QG2 VAL 122 - HA SER 49 2.778% * 0.0404% (0.02 1.00 0.02 0.02) = 0.040% QG2 VAL 122 - HA THR 106 2.778% * 0.0349% (0.02 1.00 0.02 0.02) = 0.035% Not enough quality. Peak unassigned. Peak 558 (0.70, 4.26, 61.76 ppm): 30 chemical-shift based assignments, quality = 0.166, support = 1.46, residual support = 7.79: O HG2 PRO 59 - HA PRO 59 3.333% * 65.4628% (0.18 10.0 1.00 0.56) = 65.463% kept QG2 ILE 48 - HA SER 49 3.333% * 18.7660% (0.14 1.0 3.77 39.31) = 18.766% kept QG2 ILE 101 - HA PRO 59 3.333% * 6.3512% (0.16 1.0 1.12 0.48) = 6.351% kept QG2 ILE 101 - HA SER 49 3.333% * 2.8690% (0.16 1.0 0.51 0.02) = 2.869% kept QD1 ILE 19 - HA PRO 59 3.333% * 1.6514% (0.13 1.0 0.37 0.02) = 1.651% kept QG2 VAL 94 - HA THR 106 3.333% * 1.1377% (0.08 1.0 0.38 0.02) = 1.138% kept QG2 VAL 94 - HA PRO 59 3.333% * 1.0965% (0.11 1.0 0.28 1.98) = 1.096% kept QG2 ILE 48 - HA PRO 59 3.333% * 0.8902% (0.14 1.0 0.18 0.02) = 0.890% HG LEU 67 - HA SER 49 3.333% * 0.4930% (0.18 1.0 0.08 0.02) = 0.493% HG LEU 67 - HA PRO 59 3.333% * 0.1306% (0.18 1.0 0.02 0.02) = 0.131% HG2 PRO 59 - HA SER 49 3.333% * 0.1302% (0.18 1.0 0.02 0.02) = 0.130% HG2 PRO 59 - HA THR 106 3.333% * 0.0989% (0.14 1.0 0.02 0.02) = 0.099% HG LEU 67 - HA THR 106 3.333% * 0.0987% (0.14 1.0 0.02 0.02) = 0.099% QD1 ILE 19 - HA SER 49 3.333% * 0.0894% (0.13 1.0 0.02 0.02) = 0.089% QG2 ILE 101 - HA THR 106 3.333% * 0.0858% (0.12 1.0 0.02 0.02) = 0.086% QG2 VAL 94 - HA SER 49 3.333% * 0.0790% (0.11 1.0 0.02 0.02) = 0.079% QG2 ILE 48 - HA THR 106 3.333% * 0.0756% (0.11 1.0 0.02 0.02) = 0.076% HG12 ILE 19 - HA PRO 59 3.333% * 0.0741% (0.10 1.0 0.02 0.02) = 0.074% HG12 ILE 19 - HA SER 49 3.333% * 0.0737% (0.10 1.0 0.02 0.02) = 0.074% QD1 ILE 19 - HA THR 106 3.333% * 0.0679% (0.10 1.0 0.02 0.02) = 0.068% HG12 ILE 19 - HA THR 106 3.333% * 0.0560% (0.08 1.0 0.02 0.02) = 0.056% QG2 VAL 40 - HA PRO 59 3.333% * 0.0404% (0.06 1.0 0.02 0.02) = 0.040% QG2 VAL 40 - HA SER 49 3.333% * 0.0402% (0.06 1.0 0.02 0.02) = 0.040% QG2 VAL 40 - HA THR 106 3.333% * 0.0305% (0.04 1.0 0.02 0.02) = 0.031% QG1 VAL 62 - HA PRO 59 3.333% * 0.0202% (0.03 1.0 0.02 0.02) = 0.020% QD1 ILE 68 - HA PRO 59 3.333% * 0.0202% (0.03 1.0 0.02 0.02) = 0.020% QG1 VAL 62 - HA SER 49 3.333% * 0.0201% (0.03 1.0 0.02 0.16) = 0.020% QD1 ILE 68 - HA SER 49 3.333% * 0.0201% (0.03 1.0 0.02 0.02) = 0.020% QG1 VAL 62 - HA THR 106 3.333% * 0.0153% (0.02 1.0 0.02 0.02) = 0.015% QD1 ILE 68 - HA THR 106 3.333% * 0.0153% (0.02 1.0 0.02 0.02) = 0.015% Peak 559 (0.60, 0.86, 20.27 ppm): 1 chemical-shift based assignment, quality = 0.304, support = 0.0838, residual support = 0.02: QD1 LEU 23 - QG2 VAL 125 100.000% *100.0000% (0.30 0.08 0.02) = 100.000% kept Not enough support, support cutoff is 0.25 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): 4 chemical-shift based assignments, quality = 0.531, support = 1.44, residual support = 1.43: HN MET 97 - QB ALA 33 25.000% * 71.2253% (0.65 1.55 1.56) = 71.225% kept HN THR 96 - QB ALA 33 25.000% * 22.9867% (0.23 1.41 1.39) = 22.987% kept HN ARG+ 22 - QB ALA 33 25.000% * 5.5500% (0.28 0.28 0.02) = 5.550% kept HN PHE 21 - QB ALA 33 25.000% * 0.2380% (0.17 0.02 0.02) = 0.238% Peak 562 (8.78, 1.15, 19.89 ppm): 4 chemical-shift based assignments, quality = 0.483, support = 2.5, residual support = 5.27: HN PHE 34 - QB ALA 33 25.000% * 55.6355% (0.42 3.62 9.15) = 55.636% kept HN THR 95 - QB ALA 33 25.000% * 29.3217% (0.61 1.30 0.53) = 29.322% kept HN SER 69 - QB ALA 33 25.000% * 14.2154% (0.51 0.75 0.13) = 14.215% kept HN VAL 62 - QB ALA 33 25.000% * 0.8274% (0.29 0.08 0.02) = 0.827% Peak 563 (8.20, 1.14, 19.89 ppm): 7 chemical-shift based assignments, quality = 0.533, support = 2.92, residual support = 7.35: O HN ALA 33 - QB ALA 33 14.286% * 97.2181% (0.55 10.0 2.97 7.56) = 97.218% kept HN SER 49 - QB ALA 33 14.286% * 1.8656% (0.12 1.0 1.75 0.02) = 1.866% kept HN VAL 94 - QB ALA 33 14.286% * 0.5283% (0.44 1.0 0.13 0.23) = 0.528% HN LYS+ 117 - QB ALA 33 14.286% * 0.1172% (0.66 1.0 0.02 0.02) = 0.117% HN GLU- 45 - QB ALA 33 14.286% * 0.1089% (0.61 1.0 0.02 0.02) = 0.109% HN VAL 105 - QB ALA 33 14.286% * 0.0834% (0.47 1.0 0.02 0.02) = 0.083% HN ASN 119 - QB ALA 33 14.286% * 0.0785% (0.44 1.0 0.02 0.02) = 0.079% Peak 564 (4.95, 1.14, 19.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 565 (4.49, 1.15, 19.90 ppm): 9 chemical-shift based assignments, quality = 0.363, support = 1.01, residual support = 5.33: HA LYS+ 32 - QB ALA 33 11.111% * 36.2415% (0.25 1.89 14.53) = 36.241% kept HA CYS 123 - QB ALA 33 11.111% * 18.7372% (0.61 0.40 0.22) = 18.737% kept HA ASN 76 - QB ALA 33 11.111% * 12.9665% (0.66 0.25 0.02) = 12.966% kept HA ILE 101 - QB ALA 33 11.111% * 12.8128% (0.15 1.12 0.13) = 12.813% kept HA ILE 100 - QB ALA 33 11.111% * 9.1835% (0.16 0.72 0.02) = 9.183% kept HA SER 77 - QB ALA 33 11.111% * 4.5246% (0.55 0.11 0.02) = 4.525% kept HA LYS+ 55 - QB ALA 33 11.111% * 3.2423% (0.30 0.14 0.02) = 3.242% kept HB THR 46 - QB ALA 33 11.111% * 1.9758% (0.30 0.09 0.02) = 1.976% kept HA PRO 86 - QB ALA 33 11.111% * 0.3159% (0.20 0.02 0.02) = 0.316% Peak 566 (4.32, 1.38, 19.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 569 (2.14, 3.52, 61.29 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 570 (1.89, 1.15, 19.91 ppm): 11 chemical-shift based assignments, quality = 0.574, support = 0.727, residual support = 1.2: HG2 GLU- 18 - QB ALA 33 9.091% * 47.7055% (0.67 0.92 1.59) = 47.706% kept HB3 GLN 102 - QB ALA 33 9.091% * 26.1937% (0.44 0.77 1.51) = 26.194% kept HB3 CYS 123 - QB ALA 33 9.091% * 20.3593% (0.67 0.39 0.22) = 20.359% kept HB3 PRO 35 - QB ALA 33 9.091% * 1.9346% (0.11 0.24 0.02) = 1.935% kept HB3 MET 118 - QB ALA 33 9.091% * 0.8796% (0.57 0.02 0.02) = 0.880% HB3 GLU- 54 - QB ALA 33 9.091% * 0.7233% (0.47 0.02 0.02) = 0.723% HG3 LYS+ 120 - QB ALA 33 9.091% * 0.6387% (0.42 0.02 0.02) = 0.639% HB3 ARG+ 84 - QB ALA 33 9.091% * 0.5962% (0.39 0.02 0.02) = 0.596% HD3 LYS+ 63 - QB ALA 33 9.091% * 0.4721% (0.31 0.02 0.02) = 0.472% HB3 GLU- 56 - QB ALA 33 9.091% * 0.2626% (0.17 0.02 0.02) = 0.263% HB2 LEU 23 - QB ALA 33 9.091% * 0.2344% (0.15 0.02 0.02) = 0.234% Peak 571 (1.68, 1.41, 19.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 572 (1.71, 1.15, 20.01 ppm): 2 chemical-shift based assignments, quality = 0.591, support = 0.644, residual support = 1.3: HB ILE 48 - QB ALA 33 50.000% * 98.4943% (0.60 0.65 1.32) = 98.494% kept HB3 GLU- 50 - QB ALA 33 50.000% * 1.5057% (0.30 0.02 0.02) = 1.506% kept Peak 573 (1.62, 4.25, 61.41 ppm): 11 chemical-shift based assignments, quality = 0.851, support = 0.323, residual support = 0.45: HG12 ILE 101 - HA PRO 59 9.091% * 56.0854% (0.89 0.44 0.48) = 56.085% kept HB ILE 100 - HA PRO 59 9.091% * 30.5188% (0.89 0.24 0.58) = 30.519% kept HB2 LEU 67 - HA PRO 59 9.091% * 2.5440% (0.89 0.02 0.02) = 2.544% kept HG LEU 23 - HA PRO 59 9.091% * 2.4771% (0.86 0.02 0.02) = 2.477% kept HG3 LYS+ 78 - HA PRO 59 9.091% * 2.3694% (0.83 0.02 0.02) = 2.369% kept HG2 LYS+ 110 - HA PRO 59 9.091% * 1.5568% (0.54 0.02 0.02) = 1.557% kept HG3 LYS+ 110 - HA PRO 59 9.091% * 1.4532% (0.51 0.02 0.02) = 1.453% kept HB3 LEU 17 - HA PRO 59 9.091% * 1.0552% (0.37 0.02 0.02) = 1.055% kept HD3 LYS+ 32 - HA PRO 59 9.091% * 0.7922% (0.28 0.02 0.02) = 0.792% HB3 ARG+ 22 - HA PRO 59 9.091% * 0.6400% (0.22 0.02 0.02) = 0.640% HB3 MET 97 - HA PRO 59 9.091% * 0.5080% (0.18 0.02 0.02) = 0.508% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 574 (1.41, 4.32, 61.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 575 (1.32, 1.16, 19.85 ppm): 5 chemical-shift based assignments, quality = 0.199, support = 1.14, residual support = 1.68: T HG LEU 74 - QB ALA 33 20.000% * 87.2496% (0.19 10.00 1.19 1.91) = 87.250% kept QB ALA 103 - QB ALA 33 20.000% * 10.1658% (0.28 1.00 0.94 0.12) = 10.166% kept HB2 LEU 17 - QB ALA 33 20.000% * 1.5307% (0.07 1.00 0.56 0.02) = 1.531% kept QG2 THR 46 - QB ALA 33 20.000% * 0.9926% (0.14 1.00 0.18 0.02) = 0.993% HB2 LYS+ 55 - QB ALA 33 20.000% * 0.0613% (0.08 1.00 0.02 0.02) = 0.061% 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 (0.47) 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): 12 chemical-shift based assignments, quality = 0.343, support = 0.639, residual support = 0.565: HG LEU 74 - QB ALA 33 8.333% * 27.2790% (0.23 1.19 1.91) = 27.279% kept HB ILE 101 - QB ALA 33 8.333% * 25.8845% (0.40 0.65 0.13) = 25.884% kept QG2 ILE 100 - QB ALA 33 8.333% * 19.1135% (0.50 0.38 0.02) = 19.114% kept QG2 VAL 122 - QB ALA 33 8.333% * 10.4633% (0.42 0.25 0.02) = 10.463% kept QG2 VAL 47 - QB ALA 33 8.333% * 9.5333% (0.25 0.39 0.02) = 9.533% kept QG1 VAL 122 - QB ALA 33 8.333% * 4.2730% (0.17 0.25 0.02) = 4.273% kept QD1 LEU 90 - QB ALA 33 8.333% * 1.0014% (0.50 0.02 0.02) = 1.001% kept HG3 LYS+ 117 - QB ALA 33 8.333% * 0.6478% (0.33 0.02 0.02) = 0.648% QG1 VAL 40 - QB ALA 33 8.333% * 0.5669% (0.29 0.02 0.02) = 0.567% QG2 VAL 125 - QB ALA 33 8.333% * 0.5269% (0.26 0.02 0.02) = 0.527% HG2 LYS+ 117 - QB ALA 33 8.333% * 0.4874% (0.25 0.02 0.02) = 0.487% QG1 VAL 80 - QB ALA 33 8.333% * 0.2229% (0.11 0.02 0.02) = 0.223% Peak 581 (0.75, 3.52, 61.28 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 582 (0.74, 1.15, 20.06 ppm): 6 chemical-shift based assignments, quality = 0.255, support = 0.643, residual support = 0.769: QD1 ILE 68 - QB ALA 33 16.667% * 39.6685% (0.41 0.34 0.19) = 39.669% kept HG LEU 74 - QB ALA 33 16.667% * 36.0368% (0.11 1.19 1.91) = 36.037% kept HG12 ILE 100 - QB ALA 33 16.667% * 17.8609% (0.14 0.44 0.02) = 17.861% kept HG3 LYS+ 66 - QB ALA 33 16.667% * 3.1642% (0.56 0.02 0.02) = 3.164% kept HG3 LYS+ 44 - QB ALA 33 16.667% * 1.6984% (0.30 0.02 0.02) = 1.698% kept QG2 VAL 40 - QB ALA 33 16.667% * 1.5713% (0.28 0.02 0.02) = 1.571% kept 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 587 (4.26, 1.35, 19.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 8 chemical-shift based assignments, quality = 0.0544, support = 0.305, residual support = 0.132: HB3 LYS+ 20 - HA PRO 59 12.500% * 67.9199% (0.06 0.42 0.18) = 67.920% kept HG3 ARG+ 22 - HA PRO 59 12.500% * 13.4238% (0.03 0.14 0.02) = 13.424% kept QG2 THR 39 - HA PRO 59 12.500% * 4.7004% (0.08 0.02 0.02) = 4.700% kept HG2 LYS+ 78 - HA PRO 59 12.500% * 4.6485% (0.08 0.02 0.02) = 4.648% kept QB ALA 91 - HA PRO 59 12.500% * 2.8764% (0.05 0.02 0.02) = 2.876% kept HG LEU 74 - HA PRO 59 12.500% * 2.3427% (0.04 0.02 0.02) = 2.343% kept HD3 LYS+ 20 - HA PRO 59 12.500% * 2.3084% (0.04 0.02 0.18) = 2.308% kept HG13 ILE 19 - HA PRO 59 12.500% * 1.7799% (0.03 0.02 0.02) = 1.780% kept 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 15 chemical-shift based assignments, quality = 0.836, support = 2.49, residual support = 6.0: HN GLY 92 - QB ALA 91 6.667% * 83.2158% (0.87 2.89 7.14) = 83.216% kept HN GLU- 18 - QB ALA 91 6.667% * 13.8909% (0.74 0.57 0.46) = 13.891% kept HN LYS+ 113 - QB ALA 91 6.667% * 1.9442% (0.61 0.10 0.02) = 1.944% kept HN GLU- 107 - QB ALA 91 6.667% * 0.4906% (0.74 0.02 0.02) = 0.491% HN LEU 74 - QB ALA 91 6.667% * 0.1813% (0.27 0.02 0.02) = 0.181% HN GLY 92 - QB ALA 37 6.667% * 0.0378% (0.06 0.02 0.02) = 0.038% HN GLY 92 - QB ALA 42 6.667% * 0.0367% (0.06 0.02 0.02) = 0.037% HN GLU- 18 - QB ALA 37 6.667% * 0.0322% (0.05 0.02 0.02) = 0.032% HN GLU- 107 - QB ALA 37 6.667% * 0.0322% (0.05 0.02 0.02) = 0.032% HN GLU- 18 - QB ALA 42 6.667% * 0.0313% (0.05 0.02 0.02) = 0.031% HN GLU- 107 - QB ALA 42 6.667% * 0.0313% (0.05 0.02 0.02) = 0.031% HN LYS+ 113 - QB ALA 37 6.667% * 0.0265% (0.04 0.02 0.02) = 0.026% HN LYS+ 113 - QB ALA 42 6.667% * 0.0257% (0.04 0.02 0.02) = 0.026% HN LEU 74 - QB ALA 37 6.667% * 0.0119% (0.02 0.02 0.36) = 0.012% HN LEU 74 - QB ALA 42 6.667% * 0.0116% (0.02 0.02 0.12) = 0.012% Peak 674 (8.29, 1.37, 18.89 ppm): 5 chemical-shift based assignments, quality = 0.861, support = 2.87, residual support = 6.64: O HN ALA 91 - QB ALA 91 20.000% * 95.8584% (0.89 10.0 2.96 6.92) = 95.858% kept HN VAL 99 - QB ALA 91 20.000% * 2.5084% (0.40 1.0 1.18 0.22) = 2.508% kept HN ASP- 28 - QB ALA 91 20.000% * 0.9127% (0.89 1.0 0.19 0.02) = 0.913% HN ASN 89 - QB ALA 91 20.000% * 0.7045% (0.54 1.0 0.24 0.02) = 0.704% HN ASN 76 - QB ALA 91 20.000% * 0.0160% (0.15 1.0 0.02 0.02) = 0.016% Peak 675 (7.77, 1.43, 18.94 ppm): 5 chemical-shift based assignments, quality = 0.428, support = 2.97, residual support = 11.1: O HN ALA 37 - QB ALA 37 20.000% * 99.7116% (0.43 10.0 2.98 11.08) = 99.712% kept HN SER 124 - QB ALA 37 20.000% * 0.1040% (0.45 1.0 0.02 0.02) = 0.104% HN VAL 125 - QB ALA 37 20.000% * 0.0952% (0.41 1.0 0.02 0.02) = 0.095% HN THR 46 - QB ALA 37 20.000% * 0.0467% (0.20 1.0 0.02 0.02) = 0.047% HN VAL 87 - QB ALA 37 20.000% * 0.0425% (0.18 1.0 0.02 0.02) = 0.042% 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): 10 chemical-shift based assignments, quality = 0.384, support = 1.9, residual support = 10.7: O T HA ALA 37 - QB ALA 37 10.000% * 92.2830% (0.39 10.0 10.00 1.90 11.08) = 92.283% kept HA THR 38 - QB ALA 37 10.000% * 7.0953% (0.29 1.0 1.00 2.12 7.05) = 7.095% kept HA SER 88 - QB ALA 37 10.000% * 0.1226% (0.52 1.0 1.00 0.02 0.02) = 0.123% HA TRP 51 - QB ALA 37 10.000% * 0.1202% (0.51 1.0 1.00 0.02 0.02) = 0.120% HA THR 95 - QB ALA 37 10.000% * 0.1102% (0.47 1.0 1.00 0.02 0.02) = 0.110% HA ASN 57 - QB ALA 37 10.000% * 0.0971% (0.42 1.0 1.00 0.02 0.02) = 0.097% HA LYS+ 60 - QB ALA 37 10.000% * 0.0822% (0.35 1.0 1.00 0.02 0.02) = 0.082% HA THR 24 - QB ALA 37 10.000% * 0.0353% (0.15 1.0 1.00 0.02 0.02) = 0.035% HA2 GLY 26 - QB ALA 37 10.000% * 0.0317% (0.14 1.0 1.00 0.02 0.02) = 0.032% HA LYS+ 117 - QB ALA 37 10.000% * 0.0223% (0.10 1.0 1.00 0.02 0.02) = 0.022% 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): 12 chemical-shift based assignments, quality = 0.845, support = 0.821, residual support = 0.197: HA GLU- 18 - QB ALA 91 8.333% * 40.4129% (0.85 1.00 1.13 0.46) = 40.413% kept HA SER 49 - QB ALA 91 8.333% * 33.5506% (0.88 1.00 0.90 0.02) = 33.551% kept HA GLU- 54 - QB ALA 91 8.333% * 15.4370% (0.93 1.00 0.39 0.02) = 15.437% kept T HA PRO 59 - QB ALA 91 8.333% * 7.4194% (0.88 10.00 0.02 0.02) = 7.419% kept HA LYS+ 108 - QB ALA 91 8.333% * 0.7176% (0.85 1.00 0.02 0.02) = 0.718% HA2 GLY 114 - QB ALA 91 8.333% * 0.5018% (0.59 1.00 0.02 0.02) = 0.502% HA ALA 42 - QB ALA 91 8.333% * 0.4353% (0.51 1.00 0.02 0.02) = 0.435% HA GLU- 56 - QB ALA 91 8.333% * 0.4027% (0.48 1.00 0.02 0.02) = 0.403% HA LYS+ 110 - QB ALA 91 8.333% * 0.4027% (0.48 1.00 0.02 0.02) = 0.403% HB3 SER 49 - QB ALA 91 8.333% * 0.3709% (0.44 1.00 0.02 0.02) = 0.371% HA GLU- 75 - QB ALA 91 8.333% * 0.2300% (0.27 1.00 0.02 0.02) = 0.230% HA LYS+ 44 - QB ALA 91 8.333% * 0.1191% (0.14 1.00 0.02 0.02) = 0.119% 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 37 - QB ALA 37 (0.47) kept Peak 698 (8.60, 1.56, 18.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 699 (8.00, 1.56, 18.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 700 (7.74, 1.56, 18.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 701 (4.23, 1.56, 18.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 702 (4.03, 1.56, 18.52 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 705 (1.56, 1.56, 18.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 710 (1.07, 1.56, 18.56 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 712 (0.93, 1.56, 18.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 715 (0.39, 3.87, 59.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 716 (8.37, 1.31, 18.21 ppm): 4 chemical-shift based assignments, quality = 0.528, support = 2.57, residual support = 7.4: O HN ALA 103 - QB ALA 103 25.000% * 97.9242% (0.52 10.0 2.62 7.56) = 97.924% kept HN GLY 71 - QB ALA 103 25.000% * 1.8508% (0.86 1.0 0.23 0.02) = 1.851% kept HN LYS+ 108 - QB ALA 103 25.000% * 0.1400% (0.75 1.0 0.02 0.02) = 0.140% HN GLU- 109 - QB ALA 103 25.000% * 0.0849% (0.45 1.0 0.02 0.02) = 0.085% Peak 717 (8.23, 3.87, 59.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 718 (8.26, 3.69, 59.69 ppm): 8 chemical-shift based assignments, quality = 0.245, support = 2.61, residual support = 6.34: O HN LYS+ 81 - HA LYS+ 81 12.500% * 98.3244% (0.24 10.0 2.65 6.45) = 98.324% kept HN THR 106 - HA LYS+ 81 12.500% * 1.1041% (0.52 1.0 0.10 0.02) = 1.104% kept HN ASP- 115 - HA LYS+ 81 12.500% * 0.2174% (0.54 1.0 0.02 0.02) = 0.217% HN ASN 89 - HA LYS+ 81 12.500% * 0.0983% (0.24 1.0 0.02 0.02) = 0.098% HN LEU 67 - HA LYS+ 81 12.500% * 0.0983% (0.24 1.0 0.02 0.02) = 0.098% HN GLY 58 - HA LYS+ 81 12.500% * 0.0748% (0.18 1.0 0.02 0.02) = 0.075% HN SER 49 - HA LYS+ 81 12.500% * 0.0488% (0.12 1.0 0.02 0.02) = 0.049% HN ASP- 28 - HA LYS+ 81 12.500% * 0.0338% (0.08 1.0 0.02 0.02) = 0.034% Peak 719 (4.53, 1.30, 18.21 ppm): 6 chemical-shift based assignments, quality = 0.814, support = 2.8, residual support = 7.54: O HA ALA 103 - QB ALA 103 16.667% * 99.7276% (0.82 10.0 2.81 7.56) = 99.728% kept HA LYS+ 78 - QB ALA 103 16.667% * 0.0997% (0.82 1.0 0.02 0.02) = 0.100% HA LEU 17 - QB ALA 103 16.667% * 0.0627% (0.51 1.0 0.02 0.02) = 0.063% HA THR 79 - QB ALA 103 16.667% * 0.0585% (0.48 1.0 0.02 0.02) = 0.059% HB THR 46 - QB ALA 103 16.667% * 0.0258% (0.21 1.0 0.02 0.02) = 0.026% HA LYS+ 55 - QB ALA 103 16.667% * 0.0258% (0.21 1.0 0.02 0.02) = 0.026% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 723 (3.76, 1.30, 18.20 ppm): 5 chemical-shift based assignments, quality = 0.648, support = 3.21, residual support = 11.0: T HD3 PRO 104 - QB ALA 103 20.000% * 90.9891% (0.64 10.00 3.37 12.02) = 90.989% kept HA ILE 48 - QB ALA 103 20.000% * 8.8161% (0.74 1.00 1.68 0.40) = 8.816% kept HB3 SER 27 - QB ALA 103 20.000% * 0.1167% (0.82 1.00 0.02 0.02) = 0.117% HA LEU 43 - QB ALA 103 20.000% * 0.0534% (0.38 1.00 0.02 0.02) = 0.053% HA LYS+ 44 - QB ALA 103 20.000% * 0.0247% (0.17 1.00 0.02 0.02) = 0.025% Peak 724 (3.70, 3.69, 59.64 ppm): 1 diagonal assignment: HA LYS+ 81 - HA LYS+ 81 (0.18) kept Peak 725 (3.61, 1.31, 18.21 ppm): 3 chemical-shift based assignments, quality = 0.357, support = 2.51, residual support = 8.2: T HD2 PRO 104 - QB ALA 103 33.333% * 67.3322% (0.22 10.00 2.91 12.02) = 67.332% kept HA ILE 48 - QB ALA 103 33.333% * 19.0588% (0.73 1.00 1.68 0.40) = 19.059% kept HD2 PRO 112 - QB ALA 103 33.333% * 13.6090% (0.53 1.00 1.66 0.20) = 13.609% kept Peak 726 (2.05, 3.87, 59.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 5 chemical-shift based assignments, quality = 0.235, support = 0.985, residual support = 0.414: HG3 ARG+ 84 - HA LYS+ 81 20.000% * 40.5464% (0.21 1.55 0.85) = 40.546% kept HD3 LYS+ 55 - HA LYS+ 81 20.000% * 17.7936% (0.33 0.43 0.02) = 17.794% kept HB3 MET 126 - HA LYS+ 81 20.000% * 17.6134% (0.37 0.38 0.02) = 17.613% kept HB3 MET 97 - HA LYS+ 81 20.000% * 14.8060% (0.12 0.97 0.31) = 14.806% kept HB3 ARG+ 22 - HA LYS+ 81 20.000% * 9.2406% (0.10 0.75 0.16) = 9.241% kept 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): 5 chemical-shift based assignments, quality = 0.221, support = 0.832, residual support = 2.07: HG LEU 74 - HA LYS+ 81 20.000% * 93.5476% (0.22 0.89 2.21) = 93.548% kept QB ALA 103 - HA LYS+ 81 20.000% * 3.1219% (0.33 0.02 0.02) = 3.122% kept QG2 THR 46 - HA LYS+ 81 20.000% * 1.6571% (0.17 0.02 0.02) = 1.657% kept HB2 LYS+ 55 - HA LYS+ 81 20.000% * 0.9722% (0.10 0.02 0.02) = 0.972% HB2 LEU 17 - HA LYS+ 81 20.000% * 0.7012% (0.07 0.02 0.02) = 0.701% Peak 734 (1.31, 1.31, 18.21 ppm): 1 diagonal assignment: QB ALA 103 - QB ALA 103 (0.86) kept Peak 746 (8.91, 0.71, 17.81 ppm): 3 chemical-shift based assignments, quality = 0.414, support = 3.39, residual support = 20.0: HN GLN 102 - QG2 ILE 101 33.333% * 99.8072% (0.41 3.40 20.00) = 99.807% kept HN PHE 21 - QG2 ILE 101 33.333% * 0.1088% (0.08 0.02 0.02) = 0.109% HN ASP- 36 - QG2 ILE 101 33.333% * 0.0841% (0.06 0.02 0.02) = 0.084% Peak 747 (8.83, 0.68, 17.95 ppm): 3 chemical-shift based assignments, quality = 0.215, support = 0.229, residual support = 0.02: HN LYS+ 60 - QG2 ILE 101 33.333% * 88.3049% (0.22 0.26 0.02) = 88.305% kept HN LYS+ 32 - QG2 ILE 101 33.333% * 6.1786% (0.20 0.02 0.02) = 6.179% kept HN ASN 57 - QG2 ILE 101 33.333% * 5.5166% (0.18 0.02 0.02) = 5.517% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 748 (8.75, 0.86, 17.86 ppm): 4 chemical-shift based assignments, quality = 0.664, support = 3.2, residual support = 8.21: HN ILE 101 - QG2 ILE 100 25.000% * 89.2745% (0.67 3.55 9.19) = 89.274% kept HN PHE 34 - QG2 ILE 100 25.000% * 7.1980% (0.57 0.34 0.02) = 7.198% kept HN VAL 62 - QG2 ILE 100 25.000% * 3.0502% (0.73 0.11 0.11) = 3.050% kept HN GLU- 56 - QG2 ILE 100 25.000% * 0.4774% (0.64 0.02 0.02) = 0.477% Peak 749 (8.39, 0.68, 17.95 ppm): 2 chemical-shift based assignments, quality = 0.0903, support = 0.208, residual support = 0.148: HN GLY 71 - QG2 ILE 101 50.000% * 84.4474% (0.10 0.23 0.17) = 84.447% kept HN LYS+ 108 - QG2 ILE 101 50.000% * 15.5526% (0.05 0.09 0.02) = 15.553% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 750 (8.09, 4.37, 59.12 ppm): 5 chemical-shift based assignments, quality = 0.106, support = 2.88, residual support = 11.7: O HN SER 88 - HA SER 88 20.000% * 89.7068% (0.09 10.0 3.16 13.00) = 89.707% kept HN CYS 121 - HA SER 88 20.000% * 5.0869% (0.22 1.0 0.48 0.02) = 5.087% kept HN LYS+ 110 - HA SER 88 20.000% * 4.8749% (0.22 1.0 0.46 0.02) = 4.875% kept HN VAL 122 - HA SER 88 20.000% * 0.2805% (0.29 1.0 0.02 0.02) = 0.280% HN GLY 26 - HA SER 88 20.000% * 0.0509% (0.05 1.0 0.02 0.02) = 0.051% Peak 751 (7.97, 0.67, 17.97 ppm): 2 chemical-shift based assignments, quality = 0.121, support = 0.02, residual support = 0.02: HN LEU 43 - QG2 ILE 101 50.000% * 51.6106% (0.12 0.02 0.02) = 51.611% kept HN LYS+ 72 - QG2 ILE 101 50.000% * 48.3894% (0.12 0.02 0.02) = 48.389% kept Not enough support, support cutoff is 0.25 Peak unassigned. 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): 2 chemical-shift based assignments, quality = 0.111, support = 0.02, residual support = 0.0945: HA ILE 68 - QG2 ILE 101 50.000% * 73.1495% (0.13 0.02 0.12) = 73.150% kept HA PHE 34 - QG2 ILE 101 50.000% * 26.8505% (0.05 0.02 0.02) = 26.850% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 754 (4.95, 0.71, 17.82 ppm): 1 chemical-shift based assignment, quality = 0.0827, support = 0.02, residual support = 0.02: HA HIS+ 98 - QG2 ILE 101 100.000% *100.0000% (0.08 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 756 (4.54, 4.39, 59.28 ppm): 5 chemical-shift based assignments, quality = 0.682, support = 0.43, residual support = 0.282: HA LYS+ 78 - HA SER 88 20.000% * 46.1208% (0.47 0.70 0.59) = 46.121% kept HA LEU 17 - HA SER 88 20.000% * 30.1187% (0.88 0.24 0.02) = 30.119% kept HA THR 79 - HA SER 88 20.000% * 21.0319% (0.87 0.17 0.02) = 21.032% kept HA ALA 103 - HA SER 88 20.000% * 2.1013% (0.75 0.02 0.02) = 2.101% kept HA LYS+ 72 - HA SER 88 20.000% * 0.6273% (0.22 0.02 0.02) = 0.627% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 757 (4.47, 0.86, 17.88 ppm): 9 chemical-shift based assignments, quality = 0.623, support = 2.04, residual support = 15.8: O HA ILE 100 - QG2 ILE 100 11.111% * 87.9219% (0.64 10.0 2.11 17.03) = 87.922% kept HA ILE 101 - QG2 ILE 100 11.111% * 6.9586% (0.61 1.0 1.67 9.19) = 6.959% kept HA VAL 99 - QG2 ILE 100 11.111% * 3.7777% (0.31 1.0 1.75 4.96) = 3.778% kept HA LYS+ 32 - QG2 ILE 100 11.111% * 1.0327% (0.75 1.0 0.20 0.02) = 1.033% kept HA PRO 86 - QG2 ILE 100 11.111% * 0.0961% (0.70 1.0 0.02 0.02) = 0.096% HA ASN 76 - QG2 ILE 100 11.111% * 0.0698% (0.51 1.0 0.02 0.02) = 0.070% HA GLU- 50 - QG2 ILE 100 11.111% * 0.0605% (0.44 1.0 0.02 0.02) = 0.061% HA CYS 123 - QG2 ILE 100 11.111% * 0.0473% (0.34 1.0 0.02 0.02) = 0.047% HA SER 77 - QG2 ILE 100 11.111% * 0.0355% (0.26 1.0 0.02 0.02) = 0.036% Peak 758 (4.38, 4.37, 59.27 ppm): 1 diagonal assignment: HA SER 88 - HA SER 88 (0.41) kept Peak 759 (4.24, 0.71, 17.84 ppm): 13 chemical-shift based assignments, quality = 0.445, support = 0.859, residual support = 0.52: T HA PRO 59 - QG2 ILE 101 7.692% * 51.5115% (0.50 10.00 1.12 0.48) = 51.511% kept T HA GLU- 18 - QG2 ILE 101 7.692% * 23.6089% (0.39 10.00 0.65 0.93) = 23.609% kept T HA SER 49 - QG2 ILE 101 7.692% * 19.4154% (0.41 10.00 0.51 0.02) = 19.415% kept HA GLU- 54 - QG2 ILE 101 7.692% * 2.7051% (0.45 1.00 0.65 0.02) = 2.705% kept HA GLU- 75 - QG2 ILE 101 7.692% * 1.5558% (0.19 1.00 0.87 3.18) = 1.556% kept HA LYS+ 108 - QG2 ILE 101 7.692% * 0.5004% (0.49 1.00 0.11 0.02) = 0.500% T HA LYS+ 110 - QG2 ILE 101 7.692% * 0.3582% (0.19 10.00 0.02 0.02) = 0.358% T HA LYS+ 44 - QG2 ILE 101 7.692% * 0.1312% (0.07 10.00 0.02 0.02) = 0.131% HA2 GLY 114 - QG2 ILE 101 7.692% * 0.0693% (0.37 1.00 0.02 0.02) = 0.069% HA GLU- 56 - QG2 ILE 101 7.692% * 0.0579% (0.31 1.00 0.02 0.02) = 0.058% HA ALA 42 - QG2 ILE 101 7.692% * 0.0392% (0.21 1.00 0.02 0.02) = 0.039% HB3 SER 49 - QG2 ILE 101 7.692% * 0.0326% (0.18 1.00 0.02 0.02) = 0.033% HA ARG+ 84 - QG2 ILE 101 7.692% * 0.0147% (0.08 1.00 0.02 0.02) = 0.015% Peak 760 (4.15, 0.67, 17.97 ppm): 5 chemical-shift based assignments, quality = 0.0573, support = 0.618, residual support = 0.141: T HA VAL 73 - QG2 ILE 101 20.000% * 83.2083% (0.05 10.00 0.66 0.10) = 83.208% kept HD2 PRO 59 - QG2 ILE 101 20.000% * 11.5571% (0.08 1.00 0.62 0.48) = 11.557% kept T HA LYS+ 44 - QG2 ILE 101 20.000% * 3.9196% (0.08 10.00 0.02 0.02) = 3.920% kept HB2 SER 88 - QG2 ILE 101 20.000% * 0.7618% (0.16 1.00 0.02 0.02) = 0.762% HA2 GLY 71 - QG2 ILE 101 20.000% * 0.5532% (0.12 1.00 0.02 0.17) = 0.553% Not enough quality. Peak unassigned. 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): 7 chemical-shift based assignments, quality = 0.14, support = 0.0197, residual support = 0.0984: T HA1 GLY 71 - QG2 ILE 101 14.286% * 51.9345% (0.19 10.00 0.02 0.17) = 51.934% kept T HA VAL 62 - QG2 ILE 101 14.286% * 22.5706% (0.08 10.00 0.02 0.02) = 22.571% kept T HA ILE 48 - QG2 ILE 101 14.286% * 13.9130% (0.05 10.00 0.02 0.02) = 13.913% kept HD3 PRO 31 - QG2 ILE 101 14.286% * 5.0680% (0.18 1.00 0.02 0.02) = 5.068% kept HA VAL 80 - QG2 ILE 101 14.286% * 4.9237% (0.18 1.00 0.02 0.02) = 4.924% kept HB THR 79 - QG2 ILE 101 14.286% * 0.8471% (0.03 1.00 0.02 0.02) = 0.847% HB2 SER 69 - QG2 ILE 101 14.286% * 0.7430% (0.03 1.00 0.02 0.02) = 0.743% Not enough support, support cutoff is 0.25 Peak unassigned. 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): 5 chemical-shift based assignments, quality = 0.748, support = 0.203, residual support = 0.02: HB3 MET 97 - QG2 ILE 100 20.000% * 51.2134% (0.75 0.29 0.02) = 51.213% kept HB3 ARG+ 22 - QG2 ILE 100 20.000% * 24.6388% (0.69 0.15 0.02) = 24.639% kept HG3 ARG+ 84 - QG2 ILE 100 20.000% * 19.6849% (0.86 0.10 0.02) = 19.685% kept HB3 MET 126 - QG2 ILE 100 20.000% * 3.3126% (0.69 0.02 0.02) = 3.313% kept HD3 LYS+ 55 - QG2 ILE 100 20.000% * 1.1502% (0.24 0.02 0.02) = 1.150% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 782 (1.63, 0.71, 17.86 ppm): 12 chemical-shift based assignments, quality = 0.542, support = 2.25, residual support = 25.4: O HG12 ILE 101 - QG2 ILE 101 8.333% * 92.7809% (0.55 10.0 2.36 26.87) = 92.781% kept HB ILE 100 - QG2 ILE 101 8.333% * 5.2799% (0.55 1.0 1.14 9.19) = 5.280% kept HB2 LEU 67 - QG2 ILE 101 8.333% * 0.8710% (0.55 1.0 0.19 0.02) = 0.871% HB3 MET 97 - QG2 ILE 101 8.333% * 0.5344% (0.24 1.0 0.27 0.02) = 0.534% HB3 ARG+ 22 - QG2 ILE 101 8.333% * 0.2521% (0.28 1.0 0.11 0.02) = 0.252% HG LEU 23 - QG2 ILE 101 8.333% * 0.0961% (0.57 1.0 0.02 0.56) = 0.096% HG3 LYS+ 78 - QG2 ILE 101 8.333% * 0.0674% (0.40 1.0 0.02 0.02) = 0.067% HG2 LYS+ 110 - QG2 ILE 101 8.333% * 0.0335% (0.20 1.0 0.02 0.02) = 0.033% HG3 LYS+ 110 - QG2 ILE 101 8.333% * 0.0303% (0.18 1.0 0.02 0.02) = 0.030% HG3 ARG+ 84 - QG2 ILE 101 8.333% * 0.0218% (0.13 1.0 0.02 0.02) = 0.022% HB3 LEU 17 - QG2 ILE 101 8.333% * 0.0194% (0.12 1.0 0.02 0.02) = 0.019% HD3 LYS+ 32 - QG2 ILE 101 8.333% * 0.0133% (0.08 1.0 0.02 0.02) = 0.013% Peak 786 (1.40, 0.86, 17.83 ppm): 11 chemical-shift based assignments, quality = 0.398, support = 2.49, residual support = 10.9: T HG LEU 74 - QG2 ILE 100 9.091% * 98.6967% (0.40 10.00 2.52 11.04) = 98.697% kept QB ALA 42 - QG2 ILE 100 9.091% * 0.2264% (0.93 1.00 0.02 0.02) = 0.226% QG2 THR 38 - QG2 ILE 100 9.091% * 0.2166% (0.89 1.00 0.02 0.02) = 0.217% QB ALA 37 - QG2 ILE 100 9.091% * 0.2166% (0.89 1.00 0.02 0.02) = 0.217% HD3 LYS+ 20 - QG2 ILE 100 9.091% * 0.1960% (0.80 1.00 0.02 0.02) = 0.196% HG3 LYS+ 108 - QG2 ILE 100 9.091% * 0.1234% (0.50 1.00 0.02 0.02) = 0.123% HD3 LYS+ 44 - QG2 ILE 100 9.091% * 0.1234% (0.50 1.00 0.02 0.02) = 0.123% QG2 THR 39 - QG2 ILE 100 9.091% * 0.0585% (0.24 1.00 0.02 0.02) = 0.058% HD3 LYS+ 113 - QG2 ILE 100 9.091% * 0.0585% (0.24 1.00 0.02 0.20) = 0.058% HG3 LYS+ 55 - QG2 ILE 100 9.091% * 0.0522% (0.21 1.00 0.02 0.02) = 0.052% HG2 LYS+ 78 - QG2 ILE 100 9.091% * 0.0317% (0.13 1.00 0.02 0.02) = 0.032% Peak 789 (1.29, 0.72, 17.82 ppm): 6 chemical-shift based assignments, quality = 0.319, support = 2.96, residual support = 12.8: T HG LEU 74 - QG2 ILE 101 16.667% * 93.5289% (0.32 10.00 3.08 12.86) = 93.529% kept HB3 LEU 74 - QG2 ILE 101 16.667% * 6.1375% (0.35 1.00 1.20 12.86) = 6.137% kept HB2 LYS+ 55 - QG2 ILE 101 16.667% * 0.1278% (0.43 1.00 0.02 0.02) = 0.128% QG2 THR 46 - QG2 ILE 101 16.667% * 0.1212% (0.41 1.00 0.02 0.02) = 0.121% QB ALA 103 - QG2 ILE 101 16.667% * 0.0527% (0.18 1.00 0.02 1.39) = 0.053% HG2 LYS+ 32 - QG2 ILE 101 16.667% * 0.0319% (0.11 1.00 0.02 0.02) = 0.032% 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): 1 diagonal assignment: QG2 ILE 101 - QG2 ILE 101 (0.08) 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 10 chemical-shift based assignments, quality = 0.175, support = 1.41, residual support = 12.2: O T HB3 SER 88 - HA SER 88 10.000% * 85.2764% (0.17 10.0 10.00 1.45 13.00) = 85.276% kept HA VAL 87 - HA SER 88 10.000% * 9.2151% (0.20 1.0 1.00 1.78 12.42) = 9.215% kept HA LYS+ 44 - HA SER 88 10.000% * 1.8864% (0.21 1.0 1.00 0.36 0.14) = 1.886% kept T HA VAL 125 - HA SER 88 10.000% * 1.4929% (0.30 1.0 10.00 0.02 0.02) = 1.493% kept T HB2 SER 85 - HA SER 88 10.000% * 1.4248% (0.28 1.0 10.00 0.02 0.02) = 1.425% kept T HB3 SER 77 - HA SER 88 10.000% * 0.3320% (0.07 1.0 10.00 0.02 0.02) = 0.332% HD2 PRO 116 - HA SER 88 10.000% * 0.1454% (0.29 1.0 1.00 0.02 0.24) = 0.145% HD2 PRO 86 - HA SER 88 10.000% * 0.1390% (0.27 1.0 1.00 0.02 0.02) = 0.139% HA ILE 48 - HA SER 88 10.000% * 0.0582% (0.12 1.0 1.00 0.02 0.02) = 0.058% HD3 PRO 86 - HA SER 88 10.000% * 0.0298% (0.06 1.0 1.00 0.02 0.02) = 0.030% Peak 818 (1.37, 4.38, 59.17 ppm): 9 chemical-shift based assignments, quality = 0.37, support = 0.444, residual support = 0.316: HG2 LYS+ 78 - HA SER 88 11.111% * 52.1335% (0.41 0.62 0.59) = 52.134% kept HB3 LYS+ 20 - HA SER 88 11.111% * 21.1120% (0.41 0.25 0.02) = 21.112% kept HG LEU 74 - HA SER 88 11.111% * 16.8581% (0.23 0.37 0.02) = 16.858% kept HG13 ILE 19 - HA SER 88 11.111% * 4.8479% (0.30 0.08 0.02) = 4.848% kept QB ALA 91 - HA SER 88 11.111% * 1.5919% (0.39 0.02 0.02) = 1.592% kept QG2 THR 39 - HA SER 88 11.111% * 1.4213% (0.35 0.02 0.02) = 1.421% kept HG3 ARG+ 22 - HA SER 88 11.111% * 1.2889% (0.32 0.02 0.02) = 1.289% kept HD3 LYS+ 20 - HA SER 88 11.111% * 0.3952% (0.10 0.02 0.02) = 0.395% HB2 LEU 17 - HA SER 88 11.111% * 0.3513% (0.09 0.02 0.02) = 0.351% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 824 (0.89, 4.38, 59.13 ppm): 14 chemical-shift based assignments, quality = 0.258, support = 0.916, residual support = 6.48: QG2 VAL 87 - HA SER 88 7.143% * 52.1403% (0.26 1.56 12.42) = 52.140% kept HG LEU 74 - HA SER 88 7.143% * 10.6737% (0.22 0.37 0.02) = 10.674% kept QG2 VAL 105 - HA SER 88 7.143% * 8.6515% (0.32 0.21 0.02) = 8.651% kept QG1 VAL 80 - HA SER 88 7.143% * 8.6407% (0.42 0.16 0.02) = 8.641% kept QD1 LEU 67 - HA SER 88 7.143% * 8.5441% (0.27 0.24 0.02) = 8.544% kept QD1 LEU 90 - HA SER 88 7.143% * 3.2519% (0.11 0.24 0.02) = 3.252% kept HG13 ILE 68 - HA SER 88 7.143% * 2.4341% (0.24 0.08 0.02) = 2.434% kept QG1 VAL 122 - HA SER 88 7.143% * 1.0780% (0.41 0.02 0.02) = 1.078% kept QG2 VAL 47 - HA SER 88 7.143% * 0.9863% (0.38 0.02 0.02) = 0.986% QG2 VAL 125 - HA SER 88 7.143% * 0.9540% (0.37 0.02 0.02) = 0.954% QG1 VAL 40 - HA SER 88 7.143% * 0.9186% (0.35 0.02 0.02) = 0.919% QG1 VAL 47 - HA SER 88 7.143% * 0.7986% (0.31 0.02 0.02) = 0.799% QG2 VAL 122 - HA SER 88 7.143% * 0.6226% (0.24 0.02 0.02) = 0.623% QG2 ILE 100 - HA SER 88 7.143% * 0.3058% (0.12 0.02 0.02) = 0.306% Peak 827 (9.04, 0.95, 17.31 ppm): 4 chemical-shift based assignments, quality = 0.75, support = 3.32, residual support = 9.27: HN GLY 30 - QG2 ILE 29 25.000% * 47.7758% (0.83 3.70 10.98) = 47.776% kept HN GLY 30 - HG12 ILE 29 25.000% * 36.5956% (0.60 3.93 10.98) = 36.596% kept HN THR 79 - QG2 ILE 29 25.000% * 11.9436% (0.90 0.86 0.02) = 11.944% kept HN THR 79 - HG12 ILE 29 25.000% * 3.6851% (0.65 0.37 0.02) = 3.685% kept Peak 828 (7.85, 4.09, 58.60 ppm): 6 chemical-shift based assignments, quality = 0.119, support = 3.69, residual support = 17.5: O HN LYS+ 63 - HA LYS+ 63 16.667% * 99.6410% (0.12 10.0 3.70 17.59) = 99.641% kept HN THR 38 - HA LYS+ 63 16.667% * 0.0918% (0.11 1.0 0.02 0.02) = 0.092% HN LYS+ 63 - HA ARG+ 53 16.667% * 0.0753% (0.09 1.0 0.02 0.02) = 0.075% HD22 ASN 89 - HA LYS+ 63 16.667% * 0.0698% (0.08 1.0 0.02 0.02) = 0.070% HN THR 38 - HA ARG+ 53 16.667% * 0.0693% (0.08 1.0 0.02 0.02) = 0.069% HD22 ASN 89 - HA ARG+ 53 16.667% * 0.0528% (0.06 1.0 0.02 0.02) = 0.053% Peak 829 (6.89, 0.94, 17.30 ppm): 4 chemical-shift based assignments, quality = 0.695, support = 1.83, residual support = 13.9: QD PHE 21 - QG2 ILE 29 25.000% * 40.6918% (0.83 2.07 18.47) = 40.692% kept QD PHE 21 - HG12 ILE 29 25.000% * 33.0004% (0.63 2.20 18.47) = 33.000% kept HD21 ASN 119 - HG12 ILE 29 25.000% * 13.7683% (0.49 1.18 1.21) = 13.768% kept HD21 ASN 119 - QG2 ILE 29 25.000% * 12.5395% (0.64 0.82 1.21) = 12.539% kept Peak 849 (4.31, 0.94, 17.30 ppm): 14 chemical-shift based assignments, quality = 0.869, support = 5.09, residual support = 60.1: O T HA ILE 29 - QG2 ILE 29 7.143% * 56.8161% (0.98 10.0 10.00 5.17 60.56) = 56.816% kept O T HA ILE 29 - HG12 ILE 29 7.143% * 42.3543% (0.73 10.0 10.00 5.07 60.56) = 42.354% kept T HA VAL 94 - QG2 ILE 29 7.143% * 0.1276% (0.22 1.0 10.00 0.02 0.02) = 0.128% T HA THR 106 - QG2 ILE 29 7.143% * 0.1276% (0.22 1.0 10.00 0.02 0.02) = 0.128% T HB THR 61 - QG2 ILE 29 7.143% * 0.1004% (0.17 1.0 10.00 0.02 0.02) = 0.100% T HA VAL 94 - HG12 ILE 29 7.143% * 0.0951% (0.16 1.0 10.00 0.02 0.02) = 0.095% T HA THR 106 - HG12 ILE 29 7.143% * 0.0951% (0.16 1.0 10.00 0.02 0.02) = 0.095% T HB THR 61 - HG12 ILE 29 7.143% * 0.0748% (0.13 1.0 10.00 0.02 0.02) = 0.075% HA PRO 112 - QG2 ILE 29 7.143% * 0.0542% (0.94 1.0 1.00 0.02 0.02) = 0.054% HA PRO 104 - QG2 ILE 29 7.143% * 0.0459% (0.79 1.0 1.00 0.02 0.02) = 0.046% HA PRO 112 - HG12 ILE 29 7.143% * 0.0404% (0.70 1.0 1.00 0.02 0.02) = 0.040% HA PRO 104 - HG12 ILE 29 7.143% * 0.0342% (0.59 1.0 1.00 0.02 0.02) = 0.034% HA LEU 90 - QG2 ILE 29 7.143% * 0.0196% (0.34 1.0 1.00 0.02 0.02) = 0.020% HA LEU 90 - HG12 ILE 29 7.143% * 0.0146% (0.25 1.0 1.00 0.02 0.02) = 0.015% Peak 851 (4.10, 1.48, 17.39 ppm): 8 chemical-shift based assignments, quality = 0.742, support = 1.96, residual support = 11.0: O T HA ALA 70 - QB ALA 70 12.500% * 95.3009% (0.75 10.0 10.00 2.00 11.51) = 95.301% kept HA LYS+ 44 - QB ALA 70 12.500% * 4.1642% (0.56 1.0 1.00 1.19 0.80) = 4.164% kept T HA LYS+ 63 - QB ALA 70 12.500% * 0.2103% (0.17 1.0 10.00 0.02 0.02) = 0.210% HA VAL 105 - QB ALA 70 12.500% * 0.1053% (0.83 1.0 1.00 0.02 0.02) = 0.105% HA THR 46 - QB ALA 70 12.500% * 0.0888% (0.70 1.0 1.00 0.02 0.02) = 0.089% HB THR 106 - QB ALA 70 12.500% * 0.0645% (0.51 1.0 1.00 0.02 0.02) = 0.064% HA ARG+ 53 - QB ALA 70 12.500% * 0.0517% (0.41 1.0 1.00 0.02 0.02) = 0.052% HD2 PRO 59 - QB ALA 70 12.500% * 0.0144% (0.11 1.0 1.00 0.02 0.02) = 0.014% Peak 865 (2.39, 0.94, 17.31 ppm): 6 chemical-shift based assignments, quality = 0.794, support = 2.95, residual support = 16.0: HB3 ASP- 28 - QG2 ILE 29 16.667% * 33.8872% (0.98 3.30 23.43) = 33.887% kept HB3 ASP- 28 - HG12 ILE 29 16.667% * 32.1400% (0.71 4.31 23.43) = 32.140% kept HB2 LYS+ 78 - HG12 ILE 29 16.667% * 10.6817% (0.69 1.47 0.20) = 10.682% kept HA1 GLY 58 - QG2 ILE 29 16.667% * 8.6765% (0.68 1.22 2.94) = 8.676% kept HA1 GLY 58 - HG12 ILE 29 16.667% * 8.4828% (0.49 1.64 2.94) = 8.483% kept HB2 LYS+ 78 - QG2 ILE 29 16.667% * 6.1318% (0.95 0.61 0.20) = 6.132% kept 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): 28 chemical-shift based assignments, quality = 0.802, support = 4.95, residual support = 58.8: O T HB ILE 29 - QG2 ILE 29 3.571% * 57.1433% (0.92 10.0 10.00 4.84 60.56) = 57.143% kept O T HB ILE 29 - HG12 ILE 29 3.571% * 39.3723% (0.64 10.0 10.00 5.50 60.56) = 39.372% kept HB2 LEU 23 - QG2 ILE 29 3.571% * 1.6425% (1.00 1.0 1.00 0.53 11.48) = 1.642% kept HB2 LEU 23 - HG12 ILE 29 3.571% * 1.1061% (0.69 1.0 1.00 0.52 11.48) = 1.106% kept HB3 PRO 35 - QG2 ILE 29 3.571% * 0.0614% (0.99 1.0 1.00 0.02 0.02) = 0.061% HB3 GLU- 56 - QG2 ILE 29 3.571% * 0.0614% (0.99 1.0 1.00 0.02 0.25) = 0.061% HD3 LYS+ 63 - QG2 ILE 29 3.571% * 0.0537% (0.87 1.0 1.00 0.02 0.02) = 0.054% HB3 GLN 102 - QG2 ILE 29 3.571% * 0.0425% (0.69 1.0 1.00 0.02 0.02) = 0.043% HB2 PRO 116 - QG2 ILE 29 3.571% * 0.0425% (0.69 1.0 1.00 0.02 0.02) = 0.043% HB3 GLU- 56 - HG12 ILE 29 3.571% * 0.0423% (0.68 1.0 1.00 0.02 0.25) = 0.042% HB3 PRO 35 - HG12 ILE 29 3.571% * 0.0423% (0.68 1.0 1.00 0.02 0.02) = 0.042% HB3 GLU- 54 - QG2 ILE 29 3.571% * 0.0400% (0.65 1.0 1.00 0.02 0.02) = 0.040% HG2 PRO 112 - QG2 ILE 29 3.571% * 0.0375% (0.61 1.0 1.00 0.02 0.02) = 0.038% HD3 LYS+ 63 - HG12 ILE 29 3.571% * 0.0370% (0.60 1.0 1.00 0.02 0.02) = 0.037% HB3 MET 118 - QG2 ILE 29 3.571% * 0.0301% (0.49 1.0 1.00 0.02 0.02) = 0.030% HB3 GLN 102 - HG12 ILE 29 3.571% * 0.0293% (0.47 1.0 1.00 0.02 0.02) = 0.029% HB2 PRO 116 - HG12 ILE 29 3.571% * 0.0293% (0.47 1.0 1.00 0.02 0.02) = 0.029% HB3 GLU- 54 - HG12 ILE 29 3.571% * 0.0276% (0.45 1.0 1.00 0.02 0.02) = 0.028% HG2 PRO 112 - HG12 ILE 29 3.571% * 0.0259% (0.42 1.0 1.00 0.02 0.02) = 0.026% HB2 GLU- 75 - QG2 ILE 29 3.571% * 0.0232% (0.38 1.0 1.00 0.02 0.02) = 0.023% HB3 MET 118 - HG12 ILE 29 3.571% * 0.0208% (0.34 1.0 1.00 0.02 0.02) = 0.021% HB3 CYS 123 - QG2 ILE 29 3.571% * 0.0172% (0.28 1.0 1.00 0.02 0.02) = 0.017% HB2 GLU- 75 - HG12 ILE 29 3.571% * 0.0160% (0.26 1.0 1.00 0.02 0.02) = 0.016% HB3 LYS+ 55 - QG2 ILE 29 3.571% * 0.0138% (0.22 1.0 1.00 0.02 0.02) = 0.014% HG3 PRO 31 - QG2 ILE 29 3.571% * 0.0123% (0.20 1.0 1.00 0.02 0.49) = 0.012% HB3 CYS 123 - HG12 ILE 29 3.571% * 0.0119% (0.19 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 55 - HG12 ILE 29 3.571% * 0.0095% (0.15 1.0 1.00 0.02 0.02) = 0.009% HG3 PRO 31 - HG12 ILE 29 3.571% * 0.0084% (0.14 1.0 1.00 0.02 0.49) = 0.008% Peak 901 (1.79, 4.09, 58.63 ppm): 26 chemical-shift based assignments, quality = 0.269, support = 1.69, residual support = 12.4: O T HB3 LYS+ 63 - HA LYS+ 63 3.846% * 60.7798% (0.32 10.0 10.00 2.00 17.59) = 60.780% kept O HB3 ARG+ 53 - HA ARG+ 53 3.846% * 16.8757% (0.09 10.0 1.00 2.42 10.04) = 16.876% kept T HB2 LYS+ 117 - HA LYS+ 63 3.846% * 10.0169% (0.32 1.0 10.00 0.33 0.02) = 10.017% kept T HB3 LYS+ 117 - HA LYS+ 63 3.846% * 9.8119% (0.31 1.0 10.00 0.33 0.02) = 9.812% kept T HB3 PRO 116 - HA LYS+ 63 3.846% * 0.5379% (0.28 1.0 10.00 0.02 0.02) = 0.538% T HB2 LYS+ 117 - HA ARG+ 53 3.846% * 0.3731% (0.19 1.0 10.00 0.02 0.02) = 0.373% T HB3 LYS+ 63 - HA ARG+ 53 3.846% * 0.3690% (0.19 1.0 10.00 0.02 0.02) = 0.369% T HB3 LYS+ 117 - HA ARG+ 53 3.846% * 0.3633% (0.19 1.0 10.00 0.02 0.02) = 0.363% T HB3 PRO 116 - HA ARG+ 53 3.846% * 0.3265% (0.17 1.0 10.00 0.02 0.02) = 0.327% HB3 LYS+ 113 - HA LYS+ 63 3.846% * 0.0615% (0.32 1.0 1.00 0.02 0.02) = 0.061% HB3 LYS+ 108 - HA LYS+ 63 3.846% * 0.0608% (0.32 1.0 1.00 0.02 0.02) = 0.061% HB3 LYS+ 44 - HA LYS+ 63 3.846% * 0.0556% (0.29 1.0 1.00 0.02 0.02) = 0.056% HG2 PRO 31 - HA LYS+ 63 3.846% * 0.0556% (0.29 1.0 1.00 0.02 0.02) = 0.056% HB3 LYS+ 113 - HA ARG+ 53 3.846% * 0.0373% (0.19 1.0 1.00 0.02 0.02) = 0.037% HB3 LYS+ 108 - HA ARG+ 53 3.846% * 0.0369% (0.19 1.0 1.00 0.02 0.02) = 0.037% HB3 LYS+ 44 - HA ARG+ 53 3.846% * 0.0338% (0.18 1.0 1.00 0.02 0.02) = 0.034% HG2 PRO 31 - HA ARG+ 53 3.846% * 0.0338% (0.18 1.0 1.00 0.02 0.02) = 0.034% HB2 GLU- 109 - HA LYS+ 63 3.846% * 0.0278% (0.14 1.0 1.00 0.02 0.02) = 0.028% HB3 GLU- 18 - HA LYS+ 63 3.846% * 0.0278% (0.14 1.0 1.00 0.02 0.02) = 0.028% HB3 ARG+ 53 - HA LYS+ 63 3.846% * 0.0278% (0.14 1.0 1.00 0.02 0.02) = 0.028% HD3 LYS+ 72 - HA LYS+ 63 3.846% * 0.0212% (0.11 1.0 1.00 0.02 0.18) = 0.021% HB2 GLU- 109 - HA ARG+ 53 3.846% * 0.0169% (0.09 1.0 1.00 0.02 0.02) = 0.017% HB3 GLU- 18 - HA ARG+ 53 3.846% * 0.0169% (0.09 1.0 1.00 0.02 0.02) = 0.017% HD3 LYS+ 72 - HA ARG+ 53 3.846% * 0.0128% (0.07 1.0 1.00 0.02 0.02) = 0.013% HD3 LYS+ 117 - HA LYS+ 63 3.846% * 0.0123% (0.06 1.0 1.00 0.02 0.02) = 0.012% HD3 LYS+ 117 - HA ARG+ 53 3.846% * 0.0074% (0.04 1.0 1.00 0.02 0.02) = 0.007% Peak 905 (1.74, 0.95, 17.40 ppm): 8 chemical-shift based assignments, quality = 0.568, support = 2.03, residual support = 3.79: HB ILE 48 - QG2 ILE 29 12.500% * 36.7722% (0.60 2.28 4.65) = 36.772% kept HB ILE 48 - HG12 ILE 29 12.500% * 25.1752% (0.29 3.17 4.65) = 25.175% kept HB3 GLU- 50 - QG2 ILE 29 12.500% * 22.3087% (0.92 0.90 2.42) = 22.309% kept HB3 GLU- 50 - HG12 ILE 29 12.500% * 15.2575% (0.45 1.26 2.42) = 15.257% kept HB VAL 94 - QG2 ILE 29 12.500% * 0.1873% (0.35 0.02 0.02) = 0.187% HB2 ARG+ 84 - QG2 ILE 29 12.500% * 0.1388% (0.26 0.02 0.02) = 0.139% HB VAL 94 - HG12 ILE 29 12.500% * 0.0921% (0.17 0.02 0.02) = 0.092% HB2 ARG+ 84 - HG12 ILE 29 12.500% * 0.0682% (0.13 0.02 0.02) = 0.068% Peak 910 (1.58, 0.95, 17.36 ppm): 22 chemical-shift based assignments, quality = 0.511, support = 2.42, residual support = 18.5: T HG LEU 17 - QG2 ILE 29 4.545% * 48.3098% (0.74 1.0 10.00 1.70 6.02) = 48.310% kept T HG LEU 17 - HG12 ILE 29 4.545% * 27.4485% (0.42 1.0 10.00 1.72 6.02) = 27.449% kept O HG13 ILE 29 - QG2 ILE 29 4.545% * 14.7190% (0.19 10.0 1.00 4.67 60.56) = 14.719% kept O HG13 ILE 29 - HG12 ILE 29 4.545% * 8.2866% (0.11 10.0 1.00 5.33 60.56) = 8.287% kept T HD3 LYS+ 60 - QG2 ILE 29 4.545% * 0.5109% (0.67 1.0 10.00 0.02 0.02) = 0.511% T HD3 LYS+ 60 - HG12 ILE 29 4.545% * 0.2876% (0.38 1.0 10.00 0.02 0.02) = 0.288% HB3 LYS+ 32 - QG2 ILE 29 4.545% * 0.0645% (0.84 1.0 1.00 0.02 0.02) = 0.065% HG3 LYS+ 60 - QG2 ILE 29 4.545% * 0.0621% (0.81 1.0 1.00 0.02 0.02) = 0.062% HB ILE 19 - QG2 ILE 29 4.545% * 0.0596% (0.78 1.0 1.00 0.02 0.02) = 0.060% HB3 LYS+ 32 - HG12 ILE 29 4.545% * 0.0363% (0.47 1.0 1.00 0.02 0.02) = 0.036% HG3 LYS+ 60 - HG12 ILE 29 4.545% * 0.0350% (0.46 1.0 1.00 0.02 0.02) = 0.035% HB ILE 19 - HG12 ILE 29 4.545% * 0.0335% (0.44 1.0 1.00 0.02 0.02) = 0.034% HD3 LYS+ 32 - QG2 ILE 29 4.545% * 0.0279% (0.36 1.0 1.00 0.02 0.02) = 0.028% HB3 LEU 17 - QG2 ILE 29 4.545% * 0.0207% (0.27 1.0 1.00 0.02 6.02) = 0.021% HB3 LEU 90 - QG2 ILE 29 4.545% * 0.0207% (0.27 1.0 1.00 0.02 0.02) = 0.021% HD3 LYS+ 32 - HG12 ILE 29 4.545% * 0.0157% (0.21 1.0 1.00 0.02 0.02) = 0.016% HG3 LYS+ 110 - QG2 ILE 29 4.545% * 0.0130% (0.17 1.0 1.00 0.02 0.02) = 0.013% HB3 LEU 90 - HG12 ILE 29 4.545% * 0.0116% (0.15 1.0 1.00 0.02 0.02) = 0.012% HB3 LEU 17 - HG12 ILE 29 4.545% * 0.0116% (0.15 1.0 1.00 0.02 6.02) = 0.012% HG2 LYS+ 110 - QG2 ILE 29 4.545% * 0.0115% (0.15 1.0 1.00 0.02 0.02) = 0.011% HG3 LYS+ 110 - HG12 ILE 29 4.545% * 0.0073% (0.10 1.0 1.00 0.02 0.02) = 0.007% HG2 LYS+ 110 - HG12 ILE 29 4.545% * 0.0065% (0.08 1.0 1.00 0.02 0.02) = 0.006% Peak 911 (1.50, 4.07, 58.65 ppm): 6 chemical-shift based assignments, quality = 0.255, support = 0.581, residual support = 0.633: HG3 LYS+ 72 - HA LYS+ 63 16.667% * 53.2368% (0.35 1.00 0.47 0.18) = 53.237% kept HG LEU 74 - HA LYS+ 63 16.667% * 29.0442% (0.08 1.00 1.12 1.82) = 29.044% kept T QB ALA 70 - HA LYS+ 63 16.667% * 11.2638% (0.18 10.00 0.02 0.02) = 11.264% kept HD3 LYS+ 108 - HA LYS+ 63 16.667% * 2.5068% (0.39 1.00 0.02 0.02) = 2.507% kept HB2 LYS+ 72 - HA LYS+ 63 16.667% * 2.4246% (0.38 1.00 0.02 0.18) = 2.425% kept HG LEU 43 - HA LYS+ 63 16.667% * 1.5238% (0.24 1.00 0.02 0.02) = 1.524% kept Peak 913 (1.48, 1.48, 17.38 ppm): 1 diagonal assignment: QB ALA 70 - QB ALA 70 (0.80) 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): 2 diagonal assignments: QG2 ILE 29 - QG2 ILE 29 (0.98) kept HG12 ILE 29 - HG12 ILE 29 (0.67) kept Peak 926 (9.08, 4.13, 58.46 ppm): 2 chemical-shift based assignments, quality = 0.19, support = 3.36, residual support = 18.3: O HN GLU- 54 - HA ARG+ 53 50.000% * 99.8851% (0.19 10.0 3.36 18.29) = 99.885% kept HN LYS+ 66 - HA ARG+ 53 50.000% * 0.1149% (0.22 1.0 0.02 0.02) = 0.115% Peak 927 (8.97, 0.02, 16.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 928 (8.61, 0.02, 16.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 929 (8.44, 4.13, 58.51 ppm): 7 chemical-shift based assignments, quality = 0.296, support = 2.56, residual support = 9.83: O HN ARG+ 53 - HA ARG+ 53 14.286% * 97.8601% (0.30 10.0 2.61 10.04) = 97.860% kept HN GLU- 75 - HA ARG+ 53 14.286% * 1.7913% (0.28 1.0 0.39 0.02) = 1.791% kept HN LEU 74 - HA ARG+ 53 14.286% * 0.1148% (0.35 1.0 0.02 0.02) = 0.115% HN CYS 123 - HA ARG+ 53 14.286% * 0.0930% (0.28 1.0 0.02 0.02) = 0.093% HN LYS+ 113 - HA ARG+ 53 14.286% * 0.0674% (0.20 1.0 0.02 0.02) = 0.067% HN GLU- 107 - HA ARG+ 53 14.286% * 0.0481% (0.15 1.0 0.02 0.02) = 0.048% HN GLY 92 - HA ARG+ 53 14.286% * 0.0253% (0.08 1.0 0.02 0.02) = 0.025% Peak 930 (7.34, 0.02, 16.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 931 (4.87, 0.02, 16.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 932 (4.29, 4.13, 58.46 ppm): 12 chemical-shift based assignments, quality = 0.183, support = 1.15, residual support = 3.68: HA PRO 52 - HA ARG+ 53 8.333% * 87.7020% (0.19 1.31 4.20) = 87.702% kept HA THR 106 - HA ARG+ 53 8.333% * 1.8446% (0.25 0.02 0.02) = 1.845% kept HA LEU 90 - HA ARG+ 53 8.333% * 1.7488% (0.24 0.02 0.02) = 1.749% kept HA ALA 91 - HA ARG+ 53 8.333% * 1.4129% (0.20 0.02 0.02) = 1.413% kept HA SER 85 - HA ARG+ 53 8.333% * 1.3425% (0.19 0.02 0.02) = 1.342% kept HD3 PRO 59 - HA ARG+ 53 8.333% * 1.3425% (0.19 0.02 0.02) = 1.342% kept HA VAL 65 - HA ARG+ 53 8.333% * 1.1960% (0.17 0.02 0.02) = 1.196% kept HA ARG+ 84 - HA ARG+ 53 8.333% * 1.1213% (0.15 0.02 0.02) = 1.121% kept HA PRO 104 - HA ARG+ 53 8.333% * 0.9727% (0.13 0.02 0.02) = 0.973% HA GLU- 75 - HA ARG+ 53 8.333% * 0.5706% (0.08 0.02 0.02) = 0.571% HA ILE 29 - HA ARG+ 53 8.333% * 0.4610% (0.06 0.02 0.02) = 0.461% HA GLU- 56 - HA ARG+ 53 8.333% * 0.2853% (0.04 0.02 0.02) = 0.285% Not enough quality. Peak unassigned. Peak 933 (4.12, 4.12, 58.42 ppm): 1 diagonal assignment: HA ARG+ 53 - HA ARG+ 53 (0.21) kept Peak 934 (3.74, 3.73, 58.36 ppm): 1 diagonal assignment: HA LEU 43 - HA LEU 43 (0.91) kept Peak 935 (2.25, 0.02, 16.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 938 (1.90, 4.13, 58.43 ppm): 11 chemical-shift based assignments, quality = 0.16, support = 1.37, residual support = 13.9: HB3 GLU- 54 - HA ARG+ 53 9.091% * 75.8202% (0.17 1.71 18.29) = 75.820% kept HD3 LYS+ 63 - HA ARG+ 53 9.091% * 14.9881% (0.12 0.49 0.02) = 14.988% kept HB3 GLN 102 - HA ARG+ 53 9.091% * 3.8046% (0.16 0.09 0.52) = 3.805% kept HB3 CYS 123 - HA ARG+ 53 9.091% * 1.1589% (0.22 0.02 0.02) = 1.159% kept HG2 GLU- 18 - HA ARG+ 53 9.091% * 1.0987% (0.21 0.02 0.02) = 1.099% kept HB3 MET 118 - HA ARG+ 53 9.091% * 1.0417% (0.20 0.02 0.02) = 1.042% kept HG3 LYS+ 120 - HA ARG+ 53 9.091% * 0.6111% (0.12 0.02 0.02) = 0.611% HB3 ARG+ 84 - HA ARG+ 53 9.091% * 0.5654% (0.11 0.02 0.02) = 0.565% HB3 GLU- 56 - HA ARG+ 53 9.091% * 0.3585% (0.07 0.02 0.02) = 0.358% HB2 LEU 23 - HA ARG+ 53 9.091% * 0.3229% (0.06 0.02 0.02) = 0.323% HB3 PRO 35 - HA ARG+ 53 9.091% * 0.2299% (0.04 0.02 0.02) = 0.230% Peak 940 (1.65, 0.02, 16.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 941 (1.16, 3.74, 58.38 ppm): 6 chemical-shift based assignments, quality = 0.623, support = 3.17, residual support = 10.3: T HB ILE 68 - HA LEU 43 16.667% * 42.7399% (0.24 10.00 2.51 15.89) = 42.740% kept HG LEU 74 - HA LEU 43 16.667% * 38.6236% (0.96 1.00 4.57 6.55) = 38.624% kept HB2 LEU 74 - HA LEU 43 16.667% * 14.8133% (0.78 1.00 2.16 6.55) = 14.813% kept HG3 PRO 59 - HA LEU 43 16.667% * 3.5385% (0.96 1.00 0.42 0.02) = 3.539% kept QG2 THR 106 - HA LEU 43 16.667% * 0.1537% (0.87 1.00 0.02 0.02) = 0.154% HB3 LYS+ 66 - HA LEU 43 16.667% * 0.1310% (0.74 1.00 0.02 0.02) = 0.131% Peak 942 (1.09, 0.02, 16.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 945 (0.69, 0.02, 16.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 948 (-0.11, 3.73, 58.40 ppm): 1 chemical-shift based assignment, quality = 0.944, support = 3.45, residual support = 46.4: T QD1 LEU 43 - HA LEU 43 100.000% *100.0000% (0.94 10.00 3.45 46.35) = 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): 8 chemical-shift based assignments, quality = 0.43, support = 4.17, residual support = 22.4: HN SER 49 - QG2 ILE 48 12.500% * 50.3763% (0.36 6.46 39.31) = 50.376% kept HN LEU 67 - QG2 ILE 48 12.500% * 23.3067% (0.53 2.02 9.52) = 23.307% kept HN GLY 58 - QG2 ILE 48 12.500% * 20.7118% (0.46 2.07 1.60) = 20.712% kept HN LYS+ 81 - QG2 ILE 48 12.500% * 5.0317% (0.53 0.44 0.02) = 5.032% kept HN THR 106 - QG2 ILE 48 12.500% * 0.2545% (0.59 0.02 0.02) = 0.254% HN ASP- 115 - QG2 ILE 48 12.500% * 0.2391% (0.55 0.02 0.02) = 0.239% HN ASN 89 - QG2 ILE 48 12.500% * 0.0425% (0.10 0.02 0.02) = 0.043% HN VAL 94 - QG2 ILE 48 12.500% * 0.0373% (0.09 0.02 0.02) = 0.037% Peak 951 (7.31, 0.71, 16.70 ppm): 7 chemical-shift based assignments, quality = 0.525, support = 4.32, residual support = 59.2: HN ILE 48 - QG2 ILE 48 14.286% * 46.2857% (0.49 5.78 113.80) = 46.286% kept HN VAL 47 - QG2 ILE 48 14.286% * 37.9447% (0.57 4.06 16.99) = 37.945% kept HN ARG+ 84 - QG2 ILE 48 14.286% * 7.1389% (0.60 0.73 0.64) = 7.139% kept QD PHE 34 - QG2 ILE 48 14.286% * 6.3562% (0.52 0.75 0.68) = 6.356% kept HZ PHE 34 - QG2 ILE 48 14.286% * 1.3789% (0.20 0.43 0.68) = 1.379% kept QE PHE 34 - QG2 ILE 48 14.286% * 0.8307% (0.20 0.26 0.68) = 0.831% HZ2 TRP 51 - QG2 ILE 48 14.286% * 0.0649% (0.20 0.02 2.35) = 0.065% Peak 952 (4.37, 0.72, 16.75 ppm): 12 chemical-shift based assignments, quality = 0.472, support = 0.974, residual support = 4.01: HA2 GLY 26 - QG2 ILE 48 8.333% * 59.1559% (0.56 1.35 5.05) = 59.156% kept HA1 GLY 26 - QG2 ILE 48 8.333% * 17.1672% (0.40 0.55 5.05) = 17.167% kept HA ASN 57 - QG2 ILE 48 8.333% * 15.3094% (0.46 0.42 0.02) = 15.309% kept HB THR 61 - QG2 ILE 48 8.333% * 3.6621% (0.11 0.41 4.18) = 3.662% kept HA THR 38 - QG2 ILE 48 8.333% * 0.8749% (0.56 0.02 0.02) = 0.875% HA LYS+ 117 - QG2 ILE 48 8.333% * 0.8130% (0.52 0.02 0.02) = 0.813% HA LYS+ 60 - QG2 ILE 48 8.333% * 0.8130% (0.52 0.02 0.02) = 0.813% HA ALA 37 - QG2 ILE 48 8.333% * 0.7572% (0.48 0.02 0.02) = 0.757% HA THR 95 - QG2 ILE 48 8.333% * 0.5680% (0.09 0.08 0.02) = 0.568% HA TRP 51 - QG2 ILE 48 8.333% * 0.5133% (0.33 0.02 2.35) = 0.513% HA SER 88 - QG2 ILE 48 8.333% * 0.2261% (0.14 0.02 0.02) = 0.226% HA VAL 94 - QG2 ILE 48 8.333% * 0.1399% (0.09 0.02 0.02) = 0.140% Peak 953 (3.44, 0.72, 16.73 ppm): 6 chemical-shift based assignments, quality = 0.466, support = 2.49, residual support = 36.3: T HA VAL 62 - QG2 ILE 48 16.667% * 74.8330% (0.58 1.0 10.00 1.19 10.85) = 74.833% kept O T HA ILE 48 - QG2 ILE 48 16.667% * 24.7277% (0.12 10.0 10.00 6.48 113.80) = 24.728% kept HB THR 79 - QG2 ILE 48 16.667% * 0.1334% (0.62 1.0 1.00 0.02 0.02) = 0.133% HB2 SER 69 - QG2 ILE 48 16.667% * 0.1313% (0.61 1.0 1.00 0.02 1.99) = 0.131% HA THR 39 - QG2 ILE 48 16.667% * 0.1136% (0.53 1.0 1.00 0.02 0.02) = 0.114% HA VAL 80 - QG2 ILE 48 16.667% * 0.0610% (0.28 1.0 1.00 0.02 0.02) = 0.061% Peak 954 (1.74, 0.72, 16.71 ppm): 4 chemical-shift based assignments, quality = 0.372, support = 6.01, residual support = 105.4: O T HB ILE 48 - QG2 ILE 48 25.000% * 92.5234% (0.36 10.0 10.00 6.44 113.80) = 92.523% kept HB3 GLU- 50 - QG2 ILE 48 25.000% * 6.5629% (0.64 1.0 1.00 0.79 1.18) = 6.563% kept HB2 ARG+ 84 - QG2 ILE 48 25.000% * 0.8281% (0.25 1.0 1.00 0.25 0.64) = 0.828% HB VAL 94 - QG2 ILE 48 25.000% * 0.0856% (0.33 1.0 1.00 0.02 0.02) = 0.086% Peak 955 (1.47, 0.72, 16.70 ppm): 3 chemical-shift based assignments, quality = 0.347, support = 2.22, residual support = 6.7: T HG LEU 74 - QG2 ILE 48 33.333% * 64.6052% (0.18 10.00 1.89 5.19) = 64.605% kept HB3 LEU 67 - QG2 ILE 48 33.333% * 35.1852% (0.65 1.00 2.84 9.52) = 35.185% kept QB ALA 70 - QG2 ILE 48 33.333% * 0.2096% (0.55 1.00 0.02 0.02) = 0.210% Peak 960 (0.72, 0.72, 16.73 ppm): 1 diagonal assignment: QG2 ILE 48 - QG2 ILE 48 (0.53) kept Peak 963 (0.40, 0.72, 16.73 ppm): 2 chemical-shift based assignments, quality = 0.552, support = 5.52, residual support = 113.8: T QD1 ILE 48 - QG2 ILE 48 50.000% * 50.0000% (0.55 1.0 10.00 6.17 113.80) = 50.000% kept O T HG12 ILE 48 - QG2 ILE 48 50.000% * 50.0000% (0.55 10.0 10.00 4.87 113.80) = 50.000% kept Peak 966 (9.09, 4.24, 57.49 ppm): 6 chemical-shift based assignments, quality = 0.18, support = 3.47, residual support = 10.2: O HN GLU- 54 - HA GLU- 54 16.667% * 99.6799% (0.18 10.0 3.48 10.20) = 99.680% kept HN LYS+ 66 - HA GLU- 54 16.667% * 0.1193% (0.22 1.0 0.02 0.02) = 0.119% HN LYS+ 66 - HA ASP- 82 16.667% * 0.0686% (0.12 1.0 0.02 0.02) = 0.069% HN GLU- 54 - HA ASP- 82 16.667% * 0.0573% (0.10 1.0 0.02 0.02) = 0.057% HN LYS+ 66 - HA GLU- 56 16.667% * 0.0408% (0.07 1.0 0.02 0.02) = 0.041% HN GLU- 54 - HA GLU- 56 16.667% * 0.0341% (0.06 1.0 0.02 0.29) = 0.034% Peak 967 (7.82, 4.24, 57.54 ppm): 6 chemical-shift based assignments, quality = 0.287, support = 2.78, residual support = 12.9: O HN LYS+ 55 - HA GLU- 54 16.667% * 98.6031% (0.29 10.0 2.81 13.04) = 98.603% kept HN ALA 93 - HA GLU- 54 16.667% * 1.2044% (0.15 1.0 0.47 0.02) = 1.204% kept HN LYS+ 63 - HA GLU- 54 16.667% * 0.1253% (0.37 1.0 0.02 0.19) = 0.125% HN LYS+ 63 - HA ASP- 82 16.667% * 0.0306% (0.09 1.0 0.02 0.02) = 0.031% HN LYS+ 55 - HA ASP- 82 16.667% * 0.0241% (0.07 1.0 0.02 0.02) = 0.024% HN ALA 93 - HA ASP- 82 16.667% * 0.0124% (0.04 1.0 0.02 0.02) = 0.012% Peak 972 (2.51, 4.29, 57.24 ppm): 20 chemical-shift based assignments, quality = 0.162, support = 1.31, residual support = 1.78: HA1 GLY 58 - HA GLU- 56 5.000% * 60.2490% (0.16 1.91 2.95) = 60.249% kept HA1 GLY 58 - HA ARG+ 84 5.000% * 19.3397% (0.15 0.65 0.02) = 19.340% kept HA1 GLY 58 - HA SER 85 5.000% * 11.1684% (0.27 0.21 0.02) = 11.168% kept HA1 GLY 58 - HA GLU- 75 5.000% * 3.8823% (0.12 0.16 0.02) = 3.882% kept HB2 ASP- 36 - HA SER 85 5.000% * 0.9254% (0.24 0.02 0.02) = 0.925% HB2 ASP- 36 - HA GLU- 56 5.000% * 0.5546% (0.14 0.02 0.02) = 0.555% HB2 ASP- 36 - HA ARG+ 84 5.000% * 0.5262% (0.14 0.02 0.02) = 0.526% HB3 LYS+ 81 - HA SER 85 5.000% * 0.4751% (0.12 0.02 0.02) = 0.475% HB2 ASP- 36 - HA GLU- 75 5.000% * 0.4191% (0.11 0.02 0.02) = 0.419% HB2 ASP- 115 - HA SER 85 5.000% * 0.3567% (0.09 0.02 0.02) = 0.357% HG3 PRO 35 - HA SER 85 5.000% * 0.2882% (0.07 0.02 0.02) = 0.288% HB3 LYS+ 81 - HA GLU- 56 5.000% * 0.2847% (0.07 0.02 0.02) = 0.285% HB3 LYS+ 81 - HA ARG+ 84 5.000% * 0.2702% (0.07 0.02 0.85) = 0.270% HB3 LYS+ 81 - HA GLU- 75 5.000% * 0.2152% (0.06 0.02 0.02) = 0.215% HB2 ASP- 115 - HA GLU- 56 5.000% * 0.2138% (0.06 0.02 0.02) = 0.214% HB2 ASP- 115 - HA ARG+ 84 5.000% * 0.2028% (0.05 0.02 0.02) = 0.203% HG3 PRO 35 - HA GLU- 56 5.000% * 0.1727% (0.04 0.02 0.02) = 0.173% HG3 PRO 35 - HA ARG+ 84 5.000% * 0.1639% (0.04 0.02 0.02) = 0.164% HB2 ASP- 115 - HA GLU- 75 5.000% * 0.1616% (0.04 0.02 0.02) = 0.162% HG3 PRO 35 - HA GLU- 75 5.000% * 0.1305% (0.03 0.02 0.02) = 0.131% Not enough quality. Peak unassigned. Peak 975 (8.82, 4.27, 57.06 ppm): 15 chemical-shift based assignments, quality = 0.737, support = 1.42, residual support = 3.49: O HN ASN 57 - HA GLU- 56 6.667% * 88.4603% (0.75 10.0 1.53 3.93) = 88.460% kept HN ASN 57 - HA GLU- 75 6.667% * 5.6242% (0.77 1.0 0.94 0.25) = 5.624% kept HN LYS+ 32 - HA GLU- 75 6.667% * 1.6848% (0.83 1.0 0.26 0.02) = 1.685% kept HN LYS+ 32 - HA LYS+ 108 6.667% * 1.6587% (0.55 1.0 0.39 0.02) = 1.659% kept HN LYS+ 60 - HA GLU- 75 6.667% * 1.4142% (0.85 1.0 0.21 0.02) = 1.414% kept HN LYS+ 60 - HA SER 85 6.667% * 0.1363% (0.88 1.0 0.02 0.02) = 0.136% HN LYS+ 32 - HA SER 85 6.667% * 0.1327% (0.86 1.0 0.02 0.02) = 0.133% HN LYS+ 60 - HA GLU- 56 6.667% * 0.1279% (0.82 1.0 0.02 0.02) = 0.128% HN LYS+ 32 - HA GLU- 56 6.667% * 0.1245% (0.80 1.0 0.02 0.02) = 0.125% HN ASN 57 - HA SER 85 6.667% * 0.1233% (0.79 1.0 0.02 0.02) = 0.123% HN LYS+ 60 - HA ARG+ 84 6.667% * 0.1203% (0.78 1.0 0.02 0.02) = 0.120% HN LYS+ 32 - HA ARG+ 84 6.667% * 0.1172% (0.75 1.0 0.02 0.02) = 0.117% HN ASN 57 - HA ARG+ 84 6.667% * 0.1089% (0.70 1.0 0.02 0.02) = 0.109% HN LYS+ 60 - HA LYS+ 108 6.667% * 0.0875% (0.56 1.0 0.02 0.02) = 0.087% HN ASN 57 - HA LYS+ 108 6.667% * 0.0791% (0.51 1.0 0.02 0.02) = 0.079% Peak 977 (7.51, 0.83, 15.64 ppm): 2 chemical-shift based assignments, quality = 0.569, support = 1.68, residual support = 3.45: HE3 TRP 51 - QD1 ILE 29 50.000% * 77.7426% (0.60 1.94 4.43) = 77.743% kept HN ASP- 82 - QD1 ILE 29 50.000% * 22.2574% (0.45 0.74 0.02) = 22.257% kept Peak 980 (4.35, 0.83, 15.60 ppm): 9 chemical-shift based assignments, quality = 0.724, support = 0.757, residual support = 0.348: HA1 GLY 26 - QD1 ILE 29 11.111% * 57.4857% (0.87 0.84 0.37) = 57.486% kept HA2 GLY 26 - QD1 ILE 29 11.111% * 34.3129% (0.57 0.76 0.37) = 34.313% kept HA ASN 57 - QD1 ILE 29 11.111% * 3.6078% (0.14 0.32 0.02) = 3.608% kept HB THR 61 - QD1 ILE 29 11.111% * 1.2851% (0.81 0.02 0.02) = 1.285% kept HA VAL 94 - QD1 ILE 29 11.111% * 1.1863% (0.75 0.02 0.02) = 1.186% kept HA LYS+ 117 - QD1 ILE 29 11.111% * 1.0758% (0.68 0.02 0.23) = 1.076% kept HA THR 38 - QD1 ILE 29 11.111% * 0.4573% (0.29 0.02 0.02) = 0.457% HA LYS+ 60 - QD1 ILE 29 11.111% * 0.3298% (0.21 0.02 0.02) = 0.330% HA ALA 37 - QD1 ILE 29 11.111% * 0.2595% (0.16 0.02 0.02) = 0.259% Peak 984 (3.84, 3.84, 56.96 ppm): 1 diagonal assignment: HA LYS+ 44 - HA LYS+ 44 (0.11) kept Peak 988 (3.28, 0.83, 15.62 ppm): 3 chemical-shift based assignments, quality = 0.909, support = 1.08, residual support = 11.1: HA LEU 23 - QD1 ILE 29 33.333% * 96.4511% (0.91 1.12 11.48) = 96.451% kept HD3 ARG+ 53 - QD1 ILE 29 33.333% * 1.7804% (0.94 0.02 0.02) = 1.780% kept HE3 LYS+ 63 - QD1 ILE 29 33.333% * 1.7685% (0.93 0.02 0.02) = 1.769% kept Peak 989 (3.08, 0.83, 15.62 ppm): 3 chemical-shift based assignments, quality = 0.429, support = 0.676, residual support = 1.76: HA1 GLY 58 - QD1 ILE 29 33.333% * 59.5268% (0.32 1.00 2.94) = 59.527% kept HB3 ASP- 25 - QD1 ILE 29 33.333% * 26.8446% (0.63 0.23 0.02) = 26.845% kept HA VAL 47 - QD1 ILE 29 33.333% * 13.6286% (0.49 0.15 0.02) = 13.629% kept Peak 990 (2.64, 4.21, 57.06 ppm): 25 chemical-shift based assignments, quality = 0.319, support = 1.97, residual support = 25.3: O HB3 ASP- 82 - HA ASP- 82 4.000% * 85.8674% (0.29 10.0 2.19 29.35) = 85.867% kept HA1 GLY 58 - HA GLU- 64 4.000% * 6.1077% (0.77 1.0 0.54 0.18) = 6.108% kept HA1 GLY 58 - HA ASP- 82 4.000% * 2.7877% (0.33 1.0 0.58 0.02) = 2.788% kept HA1 GLY 58 - HA MET 126 4.000% * 2.3710% (0.42 1.0 0.38 0.02) = 2.371% kept HA1 GLY 58 - HA LYS+ 44 4.000% * 1.5001% (0.04 1.0 2.51 3.73) = 1.500% kept HA1 GLY 58 - HA GLU- 109 4.000% * 0.2872% (0.98 1.0 0.02 0.02) = 0.287% HB3 ASP- 82 - HA GLU- 109 4.000% * 0.2576% (0.88 1.0 0.02 0.02) = 0.258% HB3 ASP- 82 - HA GLU- 64 4.000% * 0.2016% (0.69 1.0 0.02 0.02) = 0.202% HB3 ASP- 82 - HA MET 126 4.000% * 0.1107% (0.38 1.0 0.02 0.02) = 0.111% HE2 LYS+ 120 - HA GLU- 109 4.000% * 0.0980% (0.34 1.0 0.02 0.02) = 0.098% HE2 LYS+ 120 - HA GLU- 64 4.000% * 0.0767% (0.26 1.0 0.02 0.02) = 0.077% HE2 LYS+ 20 - HA GLU- 109 4.000% * 0.0503% (0.17 1.0 0.02 0.02) = 0.050% HB2 ASP- 25 - HA GLU- 109 4.000% * 0.0443% (0.15 1.0 0.02 0.02) = 0.044% HE2 LYS+ 120 - HA MET 126 4.000% * 0.0421% (0.14 1.0 0.02 0.02) = 0.042% HE2 LYS+ 20 - HA GLU- 64 4.000% * 0.0394% (0.13 1.0 0.02 0.02) = 0.039% HB2 ASP- 25 - HA GLU- 64 4.000% * 0.0347% (0.12 1.0 0.02 0.02) = 0.035% HE2 LYS+ 120 - HA ASP- 82 4.000% * 0.0327% (0.11 1.0 0.02 0.02) = 0.033% HE2 LYS+ 20 - HA MET 126 4.000% * 0.0216% (0.07 1.0 0.02 0.02) = 0.022% HB2 ASP- 25 - HA MET 126 4.000% * 0.0190% (0.07 1.0 0.02 0.02) = 0.019% HE2 LYS+ 20 - HA ASP- 82 4.000% * 0.0168% (0.06 1.0 0.02 0.02) = 0.017% HB2 ASP- 25 - HA ASP- 82 4.000% * 0.0148% (0.05 1.0 0.02 0.02) = 0.015% HB3 ASP- 82 - HA LYS+ 44 4.000% * 0.0107% (0.04 1.0 0.02 0.02) = 0.011% HE2 LYS+ 120 - HA LYS+ 44 4.000% * 0.0041% (0.01 1.0 0.02 0.02) = 0.004% HE2 LYS+ 20 - HA LYS+ 44 4.000% * 0.0021% (0.01 1.0 0.02 0.15) = 0.002% HB2 ASP- 25 - HA LYS+ 44 4.000% * 0.0018% (0.01 1.0 0.02 0.02) = 0.002% Peak 991 (2.29, 4.27, 56.99 ppm): 20 chemical-shift based assignments, quality = 0.537, support = 1.5, residual support = 1.16: T HG3 GLU- 64 - HA GLU- 56 5.000% * 31.4007% (0.43 10.00 0.87 0.68) = 31.401% kept HB2 PRO 86 - HA SER 85 5.000% * 22.9113% (0.93 1.00 2.97 2.44) = 22.911% kept T HG3 GLU- 64 - HA LYS+ 108 5.000% * 12.0122% (0.33 10.00 0.44 0.02) = 12.012% kept HB3 PRO 86 - HA SER 85 5.000% * 9.2275% (0.30 1.00 3.67 2.44) = 9.227% kept T HG3 GLU- 64 - HA GLU- 75 5.000% * 7.3603% (0.60 10.00 0.15 0.02) = 7.360% kept HA1 GLY 58 - HA GLU- 56 5.000% * 5.2701% (0.33 1.00 1.91 2.95) = 5.270% kept HB2 PRO 86 - HA ARG+ 84 5.000% * 3.5286% (0.89 1.00 0.48 0.02) = 3.529% kept HA1 GLY 58 - HA ARG+ 84 5.000% * 2.5045% (0.47 1.00 0.65 0.02) = 2.504% kept HB3 PRO 86 - HA GLU- 56 5.000% * 1.2606% (0.21 1.00 0.73 0.02) = 1.261% kept T HG3 GLU- 64 - HA SER 85 5.000% * 1.0536% (0.63 10.00 0.02 0.02) = 1.054% kept T HG3 GLU- 64 - HA ARG+ 84 5.000% * 1.0158% (0.61 10.00 0.02 0.02) = 1.016% kept HA1 GLY 58 - HA SER 85 5.000% * 0.8531% (0.48 1.00 0.21 0.02) = 0.853% HB2 PRO 86 - HA GLU- 75 5.000% * 0.6305% (0.88 1.00 0.09 0.02) = 0.631% HA1 GLY 58 - HA GLU- 75 5.000% * 0.6218% (0.46 1.00 0.16 0.02) = 0.622% HB2 PRO 86 - HA GLU- 56 5.000% * 0.1057% (0.64 1.00 0.02 0.02) = 0.106% HB2 PRO 86 - HA LYS+ 108 5.000% * 0.0798% (0.48 1.00 0.02 0.02) = 0.080% HB3 PRO 86 - HA ARG+ 84 5.000% * 0.0485% (0.29 1.00 0.02 0.02) = 0.048% HB3 PRO 86 - HA GLU- 75 5.000% * 0.0477% (0.29 1.00 0.02 0.02) = 0.048% HA1 GLY 58 - HA LYS+ 108 5.000% * 0.0416% (0.25 1.00 0.02 0.02) = 0.042% HB3 PRO 86 - HA LYS+ 108 5.000% * 0.0260% (0.16 1.00 0.02 0.02) = 0.026% Peak 992 (2.21, 4.22, 56.98 ppm): 90 chemical-shift based assignments, quality = 0.561, support = 2.52, residual support = 7.99: O HG3 GLU- 109 - HA GLU- 109 1.111% * 58.0553% (0.79 10.0 2.78 11.63) = 58.055% kept O HG3 MET 126 - HA MET 126 1.111% * 20.5833% (0.28 10.0 2.31 3.12) = 20.583% kept O HG2 MET 126 - HA MET 126 1.111% * 14.9465% (0.20 10.0 2.31 3.12) = 14.947% kept HG3 GLU- 109 - HA LYS+ 108 1.111% * 2.3040% (0.28 1.0 2.23 2.25) = 2.304% kept HG3 GLU- 107 - HA LYS+ 108 1.111% * 1.7055% (0.24 1.0 1.94 4.22) = 1.705% kept HA1 GLY 58 - HA GLU- 64 1.111% * 0.3690% (0.19 1.0 0.54 0.18) = 0.369% HG3 GLU- 107 - HA GLU- 109 1.111% * 0.3126% (0.68 1.0 0.13 0.02) = 0.313% HA1 GLY 58 - HA LYS+ 44 1.111% * 0.2111% (0.02 1.0 2.51 3.73) = 0.211% HA1 GLY 58 - HA MET 126 1.111% * 0.1428% (0.10 1.0 0.38 0.02) = 0.143% HA1 GLY 58 - HA ASP- 82 1.111% * 0.0954% (0.04 1.0 0.58 0.02) = 0.095% HG3 GLU- 54 - HA GLU- 109 1.111% * 0.0625% (0.86 1.0 0.02 0.02) = 0.062% HG3 MET 126 - HA GLU- 109 1.111% * 0.0612% (0.84 1.0 0.02 0.02) = 0.061% HB2 LYS+ 113 - HA GLU- 109 1.111% * 0.0562% (0.77 1.0 0.02 0.02) = 0.056% HB2 GLU- 50 - HA GLU- 109 1.111% * 0.0518% (0.71 1.0 0.02 0.02) = 0.052% HG3 GLU- 18 - HA GLU- 109 1.111% * 0.0470% (0.64 1.0 0.02 0.02) = 0.047% HG2 MET 126 - HA GLU- 109 1.111% * 0.0445% (0.61 1.0 0.02 0.02) = 0.044% HG3 GLU- 54 - HA GLU- 64 1.111% * 0.0384% (0.53 1.0 0.02 0.02) = 0.038% HG3 MET 126 - HA GLU- 64 1.111% * 0.0376% (0.51 1.0 0.02 0.02) = 0.038% HG3 MET 118 - HA GLU- 109 1.111% * 0.0366% (0.50 1.0 0.02 0.42) = 0.037% HG3 GLU- 109 - HA GLU- 64 1.111% * 0.0357% (0.49 1.0 0.02 0.02) = 0.036% HB2 LYS+ 113 - HA GLU- 64 1.111% * 0.0345% (0.47 1.0 0.02 0.02) = 0.034% HB2 GLU- 50 - HA GLU- 64 1.111% * 0.0318% (0.44 1.0 0.02 0.02) = 0.032% HG3 GLU- 107 - HA GLU- 64 1.111% * 0.0304% (0.42 1.0 0.02 0.02) = 0.030% HB3 PRO 52 - HA GLU- 109 1.111% * 0.0290% (0.40 1.0 0.02 0.02) = 0.029% HB VAL 99 - HA GLU- 109 1.111% * 0.0290% (0.40 1.0 0.02 0.02) = 0.029% HG3 GLU- 18 - HA GLU- 64 1.111% * 0.0289% (0.40 1.0 0.02 0.02) = 0.029% HG2 MET 126 - HA GLU- 64 1.111% * 0.0273% (0.37 1.0 0.02 0.02) = 0.027% HG3 MET 118 - HA GLU- 64 1.111% * 0.0225% (0.31 1.0 0.02 0.02) = 0.023% HG3 GLU- 54 - HA LYS+ 108 1.111% * 0.0222% (0.30 1.0 0.02 0.02) = 0.022% HA1 GLY 58 - HA GLU- 109 1.111% * 0.0221% (0.30 1.0 0.02 0.02) = 0.022% HG3 MET 126 - HA LYS+ 108 1.111% * 0.0218% (0.30 1.0 0.02 0.02) = 0.022% HG3 GLU- 54 - HA MET 126 1.111% * 0.0210% (0.29 1.0 0.02 0.02) = 0.021% HB2 LYS+ 113 - HA LYS+ 108 1.111% * 0.0200% (0.27 1.0 0.02 0.02) = 0.020% HG3 GLU- 109 - HA MET 126 1.111% * 0.0195% (0.27 1.0 0.02 0.02) = 0.020% HB2 LYS+ 113 - HA MET 126 1.111% * 0.0189% (0.26 1.0 0.02 0.02) = 0.019% HB2 GLU- 50 - HA LYS+ 108 1.111% * 0.0184% (0.25 1.0 0.02 0.02) = 0.018% HB3 PRO 52 - HA GLU- 64 1.111% * 0.0178% (0.24 1.0 0.02 0.02) = 0.018% HB VAL 99 - HA GLU- 64 1.111% * 0.0178% (0.24 1.0 0.02 0.02) = 0.018% HB2 GLU- 50 - HA MET 126 1.111% * 0.0174% (0.24 1.0 0.02 0.02) = 0.017% HG3 GLU- 18 - HA LYS+ 108 1.111% * 0.0167% (0.23 1.0 0.02 0.02) = 0.017% HG3 GLU- 107 - HA MET 126 1.111% * 0.0166% (0.23 1.0 0.02 0.02) = 0.017% HG3 GLU- 75 - HA GLU- 109 1.111% * 0.0161% (0.22 1.0 0.02 0.02) = 0.016% HG2 MET 126 - HA LYS+ 108 1.111% * 0.0158% (0.22 1.0 0.02 0.02) = 0.016% HG3 GLU- 18 - HA MET 126 1.111% * 0.0158% (0.22 1.0 0.02 0.02) = 0.016% HG3 MET 118 - HA LYS+ 108 1.111% * 0.0130% (0.18 1.0 0.02 0.15) = 0.013% HB3 PRO 104 - HA GLU- 109 1.111% * 0.0128% (0.18 1.0 0.02 0.02) = 0.013% HG3 MET 118 - HA MET 126 1.111% * 0.0123% (0.17 1.0 0.02 0.02) = 0.012% HB3 PRO 52 - HA LYS+ 108 1.111% * 0.0103% (0.14 1.0 0.02 0.02) = 0.010% HB VAL 99 - HA LYS+ 108 1.111% * 0.0103% (0.14 1.0 0.02 0.02) = 0.010% HG3 GLU- 75 - HA GLU- 64 1.111% * 0.0099% (0.14 1.0 0.02 0.02) = 0.010% HB3 PRO 52 - HA MET 126 1.111% * 0.0098% (0.13 1.0 0.02 0.02) = 0.010% HB VAL 99 - HA MET 126 1.111% * 0.0098% (0.13 1.0 0.02 0.02) = 0.010% HG3 GLU- 54 - HA ASP- 82 1.111% * 0.0093% (0.13 1.0 0.02 0.02) = 0.009% HG3 MET 126 - HA ASP- 82 1.111% * 0.0091% (0.12 1.0 0.02 0.02) = 0.009% HB3 GLU- 75 - HA GLU- 109 1.111% * 0.0091% (0.12 1.0 0.02 0.02) = 0.009% HG3 GLU- 109 - HA ASP- 82 1.111% * 0.0086% (0.12 1.0 0.02 0.02) = 0.009% HB2 LYS+ 113 - HA ASP- 82 1.111% * 0.0083% (0.11 1.0 0.02 0.02) = 0.008% HA1 GLY 58 - HA LYS+ 108 1.111% * 0.0079% (0.11 1.0 0.02 0.02) = 0.008% HB3 PRO 104 - HA GLU- 64 1.111% * 0.0079% (0.11 1.0 0.02 0.02) = 0.008% HB2 GLU- 50 - HA ASP- 82 1.111% * 0.0077% (0.11 1.0 0.02 0.02) = 0.008% HG3 GLU- 107 - HA ASP- 82 1.111% * 0.0073% (0.10 1.0 0.02 0.02) = 0.007% HG3 GLU- 18 - HA ASP- 82 1.111% * 0.0070% (0.10 1.0 0.02 0.02) = 0.007% HG2 MET 126 - HA ASP- 82 1.111% * 0.0066% (0.09 1.0 0.02 0.02) = 0.007% HG3 GLU- 75 - HA LYS+ 108 1.111% * 0.0057% (0.08 1.0 0.02 0.02) = 0.006% HB3 GLU- 75 - HA GLU- 64 1.111% * 0.0056% (0.08 1.0 0.02 0.02) = 0.006% HG3 MET 118 - HA ASP- 82 1.111% * 0.0054% (0.07 1.0 0.02 0.02) = 0.005% HG3 GLU- 75 - HA MET 126 1.111% * 0.0054% (0.07 1.0 0.02 0.02) = 0.005% HG3 GLU- 54 - HA LYS+ 44 1.111% * 0.0048% (0.07 1.0 0.02 0.02) = 0.005% HG3 MET 126 - HA LYS+ 44 1.111% * 0.0047% (0.06 1.0 0.02 0.02) = 0.005% HB3 PRO 104 - HA LYS+ 108 1.111% * 0.0046% (0.06 1.0 0.02 0.02) = 0.005% HG3 GLU- 109 - HA LYS+ 44 1.111% * 0.0044% (0.06 1.0 0.02 0.02) = 0.004% HB3 PRO 104 - HA MET 126 1.111% * 0.0043% (0.06 1.0 0.02 0.11) = 0.004% HB3 PRO 52 - HA ASP- 82 1.111% * 0.0043% (0.06 1.0 0.02 0.02) = 0.004% HB VAL 99 - HA ASP- 82 1.111% * 0.0043% (0.06 1.0 0.02 0.02) = 0.004% HB2 LYS+ 113 - HA LYS+ 44 1.111% * 0.0043% (0.06 1.0 0.02 0.02) = 0.004% HB2 GLU- 50 - HA LYS+ 44 1.111% * 0.0039% (0.05 1.0 0.02 1.17) = 0.004% HG3 GLU- 107 - HA LYS+ 44 1.111% * 0.0038% (0.05 1.0 0.02 0.02) = 0.004% HG3 GLU- 18 - HA LYS+ 44 1.111% * 0.0036% (0.05 1.0 0.02 0.02) = 0.004% HG2 MET 126 - HA LYS+ 44 1.111% * 0.0034% (0.05 1.0 0.02 0.02) = 0.003% HB3 GLU- 75 - HA LYS+ 108 1.111% * 0.0032% (0.04 1.0 0.02 0.02) = 0.003% HB3 GLU- 75 - HA MET 126 1.111% * 0.0030% (0.04 1.0 0.02 0.02) = 0.003% HG3 MET 118 - HA LYS+ 44 1.111% * 0.0028% (0.04 1.0 0.02 0.02) = 0.003% HG3 GLU- 75 - HA ASP- 82 1.111% * 0.0024% (0.03 1.0 0.02 0.02) = 0.002% HB3 PRO 52 - HA LYS+ 44 1.111% * 0.0022% (0.03 1.0 0.02 0.02) = 0.002% HB VAL 99 - HA LYS+ 44 1.111% * 0.0022% (0.03 1.0 0.02 0.02) = 0.002% HB3 PRO 104 - HA ASP- 82 1.111% * 0.0019% (0.03 1.0 0.02 0.02) = 0.002% HB3 GLU- 75 - HA ASP- 82 1.111% * 0.0013% (0.02 1.0 0.02 0.02) = 0.001% HG3 GLU- 75 - HA LYS+ 44 1.111% * 0.0012% (0.02 1.0 0.02 0.02) = 0.001% HB3 PRO 104 - HA LYS+ 44 1.111% * 0.0010% (0.01 1.0 0.02 0.02) = 0.001% HB3 GLU- 75 - HA LYS+ 44 1.111% * 0.0007% (0.01 1.0 0.02 0.02) = 0.001% Peak 994 (1.91, 0.83, 15.60 ppm): 13 chemical-shift based assignments, quality = 0.704, support = 3.3, residual support = 53.7: O HB ILE 29 - QD1 ILE 29 7.692% * 86.7037% (0.69 10.0 1.00 3.58 60.56) = 86.704% kept HB2 LEU 23 - QD1 ILE 29 7.692% * 10.3536% (0.90 1.0 1.00 1.83 11.48) = 10.354% kept HB3 MET 118 - QD1 ILE 29 7.692% * 1.5989% (0.69 1.0 1.00 0.37 0.02) = 1.599% kept HB2 PRO 116 - QD1 ILE 29 7.692% * 0.3375% (0.43 1.0 1.00 0.13 0.02) = 0.337% T HG2 GLU- 18 - QD1 ILE 29 7.692% * 0.3320% (0.26 1.0 10.00 0.02 0.02) = 0.332% HD3 LYS+ 63 - QD1 ILE 29 7.692% * 0.1183% (0.94 1.0 1.00 0.02 0.02) = 0.118% HB3 GLU- 56 - QD1 ILE 29 7.692% * 0.1152% (0.92 1.0 1.00 0.02 0.25) = 0.115% HB3 GLN 102 - QD1 ILE 29 7.692% * 0.1071% (0.85 1.0 1.00 0.02 0.02) = 0.107% HB3 GLU- 54 - QD1 ILE 29 7.692% * 0.1036% (0.83 1.0 1.00 0.02 0.02) = 0.104% HB3 PRO 35 - QD1 ILE 29 7.692% * 0.1036% (0.83 1.0 1.00 0.02 0.02) = 0.104% HB3 CYS 123 - QD1 ILE 29 7.692% * 0.0581% (0.46 1.0 1.00 0.02 0.02) = 0.058% HG2 PRO 112 - QD1 ILE 29 7.692% * 0.0448% (0.36 1.0 1.00 0.02 0.02) = 0.045% HB2 GLU- 75 - QD1 ILE 29 7.692% * 0.0236% (0.19 1.0 1.00 0.02 0.02) = 0.024% Peak 995 (1.72, 0.83, 15.58 ppm): 2 chemical-shift based assignments, quality = 0.676, support = 1.9, residual support = 3.45: HB3 GLU- 50 - QD1 ILE 29 50.000% * 54.0924% (0.49 2.51 2.42) = 54.092% kept HB ILE 48 - QD1 ILE 29 50.000% * 45.9076% (0.89 1.19 4.65) = 45.908% kept Peak 996 (1.56, 0.83, 15.61 ppm): 9 chemical-shift based assignments, quality = 0.79, support = 2.58, residual support = 35.0: O HG13 ILE 29 - QD1 ILE 29 11.111% * 53.1130% (0.79 10.0 1.00 3.52 60.56) = 53.113% kept T HG LEU 17 - QD1 ILE 29 11.111% * 41.5753% (0.84 1.0 10.00 1.46 6.02) = 41.575% kept HB3 LEU 23 - QD1 ILE 29 11.111% * 3.2956% (0.35 1.0 1.00 2.76 11.48) = 3.296% kept QG2 THR 24 - QD1 ILE 29 11.111% * 1.5733% (0.68 1.0 1.00 0.68 0.02) = 1.573% kept HB3 LEU 90 - QD1 ILE 29 11.111% * 0.2602% (0.87 1.0 1.00 0.09 0.02) = 0.260% HD3 LYS+ 60 - QD1 ILE 29 11.111% * 0.0602% (0.89 1.0 1.00 0.02 0.02) = 0.060% HB ILE 19 - QD1 ILE 29 11.111% * 0.0552% (0.82 1.0 1.00 0.02 0.02) = 0.055% HG3 LYS+ 60 - QD1 ILE 29 11.111% * 0.0531% (0.79 1.0 1.00 0.02 0.02) = 0.053% HB3 LYS+ 32 - QD1 ILE 29 11.111% * 0.0142% (0.21 1.0 1.00 0.02 0.02) = 0.014% Peak 997 (0.92, 4.29, 57.07 ppm): 56 chemical-shift based assignments, quality = 0.199, support = 0.809, residual support = 1.26: HG LEU 74 - HA GLU- 75 1.786% * 28.2574% (0.20 2.00 3.20) = 28.257% kept HG LEU 74 - HA ARG+ 84 1.786% * 14.2269% (0.29 0.70 2.19) = 14.227% kept HG LEU 74 - HA SER 85 1.786% * 7.6428% (0.40 0.28 0.02) = 7.643% kept QG2 VAL 62 - HA ARG+ 84 1.786% * 5.4540% (0.18 0.45 0.23) = 5.454% kept HG13 ILE 68 - HA ARG+ 84 1.786% * 4.8287% (0.23 0.31 0.02) = 4.829% kept QG2 VAL 62 - HA GLU- 56 1.786% * 4.3072% (0.09 0.73 0.02) = 4.307% kept HG LEU 74 - HA GLU- 56 1.786% * 3.2281% (0.14 0.33 0.02) = 3.228% kept QG2 VAL 73 - HA GLU- 75 1.786% * 2.9793% (0.32 0.13 0.32) = 2.979% kept QD1 LEU 67 - HA ARG+ 84 1.786% * 2.6268% (0.19 0.20 0.27) = 2.627% kept QG2 VAL 87 - HA SER 85 1.786% * 2.4453% (0.29 0.12 0.02) = 2.445% kept QG1 VAL 47 - HA ARG+ 84 1.786% * 2.3567% (0.16 0.21 0.02) = 2.357% kept HG12 ILE 29 - HA GLU- 56 1.786% * 2.3476% (0.09 0.36 0.25) = 2.348% kept QG2 VAL 62 - HA SER 85 1.786% * 2.3391% (0.24 0.14 0.02) = 2.339% kept HG13 ILE 68 - HA GLU- 75 1.786% * 1.9514% (0.16 0.18 0.02) = 1.951% kept QG2 ILE 29 - HA GLU- 56 1.786% * 1.9212% (0.07 0.39 0.25) = 1.921% kept QG2 VAL 87 - HA ARG+ 84 1.786% * 1.1354% (0.21 0.08 0.02) = 1.135% kept QG2 VAL 105 - HA ARG+ 84 1.786% * 0.8646% (0.15 0.09 0.02) = 0.865% QG2 VAL 73 - HA SER 85 1.786% * 0.8641% (0.63 0.02 0.02) = 0.864% QD1 LEU 17 - HA SER 85 1.786% * 0.6737% (0.49 0.02 0.02) = 0.674% QG1 VAL 105 - HA SER 85 1.786% * 0.6402% (0.46 0.02 0.02) = 0.640% QG2 VAL 73 - HA ARG+ 84 1.786% * 0.6372% (0.46 0.02 0.02) = 0.637% QD1 LEU 17 - HA ARG+ 84 1.786% * 0.4968% (0.36 0.02 0.11) = 0.497% QG1 VAL 105 - HA ARG+ 84 1.786% * 0.4720% (0.34 0.02 0.02) = 0.472% HG13 ILE 68 - HA SER 85 1.786% * 0.4291% (0.31 0.02 0.02) = 0.429% HG3 LYS+ 63 - HA GLU- 56 1.786% * 0.4270% (0.05 0.12 0.02) = 0.427% HG12 ILE 29 - HA SER 85 1.786% * 0.3624% (0.26 0.02 0.02) = 0.362% QD1 LEU 67 - HA SER 85 1.786% * 0.3624% (0.26 0.02 0.02) = 0.362% QD1 LEU 17 - HA GLU- 75 1.786% * 0.3446% (0.25 0.02 0.02) = 0.345% QG1 VAL 105 - HA GLU- 75 1.786% * 0.3274% (0.24 0.02 0.02) = 0.327% QG2 VAL 73 - HA GLU- 56 1.786% * 0.3100% (0.22 0.02 0.13) = 0.310% QG1 VAL 47 - HA SER 85 1.786% * 0.3007% (0.22 0.02 0.02) = 0.301% QG2 ILE 29 - HA SER 85 1.786% * 0.2721% (0.20 0.02 0.02) = 0.272% HG12 ILE 68 - HA SER 85 1.786% * 0.2721% (0.20 0.02 0.02) = 0.272% QG2 VAL 105 - HA SER 85 1.786% * 0.2721% (0.20 0.02 0.02) = 0.272% HG12 ILE 29 - HA ARG+ 84 1.786% * 0.2672% (0.19 0.02 0.02) = 0.267% QD1 LEU 17 - HA GLU- 56 1.786% * 0.2417% (0.18 0.02 0.02) = 0.242% QG1 VAL 105 - HA GLU- 56 1.786% * 0.2296% (0.17 0.02 0.02) = 0.230% QG2 VAL 87 - HA GLU- 75 1.786% * 0.2022% (0.15 0.02 0.02) = 0.202% QG2 ILE 29 - HA ARG+ 84 1.786% * 0.2006% (0.15 0.02 0.02) = 0.201% HG12 ILE 68 - HA ARG+ 84 1.786% * 0.2006% (0.15 0.02 0.02) = 0.201% HG3 LYS+ 63 - HA SER 85 1.786% * 0.1963% (0.14 0.02 0.02) = 0.196% HG12 ILE 29 - HA GLU- 75 1.786% * 0.1854% (0.13 0.02 0.02) = 0.185% QD1 LEU 67 - HA GLU- 75 1.786% * 0.1854% (0.13 0.02 0.02) = 0.185% QG2 VAL 62 - HA GLU- 75 1.786% * 0.1692% (0.12 0.02 0.02) = 0.169% HG13 ILE 68 - HA GLU- 56 1.786% * 0.1539% (0.11 0.02 0.02) = 0.154% QG1 VAL 47 - HA GLU- 75 1.786% * 0.1538% (0.11 0.02 0.02) = 0.154% HG3 LYS+ 63 - HA ARG+ 84 1.786% * 0.1447% (0.10 0.02 0.02) = 0.145% QG2 VAL 87 - HA GLU- 56 1.786% * 0.1418% (0.10 0.02 0.02) = 0.142% QG2 ILE 29 - HA GLU- 75 1.786% * 0.1392% (0.10 0.02 0.02) = 0.139% HG12 ILE 68 - HA GLU- 75 1.786% * 0.1392% (0.10 0.02 0.02) = 0.139% QG2 VAL 105 - HA GLU- 75 1.786% * 0.1392% (0.10 0.02 0.02) = 0.139% QD1 LEU 67 - HA GLU- 56 1.786% * 0.1300% (0.09 0.02 0.02) = 0.130% QG1 VAL 47 - HA GLU- 56 1.786% * 0.1079% (0.08 0.02 0.02) = 0.108% HG3 LYS+ 63 - HA GLU- 75 1.786% * 0.1004% (0.07 0.02 0.02) = 0.100% HG12 ILE 68 - HA GLU- 56 1.786% * 0.0976% (0.07 0.02 0.02) = 0.098% QG2 VAL 105 - HA GLU- 56 1.786% * 0.0976% (0.07 0.02 0.02) = 0.098% Not enough quality. Peak unassigned. Peak 999 (0.83, 0.83, 15.61 ppm): 1 diagonal assignment: QD1 ILE 29 - QD1 ILE 29 (0.89) kept Peak 1002 (0.29, 0.83, 15.60 ppm): 1 chemical-shift based assignment, quality = 0.942, support = 2.43, residual support = 11.5: QD2 LEU 23 - QD1 ILE 29 100.000% *100.0000% (0.94 2.43 11.48) = 100.000% kept Peak 1004 (8.65, 4.28, 56.71 ppm): 4 chemical-shift based assignments, quality = 0.171, support = 2.89, residual support = 8.07: O HN SER 85 - HA ARG+ 84 25.000% * 57.7444% (0.19 10.0 2.91 8.68) = 57.744% kept O HN SER 85 - HA SER 85 25.000% * 42.2103% (0.14 10.0 2.86 7.23) = 42.210% kept HN SER 85 - HA GLU- 75 25.000% * 0.0366% (0.12 1.0 0.02 0.02) = 0.037% HN SER 85 - HA LYS+ 108 25.000% * 0.0087% (0.03 1.0 0.02 0.02) = 0.009% Peak 1005 (8.34, 4.26, 56.70 ppm): 35 chemical-shift based assignments, quality = 0.155, support = 1.89, residual support = 6.43: O HN GLU- 109 - HA LYS+ 108 2.857% * 41.3071% (0.19 10.0 1.61 2.25) = 41.307% kept O HN LYS+ 108 - HA LYS+ 108 2.857% * 31.0285% (0.11 10.0 3.09 17.62) = 31.028% kept O HN ASN 76 - HA GLU- 75 2.857% * 20.5383% (0.15 10.0 1.00 0.18) = 20.538% kept HN ALA 103 - HA GLU- 18 2.857% * 3.6810% (0.18 1.0 1.51 0.02) = 3.681% kept HN ALA 103 - HA GLU- 75 2.857% * 1.0883% (0.32 1.0 0.25 0.02) = 1.088% kept HN LYS+ 108 - HA ARG+ 84 2.857% * 0.9239% (0.22 1.0 0.31 0.02) = 0.924% HN GLU- 50 - HA ARG+ 84 2.857% * 0.1059% (0.39 1.0 0.02 0.02) = 0.106% HN GLU- 50 - HA GLU- 75 2.857% * 0.1010% (0.37 1.0 0.02 0.02) = 0.101% HN GLU- 109 - HA ARG+ 84 2.857% * 0.0995% (0.37 1.0 0.02 0.02) = 0.100% HN GLU- 109 - HA GLU- 75 2.857% * 0.0949% (0.35 1.0 0.02 0.02) = 0.095% HN ALA 103 - HA ARG+ 84 2.857% * 0.0919% (0.34 1.0 0.02 0.02) = 0.092% HN GLU- 50 - HA SER 85 2.857% * 0.0651% (0.24 1.0 0.02 0.02) = 0.065% HN GLU- 109 - HA SER 85 2.857% * 0.0611% (0.23 1.0 0.02 0.02) = 0.061% HN LYS+ 108 - HA GLU- 75 2.857% * 0.0576% (0.21 1.0 0.02 0.02) = 0.058% HN ALA 103 - HA SER 85 2.857% * 0.0564% (0.21 1.0 0.02 0.02) = 0.056% HN GLU- 50 - HA GLU- 18 2.857% * 0.0562% (0.21 1.0 0.02 0.14) = 0.056% HN GLY 114 - HA ARG+ 84 2.857% * 0.0558% (0.21 1.0 0.02 0.02) = 0.056% HN GLU- 50 - HA LYS+ 108 2.857% * 0.0544% (0.20 1.0 0.02 0.02) = 0.054% HN GLY 114 - HA GLU- 75 2.857% * 0.0533% (0.20 1.0 0.02 0.02) = 0.053% HN GLU- 109 - HA GLU- 18 2.857% * 0.0528% (0.20 1.0 0.02 0.02) = 0.053% HN ALA 103 - HA LYS+ 108 2.857% * 0.0472% (0.17 1.0 0.02 0.02) = 0.047% HN ASN 76 - HA ARG+ 84 2.857% * 0.0431% (0.16 1.0 0.02 0.02) = 0.043% HN LYS+ 108 - HA SER 85 2.857% * 0.0371% (0.14 1.0 0.02 0.02) = 0.037% HN GLY 114 - HA SER 85 2.857% * 0.0343% (0.13 1.0 0.02 0.02) = 0.034% HN LYS+ 108 - HA GLU- 18 2.857% * 0.0320% (0.12 1.0 0.02 0.02) = 0.032% HN GLY 114 - HA GLU- 18 2.857% * 0.0296% (0.11 1.0 0.02 0.02) = 0.030% HN GLY 114 - HA LYS+ 108 2.857% * 0.0287% (0.11 1.0 0.02 0.15) = 0.029% HN GLY 71 - HA ARG+ 84 2.857% * 0.0286% (0.11 1.0 0.02 0.02) = 0.029% HN GLY 71 - HA GLU- 75 2.857% * 0.0273% (0.10 1.0 0.02 0.02) = 0.027% HN ASN 76 - HA SER 85 2.857% * 0.0265% (0.10 1.0 0.02 0.02) = 0.026% HN ASN 76 - HA GLU- 18 2.857% * 0.0228% (0.08 1.0 0.02 0.02) = 0.023% HN ASN 76 - HA LYS+ 108 2.857% * 0.0221% (0.08 1.0 0.02 0.02) = 0.022% HN GLY 71 - HA SER 85 2.857% * 0.0176% (0.07 1.0 0.02 0.02) = 0.018% HN GLY 71 - HA GLU- 18 2.857% * 0.0152% (0.06 1.0 0.02 0.02) = 0.015% HN GLY 71 - HA LYS+ 108 2.857% * 0.0147% (0.05 1.0 0.02 0.02) = 0.015% Peak 1006 (8.36, 4.21, 56.81 ppm): 30 chemical-shift based assignments, quality = 0.356, support = 2.16, residual support = 10.5: O HN GLU- 109 - HA GLU- 109 3.333% * 59.7472% (0.47 10.0 2.08 11.63) = 59.747% kept O HN LYS+ 108 - HA LYS+ 108 3.333% * 17.6442% (0.14 10.0 3.09 17.62) = 17.644% kept O HN GLU- 109 - HA LYS+ 108 3.333% * 13.4172% (0.13 10.0 1.61 2.25) = 13.417% kept HN LYS+ 108 - HA GLU- 109 3.333% * 6.5122% (0.50 1.0 2.05 2.25) = 6.512% kept HN ALA 103 - HA GLU- 18 3.333% * 1.7063% (0.18 1.0 1.51 0.02) = 1.706% kept HN GLU- 50 - HA LYS+ 44 3.333% * 0.1871% (0.07 1.0 0.42 1.17) = 0.187% HN ALA 103 - HA GLU- 109 3.333% * 0.0625% (0.49 1.0 0.02 0.02) = 0.062% HN LYS+ 108 - HA GLU- 64 3.333% * 0.0591% (0.46 1.0 0.02 0.02) = 0.059% HN ALA 103 - HA GLU- 64 3.333% * 0.0582% (0.46 1.0 0.02 0.02) = 0.058% HN GLU- 109 - HA GLU- 64 3.333% * 0.0557% (0.44 1.0 0.02 0.02) = 0.056% HN LYS+ 108 - HA MET 126 3.333% * 0.0516% (0.40 1.0 0.02 0.02) = 0.052% HN ALA 103 - HA MET 126 3.333% * 0.0508% (0.40 1.0 0.02 0.02) = 0.051% HN GLY 71 - HA GLU- 109 3.333% * 0.0495% (0.39 1.0 0.02 0.02) = 0.049% HN GLU- 109 - HA MET 126 3.333% * 0.0486% (0.38 1.0 0.02 0.02) = 0.049% HN GLY 71 - HA GLU- 64 3.333% * 0.0461% (0.36 1.0 0.02 0.02) = 0.046% HN GLY 71 - HA MET 126 3.333% * 0.0403% (0.31 1.0 0.02 0.02) = 0.040% HN GLU- 50 - HA GLU- 109 3.333% * 0.0266% (0.21 1.0 0.02 0.02) = 0.027% HN GLU- 50 - HA GLU- 64 3.333% * 0.0248% (0.19 1.0 0.02 0.02) = 0.025% HN LYS+ 108 - HA GLU- 18 3.333% * 0.0229% (0.18 1.0 0.02 0.02) = 0.023% HN GLU- 50 - HA MET 126 3.333% * 0.0217% (0.17 1.0 0.02 0.02) = 0.022% HN GLU- 109 - HA GLU- 18 3.333% * 0.0216% (0.17 1.0 0.02 0.02) = 0.022% HN LYS+ 108 - HA LYS+ 44 3.333% * 0.0215% (0.17 1.0 0.02 0.02) = 0.021% HN ALA 103 - HA LYS+ 44 3.333% * 0.0212% (0.17 1.0 0.02 0.02) = 0.021% HN GLU- 109 - HA LYS+ 44 3.333% * 0.0202% (0.16 1.0 0.02 0.02) = 0.020% HN GLY 71 - HA GLU- 18 3.333% * 0.0179% (0.14 1.0 0.02 0.02) = 0.018% HN ALA 103 - HA LYS+ 108 3.333% * 0.0174% (0.14 1.0 0.02 0.02) = 0.017% HN GLY 71 - HA LYS+ 44 3.333% * 0.0168% (0.13 1.0 0.02 0.24) = 0.017% HN GLY 71 - HA LYS+ 108 3.333% * 0.0138% (0.11 1.0 0.02 0.02) = 0.014% HN GLU- 50 - HA GLU- 18 3.333% * 0.0096% (0.08 1.0 0.02 0.14) = 0.010% HN GLU- 50 - HA LYS+ 108 3.333% * 0.0074% (0.06 1.0 0.02 0.02) = 0.007% Peak 1007 (8.07, 4.22, 56.74 ppm): 28 chemical-shift based assignments, quality = 0.243, support = 2.55, residual support = 7.43: O HN LYS+ 110 - HA GLU- 109 3.571% * 92.6941% (0.25 10.0 2.70 7.99) = 92.694% kept HN MET 118 - HA GLU- 109 3.571% * 3.8209% (0.27 1.0 0.76 0.42) = 3.821% kept HN MET 118 - HA LYS+ 108 3.571% * 1.5257% (0.11 1.0 0.74 0.15) = 1.526% kept HN LYS+ 110 - HA GLU- 18 3.571% * 0.5173% (0.27 1.0 0.10 0.02) = 0.517% HN MET 118 - HA LYS+ 44 3.571% * 0.2882% (0.16 1.0 0.10 0.02) = 0.288% HN MET 118 - HA GLU- 18 3.571% * 0.1100% (0.30 1.0 0.02 0.02) = 0.110% HN CYS 121 - HA GLU- 18 3.571% * 0.1015% (0.27 1.0 0.02 0.02) = 0.102% HN CYS 121 - HA GLU- 109 3.571% * 0.0927% (0.25 1.0 0.02 0.02) = 0.093% HN MET 118 - HA GLU- 64 3.571% * 0.0914% (0.25 1.0 0.02 0.02) = 0.091% HN MET 118 - HA MET 126 3.571% * 0.0869% (0.23 1.0 0.02 0.02) = 0.087% HN LYS+ 110 - HA GLU- 64 3.571% * 0.0844% (0.23 1.0 0.02 0.02) = 0.084% HN CYS 121 - HA GLU- 64 3.571% * 0.0844% (0.23 1.0 0.02 0.02) = 0.084% HN CYS 121 - HA MET 126 3.571% * 0.0803% (0.22 1.0 0.02 0.02) = 0.080% HN LYS+ 110 - HA MET 126 3.571% * 0.0803% (0.22 1.0 0.02 0.02) = 0.080% HN CYS 121 - HA LYS+ 44 3.571% * 0.0559% (0.15 1.0 0.02 0.02) = 0.056% HN LYS+ 110 - HA LYS+ 44 3.571% * 0.0559% (0.15 1.0 0.02 0.02) = 0.056% HN CYS 121 - HA LYS+ 108 3.571% * 0.0382% (0.10 1.0 0.02 0.02) = 0.038% HN LYS+ 110 - HA LYS+ 108 3.571% * 0.0382% (0.10 1.0 0.02 0.02) = 0.038% HN VAL 122 - HA GLU- 18 3.571% * 0.0282% (0.08 1.0 0.02 0.02) = 0.028% HN VAL 122 - HA GLU- 109 3.571% * 0.0258% (0.07 1.0 0.02 0.02) = 0.026% HN VAL 122 - HA GLU- 64 3.571% * 0.0235% (0.06 1.0 0.02 0.02) = 0.023% HN VAL 122 - HA MET 126 3.571% * 0.0223% (0.06 1.0 0.02 0.02) = 0.022% HN VAL 122 - HA LYS+ 44 3.571% * 0.0155% (0.04 1.0 0.02 0.02) = 0.016% HN VAL 122 - HA LYS+ 108 3.571% * 0.0106% (0.03 1.0 0.02 0.02) = 0.011% HN MET 118 - HA GLU- 56 3.571% * 0.0089% (0.02 1.0 0.02 0.02) = 0.009% HN LYS+ 110 - HA GLU- 56 3.571% * 0.0082% (0.02 1.0 0.02 0.02) = 0.008% HN CYS 121 - HA GLU- 56 3.571% * 0.0082% (0.02 1.0 0.02 0.02) = 0.008% HN VAL 122 - HA GLU- 56 3.571% * 0.0023% (0.01 1.0 0.02 0.02) = 0.002% Peak 1009 (7.35, 4.28, 56.67 ppm): 16 chemical-shift based assignments, quality = 0.15, support = 0.813, residual support = 1.83: HE22 GLN 102 - HA GLU- 75 6.250% * 58.9671% (0.16 1.24 3.10) = 58.967% kept QE PHE 34 - HA ARG+ 84 6.250% * 16.7643% (0.18 0.32 0.02) = 16.764% kept QE PHE 34 - HA SER 85 6.250% * 5.3026% (0.12 0.14 0.02) = 5.303% kept QE PHE 34 - HA GLU- 75 6.250% * 4.6829% (0.10 0.15 0.02) = 4.683% kept HZ PHE 34 - HA GLU- 75 6.250% * 4.3285% (0.10 0.14 0.02) = 4.329% kept HE22 GLN 102 - HA LYS+ 108 6.250% * 2.6002% (0.03 0.27 0.02) = 2.600% kept HE22 GLN 102 - HA ARG+ 84 6.250% * 1.6191% (0.27 0.02 0.02) = 1.619% kept HE22 GLN 102 - HA SER 85 6.250% * 1.1360% (0.19 0.02 0.02) = 1.136% kept HZ2 TRP 51 - HA ARG+ 84 6.250% * 1.0568% (0.18 0.02 0.02) = 1.057% kept HZ PHE 34 - HA ARG+ 84 6.250% * 1.0568% (0.18 0.02 0.02) = 1.057% kept HZ2 TRP 51 - HA SER 85 6.250% * 0.7414% (0.12 0.02 0.02) = 0.741% HZ PHE 34 - HA SER 85 6.250% * 0.7414% (0.12 0.02 0.02) = 0.741% HZ2 TRP 51 - HA GLU- 75 6.250% * 0.6207% (0.10 0.02 0.02) = 0.621% QE PHE 34 - HA LYS+ 108 6.250% * 0.1274% (0.02 0.02 0.02) = 0.127% HZ PHE 34 - HA LYS+ 108 6.250% * 0.1274% (0.02 0.02 0.02) = 0.127% HZ2 TRP 51 - HA LYS+ 108 6.250% * 0.1274% (0.02 0.02 0.02) = 0.127% Not enough quality. Peak unassigned. Peak 1012 (4.80, 4.28, 56.88 ppm): 25 chemical-shift based assignments, quality = 0.256, support = 1.15, residual support = 2.07: HA GLU- 107 - HA LYS+ 108 4.000% * 48.1306% (0.14 2.21 4.22) = 48.131% kept HA PRO 116 - HA LYS+ 108 4.000% * 10.6123% (0.11 0.60 0.30) = 10.612% kept HA GLU- 107 - HA ARG+ 84 4.000% * 8.7499% (0.58 0.09 0.02) = 8.750% kept HA GLU- 107 - HA SER 85 4.000% * 8.4864% (0.55 0.10 0.02) = 8.486% kept HA MET 97 - HA ARG+ 84 4.000% * 3.0113% (0.25 0.08 0.02) = 3.011% kept HA MET 97 - HA SER 85 4.000% * 2.9206% (0.24 0.08 0.02) = 2.921% kept HA LYS+ 113 - HA ARG+ 84 4.000% * 2.2017% (0.69 0.02 0.02) = 2.202% kept HA LYS+ 113 - HA SER 85 4.000% * 2.0712% (0.65 0.02 0.02) = 2.071% kept HA LYS+ 113 - HA GLU- 75 4.000% * 1.6332% (0.51 0.02 0.02) = 1.633% kept HA PRO 116 - HA ARG+ 84 4.000% * 1.5158% (0.47 0.02 0.02) = 1.516% kept HA PRO 116 - HA SER 85 4.000% * 1.4259% (0.45 0.02 0.02) = 1.426% kept HA GLU- 107 - HA GLU- 75 4.000% * 1.3824% (0.43 0.02 0.02) = 1.382% kept HA PRO 116 - HA GLU- 75 4.000% * 1.1243% (0.35 0.02 0.02) = 1.124% kept HA ASP- 115 - HA ARG+ 84 4.000% * 1.0813% (0.34 0.02 0.02) = 1.081% kept HA ASP- 115 - HA SER 85 4.000% * 1.0171% (0.32 0.02 0.02) = 1.017% kept HA ASP- 115 - HA GLU- 75 4.000% * 0.8020% (0.25 0.02 0.02) = 0.802% HA LYS+ 113 - HA GLU- 56 4.000% * 0.6738% (0.21 0.02 0.02) = 0.674% HA MET 97 - HA GLU- 75 4.000% * 0.5942% (0.19 0.02 0.02) = 0.594% HA GLU- 107 - HA GLU- 56 4.000% * 0.5703% (0.18 0.02 0.02) = 0.570% HA LYS+ 113 - HA LYS+ 108 4.000% * 0.5153% (0.16 0.02 0.02) = 0.515% HA PRO 116 - HA GLU- 56 4.000% * 0.4638% (0.14 0.02 0.02) = 0.464% HA ASP- 115 - HA GLU- 56 4.000% * 0.3309% (0.10 0.02 0.02) = 0.331% HA ASP- 115 - HA LYS+ 108 4.000% * 0.2531% (0.08 0.02 0.02) = 0.253% HA MET 97 - HA GLU- 56 4.000% * 0.2451% (0.08 0.02 0.02) = 0.245% HA MET 97 - HA LYS+ 108 4.000% * 0.1875% (0.06 0.02 0.02) = 0.187% Peak 1014 (4.44, 4.25, 56.86 ppm): 70 chemical-shift based assignments, quality = 0.0731, support = 1.08, residual support = 1.49: O HA PRO 86 - HA SER 85 1.429% * 58.7131% (0.06 10.0 1.46 2.44) = 58.713% kept HA ILE 101 - HA GLU- 18 1.429% * 5.6772% (0.03 1.0 2.56 0.93) = 5.677% kept HA VAL 99 - HA GLU- 18 1.429% * 4.0101% (0.07 1.0 0.80 0.02) = 4.010% kept HA ILE 101 - HA LYS+ 108 1.429% * 3.4391% (0.18 1.0 0.26 0.02) = 3.439% kept HA LYS+ 66 - HA LYS+ 108 1.429% * 3.1971% (0.38 1.0 0.12 0.02) = 3.197% kept HA LYS+ 111 - HA GLU- 109 1.429% * 2.1646% (0.12 1.0 0.25 0.02) = 2.165% kept HA ILE 100 - HA GLU- 18 1.429% * 1.9254% (0.03 1.0 0.97 0.02) = 1.925% kept HA PRO 86 - HA ARG+ 84 1.429% * 1.3260% (0.08 1.0 0.24 0.02) = 1.326% kept HB THR 24 - HA LYS+ 108 1.429% * 1.0204% (0.70 1.0 0.02 0.02) = 1.020% kept HA LYS+ 111 - HA LYS+ 108 1.429% * 1.0046% (0.69 1.0 0.02 0.02) = 1.005% kept HA GLU- 50 - HA GLU- 18 1.429% * 0.9900% (0.05 1.0 0.27 0.14) = 0.990% HB THR 24 - HA GLU- 75 1.429% * 0.8858% (0.61 1.0 0.02 0.02) = 0.886% HA LYS+ 111 - HA GLU- 75 1.429% * 0.8721% (0.60 1.0 0.02 0.02) = 0.872% HB THR 24 - HA ARG+ 84 1.429% * 0.6259% (0.43 1.0 0.02 0.02) = 0.626% HA LYS+ 111 - HA ARG+ 84 1.429% * 0.6162% (0.42 1.0 0.02 0.02) = 0.616% HA CYS 121 - HA LYS+ 108 1.429% * 0.5894% (0.40 1.0 0.02 0.02) = 0.589% HA VAL 99 - HA LYS+ 108 1.429% * 0.5894% (0.40 1.0 0.02 0.02) = 0.589% HB THR 24 - HA GLU- 56 1.429% * 0.5663% (0.39 1.0 0.02 0.02) = 0.566% HA LYS+ 111 - HA GLU- 56 1.429% * 0.5576% (0.38 1.0 0.02 0.02) = 0.558% HA CYS 121 - HA GLU- 75 1.429% * 0.5116% (0.35 1.0 0.02 0.02) = 0.512% HA VAL 99 - HA GLU- 75 1.429% * 0.5116% (0.35 1.0 0.02 0.02) = 0.512% HA LYS+ 66 - HA GLU- 75 1.429% * 0.4755% (0.33 1.0 0.02 0.02) = 0.475% HB THR 24 - HA SER 85 1.429% * 0.4496% (0.31 1.0 0.02 0.02) = 0.450% HA LYS+ 111 - HA SER 85 1.429% * 0.4427% (0.30 1.0 0.02 0.02) = 0.443% HA LYS+ 66 - HA GLU- 18 1.429% * 0.4286% (0.06 1.0 0.09 0.02) = 0.429% HA GLU- 50 - HA LYS+ 108 1.429% * 0.4280% (0.29 1.0 0.02 0.02) = 0.428% HA GLU- 50 - HA GLU- 75 1.429% * 0.3715% (0.25 1.0 0.02 0.02) = 0.372% HA CYS 121 - HA ARG+ 84 1.429% * 0.3615% (0.25 1.0 0.02 0.02) = 0.361% HA VAL 99 - HA ARG+ 84 1.429% * 0.3615% (0.25 1.0 0.02 0.02) = 0.361% HA LYS+ 66 - HA ARG+ 84 1.429% * 0.3359% (0.23 1.0 0.02 0.02) = 0.336% HA CYS 121 - HA GLU- 56 1.429% * 0.3271% (0.22 1.0 0.02 0.02) = 0.327% HA VAL 99 - HA GLU- 56 1.429% * 0.3271% (0.22 1.0 0.02 0.02) = 0.327% HA LYS+ 66 - HA GLU- 56 1.429% * 0.3040% (0.21 1.0 0.02 0.02) = 0.304% HA THR 24 - HA LYS+ 108 1.429% * 0.2894% (0.20 1.0 0.02 0.02) = 0.289% HA GLU- 50 - HA ARG+ 84 1.429% * 0.2625% (0.18 1.0 0.02 0.02) = 0.262% HA CYS 121 - HA SER 85 1.429% * 0.2597% (0.18 1.0 0.02 0.02) = 0.260% HA VAL 99 - HA SER 85 1.429% * 0.2597% (0.18 1.0 0.02 0.02) = 0.260% HA THR 24 - HA GLU- 75 1.429% * 0.2513% (0.17 1.0 0.02 0.02) = 0.251% HA LYS+ 66 - HA SER 85 1.429% * 0.2413% (0.17 1.0 0.02 0.02) = 0.241% HA GLU- 50 - HA GLU- 56 1.429% * 0.2375% (0.16 1.0 0.02 0.02) = 0.238% HA ILE 100 - HA LYS+ 108 1.429% * 0.2318% (0.16 1.0 0.02 0.02) = 0.232% HA ILE 101 - HA GLU- 75 1.429% * 0.2253% (0.15 1.0 0.02 3.18) = 0.225% HA ILE 100 - HA GLU- 75 1.429% * 0.2012% (0.14 1.0 0.02 0.02) = 0.201% HA GLU- 50 - HA SER 85 1.429% * 0.1886% (0.13 1.0 0.02 0.02) = 0.189% HA PRO 86 - HA LYS+ 108 1.429% * 0.1823% (0.12 1.0 0.02 0.02) = 0.182% HB THR 24 - HA GLU- 109 1.429% * 0.1777% (0.12 1.0 0.02 0.02) = 0.178% HA THR 24 - HA ARG+ 84 1.429% * 0.1775% (0.12 1.0 0.02 0.02) = 0.178% HB THR 24 - HA GLU- 18 1.429% * 0.1742% (0.12 1.0 0.02 0.02) = 0.174% HA LYS+ 111 - HA GLU- 18 1.429% * 0.1715% (0.12 1.0 0.02 0.02) = 0.171% HA THR 24 - HA GLU- 56 1.429% * 0.1606% (0.11 1.0 0.02 0.02) = 0.161% HA ILE 101 - HA ARG+ 84 1.429% * 0.1592% (0.11 1.0 0.02 0.02) = 0.159% HA PRO 86 - HA GLU- 75 1.429% * 0.1583% (0.11 1.0 0.02 0.02) = 0.158% HA ILE 101 - HA GLU- 56 1.429% * 0.1441% (0.10 1.0 0.02 0.02) = 0.144% HA ILE 100 - HA ARG+ 84 1.429% * 0.1422% (0.10 1.0 0.02 0.02) = 0.142% HA ILE 100 - HA GLU- 56 1.429% * 0.1286% (0.09 1.0 0.02 0.02) = 0.129% HA THR 24 - HA SER 85 1.429% * 0.1275% (0.09 1.0 0.02 0.02) = 0.128% HA ILE 101 - HA SER 85 1.429% * 0.1144% (0.08 1.0 0.02 0.02) = 0.114% HA CYS 121 - HA GLU- 109 1.429% * 0.1026% (0.07 1.0 0.02 0.02) = 0.103% HA VAL 99 - HA GLU- 109 1.429% * 0.1026% (0.07 1.0 0.02 0.02) = 0.103% HA ILE 100 - HA SER 85 1.429% * 0.1021% (0.07 1.0 0.02 0.02) = 0.102% HA PRO 86 - HA GLU- 56 1.429% * 0.1012% (0.07 1.0 0.02 0.02) = 0.101% HA CYS 121 - HA GLU- 18 1.429% * 0.1006% (0.07 1.0 0.02 0.02) = 0.101% HA LYS+ 66 - HA GLU- 109 1.429% * 0.0954% (0.07 1.0 0.02 0.02) = 0.095% HA GLU- 50 - HA GLU- 109 1.429% * 0.0745% (0.05 1.0 0.02 0.02) = 0.075% HA THR 24 - HA GLU- 109 1.429% * 0.0504% (0.03 1.0 0.02 0.02) = 0.050% HA THR 24 - HA GLU- 18 1.429% * 0.0494% (0.03 1.0 0.02 0.02) = 0.049% HA ILE 101 - HA GLU- 109 1.429% * 0.0452% (0.03 1.0 0.02 0.02) = 0.045% HA ILE 100 - HA GLU- 109 1.429% * 0.0404% (0.03 1.0 0.02 0.02) = 0.040% HA PRO 86 - HA GLU- 109 1.429% * 0.0317% (0.02 1.0 0.02 0.02) = 0.032% HA PRO 86 - HA GLU- 18 1.429% * 0.0311% (0.02 1.0 0.02 0.02) = 0.031% Not enough quality. Peak unassigned. Peak 1021 (4.26, 4.26, 56.70 ppm): 4 diagonal assignments: HA GLU- 75 - HA GLU- 75 (0.42) kept HA ARG+ 84 - HA ARG+ 84 (0.39) kept HA SER 85 - HA SER 85 (0.22) kept HA LYS+ 108 - HA LYS+ 108 (0.12) kept Peak 1032 (4.22, 4.21, 56.84 ppm): 5 diagonal assignments: HA GLU- 109 - HA GLU- 109 (0.43) kept HA GLU- 18 - HA GLU- 18 (0.12) kept HA GLU- 64 - HA GLU- 64 (0.11) kept HA LYS+ 108 - HA LYS+ 108 (0.04) kept HA LYS+ 44 - HA LYS+ 44 (0.03) kept Peak 1051 (1.99, 4.25, 56.88 ppm): 78 chemical-shift based assignments, quality = 0.49, support = 2.09, residual support = 14.3: O HB2 LYS+ 108 - HA LYS+ 108 1.282% * 69.1442% (0.65 10.0 1.00 2.67 17.62) = 69.144% kept O T HB3 GLU- 75 - HA GLU- 75 1.282% * 18.5438% (0.17 10.0 10.00 1.00 8.60) = 18.544% kept T HB VAL 73 - HA GLU- 56 1.282% * 4.1418% (0.17 1.0 10.00 0.45 0.13) = 4.142% kept T HB3 GLU- 75 - HA GLU- 56 1.282% * 3.3643% (0.11 1.0 10.00 0.60 0.02) = 3.364% kept O HB2 GLU- 18 - HA GLU- 18 1.282% * 1.9663% (0.04 10.0 1.00 1.00 26.94) = 1.966% kept T HB VAL 73 - HA GLU- 75 1.282% * 0.3051% (0.29 1.0 10.00 0.02 0.32) = 0.305% T HB VAL 73 - HA LYS+ 108 1.282% * 0.2630% (0.25 1.0 10.00 0.02 0.02) = 0.263% T HB VAL 73 - HA ARG+ 84 1.282% * 0.2488% (0.23 1.0 10.00 0.02 0.02) = 0.249% T HB VAL 73 - HA SER 85 1.282% * 0.1949% (0.18 1.0 10.00 0.02 0.02) = 0.195% T HB3 GLU- 75 - HA LYS+ 108 1.282% * 0.1599% (0.15 1.0 10.00 0.02 0.02) = 0.160% HB2 LYS+ 108 - HA GLU- 75 1.282% * 0.0802% (0.75 1.0 1.00 0.02 0.02) = 0.080% HB2 LYS+ 108 - HA ARG+ 84 1.282% * 0.0654% (0.61 1.0 1.00 0.02 0.02) = 0.065% HG2 PRO 86 - HA GLU- 75 1.282% * 0.0649% (0.61 1.0 1.00 0.02 0.02) = 0.065% HG2 PRO 86 - HA LYS+ 108 1.282% * 0.0560% (0.52 1.0 1.00 0.02 0.02) = 0.056% HB VAL 105 - HA GLU- 75 1.282% * 0.0542% (0.51 1.0 1.00 0.02 0.02) = 0.054% HG2 PRO 86 - HA ARG+ 84 1.282% * 0.0530% (0.49 1.0 1.00 0.02 0.02) = 0.053% HB2 LYS+ 108 - HA SER 85 1.282% * 0.0512% (0.48 1.0 1.00 0.02 0.02) = 0.051% HB2 LYS+ 108 - HA GLU- 56 1.282% * 0.0487% (0.46 1.0 1.00 0.02 0.02) = 0.049% HB2 GLU- 18 - HA GLU- 75 1.282% * 0.0471% (0.44 1.0 1.00 0.02 0.14) = 0.047% HB VAL 105 - HA LYS+ 108 1.282% * 0.0468% (0.44 1.0 1.00 0.02 0.02) = 0.047% HB VAL 105 - HA ARG+ 84 1.282% * 0.0442% (0.41 1.0 1.00 0.02 0.02) = 0.044% HG2 PRO 86 - HA SER 85 1.282% * 0.0415% (0.39 1.0 1.00 0.02 2.44) = 0.041% HB2 GLU- 18 - HA LYS+ 108 1.282% * 0.0406% (0.38 1.0 1.00 0.02 0.02) = 0.041% HG2 GLU- 64 - HA GLU- 75 1.282% * 0.0401% (0.37 1.0 1.00 0.02 0.02) = 0.040% HG2 PRO 86 - HA GLU- 56 1.282% * 0.0394% (0.37 1.0 1.00 0.02 0.02) = 0.039% HB2 GLU- 18 - HA ARG+ 84 1.282% * 0.0384% (0.36 1.0 1.00 0.02 0.02) = 0.038% HG3 PRO 104 - HA GLU- 75 1.282% * 0.0368% (0.34 1.0 1.00 0.02 0.02) = 0.037% HB VAL 105 - HA SER 85 1.282% * 0.0346% (0.32 1.0 1.00 0.02 0.02) = 0.035% HG2 GLU- 64 - HA LYS+ 108 1.282% * 0.0346% (0.32 1.0 1.00 0.02 0.02) = 0.035% HB VAL 105 - HA GLU- 56 1.282% * 0.0329% (0.31 1.0 1.00 0.02 0.02) = 0.033% HG2 GLU- 64 - HA ARG+ 84 1.282% * 0.0327% (0.31 1.0 1.00 0.02 0.02) = 0.033% HG3 PRO 104 - HA LYS+ 108 1.282% * 0.0317% (0.30 1.0 1.00 0.02 0.02) = 0.032% HB2 GLU- 18 - HA SER 85 1.282% * 0.0301% (0.28 1.0 1.00 0.02 0.02) = 0.030% HG3 PRO 104 - HA ARG+ 84 1.282% * 0.0300% (0.28 1.0 1.00 0.02 0.02) = 0.030% HB2 GLU- 18 - HA GLU- 56 1.282% * 0.0286% (0.27 1.0 1.00 0.02 0.02) = 0.029% HG2 PRO 116 - HA GLU- 75 1.282% * 0.0276% (0.26 1.0 1.00 0.02 0.02) = 0.028% HG2 GLU- 64 - HA SER 85 1.282% * 0.0256% (0.24 1.0 1.00 0.02 0.02) = 0.026% HB3 PRO 112 - HA GLU- 75 1.282% * 0.0249% (0.23 1.0 1.00 0.02 0.02) = 0.025% HG2 GLU- 64 - HA GLU- 56 1.282% * 0.0243% (0.23 1.0 1.00 0.02 0.68) = 0.024% HG2 PRO 116 - HA LYS+ 108 1.282% * 0.0238% (0.22 1.0 1.00 0.02 0.30) = 0.024% HG3 PRO 104 - HA SER 85 1.282% * 0.0235% (0.22 1.0 1.00 0.02 0.02) = 0.023% HG2 PRO 116 - HA ARG+ 84 1.282% * 0.0225% (0.21 1.0 1.00 0.02 0.02) = 0.023% HG3 PRO 104 - HA GLU- 56 1.282% * 0.0223% (0.21 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 112 - HA LYS+ 108 1.282% * 0.0214% (0.20 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 112 - HA ARG+ 84 1.282% * 0.0203% (0.19 1.0 1.00 0.02 0.02) = 0.020% HB2 PRO 112 - HA GLU- 75 1.282% * 0.0199% (0.19 1.0 1.00 0.02 0.02) = 0.020% HG2 PRO 116 - HA SER 85 1.282% * 0.0176% (0.16 1.0 1.00 0.02 0.02) = 0.018% HB2 PRO 112 - HA LYS+ 108 1.282% * 0.0172% (0.16 1.0 1.00 0.02 0.02) = 0.017% HG2 PRO 116 - HA GLU- 56 1.282% * 0.0168% (0.16 1.0 1.00 0.02 0.02) = 0.017% HB2 PRO 112 - HA ARG+ 84 1.282% * 0.0162% (0.15 1.0 1.00 0.02 0.02) = 0.016% HB3 PRO 112 - HA SER 85 1.282% * 0.0159% (0.15 1.0 1.00 0.02 0.02) = 0.016% T HB3 GLU- 75 - HA GLU- 18 1.282% * 0.0155% (0.01 1.0 10.00 0.02 0.14) = 0.015% HB3 GLU- 75 - HA ARG+ 84 1.282% * 0.0151% (0.14 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 112 - HA GLU- 56 1.282% * 0.0151% (0.14 1.0 1.00 0.02 0.02) = 0.015% HB2 LYS+ 44 - HA GLU- 75 1.282% * 0.0138% (0.13 1.0 1.00 0.02 0.02) = 0.014% HB3 PRO 31 - HA GLU- 75 1.282% * 0.0138% (0.13 1.0 1.00 0.02 0.02) = 0.014% HB2 PRO 112 - HA SER 85 1.282% * 0.0127% (0.12 1.0 1.00 0.02 0.02) = 0.013% HB2 PRO 112 - HA GLU- 56 1.282% * 0.0121% (0.11 1.0 1.00 0.02 0.02) = 0.012% HB3 PRO 31 - HA LYS+ 108 1.282% * 0.0119% (0.11 1.0 1.00 0.02 0.02) = 0.012% HB2 LYS+ 44 - HA LYS+ 108 1.282% * 0.0119% (0.11 1.0 1.00 0.02 0.02) = 0.012% HB3 GLU- 75 - HA SER 85 1.282% * 0.0118% (0.11 1.0 1.00 0.02 0.02) = 0.012% HB3 PRO 31 - HA ARG+ 84 1.282% * 0.0113% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB2 LYS+ 44 - HA ARG+ 84 1.282% * 0.0113% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB2 LYS+ 44 - HA SER 85 1.282% * 0.0088% (0.08 1.0 1.00 0.02 0.02) = 0.009% HB3 PRO 31 - HA SER 85 1.282% * 0.0088% (0.08 1.0 1.00 0.02 0.02) = 0.009% HB3 PRO 31 - HA GLU- 56 1.282% * 0.0084% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB2 LYS+ 44 - HA GLU- 56 1.282% * 0.0084% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB2 LYS+ 108 - HA GLU- 18 1.282% * 0.0067% (0.06 1.0 1.00 0.02 0.02) = 0.007% HG2 PRO 86 - HA GLU- 18 1.282% * 0.0054% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB VAL 105 - HA GLU- 18 1.282% * 0.0045% (0.04 1.0 1.00 0.02 0.02) = 0.005% HG2 GLU- 64 - HA GLU- 18 1.282% * 0.0034% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 104 - HA GLU- 18 1.282% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB VAL 73 - HA GLU- 18 1.282% * 0.0025% (0.02 1.0 1.00 0.02 0.02) = 0.003% HG2 PRO 116 - HA GLU- 18 1.282% * 0.0023% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 PRO 112 - HA GLU- 18 1.282% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB2 PRO 112 - HA GLU- 18 1.282% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 PRO 31 - HA GLU- 18 1.282% * 0.0012% (0.01 1.0 1.00 0.02 0.13) = 0.001% HB2 LYS+ 44 - HA GLU- 18 1.282% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1052 (1.96, 4.22, 56.81 ppm): 77 chemical-shift based assignments, quality = 0.379, support = 2.34, residual support = 10.5: O HB3 GLU- 109 - HA GLU- 109 1.299% * 78.7392% (0.46 10.0 1.00 2.62 11.63) = 78.739% kept O HB2 LYS+ 108 - HA LYS+ 108 1.299% * 6.9842% (0.04 10.0 1.00 2.67 17.62) = 6.984% kept HB3 GLU- 109 - HA LYS+ 108 1.299% * 3.7152% (0.21 1.0 1.00 2.11 2.25) = 3.715% kept T HB VAL 73 - HA LYS+ 44 1.299% * 2.0709% (0.12 1.0 10.00 0.21 0.14) = 2.071% kept T HB2 GLU- 75 - HA LYS+ 44 1.299% * 1.5004% (0.08 1.0 10.00 0.21 0.02) = 1.500% kept T HB2 GLU- 75 - HA GLU- 64 1.299% * 1.4454% (0.19 1.0 10.00 0.09 0.02) = 1.445% kept T HB VAL 73 - HA GLU- 56 1.299% * 1.4407% (0.04 1.0 10.00 0.45 0.13) = 1.441% kept HB VAL 73 - HA GLU- 109 1.299% * 0.7211% (0.33 1.0 1.00 0.25 0.02) = 0.721% T HB2 GLU- 75 - HA GLU- 109 1.299% * 0.4152% (0.24 1.0 10.00 0.02 0.02) = 0.415% T HB VAL 122 - HA LYS+ 44 1.299% * 0.2739% (0.16 1.0 10.00 0.02 0.02) = 0.274% T HB2 GLU- 75 - HA MET 126 1.299% * 0.2599% (0.15 1.0 10.00 0.02 0.02) = 0.260% T HB VAL 73 - HA LYS+ 108 1.299% * 0.2563% (0.15 1.0 10.00 0.02 0.02) = 0.256% T HB3 LYS+ 55 - HA LYS+ 44 1.299% * 0.1989% (0.12 1.0 10.00 0.02 0.02) = 0.199% T HB2 GLU- 75 - HA GLU- 18 1.299% * 0.1977% (0.12 1.0 10.00 0.02 0.14) = 0.198% HB VAL 122 - HA GLU- 109 1.299% * 0.0789% (0.46 1.0 1.00 0.02 0.02) = 0.079% HG3 PRO 116 - HA GLU- 109 1.299% * 0.0774% (0.45 1.0 1.00 0.02 0.02) = 0.077% T HB2 PRO 116 - HA LYS+ 44 1.299% * 0.0683% (0.04 1.0 10.00 0.02 0.02) = 0.068% HB VAL 122 - HA GLU- 64 1.299% * 0.0617% (0.36 1.0 1.00 0.02 0.02) = 0.062% HB3 GLU- 109 - HA GLU- 64 1.299% * 0.0616% (0.36 1.0 1.00 0.02 0.02) = 0.062% HG3 PRO 116 - HA GLU- 64 1.299% * 0.0605% (0.35 1.0 1.00 0.02 0.02) = 0.061% HG3 PRO 31 - HA GLU- 109 1.299% * 0.0603% (0.35 1.0 1.00 0.02 0.02) = 0.060% HB3 LYS+ 55 - HA GLU- 109 1.299% * 0.0573% (0.33 1.0 1.00 0.02 0.02) = 0.057% HG3 PRO 104 - HA GLU- 109 1.299% * 0.0511% (0.30 1.0 1.00 0.02 0.02) = 0.051% HB VAL 122 - HA MET 126 1.299% * 0.0494% (0.29 1.0 1.00 0.02 0.02) = 0.049% HB3 GLU- 109 - HA MET 126 1.299% * 0.0493% (0.29 1.0 1.00 0.02 0.02) = 0.049% HG3 PRO 116 - HA MET 126 1.299% * 0.0484% (0.28 1.0 1.00 0.02 0.02) = 0.048% HG3 PRO 31 - HA GLU- 64 1.299% * 0.0472% (0.28 1.0 1.00 0.02 0.02) = 0.047% HB VAL 73 - HA GLU- 64 1.299% * 0.0448% (0.26 1.0 1.00 0.02 0.02) = 0.045% HB3 LYS+ 55 - HA GLU- 64 1.299% * 0.0448% (0.26 1.0 1.00 0.02 0.02) = 0.045% HG3 PRO 104 - HA GLU- 64 1.299% * 0.0399% (0.23 1.0 1.00 0.02 0.02) = 0.040% HG3 PRO 31 - HA MET 126 1.299% * 0.0377% (0.22 1.0 1.00 0.02 0.02) = 0.038% HB VAL 122 - HA GLU- 18 1.299% * 0.0376% (0.22 1.0 1.00 0.02 0.02) = 0.038% HB3 GLU- 109 - HA GLU- 18 1.299% * 0.0375% (0.22 1.0 1.00 0.02 0.02) = 0.037% HG3 PRO 116 - HA GLU- 18 1.299% * 0.0368% (0.22 1.0 1.00 0.02 0.02) = 0.037% HB3 LYS+ 55 - HA MET 126 1.299% * 0.0359% (0.21 1.0 1.00 0.02 0.02) = 0.036% HB VAL 73 - HA MET 126 1.299% * 0.0359% (0.21 1.0 1.00 0.02 0.02) = 0.036% HB VAL 122 - HA LYS+ 108 1.299% * 0.0353% (0.21 1.0 1.00 0.02 0.02) = 0.035% HG3 PRO 116 - HA LYS+ 108 1.299% * 0.0346% (0.20 1.0 1.00 0.02 0.30) = 0.035% HG3 PRO 104 - HA MET 126 1.299% * 0.0320% (0.19 1.0 1.00 0.02 0.11) = 0.032% HG3 PRO 31 - HA GLU- 18 1.299% * 0.0287% (0.17 1.0 1.00 0.02 0.13) = 0.029% HB3 GLU- 109 - HA LYS+ 44 1.299% * 0.0273% (0.16 1.0 1.00 0.02 0.02) = 0.027% HB3 LYS+ 55 - HA GLU- 18 1.299% * 0.0273% (0.16 1.0 1.00 0.02 0.11) = 0.027% HB VAL 73 - HA GLU- 18 1.299% * 0.0273% (0.16 1.0 1.00 0.02 0.02) = 0.027% HG3 PRO 31 - HA LYS+ 108 1.299% * 0.0270% (0.16 1.0 1.00 0.02 0.02) = 0.027% HG3 PRO 116 - HA LYS+ 44 1.299% * 0.0268% (0.16 1.0 1.00 0.02 0.02) = 0.027% HB3 LYS+ 55 - HA LYS+ 108 1.299% * 0.0256% (0.15 1.0 1.00 0.02 0.02) = 0.026% HG2 PRO 112 - HA GLU- 109 1.299% * 0.0244% (0.14 1.0 1.00 0.02 0.02) = 0.024% HG3 PRO 104 - HA GLU- 18 1.299% * 0.0243% (0.14 1.0 1.00 0.02 0.02) = 0.024% HG3 PRO 104 - HA LYS+ 108 1.299% * 0.0228% (0.13 1.0 1.00 0.02 0.02) = 0.023% HG3 PRO 31 - HA LYS+ 44 1.299% * 0.0209% (0.12 1.0 1.00 0.02 0.49) = 0.021% HB2 PRO 116 - HA GLU- 109 1.299% * 0.0197% (0.11 1.0 1.00 0.02 0.02) = 0.020% HG2 PRO 112 - HA GLU- 64 1.299% * 0.0191% (0.11 1.0 1.00 0.02 0.02) = 0.019% HB2 GLU- 75 - HA LYS+ 108 1.299% * 0.0186% (0.11 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 104 - HA LYS+ 44 1.299% * 0.0177% (0.10 1.0 1.00 0.02 0.02) = 0.018% HB2 LYS+ 108 - HA GLU- 109 1.299% * 0.0156% (0.09 1.0 1.00 0.02 2.25) = 0.016% HB2 PRO 116 - HA GLU- 64 1.299% * 0.0154% (0.09 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 112 - HA MET 126 1.299% * 0.0152% (0.09 1.0 1.00 0.02 0.02) = 0.015% HB2 PRO 116 - HA MET 126 1.299% * 0.0123% (0.07 1.0 1.00 0.02 0.02) = 0.012% HB2 LYS+ 108 - HA GLU- 64 1.299% * 0.0122% (0.07 1.0 1.00 0.02 0.02) = 0.012% HG2 PRO 112 - HA GLU- 18 1.299% * 0.0116% (0.07 1.0 1.00 0.02 0.02) = 0.012% HG2 PRO 112 - HA LYS+ 108 1.299% * 0.0109% (0.06 1.0 1.00 0.02 0.02) = 0.011% HB2 LYS+ 108 - HA MET 126 1.299% * 0.0098% (0.06 1.0 1.00 0.02 0.02) = 0.010% HB2 PRO 116 - HA GLU- 18 1.299% * 0.0094% (0.05 1.0 1.00 0.02 0.02) = 0.009% HB VAL 122 - HA GLU- 56 1.299% * 0.0089% (0.05 1.0 1.00 0.02 0.02) = 0.009% HB3 GLU- 109 - HA GLU- 56 1.299% * 0.0089% (0.05 1.0 1.00 0.02 0.02) = 0.009% HB2 PRO 116 - HA LYS+ 108 1.299% * 0.0088% (0.05 1.0 1.00 0.02 0.30) = 0.009% HG3 PRO 116 - HA GLU- 56 1.299% * 0.0087% (0.05 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 112 - HA LYS+ 44 1.299% * 0.0085% (0.05 1.0 1.00 0.02 0.02) = 0.008% HB2 LYS+ 108 - HA GLU- 18 1.299% * 0.0074% (0.04 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 31 - HA GLU- 56 1.299% * 0.0068% (0.04 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 55 - HA GLU- 56 1.299% * 0.0064% (0.04 1.0 1.00 0.02 14.37) = 0.006% HG3 PRO 104 - HA GLU- 56 1.299% * 0.0057% (0.03 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 108 - HA LYS+ 44 1.299% * 0.0054% (0.03 1.0 1.00 0.02 0.02) = 0.005% HB2 GLU- 75 - HA GLU- 56 1.299% * 0.0047% (0.03 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 112 - HA GLU- 56 1.299% * 0.0027% (0.02 1.0 1.00 0.02 0.02) = 0.003% HB2 PRO 116 - HA GLU- 56 1.299% * 0.0022% (0.01 1.0 1.00 0.02 0.02) = 0.002% HB2 LYS+ 108 - HA GLU- 56 1.299% * 0.0018% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 1053 (1.40, 4.21, 56.79 ppm): 60 chemical-shift based assignments, quality = 0.116, support = 1.48, residual support = 4.53: T QG2 THR 38 - HA LYS+ 44 1.667% * 35.5424% (0.14 1.0 10.00 1.31 0.65) = 35.542% kept O T HG3 LYS+ 108 - HA LYS+ 108 1.667% * 20.3173% (0.05 10.0 10.00 2.36 17.62) = 20.317% kept T QB ALA 37 - HA LYS+ 44 1.667% * 13.5413% (0.14 1.0 10.00 0.50 0.14) = 13.541% kept HG LEU 74 - HA LYS+ 44 1.667% * 5.5840% (0.08 1.0 1.00 3.83 4.29) = 5.584% kept HG3 LYS+ 108 - HA GLU- 109 1.667% * 5.3716% (0.17 1.0 1.00 1.62 2.25) = 5.372% kept HG LEU 74 - HA MET 126 1.667% * 3.8490% (0.16 1.0 1.00 1.23 1.13) = 3.849% kept HG LEU 74 - HA GLU- 64 1.667% * 3.5136% (0.18 1.0 1.00 1.00 0.11) = 3.514% kept HG LEU 74 - HA GLU- 109 1.667% * 2.2656% (0.20 1.0 1.00 0.60 0.02) = 2.266% kept HD3 LYS+ 44 - HA LYS+ 44 1.667% * 2.2204% (0.07 1.0 1.00 1.75 10.92) = 2.220% kept HG LEU 74 - HA GLU- 18 1.667% * 1.7745% (0.09 1.0 1.00 1.00 2.48) = 1.775% kept HD3 LYS+ 20 - HA LYS+ 44 1.667% * 1.6183% (0.17 1.0 1.00 0.51 0.15) = 1.618% kept HG3 LYS+ 108 - HA MET 126 1.667% * 0.7437% (0.14 1.0 1.00 0.27 0.02) = 0.744% T QG2 THR 39 - HA LYS+ 44 1.667% * 0.2537% (0.07 1.0 10.00 0.02 0.02) = 0.254% T HG3 LYS+ 108 - HA LYS+ 44 1.667% * 0.2537% (0.07 1.0 10.00 0.02 0.02) = 0.254% HD3 LYS+ 20 - HA GLU- 109 1.667% * 0.1669% (0.43 1.0 1.00 0.02 0.02) = 0.167% HD3 LYS+ 20 - HA GLU- 64 1.667% * 0.1541% (0.40 1.0 1.00 0.02 0.02) = 0.154% QB ALA 42 - HA GLU- 109 1.667% * 0.1531% (0.40 1.0 1.00 0.02 0.02) = 0.153% T HG2 LYS+ 78 - HA LYS+ 44 1.667% * 0.1505% (0.04 1.0 10.00 0.02 0.02) = 0.151% QB ALA 42 - HA GLU- 64 1.667% * 0.1413% (0.37 1.0 1.00 0.02 0.02) = 0.141% QB ALA 37 - HA GLU- 109 1.667% * 0.1413% (0.37 1.0 1.00 0.02 0.02) = 0.141% QG2 THR 38 - HA GLU- 109 1.667% * 0.1413% (0.37 1.0 1.00 0.02 0.02) = 0.141% HD3 LYS+ 20 - HA MET 126 1.667% * 0.1368% (0.36 1.0 1.00 0.02 0.02) = 0.137% QB ALA 37 - HA GLU- 64 1.667% * 0.1304% (0.34 1.0 1.00 0.02 0.02) = 0.130% QG2 THR 38 - HA GLU- 64 1.667% * 0.1304% (0.34 1.0 1.00 0.02 0.02) = 0.130% QB ALA 42 - HA MET 126 1.667% * 0.1254% (0.33 1.0 1.00 0.02 0.02) = 0.125% QB ALA 37 - HA MET 126 1.667% * 0.1158% (0.30 1.0 1.00 0.02 0.02) = 0.116% QG2 THR 38 - HA MET 126 1.667% * 0.1158% (0.30 1.0 1.00 0.02 0.02) = 0.116% HD3 LYS+ 20 - HA GLU- 18 1.667% * 0.0775% (0.20 1.0 1.00 0.02 0.02) = 0.077% QB ALA 42 - HA GLU- 18 1.667% * 0.0710% (0.19 1.0 1.00 0.02 0.02) = 0.071% QG2 THR 39 - HA GLU- 109 1.667% * 0.0662% (0.17 1.0 1.00 0.02 0.02) = 0.066% HD3 LYS+ 44 - HA GLU- 109 1.667% * 0.0662% (0.17 1.0 1.00 0.02 0.02) = 0.066% QG2 THR 38 - HA GLU- 18 1.667% * 0.0656% (0.17 1.0 1.00 0.02 0.02) = 0.066% QB ALA 37 - HA GLU- 18 1.667% * 0.0656% (0.17 1.0 1.00 0.02 0.02) = 0.066% QG2 THR 39 - HA GLU- 64 1.667% * 0.0611% (0.16 1.0 1.00 0.02 0.02) = 0.061% HG3 LYS+ 108 - HA GLU- 64 1.667% * 0.0611% (0.16 1.0 1.00 0.02 0.02) = 0.061% HD3 LYS+ 44 - HA GLU- 64 1.667% * 0.0611% (0.16 1.0 1.00 0.02 0.02) = 0.061% QB ALA 42 - HA LYS+ 44 1.667% * 0.0586% (0.15 1.0 1.00 0.02 0.02) = 0.059% QG2 THR 39 - HA MET 126 1.667% * 0.0543% (0.14 1.0 1.00 0.02 0.02) = 0.054% HD3 LYS+ 44 - HA MET 126 1.667% * 0.0543% (0.14 1.0 1.00 0.02 0.02) = 0.054% HD3 LYS+ 20 - HA LYS+ 108 1.667% * 0.0512% (0.13 1.0 1.00 0.02 0.02) = 0.051% QB ALA 42 - HA LYS+ 108 1.667% * 0.0470% (0.12 1.0 1.00 0.02 0.02) = 0.047% QB ALA 37 - HA LYS+ 108 1.667% * 0.0433% (0.11 1.0 1.00 0.02 0.02) = 0.043% QG2 THR 38 - HA LYS+ 108 1.667% * 0.0433% (0.11 1.0 1.00 0.02 0.02) = 0.043% HG2 LYS+ 78 - HA GLU- 109 1.667% * 0.0393% (0.10 1.0 1.00 0.02 0.02) = 0.039% HG2 LYS+ 78 - HA GLU- 64 1.667% * 0.0363% (0.09 1.0 1.00 0.02 0.02) = 0.036% HG2 LYS+ 78 - HA MET 126 1.667% * 0.0322% (0.08 1.0 1.00 0.02 0.02) = 0.032% QG2 THR 39 - HA GLU- 18 1.667% * 0.0307% (0.08 1.0 1.00 0.02 0.02) = 0.031% HD3 LYS+ 44 - HA GLU- 18 1.667% * 0.0307% (0.08 1.0 1.00 0.02 0.02) = 0.031% HG3 LYS+ 108 - HA GLU- 18 1.667% * 0.0307% (0.08 1.0 1.00 0.02 0.02) = 0.031% HD3 LYS+ 113 - HA GLU- 109 1.667% * 0.0272% (0.07 1.0 1.00 0.02 0.02) = 0.027% HD3 LYS+ 113 - HA GLU- 64 1.667% * 0.0251% (0.07 1.0 1.00 0.02 0.02) = 0.025% HG LEU 74 - HA LYS+ 108 1.667% * 0.0233% (0.06 1.0 1.00 0.02 0.02) = 0.023% HD3 LYS+ 113 - HA MET 126 1.667% * 0.0223% (0.06 1.0 1.00 0.02 0.02) = 0.022% QG2 THR 39 - HA LYS+ 108 1.667% * 0.0203% (0.05 1.0 1.00 0.02 0.02) = 0.020% HD3 LYS+ 44 - HA LYS+ 108 1.667% * 0.0203% (0.05 1.0 1.00 0.02 0.02) = 0.020% HG2 LYS+ 78 - HA GLU- 18 1.667% * 0.0182% (0.05 1.0 1.00 0.02 0.02) = 0.018% HD3 LYS+ 113 - HA GLU- 18 1.667% * 0.0126% (0.03 1.0 1.00 0.02 0.92) = 0.013% HG2 LYS+ 78 - HA LYS+ 108 1.667% * 0.0121% (0.03 1.0 1.00 0.02 0.02) = 0.012% HD3 LYS+ 113 - HA LYS+ 44 1.667% * 0.0104% (0.03 1.0 1.00 0.02 0.02) = 0.010% HD3 LYS+ 113 - HA LYS+ 108 1.667% * 0.0084% (0.02 1.0 1.00 0.02 0.02) = 0.008% Peak 1054 (0.89, 4.23, 56.68 ppm): 84 chemical-shift based assignments, quality = 0.274, support = 1.4, residual support = 1.89: QG1 VAL 40 - HA GLU- 18 1.190% * 31.3046% (0.49 1.32 1.97) = 31.305% kept HG LEU 74 - HA LYS+ 44 1.190% * 16.5368% (0.09 3.83 4.29) = 16.537% kept HG LEU 74 - HA GLU- 18 1.190% * 15.8041% (0.33 1.00 2.48) = 15.804% kept QD1 LEU 67 - HA GLU- 18 1.190% * 8.6895% (0.42 0.43 0.02) = 8.689% kept HG LEU 74 - HA GLU- 75 1.190% * 3.9990% (0.04 2.00 3.20) = 3.999% kept QG2 VAL 87 - HA LYS+ 44 1.190% * 3.5000% (0.11 0.66 0.96) = 3.500% kept HG LEU 74 - HA GLU- 64 1.190% * 2.3151% (0.05 1.00 0.11) = 2.315% kept QD1 LEU 67 - HA LYS+ 44 1.190% * 2.2909% (0.12 0.41 0.21) = 2.291% kept HG LEU 74 - HA GLU- 109 1.190% * 1.8935% (0.07 0.60 0.02) = 1.894% kept QG2 VAL 105 - HA LYS+ 44 1.190% * 1.6514% (0.14 0.25 0.02) = 1.651% kept QG2 VAL 47 - HA LYS+ 44 1.190% * 1.1453% (0.15 0.16 0.02) = 1.145% kept QG1 VAL 47 - HA LYS+ 44 1.190% * 1.0090% (0.13 0.16 0.02) = 1.009% kept QG1 VAL 80 - HA GLU- 18 1.190% * 0.5929% (0.62 0.02 0.02) = 0.593% QG1 VAL 122 - HA GLU- 18 1.190% * 0.5722% (0.60 0.02 0.02) = 0.572% HG13 ILE 68 - HA LYS+ 44 1.190% * 0.5476% (0.10 0.11 0.73) = 0.548% QG2 VAL 47 - HA GLU- 18 1.190% * 0.5143% (0.54 0.02 0.02) = 0.514% QG2 VAL 125 - HA GLU- 18 1.190% * 0.4952% (0.52 0.02 0.02) = 0.495% QG2 VAL 105 - HA GLU- 18 1.190% * 0.4748% (0.49 0.02 0.02) = 0.475% QG1 VAL 47 - HA GLU- 18 1.190% * 0.4531% (0.47 0.02 0.02) = 0.453% HG13 ILE 68 - HA GLU- 75 1.190% * 0.4055% (0.05 0.18 0.02) = 0.406% QG2 VAL 87 - HA GLU- 18 1.190% * 0.3836% (0.40 0.02 0.02) = 0.384% HG13 ILE 68 - HA GLU- 18 1.190% * 0.3596% (0.37 0.02 0.02) = 0.360% QG2 VAL 122 - HA GLU- 18 1.190% * 0.3119% (0.33 0.02 0.02) = 0.312% QG1 VAL 80 - HA LYS+ 44 1.190% * 0.1627% (0.17 0.02 0.90) = 0.163% QG1 VAL 122 - HA LYS+ 44 1.190% * 0.1571% (0.16 0.02 0.02) = 0.157% QG2 ILE 100 - HA GLU- 18 1.190% * 0.1478% (0.15 0.02 0.02) = 0.148% QG2 VAL 125 - HA LYS+ 44 1.190% * 0.1359% (0.14 0.02 0.02) = 0.136% QD1 LEU 90 - HA GLU- 18 1.190% * 0.1320% (0.14 0.02 0.02) = 0.132% QG1 VAL 40 - HA LYS+ 44 1.190% * 0.1303% (0.14 0.02 0.02) = 0.130% QG1 VAL 80 - HA LYS+ 108 1.190% * 0.1299% (0.14 0.02 0.02) = 0.130% QG1 VAL 122 - HA LYS+ 108 1.190% * 0.1254% (0.13 0.02 0.02) = 0.125% QG1 VAL 80 - HA GLU- 109 1.190% * 0.1199% (0.12 0.02 0.02) = 0.120% QG1 VAL 122 - HA GLU- 109 1.190% * 0.1157% (0.12 0.02 0.02) = 0.116% QG2 VAL 47 - HA LYS+ 108 1.190% * 0.1127% (0.12 0.02 0.02) = 0.113% QG2 VAL 125 - HA LYS+ 108 1.190% * 0.1085% (0.11 0.02 0.02) = 0.108% QG2 VAL 105 - HA LYS+ 108 1.190% * 0.1040% (0.11 0.02 0.02) = 0.104% QG1 VAL 40 - HA LYS+ 108 1.190% * 0.1040% (0.11 0.02 0.02) = 0.104% QG2 VAL 47 - HA GLU- 109 1.190% * 0.1040% (0.11 0.02 0.02) = 0.104% QG2 VAL 125 - HA GLU- 109 1.190% * 0.1001% (0.10 0.02 0.02) = 0.100% QG1 VAL 47 - HA LYS+ 108 1.190% * 0.0993% (0.10 0.02 0.02) = 0.099% QG2 VAL 105 - HA GLU- 109 1.190% * 0.0960% (0.10 0.02 0.02) = 0.096% QG1 VAL 40 - HA GLU- 109 1.190% * 0.0960% (0.10 0.02 0.02) = 0.096% QG1 VAL 47 - HA GLU- 109 1.190% * 0.0916% (0.10 0.02 0.02) = 0.092% QD1 LEU 67 - HA LYS+ 108 1.190% * 0.0892% (0.09 0.02 0.02) = 0.089% QG1 VAL 80 - HA GLU- 64 1.190% * 0.0872% (0.09 0.02 0.02) = 0.087% QG2 VAL 122 - HA LYS+ 44 1.190% * 0.0856% (0.09 0.02 0.02) = 0.086% QG1 VAL 122 - HA GLU- 64 1.190% * 0.0842% (0.09 0.02 0.02) = 0.084% QG2 VAL 87 - HA LYS+ 108 1.190% * 0.0840% (0.09 0.02 0.02) = 0.084% QD1 LEU 67 - HA GLU- 109 1.190% * 0.0823% (0.09 0.02 0.02) = 0.082% HG13 ILE 68 - HA LYS+ 108 1.190% * 0.0788% (0.08 0.02 0.02) = 0.079% QG2 VAL 87 - HA GLU- 109 1.190% * 0.0776% (0.08 0.02 0.02) = 0.078% QG2 VAL 47 - HA GLU- 64 1.190% * 0.0757% (0.08 0.02 0.28) = 0.076% QG1 VAL 80 - HA GLU- 75 1.190% * 0.0752% (0.08 0.02 0.02) = 0.075% QG2 VAL 125 - HA GLU- 64 1.190% * 0.0729% (0.08 0.02 0.02) = 0.073% HG13 ILE 68 - HA GLU- 109 1.190% * 0.0727% (0.08 0.02 0.02) = 0.073% QG1 VAL 122 - HA GLU- 75 1.190% * 0.0726% (0.08 0.02 0.02) = 0.073% QG1 VAL 40 - HA GLU- 64 1.190% * 0.0699% (0.07 0.02 0.02) = 0.070% QG2 VAL 105 - HA GLU- 64 1.190% * 0.0699% (0.07 0.02 0.02) = 0.070% HG LEU 74 - HA LYS+ 108 1.190% * 0.0689% (0.07 0.02 0.02) = 0.069% QG2 VAL 122 - HA LYS+ 108 1.190% * 0.0683% (0.07 0.02 0.02) = 0.068% QG1 VAL 47 - HA GLU- 64 1.190% * 0.0667% (0.07 0.02 0.28) = 0.067% QG2 VAL 47 - HA GLU- 75 1.190% * 0.0652% (0.07 0.02 0.02) = 0.065% QG2 VAL 122 - HA GLU- 109 1.190% * 0.0631% (0.07 0.02 0.02) = 0.063% QG2 VAL 125 - HA GLU- 75 1.190% * 0.0628% (0.07 0.02 0.02) = 0.063% QG1 VAL 40 - HA GLU- 75 1.190% * 0.0602% (0.06 0.02 0.02) = 0.060% QG2 VAL 105 - HA GLU- 75 1.190% * 0.0602% (0.06 0.02 0.02) = 0.060% QD1 LEU 67 - HA GLU- 64 1.190% * 0.0599% (0.06 0.02 0.02) = 0.060% QG1 VAL 47 - HA GLU- 75 1.190% * 0.0575% (0.06 0.02 0.02) = 0.057% QG2 VAL 87 - HA GLU- 64 1.190% * 0.0564% (0.06 0.02 0.02) = 0.056% HG13 ILE 68 - HA GLU- 64 1.190% * 0.0529% (0.06 0.02 0.02) = 0.053% QD1 LEU 67 - HA GLU- 75 1.190% * 0.0517% (0.05 0.02 0.02) = 0.052% QG2 VAL 87 - HA GLU- 75 1.190% * 0.0486% (0.05 0.02 0.02) = 0.049% QG2 VAL 122 - HA GLU- 64 1.190% * 0.0459% (0.05 0.02 0.02) = 0.046% QG2 ILE 100 - HA LYS+ 44 1.190% * 0.0406% (0.04 0.02 0.02) = 0.041% QG2 VAL 122 - HA GLU- 75 1.190% * 0.0396% (0.04 0.02 0.02) = 0.040% QD1 LEU 90 - HA LYS+ 44 1.190% * 0.0362% (0.04 0.02 0.02) = 0.036% QG2 ILE 100 - HA LYS+ 108 1.190% * 0.0324% (0.03 0.02 0.02) = 0.032% QG2 ILE 100 - HA GLU- 109 1.190% * 0.0299% (0.03 0.02 0.02) = 0.030% QD1 LEU 90 - HA LYS+ 108 1.190% * 0.0289% (0.03 0.02 0.02) = 0.029% QD1 LEU 90 - HA GLU- 109 1.190% * 0.0267% (0.03 0.02 0.02) = 0.027% QG2 ILE 100 - HA GLU- 64 1.190% * 0.0218% (0.02 0.02 0.02) = 0.022% QD1 LEU 90 - HA GLU- 64 1.190% * 0.0194% (0.02 0.02 0.02) = 0.019% QG2 ILE 100 - HA GLU- 75 1.190% * 0.0188% (0.02 0.02 0.02) = 0.019% QD1 LEU 90 - HA GLU- 75 1.190% * 0.0167% (0.02 0.02 0.32) = 0.017% Peak 1056 (8.09, 3.94, 56.35 ppm): 6 chemical-shift based assignments, quality = 0.0741, support = 0.616, residual support = 0.132: HN SER 88 - HA LYS+ 44 16.667% * 62.8156% (0.06 0.85 0.14) = 62.816% kept HN GLY 26 - HA LYS+ 44 16.667% * 17.2781% (0.03 0.43 0.22) = 17.278% kept HN VAL 122 - HA LYS+ 44 16.667% * 5.4712% (0.22 0.02 0.02) = 5.471% kept HN MET 118 - HA LYS+ 44 16.667% * 4.9433% (0.04 0.10 0.02) = 4.943% kept HN CYS 121 - HA LYS+ 44 16.667% * 4.7459% (0.19 0.02 0.02) = 4.746% kept HN LYS+ 110 - HA LYS+ 44 16.667% * 4.7459% (0.19 0.02 0.02) = 4.746% kept Not enough quality. Peak unassigned. Peak 1087 (3.94, 3.94, 56.31 ppm): 1 diagonal assignment: HA LYS+ 44 - HA LYS+ 44 (0.16) kept Peak 1088 (3.71, 4.36, 56.50 ppm): 8 chemical-shift based assignments, quality = 0.169, support = 2.34, residual support = 5.33: O HD2 PRO 52 - HA TRP 51 12.500% * 72.5145% (0.11 10.0 2.74 6.78) = 72.515% kept HA ILE 48 - HA TRP 51 12.500% * 17.1397% (0.29 1.0 1.79 2.35) = 17.140% kept HA ILE 48 - HA LYS+ 60 12.500% * 6.0201% (0.67 1.0 0.27 0.02) = 6.020% kept HA LYS+ 81 - HA TRP 51 12.500% * 2.4194% (0.06 1.0 1.12 0.41) = 2.419% kept HA SER 27 - HA TRP 51 12.500% * 0.9342% (0.04 1.0 0.71 0.02) = 0.934% HD2 PRO 52 - HA LYS+ 60 12.500% * 0.8106% (0.25 1.0 0.10 0.02) = 0.811% HA LYS+ 81 - HA LYS+ 60 12.500% * 0.1004% (0.15 1.0 0.02 0.02) = 0.100% HA SER 27 - HA LYS+ 60 12.500% * 0.0610% (0.09 1.0 0.02 0.02) = 0.061% Peak 1090 (3.28, 4.35, 56.42 ppm): 6 chemical-shift based assignments, quality = 0.458, support = 0.225, residual support = 0.434: HA LEU 23 - HA LYS+ 60 16.667% * 58.2002% (0.47 0.29 0.50) = 58.200% kept HE3 LYS+ 63 - HA LYS+ 60 16.667% * 34.7367% (0.48 0.17 0.41) = 34.737% kept HD3 ARG+ 53 - HA LYS+ 60 16.667% * 4.2047% (0.48 0.02 0.02) = 4.205% kept HD3 ARG+ 53 - HA TRP 51 16.667% * 0.9655% (0.11 0.02 0.02) = 0.965% HE3 LYS+ 63 - HA TRP 51 16.667% * 0.9591% (0.11 0.02 0.02) = 0.959% HA LEU 23 - HA TRP 51 16.667% * 0.9338% (0.11 0.02 21.60) = 0.934% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1091 (2.88, 4.24, 56.44 ppm): 4 chemical-shift based assignments, quality = 0.534, support = 1.03, residual support = 1.65: HA1 GLY 58 - HA GLU- 18 25.000% * 70.5514% (0.65 0.86 1.44) = 70.551% kept HA1 GLY 58 - HA LYS+ 44 25.000% * 15.6453% (0.05 2.51 3.73) = 15.645% kept HB2 HIS+ 98 - HA GLU- 18 25.000% * 13.7068% (0.50 0.22 0.37) = 13.707% kept HB2 HIS+ 98 - HA LYS+ 44 25.000% * 0.0965% (0.04 0.02 0.02) = 0.096% Peak 1092 (2.48, 4.25, 56.44 ppm): 4 chemical-shift based assignments, quality = 0.635, support = 1.24, residual support = 1.77: HB VAL 40 - HA GLU- 18 25.000% * 65.5470% (0.67 1.45 1.97) = 65.547% kept HA1 GLY 58 - HA GLU- 18 25.000% * 33.3846% (0.58 0.86 1.44) = 33.385% kept HG3 PRO 35 - HA GLU- 18 25.000% * 0.6253% (0.47 0.02 0.02) = 0.625% HB3 LYS+ 81 - HA GLU- 18 25.000% * 0.4431% (0.33 0.02 0.02) = 0.443% Peak 1093 (1.79, 4.29, 56.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1094 (1.18, 3.94, 56.30 ppm): 6 chemical-shift based assignments, quality = 0.12, support = 1.71, residual support = 1.91: T HB ILE 68 - HA LYS+ 44 16.667% * 58.4618% (0.11 10.00 1.00 0.73) = 58.462% kept HG LEU 74 - HA LYS+ 44 16.667% * 27.2612% (0.14 1.00 3.83 4.29) = 27.261% kept HB2 LEU 74 - HA LYS+ 44 16.667% * 7.3183% (0.13 1.00 1.06 4.29) = 7.318% kept T QG2 THR 106 - HA LYS+ 44 16.667% * 6.7402% (0.12 10.00 0.11 0.02) = 6.740% kept HB3 LYS+ 66 - HA LYS+ 44 16.667% * 0.1415% (0.13 1.00 0.02 0.02) = 0.141% HG3 PRO 59 - HA LYS+ 44 16.667% * 0.0771% (0.07 1.00 0.02 0.02) = 0.077% Not enough quality. Peak unassigned. Peak 1095 (0.87, 4.34, 56.53 ppm): 13 chemical-shift based assignments, quality = 0.14, support = 0.227, residual support = 0.091: HG LEU 74 - HA LYS+ 60 7.692% * 35.0867% (0.12 0.31 0.14) = 35.087% kept QG2 VAL 105 - HA LYS+ 60 7.692% * 19.0397% (0.04 0.52 0.14) = 19.040% kept QG2 VAL 47 - HA LYS+ 60 7.692% * 14.4743% (0.20 0.08 0.02) = 14.474% kept QG2 VAL 122 - HA LYS+ 60 7.692% * 4.6780% (0.25 0.02 0.02) = 4.678% kept QG2 ILE 100 - HA LYS+ 60 7.692% * 4.3569% (0.24 0.02 0.02) = 4.357% kept QD1 LEU 90 - HA LYS+ 60 7.692% * 4.2328% (0.23 0.02 0.02) = 4.233% kept QG1 VAL 40 - HA LYS+ 60 7.692% * 3.9423% (0.21 0.02 0.02) = 3.942% kept QG2 VAL 125 - HA LYS+ 60 7.692% * 3.7793% (0.21 0.02 0.02) = 3.779% kept QG1 VAL 122 - HA LYS+ 60 7.692% * 2.8627% (0.16 0.02 0.02) = 2.863% kept HB ILE 101 - HA LYS+ 60 7.692% * 2.4832% (0.13 0.02 0.02) = 2.483% kept QG1 VAL 80 - HA LYS+ 60 7.692% * 2.1160% (0.11 0.02 0.02) = 2.116% kept HG3 LYS+ 117 - HA LYS+ 60 7.692% * 1.7714% (0.10 0.02 0.29) = 1.771% kept HG2 LYS+ 117 - HA LYS+ 60 7.692% * 1.1769% (0.06 0.02 0.29) = 1.177% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1096 (0.73, 4.25, 56.49 ppm): 7 chemical-shift based assignments, quality = 0.557, support = 1.0, residual support = 1.35: QG2 VAL 40 - HA GLU- 18 14.286% * 53.5965% (0.63 1.40 1.97) = 53.597% kept QD1 ILE 68 - HA GLU- 18 14.286% * 21.0192% (0.72 0.48 0.02) = 21.019% kept QG2 ILE 101 - HA GLU- 18 14.286% * 8.8438% (0.22 0.65 0.93) = 8.844% kept HG LEU 74 - HA GLU- 18 14.286% * 7.6471% (0.12 1.00 2.48) = 7.647% kept QG2 ILE 48 - HA GLU- 18 14.286% * 5.0784% (0.30 0.28 0.22) = 5.078% kept HG3 LYS+ 66 - HA GLU- 18 14.286% * 3.6398% (0.65 0.09 0.02) = 3.640% kept HG3 LYS+ 44 - HA GLU- 18 14.286% * 0.1752% (0.14 0.02 0.02) = 0.175% Peak 1097 (0.73, 3.93, 56.31 ppm): 7 chemical-shift based assignments, quality = 0.0281, support = 2.28, residual support = 9.71: O HG3 LYS+ 44 - HA LYS+ 44 14.286% * 82.8744% (0.03 10.0 2.04 10.92) = 82.874% kept HG LEU 74 - HA LYS+ 44 14.286% * 15.4450% (0.03 1.0 3.83 4.29) = 15.445% kept QD1 ILE 68 - HA LYS+ 44 14.286% * 0.4722% (0.16 1.0 0.02 0.73) = 0.472% QG2 VAL 40 - HA LYS+ 44 14.286% * 0.4244% (0.15 1.0 0.02 0.02) = 0.424% HG3 LYS+ 66 - HA LYS+ 44 14.286% * 0.4105% (0.14 1.0 0.02 0.02) = 0.410% QG2 ILE 48 - HA LYS+ 44 14.286% * 0.2122% (0.07 1.0 0.02 0.53) = 0.212% QG2 ILE 101 - HA LYS+ 44 14.286% * 0.1614% (0.06 1.0 0.02 0.02) = 0.161% Peak 1101 (1.85, 4.36, 56.28 ppm): 7 chemical-shift based assignments, quality = 0.515, support = 0.959, residual support = 2.09: T HB2 LYS+ 66 - HA LYS+ 60 14.286% * 47.5470% (0.53 10.00 1.15 1.57) = 47.547% kept T HB2 PRO 104 - HA LYS+ 60 14.286% * 30.4942% (0.52 10.00 0.76 0.52) = 30.494% kept T HB3 LYS+ 72 - HA LYS+ 60 14.286% * 11.8770% (0.53 10.00 0.29 0.02) = 11.877% kept HB3 PRO 59 - HA LYS+ 60 14.286% * 5.5137% (0.47 1.00 1.51 12.16) = 5.514% kept HB2 PRO 59 - HA LYS+ 60 14.286% * 4.2227% (0.36 1.00 1.50 12.16) = 4.223% kept HG3 PRO 112 - HA LYS+ 60 14.286% * 0.3260% (0.47 1.00 0.09 0.02) = 0.326% HD3 LYS+ 117 - HA LYS+ 60 14.286% * 0.0194% (0.13 1.00 0.02 0.29) = 0.019% Peak 1106 (8.97, 0.69, 14.34 ppm): 4 chemical-shift based assignments, quality = 0.33, support = 4.03, residual support = 11.6: HN MET 97 - QD1 ILE 19 25.000% * 59.5989% (0.48 3.12 7.56) = 59.599% kept HN THR 96 - QD1 ILE 19 25.000% * 30.5570% (0.11 6.75 23.07) = 30.557% kept HN ARG+ 22 - QD1 ILE 19 25.000% * 5.5212% (0.14 0.97 0.13) = 5.521% kept HN PHE 21 - QD1 ILE 19 25.000% * 4.3229% (0.08 1.40 0.24) = 4.323% kept Peak 1107 (8.86, 0.73, 14.31 ppm): 2 chemical-shift based assignments, quality = 0.853, support = 4.93, residual support = 32.3: HN ILE 68 - QD1 ILE 68 50.000% * 98.7542% (0.86 4.99 32.74) = 98.754% kept HN ASP- 36 - QD1 ILE 68 50.000% * 1.2458% (0.39 0.14 0.02) = 1.246% kept Peak 1108 (7.34, 0.69, 14.34 ppm): 7 chemical-shift based assignments, quality = 0.471, support = 4.51, residual support = 25.3: QE PHE 34 - QD1 ILE 19 14.286% * 44.6119% (0.54 4.88 25.39) = 44.612% kept QD PHE 34 - QD1 ILE 19 14.286% * 29.4978% (0.32 5.50 25.39) = 29.498% kept HZ PHE 34 - QD1 ILE 19 14.286% * 25.4970% (0.54 2.79 25.39) = 25.497% kept HZ2 TRP 51 - QD1 ILE 19 14.286% * 0.1829% (0.54 0.02 0.02) = 0.183% HN VAL 47 - QD1 ILE 19 14.286% * 0.0923% (0.27 0.02 0.02) = 0.092% HN ARG+ 84 - QD1 ILE 19 14.286% * 0.0850% (0.25 0.02 0.02) = 0.085% HE22 GLN 102 - QD1 ILE 19 14.286% * 0.0332% (0.10 0.02 0.02) = 0.033% Peak 1110 (4.99, 0.73, 14.26 ppm): 2 chemical-shift based assignments, quality = 0.693, support = 3.82, residual support = 29.2: HA ILE 68 - QD1 ILE 68 50.000% * 89.2884% (0.74 4.14 32.74) = 89.288% kept HA PHE 34 - QD1 ILE 68 50.000% * 10.7116% (0.33 1.11 0.10) = 10.712% kept Peak 1111 (4.88, 0.69, 14.32 ppm): 6 chemical-shift based assignments, quality = 0.506, support = 3.55, residual support = 23.2: HA ILE 19 - QD1 ILE 19 16.667% * 69.9775% (0.59 4.28 28.10) = 69.977% kept HA THR 96 - QD1 ILE 19 16.667% * 14.2612% (0.17 3.03 23.07) = 14.261% kept HA SER 69 - QD1 ILE 19 16.667% * 10.0957% (0.61 0.60 0.29) = 10.096% kept HA SER 69 - QD1 ILE 68 16.667% * 4.0931% (0.12 1.20 3.40) = 4.093% kept HA ILE 19 - QD1 ILE 68 16.667% * 1.5533% (0.12 0.47 5.30) = 1.553% kept HA THR 96 - QD1 ILE 68 16.667% * 0.0192% (0.03 0.02 0.02) = 0.019% Peak 1112 (4.18, 0.73, 14.30 ppm): 5 chemical-shift based assignments, quality = 0.878, support = 2.77, residual support = 6.93: T HA VAL 73 - QD1 ILE 68 20.000% * 99.5133% (0.88 10.00 2.78 6.96) = 99.513% kept T HA LYS+ 44 - QD1 ILE 68 20.000% * 0.3266% (0.29 10.00 0.02 0.73) = 0.327% HA MET 126 - QD1 ILE 68 20.000% * 0.0799% (0.71 1.00 0.02 0.02) = 0.080% HA GLU- 64 - QD1 ILE 68 20.000% * 0.0525% (0.47 1.00 0.02 0.02) = 0.052% HA ASP- 82 - QD1 ILE 68 20.000% * 0.0277% (0.25 1.00 0.02 0.02) = 0.028% Peak 1113 (2.88, 0.73, 14.31 ppm): 2 chemical-shift based assignments, quality = 0.511, support = 0.697, residual support = 1.36: T HB2 HIS+ 98 - QD1 ILE 68 50.000% * 51.4033% (0.39 10.00 0.88 2.40) = 51.403% kept T HA1 GLY 58 - QD1 ILE 68 50.000% * 48.5967% (0.64 10.00 0.50 0.25) = 48.597% kept Peak 1114 (1.67, 0.69, 14.35 ppm): 5 chemical-shift based assignments, quality = 0.401, support = 0.83, residual support = 2.57: T HD3 LYS+ 55 - QD1 ILE 19 20.000% * 89.8166% (0.42 10.00 0.75 2.06) = 89.817% kept HB3 MET 97 - QD1 ILE 19 20.000% * 9.5894% (0.21 1.00 1.63 7.56) = 9.589% kept HB3 MET 126 - QD1 ILE 19 20.000% * 0.3072% (0.54 1.00 0.02 0.02) = 0.307% HG3 ARG+ 84 - QD1 ILE 19 20.000% * 0.1901% (0.34 1.00 0.02 0.02) = 0.190% HB3 ARG+ 22 - QD1 ILE 19 20.000% * 0.0967% (0.17 1.00 0.02 0.13) = 0.097% Peak 1118 (0.91, 0.73, 14.31 ppm): 13 chemical-shift based assignments, quality = 0.704, support = 4.24, residual support = 27.6: O HG13 ILE 68 - QD1 ILE 68 7.692% * 74.4509% (0.73 10.0 4.71 32.74) = 74.451% kept HG LEU 74 - QD1 ILE 68 7.692% * 10.5134% (0.53 1.0 3.94 9.35) = 10.513% kept QD1 LEU 67 - QD1 ILE 68 7.692% * 9.3421% (0.67 1.0 2.74 19.74) = 9.342% kept QG2 VAL 73 - QD1 ILE 68 7.692% * 5.0234% (0.81 1.0 1.22 6.96) = 5.023% kept QG1 VAL 47 - QD1 ILE 68 7.692% * 0.4049% (0.60 1.0 0.13 0.02) = 0.405% QG2 VAL 87 - QD1 ILE 68 7.692% * 0.0714% (0.70 1.0 0.02 0.02) = 0.071% QG2 VAL 105 - QD1 ILE 68 7.692% * 0.0577% (0.57 1.0 0.02 0.02) = 0.058% QD1 LEU 17 - QD1 ILE 68 7.692% * 0.0366% (0.36 1.0 0.02 0.02) = 0.037% QG1 VAL 105 - QD1 ILE 68 7.692% * 0.0335% (0.33 1.0 0.02 0.02) = 0.033% QG1 VAL 80 - QD1 ILE 68 7.692% * 0.0248% (0.24 1.0 0.02 0.02) = 0.025% QG1 VAL 122 - QD1 ILE 68 7.692% * 0.0156% (0.15 1.0 0.02 0.23) = 0.016% HG12 ILE 29 - QD1 ILE 68 7.692% * 0.0138% (0.14 1.0 0.02 0.02) = 0.014% QG2 VAL 62 - QD1 ILE 68 7.692% * 0.0121% (0.12 1.0 0.02 0.02) = 0.012% Peak 1121 (0.73, 0.73, 14.30 ppm): 1 diagonal assignment: QD1 ILE 68 - QD1 ILE 68 (0.89) kept Peak 1125 (0.02, 0.69, 14.33 ppm): 1 chemical-shift based assignment, quality = 0.388, support = 4.24, residual support = 28.1: QG2 ILE 19 - QD1 ILE 19 100.000% *100.0000% (0.39 4.24 28.10) = 100.000% kept Peak 1126 (8.78, 0.39, 14.01 ppm): 4 chemical-shift based assignments, quality = 0.445, support = 1.41, residual support = 4.55: HN SER 69 - QD1 ILE 48 25.000% * 50.5071% (0.67 1.01 1.99) = 50.507% kept HN VAL 62 - QD1 ILE 48 25.000% * 31.6035% (0.17 2.44 10.85) = 31.603% kept HN PHE 34 - QD1 ILE 48 25.000% * 16.8515% (0.28 0.79 0.68) = 16.851% kept HN THR 95 - QD1 ILE 48 25.000% * 1.0380% (0.69 0.02 0.02) = 1.038% kept Peak 1127 (8.44, 4.27, 55.48 ppm): 7 chemical-shift based assignments, quality = 0.256, support = 1.28, residual support = 0.439: HN GLY 92 - HA LEU 90 14.286% * 49.0594% (0.12 2.34 0.67) = 49.059% kept HN GLU- 75 - HA LEU 90 14.286% * 25.0361% (0.37 0.39 0.32) = 25.036% kept HN LEU 74 - HA LEU 90 14.286% * 14.2408% (0.49 0.16 0.02) = 14.241% kept HN LYS+ 113 - HA LEU 90 14.286% * 8.2332% (0.30 0.15 0.33) = 8.233% kept HN ARG+ 53 - HA LEU 90 14.286% * 1.3656% (0.39 0.02 0.02) = 1.366% kept HN CYS 123 - HA LEU 90 14.286% * 1.2918% (0.37 0.02 0.02) = 1.292% kept HN GLU- 107 - HA LEU 90 14.286% * 0.7731% (0.22 0.02 0.02) = 0.773% Peak 1128 (8.29, 4.29, 55.60 ppm): 4 chemical-shift based assignments, quality = 0.329, support = 3.11, residual support = 9.76: O HN ALA 91 - HA LEU 90 25.000% * 92.3663% (0.33 10.0 3.25 10.26) = 92.366% kept HN ASN 89 - HA LEU 90 25.000% * 6.1572% (0.25 1.0 1.79 4.70) = 6.157% kept HN ASP- 28 - HA LEU 90 25.000% * 1.4403% (0.37 1.0 0.28 0.02) = 1.440% kept HN VAL 99 - HA LEU 90 25.000% * 0.0363% (0.13 1.0 0.02 0.10) = 0.036% Peak 1129 (7.41, 0.40, 14.05 ppm): 2 chemical-shift based assignments, quality = 0.437, support = 1.87, residual support = 2.77: HN THR 61 - QD1 ILE 48 50.000% * 60.8576% (0.26 2.68 4.18) = 60.858% kept HN GLU- 64 - QD1 ILE 48 50.000% * 39.1424% (0.72 0.61 0.58) = 39.142% kept Peak 1130 (7.31, 0.39, 14.04 ppm): 7 chemical-shift based assignments, quality = 0.56, support = 3.72, residual support = 53.7: HN ILE 48 - QD1 ILE 48 14.286% * 42.5050% (0.53 5.49 113.80) = 42.505% kept HN VAL 47 - QD1 ILE 48 14.286% * 30.4388% (0.62 3.37 16.99) = 30.439% kept QD PHE 34 - QD1 ILE 48 14.286% * 14.3565% (0.56 1.75 0.68) = 14.357% kept HN ARG+ 84 - QD1 ILE 48 14.286% * 8.5413% (0.65 0.91 0.64) = 8.541% kept HZ PHE 34 - QD1 ILE 48 14.286% * 2.3300% (0.22 0.74 0.68) = 2.330% kept QE PHE 34 - QD1 ILE 48 14.286% * 1.7658% (0.22 0.56 0.68) = 1.766% kept HZ2 TRP 51 - QD1 ILE 48 14.286% * 0.0627% (0.22 0.02 2.35) = 0.063% 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): 5 chemical-shift based assignments, quality = 0.545, support = 1.1, residual support = 1.56: HA2 GLY 30 - QD1 ILE 48 20.000% * 54.0564% (0.73 0.98 0.20) = 54.056% kept HA THR 61 - QD1 ILE 48 20.000% * 30.2560% (0.24 1.69 4.18) = 30.256% kept HA PRO 31 - QD1 ILE 48 20.000% * 15.1993% (0.53 0.38 1.25) = 15.199% kept HA ASN 119 - QD1 ILE 48 20.000% * 0.2585% (0.17 0.02 0.02) = 0.258% HA ASN 89 - QD1 ILE 48 20.000% * 0.2298% (0.15 0.02 0.02) = 0.230% Peak 1145 (3.87, 0.39, 14.06 ppm): 10 chemical-shift based assignments, quality = 0.344, support = 3.79, residual support = 109.3: T HA ILE 48 - QD1 ILE 48 10.000% * 96.0191% (0.34 10.00 3.94 113.80) = 96.019% kept HA VAL 125 - QD1 ILE 48 10.000% * 2.7280% (0.65 1.00 0.30 0.02) = 2.728% kept HB2 SER 85 - QD1 ILE 48 10.000% * 0.2253% (0.80 1.00 0.02 0.02) = 0.225% HA VAL 87 - QD1 ILE 48 10.000% * 0.2174% (0.77 1.00 0.02 0.02) = 0.217% HB3 SER 88 - QD1 ILE 48 10.000% * 0.1994% (0.70 1.00 0.02 0.02) = 0.199% HD2 PRO 116 - QD1 ILE 48 10.000% * 0.1669% (0.59 1.00 0.02 0.02) = 0.167% HA LYS+ 44 - QD1 ILE 48 10.000% * 0.1529% (0.54 1.00 0.02 0.53) = 0.153% HD2 PRO 86 - QD1 ILE 48 10.000% * 0.1487% (0.53 1.00 0.02 0.02) = 0.149% HD3 PRO 86 - QD1 ILE 48 10.000% * 0.1030% (0.36 1.00 0.02 0.02) = 0.103% HB3 SER 77 - QD1 ILE 48 10.000% * 0.0394% (0.14 1.00 0.02 0.02) = 0.039% Peak 1146 (3.44, 0.39, 14.04 ppm): 8 chemical-shift based assignments, quality = 0.663, support = 3.68, residual support = 26.9: T HA VAL 62 - QD1 ILE 48 12.500% * 81.7103% (0.76 10.00 3.72 10.85) = 81.710% kept T HA ILE 48 - QD1 ILE 48 12.500% * 15.8059% (0.15 10.00 3.94 113.80) = 15.806% kept HB2 SER 69 - QD1 ILE 48 12.500% * 2.2725% (0.67 1.00 0.64 1.99) = 2.273% kept HB THR 79 - QD1 ILE 48 12.500% * 0.0739% (0.69 1.00 0.02 0.02) = 0.074% HA THR 39 - QD1 ILE 48 12.500% * 0.0566% (0.53 1.00 0.02 0.02) = 0.057% HA VAL 80 - QD1 ILE 48 12.500% * 0.0500% (0.47 1.00 0.02 0.02) = 0.050% HA1 GLY 71 - QD1 ILE 48 12.500% * 0.0163% (0.15 1.00 0.02 0.02) = 0.016% HD3 PRO 31 - QD1 ILE 48 12.500% * 0.0144% (0.14 1.00 0.02 1.25) = 0.014% Peak 1147 (2.45, 4.23, 55.31 ppm): 4 chemical-shift based assignments, quality = 0.137, support = 0.582, residual support = 0.02: T HG2 GLU- 45 - HA ALA 42 25.000% * 78.6218% (0.12 10.00 0.61 0.02) = 78.622% kept HB VAL 40 - HA ALA 42 25.000% * 11.5696% (0.13 1.00 0.82 0.02) = 11.570% kept T HG3 GLU- 45 - HA ALA 42 25.000% * 5.7121% (0.27 10.00 0.02 0.02) = 5.712% kept HA1 GLY 58 - HA ALA 42 25.000% * 4.0964% (0.31 1.00 0.12 0.02) = 4.096% kept Not enough quality. Peak unassigned. Peak 1148 (2.22, 4.23, 55.31 ppm): 14 chemical-shift based assignments, quality = 0.258, support = 0.0405, residual support = 0.02: HA1 GLY 58 - HA ALA 42 7.143% * 20.2563% (0.13 0.12 0.02) = 20.256% kept HG3 MET 118 - HA ALA 42 7.143% * 9.0447% (0.35 0.02 0.02) = 9.045% kept HB3 PRO 52 - HA ALA 42 7.143% * 8.8656% (0.35 0.02 0.02) = 8.866% kept HG3 GLU- 18 - HA ALA 42 7.143% * 8.7288% (0.34 0.02 0.02) = 8.729% kept HG3 GLU- 107 - HA ALA 42 7.143% * 8.5560% (0.34 0.02 0.02) = 8.556% kept HB2 GLU- 50 - HA ALA 42 7.143% * 8.3494% (0.33 0.02 0.02) = 8.349% kept HG3 GLU- 75 - HA ALA 42 7.143% * 7.5548% (0.30 0.02 0.02) = 7.555% kept HG3 GLU- 109 - HA ALA 42 7.143% * 7.5548% (0.30 0.02 0.02) = 7.555% kept HG3 MET 126 - HA ALA 42 7.143% * 6.9122% (0.27 0.02 0.02) = 6.912% kept HG2 GLU- 56 - HA ALA 42 7.143% * 4.7586% (0.19 0.02 0.02) = 4.759% kept HG3 GLU- 54 - HA ALA 42 7.143% * 3.7184% (0.15 0.02 0.02) = 3.718% kept HB2 LYS+ 113 - HA ALA 42 7.143% * 2.5148% (0.10 0.02 0.02) = 2.515% kept HB VAL 80 - HA ALA 42 7.143% * 1.7899% (0.07 0.02 0.02) = 1.790% kept HG2 MET 126 - HA ALA 42 7.143% * 1.3956% (0.05 0.02 0.02) = 1.396% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1149 (2.05, 0.39, 14.06 ppm): 13 chemical-shift based assignments, quality = 0.691, support = 1.71, residual support = 9.06: HB VAL 62 - QD1 ILE 48 7.692% * 82.5396% (0.78 1.98 10.85) = 82.540% kept HB3 PRO 31 - QD1 ILE 48 7.692% * 8.8513% (0.23 0.74 1.25) = 8.851% kept HB3 GLU- 75 - QD1 ILE 48 7.692% * 4.2802% (0.56 0.14 0.02) = 4.280% kept HB2 GLU- 45 - QD1 ILE 48 7.692% * 0.8452% (0.80 0.02 0.02) = 0.845% HG3 PRO 86 - QD1 ILE 48 7.692% * 0.8321% (0.78 0.02 0.02) = 0.832% HB3 LYS+ 110 - QD1 ILE 48 7.692% * 0.6904% (0.65 0.02 0.02) = 0.690% HB3 GLU- 107 - QD1 ILE 48 7.692% * 0.5578% (0.53 0.02 0.02) = 0.558% HB3 GLU- 45 - QD1 ILE 48 7.692% * 0.4197% (0.40 0.02 0.02) = 0.420% HG3 ARG+ 53 - QD1 ILE 48 7.692% * 0.3236% (0.30 0.02 0.02) = 0.324% HB2 LYS+ 44 - QD1 ILE 48 7.692% * 0.2397% (0.23 0.02 0.53) = 0.240% HB2 PRO 112 - QD1 ILE 48 7.692% * 0.1706% (0.16 0.02 0.02) = 0.171% HB3 PRO 112 - QD1 ILE 48 7.692% * 0.1330% (0.13 0.02 0.02) = 0.133% HG2 PRO 116 - QD1 ILE 48 7.692% * 0.1167% (0.11 0.02 0.02) = 0.117% Peak 1150 (1.96, 4.28, 55.61 ppm): 11 chemical-shift based assignments, quality = 0.21, support = 0.263, residual support = 0.535: HB2 GLU- 75 - HA LEU 90 9.091% * 34.1225% (0.17 1.00 0.52 0.32) = 34.123% kept HG3 PRO 116 - HA LEU 90 9.091% * 25.9124% (0.29 1.00 0.23 1.26) = 25.912% kept T HB VAL 73 - HA LEU 90 9.091% * 15.9594% (0.20 10.00 0.02 0.02) = 15.959% kept HG3 PRO 31 - HA LEU 90 9.091% * 7.7315% (0.24 1.00 0.08 0.02) = 7.731% kept HB2 PRO 116 - HA LEU 90 9.091% * 7.2689% (0.08 1.00 0.23 1.26) = 7.269% kept HB VAL 122 - HA LEU 90 9.091% * 2.3182% (0.29 1.00 0.02 0.02) = 2.318% kept HB3 GLU- 109 - HA LEU 90 9.091% * 2.3028% (0.29 1.00 0.02 0.02) = 2.303% kept HB3 LYS+ 55 - HA LEU 90 9.091% * 1.7756% (0.23 1.00 0.02 0.02) = 1.776% kept HG3 PRO 104 - HA LEU 90 9.091% * 1.4092% (0.18 1.00 0.02 0.02) = 1.409% kept HG2 PRO 112 - HA LEU 90 9.091% * 0.7925% (0.10 1.00 0.02 0.02) = 0.793% HB2 LYS+ 108 - HA LEU 90 9.091% * 0.4069% (0.05 1.00 0.02 0.02) = 0.407% Peak 1151 (1.74, 0.39, 14.04 ppm): 4 chemical-shift based assignments, quality = 0.417, support = 5.86, residual support = 110.2: O T HB ILE 48 - QD1 ILE 48 25.000% * 96.7670% (0.41 10.0 10.00 6.04 113.80) = 96.767% kept HB3 GLU- 50 - QD1 ILE 48 25.000% * 3.0745% (0.73 1.0 1.00 0.35 1.18) = 3.074% kept HB VAL 94 - QD1 ILE 48 25.000% * 0.0895% (0.38 1.0 1.00 0.02 0.02) = 0.090% HB2 ARG+ 84 - QD1 ILE 48 25.000% * 0.0690% (0.29 1.0 1.00 0.02 0.64) = 0.069% Peak 1152 (1.59, 4.29, 55.42 ppm): 9 chemical-shift based assignments, quality = 0.425, support = 0.971, residual support = 1.86: T HG LEU 17 - HA LEU 90 11.111% * 78.5479% (0.42 10.00 0.93 2.00) = 78.548% kept HB3 LEU 17 - HA LEU 90 11.111% * 14.0110% (0.46 1.00 1.54 2.00) = 14.011% kept HD3 LYS+ 32 - HA LEU 90 11.111% * 3.8070% (0.56 1.00 0.34 0.17) = 3.807% kept HG3 LYS+ 110 - HA LEU 90 11.111% * 2.6491% (0.32 1.00 0.41 0.02) = 2.649% kept HB3 LYS+ 32 - HA LEU 90 11.111% * 0.3458% (0.86 1.00 0.02 0.17) = 0.346% HG3 LYS+ 60 - HA LEU 90 11.111% * 0.1962% (0.49 1.00 0.02 0.02) = 0.196% HB ILE 19 - HA LEU 90 11.111% * 0.1823% (0.46 1.00 0.02 0.02) = 0.182% HD3 LYS+ 60 - HA LEU 90 11.111% * 0.1425% (0.36 1.00 0.02 0.02) = 0.142% HG2 LYS+ 110 - HA LEU 90 11.111% * 0.1182% (0.30 1.00 0.02 0.02) = 0.118% Peak 1153 (1.47, 0.39, 14.05 ppm): 4 chemical-shift based assignments, quality = 0.724, support = 2.81, residual support = 8.73: HB3 LEU 67 - QD1 ILE 48 25.000% * 85.0731% (0.80 3.07 9.52) = 85.073% kept HG LEU 74 - QD1 ILE 48 25.000% * 12.0991% (0.22 1.59 5.19) = 12.099% kept QB ALA 70 - QD1 ILE 48 25.000% * 2.7306% (0.46 0.17 0.02) = 2.731% kept HG LEU 90 - QD1 ILE 48 25.000% * 0.0973% (0.14 0.02 0.02) = 0.097% Peak 1154 (1.14, 0.40, 14.02 ppm): 7 chemical-shift based assignments, quality = 0.619, support = 1.53, residual support = 3.01: HG LEU 74 - QD1 ILE 48 14.286% * 37.9648% (0.70 1.59 5.19) = 37.965% kept QB ALA 33 - QD1 ILE 48 14.286% * 31.0917% (0.58 1.56 1.32) = 31.092% kept HG3 LYS+ 32 - QD1 ILE 48 14.286% * 29.4977% (0.58 1.48 2.15) = 29.498% kept HG3 PRO 59 - QD1 ILE 48 14.286% * 0.8624% (0.29 0.09 0.02) = 0.862% HD3 LYS+ 111 - QD1 ILE 48 14.286% * 0.3468% (0.51 0.02 0.02) = 0.347% QG2 THR 96 - QD1 ILE 48 14.286% * 0.1629% (0.24 0.02 0.02) = 0.163% QG2 THR 106 - QD1 ILE 48 14.286% * 0.0737% (0.11 0.02 0.02) = 0.074% Peak 1155 (0.95, 0.40, 14.04 ppm): 9 chemical-shift based assignments, quality = 0.689, support = 2.1, residual support = 6.02: QG2 VAL 62 - QD1 ILE 48 11.111% * 33.5723% (0.69 3.31 10.85) = 33.572% kept HG12 ILE 29 - QD1 ILE 48 11.111% * 19.5449% (0.67 2.00 4.65) = 19.545% kept QG2 ILE 29 - QD1 ILE 48 11.111% * 16.9051% (0.74 1.57 4.65) = 16.905% kept HG LEU 74 - QD1 ILE 48 11.111% * 13.1918% (0.57 1.59 5.19) = 13.192% kept HG3 LYS+ 63 - QD1 ILE 48 11.111% * 10.0543% (0.78 0.88 0.02) = 10.054% kept HG12 ILE 68 - QD1 ILE 48 11.111% * 6.2654% (0.74 0.58 0.02) = 6.265% kept QG2 VAL 99 - QD1 ILE 48 11.111% * 0.2293% (0.78 0.02 0.02) = 0.229% QG1 VAL 105 - QD1 ILE 48 11.111% * 0.1231% (0.42 0.02 0.02) = 0.123% QD1 LEU 17 - QD1 ILE 48 11.111% * 0.1139% (0.39 0.02 0.02) = 0.114% Peak 1157 (0.84, 4.28, 55.45 ppm): 13 chemical-shift based assignments, quality = 0.446, support = 1.35, residual support = 2.44: T HG2 LYS+ 117 - HA LEU 90 7.692% * 32.6988% (0.59 10.00 1.56 1.26) = 32.699% kept T HG3 LYS+ 117 - HA LEU 90 7.692% * 19.1759% (0.48 10.00 1.13 1.26) = 19.176% kept T QD2 LEU 17 - HA LEU 90 7.692% * 18.1275% (0.36 10.00 1.42 2.00) = 18.127% kept T QD2 LEU 90 - HA LEU 90 7.692% * 17.1201% (0.28 10.00 1.74 7.78) = 17.120% kept T QG1 VAL 94 - HA LEU 90 7.692% * 6.8263% (0.53 10.00 0.36 0.02) = 6.826% kept T HG LEU 74 - HA LEU 90 7.692% * 4.5426% (0.28 10.00 0.45 0.02) = 4.543% kept QD1 LEU 90 - HA LEU 90 7.692% * 1.1570% (0.13 1.00 2.52 7.78) = 1.157% kept HG2 LYS+ 113 - HA LEU 90 7.692% * 0.2253% (0.59 1.00 0.11 0.33) = 0.225% QD1 ILE 29 - HA LEU 90 7.692% * 0.0520% (0.73 1.00 0.02 0.02) = 0.052% HG3 LYS+ 113 - HA LEU 90 7.692% * 0.0318% (0.45 1.00 0.02 0.33) = 0.032% HB ILE 101 - HA LEU 90 7.692% * 0.0255% (0.36 1.00 0.02 0.02) = 0.026% QD2 LEU 67 - HA LEU 90 7.692% * 0.0092% (0.13 1.00 0.02 0.02) = 0.009% QG2 ILE 100 - HA LEU 90 7.692% * 0.0081% (0.11 1.00 0.02 0.02) = 0.008% Peak 1158 (0.71, 0.39, 14.05 ppm): 11 chemical-shift based assignments, quality = 0.698, support = 5.08, residual support = 91.0: QG2 ILE 48 - QD1 ILE 48 9.091% * 79.2093% (0.78 6.17 113.80) = 79.209% kept QD1 ILE 68 - QD1 ILE 48 9.091% * 7.3718% (0.48 0.93 0.02) = 7.372% kept HG LEU 67 - QD1 ILE 48 9.091% * 7.0647% (0.48 0.89 9.52) = 7.065% kept HG LEU 74 - QD1 ILE 48 9.091% * 3.0743% (0.12 1.59 5.19) = 3.074% kept HG3 LYS+ 66 - QD1 ILE 48 9.091% * 1.9469% (0.22 0.53 0.02) = 1.947% kept HG2 PRO 59 - QD1 ILE 48 9.091% * 0.7445% (0.52 0.09 0.02) = 0.745% QG2 ILE 101 - QD1 ILE 48 9.091% * 0.2419% (0.74 0.02 0.02) = 0.242% QG2 VAL 40 - QD1 ILE 48 9.091% * 0.2188% (0.67 0.02 0.02) = 0.219% QD1 ILE 19 - QD1 ILE 48 9.091% * 0.0519% (0.16 0.02 0.02) = 0.052% QG2 VAL 94 - QD1 ILE 48 9.091% * 0.0404% (0.12 0.02 0.02) = 0.040% HG12 ILE 19 - QD1 ILE 48 9.091% * 0.0355% (0.11 0.02 0.02) = 0.035% Peak 1160 (0.39, 0.39, 14.04 ppm): 1 diagonal assignment: QD1 ILE 48 - QD1 ILE 48 (0.76) kept Peak 1163 (7.74, 4.23, 55.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1164 (6.79, 4.29, 55.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1174 (6.12, 4.39, 54.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1180 (4.47, 0.80, 12.73 ppm): 9 chemical-shift based assignments, quality = 0.54, support = 1.28, residual support = 11.5: HA ILE 100 - QD1 ILE 100 11.111% * 46.5485% (0.61 1.65 17.03) = 46.549% kept HA ILE 101 - QD1 ILE 100 11.111% * 31.5744% (0.59 1.17 9.19) = 31.574% kept HA VAL 99 - QD1 ILE 100 11.111% * 13.4919% (0.31 0.93 4.96) = 13.492% kept HA GLU- 50 - QD1 ILE 100 11.111% * 6.2624% (0.43 0.31 0.02) = 6.262% kept HA LYS+ 32 - QD1 ILE 100 11.111% * 0.6510% (0.71 0.02 0.02) = 0.651% HA PRO 86 - QD1 ILE 100 11.111% * 0.6118% (0.66 0.02 0.02) = 0.612% HA ASN 76 - QD1 ILE 100 11.111% * 0.3993% (0.43 0.02 0.02) = 0.399% HA CYS 123 - QD1 ILE 100 11.111% * 0.2647% (0.29 0.02 0.02) = 0.265% HA SER 77 - QD1 ILE 100 11.111% * 0.1961% (0.21 0.02 0.02) = 0.196% Peak 1196 (0.81, 0.80, 12.76 ppm): 1 diagonal assignment: QD1 ILE 100 - QD1 ILE 100 (0.57) kept Peak 1199 (0.65, 0.81, 12.77 ppm): 1 chemical-shift based assignment, quality = 0.33, support = 0.111, residual support = 0.111: QG1 VAL 62 - QD1 ILE 100 100.000% *100.0000% (0.33 0.11 0.11) = 100.000% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1230 (9.51, 4.09, 53.22 ppm): 2 chemical-shift based assignments, quality = 0.254, support = 2.0, residual support = 11.5: O HN ALA 70 - HA ALA 70 50.000% * 99.8372% (0.25 10.0 2.00 11.51) = 99.837% kept HE1 TRP 51 - HA ALA 70 50.000% * 0.1628% (0.42 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 = 0.366, support = 2.91, residual support = 15.8: O HN GLY 71 - HA ALA 70 33.333% * 99.0794% (0.37 10.0 2.94 15.95) = 99.079% kept HN LYS+ 108 - HA ALA 70 33.333% * 0.8970% (0.19 1.0 0.34 0.02) = 0.897% HN ALA 103 - HA ALA 70 33.333% * 0.0236% (0.09 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 (0.63) kept Peak 1237 (1.49, 4.09, 53.26 ppm): 6 chemical-shift based assignments, quality = 0.563, support = 2.0, residual support = 11.5: O T QB ALA 70 - HA ALA 70 16.667% * 99.7893% (0.56 10.0 10.00 2.00 11.51) = 99.789% kept HD3 LYS+ 108 - HA ALA 70 16.667% * 0.0585% (0.33 1.0 1.00 0.02 0.02) = 0.059% HB2 LYS+ 72 - HA ALA 70 16.667% * 0.0464% (0.26 1.0 1.00 0.02 1.45) = 0.046% HB3 LEU 67 - HA ALA 70 16.667% * 0.0464% (0.26 1.0 1.00 0.02 0.02) = 0.046% HG3 LYS+ 72 - HA ALA 70 16.667% * 0.0353% (0.20 1.0 1.00 0.02 1.45) = 0.035% HG LEU 74 - HA ALA 70 16.667% * 0.0242% (0.14 1.0 1.00 0.02 0.02) = 0.024% Peak 1238 (1.37, 4.23, 53.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1239 (8.25, 4.24, 52.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1240 (4.32, 4.31, 52.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1241 (4.25, 4.24, 52.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1245 (4.08, 4.25, 53.15 ppm): 6 chemical-shift based assignments, quality = 0.137, support = 0.02, residual support = 0.02: HA LYS+ 63 - HA ALA 91 16.667% * 29.5340% (0.19 0.02 0.02) = 29.534% kept HA LYS+ 44 - HA ALA 91 16.667% * 23.1882% (0.15 0.02 0.02) = 23.188% kept HB2 SER 49 - HA ALA 91 16.667% * 18.2751% (0.12 0.02 0.02) = 18.275% kept HA ALA 70 - HA ALA 91 16.667% * 15.8524% (0.10 0.02 0.02) = 15.852% kept HA VAL 105 - HA ALA 91 16.667% * 6.7081% (0.04 0.02 0.02) = 6.708% kept HB3 SER 77 - HA ALA 91 16.667% * 6.4421% (0.04 0.02 0.02) = 6.442% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1246 (3.95, 4.26, 53.19 ppm): 9 chemical-shift based assignments, quality = 0.268, support = 0.524, residual support = 1.19: HA ALA 93 - HA ALA 91 11.111% * 84.0778% (0.27 0.62 1.41) = 84.078% kept HA1 GLY 114 - HA ALA 91 11.111% * 3.4775% (0.35 0.02 0.02) = 3.477% kept HA LYS+ 44 - HA ALA 91 11.111% * 3.4112% (0.34 0.02 0.02) = 3.411% kept HB3 SER 77 - HA ALA 91 11.111% * 3.1511% (0.31 0.02 0.02) = 3.151% kept HA VAL 122 - HA ALA 91 11.111% * 1.8665% (0.19 0.02 0.02) = 1.867% kept HB3 CYS 121 - HA ALA 91 11.111% * 1.4585% (0.15 0.02 0.02) = 1.459% kept HA LEU 74 - HA ALA 91 11.111% * 1.0950% (0.11 0.02 0.02) = 1.095% kept HB THR 96 - HA ALA 91 11.111% * 0.8846% (0.09 0.02 0.02) = 0.885% HA ILE 48 - HA ALA 91 11.111% * 0.5779% (0.06 0.02 0.02) = 0.578% Peak 1247 (1.39, 4.32, 52.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1258 (1.43, 4.38, 52.52 ppm): 10 chemical-shift based assignments, quality = 0.165, support = 1.76, residual support = 9.83: O T QB ALA 37 - HA ALA 37 10.000% * 83.2523% (0.16 10.0 10.00 1.90 11.08) = 83.252% kept QG2 THR 38 - HA ALA 37 10.000% * 8.4731% (0.16 1.0 1.00 2.04 7.05) = 8.473% kept T HG3 LYS+ 108 - HA ALA 37 10.000% * 6.3403% (0.27 1.0 10.00 0.09 0.02) = 6.340% kept HG LEU 74 - HA ALA 37 10.000% * 1.2131% (0.10 1.0 1.00 0.45 0.36) = 1.213% kept HD3 LYS+ 113 - HA ALA 37 10.000% * 0.1441% (0.28 1.0 1.00 0.02 0.02) = 0.144% HG3 LYS+ 55 - HA ALA 37 10.000% * 0.1419% (0.27 1.0 1.00 0.02 0.02) = 0.142% HD3 LYS+ 44 - HA ALA 37 10.000% * 0.1391% (0.27 1.0 1.00 0.02 0.14) = 0.139% HB3 LYS+ 60 - HA ALA 37 10.000% * 0.1177% (0.23 1.0 1.00 0.02 0.02) = 0.118% HG LEU 90 - HA ALA 37 10.000% * 0.1068% (0.20 1.0 1.00 0.02 0.02) = 0.107% QB ALA 42 - HA ALA 37 10.000% * 0.0716% (0.14 1.0 1.00 0.02 0.02) = 0.072% Peak 1259 (1.11, 4.38, 52.53 ppm): 8 chemical-shift based assignments, quality = 0.289, support = 0.395, residual support = 0.314: HG LEU 74 - HA ALA 37 12.500% * 86.7429% (0.30 0.45 0.36) = 86.743% kept QG2 THR 61 - HA ALA 37 12.500% * 3.8176% (0.30 0.02 0.02) = 3.818% kept QG2 THR 96 - HA ALA 37 12.500% * 2.7969% (0.22 0.02 0.02) = 2.797% kept QG2 THR 79 - HA ALA 37 12.500% * 2.6457% (0.21 0.02 0.02) = 2.646% kept HD3 LYS+ 111 - HA ALA 37 12.500% * 1.3138% (0.10 0.02 0.02) = 1.314% kept QB ALA 33 - HA ALA 37 12.500% * 0.9604% (0.08 0.02 0.02) = 0.960% HG3 LYS+ 32 - HA ALA 37 12.500% * 0.9604% (0.08 0.02 0.02) = 0.960% QG2 THR 95 - HA ALA 37 12.500% * 0.7622% (0.06 0.02 0.02) = 0.762% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 1261 (6.74, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.16, support = 0.228, residual support = 0.847: HZ3 TRP 51 - QD1 ILE 101 50.000% * 91.5228% (0.16 0.25 0.92) = 91.523% kept QE TYR 83 - QD1 ILE 101 50.000% * 8.4772% (0.18 0.02 0.02) = 8.477% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1262 (4.94, 0.55, 10.95 ppm): 3 chemical-shift based assignments, quality = 0.12, support = 1.32, residual support = 16.0: HA GLN 102 - QD1 ILE 101 33.333% * 79.8354% (0.11 1.62 20.00) = 79.835% kept HA HIS+ 98 - QD1 ILE 101 33.333% * 11.7507% (0.16 0.17 0.02) = 11.751% kept HA ALA 33 - QD1 ILE 101 33.333% * 8.4139% (0.11 0.17 0.13) = 8.414% kept Peak 1268 (4.21, 0.55, 10.94 ppm): 11 chemical-shift based assignments, quality = 0.171, support = 0.264, residual support = 0.305: HA GLU- 18 - QD1 ILE 101 9.091% * 31.4628% (0.14 1.00 0.49 0.93) = 31.463% kept T HA LYS+ 110 - QD1 ILE 101 9.091% * 23.9180% (0.26 10.00 0.02 0.02) = 23.918% kept HA GLU- 54 - QD1 ILE 101 9.091% * 19.2218% (0.11 1.00 0.39 0.02) = 19.222% kept HA SER 49 - QD1 ILE 101 9.091% * 12.6084% (0.13 1.00 0.21 0.02) = 12.608% kept HA GLU- 109 - QD1 ILE 101 9.091% * 2.8068% (0.30 1.00 0.02 0.02) = 2.807% kept HB3 SER 49 - QD1 ILE 101 9.091% * 2.4839% (0.27 1.00 0.02 0.02) = 2.484% kept HA ALA 42 - QD1 ILE 101 9.091% * 2.2929% (0.25 1.00 0.02 0.02) = 2.293% kept HA ASP- 82 - QD1 ILE 101 9.091% * 2.2929% (0.25 1.00 0.02 0.02) = 2.293% kept HA GLU- 64 - QD1 ILE 101 9.091% * 1.5066% (0.16 1.00 0.02 0.02) = 1.507% kept HA MET 126 - QD1 ILE 101 9.091% * 0.7962% (0.09 1.00 0.02 0.02) = 0.796% HA LYS+ 44 - QD1 ILE 101 9.091% * 0.6098% (0.07 1.00 0.02 0.02) = 0.610% Not enough quality. Peak unassigned. Peak 1271 (2.07, 0.55, 10.97 ppm): 12 chemical-shift based assignments, quality = 0.307, support = 1.25, residual support = 1.84: HB3 GLU- 75 - QD1 ILE 101 8.333% * 56.7100% (0.34 1.93 3.18) = 56.710% kept HG3 ARG+ 53 - QD1 ILE 101 8.333% * 16.1062% (0.38 0.49 0.21) = 16.106% kept HB3 LYS+ 120 - QD1 ILE 101 8.333% * 8.1035% (0.33 0.28 0.02) = 8.104% kept HD3 LYS+ 110 - QD1 ILE 101 8.333% * 6.0590% (0.18 0.38 0.02) = 6.059% kept HB2 GLU- 45 - QD1 ILE 101 8.333% * 4.3712% (0.17 0.30 0.02) = 4.371% kept HB2 LEU 43 - QD1 ILE 101 8.333% * 3.8305% (0.13 0.34 0.02) = 3.831% kept HB2 LYS+ 110 - QD1 ILE 101 8.333% * 3.1433% (0.15 0.23 0.02) = 3.143% kept HA1 GLY 58 - QD1 ILE 101 8.333% * 1.0913% (0.06 0.22 0.02) = 1.091% kept HB VAL 125 - QD1 ILE 101 8.333% * 0.2030% (0.12 0.02 0.02) = 0.203% HB VAL 62 - QD1 ILE 101 8.333% * 0.1465% (0.08 0.02 0.02) = 0.146% HG3 PRO 86 - QD1 ILE 101 8.333% * 0.1465% (0.08 0.02 0.02) = 0.146% HB VAL 87 - QD1 ILE 101 8.333% * 0.0890% (0.05 0.02 0.02) = 0.089% Peak 1272 (1.63, 0.55, 10.95 ppm): 12 chemical-shift based assignments, quality = 0.31, support = 1.65, residual support = 25.4: O T HG12 ILE 101 - QD1 ILE 101 8.333% * 92.4445% (0.31 10.0 10.00 1.71 26.87) = 92.445% kept HB ILE 100 - QD1 ILE 101 8.333% * 5.7441% (0.31 1.0 1.00 1.24 9.19) = 5.744% kept T HG3 ARG+ 84 - QD1 ILE 101 8.333% * 1.3722% (0.07 1.0 10.00 0.13 0.02) = 1.372% kept HG LEU 23 - QD1 ILE 101 8.333% * 0.0958% (0.33 1.0 1.00 0.02 0.56) = 0.096% HB2 LEU 67 - QD1 ILE 101 8.333% * 0.0924% (0.31 1.0 1.00 0.02 0.02) = 0.092% HG3 LYS+ 78 - QD1 ILE 101 8.333% * 0.0671% (0.23 1.0 1.00 0.02 0.02) = 0.067% HB3 ARG+ 22 - QD1 ILE 101 8.333% * 0.0476% (0.16 1.0 1.00 0.02 0.02) = 0.048% HB3 MET 97 - QD1 ILE 101 8.333% * 0.0402% (0.14 1.0 1.00 0.02 0.02) = 0.040% HG2 LYS+ 110 - QD1 ILE 101 8.333% * 0.0333% (0.11 1.0 1.00 0.02 0.02) = 0.033% HG3 LYS+ 110 - QD1 ILE 101 8.333% * 0.0302% (0.10 1.0 1.00 0.02 0.02) = 0.030% HB3 LEU 17 - QD1 ILE 101 8.333% * 0.0193% (0.07 1.0 1.00 0.02 0.02) = 0.019% HD3 LYS+ 32 - QD1 ILE 101 8.333% * 0.0132% (0.05 1.0 1.00 0.02 0.02) = 0.013% Peak 1273 (1.27, 0.55, 10.96 ppm): 5 chemical-shift based assignments, quality = 0.286, support = 2.34, residual support = 12.7: T HG LEU 74 - QD1 ILE 101 20.000% * 95.5076% (0.29 10.00 2.42 12.86) = 95.508% kept HB3 LEU 74 - QD1 ILE 101 20.000% * 3.5336% (0.24 1.00 0.91 12.86) = 3.534% kept HG2 LYS+ 32 - QD1 ILE 101 20.000% * 0.9031% (0.37 1.00 0.15 0.02) = 0.903% HB2 LYS+ 55 - QD1 ILE 101 20.000% * 0.0371% (0.11 1.00 0.02 0.02) = 0.037% QG2 THR 46 - QD1 ILE 101 20.000% * 0.0186% (0.06 1.00 0.02 0.02) = 0.019% Peak 1274 (1.00, 0.55, 10.95 ppm): 3 chemical-shift based assignments, quality = 0.272, support = 2.13, residual support = 11.3: T HG LEU 74 - QD1 ILE 101 33.333% * 85.8329% (0.27 10.00 2.42 12.86) = 85.833% kept T QG1 VAL 99 - QD1 ILE 101 33.333% * 11.1967% (0.27 10.00 0.26 0.02) = 11.197% kept HG13 ILE 100 - QD1 ILE 101 33.333% * 2.9704% (0.20 1.00 0.96 9.19) = 2.970% kept Peak 1275 (0.72, 0.55, 10.95 ppm): 8 chemical-shift based assignments, quality = 0.204, support = 1.67, residual support = 18.6: QG2 ILE 101 - QD1 ILE 101 12.500% * 61.3699% (0.25 2.02 26.87) = 61.370% kept HG LEU 74 - QD1 ILE 101 12.500% * 14.8536% (0.05 2.42 12.86) = 14.854% kept QD1 ILE 68 - QD1 ILE 101 12.500% * 12.6509% (0.26 0.40 0.12) = 12.651% kept HG3 LYS+ 66 - QD1 ILE 101 12.500% * 5.1665% (0.14 0.29 4.12) = 5.166% kept HG LEU 67 - QD1 ILE 101 12.500% * 2.7652% (0.13 0.17 0.02) = 2.765% kept HG2 PRO 59 - QD1 ILE 101 12.500% * 1.7351% (0.14 0.10 0.48) = 1.735% kept QG2 VAL 40 - QD1 ILE 101 12.500% * 0.7683% (0.31 0.02 0.02) = 0.768% QG2 ILE 48 - QD1 ILE 101 12.500% * 0.6905% (0.28 0.02 0.02) = 0.691% Peak 1276 (0.55, 0.55, 10.95 ppm): 1 diagonal assignment: QD1 ILE 101 - QD1 ILE 101 (0.33) 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1283 (4.85, 3.88, 51.10 ppm): 9 chemical-shift based assignments, quality = 0.478, support = 0.993, residual support = 0.968: HA THR 96 - HD2 PRO 116 11.111% * 40.9624% (0.85 0.62 0.90) = 40.962% kept HA THR 96 - HD2 PRO 86 11.111% * 26.2403% (0.23 1.51 1.50) = 26.240% kept HA ILE 19 - HD2 PRO 116 11.111% * 19.9194% (0.29 0.88 0.22) = 19.919% kept HA THR 96 - HD3 PRO 86 11.111% * 10.8509% (0.09 1.48 1.50) = 10.851% kept HA ILE 19 - HD2 PRO 86 11.111% * 1.6573% (0.08 0.28 0.02) = 1.657% kept HA SER 69 - HD2 PRO 116 11.111% * 0.2320% (0.15 0.02 0.02) = 0.232% HA SER 69 - HD2 PRO 86 11.111% * 0.0614% (0.04 0.02 0.02) = 0.061% HA ILE 19 - HD3 PRO 86 11.111% * 0.0503% (0.03 0.02 0.02) = 0.050% HA SER 69 - HD3 PRO 86 11.111% * 0.0258% (0.02 0.02 0.02) = 0.026% Peak 1285 (3.86, 3.88, 51.10 ppm): 3 diagonal assignments: HD2 PRO 116 - HD2 PRO 116 (0.33) kept HD2 PRO 86 - HD2 PRO 86 (0.07) kept HD3 PRO 86 - HD3 PRO 86 (0.06) kept Peak 1286 (2.04, 3.88, 51.12 ppm): 48 chemical-shift based assignments, quality = 0.271, support = 2.45, residual support = 9.44: O HG2 PRO 116 - HD2 PRO 116 2.083% * 46.2589% (0.34 10.0 1.00 2.23 3.07) = 46.259% kept O HG3 PRO 86 - HD2 PRO 86 2.083% * 35.0858% (0.26 10.0 1.00 2.96 16.85) = 35.086% kept O T HG3 PRO 86 - HD3 PRO 86 2.083% * 12.5102% (0.09 10.0 10.00 2.96 16.85) = 12.510% kept T HB2 GLU- 45 - HD3 PRO 86 2.083% * 2.0282% (0.07 1.0 10.00 0.42 0.02) = 2.028% kept T HB3 GLU- 45 - HD2 PRO 116 2.083% * 1.0295% (0.76 1.0 10.00 0.02 0.02) = 1.030% kept T HB3 GLU- 45 - HD3 PRO 86 2.083% * 0.8987% (0.08 1.0 10.00 0.16 0.02) = 0.899% T HB2 GLU- 45 - HD2 PRO 116 2.083% * 0.8950% (0.66 1.0 10.00 0.02 0.02) = 0.895% HB3 LYS+ 110 - HD2 PRO 116 2.083% * 0.1230% (0.91 1.0 1.00 0.02 0.02) = 0.123% HB3 GLU- 107 - HD2 PRO 116 2.083% * 0.1166% (0.86 1.0 1.00 0.02 0.02) = 0.117% HB VAL 62 - HD2 PRO 116 2.083% * 0.1166% (0.86 1.0 1.00 0.02 0.02) = 0.117% HG3 PRO 86 - HD2 PRO 116 2.083% * 0.1166% (0.86 1.0 1.00 0.02 5.32) = 0.117% HB3 PRO 31 - HD2 PRO 116 2.083% * 0.0748% (0.55 1.0 1.00 0.02 0.02) = 0.075% HB2 LYS+ 44 - HD2 PRO 116 2.083% * 0.0748% (0.55 1.0 1.00 0.02 0.02) = 0.075% HB3 GLU- 75 - HD2 PRO 116 2.083% * 0.0741% (0.55 1.0 1.00 0.02 0.02) = 0.074% HB2 PRO 112 - HD2 PRO 116 2.083% * 0.0600% (0.44 1.0 1.00 0.02 0.02) = 0.060% HB3 PRO 112 - HD2 PRO 116 2.083% * 0.0507% (0.38 1.0 1.00 0.02 0.02) = 0.051% HB3 LYS+ 110 - HD2 PRO 86 2.083% * 0.0370% (0.27 1.0 1.00 0.02 0.02) = 0.037% HB VAL 62 - HD2 PRO 86 2.083% * 0.0351% (0.26 1.0 1.00 0.02 0.02) = 0.035% HB3 GLU- 107 - HD2 PRO 86 2.083% * 0.0351% (0.26 1.0 1.00 0.02 0.02) = 0.035% HB3 GLU- 45 - HD2 PRO 86 2.083% * 0.0310% (0.23 1.0 1.00 0.02 0.02) = 0.031% HG2 GLU- 64 - HD2 PRO 116 2.083% * 0.0307% (0.23 1.0 1.00 0.02 0.02) = 0.031% HB2 GLU- 45 - HD2 PRO 86 2.083% * 0.0269% (0.20 1.0 1.00 0.02 0.02) = 0.027% HB2 GLU- 18 - HD2 PRO 116 2.083% * 0.0244% (0.18 1.0 1.00 0.02 0.02) = 0.024% HB3 PRO 31 - HD2 PRO 86 2.083% * 0.0225% (0.17 1.0 1.00 0.02 0.02) = 0.022% HB2 LYS+ 44 - HD2 PRO 86 2.083% * 0.0225% (0.17 1.0 1.00 0.02 0.02) = 0.022% HB3 GLU- 75 - HD2 PRO 86 2.083% * 0.0223% (0.17 1.0 1.00 0.02 0.02) = 0.022% HB VAL 105 - HD2 PRO 116 2.083% * 0.0190% (0.14 1.0 1.00 0.02 0.02) = 0.019% HB2 PRO 112 - HD2 PRO 86 2.083% * 0.0181% (0.13 1.0 1.00 0.02 0.02) = 0.018% HG3 ARG+ 53 - HD2 PRO 116 2.083% * 0.0167% (0.12 1.0 1.00 0.02 0.02) = 0.017% HB3 PRO 112 - HD2 PRO 86 2.083% * 0.0152% (0.11 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 116 - HD2 PRO 86 2.083% * 0.0139% (0.10 1.0 1.00 0.02 5.32) = 0.014% HB3 LYS+ 110 - HD3 PRO 86 2.083% * 0.0132% (0.10 1.0 1.00 0.02 0.02) = 0.013% HB3 GLU- 107 - HD3 PRO 86 2.083% * 0.0125% (0.09 1.0 1.00 0.02 0.02) = 0.013% HB VAL 62 - HD3 PRO 86 2.083% * 0.0125% (0.09 1.0 1.00 0.02 0.02) = 0.013% HG2 GLU- 64 - HD2 PRO 86 2.083% * 0.0092% (0.07 1.0 1.00 0.02 0.74) = 0.009% HB3 PRO 31 - HD3 PRO 86 2.083% * 0.0080% (0.06 1.0 1.00 0.02 0.02) = 0.008% HB2 LYS+ 44 - HD3 PRO 86 2.083% * 0.0080% (0.06 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 75 - HD3 PRO 86 2.083% * 0.0080% (0.06 1.0 1.00 0.02 0.02) = 0.008% HB2 GLU- 18 - HD2 PRO 86 2.083% * 0.0073% (0.05 1.0 1.00 0.02 0.02) = 0.007% HB2 PRO 112 - HD3 PRO 86 2.083% * 0.0064% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB VAL 105 - HD2 PRO 86 2.083% * 0.0057% (0.04 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 112 - HD3 PRO 86 2.083% * 0.0054% (0.04 1.0 1.00 0.02 0.02) = 0.005% HG3 ARG+ 53 - HD2 PRO 86 2.083% * 0.0050% (0.04 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 116 - HD3 PRO 86 2.083% * 0.0050% (0.04 1.0 1.00 0.02 5.32) = 0.005% HG2 GLU- 64 - HD3 PRO 86 2.083% * 0.0033% (0.02 1.0 1.00 0.02 0.74) = 0.003% HB2 GLU- 18 - HD3 PRO 86 2.083% * 0.0026% (0.02 1.0 1.00 0.02 0.02) = 0.003% HB VAL 105 - HD3 PRO 86 2.083% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG3 ARG+ 53 - HD3 PRO 86 2.083% * 0.0018% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 1287 (4.85, 3.83, 51.08 ppm): 9 chemical-shift based assignments, quality = 0.538, support = 0.697, residual support = 0.914: HA THR 96 - HD3 PRO 116 11.111% * 59.3303% (0.79 0.50 0.90) = 59.330% kept HA THR 96 - HD3 PRO 86 11.111% * 23.1427% (0.10 1.48 1.50) = 23.143% kept HA ILE 19 - HD3 PRO 116 11.111% * 15.1016% (0.27 0.37 0.22) = 15.102% kept HA THR 96 - HD3 PRO 112 11.111% * 1.2132% (0.40 0.02 0.02) = 1.213% kept HA SER 69 - HD3 PRO 116 11.111% * 0.4180% (0.14 0.02 0.02) = 0.418% HA ILE 19 - HD3 PRO 112 11.111% * 0.4175% (0.14 0.02 0.02) = 0.418% HA SER 69 - HD3 PRO 112 11.111% * 0.2144% (0.07 0.02 0.02) = 0.214% HA ILE 19 - HD3 PRO 86 11.111% * 0.1073% (0.04 0.02 0.02) = 0.107% HA SER 69 - HD3 PRO 86 11.111% * 0.0551% (0.02 0.02 0.02) = 0.055% Peak 1288 (4.60, 3.80, 50.88 ppm): 2 chemical-shift based assignments, quality = 0.138, support = 0.02, residual support = 0.02: HA ASP- 25 - HD3 PRO 112 50.000% * 59.8315% (0.16 0.02 0.02) = 59.832% kept HA ASP- 25 - HD3 PRO 116 50.000% * 40.1685% (0.11 0.02 0.02) = 40.168% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1296 (3.82, 3.81, 50.96 ppm): 2 diagonal assignments: HD3 PRO 116 - HD3 PRO 116 (0.42) kept HD3 PRO 112 - HD3 PRO 112 (0.21) kept Peak 1297 (3.80, 3.62, 50.82 ppm): 7 chemical-shift based assignments, quality = 0.13, support = 2.95, residual support = 7.5: O HD3 PRO 112 - HD2 PRO 112 14.286% * 99.6587% (0.13 10.0 2.96 7.53) = 99.659% kept HB3 SER 41 - HD2 PRO 112 14.286% * 0.0863% (0.11 1.0 0.02 0.02) = 0.086% HA GLU- 45 - HD2 PRO 112 14.286% * 0.0827% (0.11 1.0 0.02 0.02) = 0.083% HA ILE 48 - HD2 PRO 112 14.286% * 0.0739% (0.10 1.0 0.02 0.02) = 0.074% HD3 PRO 116 - HD2 PRO 112 14.286% * 0.0388% (0.05 1.0 0.02 0.02) = 0.039% HA LYS+ 44 - HD2 PRO 112 14.286% * 0.0366% (0.05 1.0 0.02 0.02) = 0.037% HA2 GLY 92 - HD2 PRO 112 14.286% * 0.0230% (0.03 1.0 0.02 0.02) = 0.023% Peak 1300 (3.63, 3.80, 50.86 ppm): 4 chemical-shift based assignments, quality = 0.167, support = 2.93, residual support = 7.47: O T HD2 PRO 112 - HD3 PRO 112 25.000% * 99.2480% (0.17 10.0 10.00 2.96 7.53) = 99.248% kept T HD2 PRO 112 - HD3 PRO 116 25.000% * 0.5910% (0.10 1.0 10.00 0.02 0.02) = 0.591% HA ILE 48 - HD3 PRO 112 25.000% * 0.1009% (0.17 1.0 1.00 0.02 0.02) = 0.101% HA ILE 48 - HD3 PRO 116 25.000% * 0.0601% (0.10 1.0 1.00 0.02 0.02) = 0.060% Peak 1301 (3.63, 3.62, 50.84 ppm): 1 diagonal assignment: HD2 PRO 112 - HD2 PRO 112 (0.16) kept Peak 1306 (3.47, 3.46, 50.89 ppm): 1 diagonal assignment: HD3 PRO 31 - HD3 PRO 31 (0.21) kept Peak 1310 (2.31, 3.88, 51.09 ppm): 15 chemical-shift based assignments, quality = 0.537, support = 2.07, residual support = 8.73: T HB3 PRO 86 - HD2 PRO 116 6.667% * 42.7346% (0.82 1.0 10.00 1.48 5.32) = 42.735% kept T HB2 PRO 86 - HD2 PRO 116 6.667% * 27.4738% (0.51 1.0 10.00 1.54 5.32) = 27.474% kept O T HB3 PRO 86 - HD2 PRO 86 6.667% * 14.5746% (0.21 10.0 10.00 3.25 16.85) = 14.575% kept O T HB2 PRO 86 - HD2 PRO 86 6.667% * 9.0185% (0.13 10.0 10.00 3.72 16.85) = 9.019% kept O T HB3 PRO 86 - HD3 PRO 86 6.667% * 3.7361% (0.05 10.0 10.00 3.25 16.85) = 3.736% kept O T HB2 PRO 86 - HD3 PRO 86 6.667% * 2.3118% (0.03 10.0 10.00 3.72 16.85) = 2.312% kept HG3 GLU- 64 - HD2 PRO 116 6.667% * 0.0543% (0.78 1.0 1.00 0.02 0.02) = 0.054% HA1 GLY 58 - HD2 PRO 116 6.667% * 0.0313% (0.45 1.0 1.00 0.02 0.02) = 0.031% HB2 TYR 83 - HD2 PRO 116 6.667% * 0.0286% (0.41 1.0 1.00 0.02 0.02) = 0.029% HG3 GLU- 64 - HD2 PRO 86 6.667% * 0.0137% (0.20 1.0 1.00 0.02 0.74) = 0.014% HA1 GLY 58 - HD2 PRO 86 6.667% * 0.0079% (0.11 1.0 1.00 0.02 0.02) = 0.008% HB2 TYR 83 - HD2 PRO 86 6.667% * 0.0072% (0.10 1.0 1.00 0.02 0.02) = 0.007% HG3 GLU- 64 - HD3 PRO 86 6.667% * 0.0035% (0.05 1.0 1.00 0.02 0.74) = 0.004% HA1 GLY 58 - HD3 PRO 86 6.667% * 0.0020% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB2 TYR 83 - HD3 PRO 86 6.667% * 0.0019% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 1311 (2.30, 3.82, 51.00 ppm): 10 chemical-shift based assignments, quality = 0.444, support = 1.51, residual support = 4.39: HB2 PRO 86 - HD3 PRO 116 10.000% * 55.9414% (0.51 2.02 5.32) = 55.941% kept HB3 PRO 86 - HD3 PRO 116 10.000% * 26.2712% (0.47 1.03 5.32) = 26.271% kept HA1 GLY 58 - HD3 PRO 112 10.000% * 11.0976% (0.23 0.89 0.12) = 11.098% kept HA1 GLY 58 - HD3 PRO 116 10.000% * 4.4854% (0.30 0.27 0.02) = 4.485% kept HG3 GLU- 64 - HD3 PRO 116 10.000% * 0.6358% (0.58 0.02 0.02) = 0.636% HG3 GLU- 64 - HD3 PRO 112 10.000% * 0.4824% (0.44 0.02 0.02) = 0.482% HB2 PRO 86 - HD3 PRO 112 10.000% * 0.4194% (0.38 0.02 0.02) = 0.419% HB3 PRO 86 - HD3 PRO 112 10.000% * 0.3872% (0.35 0.02 0.02) = 0.387% HB2 TYR 83 - HD3 PRO 116 10.000% * 0.1589% (0.15 0.02 0.02) = 0.159% HB2 TYR 83 - HD3 PRO 112 10.000% * 0.1206% (0.11 0.02 0.02) = 0.121% Peak 1312 (2.02, 3.81, 50.97 ppm): 30 chemical-shift based assignments, quality = 0.401, support = 1.05, residual support = 5.87: O HB2 PRO 112 - HD3 PRO 112 3.333% * 29.2034% (0.43 10.0 1.00 1.27 7.53) = 29.203% kept O HG2 PRO 116 - HD3 PRO 116 3.333% * 24.9679% (0.46 10.0 1.00 1.00 3.07) = 24.968% kept O HB3 PRO 112 - HD3 PRO 112 3.333% * 23.2305% (0.43 10.0 1.00 1.00 7.53) = 23.230% kept T HG2 PRO 86 - HD3 PRO 116 3.333% * 16.1738% (0.34 1.0 10.00 0.89 5.32) = 16.174% kept T HG3 PRO 86 - HD3 PRO 116 3.333% * 5.5539% (0.12 1.0 10.00 0.89 5.32) = 5.554% kept HB3 PRO 112 - HD3 PRO 116 3.333% * 0.0500% (0.46 1.0 1.00 0.02 0.02) = 0.050% HB2 PRO 112 - HD3 PRO 116 3.333% * 0.0496% (0.46 1.0 1.00 0.02 0.02) = 0.050% HG2 GLU- 64 - HD3 PRO 116 3.333% * 0.0473% (0.44 1.0 1.00 0.02 0.02) = 0.047% HB3 PRO 31 - HD3 PRO 116 3.333% * 0.0473% (0.44 1.0 1.00 0.02 0.02) = 0.047% HB2 LYS+ 44 - HD3 PRO 116 3.333% * 0.0473% (0.44 1.0 1.00 0.02 0.02) = 0.047% HG2 PRO 116 - HD3 PRO 112 3.333% * 0.0464% (0.43 1.0 1.00 0.02 0.02) = 0.046% HB2 GLU- 18 - HD3 PRO 116 3.333% * 0.0449% (0.42 1.0 1.00 0.02 0.02) = 0.045% HB2 LYS+ 44 - HD3 PRO 112 3.333% * 0.0440% (0.41 1.0 1.00 0.02 0.02) = 0.044% HB3 PRO 31 - HD3 PRO 112 3.333% * 0.0440% (0.41 1.0 1.00 0.02 0.02) = 0.044% HG2 GLU- 64 - HD3 PRO 112 3.333% * 0.0440% (0.41 1.0 1.00 0.02 0.02) = 0.044% HB VAL 105 - HD3 PRO 116 3.333% * 0.0418% (0.39 1.0 1.00 0.02 0.02) = 0.042% HB2 GLU- 18 - HD3 PRO 112 3.333% * 0.0417% (0.39 1.0 1.00 0.02 0.02) = 0.042% HB VAL 105 - HD3 PRO 112 3.333% * 0.0388% (0.36 1.0 1.00 0.02 0.02) = 0.039% HB3 GLU- 45 - HD3 PRO 116 3.333% * 0.0382% (0.35 1.0 1.00 0.02 0.02) = 0.038% HB3 GLU- 45 - HD3 PRO 112 3.333% * 0.0355% (0.33 1.0 1.00 0.02 0.02) = 0.036% HG2 PRO 86 - HD3 PRO 112 3.333% * 0.0337% (0.31 1.0 1.00 0.02 0.02) = 0.034% HB3 GLU- 107 - HD3 PRO 116 3.333% * 0.0304% (0.28 1.0 1.00 0.02 0.02) = 0.030% HB3 GLU- 107 - HD3 PRO 112 3.333% * 0.0282% (0.26 1.0 1.00 0.02 0.02) = 0.028% HB3 LYS+ 110 - HD3 PRO 116 3.333% * 0.0224% (0.21 1.0 1.00 0.02 0.02) = 0.022% HB3 LYS+ 110 - HD3 PRO 112 3.333% * 0.0208% (0.19 1.0 1.00 0.02 0.02) = 0.021% HB3 GLU- 75 - HD3 PRO 116 3.333% * 0.0199% (0.18 1.0 1.00 0.02 0.02) = 0.020% HB3 GLU- 75 - HD3 PRO 112 3.333% * 0.0185% (0.17 1.0 1.00 0.02 0.02) = 0.019% HB VAL 62 - HD3 PRO 116 3.333% * 0.0125% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB VAL 62 - HD3 PRO 112 3.333% * 0.0116% (0.11 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 86 - HD3 PRO 112 3.333% * 0.0116% (0.11 1.0 1.00 0.02 0.02) = 0.012% Peak 1313 (1.99, 3.62, 50.80 ppm): 13 chemical-shift based assignments, quality = 0.0823, support = 2.2, residual support = 20.6: O HG3 PRO 104 - HD2 PRO 104 7.692% * 88.5466% (0.08 10.0 2.38 22.65) = 88.547% kept HB VAL 105 - HD2 PRO 104 7.692% * 7.1361% (0.14 1.0 0.94 5.62) = 7.136% kept HB3 PRO 112 - HD2 PRO 104 7.692% * 1.8793% (0.07 1.0 0.52 4.76) = 1.879% kept HB2 PRO 112 - HD2 PRO 104 7.692% * 1.5183% (0.05 1.0 0.52 4.76) = 1.518% kept HB2 LYS+ 108 - HD2 PRO 104 7.692% * 0.2047% (0.18 1.0 0.02 0.02) = 0.205% HG2 PRO 86 - HD2 PRO 104 7.692% * 0.1803% (0.16 1.0 0.02 0.02) = 0.180% HB2 GLU- 18 - HD2 PRO 104 7.692% * 0.1336% (0.12 1.0 0.02 0.02) = 0.134% HG2 GLU- 64 - HD2 PRO 104 7.692% * 0.1148% (0.10 1.0 0.02 0.02) = 0.115% HG2 PRO 116 - HD2 PRO 104 7.692% * 0.0805% (0.07 1.0 0.02 0.02) = 0.080% HB VAL 73 - HD2 PRO 104 7.692% * 0.0728% (0.07 1.0 0.02 0.02) = 0.073% HB3 GLU- 75 - HD2 PRO 104 7.692% * 0.0504% (0.05 1.0 0.02 0.02) = 0.050% HB2 LYS+ 44 - HD2 PRO 104 7.692% * 0.0413% (0.04 1.0 0.02 0.02) = 0.041% HB3 PRO 31 - HD2 PRO 104 7.692% * 0.0413% (0.04 1.0 0.02 0.02) = 0.041% 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): 11 chemical-shift based assignments, quality = 0.354, support = 2.42, residual support = 21.8: O HG3 PRO 31 - HD3 PRO 31 9.091% * 99.2363% (0.36 10.0 2.44 21.97) = 99.236% kept HG3 PRO 116 - HD3 PRO 31 9.091% * 0.1185% (0.43 1.0 0.02 0.02) = 0.119% HB VAL 122 - HD3 PRO 31 9.091% * 0.1178% (0.42 1.0 0.02 0.02) = 0.118% HB3 GLU- 109 - HD3 PRO 31 9.091% * 0.1165% (0.42 1.0 0.02 0.02) = 0.116% HB3 LYS+ 55 - HD3 PRO 31 9.091% * 0.0951% (0.34 1.0 0.02 0.02) = 0.095% HB VAL 73 - HD3 PRO 31 9.091% * 0.0769% (0.28 1.0 0.02 0.02) = 0.077% HB2 GLU- 75 - HD3 PRO 31 9.091% * 0.0721% (0.26 1.0 0.02 0.02) = 0.072% HG3 PRO 104 - HD3 PRO 31 9.091% * 0.0673% (0.24 1.0 0.02 0.02) = 0.067% HG2 PRO 112 - HD3 PRO 31 9.091% * 0.0446% (0.16 1.0 0.02 0.02) = 0.045% HB2 PRO 116 - HD3 PRO 31 9.091% * 0.0367% (0.13 1.0 0.02 0.02) = 0.037% HB2 LYS+ 108 - HD3 PRO 31 9.091% * 0.0183% (0.07 1.0 0.02 0.02) = 0.018% Peak 1316 (1.78, 3.58, 50.95 ppm): 26 chemical-shift based assignments, quality = 0.384, support = 2.21, residual support = 21.6: O HG2 PRO 31 - HD2 PRO 31 3.846% * 98.2147% (0.39 10.0 2.25 21.97) = 98.215% kept HB3 PRO 116 - HD2 PRO 104 3.846% * 0.1158% (0.46 1.0 0.02 0.02) = 0.116% HG2 PRO 31 - HD2 PRO 104 3.846% * 0.1155% (0.46 1.0 0.02 0.02) = 0.116% HB3 LYS+ 63 - HD2 PRO 104 3.846% * 0.1095% (0.44 1.0 0.02 0.02) = 0.110% HB3 PRO 116 - HD2 PRO 31 3.846% * 0.0984% (0.39 1.0 0.02 0.02) = 0.098% HB3 LYS+ 63 - HD2 PRO 31 3.846% * 0.0931% (0.37 1.0 0.02 0.02) = 0.093% HB2 LYS+ 117 - HD2 PRO 104 3.846% * 0.0927% (0.37 1.0 0.02 0.02) = 0.093% HB3 LYS+ 113 - HD2 PRO 104 3.846% * 0.0927% (0.37 1.0 0.02 0.02) = 0.093% HB3 LYS+ 108 - HD2 PRO 104 3.846% * 0.0885% (0.35 1.0 0.02 0.02) = 0.088% HB3 ARG+ 53 - HD2 PRO 104 3.846% * 0.0885% (0.35 1.0 0.02 0.02) = 0.088% HB3 GLU- 18 - HD2 PRO 104 3.846% * 0.0885% (0.35 1.0 0.02 0.02) = 0.088% HB3 LYS+ 117 - HD2 PRO 104 3.846% * 0.0841% (0.33 1.0 0.02 0.02) = 0.084% HB3 LYS+ 113 - HD2 PRO 31 3.846% * 0.0788% (0.31 1.0 0.02 0.02) = 0.079% HB2 LYS+ 117 - HD2 PRO 31 3.846% * 0.0788% (0.31 1.0 0.02 0.02) = 0.079% HB3 LYS+ 108 - HD2 PRO 31 3.846% * 0.0752% (0.30 1.0 0.02 0.02) = 0.075% HB3 ARG+ 53 - HD2 PRO 31 3.846% * 0.0752% (0.30 1.0 0.02 0.02) = 0.075% HB3 GLU- 18 - HD2 PRO 31 3.846% * 0.0752% (0.30 1.0 0.02 0.13) = 0.075% HB3 LYS+ 117 - HD2 PRO 31 3.846% * 0.0715% (0.28 1.0 0.02 0.02) = 0.071% HB3 LYS+ 44 - HD2 PRO 104 3.846% * 0.0702% (0.28 1.0 0.02 0.02) = 0.070% HB3 LYS+ 44 - HD2 PRO 31 3.846% * 0.0597% (0.24 1.0 0.02 0.49) = 0.060% HB2 ARG+ 84 - HD2 PRO 104 3.846% * 0.0289% (0.12 1.0 0.02 0.02) = 0.029% HB2 ARG+ 84 - HD2 PRO 31 3.846% * 0.0245% (0.10 1.0 0.02 0.02) = 0.025% HB2 GLU- 109 - HD2 PRO 104 3.846% * 0.0229% (0.09 1.0 0.02 0.02) = 0.023% HB VAL 94 - HD2 PRO 104 3.846% * 0.0203% (0.08 1.0 0.02 1.36) = 0.020% HB2 GLU- 109 - HD2 PRO 31 3.846% * 0.0195% (0.08 1.0 0.02 0.02) = 0.019% HB VAL 94 - HD2 PRO 31 3.846% * 0.0172% (0.07 1.0 0.02 0.02) = 0.017% Peak 1317 (1.78, 3.46, 50.99 ppm): 12 chemical-shift based assignments, quality = 0.425, support = 3.4, residual support = 21.5: O T HG2 PRO 31 - HD3 PRO 31 8.333% * 97.8263% (0.43 10.0 10.00 3.46 21.97) = 97.826% kept HB3 LYS+ 44 - HD3 PRO 31 8.333% * 1.4517% (0.17 1.0 1.00 0.75 0.49) = 1.452% kept HB3 ARG+ 53 - HD3 PRO 31 8.333% * 0.1088% (0.48 1.0 1.00 0.02 0.02) = 0.109% HB3 GLU- 18 - HD3 PRO 31 8.333% * 0.1088% (0.48 1.0 1.00 0.02 0.13) = 0.109% HB3 PRO 116 - HD3 PRO 31 8.333% * 0.1011% (0.45 1.0 1.00 0.02 0.02) = 0.101% HB3 LYS+ 63 - HD3 PRO 31 8.333% * 0.0819% (0.36 1.0 1.00 0.02 0.02) = 0.082% HB3 LYS+ 113 - HD3 PRO 31 8.333% * 0.0593% (0.26 1.0 1.00 0.02 0.02) = 0.059% HB2 LYS+ 117 - HD3 PRO 31 8.333% * 0.0593% (0.26 1.0 1.00 0.02 0.02) = 0.059% HB2 ARG+ 84 - HD3 PRO 31 8.333% * 0.0549% (0.24 1.0 1.00 0.02 0.02) = 0.055% HB3 LYS+ 108 - HD3 PRO 31 8.333% * 0.0549% (0.24 1.0 1.00 0.02 0.02) = 0.055% HB3 LYS+ 117 - HD3 PRO 31 8.333% * 0.0506% (0.22 1.0 1.00 0.02 0.02) = 0.051% HB VAL 94 - HD3 PRO 31 8.333% * 0.0423% (0.19 1.0 1.00 0.02 0.02) = 0.042% Peak 1320 (4.55, 3.75, 50.58 ppm): 5 chemical-shift based assignments, quality = 0.651, support = 2.02, residual support = 12.0: O HA ALA 103 - HD3 PRO 104 20.000% * 99.6573% (0.65 10.0 2.02 12.02) = 99.657% kept HA LEU 17 - HD3 PRO 104 20.000% * 0.1242% (0.81 1.0 0.02 0.61) = 0.124% HA THR 79 - HD3 PRO 104 20.000% * 0.1234% (0.81 1.0 0.02 0.02) = 0.123% HA LYS+ 78 - HD3 PRO 104 20.000% * 0.0606% (0.40 1.0 0.02 0.02) = 0.061% HA LYS+ 72 - HD3 PRO 104 20.000% * 0.0346% (0.23 1.0 0.02 0.02) = 0.035% Peak 1321 (4.57, 3.61, 50.61 ppm): 4 chemical-shift based assignments, quality = 0.227, support = 0.02, residual support = 0.113: HA LYS+ 72 - HD2 PRO 104 25.000% * 46.1395% (0.34 0.02 0.02) = 46.139% kept HA ASP- 25 - HD2 PRO 104 25.000% * 20.7318% (0.15 0.02 0.02) = 20.732% kept HA THR 79 - HD2 PRO 104 25.000% * 17.3552% (0.13 0.02 0.02) = 17.355% kept HA LEU 17 - HD2 PRO 104 25.000% * 15.7736% (0.12 0.02 0.61) = 15.774% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1325 (3.62, 3.75, 50.58 ppm): 2 chemical-shift based assignments, quality = 0.709, support = 1.99, residual support = 5.91: HD2 PRO 112 - HD3 PRO 104 50.000% * 50.4922% (0.74 1.92 4.76) = 50.492% kept HA ILE 48 - HD3 PRO 104 50.000% * 49.5078% (0.67 2.07 7.08) = 49.508% kept Peak 1326 (1.96, 3.75, 50.63 ppm): 11 chemical-shift based assignments, quality = 0.523, support = 3.44, residual support = 21.5: O HG3 PRO 104 - HD3 PRO 104 9.091% * 94.7266% (0.53 10.0 3.62 22.65) = 94.727% kept HG2 PRO 112 - HD3 PRO 104 9.091% * 1.6783% (0.35 1.0 0.53 4.76) = 1.678% kept HB VAL 73 - HD3 PRO 104 9.091% * 1.4178% (0.60 1.0 0.26 0.02) = 1.418% kept HB2 GLU- 75 - HD3 PRO 104 9.091% * 1.3293% (0.57 1.0 0.26 0.02) = 1.329% kept HG3 PRO 116 - HD3 PRO 104 9.091% * 0.1669% (0.93 1.0 0.02 0.02) = 0.167% HB VAL 122 - HD3 PRO 104 9.091% * 0.1658% (0.93 1.0 0.02 0.42) = 0.166% HB3 GLU- 109 - HD3 PRO 104 9.091% * 0.1640% (0.92 1.0 0.02 0.02) = 0.164% HG3 PRO 31 - HD3 PRO 104 9.091% * 0.1398% (0.78 1.0 0.02 0.02) = 0.140% HB3 LYS+ 55 - HD3 PRO 104 9.091% * 0.1340% (0.75 1.0 0.02 0.02) = 0.134% HB2 PRO 116 - HD3 PRO 104 9.091% * 0.0516% (0.29 1.0 0.02 0.02) = 0.052% HB2 LYS+ 108 - HD3 PRO 104 9.091% * 0.0258% (0.14 1.0 0.02 0.02) = 0.026% Peak 1327 (1.31, 3.75, 50.60 ppm): 5 chemical-shift based assignments, quality = 0.824, support = 3.28, residual support = 11.6: T QB ALA 103 - HD3 PRO 104 20.000% * 95.9136% (0.84 10.00 3.37 12.02) = 95.914% kept HG LEU 74 - HD3 PRO 104 20.000% * 3.9754% (0.56 1.00 1.23 1.08) = 3.975% kept QG2 THR 46 - HD3 PRO 104 20.000% * 0.0582% (0.51 1.00 0.02 0.02) = 0.058% HB2 LYS+ 55 - HD3 PRO 104 20.000% * 0.0360% (0.31 1.00 0.02 0.02) = 0.036% HB2 LEU 17 - HD3 PRO 104 20.000% * 0.0168% (0.15 1.00 0.02 0.61) = 0.017% Peak 1328 (1.32, 3.60, 50.59 ppm): 5 chemical-shift based assignments, quality = 0.513, support = 2.87, residual support = 11.8: T QB ALA 103 - HD2 PRO 104 20.000% * 98.2629% (0.52 10.00 2.91 12.02) = 98.263% kept HG LEU 74 - HD2 PRO 104 20.000% * 1.6283% (0.35 1.00 0.49 1.08) = 1.628% kept QG2 THR 46 - HD2 PRO 104 20.000% * 0.0558% (0.29 1.00 0.02 0.02) = 0.056% HB2 LYS+ 55 - HD2 PRO 104 20.000% * 0.0336% (0.18 1.00 0.02 0.02) = 0.034% HB2 LEU 17 - HD2 PRO 104 20.000% * 0.0195% (0.10 1.00 0.02 0.61) = 0.019% 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): 7 chemical-shift based assignments, quality = 0.29, support = 0.202, residual support = 0.02: HD3 PRO 112 - HD3 PRO 59 14.286% * 35.6853% (0.29 0.28 0.02) = 35.685% kept HA GLU- 45 - HD3 PRO 59 14.286% * 20.4443% (0.36 0.13 0.02) = 20.444% kept HA LYS+ 44 - HD3 PRO 59 14.286% * 20.4000% (0.16 0.29 0.02) = 20.400% kept HB3 SER 41 - HD3 PRO 59 14.286% * 15.6128% (0.35 0.10 0.02) = 15.613% kept HD3 PRO 116 - HD3 PRO 59 14.286% * 3.1023% (0.35 0.02 0.02) = 3.102% kept HA2 GLY 92 - HD3 PRO 59 14.286% * 2.5684% (0.29 0.02 0.02) = 2.568% kept HA ILE 48 - HD3 PRO 59 14.286% * 2.1869% (0.25 0.02 0.02) = 2.187% kept Not enough support, support cutoff is 0.25 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 (0.34) kept Peak 1364 (1.46, 1.21, 46.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1365 (1.21, 1.47, 46.80 ppm): 2 chemical-shift based assignments, quality = 0.314, support = 4.6, residual support = 24.2: T HG LEU 74 - HB3 LEU 67 50.000% * 96.2160% (0.32 10.00 4.69 24.34) = 96.216% kept HB ILE 68 - HB3 LEU 67 50.000% * 3.7840% (0.11 1.00 2.35 19.74) = 3.784% kept Peak 1366 (1.21, 1.21, 46.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1367 (0.85, 1.21, 46.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1368 (0.80, 1.47, 46.84 ppm): 9 chemical-shift based assignments, quality = 0.326, support = 3.02, residual support = 26.7: O QD2 LEU 67 - HB3 LEU 67 11.111% * 74.1065% (0.39 10.0 1.00 2.46 27.70) = 74.107% kept T HG LEU 74 - HB3 LEU 67 11.111% * 25.5626% (0.14 1.0 10.00 4.69 24.34) = 25.563% kept QB ALA 93 - HB3 LEU 67 11.111% * 0.0837% (0.44 1.0 1.00 0.02 0.02) = 0.084% QD1 ILE 100 - HB3 LEU 67 11.111% * 0.0789% (0.42 1.0 1.00 0.02 0.94) = 0.079% QD2 LEU 90 - HB3 LEU 67 11.111% * 0.0518% (0.27 1.0 1.00 0.02 0.02) = 0.052% QD2 LEU 17 - HB3 LEU 67 11.111% * 0.0416% (0.22 1.0 1.00 0.02 0.02) = 0.042% HG3 LYS+ 113 - HB3 LEU 67 11.111% * 0.0321% (0.17 1.0 1.00 0.02 0.02) = 0.032% QG1 VAL 94 - HB3 LEU 67 11.111% * 0.0238% (0.13 1.0 1.00 0.02 0.02) = 0.024% HG2 LYS+ 113 - HB3 LEU 67 11.111% * 0.0190% (0.10 1.0 1.00 0.02 0.02) = 0.019% 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): 7 chemical-shift based assignments, quality = 0.674, support = 1.97, residual support = 12.4: O T HA2 GLY 71 - HA1 GLY 71 14.286% * 97.9700% (0.68 10.0 10.00 2.00 12.68) = 97.970% kept HA LYS+ 44 - HA1 GLY 71 14.286% * 1.7425% (0.34 1.0 1.00 0.72 0.24) = 1.742% kept HB2 SER 88 - HA1 GLY 71 14.286% * 0.0929% (0.65 1.0 1.00 0.02 0.02) = 0.093% HD2 PRO 59 - HA1 GLY 71 14.286% * 0.0906% (0.63 1.0 1.00 0.02 0.02) = 0.091% HA ARG+ 53 - HA1 GLY 71 14.286% * 0.0478% (0.33 1.0 1.00 0.02 0.02) = 0.048% HB THR 106 - HA1 GLY 71 14.286% * 0.0369% (0.26 1.0 1.00 0.02 0.02) = 0.037% HA THR 46 - HA1 GLY 71 14.286% * 0.0194% (0.14 1.0 1.00 0.02 0.02) = 0.019% Peak 1372 (3.46, 4.14, 45.61 ppm): 6 chemical-shift based assignments, quality = 0.679, support = 1.99, residual support = 12.6: O T HA1 GLY 71 - HA2 GLY 71 16.667% * 99.7456% (0.68 10.0 10.00 2.00 12.68) = 99.746% kept HD3 PRO 31 - HA2 GLY 71 16.667% * 0.0986% (0.67 1.0 1.00 0.02 0.02) = 0.099% HA VAL 80 - HA2 GLY 71 16.667% * 0.0806% (0.55 1.0 1.00 0.02 0.02) = 0.081% HA VAL 62 - HA2 GLY 71 16.667% * 0.0311% (0.21 1.0 1.00 0.02 0.86) = 0.031% HA ILE 48 - HA2 GLY 71 16.667% * 0.0264% (0.18 1.0 1.00 0.02 0.02) = 0.026% HA1 GLY 30 - HA2 GLY 71 16.667% * 0.0176% (0.12 1.0 1.00 0.02 0.02) = 0.018% Peak 1374 (8.98, 1.74, 45.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1375 (8.98, 1.35, 45.37 ppm): 1 chemical-shift based assignment, quality = 0.211, support = 0.0827, residual support = 0.02: HN MET 97 - HB2 LEU 17 100.000% *100.0000% (0.21 0.08 0.02) = 100.000% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1376 (8.46, 3.98, 45.56 ppm): 6 chemical-shift based assignments, quality = 0.399, support = 2.5, residual support = 8.81: O HN GLY 92 - HA1 GLY 92 16.667% * 98.6740% (0.40 10.0 2.53 8.93) = 98.674% kept HN GLU- 18 - HA1 GLY 92 16.667% * 1.0025% (0.19 1.0 0.43 0.02) = 1.003% kept HN LYS+ 113 - HA1 GLY 92 16.667% * 0.1127% (0.46 1.0 0.02 0.02) = 0.113% HN GLU- 107 - HA1 GLY 92 16.667% * 0.1127% (0.46 1.0 0.02 0.02) = 0.113% HN LEU 74 - HA1 GLY 92 16.667% * 0.0826% (0.34 1.0 0.02 0.10) = 0.083% HN ARG+ 53 - HA1 GLY 92 16.667% * 0.0154% (0.06 1.0 0.02 0.02) = 0.015% Peak 1377 (8.39, 4.13, 45.59 ppm): 2 chemical-shift based assignments, quality = 0.296, support = 3.11, residual support = 12.7: O HN GLY 71 - HA2 GLY 71 50.000% * 99.9543% (0.30 10.0 3.11 12.68) = 99.954% kept HN LYS+ 108 - HA2 GLY 71 50.000% * 0.0457% (0.14 1.0 0.02 0.02) = 0.046% Peak 1378 (8.38, 3.46, 45.56 ppm): 3 chemical-shift based assignments, quality = 0.299, support = 3.13, residual support = 12.7: O HN GLY 71 - HA1 GLY 71 33.333% * 99.9269% (0.30 10.0 3.13 12.68) = 99.927% kept HN LYS+ 108 - HA1 GLY 71 33.333% * 0.0509% (0.15 1.0 0.02 0.02) = 0.051% HN ALA 103 - HA1 GLY 71 33.333% * 0.0223% (0.07 1.0 0.02 0.02) = 0.022% Peak 1379 (8.30, 2.39, 45.43 ppm): 6 chemical-shift based assignments, quality = 0.347, support = 3.43, residual support = 33.1: O HN ASP- 28 - HB3 ASP- 28 16.667% * 98.6315% (0.35 10.0 3.48 33.57) = 98.632% kept HN VAL 99 - HB3 ASP- 28 16.667% * 1.1142% (0.31 1.0 0.25 0.40) = 1.114% kept HN ALA 91 - HB3 ASP- 28 16.667% * 0.1358% (0.48 1.0 0.02 0.02) = 0.136% HN ASN 89 - HB3 ASP- 28 16.667% * 0.0463% (0.16 1.0 0.02 0.02) = 0.046% HN ASN 76 - HB3 ASP- 28 16.667% * 0.0419% (0.15 1.0 0.02 0.02) = 0.042% HN GLY 114 - HB3 ASP- 28 16.667% * 0.0302% (0.11 1.0 0.02 0.02) = 0.030% Peak 1380 (8.14, 4.36, 45.48 ppm): 8 chemical-shift based assignments, quality = 0.352, support = 2.43, residual support = 4.79: O HN GLY 26 - HA1 GLY 26 12.500% * 50.6844% (0.36 10.0 2.44 4.80) = 50.684% kept O HN GLY 26 - HA2 GLY 26 12.500% * 49.0024% (0.35 10.0 2.44 4.80) = 49.002% kept HN SER 77 - HA1 GLY 26 12.500% * 0.0942% (0.67 1.0 0.02 0.02) = 0.094% HN SER 77 - HA2 GLY 26 12.500% * 0.0911% (0.64 1.0 0.02 0.02) = 0.091% HN SER 41 - HA1 GLY 26 12.500% * 0.0343% (0.24 1.0 0.02 0.02) = 0.034% HN SER 41 - HA2 GLY 26 12.500% * 0.0331% (0.23 1.0 0.02 0.02) = 0.033% HN SER 88 - HA1 GLY 26 12.500% * 0.0307% (0.22 1.0 0.02 0.02) = 0.031% HN SER 88 - HA2 GLY 26 12.500% * 0.0297% (0.21 1.0 0.02 0.02) = 0.030% Peak 1381 (8.13, 3.53, 45.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1382 (5.98, 2.38, 45.39 ppm): 1 chemical-shift based assignment, quality = 0.317, support = 3.58, residual support = 33.6: O T HA ASP- 28 - HB3 ASP- 28 100.000% *100.0000% (0.32 10.0 10.00 3.58 33.57) = 100.000% kept Peak 1383 (5.98, 2.13, 45.42 ppm): 1 chemical-shift based assignment, quality = 0.393, support = 3.0, residual support = 33.6: O T HA ASP- 28 - HB2 ASP- 28 100.000% *100.0000% (0.39 10.0 10.00 3.00 33.57) = 100.000% kept Peak 1384 (4.55, 1.75, 45.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1385 (4.55, 1.35, 45.38 ppm): 5 chemical-shift based assignments, quality = 0.538, support = 4.0, residual support = 23.5: O HA LEU 17 - HB2 LEU 17 20.000% * 99.7528% (0.54 10.0 4.01 23.57) = 99.753% kept HA THR 79 - HB2 LEU 17 20.000% * 0.1031% (0.56 1.0 0.02 0.02) = 0.103% HA LYS+ 72 - HB2 LEU 17 20.000% * 0.0697% (0.38 1.0 0.02 0.02) = 0.070% HA ALA 103 - HB2 LEU 17 20.000% * 0.0516% (0.28 1.0 0.02 0.02) = 0.052% HA LYS+ 78 - HB2 LEU 17 20.000% * 0.0228% (0.12 1.0 0.02 0.02) = 0.023% Peak 1386 (4.36, 4.36, 45.30 ppm): 2 diagonal assignments: HA1 GLY 26 - HA1 GLY 26 (0.87) kept HA2 GLY 26 - HA2 GLY 26 (0.84) kept Peak 1387 (4.13, 4.13, 45.48 ppm): 1 diagonal assignment: HA2 GLY 71 - HA2 GLY 71 (0.30) kept Peak 1388 (3.84, 3.83, 45.44 ppm): 1 diagonal assignment: HA2 GLY 92 - HA2 GLY 92 (0.14) kept Peak 1389 (3.54, 4.36, 45.29 ppm): 2 chemical-shift based assignments, quality = 0.473, support = 2.76, residual support = 5.05: HA ILE 48 - HA1 GLY 26 50.000% * 56.2616% (0.47 3.10 5.05) = 56.262% kept HA ILE 48 - HA2 GLY 26 50.000% * 43.7384% (0.48 2.33 5.05) = 43.738% kept Peak 1390 (3.47, 3.46, 45.57 ppm): 1 diagonal assignment: HA1 GLY 71 - HA1 GLY 71 (0.53) kept Peak 1391 (2.38, 2.38, 45.42 ppm): 1 diagonal assignment: HB3 ASP- 28 - HB3 ASP- 28 (0.39) kept Peak 1392 (2.38, 2.13, 45.42 ppm): 3 chemical-shift based assignments, quality = 0.383, support = 3.1, residual support = 28.6: O T HB3 ASP- 28 - HB2 ASP- 28 33.333% * 85.0918% (0.38 10.0 10.00 3.58 33.57) = 85.092% kept T HB2 LYS+ 78 - HB2 ASP- 28 33.333% * 11.8345% (0.41 1.0 10.00 0.26 0.02) = 11.834% kept HA1 GLY 58 - HB2 ASP- 28 33.333% * 3.0737% (0.28 1.0 1.00 0.98 0.02) = 3.074% kept Peak 1393 (2.13, 2.38, 45.41 ppm): 9 chemical-shift based assignments, quality = 0.392, support = 3.51, residual support = 32.7: O T HB2 ASP- 28 - HB3 ASP- 28 11.111% * 97.4756% (0.40 10.0 10.00 3.58 33.57) = 97.476% kept HA1 GLY 58 - HB3 ASP- 28 11.111% * 1.4559% (0.09 1.0 1.00 1.29 0.02) = 1.456% kept HB3 GLU- 75 - HB3 ASP- 28 11.111% * 0.7482% (0.32 1.0 1.00 0.19 0.02) = 0.748% HB VAL 47 - HB3 ASP- 28 11.111% * 0.0975% (0.40 1.0 1.00 0.02 0.02) = 0.097% HG3 GLN 102 - HB3 ASP- 28 11.111% * 0.0882% (0.36 1.0 1.00 0.02 0.02) = 0.088% HB3 LYS+ 78 - HB3 ASP- 28 11.111% * 0.0636% (0.26 1.0 1.00 0.02 0.02) = 0.064% HG3 GLU- 56 - HB3 ASP- 28 11.111% * 0.0304% (0.12 1.0 1.00 0.02 0.02) = 0.030% HB3 LEU 43 - HB3 ASP- 28 11.111% * 0.0273% (0.11 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 104 - HB3 ASP- 28 11.111% * 0.0133% (0.05 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 (0.39) kept Peak 1395 (1.75, 1.75, 45.38 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1396 (1.75, 1.36, 45.38 ppm): 6 chemical-shift based assignments, quality = 0.274, support = 1.1, residual support = 7.21: HB3 GLU- 50 - HB2 LEU 17 16.667% * 38.7531% (0.33 0.92 0.56) = 38.753% kept HB3 GLU- 18 - HB2 LEU 17 16.667% * 36.6325% (0.16 1.78 19.06) = 36.633% kept HB VAL 94 - HB2 LEU 17 16.667% * 13.9592% (0.52 0.21 0.02) = 13.959% kept HB ILE 48 - HB2 LEU 17 16.667% * 9.0570% (0.10 0.70 0.02) = 9.057% kept HB2 ARG+ 84 - HB2 LEU 17 16.667% * 1.1863% (0.47 0.02 0.11) = 1.186% kept HB3 ARG+ 53 - HB2 LEU 17 16.667% * 0.4119% (0.16 0.02 0.02) = 0.412% Peak 1397 (1.59, 1.75, 45.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1398 (1.58, 1.36, 45.39 ppm): 11 chemical-shift based assignments, quality = 0.335, support = 3.6, residual support = 22.9: O HG LEU 17 - HB2 LEU 17 9.091% * 71.3152% (0.40 10.0 3.50 23.57) = 71.315% kept O HB3 LEU 17 - HB2 LEU 17 9.091% * 25.9455% (0.15 10.0 4.18 23.57) = 25.946% kept HB ILE 19 - HB2 LEU 17 9.091% * 2.4061% (0.42 1.0 0.64 0.02) = 2.406% kept HB3 LYS+ 32 - HB2 LEU 17 9.091% * 0.0809% (0.46 1.0 0.02 0.02) = 0.081% HG3 LYS+ 60 - HB2 LEU 17 9.091% * 0.0779% (0.44 1.0 0.02 0.02) = 0.078% HD3 LYS+ 60 - HB2 LEU 17 9.091% * 0.0641% (0.36 1.0 0.02 0.02) = 0.064% HD3 LYS+ 32 - HB2 LEU 17 9.091% * 0.0350% (0.20 1.0 0.02 0.02) = 0.035% HB3 LEU 90 - HB2 LEU 17 9.091% * 0.0259% (0.15 1.0 0.02 2.00) = 0.026% HG13 ILE 29 - HB2 LEU 17 9.091% * 0.0185% (0.10 1.0 0.02 6.02) = 0.018% HG3 LYS+ 110 - HB2 LEU 17 9.091% * 0.0163% (0.09 1.0 0.02 0.02) = 0.016% HG2 LYS+ 110 - HB2 LEU 17 9.091% * 0.0144% (0.08 1.0 0.02 0.02) = 0.014% Peak 1399 (1.36, 1.75, 45.38 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1400 (1.36, 1.36, 45.38 ppm): 1 diagonal assignment: HB2 LEU 17 - HB2 LEU 17 (0.31) kept Peak 1401 (0.93, 1.75, 45.38 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1402 (0.93, 1.36, 45.37 ppm): 15 chemical-shift based assignments, quality = 0.552, support = 3.25, residual support = 22.7: O QD1 LEU 17 - HB2 LEU 17 6.667% * 96.3259% (0.56 10.0 3.34 23.57) = 96.326% kept HG LEU 74 - HB2 LEU 17 6.667% * 3.0858% (0.38 1.0 0.94 0.30) = 3.086% kept QG1 VAL 105 - HB2 LEU 17 6.667% * 0.0940% (0.55 1.0 0.02 0.02) = 0.094% QG2 VAL 73 - HB2 LEU 17 6.667% * 0.0851% (0.49 1.0 0.02 0.02) = 0.085% HG12 ILE 29 - HB2 LEU 17 6.667% * 0.0659% (0.38 1.0 0.02 6.02) = 0.066% QG2 VAL 62 - HB2 LEU 17 6.667% * 0.0618% (0.36 1.0 0.02 0.02) = 0.062% HG12 ILE 68 - HB2 LEU 17 6.667% * 0.0536% (0.31 1.0 0.02 0.02) = 0.054% QG2 ILE 29 - HB2 LEU 17 6.667% * 0.0536% (0.31 1.0 0.02 6.02) = 0.054% HG3 LYS+ 63 - HB2 LEU 17 6.667% * 0.0419% (0.24 1.0 0.02 0.02) = 0.042% HG13 ILE 68 - HB2 LEU 17 6.667% * 0.0283% (0.16 1.0 0.02 0.02) = 0.028% QG2 VAL 87 - HB2 LEU 17 6.667% * 0.0254% (0.15 1.0 0.02 0.02) = 0.025% QG2 VAL 99 - HB2 LEU 17 6.667% * 0.0227% (0.13 1.0 0.02 0.33) = 0.023% QD1 LEU 67 - HB2 LEU 17 6.667% * 0.0227% (0.13 1.0 0.02 0.02) = 0.023% QG1 VAL 47 - HB2 LEU 17 6.667% * 0.0178% (0.10 1.0 0.02 0.02) = 0.018% QG2 VAL 105 - HB2 LEU 17 6.667% * 0.0157% (0.09 1.0 0.02 0.02) = 0.016% Peak 1403 (0.84, 1.75, 45.37 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1404 (4.36, 3.53, 45.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1405 (3.91, 3.93, 45.15 ppm): 11 chemical-shift based assignments, quality = 0.369, support = 0.442, residual support = 0.126: T HA LYS+ 44 - HA1 GLY 114 9.091% * 57.8669% (0.41 10.00 0.28 0.02) = 57.867% kept HB2 SER 77 - HA1 GLY 114 9.091% * 17.5255% (0.49 1.00 0.70 0.39) = 17.525% kept HB3 SER 77 - HA1 GLY 114 9.091% * 11.2460% (0.23 1.00 0.94 0.39) = 11.246% kept HD2 PRO 116 - HA1 GLY 114 9.091% * 4.5241% (0.11 1.00 0.81 0.02) = 4.524% kept HA LEU 74 - HA1 GLY 114 9.091% * 3.7373% (0.22 1.00 0.33 0.02) = 3.737% kept T HB THR 96 - HA1 GLY 114 9.091% * 2.6496% (0.26 10.00 0.02 0.02) = 2.650% kept HD2 PRO 86 - HA1 GLY 114 9.091% * 1.9247% (0.14 1.00 0.27 0.02) = 1.925% kept HB3 CYS 121 - HA1 GLY 114 9.091% * 0.1718% (0.17 1.00 0.02 0.02) = 0.172% HA ILE 48 - HA1 GLY 114 9.091% * 0.1403% (0.14 1.00 0.02 0.02) = 0.140% HA VAL 122 - HA1 GLY 114 9.091% * 0.1256% (0.12 1.00 0.02 0.02) = 0.126% HA VAL 125 - HA1 GLY 114 9.091% * 0.0882% (0.09 1.00 0.02 0.02) = 0.088% Not enough total support, support cutoff is 0.50 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): 4 chemical-shift based assignments, quality = 0.0363, support = 0.02, residual support = 0.02: HA1 GLY 58 - HA2 GLY 114 25.000% * 44.9768% (0.05 0.02 0.02) = 44.977% kept HG3 MET 97 - HA2 GLY 114 25.000% * 21.1508% (0.03 0.02 0.02) = 21.151% kept HE3 LYS+ 60 - HA2 GLY 114 25.000% * 16.9362% (0.02 0.02 0.02) = 16.936% kept HB2 PHE 21 - HA2 GLY 114 25.000% * 16.9362% (0.02 0.02 0.02) = 16.936% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1408 (-0.01, 4.29, 45.18 ppm): 1 chemical-shift based assignment, quality = 0.0576, support = 0.02, residual support = 0.02: QG2 ILE 19 - HA2 GLY 114 100.000% *100.0000% (0.06 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.25 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 = 0.37, support = 1.57, residual support = 22.2: O T HB2 ARG+ 84 - HD3 ARG+ 84 7.143% * 67.6233% (0.45 10.0 10.00 1.59 28.69) = 67.623% kept O HB3 ARG+ 53 - HD2 ARG+ 53 7.143% * 27.7624% (0.21 10.0 1.00 1.75 10.04) = 27.762% kept T HB3 GLU- 18 - HD3 ARG+ 84 7.143% * 2.4939% (0.29 1.0 10.00 0.11 0.02) = 2.494% kept T HB3 GLU- 18 - HD2 ARG+ 53 7.143% * 1.3914% (0.21 1.0 10.00 0.09 0.02) = 1.391% kept T HB2 ARG+ 84 - HD2 ARG+ 53 7.143% * 0.4898% (0.32 1.0 10.00 0.02 0.02) = 0.490% HB VAL 94 - HD3 ARG+ 84 7.143% * 0.0663% (0.44 1.0 1.00 0.02 0.02) = 0.066% HB VAL 94 - HD2 ARG+ 53 7.143% * 0.0480% (0.32 1.0 1.00 0.02 0.02) = 0.048% HB3 ARG+ 53 - HD3 ARG+ 84 7.143% * 0.0437% (0.29 1.0 1.00 0.02 0.02) = 0.044% HB3 PRO 116 - HD3 ARG+ 84 7.143% * 0.0169% (0.11 1.0 1.00 0.02 0.02) = 0.017% HB3 GLU- 50 - HD3 ARG+ 84 7.143% * 0.0151% (0.10 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 31 - HD3 ARG+ 84 7.143% * 0.0151% (0.10 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 116 - HD2 ARG+ 53 7.143% * 0.0122% (0.08 1.0 1.00 0.02 0.02) = 0.012% HB3 GLU- 50 - HD2 ARG+ 53 7.143% * 0.0109% (0.07 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 31 - HD2 ARG+ 53 7.143% * 0.0109% (0.07 1.0 1.00 0.02 0.02) = 0.011% Peak 1419 (0.93, 3.17, 43.84 ppm): 30 chemical-shift based assignments, quality = 0.258, support = 0.396, residual support = 0.743: HG LEU 74 - HD3 ARG+ 84 3.333% * 30.6555% (0.35 0.62 2.19) = 30.656% kept QG2 VAL 62 - HD3 ARG+ 84 3.333% * 18.1882% (0.29 0.45 0.23) = 18.188% kept HG12 ILE 68 - HD3 ARG+ 84 3.333% * 9.5066% (0.24 0.27 0.02) = 9.507% kept QG1 VAL 47 - HD3 ARG+ 84 3.333% * 9.1440% (0.12 0.53 0.02) = 9.144% kept QD1 LEU 67 - HD3 ARG+ 84 3.333% * 7.9619% (0.15 0.37 0.27) = 7.962% kept HG13 ILE 68 - HD3 ARG+ 84 3.333% * 5.7626% (0.18 0.22 0.02) = 5.763% kept QG2 VAL 73 - HD3 ARG+ 84 3.333% * 5.3688% (0.49 0.08 0.02) = 5.369% kept QG2 VAL 87 - HD3 ARG+ 84 3.333% * 1.8595% (0.17 0.08 0.02) = 1.860% kept QD1 LEU 17 - HD3 ARG+ 84 3.333% * 1.3869% (0.49 0.02 0.11) = 1.387% kept QG1 VAL 105 - HD3 ARG+ 84 3.333% * 1.3414% (0.47 0.02 0.02) = 1.341% kept QG2 VAL 105 - HD3 ARG+ 84 3.333% * 1.3189% (0.11 0.09 0.02) = 1.319% kept HG12 ILE 29 - HD3 ARG+ 84 3.333% * 0.8755% (0.31 0.02 0.02) = 0.876% QG2 ILE 29 - HD3 ARG+ 84 3.333% * 0.6933% (0.24 0.02 0.02) = 0.693% QD1 LEU 17 - HD2 ARG+ 53 3.333% * 0.6444% (0.23 0.02 0.02) = 0.644% QG2 VAL 73 - HD2 ARG+ 53 3.333% * 0.6444% (0.23 0.02 0.02) = 0.644% QG1 VAL 105 - HD2 ARG+ 53 3.333% * 0.6233% (0.22 0.02 0.02) = 0.623% HG3 LYS+ 63 - HD3 ARG+ 84 3.333% * 0.5275% (0.18 0.02 0.02) = 0.527% HG LEU 74 - HD2 ARG+ 53 3.333% * 0.4575% (0.16 0.02 0.02) = 0.458% HG12 ILE 29 - HD2 ARG+ 53 3.333% * 0.4068% (0.14 0.02 0.02) = 0.407% QG2 VAL 62 - HD2 ARG+ 53 3.333% * 0.3780% (0.13 0.02 0.02) = 0.378% QG2 ILE 29 - HD2 ARG+ 53 3.333% * 0.3221% (0.11 0.02 0.02) = 0.322% HG12 ILE 68 - HD2 ARG+ 53 3.333% * 0.3221% (0.11 0.02 0.02) = 0.322% QG2 VAL 99 - HD3 ARG+ 84 3.333% * 0.2708% (0.09 0.02 0.02) = 0.271% HG3 LYS+ 63 - HD2 ARG+ 53 3.333% * 0.2451% (0.09 0.02 0.02) = 0.245% HG13 ILE 68 - HD2 ARG+ 53 3.333% * 0.2451% (0.09 0.02 0.02) = 0.245% QG2 VAL 87 - HD2 ARG+ 53 3.333% * 0.2218% (0.08 0.02 0.02) = 0.222% QD1 LEU 67 - HD2 ARG+ 53 3.333% * 0.1998% (0.07 0.02 0.02) = 0.200% QG1 VAL 47 - HD2 ARG+ 53 3.333% * 0.1600% (0.06 0.02 0.02) = 0.160% QG2 VAL 105 - HD2 ARG+ 53 3.333% * 0.1422% (0.05 0.02 0.02) = 0.142% QG2 VAL 99 - HD2 ARG+ 53 3.333% * 0.1258% (0.04 0.02 0.02) = 0.126% 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): 1 diagonal assignment: HD3 ARG+ 53 - HD3 ARG+ 53 (0.76) kept Peak 1438 (3.14, 3.14, 43.59 ppm): 1 diagonal assignment: HD2 ARG+ 53 - HD2 ARG+ 53 (0.87) kept Peak 1442 (1.78, 3.28, 43.42 ppm): 13 chemical-shift based assignments, quality = 0.623, support = 1.38, residual support = 9.82: O HB3 ARG+ 53 - HD3 ARG+ 53 7.692% * 97.8193% (0.64 10.0 1.42 10.04) = 97.819% kept HB2 ARG+ 84 - HD3 ARG+ 53 7.692% * 0.8699% (0.22 1.0 0.36 0.02) = 0.870% HB3 PRO 116 - HD3 ARG+ 53 7.692% * 0.1722% (0.79 1.0 0.02 0.02) = 0.172% HG2 PRO 31 - HD3 ARG+ 53 7.692% * 0.1711% (0.79 1.0 0.02 0.02) = 0.171% HB3 LYS+ 63 - HD3 ARG+ 53 7.692% * 0.1594% (0.73 1.0 0.02 0.02) = 0.159% HB3 GLU- 18 - HD3 ARG+ 53 7.692% * 0.1382% (0.64 1.0 0.02 0.02) = 0.138% HB2 LYS+ 117 - HD3 ARG+ 53 7.692% * 0.1319% (0.61 1.0 0.02 0.02) = 0.132% HB3 LYS+ 113 - HD3 ARG+ 53 7.692% * 0.1319% (0.61 1.0 0.02 0.02) = 0.132% HB3 LYS+ 108 - HD3 ARG+ 53 7.692% * 0.1253% (0.58 1.0 0.02 0.02) = 0.125% HB3 LYS+ 117 - HD3 ARG+ 53 7.692% * 0.1186% (0.55 1.0 0.02 0.02) = 0.119% HB3 LYS+ 44 - HD3 ARG+ 53 7.692% * 0.0977% (0.45 1.0 0.02 0.02) = 0.098% HB VAL 94 - HD3 ARG+ 53 7.692% * 0.0342% (0.16 1.0 0.02 0.02) = 0.034% HB2 GLU- 109 - HD3 ARG+ 53 7.692% * 0.0302% (0.14 1.0 0.02 0.02) = 0.030% Peak 1443 (0.75, 2.64, 43.40 ppm): 6 chemical-shift based assignments, quality = 0.193, support = 0.944, residual support = 2.29: HG3 LYS+ 44 - HA1 GLY 58 16.667% * 56.0012% (0.23 1.27 3.73) = 56.001% kept HG12 ILE 100 - HA1 GLY 58 16.667% * 17.2335% (0.13 0.69 0.83) = 17.234% kept QD1 ILE 68 - HA1 GLY 58 16.667% * 16.1816% (0.17 0.50 0.25) = 16.182% kept HG LEU 74 - HA1 GLY 58 16.667% * 6.1632% (0.06 0.52 0.33) = 6.163% kept HG3 LYS+ 66 - HA1 GLY 58 16.667% * 4.0444% (0.28 0.08 0.02) = 4.044% kept QG2 VAL 40 - HA1 GLY 58 16.667% * 0.3760% (0.10 0.02 0.02) = 0.376% Not enough quality. Peak unassigned. Peak 1444 (0.74, 2.46, 43.39 ppm): 6 chemical-shift based assignments, quality = 0.15, support = 0.885, residual support = 2.05: HG3 LYS+ 44 - HA1 GLY 58 16.667% * 49.9315% (0.15 1.27 3.73) = 49.931% kept QD1 ILE 68 - HA1 GLY 58 16.667% * 24.1603% (0.19 0.50 0.25) = 24.160% kept HG12 ILE 100 - HA1 GLY 58 16.667% * 13.3286% (0.08 0.69 0.83) = 13.329% kept HG LEU 74 - HA1 GLY 58 16.667% * 6.8093% (0.05 0.52 0.33) = 6.809% kept HG3 LYS+ 66 - HA1 GLY 58 16.667% * 5.1457% (0.26 0.08 0.02) = 5.146% kept QG2 VAL 40 - HA1 GLY 58 16.667% * 0.6246% (0.12 0.02 0.02) = 0.625% Not enough quality. Peak unassigned. Peak 1450 (9.04, 3.48, 42.73 ppm): 2 chemical-shift based assignments, quality = 0.442, support = 2.48, residual support = 6.99: O HN GLY 30 - HA1 GLY 30 50.000% * 99.5656% (0.44 10.0 2.49 7.02) = 99.566% kept HN THR 79 - HA1 GLY 30 50.000% * 0.4344% (0.48 1.0 0.08 0.02) = 0.434% Peak 1451 (8.25, 2.79, 42.86 ppm): 14 chemical-shift based assignments, quality = 0.212, support = 2.19, residual support = 11.6: O HN GLY 58 - HA1 GLY 58 7.143% * 57.6055% (0.22 10.0 2.86 11.91) = 57.606% kept O HN GLY 58 - HA2 GLY 58 7.143% * 39.5084% (0.22 10.0 1.38 11.91) = 39.508% kept HN LEU 67 - HA1 GLY 58 7.143% * 0.8898% (0.27 1.0 0.25 0.02) = 0.890% HN SER 49 - HA1 GLY 58 7.143% * 0.8010% (0.15 1.0 0.40 0.02) = 0.801% HN ASN 89 - HA1 GLY 58 7.143% * 0.4338% (0.14 1.0 0.24 0.02) = 0.434% HN THR 106 - HA1 GLY 58 7.143% * 0.1183% (0.45 1.0 0.02 0.02) = 0.118% HN THR 106 - HA2 GLY 58 7.143% * 0.1178% (0.45 1.0 0.02 0.02) = 0.118% HN ASP- 115 - HA1 GLY 58 7.143% * 0.1173% (0.45 1.0 0.02 0.02) = 0.117% HN ASP- 115 - HA2 GLY 58 7.143% * 0.1168% (0.44 1.0 0.02 0.02) = 0.117% HN LYS+ 81 - HA1 GLY 58 7.143% * 0.0718% (0.27 1.0 0.02 0.02) = 0.072% HN LEU 67 - HA2 GLY 58 7.143% * 0.0715% (0.27 1.0 0.02 0.02) = 0.071% HN LYS+ 81 - HA2 GLY 58 7.143% * 0.0715% (0.27 1.0 0.02 0.02) = 0.071% HN SER 49 - HA2 GLY 58 7.143% * 0.0402% (0.15 1.0 0.02 0.02) = 0.040% HN ASN 89 - HA2 GLY 58 7.143% * 0.0364% (0.14 1.0 0.02 0.02) = 0.036% Peak 1452 (8.25, 2.22, 42.86 ppm): 7 chemical-shift based assignments, quality = 0.1, support = 2.76, residual support = 11.5: O HN GLY 58 - HA1 GLY 58 14.286% * 96.2142% (0.10 10.0 2.86 11.91) = 96.214% kept HN LEU 67 - HA1 GLY 58 14.286% * 1.4471% (0.12 1.0 0.25 0.02) = 1.447% kept HN SER 49 - HA1 GLY 58 14.286% * 1.3862% (0.07 1.0 0.40 0.02) = 1.386% kept HN ASN 89 - HA1 GLY 58 14.286% * 0.5033% (0.04 1.0 0.24 0.02) = 0.503% HN THR 106 - HA1 GLY 58 14.286% * 0.1684% (0.18 1.0 0.02 0.02) = 0.168% HN ASP- 115 - HA1 GLY 58 14.286% * 0.1640% (0.17 1.0 0.02 0.02) = 0.164% HN LYS+ 81 - HA1 GLY 58 14.286% * 0.1167% (0.12 1.0 0.02 0.02) = 0.117% Peak 1454 (7.33, 2.60, 42.79 ppm): 12 chemical-shift based assignments, quality = 0.568, support = 3.12, residual support = 42.6: O QD PHE 34 - HB2 PHE 34 8.333% * 72.3134% (0.54 10.0 3.54 44.73) = 72.313% kept QE PHE 34 - HB2 PHE 34 8.333% * 13.0239% (0.74 1.0 2.62 44.73) = 13.024% kept HZ PHE 34 - HB2 PHE 34 8.333% * 9.7290% (0.74 1.0 1.95 44.73) = 9.729% kept HZ2 TRP 51 - HA1 GLY 58 8.333% * 2.2380% (0.31 1.0 1.07 3.68) = 2.238% kept HZ PHE 34 - HA1 GLY 58 8.333% * 0.8988% (0.31 1.0 0.43 0.10) = 0.899% QE PHE 34 - HA1 GLY 58 8.333% * 0.8676% (0.31 1.0 0.42 0.10) = 0.868% QD PHE 34 - HA1 GLY 58 8.333% * 0.6527% (0.23 1.0 0.43 0.10) = 0.653% HZ2 TRP 51 - HB2 PHE 34 8.333% * 0.0996% (0.74 1.0 0.02 0.02) = 0.100% HN VAL 47 - HB2 PHE 34 8.333% * 0.0644% (0.48 1.0 0.02 0.02) = 0.064% HN ARG+ 84 - HB2 PHE 34 8.333% * 0.0604% (0.45 1.0 0.02 0.02) = 0.060% HN VAL 47 - HA1 GLY 58 8.333% * 0.0270% (0.20 1.0 0.02 0.02) = 0.027% HN ARG+ 84 - HA1 GLY 58 8.333% * 0.0253% (0.19 1.0 0.02 0.02) = 0.025% Peak 1455 (4.98, 3.48, 42.75 ppm): 2 chemical-shift based assignments, quality = 0.263, support = 0.774, residual support = 0.643: HA ILE 68 - HA1 GLY 30 50.000% * 87.5526% (0.29 0.83 0.73) = 87.553% kept HA PHE 34 - HA1 GLY 30 50.000% * 12.4474% (0.09 0.37 0.02) = 12.447% kept Peak 1456 (4.73, 3.48, 42.75 ppm): 4 chemical-shift based assignments, quality = 0.367, support = 2.63, residual support = 8.32: O HA PRO 31 - HA1 GLY 30 25.000% * 62.9754% (0.43 10.0 2.65 9.09) = 62.975% kept O HA2 GLY 30 - HA1 GLY 30 25.000% * 36.9443% (0.25 10.0 2.60 7.02) = 36.944% kept HA MET 118 - HA1 GLY 30 25.000% * 0.0434% (0.30 1.0 0.02 0.02) = 0.043% HA VAL 40 - HA1 GLY 30 25.000% * 0.0369% (0.25 1.0 0.02 0.02) = 0.037% Peak 1458 (3.17, 2.60, 42.85 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.10) kept Peak 1459 (2.80, 2.22, 42.87 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.17) kept Peak 1461 (2.60, 2.43, 42.85 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.36) kept Peak 1464 (2.44, 2.59, 42.78 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.23) kept Peak 1466 (2.22, 2.79, 42.91 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.21) kept Peak 1467 (2.23, 2.22, 42.86 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.07) kept Peak 1469 (1.85, 2.23, 42.87 ppm): 8 chemical-shift based assignments, quality = 0.156, support = 1.02, residual support = 1.59: HB2 PRO 104 - HA1 GLY 58 12.500% * 58.2429% (0.20 1.37 2.69) = 58.243% kept HG3 PRO 112 - HA1 GLY 58 12.500% * 16.8741% (0.11 0.70 0.12) = 16.874% kept HB3 PRO 59 - HA1 GLY 58 12.500% * 8.7913% (0.11 0.37 0.02) = 8.791% kept HB3 ARG+ 84 - HA1 GLY 58 12.500% * 6.8673% (0.05 0.65 0.02) = 6.867% kept HB2 PRO 59 - HA1 GLY 58 12.500% * 5.8279% (0.07 0.37 0.02) = 5.828% kept HB2 LYS+ 66 - HA1 GLY 58 12.500% * 2.3640% (0.14 0.08 0.02) = 2.364% kept HB3 LYS+ 72 - HA1 GLY 58 12.500% * 0.8431% (0.20 0.02 0.02) = 0.843% HG3 LYS+ 120 - HA1 GLY 58 12.500% * 0.1894% (0.04 0.02 0.02) = 0.189% Not enough quality. Peak unassigned. Peak 1470 (1.80, 2.79, 42.90 ppm): 26 chemical-shift based assignments, quality = 0.284, support = 0.877, residual support = 1.52: T HB3 GLU- 18 - HA1 GLY 58 3.846% * 60.6569% (0.19 10.00 1.07 1.44) = 60.657% kept HB3 LYS+ 44 - HA1 GLY 58 3.846% * 16.2907% (0.55 1.00 1.02 3.73) = 16.291% kept HB3 LYS+ 63 - HA1 GLY 58 3.846% * 5.9458% (0.52 1.00 0.39 0.02) = 5.946% kept HB3 LYS+ 113 - HA1 GLY 58 3.846% * 3.6706% (0.57 1.00 0.22 0.02) = 3.671% kept HG2 PRO 31 - HA1 GLY 58 3.846% * 2.7947% (0.46 1.00 0.21 0.02) = 2.795% kept HB3 GLU- 18 - HA2 GLY 58 3.846% * 2.6777% (0.17 1.00 0.54 1.44) = 2.678% kept HB3 ARG+ 53 - HA1 GLY 58 3.846% * 2.3020% (0.19 1.00 0.41 0.02) = 2.302% kept T HD3 LYS+ 72 - HA1 GLY 58 3.846% * 1.4886% (0.25 10.00 0.02 0.02) = 1.489% kept HB3 LYS+ 108 - HA1 GLY 58 3.846% * 0.3320% (0.57 1.00 0.02 0.02) = 0.332% HB2 LYS+ 117 - HA1 GLY 58 3.846% * 0.3313% (0.57 1.00 0.02 0.02) = 0.331% HB3 LYS+ 117 - HA1 GLY 58 3.846% * 0.3313% (0.57 1.00 0.02 0.02) = 0.331% HB3 LYS+ 108 - HA2 GLY 58 3.846% * 0.2912% (0.50 1.00 0.02 0.02) = 0.291% HB3 LYS+ 113 - HA2 GLY 58 3.846% * 0.2906% (0.50 1.00 0.02 0.02) = 0.291% HB2 LYS+ 117 - HA2 GLY 58 3.846% * 0.2906% (0.50 1.00 0.02 0.02) = 0.291% HB3 LYS+ 117 - HA2 GLY 58 3.846% * 0.2906% (0.50 1.00 0.02 0.02) = 0.291% HB3 LYS+ 44 - HA2 GLY 58 3.846% * 0.2811% (0.48 1.00 0.02 3.73) = 0.281% HB3 LYS+ 63 - HA2 GLY 58 3.846% * 0.2688% (0.46 1.00 0.02 0.02) = 0.269% HB3 PRO 116 - HA1 GLY 58 3.846% * 0.2537% (0.43 1.00 0.02 0.02) = 0.254% HG2 PRO 31 - HA2 GLY 58 3.846% * 0.2332% (0.40 1.00 0.02 0.02) = 0.233% HB3 PRO 116 - HA2 GLY 58 3.846% * 0.2226% (0.38 1.00 0.02 0.02) = 0.223% HB2 GLU- 109 - HA1 GLY 58 3.846% * 0.1880% (0.32 1.00 0.02 0.02) = 0.188% HB2 GLU- 109 - HA2 GLY 58 3.846% * 0.1649% (0.28 1.00 0.02 0.02) = 0.165% HD3 LYS+ 72 - HA2 GLY 58 3.846% * 0.1306% (0.22 1.00 0.02 0.02) = 0.131% HB3 ARG+ 53 - HA2 GLY 58 3.846% * 0.0993% (0.17 1.00 0.02 0.02) = 0.099% HD3 LYS+ 117 - HA1 GLY 58 3.846% * 0.0923% (0.16 1.00 0.02 0.02) = 0.092% HD3 LYS+ 117 - HA2 GLY 58 3.846% * 0.0810% (0.14 1.00 0.02 0.02) = 0.081% Peak 1472 (8.30, 1.56, 42.51 ppm): 6 chemical-shift based assignments, quality = 0.802, support = 2.47, residual support = 8.04: HN ALA 91 - HB3 LEU 90 16.667% * 72.4475% (0.93 2.97 10.26) = 72.447% kept HN VAL 99 - HB3 LEU 90 16.667% * 14.3749% (0.60 0.91 0.10) = 14.375% kept HN ASN 89 - HB3 LEU 90 16.667% * 12.5644% (0.32 1.51 4.70) = 12.564% kept HN ASP- 28 - HB3 LEU 90 16.667% * 0.3542% (0.68 0.02 0.02) = 0.354% HN ASN 76 - HB3 LEU 90 16.667% * 0.1505% (0.29 0.02 0.02) = 0.151% HN GLY 114 - HB3 LEU 90 16.667% * 0.1086% (0.21 0.02 0.02) = 0.109% 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): 12 chemical-shift based assignments, quality = 0.86, support = 2.47, residual support = 7.82: O HA LEU 90 - HB3 LEU 90 8.333% * 96.2241% (0.88 10.0 2.52 7.78) = 96.224% kept HA ALA 91 - HB3 LEU 90 8.333% * 3.3147% (0.46 1.0 1.31 10.26) = 3.315% kept HA THR 106 - HB3 LEU 90 8.333% * 0.0912% (0.83 1.0 0.02 0.02) = 0.091% HA PRO 104 - HB3 LEU 90 8.333% * 0.0737% (0.67 1.0 0.02 0.02) = 0.074% HA SER 85 - HB3 LEU 90 8.333% * 0.0469% (0.43 1.0 0.02 0.02) = 0.047% HA PRO 52 - HB3 LEU 90 8.333% * 0.0469% (0.43 1.0 0.02 0.02) = 0.047% HD3 PRO 59 - HB3 LEU 90 8.333% * 0.0469% (0.43 1.0 0.02 0.02) = 0.047% HA ILE 29 - HB3 LEU 90 8.333% * 0.0432% (0.39 1.0 0.02 0.02) = 0.043% HA VAL 65 - HB3 LEU 90 8.333% * 0.0396% (0.36 1.0 0.02 0.02) = 0.040% HA ARG+ 84 - HB3 LEU 90 8.333% * 0.0362% (0.33 1.0 0.02 0.46) = 0.036% HA PRO 112 - HB3 LEU 90 8.333% * 0.0215% (0.20 1.0 0.02 0.02) = 0.021% HA GLU- 75 - HB3 LEU 90 8.333% * 0.0149% (0.14 1.0 0.02 0.32) = 0.015% Peak 1480 (3.13, 3.12, 42.46 ppm): 4 diagonal assignments: HE3 LYS+ 108 - HE3 LYS+ 108 (0.93) kept HE3 LYS+ 81 - HE3 LYS+ 81 (0.93) kept HE3 LYS+ 117 - HE3 LYS+ 117 (0.81) kept HE3 LYS+ 72 - HE3 LYS+ 72 (0.78) kept Peak 1486 (2.99, 2.98, 42.50 ppm): 2 diagonal assignments: HE3 LYS+ 113 - HE3 LYS+ 113 (0.68) kept HE2 LYS+ 117 - HE2 LYS+ 117 (0.56) kept Peak 1488 (2.90, 1.57, 42.39 ppm): 8 chemical-shift based assignments, quality = 0.423, support = 1.12, residual support = 0.794: HB2 HIS+ 98 - HB3 LEU 90 12.500% * 53.9236% (0.59 1.29 0.60) = 53.924% kept HB2 HIS+ 98 - HB ILE 19 12.500% * 20.1002% (0.22 1.32 0.93) = 20.100% kept HA1 GLY 58 - HB3 LEU 90 12.500% * 10.8467% (0.41 0.37 0.14) = 10.847% kept HA1 GLY 58 - HB ILE 19 12.500% * 9.2277% (0.15 0.86 0.76) = 9.228% kept HG3 MET 97 - HB3 LEU 90 12.500% * 2.6999% (0.09 0.42 0.02) = 2.700% kept HG3 MET 97 - HB ILE 19 12.500% * 2.5781% (0.03 1.09 7.56) = 2.578% kept HE3 LYS+ 60 - HB ILE 19 12.500% * 0.4576% (0.04 0.15 0.02) = 0.458% HE3 LYS+ 60 - HB3 LEU 90 12.500% * 0.1661% (0.12 0.02 0.02) = 0.166% Peak 1496 (2.44, 2.43, 42.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1499 (1.82, 3.12, 42.45 ppm): 48 chemical-shift based assignments, quality = 0.724, support = 1.28, residual support = 32.5: O T HD3 LYS+ 72 - HE3 LYS+ 72 2.083% * 59.3929% (0.72 10.0 10.00 1.54 34.75) = 59.393% kept O HD3 LYS+ 117 - HE3 LYS+ 117 2.083% * 34.9408% (0.84 10.0 1.00 1.00 32.78) = 34.941% kept HB3 LYS+ 117 - HE3 LYS+ 117 2.083% * 1.3614% (0.24 1.0 1.00 1.40 32.78) = 1.361% kept HB3 LYS+ 108 - HE3 LYS+ 108 2.083% * 0.7387% (0.24 1.0 1.00 0.75 17.62) = 0.739% T HD3 LYS+ 72 - HE3 LYS+ 108 2.083% * 0.7292% (0.88 1.0 10.00 0.02 0.02) = 0.729% T HD3 LYS+ 72 - HE3 LYS+ 81 2.083% * 0.7076% (0.85 1.0 10.00 0.02 0.31) = 0.708% T HD3 LYS+ 72 - HE3 LYS+ 117 2.083% * 0.6465% (0.78 1.0 10.00 0.02 0.02) = 0.647% HD3 LYS+ 117 - HE3 LYS+ 108 2.083% * 0.0788% (0.95 1.0 1.00 0.02 0.39) = 0.079% HD3 LYS+ 117 - HE3 LYS+ 81 2.083% * 0.0765% (0.92 1.0 1.00 0.02 0.02) = 0.076% HB2 GLU- 109 - HE3 LYS+ 108 2.083% * 0.0660% (0.80 1.0 1.00 0.02 2.25) = 0.066% HD3 LYS+ 117 - HE3 LYS+ 72 2.083% * 0.0642% (0.78 1.0 1.00 0.02 0.02) = 0.064% HB2 GLU- 109 - HE3 LYS+ 81 2.083% * 0.0640% (0.77 1.0 1.00 0.02 0.02) = 0.064% HB2 PRO 59 - HE3 LYS+ 108 2.083% * 0.0604% (0.73 1.0 1.00 0.02 0.02) = 0.060% HB2 PRO 59 - HE3 LYS+ 81 2.083% * 0.0586% (0.71 1.0 1.00 0.02 0.02) = 0.059% HB2 GLU- 109 - HE3 LYS+ 117 2.083% * 0.0585% (0.71 1.0 1.00 0.02 0.02) = 0.058% HB2 GLU- 109 - HE3 LYS+ 72 2.083% * 0.0537% (0.65 1.0 1.00 0.02 0.02) = 0.054% HB2 PRO 59 - HE3 LYS+ 117 2.083% * 0.0535% (0.65 1.0 1.00 0.02 0.02) = 0.054% HB2 PRO 59 - HE3 LYS+ 72 2.083% * 0.0492% (0.59 1.0 1.00 0.02 0.02) = 0.049% HG3 PRO 112 - HE3 LYS+ 108 2.083% * 0.0447% (0.54 1.0 1.00 0.02 0.02) = 0.045% HB3 PRO 59 - HE3 LYS+ 108 2.083% * 0.0447% (0.54 1.0 1.00 0.02 0.02) = 0.045% HG3 PRO 112 - HE3 LYS+ 81 2.083% * 0.0434% (0.52 1.0 1.00 0.02 0.02) = 0.043% HB3 PRO 59 - HE3 LYS+ 81 2.083% * 0.0434% (0.52 1.0 1.00 0.02 0.02) = 0.043% HB3 PRO 59 - HE3 LYS+ 117 2.083% * 0.0397% (0.48 1.0 1.00 0.02 0.02) = 0.040% HG3 PRO 112 - HE3 LYS+ 117 2.083% * 0.0397% (0.48 1.0 1.00 0.02 0.02) = 0.040% HB3 PRO 59 - HE3 LYS+ 72 2.083% * 0.0364% (0.44 1.0 1.00 0.02 0.02) = 0.036% HG3 PRO 112 - HE3 LYS+ 72 2.083% * 0.0364% (0.44 1.0 1.00 0.02 0.02) = 0.036% HB2 LYS+ 66 - HE3 LYS+ 108 2.083% * 0.0325% (0.39 1.0 1.00 0.02 0.02) = 0.032% HB2 LYS+ 66 - HE3 LYS+ 81 2.083% * 0.0315% (0.38 1.0 1.00 0.02 0.02) = 0.032% HB3 LYS+ 44 - HE3 LYS+ 108 2.083% * 0.0296% (0.36 1.0 1.00 0.02 0.02) = 0.030% HB2 LYS+ 66 - HE3 LYS+ 117 2.083% * 0.0288% (0.35 1.0 1.00 0.02 0.02) = 0.029% HB3 LYS+ 44 - HE3 LYS+ 81 2.083% * 0.0288% (0.35 1.0 1.00 0.02 0.02) = 0.029% HB2 LYS+ 66 - HE3 LYS+ 72 2.083% * 0.0265% (0.32 1.0 1.00 0.02 0.02) = 0.026% HB3 LYS+ 44 - HE3 LYS+ 117 2.083% * 0.0263% (0.32 1.0 1.00 0.02 0.02) = 0.026% HB3 LYS+ 44 - HE3 LYS+ 72 2.083% * 0.0241% (0.29 1.0 1.00 0.02 0.02) = 0.024% HB3 LYS+ 117 - HE3 LYS+ 108 2.083% * 0.0220% (0.27 1.0 1.00 0.02 0.39) = 0.022% HB3 LYS+ 117 - HE3 LYS+ 81 2.083% * 0.0213% (0.26 1.0 1.00 0.02 0.02) = 0.021% HB3 LYS+ 108 - HE3 LYS+ 81 2.083% * 0.0191% (0.23 1.0 1.00 0.02 0.02) = 0.019% HB3 LYS+ 117 - HE3 LYS+ 72 2.083% * 0.0179% (0.22 1.0 1.00 0.02 0.02) = 0.018% HB2 LYS+ 117 - HE3 LYS+ 108 2.083% * 0.0176% (0.21 1.0 1.00 0.02 0.39) = 0.018% HB3 LYS+ 113 - HE3 LYS+ 108 2.083% * 0.0176% (0.21 1.0 1.00 0.02 0.02) = 0.018% HB3 LYS+ 108 - HE3 LYS+ 117 2.083% * 0.0175% (0.21 1.0 1.00 0.02 0.39) = 0.017% HB3 LYS+ 113 - HE3 LYS+ 81 2.083% * 0.0171% (0.21 1.0 1.00 0.02 0.02) = 0.017% HB2 LYS+ 117 - HE3 LYS+ 81 2.083% * 0.0171% (0.21 1.0 1.00 0.02 0.02) = 0.017% HB3 LYS+ 108 - HE3 LYS+ 72 2.083% * 0.0160% (0.19 1.0 1.00 0.02 0.02) = 0.016% HB2 LYS+ 117 - HE3 LYS+ 117 2.083% * 0.0156% (0.19 1.0 1.00 0.02 32.78) = 0.016% HB3 LYS+ 113 - HE3 LYS+ 117 2.083% * 0.0156% (0.19 1.0 1.00 0.02 0.02) = 0.016% HB2 LYS+ 117 - HE3 LYS+ 72 2.083% * 0.0143% (0.17 1.0 1.00 0.02 0.02) = 0.014% HB3 LYS+ 113 - HE3 LYS+ 72 2.083% * 0.0143% (0.17 1.0 1.00 0.02 0.02) = 0.014% Peak 1500 (1.80, 2.92, 42.39 ppm): 13 chemical-shift based assignments, quality = 0.598, support = 0.626, residual support = 0.231: HB2 LYS+ 117 - HE3 LYS+ 60 7.692% * 50.3411% (0.77 0.73 0.29) = 50.341% kept HD3 LYS+ 117 - HE3 LYS+ 60 7.692% * 25.0683% (0.33 0.84 0.29) = 25.068% kept HB3 PRO 116 - HE3 LYS+ 60 7.692% * 14.2324% (0.49 0.32 0.02) = 14.232% kept HB3 LYS+ 44 - HE3 LYS+ 60 7.692% * 1.4555% (0.81 0.02 0.02) = 1.455% kept HB3 LYS+ 117 - HE3 LYS+ 60 7.692% * 1.4266% (0.80 0.02 0.29) = 1.427% kept HB3 LYS+ 108 - HE3 LYS+ 60 7.692% * 1.4046% (0.78 0.02 0.02) = 1.405% kept HB3 LYS+ 113 - HE3 LYS+ 60 7.692% * 1.3768% (0.77 0.02 0.02) = 1.377% kept HB3 LYS+ 63 - HE3 LYS+ 60 7.692% * 1.1654% (0.65 0.02 0.41) = 1.165% kept HB2 GLU- 109 - HE3 LYS+ 60 7.692% * 1.0569% (0.59 0.02 0.02) = 1.057% kept HG2 PRO 31 - HE3 LYS+ 60 7.692% * 0.9415% (0.52 0.02 0.02) = 0.942% HD3 LYS+ 72 - HE3 LYS+ 60 7.692% * 0.8828% (0.49 0.02 0.02) = 0.883% HB3 GLU- 18 - HE3 LYS+ 60 7.692% * 0.3240% (0.18 0.02 0.02) = 0.324% HB3 ARG+ 53 - HE3 LYS+ 60 7.692% * 0.3240% (0.18 0.02 0.02) = 0.324% Peak 1503 (1.58, 2.90, 42.39 ppm): 11 chemical-shift based assignments, quality = 0.327, support = 1.01, residual support = 13.9: O T HD3 LYS+ 60 - HE3 LYS+ 60 9.091% * 54.5902% (0.30 10.0 10.00 1.00 14.74) = 54.590% kept O HG3 LYS+ 60 - HE3 LYS+ 60 9.091% * 39.6427% (0.37 10.0 1.00 1.15 14.74) = 39.643% kept T HB ILE 19 - HE3 LYS+ 60 9.091% * 4.9359% (0.35 1.0 10.00 0.15 0.02) = 4.936% kept T HD3 LYS+ 32 - HE3 LYS+ 60 9.091% * 0.4035% (0.22 1.0 10.00 0.02 0.02) = 0.404% T HB3 LEU 90 - HE3 LYS+ 60 9.091% * 0.2004% (0.11 1.0 10.00 0.02 0.02) = 0.200% HB3 LYS+ 32 - HE3 LYS+ 60 9.091% * 0.0831% (0.45 1.0 1.00 0.02 0.02) = 0.083% HG LEU 17 - HE3 LYS+ 60 9.091% * 0.0618% (0.34 1.0 1.00 0.02 0.02) = 0.062% HB3 LEU 17 - HE3 LYS+ 60 9.091% * 0.0307% (0.17 1.0 1.00 0.02 0.02) = 0.031% HG3 LYS+ 110 - HE3 LYS+ 60 9.091% * 0.0200% (0.11 1.0 1.00 0.02 0.02) = 0.020% HG2 LYS+ 110 - HE3 LYS+ 60 9.091% * 0.0178% (0.10 1.0 1.00 0.02 0.02) = 0.018% HG13 ILE 29 - HE3 LYS+ 60 9.091% * 0.0139% (0.08 1.0 1.00 0.02 0.02) = 0.014% Peak 1506 (1.56, 1.55, 42.48 ppm): 1 diagonal assignment: HB3 LEU 90 - HB3 LEU 90 (0.90) kept Peak 1508 (1.49, 3.13, 42.43 ppm): 28 chemical-shift based assignments, quality = 0.436, support = 1.27, residual support = 24.3: O HD3 LYS+ 108 - HE3 LYS+ 108 3.571% * 43.1266% (0.59 10.0 1.00 1.00 17.62) = 43.127% kept O T HG3 LYS+ 72 - HE3 LYS+ 72 3.571% * 40.6028% (0.28 10.0 10.00 1.51 34.75) = 40.603% kept HB2 LYS+ 72 - HE3 LYS+ 72 3.571% * 7.4506% (0.36 1.0 1.00 2.83 34.75) = 7.451% kept QB ALA 70 - HE3 LYS+ 72 3.571% * 2.5133% (0.70 1.0 1.00 0.49 1.45) = 2.513% kept T HG3 LYS+ 72 - HE3 LYS+ 81 3.571% * 2.1277% (0.34 1.0 10.00 0.09 0.31) = 2.128% kept QB ALA 70 - HE3 LYS+ 108 3.571% * 2.0750% (0.92 1.0 1.00 0.31 0.02) = 2.075% kept T HG3 LYS+ 72 - HE3 LYS+ 108 3.571% * 0.5337% (0.36 1.0 10.00 0.02 0.02) = 0.534% T HG3 LYS+ 72 - HE3 LYS+ 117 3.571% * 0.4918% (0.34 1.0 10.00 0.02 0.02) = 0.492% QB ALA 70 - HE3 LYS+ 81 3.571% * 0.1242% (0.85 1.0 1.00 0.02 0.02) = 0.124% QB ALA 70 - HE3 LYS+ 117 3.571% * 0.1240% (0.84 1.0 1.00 0.02 0.02) = 0.124% HD3 LYS+ 108 - HE3 LYS+ 81 3.571% * 0.0796% (0.54 1.0 1.00 0.02 0.02) = 0.080% HD3 LYS+ 108 - HE3 LYS+ 117 3.571% * 0.0795% (0.54 1.0 1.00 0.02 0.39) = 0.079% HB2 LYS+ 72 - HE3 LYS+ 108 3.571% * 0.0692% (0.47 1.0 1.00 0.02 0.02) = 0.069% HD3 LYS+ 108 - HE3 LYS+ 72 3.571% * 0.0656% (0.45 1.0 1.00 0.02 0.02) = 0.066% HB2 LYS+ 72 - HE3 LYS+ 81 3.571% * 0.0639% (0.44 1.0 1.00 0.02 0.31) = 0.064% HB2 LYS+ 72 - HE3 LYS+ 117 3.571% * 0.0638% (0.43 1.0 1.00 0.02 0.02) = 0.064% HB3 LEU 67 - HE3 LYS+ 108 3.571% * 0.0585% (0.40 1.0 1.00 0.02 0.02) = 0.058% HB3 LEU 67 - HE3 LYS+ 81 3.571% * 0.0540% (0.37 1.0 1.00 0.02 0.02) = 0.054% HB3 LEU 67 - HE3 LYS+ 117 3.571% * 0.0539% (0.37 1.0 1.00 0.02 0.02) = 0.054% HB3 LEU 67 - HE3 LYS+ 72 3.571% * 0.0445% (0.30 1.0 1.00 0.02 0.02) = 0.044% HG LEU 74 - HE3 LYS+ 108 3.571% * 0.0329% (0.22 1.0 1.00 0.02 0.02) = 0.033% HG LEU 74 - HE3 LYS+ 81 3.571% * 0.0304% (0.21 1.0 1.00 0.02 2.21) = 0.030% HG LEU 74 - HE3 LYS+ 117 3.571% * 0.0304% (0.21 1.0 1.00 0.02 0.02) = 0.030% HG LEU 74 - HE3 LYS+ 72 3.571% * 0.0251% (0.17 1.0 1.00 0.02 0.11) = 0.025% HG LEU 43 - HE3 LYS+ 108 3.571% * 0.0219% (0.15 1.0 1.00 0.02 0.02) = 0.022% HG LEU 43 - HE3 LYS+ 81 3.571% * 0.0203% (0.14 1.0 1.00 0.02 0.02) = 0.020% HG LEU 43 - HE3 LYS+ 117 3.571% * 0.0202% (0.14 1.0 1.00 0.02 0.02) = 0.020% HG LEU 43 - HE3 LYS+ 72 3.571% * 0.0167% (0.11 1.0 1.00 0.02 0.02) = 0.017% Peak 1510 (1.36, 2.90, 42.39 ppm): 8 chemical-shift based assignments, quality = 0.435, support = 0.462, residual support = 0.169: HG3 ARG+ 22 - HE3 LYS+ 60 12.500% * 43.5046% (0.45 0.59 0.20) = 43.505% kept HB3 LYS+ 20 - HE3 LYS+ 60 12.500% * 37.3963% (0.46 0.50 0.20) = 37.396% kept HG13 ILE 19 - HE3 LYS+ 60 12.500% * 10.9870% (0.44 0.15 0.02) = 10.987% kept HG LEU 74 - HE3 LYS+ 60 12.500% * 4.0831% (0.25 0.10 0.14) = 4.083% kept QB ALA 91 - HE3 LYS+ 60 12.500% * 1.5345% (0.46 0.02 0.02) = 1.535% kept HG2 LYS+ 78 - HE3 LYS+ 60 12.500% * 1.0564% (0.32 0.02 0.02) = 1.056% kept QG2 THR 39 - HE3 LYS+ 60 12.500% * 0.7486% (0.23 0.02 0.02) = 0.749% HB2 LEU 17 - HE3 LYS+ 60 12.500% * 0.6895% (0.21 0.02 0.02) = 0.689% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 1513 (8.97, 1.57, 42.16 ppm): 8 chemical-shift based assignments, quality = 0.605, support = 3.6, residual support = 10.5: HN MET 97 - HB ILE 19 12.500% * 66.6721% (0.78 3.82 7.56) = 66.672% kept HN THR 96 - HB ILE 19 12.500% * 23.4119% (0.25 4.11 23.07) = 23.412% kept HN ARG+ 22 - HB ILE 19 12.500% * 5.0884% (0.31 0.74 0.13) = 5.088% kept HN PHE 21 - HB ILE 19 12.500% * 4.7657% (0.18 1.16 0.24) = 4.766% kept HN MET 97 - HB3 LEU 23 12.500% * 0.0316% (0.07 0.02 0.10) = 0.032% HN ARG+ 22 - HB3 LEU 23 12.500% * 0.0125% (0.03 0.02 4.42) = 0.013% HN THR 96 - HB3 LEU 23 12.500% * 0.0103% (0.02 0.02 0.02) = 0.010% HN PHE 21 - HB3 LEU 23 12.500% * 0.0074% (0.02 0.02 0.35) = 0.007% Peak 1514 (7.34, 1.57, 42.17 ppm): 21 chemical-shift based assignments, quality = 0.534, support = 3.25, residual support = 25.1: QE PHE 34 - HB ILE 19 4.762% * 49.8201% (0.63 3.76 25.39) = 49.820% kept HZ PHE 34 - HB ILE 19 4.762% * 25.8867% (0.63 1.96 25.39) = 25.887% kept QD PHE 34 - HB ILE 19 4.762% * 21.9451% (0.27 3.89 25.39) = 21.945% kept HZ2 TRP 51 - HB3 LEU 23 4.762% * 1.5085% (0.06 1.28 21.60) = 1.508% kept HZ2 TRP 51 - HB ILE 19 4.762% * 0.2647% (0.63 0.02 0.02) = 0.265% HE22 GLN 102 - HB ILE 19 4.762% * 0.1128% (0.27 0.02 0.02) = 0.113% HN VAL 47 - HB ILE 19 4.762% * 0.0919% (0.22 0.02 0.02) = 0.092% HN ARG+ 84 - HB ILE 19 4.762% * 0.0824% (0.20 0.02 0.02) = 0.082% HZ2 TRP 51 - HB3 LEU 90 4.762% * 0.0454% (0.11 0.02 0.02) = 0.045% QE PHE 34 - HB3 LEU 90 4.762% * 0.0454% (0.11 0.02 0.02) = 0.045% HZ PHE 34 - HB3 LEU 90 4.762% * 0.0454% (0.11 0.02 0.02) = 0.045% QE PHE 34 - HB3 LEU 23 4.762% * 0.0236% (0.06 0.02 0.16) = 0.024% HZ PHE 34 - HB3 LEU 23 4.762% * 0.0236% (0.06 0.02 0.16) = 0.024% HE22 GLN 102 - HB3 LEU 90 4.762% * 0.0194% (0.05 0.02 0.02) = 0.019% QD PHE 34 - HB3 LEU 90 4.762% * 0.0194% (0.05 0.02 0.02) = 0.019% HN VAL 47 - HB3 LEU 90 4.762% * 0.0158% (0.04 0.02 0.02) = 0.016% HN ARG+ 84 - HB3 LEU 90 4.762% * 0.0141% (0.03 0.02 0.46) = 0.014% QD PHE 34 - HB3 LEU 23 4.762% * 0.0100% (0.02 0.02 0.16) = 0.010% HE22 GLN 102 - HB3 LEU 23 4.762% * 0.0100% (0.02 0.02 0.73) = 0.010% HN VAL 47 - HB3 LEU 23 4.762% * 0.0082% (0.02 0.02 0.02) = 0.008% HN ARG+ 84 - HB3 LEU 23 4.762% * 0.0073% (0.02 0.02 1.01) = 0.007% Peak 1522 (4.81, 1.56, 42.22 ppm): 6 chemical-shift based assignments, quality = 0.49, support = 1.78, residual support = 5.82: HA MET 97 - HB ILE 19 16.667% * 76.8799% (0.55 2.18 7.56) = 76.880% kept HA MET 97 - HB3 LEU 90 16.667% * 7.6978% (0.19 0.64 0.02) = 7.698% kept HA GLU- 107 - HB ILE 19 16.667% * 6.6881% (0.62 0.17 0.02) = 6.688% kept HA GLU- 107 - HB3 LEU 90 16.667% * 5.8761% (0.21 0.43 0.02) = 5.876% kept HA LYS+ 113 - HB3 LEU 90 16.667% * 2.2313% (0.04 0.81 0.33) = 2.231% kept HA LYS+ 113 - HB ILE 19 16.667% * 0.6268% (0.12 0.08 0.02) = 0.627% 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): 15 chemical-shift based assignments, quality = 0.342, support = 0.898, residual support = 15.6: O HD3 LYS+ 55 - HE3 LYS+ 55 6.667% * 89.5804% (0.32 10.0 1.00 1.00 17.46) = 89.580% kept T HB3 MET 126 - HE2 LYS+ 117 6.667% * 3.9496% (0.72 1.0 10.00 0.02 0.02) = 3.950% kept T HB3 MET 126 - HE3 LYS+ 113 6.667% * 3.0920% (0.56 1.0 10.00 0.02 0.02) = 3.092% kept T HB3 MET 126 - HE3 LYS+ 55 6.667% * 1.7916% (0.32 1.0 10.00 0.02 0.02) = 1.792% kept HD3 LYS+ 55 - HE2 LYS+ 117 6.667% * 0.3950% (0.72 1.0 1.00 0.02 0.02) = 0.395% HD3 LYS+ 55 - HE3 LYS+ 113 6.667% * 0.3092% (0.56 1.0 1.00 0.02 0.02) = 0.309% HG3 ARG+ 84 - HE2 LYS+ 117 6.667% * 0.1974% (0.36 1.0 1.00 0.02 0.02) = 0.197% HG3 ARG+ 84 - HE3 LYS+ 113 6.667% * 0.1546% (0.28 1.0 1.00 0.02 0.02) = 0.155% HB3 MET 97 - HE2 LYS+ 117 6.667% * 0.1098% (0.20 1.0 1.00 0.02 0.02) = 0.110% HG3 ARG+ 84 - HE3 LYS+ 55 6.667% * 0.0896% (0.16 1.0 1.00 0.02 0.02) = 0.090% HB3 ARG+ 22 - HE2 LYS+ 117 6.667% * 0.0872% (0.16 1.0 1.00 0.02 0.02) = 0.087% HB3 MET 97 - HE3 LYS+ 113 6.667% * 0.0860% (0.16 1.0 1.00 0.02 0.02) = 0.086% HB3 ARG+ 22 - HE3 LYS+ 113 6.667% * 0.0682% (0.12 1.0 1.00 0.02 0.02) = 0.068% HB3 MET 97 - HE3 LYS+ 55 6.667% * 0.0498% (0.09 1.0 1.00 0.02 0.02) = 0.050% HB3 ARG+ 22 - HE3 LYS+ 55 6.667% * 0.0395% (0.07 1.0 1.00 0.02 0.02) = 0.040% Peak 1660 (1.40, 3.29, 42.22 ppm): 9 chemical-shift based assignments, quality = 0.35, support = 0.648, residual support = 1.77: T HG LEU 74 - HE3 LYS+ 63 11.111% * 96.8820% (0.36 10.00 0.67 1.82) = 96.882% kept HD3 LYS+ 20 - HE3 LYS+ 63 11.111% * 0.6441% (0.80 1.00 0.02 0.02) = 0.644% QB ALA 42 - HE3 LYS+ 63 11.111% * 0.5575% (0.70 1.00 0.02 0.02) = 0.557% QB ALA 37 - HE3 LYS+ 63 11.111% * 0.5101% (0.64 1.00 0.02 0.02) = 0.510% QG2 THR 38 - HE3 LYS+ 63 11.111% * 0.5101% (0.64 1.00 0.02 0.02) = 0.510% QG2 THR 39 - HE3 LYS+ 63 11.111% * 0.2744% (0.34 1.00 0.02 0.02) = 0.274% HG3 LYS+ 108 - HE3 LYS+ 63 11.111% * 0.2277% (0.28 1.00 0.02 0.02) = 0.228% HD3 LYS+ 44 - HE3 LYS+ 63 11.111% * 0.2277% (0.28 1.00 0.02 0.02) = 0.228% HG2 LYS+ 78 - HE3 LYS+ 63 11.111% * 0.1664% (0.21 1.00 0.02 0.02) = 0.166% 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): 4 chemical-shift based assignments, quality = 0.353, support = 2.05, residual support = 35.9: O HG3 LYS+ 20 - HE2 LYS+ 20 25.000% * 96.9892% (0.35 10.0 2.10 37.06) = 96.989% kept HG LEU 74 - HE2 LYS+ 20 25.000% * 2.9521% (0.34 1.0 0.63 0.02) = 2.952% kept HG13 ILE 100 - HE2 LYS+ 20 25.000% * 0.0385% (0.14 1.0 0.02 0.02) = 0.038% QG1 VAL 99 - HE2 LYS+ 20 25.000% * 0.0203% (0.07 1.0 0.02 0.11) = 0.020% Peak 1666 (0.94, 2.97, 42.26 ppm): 30 chemical-shift based assignments, quality = 0.373, support = 0.628, residual support = 0.243: HG12 ILE 29 - HE2 LYS+ 117 3.333% * 27.2178% (0.50 0.81 0.23) = 27.218% kept HG12 ILE 29 - HE3 LYS+ 113 3.333% * 21.6314% (0.40 0.80 0.34) = 21.631% kept QG2 ILE 29 - HE3 LYS+ 113 3.333% * 19.4714% (0.36 0.81 0.34) = 19.471% kept QG2 ILE 29 - HE2 LYS+ 117 3.333% * 13.8258% (0.44 0.47 0.23) = 13.826% kept QG2 VAL 62 - HE3 LYS+ 55 3.333% * 2.8182% (0.18 0.23 0.02) = 2.818% kept HG LEU 74 - HE3 LYS+ 113 3.333% * 1.9826% (0.31 0.10 0.30) = 1.983% kept HG12 ILE 29 - HE3 LYS+ 55 3.333% * 1.4563% (0.19 0.11 0.02) = 1.456% kept QG2 ILE 29 - HE3 LYS+ 55 3.333% * 1.3985% (0.17 0.12 0.02) = 1.399% kept HG LEU 74 - HE3 LYS+ 55 3.333% * 1.0013% (0.14 0.10 0.02) = 1.001% kept QG1 VAL 105 - HE2 LYS+ 117 3.333% * 0.7771% (0.58 0.02 0.02) = 0.777% QD1 LEU 17 - HE2 LYS+ 117 3.333% * 0.7753% (0.58 0.02 0.02) = 0.775% QG2 VAL 62 - HE2 LYS+ 117 3.333% * 0.6491% (0.48 0.02 0.02) = 0.649% QG1 VAL 105 - HE3 LYS+ 113 3.333% * 0.6260% (0.47 0.02 0.02) = 0.626% QD1 LEU 17 - HE3 LYS+ 113 3.333% * 0.6246% (0.47 0.02 0.02) = 0.625% HG12 ILE 68 - HE2 LYS+ 117 3.333% * 0.5938% (0.44 0.02 0.02) = 0.594% QG2 VAL 62 - HE3 LYS+ 113 3.333% * 0.5229% (0.39 0.02 0.02) = 0.523% HG LEU 74 - HE2 LYS+ 117 3.333% * 0.5126% (0.38 0.02 0.02) = 0.513% HG3 LYS+ 63 - HE2 LYS+ 117 3.333% * 0.5027% (0.37 0.02 0.02) = 0.503% HG12 ILE 68 - HE3 LYS+ 113 3.333% * 0.4784% (0.36 0.02 0.02) = 0.478% QG2 VAL 73 - HE2 LYS+ 117 3.333% * 0.4713% (0.35 0.02 0.02) = 0.471% HG3 LYS+ 63 - HE3 LYS+ 113 3.333% * 0.4050% (0.30 0.02 0.02) = 0.405% QG2 VAL 73 - HE3 LYS+ 113 3.333% * 0.3797% (0.28 0.02 0.02) = 0.380% QG2 VAL 99 - HE2 LYS+ 117 3.333% * 0.3195% (0.24 0.02 0.02) = 0.319% QG1 VAL 105 - HE3 LYS+ 55 3.333% * 0.2940% (0.22 0.02 0.02) = 0.294% QD1 LEU 17 - HE3 LYS+ 55 3.333% * 0.2933% (0.22 0.02 0.02) = 0.293% QG2 VAL 99 - HE3 LYS+ 113 3.333% * 0.2574% (0.19 0.02 0.02) = 0.257% HG12 ILE 68 - HE3 LYS+ 55 3.333% * 0.2247% (0.17 0.02 0.02) = 0.225% HG3 LYS+ 63 - HE3 LYS+ 55 3.333% * 0.1902% (0.14 0.02 0.02) = 0.190% QG2 VAL 73 - HE3 LYS+ 55 3.333% * 0.1783% (0.13 0.02 0.02) = 0.178% QG2 VAL 99 - HE3 LYS+ 55 3.333% * 0.1209% (0.09 0.02 0.02) = 0.121% 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): 36 chemical-shift based assignments, quality = 0.145, support = 0.22, residual support = 0.147: HG LEU 74 - HE3 LYS+ 32 2.778% * 21.6309% (0.21 0.30 0.37) = 21.631% kept HG LEU 74 - HE3 LYS+ 20 2.778% * 11.1166% (0.05 0.63 0.02) = 11.117% kept HG LEU 74 - HE3 LYS+ 111 2.778% * 10.5961% (0.11 0.29 0.02) = 10.596% kept HG12 ILE 29 - HE3 LYS+ 32 2.778% * 9.6226% (0.26 0.11 0.02) = 9.623% kept QG2 ILE 29 - HE3 LYS+ 32 2.778% * 6.0079% (0.22 0.08 0.02) = 6.008% kept HG12 ILE 68 - HE3 LYS+ 20 2.778% * 5.4546% (0.05 0.29 0.74) = 5.455% kept HG12 ILE 29 - HE3 LYS+ 20 2.778% * 4.0521% (0.06 0.19 0.13) = 4.052% kept QD1 LEU 17 - HE3 LYS+ 20 2.778% * 3.1019% (0.08 0.11 0.02) = 3.102% kept QG2 ILE 29 - HE3 LYS+ 20 2.778% * 3.0416% (0.05 0.16 0.13) = 3.042% kept QG2 VAL 62 - HE3 LYS+ 20 2.778% * 2.7021% (0.06 0.13 0.15) = 2.702% kept QD1 LEU 17 - HE3 LYS+ 32 2.778% * 2.2083% (0.32 0.02 0.02) = 2.208% kept QG1 VAL 105 - HE3 LYS+ 32 2.778% * 2.1936% (0.32 0.02 0.02) = 2.194% kept QG1 VAL 105 - HE3 LYS+ 20 2.778% * 2.0321% (0.08 0.08 0.02) = 2.032% kept QG2 VAL 62 - HE3 LYS+ 32 2.778% * 1.6914% (0.25 0.02 0.02) = 1.691% kept HG12 ILE 68 - HE3 LYS+ 32 2.778% * 1.5202% (0.22 0.02 0.02) = 1.520% kept QG2 VAL 73 - HE3 LYS+ 32 2.778% * 1.5202% (0.22 0.02 0.27) = 1.520% kept HG3 LYS+ 63 - HE3 LYS+ 32 2.778% * 1.2530% (0.18 0.02 0.02) = 1.253% kept QD1 LEU 17 - HE3 LYS+ 111 2.778% * 1.1255% (0.16 0.02 0.02) = 1.125% kept QG1 VAL 105 - HE3 LYS+ 111 2.778% * 1.1180% (0.16 0.02 0.02) = 1.118% kept HG12 ILE 29 - HE3 LYS+ 111 2.778% * 0.9032% (0.13 0.02 0.02) = 0.903% QG2 VAL 62 - HE3 LYS+ 111 2.778% * 0.8620% (0.13 0.02 0.02) = 0.862% QG2 ILE 29 - HE3 LYS+ 111 2.778% * 0.7748% (0.11 0.02 0.02) = 0.775% HG12 ILE 68 - HE3 LYS+ 111 2.778% * 0.7748% (0.11 0.02 0.02) = 0.775% QG2 VAL 73 - HE3 LYS+ 111 2.778% * 0.7748% (0.11 0.02 0.02) = 0.775% QG2 VAL 99 - HE3 LYS+ 32 2.778% * 0.7549% (0.11 0.02 0.35) = 0.755% HG3 LYS+ 63 - HE3 LYS+ 111 2.778% * 0.6386% (0.09 0.02 0.02) = 0.639% HG13 ILE 68 - HE3 LYS+ 32 2.778% * 0.3876% (0.06 0.02 0.02) = 0.388% QG2 VAL 99 - HE3 LYS+ 111 2.778% * 0.3848% (0.06 0.02 0.02) = 0.385% QG2 VAL 73 - HE3 LYS+ 20 2.778% * 0.3723% (0.05 0.02 0.02) = 0.372% QG2 VAL 87 - HE3 LYS+ 32 2.778% * 0.3415% (0.05 0.02 0.02) = 0.341% HG3 LYS+ 63 - HE3 LYS+ 20 2.778% * 0.3069% (0.04 0.02 0.02) = 0.307% HG13 ILE 68 - HE3 LYS+ 111 2.778% * 0.1975% (0.03 0.02 0.02) = 0.198% QG2 VAL 99 - HE3 LYS+ 20 2.778% * 0.1849% (0.03 0.02 0.11) = 0.185% QG2 VAL 87 - HE3 LYS+ 111 2.778% * 0.1740% (0.03 0.02 0.02) = 0.174% HG13 ILE 68 - HE3 LYS+ 20 2.778% * 0.0949% (0.01 0.02 0.74) = 0.095% QG2 VAL 87 - HE3 LYS+ 20 2.778% * 0.0836% (0.01 0.02 0.02) = 0.084% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1669 (0.73, 3.00, 42.26 ppm): 24 chemical-shift based assignments, quality = 0.398, support = 0.0284, residual support = 0.0348: QD1 ILE 68 - HE2 LYS+ 117 4.167% * 9.1357% (0.70 0.02 0.02) = 9.136% kept QG2 VAL 40 - HE2 LYS+ 117 4.167% * 8.4333% (0.65 0.02 0.02) = 8.433% kept HG3 LYS+ 66 - HE2 LYS+ 117 4.167% * 7.6308% (0.59 0.02 0.02) = 7.631% kept QD1 ILE 68 - HE3 LYS+ 113 4.167% * 6.7079% (0.52 0.02 0.02) = 6.708% kept QD1 ILE 68 - HE3 LYS+ 55 4.167% * 6.4085% (0.49 0.02 0.02) = 6.409% kept QG2 VAL 40 - HE3 LYS+ 113 4.167% * 6.1922% (0.48 0.02 0.02) = 6.192% kept QG2 VAL 40 - HE3 LYS+ 55 4.167% * 5.9158% (0.46 0.02 0.02) = 5.916% kept HG3 LYS+ 66 - HE3 LYS+ 113 4.167% * 5.6030% (0.43 0.02 0.02) = 5.603% kept HG LEU 74 - HE3 LYS+ 55 4.167% * 5.5881% (0.08 0.10 0.02) = 5.588% kept HG LEU 74 - HE3 LYS+ 113 4.167% * 5.4391% (0.09 0.10 0.30) = 5.439% kept HG3 LYS+ 66 - HE3 LYS+ 55 4.167% * 5.3529% (0.41 0.02 0.02) = 5.353% kept QG2 ILE 48 - HE2 LYS+ 117 4.167% * 4.4468% (0.34 0.02 0.02) = 4.447% kept QG2 ILE 101 - HE2 LYS+ 117 4.167% * 3.4287% (0.26 0.02 0.02) = 3.429% kept QG2 ILE 48 - HE3 LYS+ 113 4.167% * 3.2651% (0.25 0.02 0.02) = 3.265% kept QG2 ILE 48 - HE3 LYS+ 55 4.167% * 3.1194% (0.24 0.02 0.02) = 3.119% kept QG2 ILE 101 - HE3 LYS+ 113 4.167% * 2.5176% (0.19 0.02 0.02) = 2.518% kept QG2 ILE 101 - HE3 LYS+ 55 4.167% * 2.4052% (0.19 0.02 0.02) = 2.405% kept HG LEU 74 - HE2 LYS+ 117 4.167% * 1.5430% (0.12 0.02 0.02) = 1.543% kept HG3 LYS+ 44 - HE2 LYS+ 117 4.167% * 1.4096% (0.11 0.02 0.02) = 1.410% kept HG2 PRO 59 - HE2 LYS+ 117 4.167% * 1.4096% (0.11 0.02 0.02) = 1.410% kept HG3 LYS+ 44 - HE3 LYS+ 113 4.167% * 1.0350% (0.08 0.02 0.02) = 1.035% kept HG2 PRO 59 - HE3 LYS+ 113 4.167% * 1.0350% (0.08 0.02 0.02) = 1.035% kept HG3 LYS+ 44 - HE3 LYS+ 55 4.167% * 0.9888% (0.08 0.02 0.02) = 0.989% HG2 PRO 59 - HE3 LYS+ 55 4.167% * 0.9888% (0.08 0.02 0.02) = 0.989% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1670 (0.69, 2.61, 42.15 ppm): 9 chemical-shift based assignments, quality = 0.512, support = 2.4, residual support = 19.7: QD1 ILE 19 - HE2 LYS+ 20 11.111% * 45.8720% (0.55 2.53 21.67) = 45.872% kept HG12 ILE 19 - HE2 LYS+ 20 11.111% * 44.1190% (0.49 2.73 21.67) = 44.119% kept QG2 VAL 94 - HE2 LYS+ 20 11.111% * 8.1311% (0.51 0.48 2.57) = 8.131% kept QG1 VAL 62 - HE2 LYS+ 20 11.111% * 0.5869% (0.19 0.09 0.15) = 0.587% HG LEU 67 - HE2 LYS+ 20 11.111% * 0.3821% (0.58 0.02 0.02) = 0.382% HG2 PRO 59 - HE2 LYS+ 20 11.111% * 0.3728% (0.57 0.02 0.18) = 0.373% QG2 ILE 101 - HE2 LYS+ 20 11.111% * 0.2613% (0.40 0.02 0.02) = 0.261% QG2 ILE 48 - HE2 LYS+ 20 11.111% * 0.2125% (0.32 0.02 0.02) = 0.213% QG2 VAL 40 - HE2 LYS+ 20 11.111% * 0.0623% (0.09 0.02 0.02) = 0.062% Peak 1671 (0.69, 1.57, 42.22 ppm): 16 chemical-shift based assignments, quality = 0.582, support = 4.73, residual support = 27.1: O QD1 ILE 19 - HB ILE 19 6.250% * 50.7161% (0.61 10.0 4.32 28.10) = 50.716% kept O HG12 ILE 19 - HB ILE 19 6.250% * 45.8898% (0.55 10.0 5.45 28.10) = 45.890% kept QG2 VAL 94 - HB ILE 19 6.250% * 2.9718% (0.58 1.0 1.25 0.19) = 2.972% kept HG2 PRO 59 - HB ILE 19 6.250% * 0.2006% (0.59 1.0 0.08 0.02) = 0.201% HG LEU 67 - HB ILE 19 6.250% * 0.0507% (0.61 1.0 0.02 0.18) = 0.051% QG2 ILE 101 - HB ILE 19 6.250% * 0.0333% (0.40 1.0 0.02 0.02) = 0.033% QG2 ILE 48 - HB ILE 19 6.250% * 0.0267% (0.32 1.0 0.02 0.02) = 0.027% QG1 VAL 62 - HB ILE 19 6.250% * 0.0187% (0.23 1.0 0.02 0.02) = 0.019% QD1 ILE 19 - HB3 LEU 90 6.250% * 0.0145% (0.17 1.0 0.02 0.02) = 0.014% HG LEU 67 - HB3 LEU 90 6.250% * 0.0145% (0.17 1.0 0.02 0.02) = 0.014% HG2 PRO 59 - HB3 LEU 90 6.250% * 0.0141% (0.17 1.0 0.02 0.02) = 0.014% QG2 VAL 94 - HB3 LEU 90 6.250% * 0.0136% (0.16 1.0 0.02 0.02) = 0.014% HG12 ILE 19 - HB3 LEU 90 6.250% * 0.0131% (0.16 1.0 0.02 0.02) = 0.013% QG2 ILE 101 - HB3 LEU 90 6.250% * 0.0095% (0.11 1.0 0.02 0.02) = 0.010% QG2 ILE 48 - HB3 LEU 90 6.250% * 0.0076% (0.09 1.0 0.02 0.02) = 0.008% QG1 VAL 62 - HB3 LEU 90 6.250% * 0.0053% (0.06 1.0 0.02 0.02) = 0.005% Peak 1672 (0.02, 1.57, 42.22 ppm): 2 chemical-shift based assignments, quality = 0.265, support = 4.05, residual support = 28.1: O QG2 ILE 19 - HB ILE 19 50.000% * 99.9675% (0.27 10.0 4.05 28.10) = 99.967% kept QG2 ILE 19 - HB3 LEU 90 50.000% * 0.0325% (0.09 1.0 0.02 0.02) = 0.033% Peak 1674 (8.88, 1.62, 41.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1675 (7.35, 2.80, 41.80 ppm): 14 chemical-shift based assignments, quality = 0.397, support = 2.0, residual support = 12.8: QE PHE 34 - HE3 LYS+ 32 7.143% * 30.9015% (0.45 2.66 17.88) = 30.901% kept HZ PHE 34 - HE3 LYS+ 32 7.143% * 28.9348% (0.45 2.49 17.88) = 28.935% kept QD PHE 34 - HE3 LYS+ 32 7.143% * 11.4136% (0.17 2.56 17.88) = 11.414% kept HZ2 TRP 51 - HE3 LYS+ 32 7.143% * 7.6903% (0.45 0.66 0.26) = 7.690% kept HE22 GLN 102 - HE3 LYS+ 111 7.143% * 5.6885% (0.38 0.58 0.24) = 5.688% kept HE22 GLN 102 - HE3 LYS+ 32 7.143% * 5.6169% (0.25 0.85 0.21) = 5.617% kept HZ PHE 34 - HE3 LYS+ 111 7.143% * 4.1536% (0.67 0.24 0.02) = 4.154% kept QD PHE 34 - HE3 LYS+ 111 7.143% * 3.3340% (0.26 0.50 0.02) = 3.334% kept HN VAL 47 - HE3 LYS+ 32 7.143% * 1.3079% (0.14 0.37 0.10) = 1.308% kept QE PHE 34 - HE3 LYS+ 111 7.143% * 0.3472% (0.67 0.02 0.02) = 0.347% HZ2 TRP 51 - HE3 LYS+ 111 7.143% * 0.3472% (0.67 0.02 0.02) = 0.347% HN VAL 47 - HE3 LYS+ 111 7.143% * 0.1064% (0.21 0.02 0.02) = 0.106% HN ARG+ 84 - HE3 LYS+ 111 7.143% * 0.0946% (0.18 0.02 0.02) = 0.095% HN ARG+ 84 - HE3 LYS+ 32 7.143% * 0.0634% (0.12 0.02 0.02) = 0.063% Peak 1676 (4.98, 1.63, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1679 (3.74, 1.16, 41.79 ppm): 5 chemical-shift based assignments, quality = 0.286, support = 2.35, residual support = 14.4: T HA LEU 43 - HB ILE 68 20.000% * 90.4558% (0.31 10.00 2.51 15.89) = 90.456% kept T HA LYS+ 44 - HB ILE 68 20.000% * 7.8101% (0.05 10.00 1.00 0.73) = 7.810% kept HA ILE 48 - HB ILE 68 20.000% * 1.5979% (0.29 1.00 0.37 0.02) = 1.598% kept HD3 PRO 104 - HB ILE 68 20.000% * 0.0905% (0.31 1.00 0.02 0.02) = 0.090% HB3 SER 27 - HB ILE 68 20.000% * 0.0456% (0.15 1.00 0.02 0.02) = 0.046% Peak 1682 (2.81, 2.80, 41.87 ppm): 2 diagonal assignments: HE3 LYS+ 111 - HE3 LYS+ 111 (0.97) kept HE3 LYS+ 32 - HE3 LYS+ 32 (0.78) kept Peak 1683 (2.73, 2.73, 41.82 ppm): 1 diagonal assignment: HB3 ASP- 115 - HB3 ASP- 115 (0.91) kept Peak 1684 (2.72, 2.54, 41.72 ppm): 5 chemical-shift based assignments, quality = 0.578, support = 0.994, residual support = 14.0: O HB3 ASP- 115 - HB2 ASP- 115 20.000% * 99.4476% (0.58 10.0 1.00 14.04) = 99.448% kept HA1 GLY 58 - HB2 ASP- 115 20.000% * 0.2213% (0.65 1.0 0.02 0.02) = 0.221% HB3 PHE 21 - HB2 ASP- 115 20.000% * 0.1575% (0.46 1.0 0.02 0.02) = 0.158% HE3 LYS+ 20 - HB2 ASP- 115 20.000% * 0.1028% (0.30 1.0 0.02 0.02) = 0.103% HE3 LYS+ 120 - HB2 ASP- 115 20.000% * 0.0708% (0.21 1.0 0.02 0.02) = 0.071% Peak 1687 (2.63, 2.62, 41.91 ppm): 1 diagonal assignment: HB3 ASP- 82 - HB3 ASP- 82 (0.11) kept Peak 1688 (2.55, 2.73, 41.78 ppm): 4 chemical-shift based assignments, quality = 0.461, support = 0.997, residual support = 14.0: O T HB2 ASP- 115 - HB3 ASP- 115 25.000% * 99.6943% (0.46 10.0 10.00 1.00 14.04) = 99.694% kept HA1 GLY 58 - HB3 ASP- 115 25.000% * 0.1680% (0.78 1.0 1.00 0.02 0.02) = 0.168% HB3 ASP- 36 - HB3 ASP- 115 25.000% * 0.1105% (0.51 1.0 1.00 0.02 0.02) = 0.110% HB2 ASP- 36 - HB3 ASP- 115 25.000% * 0.0272% (0.13 1.0 1.00 0.02 0.02) = 0.027% Peak 1694 (2.11, 1.16, 41.76 ppm): 12 chemical-shift based assignments, quality = 0.265, support = 2.53, residual support = 15.8: T HB3 LEU 43 - HB ILE 68 8.333% * 70.6076% (0.32 10.00 2.35 15.89) = 70.608% kept T HB2 LEU 43 - HB ILE 68 8.333% * 29.0277% (0.13 10.00 2.98 15.89) = 29.028% kept HG3 GLU- 56 - HB ILE 68 8.333% * 0.0705% (0.32 1.00 0.02 0.02) = 0.070% HB3 GLU- 75 - HB ILE 68 8.333% * 0.0682% (0.31 1.00 0.02 0.02) = 0.068% HB VAL 65 - HB ILE 68 8.333% * 0.0540% (0.24 1.00 0.02 0.02) = 0.054% HB VAL 87 - HB ILE 68 8.333% * 0.0513% (0.23 1.00 0.02 0.02) = 0.051% HB VAL 125 - HB ILE 68 8.333% * 0.0317% (0.14 1.00 0.02 0.02) = 0.032% HB2 LYS+ 110 - HB ILE 68 8.333% * 0.0241% (0.11 1.00 0.02 0.02) = 0.024% HD3 LYS+ 110 - HB ILE 68 8.333% * 0.0196% (0.09 1.00 0.02 0.02) = 0.020% HB VAL 47 - HB ILE 68 8.333% * 0.0157% (0.07 1.00 0.02 0.02) = 0.016% HB2 ASP- 28 - HB ILE 68 8.333% * 0.0157% (0.07 1.00 0.02 0.02) = 0.016% HA1 GLY 58 - HB ILE 68 8.333% * 0.0140% (0.06 1.00 0.02 0.25) = 0.014% Peak 1696 (1.59, 2.80, 41.88 ppm): 20 chemical-shift based assignments, quality = 0.767, support = 2.33, residual support = 36.8: O HD3 LYS+ 32 - HE3 LYS+ 32 5.000% * 82.4561% (0.78 10.0 2.12 37.70) = 82.456% kept HB3 LYS+ 32 - HE3 LYS+ 32 5.000% * 15.2131% (0.76 1.0 3.80 37.70) = 15.213% kept HG2 LYS+ 110 - HE3 LYS+ 111 5.000% * 1.5717% (0.61 1.0 0.49 0.02) = 1.572% kept HD3 LYS+ 32 - HE3 LYS+ 111 5.000% * 0.0918% (0.87 1.0 0.02 0.02) = 0.092% HB3 LYS+ 32 - HE3 LYS+ 111 5.000% * 0.0892% (0.84 1.0 0.02 0.02) = 0.089% HB3 LEU 17 - HE3 LYS+ 111 5.000% * 0.0831% (0.78 1.0 0.02 0.02) = 0.083% HB3 LEU 17 - HE3 LYS+ 32 5.000% * 0.0746% (0.70 1.0 0.02 0.02) = 0.075% HG3 LYS+ 110 - HE3 LYS+ 111 5.000% * 0.0683% (0.65 1.0 0.02 0.02) = 0.068% HG3 LYS+ 110 - HE3 LYS+ 32 5.000% * 0.0614% (0.58 1.0 0.02 0.02) = 0.061% HG2 LYS+ 110 - HE3 LYS+ 32 5.000% * 0.0578% (0.55 1.0 0.02 0.02) = 0.058% HG3 LYS+ 78 - HE3 LYS+ 111 5.000% * 0.0307% (0.29 1.0 0.02 0.02) = 0.031% HG3 LYS+ 60 - HE3 LYS+ 111 5.000% * 0.0277% (0.26 1.0 0.02 0.02) = 0.028% HG3 LYS+ 78 - HE3 LYS+ 32 5.000% * 0.0276% (0.26 1.0 0.02 0.02) = 0.028% HG3 LYS+ 60 - HE3 LYS+ 32 5.000% * 0.0248% (0.23 1.0 0.02 0.02) = 0.025% HB ILE 19 - HE3 LYS+ 111 5.000% * 0.0248% (0.23 1.0 0.02 0.02) = 0.025% HB ILE 19 - HE3 LYS+ 32 5.000% * 0.0223% (0.21 1.0 0.02 0.02) = 0.022% HG LEU 17 - HE3 LYS+ 111 5.000% * 0.0221% (0.21 1.0 0.02 0.02) = 0.022% HG LEU 17 - HE3 LYS+ 32 5.000% * 0.0199% (0.19 1.0 0.02 0.02) = 0.020% HD3 LYS+ 60 - HE3 LYS+ 111 5.000% * 0.0174% (0.16 1.0 0.02 0.02) = 0.017% HD3 LYS+ 60 - HE3 LYS+ 32 5.000% * 0.0156% (0.15 1.0 0.02 0.02) = 0.016% Peak 1697 (1.63, 2.10, 41.79 ppm): 22 chemical-shift based assignments, quality = 0.63, support = 0.698, residual support = 1.21: HB2 LEU 67 - HB2 LEU 43 4.545% * 28.7024% (0.67 1.15 2.27) = 28.702% kept HB2 LEU 67 - HB3 LEU 43 4.545% * 24.4003% (0.78 0.84 2.27) = 24.400% kept HG12 ILE 101 - HB3 LEU 43 4.545% * 16.0410% (0.78 0.55 0.02) = 16.041% kept HG12 ILE 101 - HB2 LEU 43 4.545% * 6.9745% (0.67 0.28 0.02) = 6.975% kept HB3 ARG+ 22 - HB3 LEU 43 4.545% * 4.4503% (0.49 0.24 0.02) = 4.450% kept HB3 ARG+ 22 - HB2 LEU 43 4.545% * 4.3339% (0.42 0.28 0.02) = 4.334% kept HG2 LYS+ 110 - HB3 LEU 43 4.545% * 2.6742% (0.24 0.30 0.02) = 2.674% kept HG3 LYS+ 110 - HB3 LEU 43 4.545% * 2.3738% (0.22 0.30 0.02) = 2.374% kept HG2 LYS+ 110 - HB2 LEU 43 4.545% * 2.3017% (0.21 0.30 0.02) = 2.302% kept HB ILE 100 - HB2 LEU 43 4.545% * 2.1605% (0.67 0.09 0.02) = 2.161% kept HG3 LYS+ 110 - HB2 LEU 43 4.545% * 2.0432% (0.19 0.30 0.02) = 2.043% kept HG LEU 23 - HB3 LEU 43 4.545% * 0.6100% (0.82 0.02 0.02) = 0.610% HB ILE 100 - HB3 LEU 43 4.545% * 0.5784% (0.78 0.02 0.02) = 0.578% HG LEU 23 - HB2 LEU 43 4.545% * 0.5251% (0.71 0.02 0.02) = 0.525% HG3 LYS+ 78 - HB3 LEU 43 4.545% * 0.3911% (0.53 0.02 0.02) = 0.391% HG3 LYS+ 78 - HB2 LEU 43 4.545% * 0.3367% (0.45 0.02 0.02) = 0.337% HB3 MET 97 - HB3 LEU 43 4.545% * 0.3139% (0.42 0.02 0.02) = 0.314% HB3 MET 97 - HB2 LEU 43 4.545% * 0.2702% (0.36 0.02 0.02) = 0.270% HG3 ARG+ 84 - HB3 LEU 43 4.545% * 0.1793% (0.24 0.02 0.02) = 0.179% HG3 ARG+ 84 - HB2 LEU 43 4.545% * 0.1543% (0.21 0.02 0.02) = 0.154% HB3 LEU 17 - HB3 LEU 43 4.545% * 0.0995% (0.13 0.02 0.02) = 0.100% HB3 LEU 17 - HB2 LEU 43 4.545% * 0.0856% (0.12 0.02 0.02) = 0.086% Peak 1698 (1.44, 2.75, 41.95 ppm): 20 chemical-shift based assignments, quality = 0.32, support = 0.122, residual support = 0.0409: T HD3 LYS+ 113 - HB3 ASP- 115 5.000% * 35.9555% (0.46 10.00 0.02 0.02) = 35.955% kept HG3 LYS+ 108 - HB3 ASP- 115 5.000% * 21.4233% (0.29 1.00 0.19 0.02) = 21.423% kept HG LEU 74 - HE3 LYS+ 20 5.000% * 11.0427% (0.05 1.00 0.63 0.02) = 11.043% kept T HD3 LYS+ 113 - HE3 LYS+ 20 5.000% * 8.7604% (0.11 10.00 0.02 0.02) = 8.760% kept HG LEU 90 - HB3 ASP- 115 5.000% * 4.3047% (0.55 1.00 0.02 0.48) = 4.305% kept HB3 LYS+ 60 - HB3 ASP- 115 5.000% * 4.2666% (0.55 1.00 0.02 0.02) = 4.267% kept HG3 LYS+ 55 - HB3 ASP- 115 5.000% * 3.7340% (0.48 1.00 0.02 0.02) = 3.734% kept HD3 LYS+ 44 - HB3 ASP- 115 5.000% * 2.2648% (0.29 1.00 0.02 0.02) = 2.265% kept HG LEU 74 - HB3 ASP- 115 5.000% * 1.4453% (0.19 1.00 0.02 0.02) = 1.445% kept HG LEU 90 - HE3 LYS+ 20 5.000% * 1.0488% (0.13 1.00 0.02 0.02) = 1.049% kept HB3 LYS+ 60 - HE3 LYS+ 20 5.000% * 1.0395% (0.13 1.00 0.02 0.20) = 1.040% kept HG3 LYS+ 55 - HE3 LYS+ 20 5.000% * 0.9098% (0.12 1.00 0.02 0.02) = 0.910% QG2 THR 38 - HB3 ASP- 115 5.000% * 0.7539% (0.10 1.00 0.02 0.02) = 0.754% QB ALA 37 - HB3 ASP- 115 5.000% * 0.7539% (0.10 1.00 0.02 0.02) = 0.754% HB3 LEU 67 - HB3 ASP- 115 5.000% * 0.6642% (0.09 1.00 0.02 0.02) = 0.664% HG3 LYS+ 108 - HE3 LYS+ 20 5.000% * 0.5518% (0.07 1.00 0.02 0.02) = 0.552% HD3 LYS+ 44 - HE3 LYS+ 20 5.000% * 0.5518% (0.07 1.00 0.02 0.15) = 0.552% QB ALA 37 - HE3 LYS+ 20 5.000% * 0.1837% (0.02 1.00 0.02 0.02) = 0.184% QG2 THR 38 - HE3 LYS+ 20 5.000% * 0.1837% (0.02 1.00 0.02 0.02) = 0.184% HB3 LEU 67 - HE3 LYS+ 20 5.000% * 0.1618% (0.02 1.00 0.02 0.02) = 0.162% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1699 (1.39, 2.62, 42.03 ppm): 11 chemical-shift based assignments, quality = 0.267, support = 2.56, residual support = 36.4: O HD3 LYS+ 20 - HE2 LYS+ 20 9.091% * 94.4160% (0.28 10.0 2.51 37.06) = 94.416% kept HB3 LYS+ 20 - HE2 LYS+ 20 9.091% * 3.9122% (0.05 1.0 4.64 37.06) = 3.912% kept HG LEU 74 - HE2 LYS+ 20 9.091% * 1.3676% (0.13 1.0 0.63 0.02) = 1.368% kept QG2 THR 39 - HE2 LYS+ 20 9.091% * 0.0662% (0.20 1.0 0.02 0.02) = 0.066% QB ALA 42 - HE2 LYS+ 20 9.091% * 0.0545% (0.16 1.0 0.02 0.02) = 0.055% HG2 LYS+ 78 - HE2 LYS+ 20 9.091% * 0.0469% (0.14 1.0 0.02 0.02) = 0.047% QB ALA 37 - HE2 LYS+ 20 9.091% * 0.0469% (0.14 1.0 0.02 0.02) = 0.047% QG2 THR 38 - HE2 LYS+ 20 9.091% * 0.0469% (0.14 1.0 0.02 0.02) = 0.047% HG3 LYS+ 108 - HE2 LYS+ 20 9.091% * 0.0149% (0.04 1.0 0.02 0.02) = 0.015% HD3 LYS+ 44 - HE2 LYS+ 20 9.091% * 0.0149% (0.04 1.0 0.02 0.15) = 0.015% QB ALA 91 - HE2 LYS+ 20 9.091% * 0.0130% (0.04 1.0 0.02 0.02) = 0.013% Peak 1701 (1.20, 1.28, 41.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1703 (1.18, 1.17, 41.87 ppm): 1 diagonal assignment: HB ILE 68 - HB ILE 68 (0.61) kept Peak 1705 (1.17, 2.10, 41.75 ppm): 12 chemical-shift based assignments, quality = 0.446, support = 2.34, residual support = 12.5: T HB ILE 68 - HB3 LEU 43 8.333% * 37.3595% (0.29 10.00 2.35 15.89) = 37.360% kept T HB ILE 68 - HB2 LEU 43 8.333% * 29.0956% (0.23 10.00 2.98 15.89) = 29.096% kept HG LEU 74 - HB3 LEU 43 8.333% * 14.7392% (0.94 1.00 2.48 6.55) = 14.739% kept HG LEU 74 - HB2 LEU 43 8.333% * 8.8498% (0.73 1.00 1.91 6.55) = 8.850% kept HB2 LEU 74 - HB2 LEU 43 8.333% * 4.3089% (0.64 1.00 1.05 6.55) = 4.309% kept HG3 PRO 59 - HB3 LEU 43 8.333% * 1.7530% (0.92 1.00 0.30 0.02) = 1.753% kept HB2 LEU 74 - HB3 LEU 43 8.333% * 1.4561% (0.83 1.00 0.28 6.55) = 1.456% kept HG3 PRO 59 - HB2 LEU 43 8.333% * 1.3652% (0.72 1.00 0.30 0.02) = 1.365% kept HB3 LYS+ 66 - HB3 LEU 43 8.333% * 0.5220% (0.80 1.00 0.10 0.02) = 0.522% HB3 LYS+ 66 - HB2 LEU 43 8.333% * 0.3470% (0.62 1.00 0.09 0.02) = 0.347% QG2 THR 106 - HB3 LEU 43 8.333% * 0.1145% (0.90 1.00 0.02 0.02) = 0.115% QG2 THR 106 - HB2 LEU 43 8.333% * 0.0892% (0.70 1.00 0.02 0.02) = 0.089% Peak 1706 (0.87, 1.17, 41.85 ppm): 12 chemical-shift based assignments, quality = 0.396, support = 1.55, residual support = 5.04: HG LEU 74 - HB ILE 68 8.333% * 52.0729% (0.30 2.58 9.35) = 52.073% kept QG2 VAL 122 - HB ILE 68 8.333% * 23.1471% (0.63 0.55 0.23) = 23.147% kept QG1 VAL 122 - HB ILE 68 8.333% * 13.4963% (0.36 0.56 0.23) = 13.496% kept QG2 ILE 100 - HB ILE 68 8.333% * 5.4114% (0.61 0.13 1.51) = 5.411% kept QG2 VAL 47 - HB ILE 68 8.333% * 2.3337% (0.47 0.08 0.02) = 2.334% kept QD1 LEU 90 - HB ILE 68 8.333% * 0.7862% (0.59 0.02 0.02) = 0.786% QG1 VAL 40 - HB ILE 68 8.333% * 0.6820% (0.51 0.02 0.02) = 0.682% QG2 VAL 125 - HB ILE 68 8.333% * 0.6509% (0.49 0.02 0.02) = 0.651% HB ILE 101 - HB ILE 68 8.333% * 0.4822% (0.36 0.02 0.12) = 0.482% QG1 VAL 80 - HB ILE 68 8.333% * 0.3502% (0.26 0.02 0.02) = 0.350% HG3 LYS+ 117 - HB ILE 68 8.333% * 0.3502% (0.26 0.02 0.02) = 0.350% HG2 LYS+ 117 - HB ILE 68 8.333% * 0.2368% (0.18 0.02 0.02) = 0.237% 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): 16 chemical-shift based assignments, quality = 0.199, support = 0.375, residual support = 0.457: QD1 ILE 68 - HE3 LYS+ 20 6.250% * 61.0025% (0.24 0.46 0.74) = 61.002% kept HG LEU 74 - HE3 LYS+ 20 6.250% * 13.8925% (0.04 0.63 0.02) = 13.893% kept QD1 ILE 68 - HB3 ASP- 115 6.250% * 3.7362% (0.33 0.02 0.02) = 3.736% kept QG2 VAL 40 - HB3 ASP- 115 6.250% * 3.5421% (0.32 0.02 0.02) = 3.542% kept HG3 LYS+ 66 - HB3 ASP- 115 6.250% * 2.9984% (0.27 0.02 0.02) = 2.998% kept QG2 VAL 40 - HE3 LYS+ 20 6.250% * 2.5036% (0.22 0.02 0.02) = 2.504% kept HG3 LYS+ 66 - HE3 LYS+ 20 6.250% * 2.1192% (0.19 0.02 0.02) = 2.119% kept QG2 ILE 48 - HB3 ASP- 115 6.250% * 1.9701% (0.18 0.02 0.02) = 1.970% kept HG LEU 67 - HE3 LYS+ 20 6.250% * 1.8917% (0.04 0.09 0.02) = 1.892% kept QG2 ILE 101 - HB3 ASP- 115 6.250% * 1.5394% (0.14 0.02 0.02) = 1.539% kept QG2 ILE 48 - HE3 LYS+ 20 6.250% * 1.3924% (0.12 0.02 0.02) = 1.392% kept QG2 ILE 101 - HE3 LYS+ 20 6.250% * 1.0881% (0.10 0.02 0.02) = 1.088% kept HG2 PRO 59 - HB3 ASP- 115 6.250% * 0.6558% (0.06 0.02 0.02) = 0.656% HG LEU 74 - HB3 ASP- 115 6.250% * 0.6268% (0.06 0.02 0.02) = 0.627% HG LEU 67 - HB3 ASP- 115 6.250% * 0.5778% (0.05 0.02 0.02) = 0.578% HG2 PRO 59 - HE3 LYS+ 20 6.250% * 0.4635% (0.04 0.02 0.18) = 0.464% Not enough quality. Peak unassigned. Peak 1709 (0.73, 1.29, 41.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1710 (0.75, 1.17, 41.89 ppm): 6 chemical-shift based assignments, quality = 0.368, support = 4.07, residual support = 27.9: O QD1 ILE 68 - HB ILE 68 16.667% * 83.7174% (0.35 10.0 4.60 32.74) = 83.717% kept HG3 LYS+ 44 - HB ILE 68 16.667% * 7.4477% (0.62 1.0 1.00 0.73) = 7.448% kept HG LEU 74 - HB ILE 68 16.667% * 4.7972% (0.16 1.0 2.58 9.35) = 4.797% kept HG3 LYS+ 66 - HB ILE 68 16.667% * 3.3808% (0.62 1.0 0.45 0.02) = 3.381% kept HG12 ILE 100 - HB ILE 68 16.667% * 0.6105% (0.38 1.0 0.13 1.51) = 0.610% QG2 VAL 40 - HB ILE 68 16.667% * 0.0466% (0.19 1.0 0.02 0.02) = 0.047% Peak 1711 (0.70, 1.62, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1712 (0.49, 2.10, 41.75 ppm): 2 chemical-shift based assignments, quality = 0.485, support = 2.87, residual support = 46.4: O QD2 LEU 43 - HB3 LEU 43 50.000% * 56.2177% (0.54 10.0 2.38 46.35) = 56.218% kept O QD2 LEU 43 - HB2 LEU 43 50.000% * 43.7823% (0.42 10.0 3.49 46.35) = 43.782% kept Peak 1713 (0.47, 1.17, 41.84 ppm): 3 chemical-shift based assignments, quality = 0.271, support = 2.23, residual support = 18.8: T QD2 LEU 74 - HB ILE 68 33.333% * 40.3287% (0.15 1.0 10.00 2.05 9.35) = 40.329% kept O QG2 ILE 68 - HB ILE 68 33.333% * 32.8112% (0.17 10.0 1.00 1.46 32.74) = 32.811% kept QD2 LEU 43 - HB ILE 68 33.333% * 26.8601% (0.58 1.0 1.00 3.44 15.89) = 26.860% kept Peak 1714 (-0.08, 1.17, 41.84 ppm): 2 chemical-shift based assignments, quality = 0.184, support = 3.21, residual support = 13.8: T QD1 LEU 43 - HB ILE 68 50.000% * 68.3291% (0.18 10.00 4.27 15.89) = 68.329% kept T QD1 LEU 74 - HB ILE 68 50.000% * 31.6709% (0.18 10.00 0.93 9.35) = 31.671% kept Peak 1715 (9.32, 1.92, 41.46 ppm): 2 chemical-shift based assignments, quality = 0.245, support = 5.42, residual support = 58.7: O HN ILE 29 - HB ILE 29 50.000% * 96.1919% (0.25 10.0 5.56 60.56) = 96.192% kept HN ILE 29 - HB2 LEU 23 50.000% * 3.8081% (0.10 1.0 2.05 11.48) = 3.808% kept Peak 1717 (2.54, 2.54, 41.71 ppm): 1 diagonal assignment: HB2 ASP- 115 - HB2 ASP- 115 (0.65) kept Peak 1722 (1.92, 1.73, 41.57 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1723 (1.73, 1.93, 41.56 ppm): 6 chemical-shift based assignments, quality = 0.411, support = 1.22, residual support = 2.09: HB3 GLU- 50 - HB2 LEU 23 16.667% * 35.0681% (0.48 1.43 1.34) = 35.068% kept HB ILE 48 - HB ILE 29 16.667% * 23.6008% (0.34 1.36 4.65) = 23.601% kept HB3 GLU- 50 - HB ILE 29 16.667% * 20.3384% (0.34 1.17 2.42) = 20.338% kept HB ILE 48 - HB2 LEU 23 16.667% * 19.4490% (0.48 0.79 0.13) = 19.449% kept HB VAL 94 - HB2 LEU 23 16.667% * 1.4857% (0.08 0.36 0.02) = 1.486% kept HB VAL 94 - HB ILE 29 16.667% * 0.0581% (0.06 0.02 0.02) = 0.058% Peak 1724 (1.71, 1.73, 41.57 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1725 (7.54, 2.64, 41.23 ppm): 3 chemical-shift based assignments, quality = 0.164, support = 3.96, residual support = 29.3: O HN ASP- 82 - HB3 ASP- 82 33.333% * 99.8911% (0.16 10.0 3.97 29.35) = 99.891% kept HD22 ASN 119 - HB3 ASP- 82 33.333% * 0.0545% (0.09 1.0 0.02 0.02) = 0.054% HN VAL 65 - HB3 ASP- 82 33.333% * 0.0545% (0.09 1.0 0.02 0.02) = 0.054% Peak 1726 (7.55, 2.17, 41.26 ppm): 3 chemical-shift based assignments, quality = 0.0906, support = 3.39, residual support = 29.2: O HN ASP- 82 - HB2 ASP- 82 33.333% * 99.5656% (0.09 10.0 3.41 29.35) = 99.566% kept HD22 ASN 119 - HB2 ASP- 82 33.333% * 0.2172% (0.20 1.0 0.02 0.02) = 0.217% HN VAL 65 - HB2 ASP- 82 33.333% * 0.2172% (0.20 1.0 0.02 0.02) = 0.217% Peak 1727 (4.22, 2.65, 41.19 ppm): 12 chemical-shift based assignments, quality = 0.0525, support = 2.09, residual support = 28.1: O T HA ASP- 82 - HB3 ASP- 82 8.333% * 95.7048% (0.05 10.0 10.00 2.19 29.35) = 95.705% kept T HA GLU- 109 - HB3 ASP- 82 8.333% * 1.7555% (0.10 1.0 10.00 0.02 0.02) = 1.756% kept T HA LYS+ 44 - HB3 ASP- 82 8.333% * 0.5499% (0.03 1.0 10.00 0.02 0.02) = 0.550% HA ALA 42 - HB3 ASP- 82 8.333% * 0.3039% (0.17 1.0 1.00 0.02 0.02) = 0.304% HA LYS+ 110 - HB3 ASP- 82 8.333% * 0.2992% (0.17 1.0 1.00 0.02 0.02) = 0.299% HB3 SER 49 - HB3 ASP- 82 8.333% * 0.2933% (0.16 1.0 1.00 0.02 0.02) = 0.293% HA GLU- 18 - HB3 ASP- 82 8.333% * 0.2862% (0.16 1.0 1.00 0.02 0.02) = 0.286% HA SER 49 - HB3 ASP- 82 8.333% * 0.2781% (0.15 1.0 1.00 0.02 0.02) = 0.278% HA GLU- 54 - HB3 ASP- 82 8.333% * 0.2590% (0.14 1.0 1.00 0.02 0.02) = 0.259% HA PRO 59 - HB3 ASP- 82 8.333% * 0.1164% (0.06 1.0 1.00 0.02 0.02) = 0.116% HA LYS+ 108 - HB3 ASP- 82 8.333% * 0.1058% (0.06 1.0 1.00 0.02 0.02) = 0.106% HA2 GLY 114 - HB3 ASP- 82 8.333% * 0.0478% (0.03 1.0 1.00 0.02 0.02) = 0.048% Peak 1728 (4.21, 2.17, 41.22 ppm): 11 chemical-shift based assignments, quality = 0.21, support = 3.01, residual support = 29.2: O HA ASP- 82 - HB2 ASP- 82 9.091% * 99.3756% (0.21 10.0 3.03 29.35) = 99.376% kept HA GLU- 109 - HB2 ASP- 82 9.091% * 0.1143% (0.24 1.0 0.02 0.02) = 0.114% HB3 SER 49 - HB2 ASP- 82 9.091% * 0.0917% (0.19 1.0 0.02 0.02) = 0.092% HA LYS+ 110 - HB2 ASP- 82 9.091% * 0.0876% (0.19 1.0 0.02 0.02) = 0.088% HA ALA 42 - HB2 ASP- 82 9.091% * 0.0832% (0.18 1.0 0.02 0.02) = 0.083% HA GLU- 64 - HB2 ASP- 82 9.091% * 0.0695% (0.15 1.0 0.02 0.02) = 0.069% HA GLU- 18 - HB2 ASP- 82 9.091% * 0.0430% (0.09 1.0 0.02 0.02) = 0.043% HA MET 126 - HB2 ASP- 82 9.091% * 0.0391% (0.08 1.0 0.02 0.02) = 0.039% HA SER 49 - HB2 ASP- 82 9.091% * 0.0391% (0.08 1.0 0.02 0.02) = 0.039% HA GLU- 54 - HB2 ASP- 82 9.091% * 0.0319% (0.07 1.0 0.02 0.02) = 0.032% HA LYS+ 44 - HB2 ASP- 82 9.091% * 0.0251% (0.05 1.0 0.02 0.02) = 0.025% Peak 1730 (2.97, 1.92, 41.19 ppm): 6 chemical-shift based assignments, quality = 0.78, support = 2.17, residual support = 11.3: HB2 PHE 21 - HB ILE 29 16.667% * 58.7917% (0.88 3.01 18.47) = 58.792% kept HE2 LYS+ 117 - HB ILE 29 16.667% * 14.1973% (0.71 0.91 0.23) = 14.197% kept HE3 LYS+ 113 - HB ILE 29 16.667% * 14.0396% (0.74 0.86 0.34) = 14.040% kept HA1 GLY 58 - HB ILE 29 16.667% * 12.4966% (0.48 1.18 2.94) = 12.497% kept HB3 ASN 76 - HB ILE 29 16.667% * 0.2689% (0.61 0.02 0.02) = 0.269% HE3 LYS+ 55 - HB ILE 29 16.667% * 0.2059% (0.46 0.02 0.02) = 0.206% Peak 1732 (2.65, 2.17, 41.24 ppm): 3 chemical-shift based assignments, quality = 0.232, support = 3.11, residual support = 28.2: O HB3 ASP- 82 - HB2 ASP- 82 33.333% * 96.1196% (0.23 10.0 3.21 29.35) = 96.120% kept HA1 GLY 58 - HB2 ASP- 82 33.333% * 3.8266% (0.29 1.0 0.64 0.02) = 3.827% kept HE2 LYS+ 120 - HB2 ASP- 82 33.333% * 0.0538% (0.13 1.0 0.02 0.02) = 0.054% Peak 1733 (2.17, 2.65, 41.23 ppm): 10 chemical-shift based assignments, quality = 0.234, support = 2.98, residual support = 26.9: O T HB2 ASP- 82 - HB3 ASP- 82 10.000% * 91.5398% (0.25 10.0 10.00 3.21 29.35) = 91.540% kept T HA1 GLY 58 - HB3 ASP- 82 10.000% * 7.6860% (0.07 1.0 10.00 0.56 0.02) = 7.686% kept HG2 PRO 104 - HB3 ASP- 82 10.000% * 0.4480% (0.23 1.0 1.00 0.11 0.02) = 0.448% HG2 GLN 102 - HB3 ASP- 82 10.000% * 0.0934% (0.25 1.0 1.00 0.02 0.02) = 0.093% HB3 PRO 104 - HB3 ASP- 82 10.000% * 0.0775% (0.21 1.0 1.00 0.02 0.02) = 0.077% HB VAL 99 - HB3 ASP- 82 10.000% * 0.0471% (0.13 1.0 1.00 0.02 0.02) = 0.047% HB3 GLU- 75 - HB3 ASP- 82 10.000% * 0.0395% (0.11 1.0 1.00 0.02 0.02) = 0.039% HG2 MET 126 - HB3 ASP- 82 10.000% * 0.0269% (0.07 1.0 1.00 0.02 0.02) = 0.027% HB3 LYS+ 78 - HB3 ASP- 82 10.000% * 0.0269% (0.07 1.0 1.00 0.02 0.11) = 0.027% HB2 LYS+ 113 - HB3 ASP- 82 10.000% * 0.0149% (0.04 1.0 1.00 0.02 0.02) = 0.015% Peak 1734 (2.17, 2.17, 41.26 ppm): 1 diagonal assignment: HB2 ASP- 82 - HB2 ASP- 82 (0.27) kept Peak 1735 (1.92, 1.92, 41.31 ppm): 1 diagonal assignment: HB ILE 29 - HB ILE 29 (0.96) kept Peak 1736 (0.95, 1.92, 41.22 ppm): 9 chemical-shift based assignments, quality = 0.85, support = 5.14, residual support = 60.4: O QG2 ILE 29 - HB ILE 29 11.111% * 52.0048% (0.89 10.0 4.84 60.56) = 52.005% kept O HG12 ILE 29 - HB ILE 29 11.111% * 47.6875% (0.81 10.0 5.50 60.56) = 47.688% kept HG3 LYS+ 63 - HB ILE 29 11.111% * 0.0545% (0.93 1.0 0.02 0.02) = 0.054% QG2 VAL 99 - HB ILE 29 11.111% * 0.0531% (0.91 1.0 0.02 0.02) = 0.053% HG12 ILE 68 - HB ILE 29 11.111% * 0.0520% (0.89 1.0 0.02 0.02) = 0.052% QG2 VAL 62 - HB ILE 29 11.111% * 0.0493% (0.84 1.0 0.02 0.02) = 0.049% HG LEU 74 - HB ILE 29 11.111% * 0.0388% (0.66 1.0 0.02 0.32) = 0.039% QG1 VAL 105 - HB ILE 29 11.111% * 0.0311% (0.53 1.0 0.02 0.02) = 0.031% QD1 LEU 17 - HB ILE 29 11.111% * 0.0289% (0.49 1.0 0.02 6.02) = 0.029% Peak 1738 (2.97, 2.66, 40.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1739 (1.85, 1.67, 40.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1740 (1.66, 2.65, 41.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1742 (9.26, 1.67, 40.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1746 (1.67, 1.67, 40.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1747 (1.40, 1.67, 40.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1748 (1.22, 1.66, 40.74 ppm): 1 chemical-shift based assignment, quality = 0.127, support = 2.69, residual support = 11.0: T HG LEU 74 - HB ILE 100 100.000% *100.0000% (0.13 10.00 2.69 11.04) = 100.000% kept Peak 1749 (0.86, 1.67, 40.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1750 (4.60, 3.10, 40.11 ppm): 2 chemical-shift based assignments, quality = 0.538, support = 2.31, residual support = 23.7: O HA ASP- 25 - HB3 ASP- 25 50.000% * 99.9781% (0.54 10.0 2.31 23.69) = 99.978% kept HA LYS+ 72 - HB3 ASP- 25 50.000% * 0.0219% (0.12 1.0 0.02 0.02) = 0.022% Peak 1751 (4.60, 2.62, 40.12 ppm): 1 chemical-shift based assignment, quality = 0.625, support = 2.31, residual support = 23.7: O HA ASP- 25 - HB2 ASP- 25 100.000% *100.0000% (0.62 10.0 2.31 23.69) = 100.000% kept Peak 1753 (2.63, 3.10, 40.14 ppm): 5 chemical-shift based assignments, quality = 0.425, support = 1.95, residual support = 22.9: O T HB2 ASP- 25 - HB3 ASP- 25 20.000% * 96.5388% (0.42 10.0 10.00 2.00 23.69) = 96.539% kept HA1 GLY 58 - HB3 ASP- 25 20.000% * 3.2040% (0.61 1.0 1.00 0.46 0.02) = 3.204% kept HB3 ASP- 82 - HB3 ASP- 25 20.000% * 0.1174% (0.51 1.0 1.00 0.02 0.02) = 0.117% HE2 LYS+ 20 - HB3 ASP- 25 20.000% * 0.1021% (0.44 1.0 1.00 0.02 0.02) = 0.102% HB3 ASP- 36 - HB3 ASP- 25 20.000% * 0.0378% (0.16 1.0 1.00 0.02 0.02) = 0.038% Peak 1754 (3.11, 3.11, 39.97 ppm): 1 diagonal assignment: HB3 ASP- 25 - HB3 ASP- 25 (0.11) kept Peak 1755 (3.11, 2.62, 40.08 ppm): 7 chemical-shift based assignments, quality = 0.305, support = 1.97, residual support = 23.3: O T HB3 ASP- 25 - HB2 ASP- 25 14.286% * 98.4826% (0.31 10.0 10.00 2.00 23.69) = 98.483% kept T HA1 GLY 58 - HB2 ASP- 25 14.286% * 0.8466% (0.27 1.0 10.00 0.02 0.02) = 0.847% HE3 LYS+ 81 - HB2 ASP- 25 14.286% * 0.1635% (0.51 1.0 1.00 0.02 0.02) = 0.163% HA VAL 47 - HB2 ASP- 25 14.286% * 0.1405% (0.44 1.0 1.00 0.02 0.02) = 0.141% HE3 LYS+ 72 - HB2 ASP- 25 14.286% * 0.1294% (0.41 1.0 1.00 0.02 0.02) = 0.129% HE3 LYS+ 117 - HB2 ASP- 25 14.286% * 0.1187% (0.37 1.0 1.00 0.02 0.02) = 0.119% HE3 LYS+ 108 - HB2 ASP- 25 14.286% * 0.1187% (0.37 1.0 1.00 0.02 0.02) = 0.119% Peak 1756 (2.99, 2.98, 39.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1757 (2.76, 2.98, 39.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1758 (0.95, 2.97, 39.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1759 (0.95, 2.74, 39.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1760 (2.99, 2.76, 39.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 8 chemical-shift based assignments, quality = 0.543, support = 4.37, residual support = 27.3: HN SER 49 - HB ILE 48 12.500% * 64.2452% (0.50 6.13 39.31) = 64.245% kept HN LEU 67 - HB ILE 48 12.500% * 19.4596% (0.67 1.38 9.52) = 19.460% kept HN GLY 58 - HB ILE 48 12.500% * 14.6014% (0.60 1.15 1.60) = 14.601% kept HN LYS+ 81 - HB ILE 48 12.500% * 1.0918% (0.67 0.08 0.02) = 1.092% kept HN THR 106 - HB ILE 48 12.500% * 0.2550% (0.60 0.02 0.02) = 0.255% HN ASP- 115 - HB ILE 48 12.500% * 0.2333% (0.55 0.02 0.02) = 0.233% HN VAL 94 - HB ILE 48 12.500% * 0.0604% (0.14 0.02 0.02) = 0.060% HN VAL 105 - HB ILE 48 12.500% * 0.0535% (0.13 0.02 0.02) = 0.053% Peak 1767 (8.20, 2.80, 38.93 ppm): 18 chemical-shift based assignments, quality = 0.105, support = 1.44, residual support = 7.63: O HN ASN 119 - HB2 ASN 119 5.556% * 53.3687% (0.12 10.0 1.36 7.75) = 53.369% kept O HN ASN 119 - HB3 ASN 119 5.556% * 45.1443% (0.09 10.0 1.58 7.75) = 45.144% kept HN LYS+ 117 - HB3 ASN 89 5.556% * 0.2028% (0.31 1.0 0.02 0.02) = 0.203% HN ALA 33 - HB3 ASN 89 5.556% * 0.1923% (0.30 1.0 0.02 0.02) = 0.192% HN ASN 119 - HB3 ASN 89 5.556% * 0.1698% (0.26 1.0 0.02 0.02) = 0.170% HN GLU- 45 - HB3 ASN 89 5.556% * 0.1476% (0.23 1.0 0.02 0.02) = 0.148% HN VAL 105 - HB3 ASN 89 5.556% * 0.0990% (0.15 1.0 0.02 0.02) = 0.099% HN LYS+ 117 - HB2 ASN 119 5.556% * 0.0935% (0.15 1.0 0.02 0.02) = 0.094% HN VAL 94 - HB3 ASN 89 5.556% * 0.0911% (0.14 1.0 0.02 0.02) = 0.091% HN ALA 33 - HB2 ASN 119 5.556% * 0.0886% (0.14 1.0 0.02 0.02) = 0.089% HN LYS+ 117 - HB3 ASN 119 5.556% * 0.0682% (0.11 1.0 0.02 0.02) = 0.068% HN GLU- 45 - HB2 ASN 119 5.556% * 0.0680% (0.11 1.0 0.02 0.02) = 0.068% HN ALA 33 - HB3 ASN 119 5.556% * 0.0647% (0.10 1.0 0.02 0.02) = 0.065% HN GLU- 45 - HB3 ASN 119 5.556% * 0.0497% (0.08 1.0 0.02 0.02) = 0.050% HN VAL 105 - HB2 ASN 119 5.556% * 0.0456% (0.07 1.0 0.02 0.02) = 0.046% HN VAL 94 - HB2 ASN 119 5.556% * 0.0420% (0.07 1.0 0.02 0.02) = 0.042% HN VAL 105 - HB3 ASN 119 5.556% * 0.0333% (0.05 1.0 0.02 0.02) = 0.033% HN VAL 94 - HB3 ASN 119 5.556% * 0.0307% (0.05 1.0 0.02 0.02) = 0.031% Peak 1768 (7.64, 2.80, 38.93 ppm): 12 chemical-shift based assignments, quality = 0.291, support = 0.995, residual support = 5.87: O HD21 ASN 89 - HB3 ASN 89 8.333% * 99.5072% (0.29 10.0 1.00 5.90) = 99.507% kept HD21 ASN 57 - HB3 ASN 89 8.333% * 0.0971% (0.14 1.0 0.02 0.02) = 0.097% HD21 ASN 89 - HB2 ASN 119 8.333% * 0.0931% (0.14 1.0 0.02 0.02) = 0.093% HD21 ASN 89 - HB3 ASN 119 8.333% * 0.0838% (0.12 1.0 0.02 0.02) = 0.084% HD21 ASN 57 - HB2 ASN 119 8.333% * 0.0454% (0.07 1.0 0.02 0.02) = 0.045% HD21 ASN 57 - HB3 ASN 119 8.333% * 0.0409% (0.06 1.0 0.02 0.02) = 0.041% HN TYR 83 - HB3 ASN 89 8.333% * 0.0395% (0.06 1.0 0.02 0.02) = 0.039% HN ASP- 25 - HB3 ASN 89 8.333% * 0.0308% (0.05 1.0 0.02 0.02) = 0.031% HN TYR 83 - HB2 ASN 119 8.333% * 0.0185% (0.03 1.0 0.02 0.02) = 0.018% HN TYR 83 - HB3 ASN 119 8.333% * 0.0166% (0.02 1.0 0.02 0.02) = 0.017% HN ASP- 25 - HB2 ASN 119 8.333% * 0.0144% (0.02 1.0 0.02 0.02) = 0.014% HN ASP- 25 - HB3 ASN 119 8.333% * 0.0130% (0.02 1.0 0.02 0.02) = 0.013% Peak 1769 (7.07, 2.33, 39.09 ppm): 2 chemical-shift based assignments, quality = 0.304, support = 3.45, residual support = 56.0: O T QD TYR 83 - HB2 TYR 83 50.000% * 99.9745% (0.30 10.0 10.00 3.45 56.01) = 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): 6 chemical-shift based assignments, quality = 0.17, support = 1.2, residual support = 7.32: O HD21 ASN 119 - HB2 ASN 119 16.667% * 72.7022% (0.19 10.0 1.31 7.75) = 72.702% kept O HD21 ASN 119 - HB3 ASN 119 16.667% * 21.6272% (0.07 10.0 1.00 7.75) = 21.627% kept QD PHE 21 - HB3 ASN 89 16.667% * 5.3595% (0.26 1.0 0.70 0.25) = 5.359% kept HD21 ASN 119 - HB3 ASN 89 16.667% * 0.1326% (0.23 1.0 0.02 0.02) = 0.133% QD PHE 21 - HB2 ASN 119 16.667% * 0.1286% (0.22 1.0 0.02 0.02) = 0.129% QD PHE 21 - HB3 ASN 119 16.667% * 0.0500% (0.09 1.0 0.02 0.02) = 0.050% Peak 1771 (4.72, 2.80, 38.92 ppm): 12 chemical-shift based assignments, quality = 0.113, support = 0.506, residual support = 0.906: HA MET 118 - HB2 ASN 119 8.333% * 49.0485% (0.03 0.99 1.82) = 49.048% kept HA2 GLY 30 - HB2 ASN 119 8.333% * 18.0184% (0.14 0.09 0.02) = 18.018% kept HA PRO 31 - HB3 ASN 89 8.333% * 9.9934% (0.34 0.02 0.02) = 9.993% kept HA2 GLY 30 - HB3 ASN 89 8.333% * 8.3658% (0.28 0.02 0.02) = 8.366% kept HA PRO 31 - HB2 ASN 119 8.333% * 5.0102% (0.17 0.02 0.02) = 5.010% kept HA PRO 31 - HB3 ASN 119 8.333% * 2.4024% (0.08 0.02 0.02) = 2.402% kept HA2 GLY 30 - HB3 ASN 119 8.333% * 2.0111% (0.07 0.02 0.02) = 2.011% kept HA MET 118 - HB3 ASN 89 8.333% * 1.9821% (0.07 0.02 0.24) = 1.982% kept HA VAL 40 - HB3 ASN 89 8.333% * 1.5454% (0.05 0.02 0.02) = 1.545% kept HA VAL 40 - HB2 ASN 119 8.333% * 0.7748% (0.03 0.02 0.02) = 0.775% HA MET 118 - HB3 ASN 119 8.333% * 0.4765% (0.02 0.02 1.82) = 0.476% HA VAL 40 - HB3 ASN 119 8.333% * 0.3715% (0.01 0.02 0.02) = 0.372% Not enough quality. Peak unassigned. Peak 1772 (3.35, 3.35, 39.08 ppm): 1 diagonal assignment: HB3 TYR 83 - HB3 TYR 83 (0.24) kept Peak 1773 (3.35, 2.33, 39.07 ppm): 1 chemical-shift based assignment, quality = 0.334, support = 2.0, residual support = 56.0: O T HB3 TYR 83 - HB2 TYR 83 100.000% *100.0000% (0.33 10.0 10.00 2.00 56.01) = 100.000% kept Peak 1779 (2.81, 2.75, 39.03 ppm): 1 diagonal assignment: HB2 ASN 119 - HB2 ASN 119 (0.04) kept Peak 1781 (2.79, 2.82, 39.01 ppm): 2 diagonal assignments: HB2 ASN 119 - HB2 ASN 119 (0.09) kept HB3 ASN 89 - HB3 ASN 89 (0.09) kept Peak 1786 (2.33, 3.35, 39.10 ppm): 6 chemical-shift based assignments, quality = 0.354, support = 1.97, residual support = 53.8: O T HB2 TYR 83 - HB3 TYR 83 16.667% * 96.0291% (0.36 10.0 10.00 2.00 56.01) = 96.029% kept HA1 GLY 58 - HB3 TYR 83 16.667% * 3.8076% (0.21 1.0 1.00 1.35 0.96) = 3.808% kept HG3 GLU- 50 - HB3 TYR 83 16.667% * 0.0594% (0.22 1.0 1.00 0.02 0.02) = 0.059% HB3 PRO 86 - HB3 TYR 83 16.667% * 0.0477% (0.18 1.0 1.00 0.02 0.02) = 0.048% HB2 CYS 121 - HB3 TYR 83 16.667% * 0.0368% (0.14 1.0 1.00 0.02 0.41) = 0.037% HG3 GLU- 64 - HB3 TYR 83 16.667% * 0.0194% (0.07 1.0 1.00 0.02 0.02) = 0.019% 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): 3 chemical-shift based assignments, quality = 0.632, support = 4.95, residual support = 113.8: O T QD1 ILE 48 - HB ILE 48 33.333% * 42.5895% (0.70 10.0 10.00 6.04 113.80) = 42.589% kept O HG12 ILE 48 - HB ILE 48 33.333% * 42.5895% (0.70 10.0 1.00 3.89 113.80) = 42.589% kept O HG13 ILE 48 - HB ILE 48 33.333% * 14.8211% (0.24 10.0 1.00 4.85 113.80) = 14.821% kept Peak 1791 (7.31, 1.74, 38.80 ppm): 7 chemical-shift based assignments, quality = 0.556, support = 5.09, residual support = 82.5: O HN ILE 48 - HB ILE 48 14.286% * 69.5856% (0.53 10.0 5.78 113.80) = 69.586% kept HN VAL 47 - HB ILE 48 14.286% * 19.1882% (0.62 1.0 4.73 16.99) = 19.188% kept QD PHE 34 - HB ILE 48 14.286% * 6.5167% (0.56 1.0 1.77 0.68) = 6.517% kept HN ARG+ 84 - HB ILE 48 14.286% * 4.3230% (0.65 1.0 1.02 0.64) = 4.323% kept QE PHE 34 - HB ILE 48 14.286% * 0.3301% (0.22 1.0 0.23 0.68) = 0.330% HZ2 TRP 51 - HB ILE 48 14.286% * 0.0282% (0.22 1.0 0.02 2.35) = 0.028% HZ PHE 34 - HB ILE 48 14.286% * 0.0282% (0.22 1.0 0.02 0.68) = 0.028% Peak 1792 (2.99, 2.98, 38.76 ppm): 1 diagonal assignment: HB3 ASN 76 - HB3 ASN 76 (0.87) kept 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): 8 chemical-shift based assignments, quality = 0.414, support = 6.13, residual support = 107.5: O QG2 ILE 48 - HB ILE 48 12.500% * 94.3126% (0.44 10.0 6.44 113.80) = 94.313% kept HG LEU 74 - HB ILE 48 12.500% * 2.4981% (0.10 1.0 2.25 5.19) = 2.498% kept QD1 ILE 68 - HB ILE 48 12.500% * 0.9615% (0.60 1.0 0.15 0.02) = 0.962% HG LEU 67 - HB ILE 48 12.500% * 0.8866% (0.16 1.0 0.52 9.52) = 0.887% QG2 ILE 101 - HB ILE 48 12.500% * 0.7159% (0.36 1.0 0.18 0.02) = 0.716% HG2 PRO 59 - HB ILE 48 12.500% * 0.3995% (0.18 1.0 0.21 0.02) = 0.400% QG2 VAL 40 - HB ILE 48 12.500% * 0.1370% (0.63 1.0 0.02 0.02) = 0.137% HG3 LYS+ 66 - HB ILE 48 12.500% * 0.0888% (0.41 1.0 0.02 0.02) = 0.089% Peak 1801 (7.42, 2.06, 37.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1802 (4.27, 2.28, 37.56 ppm): 14 chemical-shift based assignments, quality = 0.209, support = 0.605, residual support = 3.84: HA VAL 65 - HG3 GLU- 64 7.143% * 40.2232% (0.29 0.64 8.83) = 40.223% kept HA GLU- 56 - HG3 GLU- 64 7.143% * 30.8582% (0.16 0.87 0.68) = 30.858% kept HA GLU- 75 - HG3 GLU- 64 7.143% * 7.3930% (0.23 0.15 0.02) = 7.393% kept HA PRO 59 - HG3 GLU- 64 7.143% * 6.9769% (0.06 0.56 0.87) = 6.977% kept HA LYS+ 108 - HG3 GLU- 64 7.143% * 6.1486% (0.06 0.44 0.02) = 6.149% kept HA SER 85 - HG3 GLU- 64 7.143% * 1.2523% (0.29 0.02 0.02) = 1.252% kept HD3 PRO 59 - HG3 GLU- 64 7.143% * 1.2523% (0.29 0.02 0.87) = 1.252% kept HA PRO 52 - HG3 GLU- 64 7.143% * 1.2523% (0.29 0.02 0.02) = 1.252% kept HA ALA 91 - HG3 GLU- 64 7.143% * 1.2440% (0.29 0.02 0.02) = 1.244% kept HA ARG+ 84 - HG3 GLU- 64 7.143% * 1.2440% (0.29 0.02 0.02) = 1.244% kept HA THR 106 - HG3 GLU- 64 7.143% * 0.8119% (0.19 0.02 0.02) = 0.812% HA LEU 90 - HG3 GLU- 64 7.143% * 0.6109% (0.14 0.02 0.02) = 0.611% HA2 GLY 114 - HG3 GLU- 64 7.143% * 0.5627% (0.13 0.02 0.02) = 0.563% HA PRO 104 - HG3 GLU- 64 7.143% * 0.1699% (0.04 0.02 0.02) = 0.170% Peak 1803 (4.27, 2.06, 37.52 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1804 (2.29, 2.05, 37.57 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1805 (2.05, 2.28, 37.45 ppm): 13 chemical-shift based assignments, quality = 0.139, support = 0.291, residual support = 3.13: HB VAL 62 - HG3 GLU- 64 7.692% * 52.8744% (0.15 0.43 5.60) = 52.874% kept HG3 PRO 86 - HG3 GLU- 64 7.692% * 22.7136% (0.15 0.18 0.74) = 22.714% kept HB3 GLU- 75 - HG3 GLU- 64 7.692% * 13.5172% (0.11 0.15 0.02) = 13.517% kept HB2 GLU- 45 - HG3 GLU- 64 7.692% * 2.5804% (0.16 0.02 0.02) = 2.580% kept HB3 LYS+ 110 - HG3 GLU- 64 7.692% * 1.9896% (0.12 0.02 0.02) = 1.990% kept HB3 GLU- 107 - HG3 GLU- 64 7.692% * 1.5790% (0.10 0.02 0.02) = 1.579% kept HB3 GLU- 45 - HG3 GLU- 64 7.692% * 1.1672% (0.07 0.02 0.02) = 1.167% kept HG3 ARG+ 53 - HG3 GLU- 64 7.692% * 1.0703% (0.07 0.02 0.02) = 1.070% kept HB2 LYS+ 44 - HG3 GLU- 64 7.692% * 0.6492% (0.04 0.02 0.02) = 0.649% HB3 PRO 31 - HG3 GLU- 64 7.692% * 0.6492% (0.04 0.02 0.02) = 0.649% HB2 PRO 112 - HG3 GLU- 64 7.692% * 0.4559% (0.03 0.02 0.02) = 0.456% HB3 LYS+ 120 - HG3 GLU- 64 7.692% * 0.4017% (0.02 0.02 0.02) = 0.402% HB3 PRO 112 - HG3 GLU- 64 7.692% * 0.3523% (0.02 0.02 0.02) = 0.352% Not enough quality. Peak unassigned. Peak 1806 (2.05, 2.06, 37.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1809 (4.40, 2.90, 37.38 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1810 (2.90, 2.90, 37.37 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1812 (8.50, 2.22, 37.05 ppm): 12 chemical-shift based assignments, quality = 0.329, support = 3.8, residual support = 26.3: HN GLU- 18 - HG3 GLU- 18 8.333% * 97.7568% (0.34 3.88 26.94) = 97.757% kept HN GLU- 18 - HG3 GLU- 75 8.333% * 1.0342% (0.06 0.23 0.14) = 1.034% kept HN GLY 92 - HG3 GLU- 75 8.333% * 0.3455% (0.02 0.28 0.02) = 0.346% HN GLU- 18 - HG3 GLU- 107 8.333% * 0.2055% (0.14 0.02 0.87) = 0.205% HN GLY 92 - HG3 GLU- 18 8.333% * 0.1401% (0.09 0.02 0.02) = 0.140% HN GLU- 18 - HG3 GLU- 109 8.333% * 0.1383% (0.09 0.02 0.02) = 0.138% HN GLU- 18 - HG2 GLU- 56 8.333% * 0.1133% (0.08 0.02 0.02) = 0.113% HN GLU- 18 - HG3 GLU- 54 8.333% * 0.1090% (0.07 0.02 0.02) = 0.109% HN GLY 92 - HG3 GLU- 107 8.333% * 0.0571% (0.04 0.02 0.02) = 0.057% HN GLY 92 - HG3 GLU- 109 8.333% * 0.0384% (0.03 0.02 0.02) = 0.038% HN GLY 92 - HG2 GLU- 56 8.333% * 0.0315% (0.02 0.02 0.02) = 0.032% HN GLY 92 - HG3 GLU- 54 8.333% * 0.0303% (0.02 0.02 0.02) = 0.030% Peak 1814 (8.22, 2.46, 36.88 ppm): 18 chemical-shift based assignments, quality = 0.388, support = 5.05, residual support = 30.6: HN GLU- 45 - HG3 GLU- 45 5.556% * 59.3417% (0.46 5.62 33.54) = 59.342% kept HN GLU- 45 - HG2 GLU- 45 5.556% * 31.8182% (0.26 5.35 33.54) = 31.818% kept HN SER 49 - HG3 GLU- 45 5.556% * 3.0959% (0.58 0.23 0.02) = 3.096% kept HN SER 49 - HG2 GLU- 45 5.556% * 1.8722% (0.33 0.25 0.02) = 1.872% kept HN GLY 58 - HG3 GLU- 45 5.556% * 1.1427% (0.48 0.10 3.06) = 1.143% kept HN LEU 67 - HG3 GLU- 45 5.556% * 1.1343% (0.40 0.12 0.02) = 1.134% kept HN VAL 94 - HG3 GLU- 45 5.556% * 0.2838% (0.61 0.02 0.24) = 0.284% HN VAL 105 - HG3 GLU- 45 5.556% * 0.2757% (0.60 0.02 0.02) = 0.276% HN LYS+ 81 - HG3 GLU- 45 5.556% * 0.1865% (0.40 0.02 0.02) = 0.186% HN VAL 94 - HG2 GLU- 45 5.556% * 0.1597% (0.35 0.02 0.24) = 0.160% HN VAL 105 - HG2 GLU- 45 5.556% * 0.1552% (0.34 0.02 0.02) = 0.155% HN GLY 58 - HG2 GLU- 45 5.556% * 0.1256% (0.27 0.02 3.06) = 0.126% HN LEU 67 - HG2 GLU- 45 5.556% * 0.1049% (0.23 0.02 0.02) = 0.105% HN LYS+ 81 - HG2 GLU- 45 5.556% * 0.1049% (0.23 0.02 0.02) = 0.105% HN LYS+ 117 - HG3 GLU- 45 5.556% * 0.0855% (0.19 0.02 0.02) = 0.085% HN LYS+ 117 - HG2 GLU- 45 5.556% * 0.0481% (0.10 0.02 0.02) = 0.048% HN THR 106 - HG3 GLU- 45 5.556% * 0.0416% (0.09 0.02 0.02) = 0.042% HN THR 106 - HG2 GLU- 45 5.556% * 0.0234% (0.05 0.02 0.02) = 0.023% Peak 1815 (8.23, 2.13, 36.88 ppm): 10 chemical-shift based assignments, quality = 0.381, support = 0.93, residual support = 1.48: HN GLY 58 - HG3 GLU- 56 10.000% * 44.2486% (0.40 1.34 2.95) = 44.249% kept HN SER 49 - HG3 GLU- 56 10.000% * 27.0991% (0.44 0.75 0.31) = 27.099% kept HN LYS+ 81 - HG3 GLU- 56 10.000% * 14.4256% (0.36 0.49 0.02) = 14.426% kept HN GLU- 45 - HG3 GLU- 56 10.000% * 10.2261% (0.22 0.57 0.87) = 10.226% kept HN VAL 105 - HG3 GLU- 56 10.000% * 2.4089% (0.33 0.09 0.02) = 2.409% kept HN LEU 67 - HG3 GLU- 56 10.000% * 0.5883% (0.36 0.02 0.02) = 0.588% HN VAL 94 - HG3 GLU- 56 10.000% * 0.5615% (0.34 0.02 0.02) = 0.562% HN THR 106 - HG3 GLU- 56 10.000% * 0.1832% (0.11 0.02 0.02) = 0.183% HN ASP- 115 - HG3 GLU- 56 10.000% * 0.1454% (0.09 0.02 0.02) = 0.145% HN LYS+ 117 - HG3 GLU- 56 10.000% * 0.1134% (0.07 0.02 0.02) = 0.113% 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): 30 chemical-shift based assignments, quality = 0.379, support = 1.26, residual support = 7.56: O HA GLU- 107 - HG3 GLU- 107 3.333% * 84.5634% (0.36 10.0 1.38 8.82) = 84.563% kept HA GLU- 107 - HG3 GLU- 18 3.333% * 6.8123% (0.65 1.0 0.62 0.87) = 6.812% kept HA MET 97 - HG3 GLU- 18 3.333% * 4.9467% (0.32 1.0 0.92 0.46) = 4.947% kept HA LYS+ 113 - HG3 GLU- 18 3.333% * 2.2901% (0.55 1.0 0.25 0.92) = 2.290% kept HA PRO 116 - HG3 GLU- 18 3.333% * 0.1179% (0.35 1.0 0.02 0.02) = 0.118% HA LYS+ 113 - HG3 GLU- 107 3.333% * 0.1036% (0.31 1.0 0.02 0.02) = 0.104% HA GLU- 107 - HG3 GLU- 109 3.333% * 0.0978% (0.29 1.0 0.02 0.02) = 0.098% HA GLU- 107 - HG3 GLU- 54 3.333% * 0.0964% (0.29 1.0 0.02 0.02) = 0.096% HA LYS+ 113 - HG3 GLU- 109 3.333% * 0.0828% (0.24 1.0 0.02 0.02) = 0.083% HA LYS+ 113 - HG3 GLU- 54 3.333% * 0.0816% (0.24 1.0 0.02 0.02) = 0.082% HA ASP- 115 - HG3 GLU- 18 3.333% * 0.0797% (0.24 1.0 0.02 0.02) = 0.080% HA PRO 116 - HG3 GLU- 107 3.333% * 0.0658% (0.19 1.0 0.02 0.02) = 0.066% HA MET 97 - HG3 GLU- 107 3.333% * 0.0601% (0.18 1.0 0.02 0.02) = 0.060% HA PRO 116 - HG3 GLU- 109 3.333% * 0.0526% (0.16 1.0 0.02 0.02) = 0.053% HA PRO 116 - HG3 GLU- 54 3.333% * 0.0519% (0.15 1.0 0.02 0.02) = 0.052% HA MET 97 - HG3 GLU- 109 3.333% * 0.0480% (0.14 1.0 0.02 0.02) = 0.048% HA MET 97 - HG3 GLU- 54 3.333% * 0.0474% (0.14 1.0 0.02 0.02) = 0.047% HA GLU- 107 - HG3 GLU- 75 3.333% * 0.0457% (0.14 1.0 0.02 0.02) = 0.046% HA ASP- 115 - HG3 GLU- 107 3.333% * 0.0445% (0.13 1.0 0.02 0.02) = 0.045% HA GLU- 107 - HG2 GLU- 56 3.333% * 0.0427% (0.13 1.0 0.02 0.02) = 0.043% HA LYS+ 113 - HG3 GLU- 75 3.333% * 0.0387% (0.11 1.0 0.02 0.02) = 0.039% HA LYS+ 113 - HG2 GLU- 56 3.333% * 0.0362% (0.11 1.0 0.02 0.02) = 0.036% HA ASP- 115 - HG3 GLU- 109 3.333% * 0.0356% (0.11 1.0 0.02 0.02) = 0.036% HA ASP- 115 - HG3 GLU- 54 3.333% * 0.0351% (0.10 1.0 0.02 0.02) = 0.035% HA PRO 116 - HG3 GLU- 75 3.333% * 0.0246% (0.07 1.0 0.02 0.02) = 0.025% HA PRO 116 - HG2 GLU- 56 3.333% * 0.0230% (0.07 1.0 0.02 0.02) = 0.023% HA MET 97 - HG3 GLU- 75 3.333% * 0.0224% (0.07 1.0 0.02 0.02) = 0.022% HA MET 97 - HG2 GLU- 56 3.333% * 0.0210% (0.06 1.0 0.02 0.02) = 0.021% HA ASP- 115 - HG3 GLU- 75 3.333% * 0.0166% (0.05 1.0 0.02 0.02) = 0.017% HA ASP- 115 - HG2 GLU- 56 3.333% * 0.0156% (0.05 1.0 0.02 0.02) = 0.016% Peak 1818 (4.81, 1.89, 37.06 ppm): 5 chemical-shift based assignments, quality = 0.426, support = 0.774, residual support = 0.763: HA GLU- 107 - HG2 GLU- 18 20.000% * 36.9336% (0.60 0.57 0.87) = 36.934% kept HA LYS+ 113 - HG2 GLU- 18 20.000% * 34.9033% (0.29 1.11 0.92) = 34.903% kept HA MET 97 - HG2 GLU- 18 20.000% * 26.5852% (0.37 0.67 0.46) = 26.585% kept HA PRO 116 - HG2 GLU- 18 20.000% * 1.3606% (0.16 0.08 0.02) = 1.361% kept HA ASP- 115 - HG2 GLU- 18 20.000% * 0.2173% (0.10 0.02 0.02) = 0.217% Peak 1819 (3.87, 2.13, 36.90 ppm): 10 chemical-shift based assignments, quality = 0.244, support = 1.15, residual support = 0.809: HA ILE 48 - HG3 GLU- 56 10.000% * 55.0704% (0.20 1.62 1.45) = 55.070% kept HA LYS+ 44 - HG3 GLU- 56 10.000% * 36.2060% (0.30 0.69 0.02) = 36.206% kept HA VAL 87 - HG3 GLU- 56 10.000% * 1.5618% (0.45 0.02 0.02) = 1.562% kept HB2 SER 85 - HG3 GLU- 56 10.000% * 1.5072% (0.44 0.02 0.02) = 1.507% kept HB3 SER 88 - HG3 GLU- 56 10.000% * 1.4708% (0.42 0.02 0.02) = 1.471% kept HA VAL 125 - HG3 GLU- 56 10.000% * 1.1570% (0.33 0.02 0.02) = 1.157% kept HD2 PRO 116 - HG3 GLU- 56 10.000% * 1.0307% (0.30 0.02 0.02) = 1.031% kept HD2 PRO 86 - HG3 GLU- 56 10.000% * 0.9021% (0.26 0.02 0.02) = 0.902% HD3 PRO 86 - HG3 GLU- 56 10.000% * 0.8383% (0.24 0.02 0.02) = 0.838% HB3 SER 77 - HG3 GLU- 56 10.000% * 0.2556% (0.07 0.02 0.02) = 0.256% Peak 1820 (2.46, 2.13, 36.97 ppm): 4 chemical-shift based assignments, quality = 0.194, support = 1.22, residual support = 1.63: T HG3 GLU- 45 - HG3 GLU- 56 25.000% * 46.4436% (0.18 10.00 0.47 0.87) = 46.444% kept HA1 GLY 58 - HG3 GLU- 56 25.000% * 36.5319% (0.26 1.00 2.55 2.95) = 36.532% kept T HG2 GLU- 45 - HG3 GLU- 56 25.000% * 16.8674% (0.07 10.00 0.43 0.87) = 16.867% kept HB VAL 40 - HG3 GLU- 56 25.000% * 0.1572% (0.15 1.00 0.02 0.02) = 0.157% Not enough quality. Peak unassigned. Peak 1821 (2.22, 1.89, 37.10 ppm): 14 chemical-shift based assignments, quality = 0.473, support = 1.29, residual support = 22.6: O HG3 GLU- 18 - HG2 GLU- 18 7.143% * 83.3102% (0.50 10.0 1.34 26.94) = 83.310% kept HG3 GLU- 107 - HG2 GLU- 18 7.143% * 4.8659% (0.51 1.0 0.77 0.87) = 4.866% kept HB2 LYS+ 113 - HG2 GLU- 18 7.143% * 4.6961% (0.32 1.0 1.18 0.92) = 4.696% kept HA1 GLY 58 - HG2 GLU- 18 7.143% * 4.1546% (0.19 1.0 1.79 1.44) = 4.155% kept HB2 GLU- 50 - HG2 GLU- 18 7.143% * 1.2024% (0.52 1.0 0.19 0.14) = 1.202% kept HB VAL 99 - HG2 GLU- 18 7.143% * 0.7435% (0.12 1.0 0.51 0.02) = 0.743% HG3 MET 118 - HG2 GLU- 18 7.143% * 0.4240% (0.44 1.0 0.08 0.02) = 0.424% HG3 GLU- 109 - HG2 GLU- 18 7.143% * 0.1311% (0.53 1.0 0.02 0.02) = 0.131% HG3 MET 126 - HG2 GLU- 18 7.143% * 0.1299% (0.53 1.0 0.02 0.02) = 0.130% HG3 GLU- 54 - HG2 GLU- 18 7.143% * 0.1002% (0.41 1.0 0.02 0.02) = 0.100% HB3 PRO 52 - HG2 GLU- 18 7.143% * 0.0952% (0.39 1.0 0.02 0.02) = 0.095% HG3 GLU- 75 - HG2 GLU- 18 7.143% * 0.0638% (0.26 1.0 0.02 0.14) = 0.064% HG2 MET 126 - HG2 GLU- 18 7.143% * 0.0539% (0.22 1.0 0.02 0.02) = 0.054% HG2 GLU- 56 - HG2 GLU- 18 7.143% * 0.0292% (0.12 1.0 0.02 0.02) = 0.029% Peak 1823 (1.89, 1.89, 37.09 ppm): 1 diagonal assignment: HG2 GLU- 18 - HG2 GLU- 18 (0.55) kept Peak 1824 (0.96, 2.13, 36.88 ppm): 9 chemical-shift based assignments, quality = 0.316, support = 0.392, residual support = 0.14: HG12 ILE 29 - HG3 GLU- 56 11.111% * 35.3511% (0.29 0.65 0.25) = 35.351% kept QG2 VAL 62 - HG3 GLU- 56 11.111% * 19.3880% (0.31 0.34 0.02) = 19.388% kept QG2 ILE 29 - HG3 GLU- 56 11.111% * 16.6552% (0.34 0.26 0.25) = 16.655% kept HG LEU 74 - HG3 GLU- 56 11.111% * 15.6932% (0.32 0.26 0.02) = 15.693% kept HG3 LYS+ 63 - HG3 GLU- 56 11.111% * 8.8932% (0.39 0.12 0.02) = 8.893% kept QG2 VAL 99 - HG3 GLU- 56 11.111% * 1.6563% (0.44 0.02 0.02) = 1.656% kept HG12 ILE 68 - HG3 GLU- 56 11.111% * 1.2771% (0.34 0.02 0.02) = 1.277% kept QG1 VAL 105 - HG3 GLU- 56 11.111% * 0.5700% (0.15 0.02 0.02) = 0.570% QD1 LEU 17 - HG3 GLU- 56 11.111% * 0.5158% (0.14 0.02 0.02) = 0.516% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 1825 (9.09, 2.27, 36.54 ppm): 2 chemical-shift based assignments, quality = 0.0676, support = 0.299, residual support = 0.272: HN GLU- 54 - HG2 GLU- 56 50.000% * 92.5321% (0.07 0.32 0.29) = 92.532% kept HN LYS+ 66 - HG2 GLU- 56 50.000% * 7.4679% (0.09 0.02 0.02) = 7.468% kept Not enough quality. Peak unassigned. Peak 1826 (8.96, 1.37, 36.77 ppm): 4 chemical-shift based assignments, quality = 0.524, support = 2.42, residual support = 5.46: HN MET 97 - HB3 LYS+ 20 25.000% * 40.9065% (0.71 2.58 8.82) = 40.906% kept HN PHE 21 - HB3 LYS+ 20 25.000% * 20.4451% (0.32 2.85 4.90) = 20.445% kept HN THR 96 - HB3 LYS+ 20 25.000% * 19.9207% (0.41 2.20 3.17) = 19.921% kept HN ARG+ 22 - HB3 LYS+ 20 25.000% * 18.7278% (0.46 1.81 1.14) = 18.728% kept Peak 1827 (8.36, 2.23, 36.64 ppm): 30 chemical-shift based assignments, quality = 0.702, support = 1.49, residual support = 4.25: HN LYS+ 108 - HG3 GLU- 107 3.333% * 30.0281% (0.78 2.18 4.22) = 30.028% kept HN GLU- 109 - HG3 GLU- 109 3.333% * 21.6061% (0.74 1.65 11.63) = 21.606% kept HN LYS+ 108 - HG3 GLU- 109 3.333% * 20.4995% (0.75 1.54 2.25) = 20.499% kept HN ALA 103 - HG3 GLU- 18 3.333% * 8.9295% (0.44 1.15 0.02) = 8.930% kept HN ALA 103 - HG3 GLU- 75 3.333% * 8.8024% (0.95 0.53 0.02) = 8.802% kept HN ALA 103 - HG3 GLU- 109 3.333% * 2.4056% (0.77 0.18 0.02) = 2.406% kept HN GLY 71 - HG3 GLU- 18 3.333% * 1.8906% (0.32 0.33 0.02) = 1.891% kept HN ALA 103 - HG3 GLU- 54 3.333% * 1.6089% (0.45 0.20 0.02) = 1.609% kept HN LYS+ 108 - HG3 GLU- 75 3.333% * 0.3301% (0.93 0.02 0.02) = 0.330% HN GLU- 109 - HG3 GLU- 75 3.333% * 0.3235% (0.91 0.02 0.02) = 0.324% HN ALA 103 - HG3 GLU- 107 3.333% * 0.2804% (0.79 0.02 0.02) = 0.280% HN GLU- 109 - HG3 GLU- 107 3.333% * 0.2706% (0.76 0.02 0.02) = 0.271% HN ALA 103 - HG2 GLU- 56 3.333% * 0.2616% (0.74 0.02 0.02) = 0.262% HN LYS+ 108 - HG2 GLU- 56 3.333% * 0.2575% (0.73 0.02 0.02) = 0.258% HN GLU- 109 - HG2 GLU- 56 3.333% * 0.2524% (0.71 0.02 0.02) = 0.252% HN GLY 71 - HG3 GLU- 75 3.333% * 0.2484% (0.70 0.02 0.02) = 0.248% HN GLY 71 - HG3 GLU- 107 3.333% * 0.2077% (0.59 0.02 0.02) = 0.208% HN GLY 71 - HG3 GLU- 109 3.333% * 0.2008% (0.57 0.02 0.02) = 0.201% HN GLY 71 - HG2 GLU- 56 3.333% * 0.1938% (0.55 0.02 0.02) = 0.194% HN LYS+ 108 - HG3 GLU- 54 3.333% * 0.1576% (0.44 0.02 0.02) = 0.158% HN GLU- 109 - HG3 GLU- 54 3.333% * 0.1545% (0.44 0.02 0.02) = 0.154% HN GLU- 50 - HG3 GLU- 75 3.333% * 0.1533% (0.43 0.02 0.02) = 0.153% HN LYS+ 108 - HG3 GLU- 18 3.333% * 0.1527% (0.43 0.02 0.02) = 0.153% HN GLU- 109 - HG3 GLU- 18 3.333% * 0.1497% (0.42 0.02 0.02) = 0.150% HN GLU- 50 - HG3 GLU- 107 3.333% * 0.1282% (0.36 0.02 0.02) = 0.128% HN GLU- 50 - HG3 GLU- 109 3.333% * 0.1240% (0.35 0.02 0.02) = 0.124% HN GLU- 50 - HG2 GLU- 56 3.333% * 0.1196% (0.34 0.02 0.02) = 0.120% HN GLY 71 - HG3 GLU- 54 3.333% * 0.1186% (0.33 0.02 0.02) = 0.119% HN GLU- 50 - HG3 GLU- 54 3.333% * 0.0732% (0.21 0.02 0.23) = 0.073% HN GLU- 50 - HG3 GLU- 18 3.333% * 0.0709% (0.20 0.02 0.14) = 0.071% Peak 1828 (8.34, 2.34, 36.71 ppm): 8 chemical-shift based assignments, quality = 0.561, support = 3.65, residual support = 23.5: HN GLU- 50 - HG3 GLU- 50 12.500% * 83.1372% (0.59 4.31 28.28) = 83.137% kept HN GLU- 109 - HG3 GLU- 50 12.500% * 6.2566% (0.52 0.37 0.02) = 6.257% kept HN LYS+ 108 - HG3 GLU- 50 12.500% * 6.0749% (0.30 0.61 0.02) = 6.075% kept HN ALA 103 - HG3 GLU- 50 12.500% * 3.9950% (0.48 0.26 0.02) = 3.995% kept HN GLY 114 - HG3 GLU- 50 12.500% * 0.2147% (0.33 0.02 0.02) = 0.215% HN ASN 76 - HG3 GLU- 50 12.500% * 0.1678% (0.26 0.02 0.02) = 0.168% HN GLY 71 - HG3 GLU- 50 12.500% * 0.0909% (0.14 0.02 0.02) = 0.091% HN VAL 99 - HG3 GLU- 50 12.500% * 0.0630% (0.10 0.02 0.02) = 0.063% Peak 1829 (4.74, 1.37, 36.77 ppm): 4 chemical-shift based assignments, quality = 0.396, support = 3.6, residual support = 6.58: HA PRO 31 - HB3 LYS+ 20 25.000% * 56.5454% (0.48 3.84 10.54) = 56.545% kept HA2 GLY 30 - HB3 LYS+ 20 25.000% * 33.2100% (0.26 4.13 1.87) = 33.210% kept HA VAL 40 - HB3 LYS+ 20 25.000% * 7.2694% (0.37 0.64 0.02) = 7.269% kept HA MET 118 - HB3 LYS+ 20 25.000% * 2.9753% (0.42 0.23 0.02) = 2.975% kept 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): 8 chemical-shift based assignments, quality = 0.54, support = 2.88, residual support = 28.1: O HA GLU- 50 - HG3 GLU- 50 12.500% * 99.4850% (0.54 10.0 2.89 28.28) = 99.485% kept HA ILE 101 - HG3 GLU- 50 12.500% * 0.0984% (0.54 1.0 0.02 0.02) = 0.098% HA ILE 100 - HG3 GLU- 50 12.500% * 0.0969% (0.53 1.0 0.02 0.02) = 0.097% HA VAL 99 - HG3 GLU- 50 12.500% * 0.0927% (0.51 1.0 0.02 0.02) = 0.093% HA PRO 86 - HG3 GLU- 50 12.500% * 0.0927% (0.51 1.0 0.02 0.37) = 0.093% HA LYS+ 32 - HG3 GLU- 50 12.500% * 0.0871% (0.47 1.0 0.02 0.02) = 0.087% HB THR 24 - HG3 GLU- 50 12.500% * 0.0250% (0.14 1.0 0.02 0.41) = 0.025% HA LYS+ 111 - HG3 GLU- 50 12.500% * 0.0223% (0.12 1.0 0.02 0.02) = 0.022% Peak 1833 (4.27, 2.34, 36.56 ppm): 13 chemical-shift based assignments, quality = 0.201, support = 0.166, residual support = 0.0441: HA PRO 52 - HG3 GLU- 50 7.692% * 43.2621% (0.25 0.21 0.02) = 43.262% kept HA PRO 59 - HG3 GLU- 50 7.692% * 21.2253% (0.08 0.32 0.12) = 21.225% kept HA ARG+ 84 - HG3 GLU- 50 7.692% * 4.2866% (0.26 0.02 0.02) = 4.287% kept HA VAL 65 - HG3 GLU- 50 7.692% * 4.2393% (0.26 0.02 0.02) = 4.239% kept HA SER 85 - HG3 GLU- 50 7.692% * 4.0912% (0.25 0.02 0.02) = 4.091% kept HD3 PRO 59 - HG3 GLU- 50 7.692% * 4.0912% (0.25 0.02 0.12) = 4.091% kept HA ALA 91 - HG3 GLU- 50 7.692% * 3.9924% (0.24 0.02 0.02) = 3.992% kept HA GLU- 75 - HG3 GLU- 50 7.692% * 3.9924% (0.24 0.02 0.02) = 3.992% kept HA GLU- 56 - HG3 GLU- 50 7.692% * 3.1405% (0.19 0.02 0.02) = 3.141% kept HA2 GLY 114 - HG3 GLU- 50 7.692% * 2.6232% (0.16 0.02 0.02) = 2.623% kept HA THR 106 - HG3 GLU- 50 7.692% * 2.1052% (0.13 0.02 0.02) = 2.105% kept HA LYS+ 108 - HG3 GLU- 50 7.692% * 1.4753% (0.09 0.02 0.02) = 1.475% kept HA LEU 90 - HG3 GLU- 50 7.692% * 1.4753% (0.09 0.02 0.02) = 1.475% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1835 (2.45, 2.46, 36.81 ppm): 2 diagonal assignments: HG3 GLU- 45 - HG3 GLU- 45 (0.41) kept HG2 GLU- 45 - HG2 GLU- 45 (0.10) kept Peak 1836 (2.34, 2.33, 36.60 ppm): 1 diagonal assignment: HG3 GLU- 50 - HG3 GLU- 50 (0.24) kept Peak 1838 (2.13, 2.46, 36.81 ppm): 16 chemical-shift based assignments, quality = 0.196, support = 1.25, residual support = 2.09: T HA1 GLY 58 - HG3 GLU- 45 6.250% * 43.5810% (0.14 10.00 2.07 3.06) = 43.581% kept T HG3 GLU- 56 - HG3 GLU- 45 6.250% * 22.3361% (0.32 10.00 0.47 0.87) = 22.336% kept T HA1 GLY 58 - HG2 GLU- 45 6.250% * 14.8518% (0.08 10.00 1.18 3.06) = 14.852% kept T HG3 GLU- 56 - HG2 GLU- 45 6.250% * 11.9017% (0.18 10.00 0.43 0.87) = 11.902% kept HB3 GLU- 75 - HG3 GLU- 45 6.250% * 2.6488% (0.54 1.00 0.32 0.02) = 2.649% kept HB2 ASP- 28 - HG3 GLU- 45 6.250% * 1.8074% (0.58 1.00 0.21 0.02) = 1.807% kept HB3 GLU- 75 - HG2 GLU- 45 6.250% * 1.2299% (0.31 1.00 0.26 0.02) = 1.230% kept HB3 LEU 43 - HG2 GLU- 45 6.250% * 0.8132% (0.17 1.00 0.32 0.02) = 0.813% HB VAL 47 - HG3 GLU- 45 6.250% * 0.1759% (0.58 1.00 0.02 0.02) = 0.176% HG3 GLN 102 - HG3 GLU- 45 6.250% * 0.1424% (0.47 1.00 0.02 0.02) = 0.142% HB VAL 47 - HG2 GLU- 45 6.250% * 0.1015% (0.34 1.00 0.02 0.02) = 0.101% HB2 ASP- 28 - HG2 GLU- 45 6.250% * 0.1015% (0.34 1.00 0.02 0.02) = 0.101% HB3 LYS+ 78 - HG3 GLU- 45 6.250% * 0.0879% (0.29 1.00 0.02 0.02) = 0.088% HB3 LEU 43 - HG3 GLU- 45 6.250% * 0.0879% (0.29 1.00 0.02 0.02) = 0.088% HG3 GLN 102 - HG2 GLU- 45 6.250% * 0.0822% (0.27 1.00 0.02 0.02) = 0.082% HB3 LYS+ 78 - HG2 GLU- 45 6.250% * 0.0507% (0.17 1.00 0.02 0.02) = 0.051% Not enough quality. Peak unassigned. Peak 1843 (1.37, 1.37, 36.76 ppm): 1 diagonal assignment: HB3 LYS+ 20 - HB3 LYS+ 20 (0.63) kept Peak 1846 (1.05, 1.37, 36.76 ppm): 3 chemical-shift based assignments, quality = 0.515, support = 3.8, residual support = 34.5: O HG3 LYS+ 20 - HB3 LYS+ 20 33.333% * 93.1184% (0.51 10.0 3.99 37.06) = 93.118% kept HG LEU 74 - HB3 LYS+ 20 33.333% * 6.8575% (0.62 1.0 1.21 0.02) = 6.857% kept HG13 ILE 100 - HB3 LYS+ 20 33.333% * 0.0241% (0.13 1.0 0.02 0.02) = 0.024% Peak 1847 (0.96, 2.46, 36.82 ppm): 18 chemical-shift based assignments, quality = 0.331, support = 0.869, residual support = 1.05: HG LEU 74 - HG3 GLU- 45 5.556% * 15.8993% (0.46 1.02 2.69) = 15.899% kept HG LEU 74 - HG2 GLU- 45 5.556% * 12.9939% (0.26 1.48 2.69) = 12.994% kept QG2 ILE 29 - HG3 GLU- 45 5.556% * 11.4884% (0.33 1.04 0.81) = 11.488% kept QG2 VAL 99 - HG3 GLU- 45 5.556% * 10.0780% (0.54 0.55 0.02) = 10.078% kept HG12 ILE 29 - HG3 GLU- 45 5.556% * 9.4145% (0.26 1.09 0.81) = 9.414% kept HG3 LYS+ 63 - HG3 GLU- 45 5.556% * 8.3513% (0.41 0.61 0.02) = 8.351% kept QG2 VAL 62 - HG3 GLU- 45 5.556% * 5.6810% (0.28 0.60 0.34) = 5.681% kept HG3 LYS+ 63 - HG2 GLU- 45 5.556% * 5.6013% (0.23 0.73 0.02) = 5.601% kept QG2 ILE 29 - HG2 GLU- 45 5.556% * 4.8189% (0.19 0.77 0.81) = 4.819% kept HG12 ILE 68 - HG3 GLU- 45 5.556% * 3.9449% (0.33 0.36 0.02) = 3.945% kept HG12 ILE 29 - HG2 GLU- 45 5.556% * 3.6772% (0.14 0.75 0.81) = 3.677% kept QG2 VAL 62 - HG2 GLU- 45 5.556% * 3.0646% (0.16 0.58 0.34) = 3.065% kept QG2 VAL 99 - HG2 GLU- 45 5.556% * 2.7195% (0.31 0.26 0.02) = 2.719% kept HG12 ILE 68 - HG2 GLU- 45 5.556% * 2.0501% (0.19 0.33 0.02) = 2.050% kept QG1 VAL 105 - HG3 GLU- 45 5.556% * 0.0738% (0.11 0.02 0.02) = 0.074% QD1 LEU 17 - HG3 GLU- 45 5.556% * 0.0651% (0.10 0.02 0.02) = 0.065% QG1 VAL 105 - HG2 GLU- 45 5.556% * 0.0416% (0.06 0.02 0.02) = 0.042% QD1 LEU 17 - HG2 GLU- 45 5.556% * 0.0366% (0.05 0.02 0.02) = 0.037% Peak 1849 (0.69, 1.37, 36.75 ppm): 8 chemical-shift based assignments, quality = 0.6, support = 2.58, residual support = 15.9: QD1 ILE 19 - HB3 LYS+ 20 12.500% * 38.8381% (0.62 3.26 21.67) = 38.838% kept HG12 ILE 19 - HB3 LYS+ 20 12.500% * 31.9083% (0.61 2.70 21.67) = 31.908% kept QG2 VAL 94 - HB3 LYS+ 20 12.500% * 22.7979% (0.62 1.92 2.57) = 22.798% kept QG1 VAL 62 - HB3 LYS+ 20 12.500% * 2.8197% (0.37 0.39 0.15) = 2.820% kept HG2 PRO 59 - HB3 LYS+ 20 12.500% * 1.8146% (0.40 0.24 0.18) = 1.815% kept HG LEU 67 - HB3 LYS+ 20 12.500% * 1.6806% (0.42 0.21 0.02) = 1.681% kept QG2 ILE 101 - HB3 LYS+ 20 12.500% * 0.0814% (0.21 0.02 0.02) = 0.081% QG2 ILE 48 - HB3 LYS+ 20 12.500% * 0.0595% (0.15 0.02 0.02) = 0.059% Peak 1850 (8.83, 1.59, 36.42 ppm): 3 chemical-shift based assignments, quality = 0.3, support = 2.65, residual support = 37.6: O HN LYS+ 32 - HB3 LYS+ 32 33.333% * 99.7898% (0.30 10.0 2.66 37.70) = 99.790% kept HN LYS+ 60 - HB3 LYS+ 32 33.333% * 0.1269% (0.38 1.0 0.02 0.02) = 0.127% HN ASN 57 - HB3 LYS+ 32 33.333% * 0.0834% (0.25 1.0 0.02 0.02) = 0.083% Peak 1851 (8.76, 2.33, 36.49 ppm): 6 chemical-shift based assignments, quality = 0.0862, support = 0.02, residual support = 0.02: HN VAL 62 - HG3 GLU- 50 16.667% * 31.3644% (0.12 0.02 0.02) = 31.364% kept HN PHE 34 - HG3 GLU- 50 16.667% * 31.0178% (0.12 0.02 0.02) = 31.018% kept HN ILE 101 - HG3 GLU- 50 16.667% * 10.7942% (0.04 0.02 0.02) = 10.794% kept HN THR 95 - HG3 GLU- 50 16.667% * 10.7942% (0.04 0.02 0.02) = 10.794% kept HN GLU- 56 - HG3 GLU- 50 16.667% * 9.7670% (0.04 0.02 0.02) = 9.767% kept HN SER 69 - HG3 GLU- 50 16.667% * 6.2624% (0.02 0.02 0.02) = 6.262% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1852 (8.75, 2.06, 36.20 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1853 (8.44, 2.26, 36.43 ppm): 14 chemical-shift based assignments, quality = 0.167, support = 1.68, residual support = 4.85: HN LEU 74 - HG3 GLU- 75 7.143% * 52.4977% (0.20 1.97 3.20) = 52.498% kept HN GLU- 75 - HG3 GLU- 75 7.143% * 36.7475% (0.16 1.71 8.60) = 36.747% kept HN LYS+ 113 - HG3 GLU- 75 7.143% * 4.5945% (0.11 0.29 0.02) = 4.594% kept HN GLY 92 - HG3 GLU- 75 7.143% * 1.6196% (0.04 0.28 0.02) = 1.620% kept HN GLU- 107 - HG3 GLU- 75 7.143% * 0.9009% (0.08 0.08 0.02) = 0.901% HN LEU 74 - HG2 GLU- 56 7.143% * 0.5866% (0.22 0.02 0.02) = 0.587% HN ARG+ 53 - HG2 GLU- 56 7.143% * 0.4999% (0.18 0.02 0.02) = 0.500% HN GLU- 75 - HG2 GLU- 56 7.143% * 0.4750% (0.17 0.02 0.02) = 0.475% HN CYS 123 - HG2 GLU- 56 7.143% * 0.4750% (0.17 0.02 0.02) = 0.475% HN ARG+ 53 - HG3 GLU- 75 7.143% * 0.4534% (0.17 0.02 0.02) = 0.453% HN CYS 123 - HG3 GLU- 75 7.143% * 0.4309% (0.16 0.02 0.02) = 0.431% HN LYS+ 113 - HG2 GLU- 56 7.143% * 0.3441% (0.13 0.02 0.02) = 0.344% HN GLU- 107 - HG2 GLU- 56 7.143% * 0.2455% (0.09 0.02 0.02) = 0.245% HN GLY 92 - HG2 GLU- 56 7.143% * 0.1294% (0.05 0.02 0.02) = 0.129% Peak 1854 (8.20, 1.59, 36.43 ppm): 7 chemical-shift based assignments, quality = 0.351, support = 4.15, residual support = 13.8: HN ALA 33 - HB3 LYS+ 32 14.286% * 94.9683% (0.37 4.34 14.53) = 94.968% kept HN SER 49 - HB3 LYS+ 32 14.286% * 3.1530% (0.06 0.92 0.87) = 3.153% kept HN LYS+ 117 - HB3 LYS+ 32 14.286% * 0.4998% (0.42 0.02 0.02) = 0.500% HN GLU- 45 - HB3 LYS+ 32 14.286% * 0.4212% (0.35 0.02 0.02) = 0.421% HN ASN 119 - HB3 LYS+ 32 14.286% * 0.3662% (0.31 0.02 0.02) = 0.366% HN VAL 105 - HB3 LYS+ 32 14.286% * 0.3059% (0.26 0.02 0.02) = 0.306% HN VAL 94 - HB3 LYS+ 32 14.286% * 0.2855% (0.24 0.02 0.02) = 0.286% Peak 1855 (7.35, 1.59, 36.42 ppm): 5 chemical-shift based assignments, quality = 0.225, support = 3.59, residual support = 15.1: QE PHE 34 - HB3 LYS+ 32 20.000% * 41.8484% (0.24 4.58 17.88) = 41.848% kept HZ PHE 34 - HB3 LYS+ 32 20.000% * 34.7588% (0.24 3.81 17.88) = 34.759% kept QD PHE 34 - HB3 LYS+ 32 20.000% * 7.8750% (0.07 2.79 17.88) = 7.875% kept HE22 GLN 102 - HB3 LYS+ 32 20.000% * 7.7892% (0.24 0.85 0.21) = 7.789% kept HZ2 TRP 51 - HB3 LYS+ 32 20.000% * 7.7286% (0.24 0.85 0.26) = 7.729% kept Peak 1856 (4.49, 1.59, 36.43 ppm): 10 chemical-shift based assignments, quality = 0.207, support = 3.82, residual support = 31.5: O HA LYS+ 32 - HB3 LYS+ 32 10.000% * 82.9443% (0.19 10.0 4.46 37.70) = 82.944% kept HA LYS+ 55 - HB3 LYS+ 32 10.000% * 5.6716% (0.19 1.0 1.37 3.28) = 5.672% kept HA ASN 76 - HB3 LYS+ 32 10.000% * 4.4558% (0.45 1.0 0.45 0.02) = 4.456% kept HA SER 77 - HB3 LYS+ 32 10.000% * 4.1423% (0.36 1.0 0.51 0.02) = 4.142% kept HB THR 46 - HB3 LYS+ 32 10.000% * 1.4549% (0.19 1.0 0.35 0.02) = 1.455% kept HA CYS 123 - HB3 LYS+ 32 10.000% * 1.1286% (0.40 1.0 0.12 0.02) = 1.129% kept HA PRO 86 - HB3 LYS+ 32 10.000% * 0.0688% (0.15 1.0 0.02 0.02) = 0.069% HA ILE 100 - HB3 LYS+ 32 10.000% * 0.0561% (0.13 1.0 0.02 0.02) = 0.056% HA ILE 101 - HB3 LYS+ 32 10.000% * 0.0503% (0.11 1.0 0.02 0.02) = 0.050% HA GLU- 50 - HB3 LYS+ 32 10.000% * 0.0273% (0.06 1.0 0.02 0.02) = 0.027% Peak 1857 (4.24, 2.24, 36.46 ppm): 52 chemical-shift based assignments, quality = 0.132, support = 1.72, residual support = 4.85: T HA LYS+ 108 - HG3 GLU- 109 1.923% * 25.7972% (0.14 1.0 10.00 2.23 2.25) = 25.797% kept T HA LYS+ 108 - HG3 GLU- 107 1.923% * 25.1935% (0.14 1.0 10.00 1.94 4.22) = 25.194% kept O HA GLU- 75 - HG3 GLU- 75 1.923% * 18.5053% (0.12 10.0 1.00 1.73 8.60) = 18.505% kept O HA GLU- 56 - HG2 GLU- 56 1.923% * 16.3651% (0.18 10.0 1.00 1.00 5.32) = 16.365% kept O T HA GLU- 109 - HG3 GLU- 109 1.923% * 5.6422% (0.03 10.0 10.00 2.78 11.63) = 5.642% kept T HA LYS+ 44 - HG3 GLU- 75 1.923% * 1.4887% (0.08 1.0 10.00 0.21 0.02) = 1.489% kept HA GLU- 54 - HG2 GLU- 56 1.923% * 1.2753% (0.42 1.0 1.00 0.33 0.29) = 1.275% kept HA LYS+ 110 - HG3 GLU- 109 1.923% * 1.1043% (0.10 1.0 1.00 1.21 7.99) = 1.104% kept T HA LYS+ 108 - HG3 GLU- 75 1.923% * 0.7714% (0.42 1.0 10.00 0.02 0.02) = 0.771% HA LYS+ 44 - HG2 GLU- 56 1.923% * 0.7201% (0.06 1.0 1.00 1.22 0.02) = 0.720% T HA ALA 42 - HG3 GLU- 75 1.923% * 0.5843% (0.32 1.0 10.00 0.02 0.02) = 0.584% T HA ALA 42 - HG2 GLU- 56 1.923% * 0.4829% (0.26 1.0 10.00 0.02 0.02) = 0.483% T HA ALA 42 - HG3 GLU- 107 1.923% * 0.1970% (0.11 1.0 10.00 0.02 0.02) = 0.197% T HA ALA 42 - HG3 GLU- 109 1.923% * 0.1954% (0.11 1.0 10.00 0.02 0.02) = 0.195% T HA GLU- 109 - HG3 GLU- 75 1.923% * 0.1687% (0.09 1.0 10.00 0.02 0.02) = 0.169% HA GLU- 54 - HG3 GLU- 75 1.923% * 0.0944% (0.51 1.0 1.00 0.02 0.12) = 0.094% HA SER 49 - HG3 GLU- 75 1.923% * 0.0911% (0.50 1.0 1.00 0.02 0.02) = 0.091% HA GLU- 18 - HG3 GLU- 75 1.923% * 0.0889% (0.48 1.0 1.00 0.02 0.14) = 0.089% HA PRO 59 - HG3 GLU- 75 1.923% * 0.0805% (0.44 1.0 1.00 0.02 0.02) = 0.080% HA SER 49 - HG2 GLU- 56 1.923% * 0.0753% (0.41 1.0 1.00 0.02 0.31) = 0.075% HA GLU- 18 - HG2 GLU- 56 1.923% * 0.0735% (0.40 1.0 1.00 0.02 0.02) = 0.073% HA PRO 59 - HG2 GLU- 56 1.923% * 0.0665% (0.36 1.0 1.00 0.02 0.02) = 0.066% HA LYS+ 108 - HG2 GLU- 56 1.923% * 0.0637% (0.35 1.0 1.00 0.02 0.02) = 0.064% T HA GLU- 109 - HG3 GLU- 107 1.923% * 0.0569% (0.03 1.0 10.00 0.02 0.02) = 0.057% HA LYS+ 110 - HG3 GLU- 75 1.923% * 0.0545% (0.30 1.0 1.00 0.02 0.02) = 0.055% HB3 SER 49 - HG3 GLU- 75 1.923% * 0.0507% (0.28 1.0 1.00 0.02 0.02) = 0.051% HA2 GLY 114 - HG3 GLU- 75 1.923% * 0.0507% (0.28 1.0 1.00 0.02 0.02) = 0.051% T HA LYS+ 44 - HG3 GLU- 107 1.923% * 0.0482% (0.03 1.0 10.00 0.02 0.02) = 0.048% T HA LYS+ 44 - HG3 GLU- 109 1.923% * 0.0478% (0.03 1.0 10.00 0.02 0.02) = 0.048% HA LYS+ 110 - HG2 GLU- 56 1.923% * 0.0451% (0.25 1.0 1.00 0.02 0.02) = 0.045% HB3 SER 49 - HG2 GLU- 56 1.923% * 0.0419% (0.23 1.0 1.00 0.02 0.31) = 0.042% HA2 GLY 114 - HG2 GLU- 56 1.923% * 0.0419% (0.23 1.0 1.00 0.02 0.02) = 0.042% HA GLU- 56 - HG3 GLU- 75 1.923% * 0.0396% (0.22 1.0 1.00 0.02 0.02) = 0.040% HA GLU- 54 - HG3 GLU- 107 1.923% * 0.0318% (0.17 1.0 1.00 0.02 0.02) = 0.032% HA GLU- 54 - HG3 GLU- 109 1.923% * 0.0316% (0.17 1.0 1.00 0.02 0.02) = 0.032% HA SER 49 - HG3 GLU- 107 1.923% * 0.0307% (0.17 1.0 1.00 0.02 0.02) = 0.031% HA SER 49 - HG3 GLU- 109 1.923% * 0.0305% (0.17 1.0 1.00 0.02 0.02) = 0.030% HA GLU- 18 - HG3 GLU- 107 1.923% * 0.0300% (0.16 1.0 1.00 0.02 0.87) = 0.030% HA GLU- 18 - HG3 GLU- 109 1.923% * 0.0297% (0.16 1.0 1.00 0.02 0.02) = 0.030% HA PRO 59 - HG3 GLU- 107 1.923% * 0.0271% (0.15 1.0 1.00 0.02 0.02) = 0.027% HA PRO 59 - HG3 GLU- 109 1.923% * 0.0269% (0.15 1.0 1.00 0.02 0.02) = 0.027% HA LYS+ 110 - HG3 GLU- 107 1.923% * 0.0184% (0.10 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 75 - HG2 GLU- 56 1.923% * 0.0177% (0.10 1.0 1.00 0.02 0.02) = 0.018% HB3 SER 49 - HG3 GLU- 107 1.923% * 0.0171% (0.09 1.0 1.00 0.02 0.02) = 0.017% HA2 GLY 114 - HG3 GLU- 107 1.923% * 0.0171% (0.09 1.0 1.00 0.02 0.02) = 0.017% HB3 SER 49 - HG3 GLU- 109 1.923% * 0.0169% (0.09 1.0 1.00 0.02 0.02) = 0.017% HA2 GLY 114 - HG3 GLU- 109 1.923% * 0.0169% (0.09 1.0 1.00 0.02 0.02) = 0.017% HA GLU- 109 - HG2 GLU- 56 1.923% * 0.0139% (0.08 1.0 1.00 0.02 0.02) = 0.014% HA GLU- 56 - HG3 GLU- 107 1.923% * 0.0134% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 56 - HG3 GLU- 109 1.923% * 0.0132% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 75 - HG3 GLU- 107 1.923% * 0.0072% (0.04 1.0 1.00 0.02 0.02) = 0.007% HA GLU- 75 - HG3 GLU- 109 1.923% * 0.0072% (0.04 1.0 1.00 0.02 0.02) = 0.007% Peak 1874 (2.24, 2.24, 36.44 ppm): 4 diagonal assignments: HG3 GLU- 75 - HG3 GLU- 75 (0.44) kept HG2 GLU- 56 - HG2 GLU- 56 (0.39) kept HG3 GLU- 107 - HG3 GLU- 107 (0.06) kept HG3 GLU- 109 - HG3 GLU- 109 (0.04) kept Peak 1879 (2.01, 2.25, 36.44 ppm): 56 chemical-shift based assignments, quality = 0.125, support = 1.61, residual support = 7.36: O HB3 GLU- 75 - HG3 GLU- 75 1.786% * 60.4388% (0.16 10.0 1.00 1.73 8.60) = 60.439% kept O T HB3 GLU- 107 - HG3 GLU- 107 1.786% * 23.2499% (0.05 10.0 10.00 2.08 8.82) = 23.250% kept HB3 GLU- 45 - HG2 GLU- 56 1.786% * 3.7395% (0.20 1.0 1.00 0.83 0.87) = 3.739% kept HB2 LYS+ 44 - HG2 GLU- 56 1.786% * 2.8716% (0.29 1.0 1.00 0.44 0.02) = 2.872% kept HB2 LYS+ 108 - HG3 GLU- 107 1.786% * 1.6944% (0.03 1.0 1.00 2.19 4.22) = 1.694% kept HB3 GLU- 45 - HG3 GLU- 75 1.786% * 1.0625% (0.24 1.0 1.00 0.20 0.02) = 1.063% kept HB2 LYS+ 108 - HG3 GLU- 109 1.786% * 0.9915% (0.03 1.0 1.00 1.30 2.25) = 0.991% T HB3 GLU- 107 - HG3 GLU- 75 1.786% * 0.7642% (0.17 1.0 10.00 0.02 0.02) = 0.764% T HB3 GLU- 107 - HG2 GLU- 56 1.786% * 0.6413% (0.14 1.0 10.00 0.02 0.02) = 0.641% T HB3 GLU- 107 - HG3 GLU- 109 1.786% * 0.2300% (0.05 1.0 10.00 0.02 0.02) = 0.230% HB2 GLU- 18 - HG3 GLU- 75 1.786% * 0.2032% (0.45 1.0 1.00 0.02 0.14) = 0.203% HG2 GLU- 64 - HG3 GLU- 75 1.786% * 0.2032% (0.45 1.0 1.00 0.02 0.02) = 0.203% HB VAL 105 - HG3 GLU- 75 1.786% * 0.1996% (0.44 1.0 1.00 0.02 0.02) = 0.200% HG2 PRO 116 - HG3 GLU- 75 1.786% * 0.1926% (0.43 1.0 1.00 0.02 0.02) = 0.193% HG2 PRO 86 - HG3 GLU- 75 1.786% * 0.1880% (0.42 1.0 1.00 0.02 0.02) = 0.188% HB3 PRO 112 - HG3 GLU- 75 1.786% * 0.1880% (0.42 1.0 1.00 0.02 0.02) = 0.188% HB2 PRO 112 - HG3 GLU- 75 1.786% * 0.1766% (0.39 1.0 1.00 0.02 0.02) = 0.177% HB2 GLU- 18 - HG2 GLU- 56 1.786% * 0.1705% (0.38 1.0 1.00 0.02 0.02) = 0.171% HG2 GLU- 64 - HG2 GLU- 56 1.786% * 0.1705% (0.38 1.0 1.00 0.02 0.68) = 0.171% HB VAL 105 - HG2 GLU- 56 1.786% * 0.1675% (0.37 1.0 1.00 0.02 0.02) = 0.167% HG2 PRO 116 - HG2 GLU- 56 1.786% * 0.1616% (0.36 1.0 1.00 0.02 0.02) = 0.162% HG2 PRO 86 - HG2 GLU- 56 1.786% * 0.1577% (0.35 1.0 1.00 0.02 0.02) = 0.158% HB3 PRO 112 - HG2 GLU- 56 1.786% * 0.1577% (0.35 1.0 1.00 0.02 0.02) = 0.158% HB3 PRO 31 - HG3 GLU- 75 1.786% * 0.1556% (0.35 1.0 1.00 0.02 0.02) = 0.156% HB2 LYS+ 44 - HG3 GLU- 75 1.786% * 0.1556% (0.35 1.0 1.00 0.02 0.02) = 0.156% HB2 PRO 112 - HG2 GLU- 56 1.786% * 0.1482% (0.33 1.0 1.00 0.02 0.02) = 0.148% HB3 PRO 31 - HG2 GLU- 56 1.786% * 0.1306% (0.29 1.0 1.00 0.02 0.02) = 0.131% HB2 GLU- 18 - HG3 GLU- 107 1.786% * 0.0618% (0.14 1.0 1.00 0.02 0.87) = 0.062% HG2 GLU- 64 - HG3 GLU- 107 1.786% * 0.0618% (0.14 1.0 1.00 0.02 0.02) = 0.062% HB2 GLU- 18 - HG3 GLU- 109 1.786% * 0.0612% (0.14 1.0 1.00 0.02 0.02) = 0.061% HG2 GLU- 64 - HG3 GLU- 109 1.786% * 0.0612% (0.14 1.0 1.00 0.02 0.02) = 0.061% HB VAL 105 - HG3 GLU- 107 1.786% * 0.0607% (0.13 1.0 1.00 0.02 0.02) = 0.061% HB VAL 105 - HG3 GLU- 109 1.786% * 0.0601% (0.13 1.0 1.00 0.02 0.02) = 0.060% HB3 GLU- 75 - HG2 GLU- 56 1.786% * 0.0588% (0.13 1.0 1.00 0.02 0.02) = 0.059% HG2 PRO 116 - HG3 GLU- 107 1.786% * 0.0586% (0.13 1.0 1.00 0.02 0.02) = 0.059% HG2 PRO 116 - HG3 GLU- 109 1.786% * 0.0580% (0.13 1.0 1.00 0.02 0.02) = 0.058% HG2 PRO 86 - HG3 GLU- 107 1.786% * 0.0572% (0.13 1.0 1.00 0.02 0.02) = 0.057% HB3 PRO 112 - HG3 GLU- 107 1.786% * 0.0572% (0.13 1.0 1.00 0.02 0.02) = 0.057% HG2 PRO 86 - HG3 GLU- 109 1.786% * 0.0566% (0.13 1.0 1.00 0.02 0.02) = 0.057% HB3 PRO 112 - HG3 GLU- 109 1.786% * 0.0566% (0.13 1.0 1.00 0.02 0.02) = 0.057% HB2 PRO 112 - HG3 GLU- 107 1.786% * 0.0537% (0.12 1.0 1.00 0.02 0.02) = 0.054% HB2 PRO 112 - HG3 GLU- 109 1.786% * 0.0532% (0.12 1.0 1.00 0.02 0.02) = 0.053% HB2 LYS+ 108 - HG3 GLU- 75 1.786% * 0.0508% (0.11 1.0 1.00 0.02 0.02) = 0.051% HB3 LYS+ 110 - HG3 GLU- 75 1.786% * 0.0508% (0.11 1.0 1.00 0.02 0.02) = 0.051% HB2 LYS+ 44 - HG3 GLU- 107 1.786% * 0.0473% (0.11 1.0 1.00 0.02 0.02) = 0.047% HB3 PRO 31 - HG3 GLU- 107 1.786% * 0.0473% (0.11 1.0 1.00 0.02 0.02) = 0.047% HB3 PRO 31 - HG3 GLU- 109 1.786% * 0.0468% (0.10 1.0 1.00 0.02 0.02) = 0.047% HB2 LYS+ 44 - HG3 GLU- 109 1.786% * 0.0468% (0.10 1.0 1.00 0.02 0.02) = 0.047% HB2 LYS+ 108 - HG2 GLU- 56 1.786% * 0.0426% (0.09 1.0 1.00 0.02 0.02) = 0.043% HB3 LYS+ 110 - HG2 GLU- 56 1.786% * 0.0426% (0.09 1.0 1.00 0.02 0.02) = 0.043% HB3 GLU- 45 - HG3 GLU- 107 1.786% * 0.0326% (0.07 1.0 1.00 0.02 0.02) = 0.033% HB3 GLU- 45 - HG3 GLU- 109 1.786% * 0.0322% (0.07 1.0 1.00 0.02 0.02) = 0.032% HB3 GLU- 75 - HG3 GLU- 107 1.786% * 0.0213% (0.05 1.0 1.00 0.02 0.02) = 0.021% HB3 GLU- 75 - HG3 GLU- 109 1.786% * 0.0211% (0.05 1.0 1.00 0.02 0.02) = 0.021% HB3 LYS+ 110 - HG3 GLU- 107 1.786% * 0.0154% (0.03 1.0 1.00 0.02 0.02) = 0.015% HB3 LYS+ 110 - HG3 GLU- 109 1.786% * 0.0153% (0.03 1.0 1.00 0.02 7.99) = 0.015% Peak 1882 (1.59, 1.59, 36.44 ppm): 1 diagonal assignment: HB3 LYS+ 32 - HB3 LYS+ 32 (0.46) kept Peak 1891 (0.56, 2.08, 36.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1893 (4.97, 2.05, 35.94 ppm): 1 chemical-shift based assignment, quality = 0.0772, support = 1.98, residual support = 4.46: HA ILE 68 - HB3 PRO 31 100.000% *100.0000% (0.08 1.98 4.46) = 100.000% kept Peak 1894 (2.07, 2.06, 36.16 ppm): 13 chemical-shift based assignments, quality = 0.035, support = 0.167, residual support = 0.452: HB2 LEU 43 - HB3 PRO 31 7.692% * 46.0173% (0.03 0.29 0.96) = 46.017% kept HA1 GLY 58 - HB3 PRO 31 7.692% * 12.6659% (0.01 0.21 0.02) = 12.666% kept HG3 ARG+ 53 - HB3 PRO 31 7.692% * 7.6465% (0.07 0.02 0.02) = 7.647% kept HB3 LYS+ 120 - HB3 PRO 31 7.692% * 7.2012% (0.07 0.02 0.02) = 7.201% kept HB3 GLU- 75 - HB3 PRO 31 7.692% * 7.0974% (0.07 0.02 0.02) = 7.097% kept HD3 LYS+ 110 - HB3 PRO 31 7.692% * 4.4166% (0.04 0.02 0.02) = 4.417% kept HB2 LYS+ 110 - HB3 PRO 31 7.692% * 3.7972% (0.03 0.02 0.02) = 3.797% kept HB VAL 125 - HB3 PRO 31 7.692% * 2.9278% (0.03 0.02 0.02) = 2.928% kept HB2 GLU- 45 - HB3 PRO 31 7.692% * 2.9278% (0.03 0.02 0.02) = 2.928% kept HB VAL 62 - HB3 PRO 31 7.692% * 1.3662% (0.01 0.02 0.02) = 1.366% kept HG3 PRO 86 - HB3 PRO 31 7.692% * 1.3662% (0.01 0.02 0.02) = 1.366% kept HB VAL 87 - HB3 PRO 31 7.692% * 1.3662% (0.01 0.02 0.02) = 1.366% kept HB VAL 65 - HB3 PRO 31 7.692% * 1.2037% (0.01 0.02 0.02) = 1.204% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1895 (1.63, 2.06, 36.09 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1896 (1.28, 2.07, 36.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1897 (0.72, 2.07, 36.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 6 chemical-shift based assignments, quality = 0.777, support = 1.09, residual support = 1.37: HN LYS+ 60 - HB2 LYS+ 66 16.667% * 87.5746% (0.85 1.21 1.57) = 87.575% kept HN LYS+ 60 - HB3 LYS+ 72 16.667% * 6.1853% (0.24 0.30 0.02) = 6.185% kept HN LYS+ 32 - HB3 LYS+ 72 16.667% * 2.8336% (0.19 0.18 0.02) = 2.834% kept HN ASN 57 - HB3 LYS+ 72 16.667% * 1.3913% (0.15 0.11 0.02) = 1.391% kept HN LYS+ 32 - HB2 LYS+ 66 16.667% * 1.1047% (0.65 0.02 0.02) = 1.105% kept HN ASN 57 - HB2 LYS+ 66 16.667% * 0.9105% (0.54 0.02 0.02) = 0.910% Peak 1912 (4.43, 1.66, 34.55 ppm): 9 chemical-shift based assignments, quality = 0.608, support = 0.524, residual support = 0.424: HA VAL 99 - HB3 MET 97 11.111% * 30.1172% (0.36 0.99 1.30) = 30.117% kept HB THR 24 - HB3 MET 97 11.111% * 22.7841% (0.88 0.31 0.02) = 22.784% kept HA LYS+ 111 - HB3 MET 97 11.111% * 19.1515% (0.89 0.26 0.02) = 19.152% kept HA LYS+ 66 - HB3 MET 97 11.111% * 18.1104% (0.61 0.36 0.12) = 18.110% kept HA ILE 100 - HB3 MET 97 11.111% * 6.4456% (0.12 0.64 0.02) = 6.446% kept HA ILE 101 - HB3 MET 97 11.111% * 1.2900% (0.14 0.11 0.02) = 1.290% kept HA CYS 121 - HB3 MET 97 11.111% * 1.0781% (0.64 0.02 0.02) = 1.078% kept HA THR 24 - HB3 MET 97 11.111% * 0.6104% (0.36 0.02 0.02) = 0.610% HA GLU- 50 - HB3 MET 97 11.111% * 0.4128% (0.25 0.02 0.02) = 0.413% Peak 1913 (4.37, 1.85, 34.50 ppm): 24 chemical-shift based assignments, quality = 0.746, support = 1.05, residual support = 1.35: T HA LYS+ 60 - HB2 LYS+ 66 4.167% * 83.3082% (0.87 10.00 1.15 1.57) = 83.308% kept T HA LYS+ 60 - HB3 LYS+ 72 4.167% * 5.0323% (0.21 10.00 0.29 0.02) = 5.032% kept T HA THR 95 - HB2 LYS+ 66 4.167% * 4.0062% (0.15 10.00 0.32 0.27) = 4.006% kept T HA THR 95 - HB3 LYS+ 72 4.167% * 2.8065% (0.04 10.00 0.93 0.57) = 2.806% kept HB THR 61 - HB2 LYS+ 66 4.167% * 2.3093% (0.19 1.00 1.45 0.67) = 2.309% kept HA VAL 94 - HB3 LYS+ 72 4.167% * 0.7126% (0.04 1.00 2.37 6.19) = 0.713% HA VAL 94 - HB2 LYS+ 66 4.167% * 0.6219% (0.15 1.00 0.50 0.02) = 0.622% HA2 GLY 26 - HB2 LYS+ 66 4.167% * 0.1557% (0.94 1.00 0.02 0.02) = 0.156% HA THR 38 - HB2 LYS+ 66 4.167% * 0.1557% (0.94 1.00 0.02 0.02) = 0.156% HA LYS+ 117 - HB2 LYS+ 66 4.167% * 0.1447% (0.87 1.00 0.02 0.02) = 0.145% HA ALA 37 - HB2 LYS+ 66 4.167% * 0.1348% (0.81 1.00 0.02 0.02) = 0.135% HA ASN 57 - HB2 LYS+ 66 4.167% * 0.1292% (0.78 1.00 0.02 0.02) = 0.129% HA1 GLY 26 - HB2 LYS+ 66 4.167% * 0.1108% (0.67 1.00 0.02 0.02) = 0.111% HA TRP 51 - HB2 LYS+ 66 4.167% * 0.0913% (0.55 1.00 0.02 0.02) = 0.091% HA SER 88 - HB2 LYS+ 66 4.167% * 0.0402% (0.24 1.00 0.02 0.02) = 0.040% HA2 GLY 26 - HB3 LYS+ 72 4.167% * 0.0377% (0.23 1.00 0.02 0.02) = 0.038% HA THR 38 - HB3 LYS+ 72 4.167% * 0.0377% (0.23 1.00 0.02 0.02) = 0.038% HA LYS+ 117 - HB3 LYS+ 72 4.167% * 0.0350% (0.21 1.00 0.02 0.02) = 0.035% HA ALA 37 - HB3 LYS+ 72 4.167% * 0.0326% (0.20 1.00 0.02 0.02) = 0.033% HA ASN 57 - HB3 LYS+ 72 4.167% * 0.0312% (0.19 1.00 0.02 0.02) = 0.031% HA1 GLY 26 - HB3 LYS+ 72 4.167% * 0.0268% (0.16 1.00 0.02 0.02) = 0.027% HA TRP 51 - HB3 LYS+ 72 4.167% * 0.0221% (0.13 1.00 0.02 0.02) = 0.022% HA SER 88 - HB3 LYS+ 72 4.167% * 0.0097% (0.06 1.00 0.02 0.02) = 0.010% HB THR 61 - HB3 LYS+ 72 4.167% * 0.0077% (0.05 1.00 0.02 0.02) = 0.008% Peak 1914 (2.24, 1.67, 34.43 ppm): 11 chemical-shift based assignments, quality = 0.454, support = 0.433, residual support = 0.246: HB VAL 80 - HB3 MET 97 9.091% * 55.5092% (0.41 0.67 0.36) = 55.509% kept HG3 GLU- 75 - HB3 MET 97 9.091% * 24.8373% (0.62 0.20 0.02) = 24.837% kept HG3 GLU- 18 - HB3 MET 97 9.091% * 8.3624% (0.34 0.12 0.46) = 8.362% kept HG2 GLU- 56 - HB3 MET 97 9.091% * 2.4770% (0.62 0.02 0.02) = 2.477% kept HB3 PRO 52 - HB3 MET 97 9.091% * 2.0552% (0.51 0.02 0.02) = 2.055% kept HG3 MET 118 - HB3 MET 97 9.091% * 1.7630% (0.44 0.02 0.02) = 1.763% kept HG3 GLU- 107 - HB3 MET 97 9.091% * 1.2493% (0.31 0.02 0.02) = 1.249% kept HB2 GLU- 50 - HB3 MET 97 9.091% * 1.1507% (0.29 0.02 0.02) = 1.151% kept HA1 GLY 58 - HB3 MET 97 9.091% * 1.0068% (0.25 0.02 0.02) = 1.007% kept HG3 GLU- 109 - HB3 MET 97 9.091% * 0.8755% (0.22 0.02 0.02) = 0.875% HG3 MET 126 - HB3 MET 97 9.091% * 0.7136% (0.18 0.02 0.02) = 0.714% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 1915 (2.14, 2.36, 34.32 ppm): 9 chemical-shift based assignments, quality = 0.27, support = 2.68, residual support = 25.1: O HB3 LYS+ 78 - HB2 LYS+ 78 11.111% * 85.3020% (0.26 10.0 1.00 3.10 29.38) = 85.302% kept T HB2 ASP- 28 - HB2 LYS+ 78 11.111% * 14.2985% (0.34 1.0 10.00 0.26 0.02) = 14.298% kept HB VAL 47 - HB2 LYS+ 78 11.111% * 0.1114% (0.34 1.0 1.00 0.02 0.02) = 0.111% HG3 GLN 102 - HB2 LYS+ 78 11.111% * 0.1077% (0.33 1.0 1.00 0.02 0.02) = 0.108% HB3 GLU- 75 - HB2 LYS+ 78 11.111% * 0.0855% (0.26 1.0 1.00 0.02 0.02) = 0.085% HA1 GLY 58 - HB2 LYS+ 78 11.111% * 0.0260% (0.08 1.0 1.00 0.02 0.02) = 0.026% HG3 GLU- 56 - HB2 LYS+ 78 11.111% * 0.0249% (0.08 1.0 1.00 0.02 0.02) = 0.025% HG2 PRO 104 - HB2 LYS+ 78 11.111% * 0.0221% (0.07 1.0 1.00 0.02 0.02) = 0.022% HB3 LEU 43 - HB2 LYS+ 78 11.111% * 0.0221% (0.07 1.0 1.00 0.02 0.02) = 0.022% Peak 1916 (1.68, 1.85, 34.48 ppm): 6 chemical-shift based assignments, quality = 0.483, support = 0.359, residual support = 0.0942: HB3 MET 126 - HB2 LYS+ 66 16.667% * 81.6345% (0.49 0.42 0.11) = 81.634% kept HG3 ARG+ 84 - HB2 LYS+ 66 16.667% * 7.5883% (0.15 0.13 0.02) = 7.588% kept HD3 LYS+ 55 - HB2 LYS+ 66 16.667% * 6.7269% (0.87 0.02 0.02) = 6.727% kept HD3 LYS+ 55 - HB3 LYS+ 72 16.667% * 2.3173% (0.30 0.02 0.02) = 2.317% kept HB3 MET 126 - HB3 LYS+ 72 16.667% * 1.3236% (0.17 0.02 0.02) = 1.324% kept HG3 ARG+ 84 - HB3 LYS+ 72 16.667% * 0.4094% (0.05 0.02 0.02) = 0.409% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 1917 (1.67, 1.66, 34.47 ppm): 1 diagonal assignment: HB3 MET 97 - HB3 MET 97 (0.36) kept Peak 1918 (1.51, 1.86, 34.37 ppm): 14 chemical-shift based assignments, quality = 0.526, support = 3.5, residual support = 32.5: O HG3 LYS+ 72 - HB3 LYS+ 72 7.143% * 47.1146% (0.56 10.0 1.00 3.12 34.75) = 47.115% kept O HB2 LYS+ 72 - HB3 LYS+ 72 7.143% * 46.1816% (0.55 10.0 1.00 4.26 34.75) = 46.182% kept T HG LEU 74 - HB2 LYS+ 66 7.143% * 5.1937% (0.11 1.0 10.00 1.15 1.23) = 5.194% kept T HG LEU 74 - HB3 LYS+ 72 7.143% * 1.2013% (0.11 1.0 10.00 0.26 0.11) = 1.201% kept HG3 LYS+ 72 - HB2 LYS+ 66 7.143% * 0.0464% (0.55 1.0 1.00 0.02 0.02) = 0.046% HB2 LYS+ 72 - HB2 LYS+ 66 7.143% * 0.0454% (0.54 1.0 1.00 0.02 0.02) = 0.045% HD3 LYS+ 108 - HB3 LYS+ 72 7.143% * 0.0435% (0.52 1.0 1.00 0.02 0.02) = 0.043% HD3 LYS+ 108 - HB2 LYS+ 66 7.143% * 0.0428% (0.51 1.0 1.00 0.02 0.02) = 0.043% HG LEU 43 - HB3 LYS+ 72 7.143% * 0.0409% (0.49 1.0 1.00 0.02 0.02) = 0.041% HG LEU 43 - HB2 LYS+ 66 7.143% * 0.0402% (0.48 1.0 1.00 0.02 0.02) = 0.040% QG2 VAL 80 - HB3 LYS+ 72 7.143% * 0.0145% (0.17 1.0 1.00 0.02 0.02) = 0.015% QG2 VAL 80 - HB2 LYS+ 66 7.143% * 0.0143% (0.17 1.0 1.00 0.02 0.02) = 0.014% QB ALA 70 - HB3 LYS+ 72 7.143% * 0.0105% (0.13 1.0 1.00 0.02 1.45) = 0.010% QB ALA 70 - HB2 LYS+ 66 7.143% * 0.0103% (0.12 1.0 1.00 0.02 0.02) = 0.010% Peak 1919 (1.11, 1.85, 34.53 ppm): 16 chemical-shift based assignments, quality = 0.746, support = 0.91, residual support = 0.766: HG LEU 74 - HB2 LYS+ 66 6.250% * 42.3526% (0.89 1.15 1.23) = 42.353% kept QG2 THR 61 - HB2 LYS+ 66 6.250% * 31.7434% (0.87 0.89 0.67) = 31.743% kept QG2 THR 96 - HB2 LYS+ 66 6.250% * 10.2241% (0.72 0.35 0.02) = 10.224% kept QG2 THR 95 - HB2 LYS+ 66 6.250% * 6.3008% (0.14 1.11 0.27) = 6.301% kept HG LEU 74 - HB3 LYS+ 72 6.250% * 2.0667% (0.19 0.26 0.11) = 2.067% kept QG2 THR 61 - HB3 LYS+ 72 6.250% * 2.0141% (0.19 0.26 0.02) = 2.014% kept QG2 THR 96 - HB3 LYS+ 72 6.250% * 1.6814% (0.15 0.27 0.02) = 1.681% kept QG2 THR 95 - HB3 LYS+ 72 6.250% * 1.4918% (0.03 1.22 0.57) = 1.492% kept HG3 LYS+ 32 - HB2 LYS+ 66 6.250% * 0.8884% (0.28 0.08 0.02) = 0.888% QG2 THR 79 - HB2 LYS+ 66 6.250% * 0.4473% (0.54 0.02 0.02) = 0.447% HD3 LYS+ 111 - HB2 LYS+ 66 6.250% * 0.3032% (0.37 0.02 0.02) = 0.303% QB ALA 33 - HB2 LYS+ 66 6.250% * 0.2276% (0.28 0.02 0.02) = 0.228% QG2 THR 79 - HB3 LYS+ 72 6.250% * 0.0959% (0.12 0.02 0.02) = 0.096% HD3 LYS+ 111 - HB3 LYS+ 72 6.250% * 0.0650% (0.08 0.02 0.02) = 0.065% QB ALA 33 - HB3 LYS+ 72 6.250% * 0.0488% (0.06 0.02 0.02) = 0.049% HG3 LYS+ 32 - HB3 LYS+ 72 6.250% * 0.0488% (0.06 0.02 0.02) = 0.049% Peak 1920 (1.10, 1.67, 34.54 ppm): 6 chemical-shift based assignments, quality = 0.569, support = 0.813, residual support = 0.722: HG LEU 74 - HB3 MET 97 16.667% * 41.2988% (0.69 1.07 0.91) = 41.299% kept QG2 THR 79 - HB3 MET 97 16.667% * 20.7296% (0.64 0.58 0.02) = 20.730% kept QG2 THR 96 - HB3 MET 97 16.667% * 15.4395% (0.31 0.89 2.01) = 15.439% kept QG2 THR 95 - HB3 MET 97 16.667% * 11.3727% (0.29 0.71 0.28) = 11.373% kept QG2 THR 61 - HB3 MET 97 16.667% * 10.6716% (0.66 0.29 0.02) = 10.672% kept HD3 LYS+ 111 - HB3 MET 97 16.667% * 0.4878% (0.11 0.08 0.02) = 0.488% Peak 1921 (0.90, 1.66, 34.53 ppm): 13 chemical-shift based assignments, quality = 0.612, support = 0.671, residual support = 0.369: HG LEU 74 - HB3 MET 97 7.692% * 29.4415% (0.46 1.07 0.91) = 29.441% kept QD1 LEU 67 - HB3 MET 97 7.692% * 28.8662% (0.79 0.61 0.02) = 28.866% kept QG1 VAL 80 - HB3 MET 97 7.692% * 26.0869% (0.68 0.63 0.36) = 26.087% kept HG13 ILE 68 - HB3 MET 97 7.692% * 3.9643% (0.76 0.09 0.02) = 3.964% kept QG2 VAL 73 - HB3 MET 97 7.692% * 3.7079% (0.31 0.20 0.02) = 3.708% kept QG2 VAL 105 - HB3 MET 97 7.692% * 3.6889% (0.82 0.08 0.02) = 3.689% kept QG1 VAL 47 - HB3 MET 97 7.692% * 0.9765% (0.81 0.02 0.02) = 0.977% QG2 VAL 87 - HB3 MET 97 7.692% * 0.9320% (0.77 0.02 0.02) = 0.932% QG1 VAL 122 - HB3 MET 97 7.692% * 0.6768% (0.56 0.02 0.02) = 0.677% QG2 VAL 47 - HB3 MET 97 7.692% * 0.5184% (0.43 0.02 0.02) = 0.518% QG2 VAL 125 - HB3 MET 97 7.692% * 0.4796% (0.40 0.02 0.02) = 0.480% QG1 VAL 40 - HB3 MET 97 7.692% * 0.4417% (0.37 0.02 0.02) = 0.442% QG2 VAL 122 - HB3 MET 97 7.692% * 0.2194% (0.18 0.02 0.02) = 0.219% Peak 1922 (8.59, 1.88, 34.05 ppm): 4 chemical-shift based assignments, quality = 0.216, support = 4.08, residual support = 12.4: HN VAL 73 - HB3 LYS+ 72 25.000% * 90.2824% (0.22 4.48 13.75) = 90.282% kept HN LYS+ 20 - HB3 LYS+ 72 25.000% * 8.7380% (0.25 0.38 0.02) = 8.738% kept HN THR 39 - HB3 LYS+ 72 25.000% * 0.4980% (0.27 0.02 0.02) = 0.498% HN VAL 80 - HB3 LYS+ 72 25.000% * 0.4816% (0.26 0.02 0.02) = 0.482% Peak 1923 (8.32, 2.18, 33.96 ppm): 36 chemical-shift based assignments, quality = 0.541, support = 2.78, residual support = 10.2: O HN VAL 99 - HB VAL 99 2.778% * 92.9335% (0.55 10.0 2.94 10.93) = 92.934% kept HN GLY 114 - HB VAL 99 2.778% * 4.9301% (0.68 1.0 0.86 0.02) = 4.930% kept HN GLY 114 - HG2 GLN 102 2.778% * 0.6314% (0.97 1.0 0.08 0.02) = 0.631% HN ASN 76 - HG2 GLN 102 2.778% * 0.1663% (0.98 1.0 0.02 0.02) = 0.166% HN VAL 99 - HG2 GLN 102 2.778% * 0.1335% (0.78 1.0 0.02 0.02) = 0.133% HN ASN 76 - HB VAL 99 2.778% * 0.1158% (0.68 1.0 0.02 0.02) = 0.116% HN ASN 76 - HG2 MET 126 2.778% * 0.1131% (0.66 1.0 0.02 0.02) = 0.113% HN GLY 114 - HG2 MET 126 2.778% * 0.1123% (0.66 1.0 0.02 0.02) = 0.112% HN GLU- 50 - HG2 GLN 102 2.778% * 0.1078% (0.63 1.0 0.02 0.32) = 0.108% HN VAL 99 - HG2 MET 126 2.778% * 0.0907% (0.53 1.0 0.02 0.02) = 0.091% HN GLU- 50 - HB VAL 99 2.778% * 0.0751% (0.44 1.0 0.02 0.02) = 0.075% HN GLU- 50 - HG2 MET 126 2.778% * 0.0733% (0.43 1.0 0.02 0.02) = 0.073% HN ALA 91 - HG2 GLN 102 2.778% * 0.0463% (0.27 1.0 0.02 0.02) = 0.046% HN ASN 76 - HG3 MET 126 2.778% * 0.0351% (0.21 1.0 0.02 0.02) = 0.035% HN GLY 114 - HG3 MET 126 2.778% * 0.0349% (0.20 1.0 0.02 0.02) = 0.035% HN ALA 91 - HB VAL 99 2.778% * 0.0323% (0.19 1.0 0.02 0.22) = 0.032% HN ALA 91 - HG2 MET 126 2.778% * 0.0315% (0.19 1.0 0.02 0.02) = 0.032% HN GLU- 109 - HG2 GLN 102 2.778% * 0.0292% (0.17 1.0 0.02 0.10) = 0.029% HN VAL 99 - HG3 MET 126 2.778% * 0.0282% (0.17 1.0 0.02 0.02) = 0.028% HN ASN 76 - HG3 GLN 102 2.778% * 0.0277% (0.16 1.0 0.02 0.02) = 0.028% HN GLY 114 - HG3 GLN 102 2.778% * 0.0275% (0.16 1.0 0.02 0.02) = 0.027% HN ASN 76 - HB3 LYS+ 78 2.778% * 0.0238% (0.14 1.0 0.02 0.02) = 0.024% HN GLY 114 - HB3 LYS+ 78 2.778% * 0.0237% (0.14 1.0 0.02 0.02) = 0.024% HN GLU- 50 - HG3 MET 126 2.778% * 0.0228% (0.13 1.0 0.02 0.02) = 0.023% HN VAL 99 - HG3 GLN 102 2.778% * 0.0222% (0.13 1.0 0.02 0.02) = 0.022% HN GLU- 109 - HB VAL 99 2.778% * 0.0203% (0.12 1.0 0.02 0.02) = 0.020% HN GLU- 109 - HG2 MET 126 2.778% * 0.0198% (0.12 1.0 0.02 0.02) = 0.020% HN VAL 99 - HB3 LYS+ 78 2.778% * 0.0191% (0.11 1.0 0.02 0.02) = 0.019% HN GLU- 50 - HG3 GLN 102 2.778% * 0.0179% (0.11 1.0 0.02 0.32) = 0.018% HN GLU- 50 - HB3 LYS+ 78 2.778% * 0.0154% (0.09 1.0 0.02 0.02) = 0.015% HN ALA 91 - HG3 MET 126 2.778% * 0.0098% (0.06 1.0 0.02 0.02) = 0.010% HN ALA 91 - HG3 GLN 102 2.778% * 0.0077% (0.05 1.0 0.02 0.02) = 0.008% HN ALA 91 - HB3 LYS+ 78 2.778% * 0.0066% (0.04 1.0 0.02 0.02) = 0.007% HN GLU- 109 - HG3 MET 126 2.778% * 0.0062% (0.04 1.0 0.02 0.02) = 0.006% HN GLU- 109 - HG3 GLN 102 2.778% * 0.0049% (0.03 1.0 0.02 0.10) = 0.005% HN GLU- 109 - HB3 LYS+ 78 2.778% * 0.0042% (0.02 1.0 0.02 0.02) = 0.004% Peak 1924 (8.22, 1.85, 33.99 ppm): 9 chemical-shift based assignments, quality = 0.561, support = 1.8, residual support = 4.2: HN VAL 94 - HB3 LYS+ 72 11.111% * 62.2753% (0.64 2.30 6.19) = 62.275% kept HN GLU- 45 - HB3 LYS+ 72 11.111% * 24.3528% (0.51 1.14 1.28) = 24.353% kept HN LYS+ 81 - HB3 LYS+ 72 11.111% * 11.4435% (0.35 0.78 0.31) = 11.443% kept HN VAL 105 - HB3 LYS+ 72 11.111% * 0.5309% (0.63 0.02 0.02) = 0.531% HN SER 49 - HB3 LYS+ 72 11.111% * 0.4494% (0.53 0.02 0.02) = 0.449% HN GLY 58 - HB3 LYS+ 72 11.111% * 0.3631% (0.43 0.02 0.02) = 0.363% HN LEU 67 - HB3 LYS+ 72 11.111% * 0.2953% (0.35 0.02 0.02) = 0.295% HN LYS+ 117 - HB3 LYS+ 72 11.111% * 0.1914% (0.23 0.02 0.02) = 0.191% HN ALA 33 - HB3 LYS+ 72 11.111% * 0.0983% (0.12 0.02 0.02) = 0.098% Peak 1925 (7.97, 1.87, 34.08 ppm): 2 chemical-shift based assignments, quality = 0.413, support = 3.5, residual support = 34.7: O HN LYS+ 72 - HB3 LYS+ 72 50.000% * 99.9063% (0.41 10.0 3.50 34.75) = 99.906% kept HN LEU 43 - HB3 LYS+ 72 50.000% * 0.0937% (0.39 1.0 0.02 0.02) = 0.094% Peak 1926 (4.96, 2.20, 34.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1927 (4.79, 2.18, 34.01 ppm): 20 chemical-shift based assignments, quality = 0.571, support = 0.386, residual support = 0.0192: HA PRO 116 - HG2 GLN 102 5.000% * 25.6711% (0.68 0.49 0.02) = 25.671% kept HA ASP- 115 - HG2 GLN 102 5.000% * 21.5204% (0.54 0.52 0.02) = 21.520% kept HA ASP- 115 - HB VAL 99 5.000% * 20.0059% (0.51 0.51 0.02) = 20.006% kept HA PRO 116 - HG2 MET 126 5.000% * 10.6913% (0.51 0.27 0.02) = 10.691% kept HA LYS+ 113 - HB VAL 99 5.000% * 8.7116% (0.80 0.14 0.02) = 8.712% kept HA PRO 116 - HB VAL 99 5.000% * 5.5061% (0.64 0.11 0.02) = 5.506% kept HA GLU- 107 - HB VAL 99 5.000% * 2.3477% (0.35 0.09 0.02) = 2.348% kept HA LYS+ 113 - HG2 GLN 102 5.000% * 1.3031% (0.84 0.02 0.02) = 1.303% kept HA LYS+ 113 - HG2 MET 126 5.000% * 0.9877% (0.64 0.02 0.02) = 0.988% HA ASP- 115 - HG2 MET 126 5.000% * 0.6333% (0.41 0.02 0.02) = 0.633% HA GLU- 107 - HG2 GLN 102 5.000% * 0.5663% (0.36 0.02 0.02) = 0.566% HA GLU- 107 - HG2 MET 126 5.000% * 0.4293% (0.28 0.02 0.02) = 0.429% HA LYS+ 113 - HG3 MET 126 5.000% * 0.3509% (0.23 0.02 0.02) = 0.351% HA PRO 116 - HG3 MET 126 5.000% * 0.2835% (0.18 0.02 0.02) = 0.283% HA ASP- 115 - HG3 MET 126 5.000% * 0.2250% (0.14 0.02 0.02) = 0.225% HA LYS+ 113 - HB3 LYS+ 78 5.000% * 0.2131% (0.14 0.02 0.02) = 0.213% HA PRO 116 - HB3 LYS+ 78 5.000% * 0.1721% (0.11 0.02 0.02) = 0.172% HA GLU- 107 - HG3 MET 126 5.000% * 0.1525% (0.10 0.02 0.02) = 0.152% HA ASP- 115 - HB3 LYS+ 78 5.000% * 0.1366% (0.09 0.02 0.02) = 0.137% HA GLU- 107 - HB3 LYS+ 78 5.000% * 0.0926% (0.06 0.02 0.02) = 0.093% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 1928 (4.58, 1.87, 34.09 ppm): 2 chemical-shift based assignments, quality = 0.52, support = 3.29, residual support = 34.7: O HA LYS+ 72 - HB3 LYS+ 72 50.000% * 99.8918% (0.52 10.0 3.30 34.75) = 99.892% kept HA ASP- 25 - HB3 LYS+ 72 50.000% * 0.1082% (0.56 1.0 0.02 0.02) = 0.108% Peak 1929 (1.86, 1.85, 33.93 ppm): 1 diagonal assignment: HB3 LYS+ 72 - HB3 LYS+ 72 (0.46) 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): 9 chemical-shift based assignments, quality = 0.394, support = 1.52, residual support = 3.09: O HB3 MET 126 - HG2 MET 126 11.111% * 53.3143% (0.30 10.0 1.00 2.00 3.12) = 53.314% kept O HB3 MET 126 - HG3 MET 126 11.111% * 45.7438% (0.51 10.0 1.00 1.00 3.12) = 45.744% kept T HG3 ARG+ 84 - HG3 MET 126 11.111% * 0.3503% (0.20 1.0 10.00 0.02 0.02) = 0.350% HB3 MET 126 - HB VAL 99 11.111% * 0.2837% (0.29 1.0 1.00 0.11 0.02) = 0.284% HD3 LYS+ 55 - HG3 MET 126 11.111% * 0.1249% (0.70 1.0 1.00 0.02 0.02) = 0.125% HD3 LYS+ 55 - HG2 MET 126 11.111% * 0.0728% (0.41 1.0 1.00 0.02 0.02) = 0.073% HD3 LYS+ 55 - HB VAL 99 11.111% * 0.0702% (0.39 1.0 1.00 0.02 0.02) = 0.070% HG3 ARG+ 84 - HG2 MET 126 11.111% * 0.0204% (0.11 1.0 1.00 0.02 0.02) = 0.020% HG3 ARG+ 84 - HB VAL 99 11.111% * 0.0197% (0.11 1.0 1.00 0.02 0.02) = 0.020% Peak 1933 (0.97, 2.18, 33.97 ppm): 30 chemical-shift based assignments, quality = 0.402, support = 1.48, residual support = 6.2: O QG2 VAL 99 - HB VAL 99 3.333% * 50.5097% (0.37 10.0 1.00 1.51 10.93) = 50.510% kept T HG LEU 74 - HG3 MET 126 3.333% * 22.0677% (0.20 1.0 10.00 1.23 1.13) = 22.068% kept HG LEU 74 - HG2 GLN 102 3.333% * 11.4481% (0.72 1.0 1.00 1.78 1.82) = 11.448% kept HG LEU 74 - HB VAL 99 3.333% * 9.1484% (0.58 1.0 1.00 1.74 1.67) = 9.148% kept HG LEU 74 - HG2 MET 126 3.333% * 6.2123% (0.56 1.0 1.00 1.23 1.13) = 6.212% kept QG2 VAL 99 - HG2 GLN 102 3.333% * 0.0819% (0.46 1.0 1.00 0.02 0.02) = 0.082% QG2 VAL 99 - HG2 MET 126 3.333% * 0.0640% (0.36 1.0 1.00 0.02 0.02) = 0.064% HG3 LYS+ 63 - HG2 GLN 102 3.333% * 0.0468% (0.26 1.0 1.00 0.02 0.02) = 0.047% HG3 LYS+ 63 - HB VAL 99 3.333% * 0.0382% (0.21 1.0 1.00 0.02 0.02) = 0.038% HG3 LYS+ 63 - HG2 MET 126 3.333% * 0.0366% (0.20 1.0 1.00 0.02 0.02) = 0.037% QG2 ILE 29 - HG2 GLN 102 3.333% * 0.0333% (0.19 1.0 1.00 0.02 0.02) = 0.033% HG12 ILE 68 - HG2 GLN 102 3.333% * 0.0333% (0.19 1.0 1.00 0.02 0.02) = 0.033% HG12 ILE 68 - HB VAL 99 3.333% * 0.0272% (0.15 1.0 1.00 0.02 1.30) = 0.027% QG2 ILE 29 - HB VAL 99 3.333% * 0.0272% (0.15 1.0 1.00 0.02 0.02) = 0.027% QG2 ILE 29 - HG2 MET 126 3.333% * 0.0260% (0.14 1.0 1.00 0.02 0.02) = 0.026% HG12 ILE 68 - HG2 MET 126 3.333% * 0.0260% (0.14 1.0 1.00 0.02 0.02) = 0.026% QG2 VAL 62 - HG2 GLN 102 3.333% * 0.0260% (0.14 1.0 1.00 0.02 0.02) = 0.026% QG2 VAL 99 - HG3 MET 126 3.333% * 0.0227% (0.13 1.0 1.00 0.02 0.02) = 0.023% QG2 VAL 62 - HB VAL 99 3.333% * 0.0212% (0.12 1.0 1.00 0.02 0.02) = 0.021% QG2 VAL 62 - HG2 MET 126 3.333% * 0.0203% (0.11 1.0 1.00 0.02 0.02) = 0.020% HG LEU 74 - HB3 LYS+ 78 3.333% * 0.0163% (0.09 1.0 1.00 0.02 0.02) = 0.016% HG3 LYS+ 63 - HG3 MET 126 3.333% * 0.0130% (0.07 1.0 1.00 0.02 0.02) = 0.013% QG2 VAL 99 - HB3 LYS+ 78 3.333% * 0.0104% (0.06 1.0 1.00 0.02 0.02) = 0.010% HG12 ILE 68 - HG3 MET 126 3.333% * 0.0092% (0.05 1.0 1.00 0.02 0.02) = 0.009% QG2 ILE 29 - HG3 MET 126 3.333% * 0.0092% (0.05 1.0 1.00 0.02 0.02) = 0.009% QG2 VAL 62 - HG3 MET 126 3.333% * 0.0072% (0.04 1.0 1.00 0.02 0.02) = 0.007% HG3 LYS+ 63 - HB3 LYS+ 78 3.333% * 0.0059% (0.03 1.0 1.00 0.02 0.02) = 0.006% HG12 ILE 68 - HB3 LYS+ 78 3.333% * 0.0042% (0.02 1.0 1.00 0.02 0.16) = 0.004% QG2 ILE 29 - HB3 LYS+ 78 3.333% * 0.0042% (0.02 1.0 1.00 0.02 0.20) = 0.004% QG2 VAL 62 - HB3 LYS+ 78 3.333% * 0.0033% (0.02 1.0 1.00 0.02 0.02) = 0.003% Peak 1934 (0.82, 1.85, 33.98 ppm): 12 chemical-shift based assignments, quality = 0.621, support = 1.82, residual support = 5.68: T QG1 VAL 94 - HB3 LYS+ 72 8.333% * 91.7820% (0.65 10.00 1.94 6.19) = 91.782% kept T HG LEU 74 - HB3 LYS+ 72 8.333% * 4.4004% (0.23 10.00 0.26 0.11) = 4.400% kept QD2 LEU 67 - HB3 LYS+ 72 8.333% * 2.0068% (0.37 1.00 0.75 0.02) = 2.007% kept QB ALA 93 - HB3 LYS+ 72 8.333% * 1.3165% (0.25 1.00 0.74 0.02) = 1.316% kept HG2 LYS+ 113 - HB3 LYS+ 72 8.333% * 0.0937% (0.65 1.00 0.02 0.02) = 0.094% HG3 LYS+ 113 - HB3 LYS+ 72 8.333% * 0.0927% (0.64 1.00 0.02 0.02) = 0.093% QD2 LEU 17 - HB3 LYS+ 72 8.333% * 0.0873% (0.60 1.00 0.02 0.02) = 0.087% QD2 LEU 90 - HB3 LYS+ 72 8.333% * 0.0790% (0.55 1.00 0.02 0.02) = 0.079% QD1 ILE 29 - HB3 LYS+ 72 8.333% * 0.0757% (0.52 1.00 0.02 0.02) = 0.076% HG2 LYS+ 117 - HB3 LYS+ 72 8.333% * 0.0322% (0.22 1.00 0.02 0.02) = 0.032% HG3 LYS+ 117 - HB3 LYS+ 72 8.333% * 0.0210% (0.15 1.00 0.02 0.02) = 0.021% QD1 ILE 100 - HB3 LYS+ 72 8.333% * 0.0128% (0.09 1.00 0.02 0.02) = 0.013% Peak 1935 (0.69, 1.85, 33.99 ppm): 8 chemical-shift based assignments, quality = 0.613, support = 1.9, residual support = 3.46: QG2 VAL 94 - HB3 LYS+ 72 12.500% * 44.3737% (0.64 2.78 6.19) = 44.374% kept QD1 ILE 19 - HB3 LYS+ 72 12.500% * 23.1091% (0.67 1.40 1.35) = 23.109% kept HG12 ILE 19 - HB3 LYS+ 72 12.500% * 20.1898% (0.63 1.30 1.35) = 20.190% kept QG1 VAL 62 - HB3 LYS+ 72 12.500% * 7.1967% (0.30 0.95 1.73) = 7.197% kept HG2 PRO 59 - HB3 LYS+ 72 12.500% * 4.5582% (0.54 0.34 0.02) = 4.558% kept HG LEU 67 - HB3 LYS+ 72 12.500% * 0.2817% (0.57 0.02 0.02) = 0.282% QG2 ILE 101 - HB3 LYS+ 72 12.500% * 0.1642% (0.33 0.02 0.02) = 0.164% QG2 ILE 48 - HB3 LYS+ 72 12.500% * 0.1266% (0.26 0.02 0.02) = 0.127% Peak 1936 (0.58, 2.18, 34.00 ppm): 10 chemical-shift based assignments, quality = 0.837, support = 1.79, residual support = 4.71: T QD1 LEU 23 - HB VAL 99 10.000% * 61.4717% (0.86 10.00 2.46 7.36) = 61.472% kept T QD1 LEU 23 - HG2 GLN 102 10.000% * 25.7356% (0.85 10.00 0.85 0.73) = 25.736% kept T QD1 LEU 23 - HG2 MET 126 10.000% * 12.2006% (0.75 10.00 0.45 0.02) = 12.201% kept QD1 LEU 23 - HG3 MET 126 10.000% * 0.5483% (0.30 1.00 0.50 0.02) = 0.548% QD1 ILE 101 - HB VAL 99 10.000% * 0.0109% (0.15 1.00 0.02 0.02) = 0.011% QD1 ILE 101 - HG2 GLN 102 10.000% * 0.0107% (0.15 1.00 0.02 20.00) = 0.011% QD1 ILE 101 - HG2 MET 126 10.000% * 0.0095% (0.13 1.00 0.02 0.02) = 0.009% QD1 LEU 23 - HB3 LYS+ 78 10.000% * 0.0075% (0.11 1.00 0.02 0.02) = 0.008% QD1 ILE 101 - HG3 MET 126 10.000% * 0.0039% (0.05 1.00 0.02 0.02) = 0.004% QD1 ILE 101 - HB3 LYS+ 78 10.000% * 0.0013% (0.02 1.00 0.02 0.02) = 0.001% Peak 1937 (8.93, 2.23, 33.85 ppm): 20 chemical-shift based assignments, quality = 0.475, support = 0.45, residual support = 0.902: HN PHE 21 - HG3 MET 126 5.000% * 23.0373% (0.72 0.29 0.36) = 23.037% kept HN ARG+ 22 - HG3 MET 126 5.000% * 22.4071% (0.58 0.35 0.02) = 22.407% kept HN GLN 102 - HG3 MET 126 5.000% * 19.3430% (0.18 0.98 3.44) = 19.343% kept HN THR 96 - HG3 MET 126 5.000% * 18.8928% (0.64 0.26 0.02) = 18.893% kept HN ARG+ 22 - HB VAL 99 5.000% * 6.2550% (0.07 0.86 2.11) = 6.255% kept HN PHE 21 - HG2 MET 126 5.000% * 3.4014% (0.28 0.11 0.36) = 3.401% kept HN PHE 21 - HB VAL 99 5.000% * 2.6254% (0.08 0.29 0.02) = 2.625% kept HN ARG+ 22 - HG2 MET 126 5.000% * 2.1058% (0.23 0.08 0.02) = 2.106% kept HN THR 96 - HG2 MET 126 5.000% * 0.5544% (0.25 0.02 0.02) = 0.554% HN MET 97 - HG3 MET 126 5.000% * 0.3120% (0.14 0.02 0.02) = 0.312% HN PHE 21 - HB2 LYS+ 113 5.000% * 0.1749% (0.08 0.02 0.02) = 0.175% HN THR 96 - HB VAL 99 5.000% * 0.1605% (0.07 0.02 0.02) = 0.160% HN THR 96 - HB2 LYS+ 113 5.000% * 0.1562% (0.07 0.02 0.02) = 0.156% HN GLN 102 - HG2 MET 126 5.000% * 0.1541% (0.07 0.02 3.44) = 0.154% HN ARG+ 22 - HB2 LYS+ 113 5.000% * 0.1416% (0.06 0.02 0.02) = 0.142% HN MET 97 - HG2 MET 126 5.000% * 0.1213% (0.05 0.02 0.02) = 0.121% HN GLN 102 - HB VAL 99 5.000% * 0.0446% (0.02 0.02 0.02) = 0.045% HN GLN 102 - HB2 LYS+ 113 5.000% * 0.0434% (0.02 0.02 0.02) = 0.043% HN MET 97 - HB VAL 99 5.000% * 0.0351% (0.02 0.02 1.30) = 0.035% HN MET 97 - HB2 LYS+ 113 5.000% * 0.0342% (0.02 0.02 0.02) = 0.034% 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): 5 chemical-shift based assignments, quality = 0.233, support = 0.379, residual support = 0.112: HA ASN 119 - HG3 MET 126 20.000% * 62.5785% (0.15 0.56 0.17) = 62.578% kept HA2 GLY 30 - HG3 MET 126 20.000% * 28.3615% (0.42 0.09 0.02) = 28.361% kept HA PRO 31 - HG3 MET 126 20.000% * 4.0862% (0.28 0.02 0.02) = 4.086% kept HA THR 61 - HG3 MET 126 20.000% * 2.9672% (0.20 0.02 0.02) = 2.967% kept HA ASN 89 - HG3 MET 126 20.000% * 2.0067% (0.14 0.02 0.02) = 2.007% kept Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 1940 (4.69, 2.11, 33.83 ppm): 5 chemical-shift based assignments, quality = 0.153, support = 0.02, residual support = 0.02: HA THR 61 - HG3 GLN 102 20.000% * 27.8774% (0.19 0.02 0.02) = 27.877% kept HA ASN 119 - HG3 GLN 102 20.000% * 25.2245% (0.17 0.02 0.02) = 25.225% kept HA ASN 89 - HG3 GLN 102 20.000% * 24.1816% (0.16 0.02 0.02) = 24.182% kept HA TYR 83 - HG3 GLN 102 20.000% * 12.4153% (0.08 0.02 0.02) = 12.415% kept HA2 GLY 30 - HG3 GLN 102 20.000% * 10.3012% (0.07 0.02 0.02) = 10.301% kept Not enough support, support cutoff is 0.25 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): 4 diagonal assignments: HG2 MET 126 - HG2 MET 126 (0.25) kept HG2 GLN 102 - HG2 GLN 102 (0.18) kept HB VAL 99 - HB VAL 99 (0.11) kept HB2 LYS+ 113 - HB2 LYS+ 113 (0.06) kept Peak 1946 (2.21, 2.23, 33.83 ppm): 4 diagonal assignments: HG3 MET 126 - HG3 MET 126 (0.72) kept HG2 MET 126 - HG2 MET 126 (0.19) kept HB2 LYS+ 113 - HB2 LYS+ 113 (0.08) kept HB VAL 99 - HB VAL 99 (0.03) kept Peak 1949 (1.91, 2.23, 33.79 ppm): 36 chemical-shift based assignments, quality = 0.493, support = 0.636, residual support = 2.41: T HB3 GLN 102 - HG3 MET 126 2.778% * 54.6967% (0.60 10.00 0.81 3.44) = 54.697% kept T HB3 GLU- 56 - HG3 MET 126 2.778% * 22.6134% (0.55 10.00 0.36 0.02) = 22.613% kept T HB3 GLN 102 - HG2 MET 126 2.778% * 15.1445% (0.19 10.00 0.69 3.44) = 15.145% kept HB3 MET 118 - HG3 MET 126 2.778% * 1.5162% (0.52 1.00 0.26 0.02) = 1.516% kept HB ILE 29 - HG3 MET 126 2.778% * 1.2164% (0.37 1.00 0.29 0.02) = 1.216% kept HB3 PRO 35 - HG3 MET 126 2.778% * 0.8045% (0.47 1.00 0.15 0.02) = 0.805% HB2 LEU 23 - HG2 MET 126 2.778% * 0.7381% (0.17 1.00 0.37 0.02) = 0.738% HB2 PRO 116 - HG3 MET 126 2.778% * 0.6398% (0.21 1.00 0.27 0.02) = 0.640% T HG2 GLU- 18 - HG3 MET 126 2.778% * 0.5254% (0.23 10.00 0.02 0.02) = 0.525% T HB3 GLU- 56 - HG2 MET 126 2.778% * 0.4076% (0.18 10.00 0.02 0.02) = 0.408% T HB3 GLN 102 - HB2 LYS+ 113 2.778% * 0.2428% (0.11 10.00 0.02 0.02) = 0.243% T HB3 GLU- 56 - HB2 LYS+ 113 2.778% * 0.2256% (0.10 10.00 0.02 0.02) = 0.226% T HG2 GLU- 18 - HG2 MET 126 2.778% * 0.1706% (0.08 10.00 0.02 0.02) = 0.171% HD3 LYS+ 63 - HG3 MET 126 2.778% * 0.1397% (0.62 1.00 0.02 0.02) = 0.140% HB3 GLU- 54 - HG3 MET 126 2.778% * 0.1324% (0.58 1.00 0.02 0.02) = 0.132% HB2 LEU 23 - HG3 MET 126 2.778% * 0.1214% (0.54 1.00 0.02 0.02) = 0.121% T HG2 GLU- 18 - HB2 LYS+ 113 2.778% * 0.0944% (0.04 10.00 0.02 0.92) = 0.094% HB3 CYS 123 - HG3 MET 126 2.778% * 0.0849% (0.37 1.00 0.02 0.02) = 0.085% HB ILE 29 - HB2 LYS+ 113 2.778% * 0.0604% (0.07 1.00 0.08 0.34) = 0.060% HD3 LYS+ 63 - HG2 MET 126 2.778% * 0.0453% (0.20 1.00 0.02 0.02) = 0.045% HB3 GLU- 54 - HG2 MET 126 2.778% * 0.0430% (0.19 1.00 0.02 0.02) = 0.043% HG2 PRO 112 - HG3 MET 126 2.778% * 0.0389% (0.17 1.00 0.02 0.02) = 0.039% HB3 MET 118 - HG2 MET 126 2.778% * 0.0380% (0.17 1.00 0.02 0.02) = 0.038% HB3 PRO 35 - HG2 MET 126 2.778% * 0.0347% (0.15 1.00 0.02 0.02) = 0.035% HB ILE 29 - HG2 MET 126 2.778% * 0.0276% (0.12 1.00 0.02 0.02) = 0.028% HB3 CYS 123 - HG2 MET 126 2.778% * 0.0276% (0.12 1.00 0.02 0.02) = 0.028% HD3 LYS+ 63 - HB2 LYS+ 113 2.778% * 0.0251% (0.11 1.00 0.02 0.02) = 0.025% HB3 GLU- 54 - HB2 LYS+ 113 2.778% * 0.0238% (0.10 1.00 0.02 0.02) = 0.024% HB2 LEU 23 - HB2 LYS+ 113 2.778% * 0.0218% (0.10 1.00 0.02 1.01) = 0.022% HB3 MET 118 - HB2 LYS+ 113 2.778% * 0.0210% (0.09 1.00 0.02 0.02) = 0.021% HB3 PRO 35 - HB2 LYS+ 113 2.778% * 0.0192% (0.08 1.00 0.02 0.02) = 0.019% HB2 PRO 116 - HG2 MET 126 2.778% * 0.0155% (0.07 1.00 0.02 0.02) = 0.016% HB3 CYS 123 - HB2 LYS+ 113 2.778% * 0.0153% (0.07 1.00 0.02 0.02) = 0.015% HG2 PRO 112 - HG2 MET 126 2.778% * 0.0126% (0.06 1.00 0.02 0.02) = 0.013% HB2 PRO 116 - HB2 LYS+ 113 2.778% * 0.0086% (0.04 1.00 0.02 0.02) = 0.009% HG2 PRO 112 - HB2 LYS+ 113 2.778% * 0.0070% (0.03 1.00 0.02 5.65) = 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1958 (8.35, 1.80, 33.11 ppm): 42 chemical-shift based assignments, quality = 0.23, support = 2.2, residual support = 15.3: O HN LYS+ 108 - HB3 LYS+ 108 2.381% * 85.5749% (0.21 10.0 2.44 17.62) = 85.575% kept HN GLU- 109 - HB3 LYS+ 108 2.381% * 6.3464% (0.26 1.0 1.24 2.25) = 6.346% kept HN GLU- 50 - HB3 LYS+ 44 2.381% * 5.7395% (0.53 1.0 0.54 1.17) = 5.739% kept HN GLU- 109 - HB3 LYS+ 44 2.381% * 0.3262% (0.82 1.0 0.02 0.02) = 0.326% HN ALA 103 - HB3 LYS+ 44 2.381% * 0.3234% (0.81 1.0 0.02 0.02) = 0.323% HN LYS+ 108 - HB3 LYS+ 44 2.381% * 0.2725% (0.68 1.0 0.02 0.02) = 0.272% HN GLY 71 - HB3 LYS+ 44 2.381% * 0.1716% (0.43 1.0 0.02 0.24) = 0.172% HN ALA 103 - HB3 LYS+ 108 2.381% * 0.1015% (0.25 1.0 0.02 0.02) = 0.102% HN GLU- 109 - HB3 LYS+ 113 2.381% * 0.0734% (0.18 1.0 0.02 0.02) = 0.073% HN ALA 103 - HB3 LYS+ 113 2.381% * 0.0728% (0.18 1.0 0.02 0.02) = 0.073% HN GLY 114 - HB3 LYS+ 44 2.381% * 0.0726% (0.18 1.0 0.02 0.02) = 0.073% HN GLU- 50 - HB3 LYS+ 108 2.381% * 0.0663% (0.17 1.0 0.02 0.02) = 0.066% HN LYS+ 108 - HB3 LYS+ 113 2.381% * 0.0613% (0.15 1.0 0.02 0.02) = 0.061% HN GLU- 109 - HB2 LYS+ 117 2.381% * 0.0540% (0.14 1.0 0.02 0.02) = 0.054% HN GLU- 109 - HB3 LYS+ 117 2.381% * 0.0540% (0.14 1.0 0.02 0.02) = 0.054% HN GLY 71 - HB3 LYS+ 108 2.381% * 0.0539% (0.13 1.0 0.02 0.02) = 0.054% HN ALA 103 - HB2 LYS+ 117 2.381% * 0.0535% (0.13 1.0 0.02 0.02) = 0.054% HN ALA 103 - HB3 LYS+ 117 2.381% * 0.0535% (0.13 1.0 0.02 0.02) = 0.054% HN ASN 76 - HB3 LYS+ 44 2.381% * 0.0503% (0.13 1.0 0.02 0.02) = 0.050% HN GLU- 50 - HB3 LYS+ 113 2.381% * 0.0475% (0.12 1.0 0.02 0.02) = 0.048% HN LYS+ 108 - HB2 LYS+ 117 2.381% * 0.0451% (0.11 1.0 0.02 0.39) = 0.045% HN LYS+ 108 - HB3 LYS+ 117 2.381% * 0.0451% (0.11 1.0 0.02 0.39) = 0.045% HN GLY 71 - HB3 LYS+ 113 2.381% * 0.0386% (0.10 1.0 0.02 0.02) = 0.039% HN GLU- 50 - HB2 LYS+ 117 2.381% * 0.0349% (0.09 1.0 0.02 0.02) = 0.035% HN GLU- 50 - HB3 LYS+ 117 2.381% * 0.0349% (0.09 1.0 0.02 0.02) = 0.035% HN GLY 71 - HB2 LYS+ 117 2.381% * 0.0284% (0.07 1.0 0.02 0.02) = 0.028% HN GLY 71 - HB3 LYS+ 117 2.381% * 0.0284% (0.07 1.0 0.02 0.02) = 0.028% HN GLY 114 - HB3 LYS+ 108 2.381% * 0.0228% (0.06 1.0 0.02 0.15) = 0.023% HN GLY 114 - HB3 LYS+ 113 2.381% * 0.0164% (0.04 1.0 0.02 1.16) = 0.016% HN ASN 76 - HB3 LYS+ 108 2.381% * 0.0158% (0.04 1.0 0.02 0.02) = 0.016% HN GLU- 109 - HB2 PRO 59 2.381% * 0.0155% (0.04 1.0 0.02 0.02) = 0.016% HN ALA 103 - HB2 PRO 59 2.381% * 0.0154% (0.04 1.0 0.02 0.02) = 0.015% HN LYS+ 108 - HB2 PRO 59 2.381% * 0.0130% (0.03 1.0 0.02 0.02) = 0.013% HN GLY 114 - HB2 LYS+ 117 2.381% * 0.0120% (0.03 1.0 0.02 0.02) = 0.012% HN GLY 114 - HB3 LYS+ 117 2.381% * 0.0120% (0.03 1.0 0.02 0.02) = 0.012% HN ASN 76 - HB3 LYS+ 113 2.381% * 0.0113% (0.03 1.0 0.02 0.02) = 0.011% HN GLU- 50 - HB2 PRO 59 2.381% * 0.0100% (0.03 1.0 0.02 0.12) = 0.010% HN ASN 76 - HB2 LYS+ 117 2.381% * 0.0083% (0.02 1.0 0.02 0.02) = 0.008% HN ASN 76 - HB3 LYS+ 117 2.381% * 0.0083% (0.02 1.0 0.02 0.02) = 0.008% HN GLY 71 - HB2 PRO 59 2.381% * 0.0082% (0.02 1.0 0.02 0.02) = 0.008% HN GLY 114 - HB2 PRO 59 2.381% * 0.0035% (0.01 1.0 0.02 0.02) = 0.003% HN ASN 76 - HB2 PRO 59 2.381% * 0.0024% (0.01 1.0 0.02 0.02) = 0.002% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1961 (8.24, 2.03, 33.03 ppm): 27 chemical-shift based assignments, quality = 0.143, support = 2.38, residual support = 11.2: O HN VAL 105 - HB VAL 105 3.704% * 73.2425% (0.15 10.0 2.42 11.26) = 73.243% kept HN THR 106 - HB VAL 105 3.704% * 13.0696% (0.19 1.0 2.79 7.84) = 13.070% kept HN GLU- 45 - HB2 LYS+ 44 3.704% * 8.7143% (0.12 1.0 2.83 22.09) = 8.714% kept HN GLY 58 - HB3 LYS+ 110 3.704% * 0.4139% (0.83 1.0 0.02 0.02) = 0.414% HN LYS+ 81 - HB3 LYS+ 110 3.704% * 0.4112% (0.82 1.0 0.02 0.02) = 0.411% HN LEU 67 - HB3 LYS+ 110 3.704% * 0.4112% (0.82 1.0 0.02 0.02) = 0.411% HN SER 49 - HB3 LYS+ 110 3.704% * 0.3924% (0.79 1.0 0.02 0.02) = 0.392% HN GLY 58 - HB2 LYS+ 44 3.704% * 0.2759% (0.55 1.0 0.02 3.73) = 0.276% HN LEU 67 - HB2 LYS+ 44 3.704% * 0.2741% (0.55 1.0 0.02 0.21) = 0.274% HN LYS+ 81 - HB2 LYS+ 44 3.704% * 0.2741% (0.55 1.0 0.02 0.02) = 0.274% HN SER 49 - HB2 LYS+ 44 3.704% * 0.2616% (0.52 1.0 0.02 0.60) = 0.262% HN THR 106 - HB3 LYS+ 110 3.704% * 0.2183% (0.44 1.0 0.02 0.02) = 0.218% HN VAL 94 - HB3 LYS+ 110 3.704% * 0.1860% (0.37 1.0 0.02 0.02) = 0.186% HN ASP- 115 - HB3 LYS+ 110 3.704% * 0.1860% (0.37 1.0 0.02 0.02) = 0.186% HN GLY 58 - HB VAL 105 3.704% * 0.1778% (0.36 1.0 0.02 0.23) = 0.178% HN LYS+ 81 - HB VAL 105 3.704% * 0.1766% (0.35 1.0 0.02 0.02) = 0.177% HN LEU 67 - HB VAL 105 3.704% * 0.1766% (0.35 1.0 0.02 0.02) = 0.177% HN VAL 105 - HB3 LYS+ 110 3.704% * 0.1705% (0.34 1.0 0.02 0.02) = 0.171% HN SER 49 - HB VAL 105 3.704% * 0.1685% (0.34 1.0 0.02 0.02) = 0.169% HN THR 106 - HB2 LYS+ 44 3.704% * 0.1455% (0.29 1.0 0.02 0.02) = 0.146% HN VAL 94 - HB2 LYS+ 44 3.704% * 0.1240% (0.25 1.0 0.02 0.49) = 0.124% HN ASP- 115 - HB2 LYS+ 44 3.704% * 0.1240% (0.25 1.0 0.02 0.02) = 0.124% HN VAL 105 - HB2 LYS+ 44 3.704% * 0.1137% (0.23 1.0 0.02 0.02) = 0.114% HN GLU- 45 - HB3 LYS+ 110 3.704% * 0.0924% (0.18 1.0 0.02 0.02) = 0.092% HN ASP- 115 - HB VAL 105 3.704% * 0.0799% (0.16 1.0 0.02 0.02) = 0.080% HN VAL 94 - HB VAL 105 3.704% * 0.0799% (0.16 1.0 0.02 0.94) = 0.080% HN GLU- 45 - HB VAL 105 3.704% * 0.0397% (0.08 1.0 0.02 0.02) = 0.040% Peak 1963 (4.26, 1.79, 33.17 ppm): 42 chemical-shift based assignments, quality = 0.268, support = 2.28, residual support = 14.5: O HA LYS+ 108 - HB3 LYS+ 108 2.381% * 82.4688% (0.23 10.0 2.61 17.62) = 82.469% kept HD3 PRO 59 - HB3 LYS+ 44 2.381% * 11.8617% (0.63 1.0 1.05 0.02) = 11.862% kept HA2 GLY 114 - HB3 LYS+ 113 2.381% * 1.0671% (0.25 1.0 0.24 1.16) = 1.067% kept HA GLU- 75 - HB3 LYS+ 44 2.381% * 0.3114% (0.87 1.0 0.02 0.02) = 0.311% HA GLU- 56 - HB3 LYS+ 44 2.381% * 0.2952% (0.83 1.0 0.02 0.02) = 0.295% HA2 GLY 114 - HB3 LYS+ 44 2.381% * 0.2707% (0.76 1.0 0.02 0.02) = 0.271% HA ARG+ 84 - HB3 LYS+ 44 2.381% * 0.2607% (0.73 1.0 0.02 0.02) = 0.261% HA VAL 65 - HB3 LYS+ 44 2.381% * 0.2499% (0.70 1.0 0.02 0.02) = 0.250% HA SER 85 - HB3 LYS+ 44 2.381% * 0.2266% (0.63 1.0 0.02 0.02) = 0.227% HA PRO 52 - HB3 LYS+ 44 2.381% * 0.2266% (0.63 1.0 0.02 0.02) = 0.227% HA ALA 91 - HB3 LYS+ 44 2.381% * 0.2144% (0.60 1.0 0.02 0.02) = 0.214% HA LYS+ 108 - HB3 LYS+ 44 2.381% * 0.1893% (0.53 1.0 0.02 0.02) = 0.189% HA PRO 59 - HB3 LYS+ 44 2.381% * 0.1767% (0.49 1.0 0.02 0.02) = 0.177% HA GLU- 75 - HB3 LYS+ 108 2.381% * 0.1357% (0.38 1.0 0.02 0.02) = 0.136% HA GLU- 56 - HB3 LYS+ 108 2.381% * 0.1286% (0.36 1.0 0.02 0.02) = 0.129% HA2 GLY 114 - HB3 LYS+ 108 2.381% * 0.1179% (0.33 1.0 0.02 0.15) = 0.118% HA ARG+ 84 - HB3 LYS+ 108 2.381% * 0.1136% (0.32 1.0 0.02 0.02) = 0.114% HA VAL 65 - HB3 LYS+ 108 2.381% * 0.1089% (0.30 1.0 0.02 0.10) = 0.109% HA GLU- 75 - HB3 LYS+ 113 2.381% * 0.1035% (0.29 1.0 0.02 0.02) = 0.104% HD3 PRO 59 - HB3 LYS+ 108 2.381% * 0.0987% (0.28 1.0 0.02 0.02) = 0.099% HA SER 85 - HB3 LYS+ 108 2.381% * 0.0987% (0.28 1.0 0.02 0.02) = 0.099% HA PRO 52 - HB3 LYS+ 108 2.381% * 0.0987% (0.28 1.0 0.02 0.02) = 0.099% HA GLU- 56 - HB3 LYS+ 113 2.381% * 0.0981% (0.27 1.0 0.02 0.02) = 0.098% HA ALA 91 - HB3 LYS+ 108 2.381% * 0.0934% (0.26 1.0 0.02 0.02) = 0.093% HA ARG+ 84 - HB3 LYS+ 113 2.381% * 0.0866% (0.24 1.0 0.02 0.02) = 0.087% HA VAL 65 - HB3 LYS+ 113 2.381% * 0.0831% (0.23 1.0 0.02 0.02) = 0.083% HA THR 106 - HB3 LYS+ 44 2.381% * 0.0778% (0.22 1.0 0.02 0.02) = 0.078% HA PRO 59 - HB3 LYS+ 108 2.381% * 0.0770% (0.22 1.0 0.02 0.02) = 0.077% HD3 PRO 59 - HB3 LYS+ 113 2.381% * 0.0753% (0.21 1.0 0.02 0.02) = 0.075% HA SER 85 - HB3 LYS+ 113 2.381% * 0.0753% (0.21 1.0 0.02 0.02) = 0.075% HA PRO 52 - HB3 LYS+ 113 2.381% * 0.0753% (0.21 1.0 0.02 0.02) = 0.075% HA ALA 91 - HB3 LYS+ 113 2.381% * 0.0713% (0.20 1.0 0.02 0.02) = 0.071% HA LYS+ 108 - HB3 LYS+ 113 2.381% * 0.0629% (0.18 1.0 0.02 0.02) = 0.063% HA PRO 59 - HB3 LYS+ 113 2.381% * 0.0587% (0.16 1.0 0.02 0.02) = 0.059% HA GLU- 54 - HB3 LYS+ 44 2.381% * 0.0547% (0.15 1.0 0.02 0.02) = 0.055% HA LEU 90 - HB3 LYS+ 44 2.381% * 0.0482% (0.13 1.0 0.02 0.02) = 0.048% HA THR 106 - HB3 LYS+ 108 2.381% * 0.0339% (0.09 1.0 0.02 0.02) = 0.034% HA THR 106 - HB3 LYS+ 113 2.381% * 0.0259% (0.07 1.0 0.02 0.02) = 0.026% HA GLU- 54 - HB3 LYS+ 108 2.381% * 0.0238% (0.07 1.0 0.02 0.02) = 0.024% HA LEU 90 - HB3 LYS+ 108 2.381% * 0.0210% (0.06 1.0 0.02 0.02) = 0.021% HA GLU- 54 - HB3 LYS+ 113 2.381% * 0.0182% (0.05 1.0 0.02 0.02) = 0.018% HA LEU 90 - HB3 LYS+ 113 2.381% * 0.0160% (0.04 1.0 0.02 0.33) = 0.016% Peak 1965 (4.12, 2.03, 33.02 ppm): 27 chemical-shift based assignments, quality = 0.22, support = 1.93, residual support = 10.5: O HA LYS+ 44 - HB2 LYS+ 44 3.704% * 61.6594% (0.28 10.0 1.00 1.70 10.92) = 61.659% kept O HA VAL 105 - HB VAL 105 3.704% * 31.1123% (0.12 10.0 1.00 2.72 11.26) = 31.112% kept HB THR 106 - HB VAL 105 3.704% * 3.6189% (0.26 1.0 1.00 1.07 7.84) = 3.619% kept T HA VAL 105 - HB3 LYS+ 110 3.704% * 0.9343% (0.36 1.0 10.00 0.02 0.02) = 0.934% T HA VAL 105 - HB2 LYS+ 44 3.704% * 0.5356% (0.21 1.0 10.00 0.02 0.02) = 0.536% HA ARG+ 53 - HB3 LYS+ 110 3.704% * 0.2193% (0.85 1.0 1.00 0.02 0.02) = 0.219% HB THR 106 - HB3 LYS+ 110 3.704% * 0.2038% (0.79 1.0 1.00 0.02 0.02) = 0.204% HD2 PRO 59 - HB3 LYS+ 110 3.704% * 0.1971% (0.76 1.0 1.00 0.02 0.02) = 0.197% HA THR 46 - HB3 LYS+ 110 3.704% * 0.1561% (0.60 1.0 1.00 0.02 0.02) = 0.156% HA2 GLY 71 - HB3 LYS+ 110 3.704% * 0.1561% (0.60 1.0 1.00 0.02 0.02) = 0.156% HA LYS+ 44 - HB3 LYS+ 110 3.704% * 0.1266% (0.49 1.0 1.00 0.02 0.02) = 0.127% HA ARG+ 53 - HB2 LYS+ 44 3.704% * 0.1257% (0.49 1.0 1.00 0.02 0.02) = 0.126% HB THR 106 - HB2 LYS+ 44 3.704% * 0.1168% (0.45 1.0 1.00 0.02 0.02) = 0.117% HD2 PRO 59 - HB2 LYS+ 44 3.704% * 0.1130% (0.44 1.0 1.00 0.02 0.02) = 0.113% HB2 SER 88 - HB3 LYS+ 110 3.704% * 0.1019% (0.39 1.0 1.00 0.02 0.02) = 0.102% HA THR 46 - HB2 LYS+ 44 3.704% * 0.0895% (0.35 1.0 1.00 0.02 1.27) = 0.089% HA2 GLY 71 - HB2 LYS+ 44 3.704% * 0.0895% (0.35 1.0 1.00 0.02 0.24) = 0.089% HA ARG+ 53 - HB VAL 105 3.704% * 0.0730% (0.28 1.0 1.00 0.02 0.02) = 0.073% HD2 PRO 59 - HB VAL 105 3.704% * 0.0656% (0.25 1.0 1.00 0.02 0.02) = 0.066% HB2 SER 88 - HB2 LYS+ 44 3.704% * 0.0584% (0.23 1.0 1.00 0.02 0.14) = 0.058% HA THR 46 - HB VAL 105 3.704% * 0.0520% (0.20 1.0 1.00 0.02 0.02) = 0.052% HA2 GLY 71 - HB VAL 105 3.704% * 0.0520% (0.20 1.0 1.00 0.02 0.02) = 0.052% HA LYS+ 44 - HB VAL 105 3.704% * 0.0422% (0.16 1.0 1.00 0.02 0.02) = 0.042% HA ALA 70 - HB3 LYS+ 110 3.704% * 0.0351% (0.14 1.0 1.00 0.02 0.02) = 0.035% HB2 SER 88 - HB VAL 105 3.704% * 0.0339% (0.13 1.0 1.00 0.02 0.02) = 0.034% HA ALA 70 - HB2 LYS+ 44 3.704% * 0.0201% (0.08 1.0 1.00 0.02 0.80) = 0.020% HA ALA 70 - HB VAL 105 3.704% * 0.0117% (0.05 1.0 1.00 0.02 0.02) = 0.012% Peak 1972 (2.10, 2.09, 32.97 ppm): 3 diagonal assignments: HB2 LYS+ 110 - HB2 LYS+ 110 (0.80) kept HB VAL 87 - HB VAL 87 (0.52) kept HB VAL 125 - HB VAL 125 (0.28) kept Peak 1974 (2.04, 2.03, 33.01 ppm): 2 diagonal assignments: HB3 LYS+ 110 - HB3 LYS+ 110 (0.80) kept HB2 LYS+ 44 - HB2 LYS+ 44 (0.27) kept Peak 1988 (1.78, 1.79, 33.13 ppm): 3 diagonal assignments: HB3 LYS+ 44 - HB3 LYS+ 44 (0.34) kept HB3 LYS+ 108 - HB3 LYS+ 108 (0.17) kept HB3 LYS+ 113 - HB3 LYS+ 113 (0.13) kept Peak 1992 (1.63, 2.03, 32.94 ppm): 33 chemical-shift based assignments, quality = 0.292, support = 1.51, residual support = 8.13: O HG2 LYS+ 110 - HB3 LYS+ 110 3.030% * 60.9190% (0.30 10.0 1.00 2.00 9.20) = 60.919% kept O HG3 LYS+ 110 - HB3 LYS+ 110 3.030% * 27.4387% (0.27 10.0 1.00 1.00 9.20) = 27.439% kept T HG12 ILE 101 - HB2 LYS+ 44 3.030% * 7.1884% (0.28 1.0 10.00 0.25 0.02) = 7.188% kept T HG12 ILE 101 - HB3 LYS+ 110 3.030% * 1.8220% (0.89 1.0 10.00 0.02 0.02) = 1.822% kept HB ILE 100 - HB3 LYS+ 110 3.030% * 0.6923% (0.89 1.0 1.00 0.08 0.02) = 0.692% T HG3 ARG+ 84 - HB3 LYS+ 110 3.030% * 0.4922% (0.24 1.0 10.00 0.02 0.02) = 0.492% HG LEU 23 - HB3 LYS+ 110 3.030% * 0.1905% (0.93 1.0 1.00 0.02 0.02) = 0.190% HB2 LEU 67 - HB3 LYS+ 110 3.030% * 0.1822% (0.89 1.0 1.00 0.02 0.02) = 0.182% T HG3 ARG+ 84 - HB2 LYS+ 44 3.030% * 0.1549% (0.08 1.0 10.00 0.02 0.02) = 0.155% HG3 LYS+ 78 - HB3 LYS+ 110 3.030% * 0.1277% (0.63 1.0 1.00 0.02 0.02) = 0.128% HB3 ARG+ 22 - HB3 LYS+ 110 3.030% * 0.1038% (0.51 1.0 1.00 0.02 0.02) = 0.104% HB3 MET 97 - HB3 LYS+ 110 3.030% * 0.0885% (0.43 1.0 1.00 0.02 0.02) = 0.088% HG LEU 23 - HB2 LYS+ 44 3.030% * 0.0599% (0.29 1.0 1.00 0.02 0.12) = 0.060% HB2 LEU 67 - HB2 LYS+ 44 3.030% * 0.0573% (0.28 1.0 1.00 0.02 0.21) = 0.057% HB ILE 100 - HB2 LYS+ 44 3.030% * 0.0573% (0.28 1.0 1.00 0.02 0.02) = 0.057% HG3 LYS+ 78 - HB2 LYS+ 44 3.030% * 0.0402% (0.20 1.0 1.00 0.02 0.02) = 0.040% HG LEU 23 - HB VAL 105 3.030% * 0.0368% (0.18 1.0 1.00 0.02 0.02) = 0.037% HB ILE 100 - HB VAL 105 3.030% * 0.0352% (0.17 1.0 1.00 0.02 0.02) = 0.035% HB2 LEU 67 - HB VAL 105 3.030% * 0.0352% (0.17 1.0 1.00 0.02 0.02) = 0.035% HG12 ILE 101 - HB VAL 105 3.030% * 0.0352% (0.17 1.0 1.00 0.02 0.02) = 0.035% HB3 LEU 17 - HB3 LYS+ 110 3.030% * 0.0346% (0.17 1.0 1.00 0.02 0.02) = 0.035% HB3 ARG+ 22 - HB2 LYS+ 44 3.030% * 0.0327% (0.16 1.0 1.00 0.02 0.02) = 0.033% HB3 MET 97 - HB2 LYS+ 44 3.030% * 0.0278% (0.14 1.0 1.00 0.02 0.02) = 0.028% HG3 LYS+ 78 - HB VAL 105 3.030% * 0.0247% (0.12 1.0 1.00 0.02 0.02) = 0.025% HB3 ARG+ 22 - HB VAL 105 3.030% * 0.0201% (0.10 1.0 1.00 0.02 0.02) = 0.020% HG2 LYS+ 110 - HB2 LYS+ 44 3.030% * 0.0192% (0.09 1.0 1.00 0.02 0.02) = 0.019% HG3 LYS+ 110 - HB2 LYS+ 44 3.030% * 0.0173% (0.08 1.0 1.00 0.02 0.02) = 0.017% HB3 MET 97 - HB VAL 105 3.030% * 0.0171% (0.08 1.0 1.00 0.02 0.02) = 0.017% HG2 LYS+ 110 - HB VAL 105 3.030% * 0.0118% (0.06 1.0 1.00 0.02 0.02) = 0.012% HB3 LEU 17 - HB2 LYS+ 44 3.030% * 0.0109% (0.05 1.0 1.00 0.02 0.02) = 0.011% HG3 LYS+ 110 - HB VAL 105 3.030% * 0.0106% (0.05 1.0 1.00 0.02 0.02) = 0.011% HG3 ARG+ 84 - HB VAL 105 3.030% * 0.0095% (0.05 1.0 1.00 0.02 0.02) = 0.010% HB3 LEU 17 - HB VAL 105 3.030% * 0.0067% (0.03 1.0 1.00 0.02 0.02) = 0.007% Peak 1997 (0.92, 2.03, 32.99 ppm): 42 chemical-shift based assignments, quality = 0.19, support = 1.48, residual support = 7.5: O QG2 VAL 105 - HB VAL 105 2.381% * 44.7386% (0.12 10.0 2.18 11.26) = 44.739% kept O QG1 VAL 105 - HB VAL 105 2.381% * 17.7140% (0.10 10.0 1.00 11.26) = 17.714% kept HG LEU 74 - HB3 LYS+ 110 2.381% * 9.7204% (0.58 1.0 0.91 1.01) = 9.720% kept HG LEU 74 - HB2 LYS+ 44 2.381% * 6.5280% (0.24 1.0 1.49 4.29) = 6.528% kept QG2 VAL 87 - HB2 LYS+ 44 2.381% * 4.0850% (0.28 1.0 0.78 0.96) = 4.085% kept QD1 LEU 67 - HB2 LYS+ 44 2.381% * 3.9535% (0.27 1.0 0.80 0.21) = 3.954% kept HG LEU 74 - HB VAL 105 2.381% * 3.2442% (0.13 1.0 1.36 0.63) = 3.244% kept QG2 VAL 73 - HB2 LYS+ 44 2.381% * 2.5057% (0.38 1.0 0.36 0.14) = 2.506% kept QG2 VAL 105 - HB2 LYS+ 44 2.381% * 2.4105% (0.22 1.0 0.59 0.02) = 2.410% kept HG13 ILE 68 - HB2 LYS+ 44 2.381% * 2.1856% (0.30 1.0 0.40 0.73) = 2.186% kept QG2 VAL 73 - HB3 LYS+ 110 2.381% * 0.3413% (0.92 1.0 0.02 0.02) = 0.341% HG13 ILE 68 - HB3 LYS+ 110 2.381% * 0.2703% (0.73 1.0 0.02 0.02) = 0.270% QG2 VAL 87 - HB3 LYS+ 110 2.381% * 0.2568% (0.69 1.0 0.02 0.02) = 0.257% QD1 LEU 67 - HB3 LYS+ 110 2.381% * 0.2429% (0.65 1.0 0.02 0.02) = 0.243% QG1 VAL 47 - HB3 LYS+ 110 2.381% * 0.2145% (0.58 1.0 0.02 0.02) = 0.215% QG2 VAL 105 - HB3 LYS+ 110 2.381% * 0.2002% (0.54 1.0 0.02 0.02) = 0.200% QD1 LEU 17 - HB3 LYS+ 110 2.381% * 0.1721% (0.46 1.0 0.02 0.02) = 0.172% QG1 VAL 105 - HB3 LYS+ 110 2.381% * 0.1586% (0.43 1.0 0.02 0.02) = 0.159% QG1 VAL 47 - HB2 LYS+ 44 2.381% * 0.0877% (0.24 1.0 0.02 0.02) = 0.088% QG1 VAL 80 - HB3 LYS+ 110 2.381% * 0.0787% (0.21 1.0 0.02 0.02) = 0.079% QG2 VAL 73 - HB VAL 105 2.381% * 0.0763% (0.21 1.0 0.02 0.02) = 0.076% QD1 LEU 17 - HB2 LYS+ 44 2.381% * 0.0704% (0.19 1.0 0.02 0.02) = 0.070% HG12 ILE 29 - HB3 LYS+ 110 2.381% * 0.0700% (0.19 1.0 0.02 0.02) = 0.070% QG1 VAL 105 - HB2 LYS+ 44 2.381% * 0.0648% (0.17 1.0 0.02 0.02) = 0.065% QG2 VAL 62 - HB3 LYS+ 110 2.381% * 0.0619% (0.17 1.0 0.02 0.02) = 0.062% HG13 ILE 68 - HB VAL 105 2.381% * 0.0604% (0.16 1.0 0.02 0.02) = 0.060% QG2 VAL 87 - HB VAL 105 2.381% * 0.0574% (0.15 1.0 0.02 0.02) = 0.057% QD1 LEU 67 - HB VAL 105 2.381% * 0.0543% (0.15 1.0 0.02 0.02) = 0.054% QG1 VAL 47 - HB VAL 105 2.381% * 0.0479% (0.13 1.0 0.02 0.02) = 0.048% QG2 ILE 29 - HB3 LYS+ 110 2.381% * 0.0479% (0.13 1.0 0.02 0.02) = 0.048% HG12 ILE 68 - HB3 LYS+ 110 2.381% * 0.0479% (0.13 1.0 0.02 0.02) = 0.048% QD1 LEU 17 - HB VAL 105 2.381% * 0.0385% (0.10 1.0 0.02 0.02) = 0.038% QG1 VAL 80 - HB2 LYS+ 44 2.381% * 0.0322% (0.09 1.0 0.02 0.90) = 0.032% HG12 ILE 29 - HB2 LYS+ 44 2.381% * 0.0286% (0.08 1.0 0.02 0.02) = 0.029% QG2 VAL 62 - HB2 LYS+ 44 2.381% * 0.0253% (0.07 1.0 0.02 1.00) = 0.025% HG12 ILE 68 - HB2 LYS+ 44 2.381% * 0.0196% (0.05 1.0 0.02 0.73) = 0.020% QG2 ILE 29 - HB2 LYS+ 44 2.381% * 0.0196% (0.05 1.0 0.02 0.02) = 0.020% QG1 VAL 80 - HB VAL 105 2.381% * 0.0176% (0.05 1.0 0.02 0.02) = 0.018% HG12 ILE 29 - HB VAL 105 2.381% * 0.0156% (0.04 1.0 0.02 0.02) = 0.016% QG2 VAL 62 - HB VAL 105 2.381% * 0.0138% (0.04 1.0 0.02 0.02) = 0.014% HG12 ILE 68 - HB VAL 105 2.381% * 0.0107% (0.03 1.0 0.02 0.02) = 0.011% QG2 ILE 29 - HB VAL 105 2.381% * 0.0107% (0.03 1.0 0.02 0.02) = 0.011% Peak 1998 (8.07, 1.97, 32.89 ppm): 8 chemical-shift based assignments, quality = 0.41, support = 2.76, residual support = 14.6: O HN VAL 122 - HB VAL 122 12.500% * 66.5569% (0.26 10.0 2.33 17.25) = 66.557% kept HN CYS 121 - HB VAL 122 12.500% * 32.9012% (0.71 1.0 3.65 9.48) = 32.901% kept HN LYS+ 110 - HB VAL 122 12.500% * 0.1801% (0.71 1.0 0.02 0.02) = 0.180% HN MET 118 - HB VAL 122 12.500% * 0.1417% (0.56 1.0 0.02 0.02) = 0.142% HN LYS+ 110 - HB3 LYS+ 55 12.500% * 0.0697% (0.28 1.0 0.02 0.02) = 0.070% HN CYS 121 - HB3 LYS+ 55 12.500% * 0.0697% (0.28 1.0 0.02 0.02) = 0.070% HN MET 118 - HB3 LYS+ 55 12.500% * 0.0549% (0.22 1.0 0.02 0.02) = 0.055% HN VAL 122 - HB3 LYS+ 55 12.500% * 0.0258% (0.10 1.0 0.02 0.02) = 0.026% Peak 1999 (4.67, 2.58, 32.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2000 (4.53, 1.79, 32.73 ppm): 24 chemical-shift based assignments, quality = 0.648, support = 0.0197, residual support = 0.0253: HA LYS+ 78 - HB3 LYS+ 63 4.167% * 8.1523% (0.95 0.02 0.02) = 8.152% kept HA ALA 103 - HB3 LYS+ 63 4.167% * 8.1523% (0.95 0.02 0.02) = 8.152% kept HA LYS+ 78 - HB2 LYS+ 117 4.167% * 7.7916% (0.91 0.02 0.02) = 7.792% kept HA ALA 103 - HB2 LYS+ 117 4.167% * 7.7916% (0.91 0.02 0.02) = 7.792% kept HA LYS+ 78 - HB3 LYS+ 117 4.167% * 7.4861% (0.87 0.02 0.02) = 7.486% kept HA ALA 103 - HB3 LYS+ 117 4.167% * 7.4861% (0.87 0.02 0.02) = 7.486% kept HA LEU 17 - HB3 LYS+ 63 4.167% * 5.1236% (0.60 0.02 0.02) = 5.124% kept HA LEU 17 - HB2 LYS+ 117 4.167% * 4.8969% (0.57 0.02 0.02) = 4.897% kept HA THR 79 - HB3 LYS+ 63 4.167% * 4.7825% (0.56 0.02 0.02) = 4.783% kept HA LEU 17 - HB3 LYS+ 117 4.167% * 4.7049% (0.55 0.02 0.02) = 4.705% kept HA THR 79 - HB2 LYS+ 117 4.167% * 4.5709% (0.53 0.02 0.02) = 4.571% kept HA THR 79 - HB3 LYS+ 117 4.167% * 4.3917% (0.51 0.02 0.02) = 4.392% kept HA LYS+ 78 - HB3 PRO 116 4.167% * 3.3660% (0.39 0.02 0.02) = 3.366% kept HA ALA 103 - HB3 PRO 116 4.167% * 3.3660% (0.39 0.02 0.19) = 3.366% kept HA LEU 17 - HB3 PRO 116 4.167% * 2.1155% (0.25 0.02 0.02) = 2.116% kept HB THR 46 - HB3 LYS+ 63 4.167% * 2.1064% (0.24 0.02 0.02) = 2.106% kept HA LYS+ 55 - HB3 LYS+ 63 4.167% * 2.1064% (0.24 0.02 0.02) = 2.106% kept HA LYS+ 55 - HB2 LYS+ 117 4.167% * 2.0132% (0.23 0.02 0.02) = 2.013% kept HB THR 46 - HB2 LYS+ 117 4.167% * 2.0132% (0.23 0.02 0.02) = 2.013% kept HA THR 79 - HB3 PRO 116 4.167% * 1.9747% (0.23 0.02 0.02) = 1.975% kept HB THR 46 - HB3 LYS+ 117 4.167% * 1.9342% (0.22 0.02 0.02) = 1.934% kept HA LYS+ 55 - HB3 LYS+ 117 4.167% * 1.9342% (0.22 0.02 0.02) = 1.934% kept HB THR 46 - HB3 PRO 116 4.167% * 0.8697% (0.10 0.02 0.02) = 0.870% HA LYS+ 55 - HB3 PRO 116 4.167% * 0.8697% (0.10 0.02 0.02) = 0.870% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2001 (4.00, 1.96, 32.85 ppm): 18 chemical-shift based assignments, quality = 0.569, support = 0.0513, residual support = 0.0195: T HA LYS+ 44 - HB VAL 122 5.556% * 33.9068% (0.73 10.00 0.02 0.02) = 33.907% kept HB THR 39 - HB VAL 122 5.556% * 22.2412% (0.68 1.00 0.14 0.02) = 22.241% kept T HA LYS+ 44 - HB3 LYS+ 55 5.556% * 19.9510% (0.43 10.00 0.02 0.02) = 19.951% kept HB THR 39 - HB3 LYS+ 55 5.556% * 7.8062% (0.40 1.00 0.08 0.02) = 7.806% kept HB3 SER 77 - HB VAL 122 5.556% * 3.0701% (0.66 1.00 0.02 0.02) = 3.070% kept T HA LYS+ 44 - HB2 PRO 116 5.556% * 2.1163% (0.05 10.00 0.02 0.02) = 2.116% kept HB THR 38 - HB VAL 122 5.556% * 1.9407% (0.42 1.00 0.02 0.02) = 1.941% kept HB3 SER 77 - HB3 LYS+ 55 5.556% * 1.8065% (0.39 1.00 0.02 0.02) = 1.806% kept HA1 GLY 92 - HB VAL 122 5.556% * 1.6686% (0.36 1.00 0.02 0.02) = 1.669% kept HB THR 95 - HB VAL 122 5.556% * 1.6686% (0.36 1.00 0.02 0.02) = 1.669% kept HB THR 38 - HB3 LYS+ 55 5.556% * 1.1419% (0.25 1.00 0.02 0.02) = 1.142% kept HB THR 95 - HB3 LYS+ 55 5.556% * 0.9818% (0.21 1.00 0.02 0.02) = 0.982% HA1 GLY 92 - HB3 LYS+ 55 5.556% * 0.9818% (0.21 1.00 0.02 0.02) = 0.982% HB THR 39 - HB2 PRO 116 5.556% * 0.1975% (0.04 1.00 0.02 1.06) = 0.198% HB3 SER 77 - HB2 PRO 116 5.556% * 0.1916% (0.04 1.00 0.02 0.02) = 0.192% HB THR 38 - HB2 PRO 116 5.556% * 0.1211% (0.03 1.00 0.02 0.02) = 0.121% HA1 GLY 92 - HB2 PRO 116 5.556% * 0.1041% (0.02 1.00 0.02 0.02) = 0.104% HB THR 95 - HB2 PRO 116 5.556% * 0.1041% (0.02 1.00 0.02 0.02) = 0.104% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2018 (1.75, 2.03, 32.81 ppm): 20 chemical-shift based assignments, quality = 0.22, support = 0.729, residual support = 0.174: T HB2 ARG+ 84 - HB VAL 62 5.000% * 72.3945% (0.22 10.00 0.92 0.23) = 72.394% kept T HB3 GLU- 18 - HB2 PRO 112 5.000% * 5.7394% (0.06 10.00 0.29 0.02) = 5.739% kept T HB3 GLU- 18 - HB3 PRO 112 5.000% * 5.4868% (0.05 10.00 0.29 0.02) = 5.487% kept T HB2 ARG+ 84 - HB3 LYS+ 110 5.000% * 5.0457% (0.72 10.00 0.02 0.02) = 5.046% kept HB VAL 94 - HB2 PRO 112 5.000% * 2.6367% (0.12 1.00 0.61 0.02) = 2.637% kept HB VAL 94 - HB3 PRO 112 5.000% * 2.5207% (0.12 1.00 0.61 0.02) = 2.521% kept T HB3 GLU- 18 - HB3 LYS+ 110 5.000% * 2.3914% (0.34 10.00 0.02 0.02) = 2.391% kept T HB2 ARG+ 84 - HB2 PRO 112 5.000% * 0.8301% (0.12 10.00 0.02 0.02) = 0.830% T HB2 ARG+ 84 - HB3 PRO 112 5.000% * 0.7936% (0.11 10.00 0.02 0.02) = 0.794% T HB3 GLU- 18 - HB VAL 62 5.000% * 0.7488% (0.11 10.00 0.02 0.02) = 0.749% HB VAL 94 - HB3 LYS+ 110 5.000% * 0.5287% (0.75 1.00 0.02 0.02) = 0.529% HB3 ARG+ 53 - HB3 LYS+ 110 5.000% * 0.2391% (0.34 1.00 0.02 0.02) = 0.239% HB3 GLU- 50 - HB3 LYS+ 110 5.000% * 0.2002% (0.28 1.00 0.02 0.02) = 0.200% HB VAL 94 - HB VAL 62 5.000% * 0.1655% (0.24 1.00 0.02 0.02) = 0.166% HB3 ARG+ 53 - HB VAL 62 5.000% * 0.0749% (0.11 1.00 0.02 0.02) = 0.075% HB3 GLU- 50 - HB VAL 62 5.000% * 0.0627% (0.09 1.00 0.02 0.02) = 0.063% HB3 ARG+ 53 - HB2 PRO 112 5.000% * 0.0393% (0.06 1.00 0.02 0.02) = 0.039% HB3 ARG+ 53 - HB3 PRO 112 5.000% * 0.0376% (0.05 1.00 0.02 0.02) = 0.038% HB3 GLU- 50 - HB2 PRO 112 5.000% * 0.0329% (0.05 1.00 0.02 0.02) = 0.033% HB3 GLU- 50 - HB3 PRO 112 5.000% * 0.0315% (0.04 1.00 0.02 0.02) = 0.031% Peak 2019 (1.61, 2.12, 32.96 ppm): 30 chemical-shift based assignments, quality = 0.206, support = 1.37, residual support = 8.91: O HG2 LYS+ 110 - HB2 LYS+ 110 3.333% * 52.3432% (0.21 10.0 1.50 9.20) = 52.343% kept O HG3 LYS+ 110 - HB2 LYS+ 110 3.333% * 44.5288% (0.21 10.0 1.29 9.20) = 44.529% kept HG12 ILE 101 - HB2 LYS+ 110 3.333% * 1.3460% (0.13 1.0 0.63 0.02) = 1.346% kept HD3 LYS+ 32 - HB2 LYS+ 110 3.333% * 0.7133% (0.17 1.0 0.25 0.02) = 0.713% HG2 LYS+ 110 - HB VAL 87 3.333% * 0.0847% (0.26 1.0 0.02 0.02) = 0.085% HG3 LYS+ 110 - HB VAL 87 3.333% * 0.0838% (0.25 1.0 0.02 0.02) = 0.084% HG3 LYS+ 78 - HB VAL 87 3.333% * 0.0767% (0.23 1.0 0.02 0.02) = 0.077% HB3 LEU 17 - HB VAL 87 3.333% * 0.0767% (0.23 1.0 0.02 0.02) = 0.077% HD3 LYS+ 32 - HB VAL 87 3.333% * 0.0685% (0.21 1.0 0.02 0.02) = 0.068% HG3 LYS+ 78 - HB2 LYS+ 110 3.333% * 0.0631% (0.19 1.0 0.02 0.02) = 0.063% HB3 LEU 17 - HB2 LYS+ 110 3.333% * 0.0631% (0.19 1.0 0.02 0.02) = 0.063% HG12 ILE 101 - HB VAL 87 3.333% * 0.0519% (0.16 1.0 0.02 0.02) = 0.052% HB ILE 100 - HB VAL 87 3.333% * 0.0519% (0.16 1.0 0.02 0.02) = 0.052% HB2 LEU 67 - HB VAL 87 3.333% * 0.0519% (0.16 1.0 0.02 0.02) = 0.052% HG LEU 23 - HB VAL 87 3.333% * 0.0450% (0.14 1.0 0.02 0.02) = 0.045% HB ILE 100 - HB2 LYS+ 110 3.333% * 0.0427% (0.13 1.0 0.02 0.02) = 0.043% HB2 LEU 67 - HB2 LYS+ 110 3.333% * 0.0427% (0.13 1.0 0.02 0.02) = 0.043% HG LEU 23 - HB2 LYS+ 110 3.333% * 0.0370% (0.11 1.0 0.02 0.02) = 0.037% HB3 LYS+ 32 - HB VAL 87 3.333% * 0.0264% (0.08 1.0 0.02 0.02) = 0.026% HG2 LYS+ 110 - HB VAL 125 3.333% * 0.0248% (0.08 1.0 0.02 0.02) = 0.025% HG3 LYS+ 110 - HB VAL 125 3.333% * 0.0246% (0.07 1.0 0.02 0.02) = 0.025% HG3 LYS+ 78 - HB VAL 125 3.333% * 0.0225% (0.07 1.0 0.02 0.02) = 0.022% HB3 LEU 17 - HB VAL 125 3.333% * 0.0225% (0.07 1.0 0.02 0.02) = 0.022% HB3 LYS+ 32 - HB2 LYS+ 110 3.333% * 0.0217% (0.07 1.0 0.02 0.02) = 0.022% HD3 LYS+ 32 - HB VAL 125 3.333% * 0.0201% (0.06 1.0 0.02 0.02) = 0.020% HB2 LEU 67 - HB VAL 125 3.333% * 0.0152% (0.05 1.0 0.02 0.02) = 0.015% HB ILE 100 - HB VAL 125 3.333% * 0.0152% (0.05 1.0 0.02 0.02) = 0.015% HG12 ILE 101 - HB VAL 125 3.333% * 0.0152% (0.05 1.0 0.02 0.02) = 0.015% HG LEU 23 - HB VAL 125 3.333% * 0.0132% (0.04 1.0 0.02 0.02) = 0.013% HB3 LYS+ 32 - HB VAL 125 3.333% * 0.0077% (0.02 1.0 0.02 0.02) = 0.008% Peak 2020 (1.53, 2.03, 32.90 ppm): 40 chemical-shift based assignments, quality = 0.0852, support = 1.11, residual support = 1.73: T HG LEU 74 - HB3 LYS+ 110 2.500% * 48.7153% (0.15 10.00 0.91 1.01) = 48.715% kept T HG LEU 74 - HB2 LYS+ 44 2.500% * 20.1199% (0.04 10.00 1.49 4.29) = 20.120% kept T HG LEU 74 - HB VAL 105 2.500% * 12.6194% (0.03 10.00 1.36 0.63) = 12.619% kept T HG LEU 74 - HB VAL 62 2.500% * 11.4440% (0.02 10.00 1.66 2.56) = 11.444% kept QG2 THR 24 - HB2 LYS+ 44 2.500% * 1.4632% (0.10 1.00 0.39 0.29) = 1.463% kept QG2 THR 24 - HB VAL 105 2.500% * 0.8575% (0.07 1.00 0.33 0.02) = 0.858% QG2 VAL 80 - HB3 LYS+ 110 2.500% * 0.6688% (0.91 1.00 0.02 0.02) = 0.669% HB3 LEU 23 - HB3 LYS+ 110 2.500% * 0.5368% (0.73 1.00 0.02 0.02) = 0.537% HG LEU 43 - HB3 LYS+ 110 2.500% * 0.4336% (0.59 1.00 0.02 0.02) = 0.434% HB2 LYS+ 72 - HB2 LYS+ 44 2.500% * 0.4080% (0.06 1.00 0.19 0.02) = 0.408% QG2 THR 24 - HB3 LYS+ 110 2.500% * 0.3005% (0.41 1.00 0.02 0.02) = 0.301% HG3 LYS+ 72 - HB3 LYS+ 110 2.500% * 0.2287% (0.31 1.00 0.02 0.02) = 0.229% HG13 ILE 29 - HB3 LYS+ 110 2.500% * 0.2287% (0.31 1.00 0.02 0.02) = 0.229% QG2 VAL 80 - HB2 LYS+ 44 2.500% * 0.1682% (0.23 1.00 0.02 0.90) = 0.168% HB3 LEU 90 - HB3 LYS+ 110 2.500% * 0.1671% (0.23 1.00 0.02 0.02) = 0.167% HB2 LYS+ 72 - HB3 LYS+ 110 2.500% * 0.1671% (0.23 1.00 0.02 0.02) = 0.167% HD3 LYS+ 108 - HB2 LYS+ 44 2.500% * 0.1470% (0.04 1.00 0.10 0.02) = 0.147% HB3 LEU 23 - HB2 LYS+ 44 2.500% * 0.1350% (0.18 1.00 0.02 0.12) = 0.135% HD3 LYS+ 108 - HB3 LYS+ 110 2.500% * 0.1174% (0.16 1.00 0.02 0.02) = 0.117% QG2 VAL 80 - HB VAL 105 2.500% * 0.1160% (0.16 1.00 0.02 0.02) = 0.116% HG LEU 43 - HB2 LYS+ 44 2.500% * 0.1091% (0.15 1.00 0.02 6.50) = 0.109% HB3 LEU 23 - HB VAL 105 2.500% * 0.0931% (0.13 1.00 0.02 0.02) = 0.093% QG2 VAL 80 - HB VAL 62 2.500% * 0.0858% (0.12 1.00 0.02 0.52) = 0.086% HG LEU 43 - HB VAL 105 2.500% * 0.0752% (0.10 1.00 0.02 0.02) = 0.075% HB3 LEU 23 - HB VAL 62 2.500% * 0.0689% (0.09 1.00 0.02 0.02) = 0.069% HG13 ILE 29 - HB2 LYS+ 44 2.500% * 0.0575% (0.08 1.00 0.02 0.02) = 0.058% HG3 LYS+ 72 - HB2 LYS+ 44 2.500% * 0.0575% (0.08 1.00 0.02 0.02) = 0.058% HG LEU 43 - HB VAL 62 2.500% * 0.0556% (0.08 1.00 0.02 0.62) = 0.056% HB3 LEU 90 - HB2 LYS+ 44 2.500% * 0.0420% (0.06 1.00 0.02 0.02) = 0.042% HG3 LYS+ 72 - HB VAL 105 2.500% * 0.0397% (0.05 1.00 0.02 0.02) = 0.040% HG13 ILE 29 - HB VAL 105 2.500% * 0.0397% (0.05 1.00 0.02 0.02) = 0.040% QG2 THR 24 - HB VAL 62 2.500% * 0.0386% (0.05 1.00 0.02 0.02) = 0.039% HG3 LYS+ 72 - HB VAL 62 2.500% * 0.0293% (0.04 1.00 0.02 1.73) = 0.029% HG13 ILE 29 - HB VAL 62 2.500% * 0.0293% (0.04 1.00 0.02 0.02) = 0.029% HB3 LEU 90 - HB VAL 105 2.500% * 0.0290% (0.04 1.00 0.02 0.02) = 0.029% HB2 LYS+ 72 - HB VAL 105 2.500% * 0.0290% (0.04 1.00 0.02 0.02) = 0.029% HB3 LEU 90 - HB VAL 62 2.500% * 0.0214% (0.03 1.00 0.02 0.02) = 0.021% HB2 LYS+ 72 - HB VAL 62 2.500% * 0.0214% (0.03 1.00 0.02 1.73) = 0.021% HD3 LYS+ 108 - HB VAL 105 2.500% * 0.0204% (0.03 1.00 0.02 0.02) = 0.020% HD3 LYS+ 108 - HB VAL 62 2.500% * 0.0151% (0.02 1.00 0.02 0.02) = 0.015% Not enough quality. Peak unassigned. Peak 2021 (1.45, 1.80, 32.89 ppm): 48 chemical-shift based assignments, quality = 0.171, support = 0.934, residual support = 5.21: O HD3 LYS+ 44 - HB3 LYS+ 44 2.083% * 22.6081% (0.06 10.0 1.00 1.00 10.92) = 22.608% kept HB3 LYS+ 60 - HB2 PRO 59 2.083% * 11.1342% (0.19 1.0 1.00 1.45 12.16) = 11.134% kept HG LEU 74 - HB3 LYS+ 63 2.083% * 11.0548% (0.17 1.0 1.00 1.63 1.82) = 11.055% kept HB3 LYS+ 60 - HB3 LYS+ 63 2.083% * 8.6512% (0.43 1.0 1.00 0.51 0.41) = 8.651% kept HB3 LYS+ 60 - HB3 PRO 59 2.083% * 7.4028% (0.13 1.0 1.00 1.47 12.16) = 7.403% kept HG3 LYS+ 108 - HB3 LYS+ 117 2.083% * 5.9278% (0.17 1.0 1.00 0.89 0.39) = 5.928% kept HG3 LYS+ 55 - HB3 LYS+ 63 2.083% * 5.8326% (0.30 1.0 1.00 0.48 0.02) = 5.833% kept HG3 LYS+ 108 - HB2 LYS+ 117 2.083% * 5.7814% (0.16 1.0 1.00 0.89 0.39) = 5.781% kept HG LEU 74 - HB3 LYS+ 44 2.083% * 4.2901% (0.07 1.0 1.00 1.49 4.29) = 4.290% kept HB3 LYS+ 60 - HB3 LYS+ 117 2.083% * 2.5574% (0.53 1.0 1.00 0.12 0.29) = 2.557% kept HB3 LYS+ 60 - HB2 LYS+ 117 2.083% * 2.4730% (0.52 1.0 1.00 0.12 0.29) = 2.473% kept HB3 LEU 67 - HB3 LYS+ 44 2.083% * 1.8708% (0.08 1.0 1.00 0.55 0.21) = 1.871% kept T HG LEU 90 - HB2 PRO 59 2.083% * 1.6589% (0.21 1.0 10.00 0.02 0.02) = 1.659% kept T HG LEU 90 - HB3 PRO 59 2.083% * 1.0913% (0.14 1.0 10.00 0.02 0.02) = 1.091% kept HG LEU 74 - HB3 LYS+ 117 2.083% * 0.6741% (0.21 1.0 1.00 0.08 0.02) = 0.674% HG LEU 74 - HB2 LYS+ 117 2.083% * 0.6575% (0.21 1.0 1.00 0.08 0.02) = 0.657% T HG LEU 74 - HB2 PRO 59 2.083% * 0.6066% (0.08 1.0 10.00 0.02 0.02) = 0.607% HB3 LYS+ 60 - HB3 LYS+ 44 2.083% * 0.6042% (0.18 1.0 1.00 0.08 0.02) = 0.604% HG LEU 90 - HB3 LYS+ 117 2.083% * 0.4640% (0.58 1.0 1.00 0.02 1.26) = 0.464% HG LEU 90 - HB2 LYS+ 117 2.083% * 0.4526% (0.56 1.0 1.00 0.02 1.26) = 0.453% T HG LEU 74 - HB3 PRO 59 2.083% * 0.3991% (0.05 1.0 10.00 0.02 0.02) = 0.399% HG LEU 90 - HB3 LYS+ 63 2.083% * 0.3708% (0.46 1.0 1.00 0.02 0.02) = 0.371% HG3 LYS+ 55 - HB3 LYS+ 117 2.083% * 0.3029% (0.38 1.0 1.00 0.02 0.02) = 0.303% HG3 LYS+ 55 - HB2 LYS+ 117 2.083% * 0.2954% (0.37 1.0 1.00 0.02 0.02) = 0.295% HD3 LYS+ 113 - HB3 LYS+ 117 2.083% * 0.2815% (0.35 1.0 1.00 0.02 0.02) = 0.281% HD3 LYS+ 113 - HB2 LYS+ 117 2.083% * 0.2745% (0.34 1.0 1.00 0.02 0.02) = 0.275% HD3 LYS+ 113 - HB3 LYS+ 63 2.083% * 0.2249% (0.28 1.0 1.00 0.02 0.02) = 0.225% HB3 LEU 67 - HB3 LYS+ 117 2.083% * 0.2008% (0.25 1.0 1.00 0.02 0.02) = 0.201% HB3 LEU 67 - HB2 LYS+ 117 2.083% * 0.1958% (0.24 1.0 1.00 0.02 0.02) = 0.196% HB3 LEU 67 - HB3 LYS+ 63 2.083% * 0.1604% (0.20 1.0 1.00 0.02 0.02) = 0.160% HG LEU 90 - HB3 LYS+ 44 2.083% * 0.1573% (0.20 1.0 1.00 0.02 0.02) = 0.157% HD3 LYS+ 44 - HB3 LYS+ 117 2.083% * 0.1334% (0.17 1.0 1.00 0.02 0.02) = 0.133% HD3 LYS+ 44 - HB2 LYS+ 117 2.083% * 0.1301% (0.16 1.0 1.00 0.02 0.02) = 0.130% HG3 LYS+ 55 - HB2 PRO 59 2.083% * 0.1083% (0.13 1.0 1.00 0.02 0.02) = 0.108% HD3 LYS+ 44 - HB3 LYS+ 63 2.083% * 0.1066% (0.13 1.0 1.00 0.02 0.02) = 0.107% HG3 LYS+ 108 - HB3 LYS+ 63 2.083% * 0.1066% (0.13 1.0 1.00 0.02 0.02) = 0.107% HG3 LYS+ 55 - HB3 LYS+ 44 2.083% * 0.1027% (0.13 1.0 1.00 0.02 0.02) = 0.103% HD3 LYS+ 113 - HB2 PRO 59 2.083% * 0.1006% (0.13 1.0 1.00 0.02 0.02) = 0.101% HD3 LYS+ 113 - HB3 LYS+ 44 2.083% * 0.0954% (0.12 1.0 1.00 0.02 0.02) = 0.095% HB3 LEU 67 - HB2 PRO 59 2.083% * 0.0718% (0.09 1.0 1.00 0.02 0.02) = 0.072% HG3 LYS+ 55 - HB3 PRO 59 2.083% * 0.0712% (0.09 1.0 1.00 0.02 0.02) = 0.071% HD3 LYS+ 113 - HB3 PRO 59 2.083% * 0.0662% (0.08 1.0 1.00 0.02 0.02) = 0.066% HD3 LYS+ 44 - HB2 PRO 59 2.083% * 0.0477% (0.06 1.0 1.00 0.02 0.02) = 0.048% HG3 LYS+ 108 - HB2 PRO 59 2.083% * 0.0477% (0.06 1.0 1.00 0.02 0.02) = 0.048% HB3 LEU 67 - HB3 PRO 59 2.083% * 0.0472% (0.06 1.0 1.00 0.02 0.02) = 0.047% HG3 LYS+ 108 - HB3 LYS+ 44 2.083% * 0.0452% (0.06 1.0 1.00 0.02 0.02) = 0.045% HG3 LYS+ 108 - HB3 PRO 59 2.083% * 0.0314% (0.04 1.0 1.00 0.02 0.02) = 0.031% HD3 LYS+ 44 - HB3 PRO 59 2.083% * 0.0314% (0.04 1.0 1.00 0.02 0.02) = 0.031% Peak 2022 (1.43, 2.03, 32.92 ppm): 30 chemical-shift based assignments, quality = 0.213, support = 1.05, residual support = 3.92: T HG LEU 74 - HB3 LYS+ 110 3.333% * 45.3407% (0.34 1.0 10.00 0.91 1.01) = 45.341% kept O HD3 LYS+ 44 - HB2 LYS+ 44 3.333% * 24.0612% (0.16 10.0 1.00 1.00 10.92) = 24.061% kept T HG LEU 74 - HB2 LYS+ 44 3.333% * 18.0406% (0.08 1.0 10.00 1.49 4.29) = 18.041% kept T HG LEU 74 - HB VAL 105 3.333% * 9.4560% (0.05 1.0 10.00 1.36 0.63) = 9.456% kept QG2 THR 38 - HB2 LYS+ 44 3.333% * 0.7639% (0.07 1.0 1.00 0.78 0.65) = 0.764% HB3 LYS+ 60 - HB3 LYS+ 110 3.333% * 0.2866% (0.98 1.0 1.00 0.02 0.02) = 0.287% HG LEU 90 - HB3 LYS+ 110 3.333% * 0.2790% (0.95 1.0 1.00 0.02 0.02) = 0.279% HG3 LYS+ 55 - HB3 LYS+ 110 3.333% * 0.2790% (0.95 1.0 1.00 0.02 0.02) = 0.279% HD3 LYS+ 113 - HB3 LYS+ 110 3.333% * 0.2735% (0.93 1.0 1.00 0.02 0.02) = 0.273% HD3 LYS+ 44 - HB3 LYS+ 110 3.333% * 0.1986% (0.68 1.0 1.00 0.02 0.02) = 0.199% HG3 LYS+ 108 - HB3 LYS+ 110 3.333% * 0.1986% (0.68 1.0 1.00 0.02 0.02) = 0.199% QG2 THR 38 - HB3 LYS+ 110 3.333% * 0.0804% (0.27 1.0 1.00 0.02 0.02) = 0.080% QB ALA 37 - HB3 LYS+ 110 3.333% * 0.0804% (0.27 1.0 1.00 0.02 0.02) = 0.080% HB3 LYS+ 60 - HB2 LYS+ 44 3.333% * 0.0694% (0.24 1.0 1.00 0.02 0.02) = 0.069% HG3 LYS+ 55 - HB2 LYS+ 44 3.333% * 0.0676% (0.23 1.0 1.00 0.02 0.02) = 0.068% HG LEU 90 - HB2 LYS+ 44 3.333% * 0.0676% (0.23 1.0 1.00 0.02 0.02) = 0.068% HD3 LYS+ 113 - HB2 LYS+ 44 3.333% * 0.0663% (0.23 1.0 1.00 0.02 0.02) = 0.066% QB ALA 42 - HB3 LYS+ 110 3.333% * 0.0644% (0.22 1.0 1.00 0.02 0.02) = 0.064% HG3 LYS+ 108 - HB2 LYS+ 44 3.333% * 0.0481% (0.16 1.0 1.00 0.02 0.02) = 0.048% HB3 LYS+ 60 - HB VAL 105 3.333% * 0.0400% (0.14 1.0 1.00 0.02 0.14) = 0.040% HG3 LYS+ 55 - HB VAL 105 3.333% * 0.0390% (0.13 1.0 1.00 0.02 0.02) = 0.039% HG LEU 90 - HB VAL 105 3.333% * 0.0390% (0.13 1.0 1.00 0.02 0.02) = 0.039% HD3 LYS+ 113 - HB VAL 105 3.333% * 0.0382% (0.13 1.0 1.00 0.02 0.02) = 0.038% HG3 LYS+ 108 - HB VAL 105 3.333% * 0.0277% (0.09 1.0 1.00 0.02 0.02) = 0.028% HD3 LYS+ 44 - HB VAL 105 3.333% * 0.0277% (0.09 1.0 1.00 0.02 0.02) = 0.028% QB ALA 37 - HB2 LYS+ 44 3.333% * 0.0195% (0.07 1.0 1.00 0.02 0.14) = 0.019% QB ALA 42 - HB2 LYS+ 44 3.333% * 0.0156% (0.05 1.0 1.00 0.02 0.02) = 0.016% QG2 THR 38 - HB VAL 105 3.333% * 0.0112% (0.04 1.0 1.00 0.02 0.02) = 0.011% QB ALA 37 - HB VAL 105 3.333% * 0.0112% (0.04 1.0 1.00 0.02 0.02) = 0.011% QB ALA 42 - HB VAL 105 3.333% * 0.0090% (0.03 1.0 1.00 0.02 0.02) = 0.009% Peak 2023 (1.25, 2.11, 32.95 ppm): 6 chemical-shift based assignments, quality = 0.276, support = 0.884, residual support = 1.55: HG LEU 74 - HB VAL 125 16.667% * 44.5780% (0.13 1.55 2.58) = 44.578% kept HG LEU 74 - HB2 LYS+ 110 16.667% * 39.4482% (0.41 0.42 1.01) = 39.448% kept HG LEU 74 - HB VAL 87 16.667% * 14.4497% (0.39 0.16 0.02) = 14.450% kept HG2 LYS+ 32 - HB2 LYS+ 110 16.667% * 0.6742% (0.15 0.02 0.02) = 0.674% HG2 LYS+ 32 - HB VAL 87 16.667% * 0.6421% (0.14 0.02 0.02) = 0.642% HG2 LYS+ 32 - HB VAL 125 16.667% * 0.2077% (0.05 0.02 0.02) = 0.208% Peak 2026 (0.84, 1.97, 32.87 ppm): 36 chemical-shift based assignments, quality = 0.182, support = 0.887, residual support = 1.65: HG LEU 74 - HB VAL 122 2.778% * 24.0172% (0.27 1.00 1.00 5.46) = 24.017% kept QG1 VAL 94 - HB VAL 122 2.778% * 23.8504% (0.36 1.00 0.75 0.16) = 23.850% kept T QG1 VAL 94 - HB VAL 105 2.778% * 19.2012% (0.02 10.00 1.06 0.94) = 19.201% kept T HG LEU 74 - HB VAL 105 2.778% * 18.4840% (0.02 10.00 1.36 0.63) = 18.484% kept HG LEU 74 - HB3 LYS+ 55 2.778% * 2.6654% (0.11 1.00 0.28 0.02) = 2.665% kept QD2 LEU 17 - HB3 LYS+ 55 2.778% * 1.9751% (0.08 1.00 0.26 0.02) = 1.975% kept HG2 LYS+ 117 - HB VAL 122 2.778% * 1.1435% (0.65 1.00 0.02 0.02) = 1.144% kept QD1 ILE 29 - HB VAL 122 2.778% * 1.0841% (0.61 1.00 0.02 0.02) = 1.084% kept HG3 LYS+ 117 - HB VAL 122 2.778% * 1.0097% (0.57 1.00 0.02 0.02) = 1.010% kept HB ILE 101 - HB VAL 122 2.778% * 0.8304% (0.47 1.00 0.02 0.02) = 0.830% HG2 LYS+ 113 - HB VAL 122 2.778% * 0.7332% (0.41 1.00 0.02 0.02) = 0.733% HG3 LYS+ 113 - HB VAL 122 2.778% * 0.4970% (0.28 1.00 0.02 0.02) = 0.497% HG2 LYS+ 117 - HB3 LYS+ 55 2.778% * 0.4599% (0.26 1.00 0.02 0.02) = 0.460% QD1 ILE 29 - HB3 LYS+ 55 2.778% * 0.4360% (0.25 1.00 0.02 0.02) = 0.436% HG3 LYS+ 117 - HB3 LYS+ 55 2.778% * 0.4061% (0.23 1.00 0.02 0.02) = 0.406% QD1 LEU 90 - HB VAL 122 2.778% * 0.3731% (0.21 1.00 0.02 0.02) = 0.373% QD2 LEU 17 - HB VAL 122 2.778% * 0.3731% (0.21 1.00 0.02 0.02) = 0.373% QG2 ILE 100 - HB VAL 122 2.778% * 0.3361% (0.19 1.00 0.02 0.02) = 0.336% HB ILE 101 - HB3 LYS+ 55 2.778% * 0.3340% (0.19 1.00 0.02 0.02) = 0.334% HG2 LYS+ 113 - HB3 LYS+ 55 2.778% * 0.2949% (0.17 1.00 0.02 0.02) = 0.295% QD2 LEU 90 - HB VAL 122 2.778% * 0.2691% (0.15 1.00 0.02 0.02) = 0.269% QG1 VAL 94 - HB3 LYS+ 55 2.778% * 0.2558% (0.14 1.00 0.02 0.02) = 0.256% HG3 LYS+ 113 - HB3 LYS+ 55 2.778% * 0.1999% (0.11 1.00 0.02 0.02) = 0.200% QD1 LEU 90 - HB3 LYS+ 55 2.778% * 0.1501% (0.08 1.00 0.02 0.02) = 0.150% QG2 ILE 100 - HB3 LYS+ 55 2.778% * 0.1352% (0.08 1.00 0.02 0.02) = 0.135% QD2 LEU 90 - HB3 LYS+ 55 2.778% * 0.1082% (0.06 1.00 0.02 0.02) = 0.108% HG2 LYS+ 117 - HB VAL 105 2.778% * 0.0649% (0.04 1.00 0.02 0.02) = 0.065% QD1 ILE 29 - HB VAL 105 2.778% * 0.0615% (0.03 1.00 0.02 0.02) = 0.061% HG3 LYS+ 117 - HB VAL 105 2.778% * 0.0573% (0.03 1.00 0.02 0.02) = 0.057% HB ILE 101 - HB VAL 105 2.778% * 0.0471% (0.03 1.00 0.02 0.02) = 0.047% HG2 LYS+ 113 - HB VAL 105 2.778% * 0.0416% (0.02 1.00 0.02 0.02) = 0.042% HG3 LYS+ 113 - HB VAL 105 2.778% * 0.0282% (0.02 1.00 0.02 0.02) = 0.028% QD2 LEU 17 - HB VAL 105 2.778% * 0.0212% (0.01 1.00 0.02 0.02) = 0.021% QD1 LEU 90 - HB VAL 105 2.778% * 0.0212% (0.01 1.00 0.02 0.02) = 0.021% QG2 ILE 100 - HB VAL 105 2.778% * 0.0191% (0.01 1.00 0.02 0.02) = 0.019% QD2 LEU 90 - HB VAL 105 2.778% * 0.0153% (0.01 1.00 0.02 0.02) = 0.015% Not enough quality. Peak unassigned. Peak 2028 (7.81, 2.13, 32.54 ppm): 5 chemical-shift based assignments, quality = 0.0463, support = 2.55, residual support = 13.9: O HN VAL 87 - HB VAL 87 20.000% * 98.9749% (0.05 10.0 2.57 14.06) = 98.975% kept HN THR 46 - HB VAL 87 20.000% * 0.4188% (0.04 1.0 0.09 0.02) = 0.419% HN LYS+ 55 - HB VAL 87 20.000% * 0.2614% (0.12 1.0 0.02 0.02) = 0.261% HN ALA 93 - HB VAL 87 20.000% * 0.2365% (0.11 1.0 0.02 0.02) = 0.237% HN LYS+ 63 - HB VAL 87 20.000% * 0.1084% (0.05 1.0 0.02 0.02) = 0.108% Peak 2029 (7.82, 1.95, 32.67 ppm): 16 chemical-shift based assignments, quality = 0.836, support = 4.07, residual support = 17.0: O HN LYS+ 55 - HB3 LYS+ 55 6.250% * 97.2423% (0.84 10.0 4.17 17.46) = 97.242% kept HN LYS+ 63 - HB3 LYS+ 55 6.250% * 2.4868% (0.72 1.0 0.60 0.02) = 2.487% kept HN ALA 93 - HB3 LYS+ 55 6.250% * 0.0614% (0.53 1.0 0.02 0.02) = 0.061% HN LYS+ 55 - HB2 PRO 116 6.250% * 0.0353% (0.31 1.0 0.02 0.02) = 0.035% HN LYS+ 63 - HB2 PRO 116 6.250% * 0.0301% (0.26 1.0 0.02 0.02) = 0.030% HN LYS+ 55 - HB VAL 122 6.250% * 0.0264% (0.23 1.0 0.02 0.02) = 0.026% HN LYS+ 63 - HB VAL 122 6.250% * 0.0225% (0.19 1.0 0.02 0.02) = 0.022% HN ALA 93 - HB2 PRO 116 6.250% * 0.0223% (0.19 1.0 0.02 0.02) = 0.022% HN ALA 93 - HB VAL 122 6.250% * 0.0167% (0.14 1.0 0.02 0.02) = 0.017% HN VAL 87 - HB3 LYS+ 55 6.250% * 0.0147% (0.13 1.0 0.02 0.02) = 0.015% HN LYS+ 55 - HB3 PRO 35 6.250% * 0.0123% (0.11 1.0 0.02 0.02) = 0.012% HN LYS+ 63 - HB3 PRO 35 6.250% * 0.0105% (0.09 1.0 0.02 0.02) = 0.010% HN ALA 93 - HB3 PRO 35 6.250% * 0.0078% (0.07 1.0 0.02 0.02) = 0.008% HN VAL 87 - HB2 PRO 116 6.250% * 0.0053% (0.05 1.0 0.02 0.02) = 0.005% HN VAL 87 - HB VAL 122 6.250% * 0.0040% (0.03 1.0 0.02 0.02) = 0.004% HN VAL 87 - HB3 PRO 35 6.250% * 0.0019% (0.02 1.0 0.02 0.02) = 0.002% Peak 2030 (7.84, 1.79, 32.50 ppm): 12 chemical-shift based assignments, quality = 0.517, support = 3.48, residual support = 16.2: O HN LYS+ 63 - HB3 LYS+ 63 8.333% * 92.2120% (0.53 10.0 3.70 17.59) = 92.212% kept HN LYS+ 63 - HB2 LYS+ 117 8.333% * 3.6051% (0.45 1.0 0.91 0.02) = 3.605% kept HN LYS+ 63 - HB3 LYS+ 117 8.333% * 3.4766% (0.43 1.0 0.92 0.02) = 3.477% kept HN LYS+ 63 - HB3 PRO 116 8.333% * 0.5331% (0.81 1.0 0.08 0.02) = 0.533% HN LYS+ 55 - HB3 PRO 116 8.333% * 0.0334% (0.19 1.0 0.02 0.02) = 0.033% HN THR 38 - HB3 PRO 116 8.333% * 0.0296% (0.17 1.0 0.02 0.02) = 0.030% HN LYS+ 55 - HB3 LYS+ 63 8.333% * 0.0218% (0.12 1.0 0.02 0.02) = 0.022% HN THR 38 - HB3 LYS+ 63 8.333% * 0.0193% (0.11 1.0 0.02 0.02) = 0.019% HN LYS+ 55 - HB2 LYS+ 117 8.333% * 0.0187% (0.11 1.0 0.02 0.02) = 0.019% HN LYS+ 55 - HB3 LYS+ 117 8.333% * 0.0179% (0.10 1.0 0.02 0.02) = 0.018% HN THR 38 - HB2 LYS+ 117 8.333% * 0.0165% (0.09 1.0 0.02 0.02) = 0.017% HN THR 38 - HB3 LYS+ 117 8.333% * 0.0159% (0.09 1.0 0.02 0.02) = 0.016% Peak 2031 (4.16, 2.13, 32.58 ppm): 5 chemical-shift based assignments, quality = 0.0643, support = 1.17, residual support = 7.67: HB2 SER 88 - HB VAL 87 20.000% * 59.2405% (0.06 1.49 12.42) = 59.240% kept HA LYS+ 44 - HB VAL 87 20.000% * 31.9914% (0.06 0.86 0.96) = 31.991% kept HA VAL 73 - HB VAL 87 20.000% * 7.8013% (0.11 0.12 0.02) = 7.801% kept HA MET 126 - HB VAL 87 20.000% * 0.5369% (0.04 0.02 0.02) = 0.537% HA2 GLY 71 - HB VAL 87 20.000% * 0.4299% (0.03 0.02 0.02) = 0.430% Peak 2032 (4.09, 1.79, 32.47 ppm): 36 chemical-shift based assignments, quality = 0.294, support = 1.56, residual support = 13.2: O T HA LYS+ 63 - HB3 LYS+ 63 2.778% * 74.7192% (0.31 10.0 10.00 2.00 17.59) = 74.719% kept T HA LYS+ 63 - HB2 LYS+ 117 2.778% * 10.6535% (0.27 1.0 10.00 0.33 0.02) = 10.654% kept T HA LYS+ 63 - HB3 LYS+ 117 2.778% * 10.4530% (0.26 1.0 10.00 0.33 0.02) = 10.453% kept T HA LYS+ 63 - HB3 PRO 116 2.778% * 1.3060% (0.54 1.0 10.00 0.02 0.02) = 1.306% kept T HA ARG+ 53 - HB3 PRO 116 2.778% * 0.3559% (0.15 1.0 10.00 0.02 0.02) = 0.356% HA ALA 70 - HB3 PRO 116 2.778% * 0.2226% (0.92 1.0 1.00 0.02 0.02) = 0.223% T HA ARG+ 53 - HB3 LYS+ 63 2.778% * 0.2036% (0.08 1.0 10.00 0.02 0.02) = 0.204% T HA ARG+ 53 - HB2 LYS+ 117 2.778% * 0.1781% (0.07 1.0 10.00 0.02 0.02) = 0.178% T HA ARG+ 53 - HB3 LYS+ 117 2.778% * 0.1737% (0.07 1.0 10.00 0.02 0.02) = 0.174% HA LYS+ 44 - HB3 PRO 116 2.778% * 0.1642% (0.68 1.0 1.00 0.02 0.02) = 0.164% HA VAL 105 - HB3 PRO 116 2.778% * 0.1585% (0.65 1.0 1.00 0.02 0.02) = 0.158% HA ALA 70 - HB3 LYS+ 63 2.778% * 0.1274% (0.53 1.0 1.00 0.02 0.02) = 0.127% HA ALA 70 - HB2 LYS+ 117 2.778% * 0.1114% (0.46 1.0 1.00 0.02 0.02) = 0.111% HA ALA 70 - HB3 LYS+ 117 2.778% * 0.1087% (0.45 1.0 1.00 0.02 0.02) = 0.109% HA THR 46 - HB3 PRO 116 2.778% * 0.0948% (0.39 1.0 1.00 0.02 0.02) = 0.095% HA LYS+ 44 - HB3 LYS+ 63 2.778% * 0.0939% (0.39 1.0 1.00 0.02 0.02) = 0.094% HA VAL 105 - HB3 LYS+ 63 2.778% * 0.0907% (0.37 1.0 1.00 0.02 0.02) = 0.091% HA LYS+ 44 - HB2 LYS+ 117 2.778% * 0.0822% (0.34 1.0 1.00 0.02 0.02) = 0.082% HA LYS+ 44 - HB3 LYS+ 117 2.778% * 0.0801% (0.33 1.0 1.00 0.02 0.02) = 0.080% HA VAL 105 - HB2 LYS+ 117 2.778% * 0.0793% (0.33 1.0 1.00 0.02 0.02) = 0.079% HA VAL 105 - HB3 LYS+ 117 2.778% * 0.0773% (0.32 1.0 1.00 0.02 0.02) = 0.077% HA THR 46 - HB3 LYS+ 63 2.778% * 0.0543% (0.22 1.0 1.00 0.02 0.02) = 0.054% HB THR 106 - HB3 PRO 116 2.778% * 0.0514% (0.21 1.0 1.00 0.02 0.23) = 0.051% HA THR 46 - HB2 LYS+ 117 2.778% * 0.0475% (0.20 1.0 1.00 0.02 0.02) = 0.047% HA THR 46 - HB3 LYS+ 117 2.778% * 0.0463% (0.19 1.0 1.00 0.02 0.02) = 0.046% HB2 SER 49 - HB3 PRO 116 2.778% * 0.0404% (0.17 1.0 1.00 0.02 0.02) = 0.040% HB3 SER 77 - HB3 PRO 116 2.778% * 0.0323% (0.13 1.0 1.00 0.02 0.02) = 0.032% HB THR 106 - HB3 LYS+ 63 2.778% * 0.0294% (0.12 1.0 1.00 0.02 0.02) = 0.029% HB THR 106 - HB2 LYS+ 117 2.778% * 0.0257% (0.11 1.0 1.00 0.02 0.02) = 0.026% HB THR 106 - HB3 LYS+ 117 2.778% * 0.0251% (0.10 1.0 1.00 0.02 0.02) = 0.025% HB2 SER 49 - HB3 LYS+ 63 2.778% * 0.0231% (0.10 1.0 1.00 0.02 0.02) = 0.023% HB2 SER 49 - HB2 LYS+ 117 2.778% * 0.0202% (0.08 1.0 1.00 0.02 0.02) = 0.020% HB2 SER 49 - HB3 LYS+ 117 2.778% * 0.0197% (0.08 1.0 1.00 0.02 0.02) = 0.020% HB3 SER 77 - HB3 LYS+ 63 2.778% * 0.0185% (0.08 1.0 1.00 0.02 0.02) = 0.018% HB3 SER 77 - HB2 LYS+ 117 2.778% * 0.0162% (0.07 1.0 1.00 0.02 0.02) = 0.016% HB3 SER 77 - HB3 LYS+ 117 2.778% * 0.0158% (0.07 1.0 1.00 0.02 0.02) = 0.016% Peak 2033 (3.62, 1.89, 32.34 ppm): 2 chemical-shift based assignments, quality = 0.161, support = 1.69, residual support = 5.91: HD2 PRO 112 - HB2 PRO 104 50.000% * 50.5448% (0.17 1.66 4.76) = 50.545% kept HA ILE 48 - HB2 PRO 104 50.000% * 49.4552% (0.16 1.72 7.08) = 49.455% kept Peak 2034 (2.52, 2.11, 32.58 ppm): 8 chemical-shift based assignments, quality = 0.591, support = 0.547, residual support = 0.419: HB2 ASP- 36 - HB VAL 87 12.500% * 52.7729% (0.62 0.58 0.63) = 52.773% kept HA1 GLY 58 - HB VAL 87 12.500% * 44.7579% (0.58 0.53 0.19) = 44.758% kept HB2 ASP- 115 - HB VAL 87 12.500% * 1.1061% (0.38 0.02 0.38) = 1.106% kept HB2 ASP- 36 - HB2 LYS+ 110 12.500% * 0.3842% (0.13 0.02 0.02) = 0.384% HA1 GLY 58 - HB2 LYS+ 110 12.500% * 0.3564% (0.12 0.02 0.02) = 0.356% HB3 LYS+ 81 - HB VAL 87 12.500% * 0.3194% (0.11 0.02 0.02) = 0.319% HB2 ASP- 115 - HB2 LYS+ 110 12.500% * 0.2351% (0.08 0.02 0.02) = 0.235% HB3 LYS+ 81 - HB2 LYS+ 110 12.500% * 0.0679% (0.02 0.02 0.02) = 0.068% Peak 2035 (2.51, 2.01, 32.43 ppm): 15 chemical-shift based assignments, quality = 0.704, support = 0.459, residual support = 0.0923: HA1 GLY 58 - HB3 PRO 112 6.667% * 42.0142% (0.85 0.70 0.12) = 42.014% kept HA1 GLY 58 - HB2 PRO 112 6.667% * 16.0078% (0.81 0.28 0.12) = 16.008% kept HB2 ASP- 36 - HB3 PRO 112 6.667% * 15.6514% (0.64 0.34 0.02) = 15.651% kept HB2 ASP- 36 - HB2 PRO 112 6.667% * 15.1888% (0.62 0.35 0.02) = 15.189% kept HA1 GLY 58 - HB VAL 62 6.667% * 3.6975% (0.23 0.22 0.40) = 3.698% kept HG3 PRO 35 - HB3 PRO 112 6.667% * 2.4825% (0.32 0.11 0.02) = 2.483% kept HG3 PRO 35 - HB2 PRO 112 6.667% * 2.3614% (0.31 0.11 0.02) = 2.361% kept HB3 LYS+ 81 - HB3 PRO 112 6.667% * 0.6972% (0.49 0.02 0.02) = 0.697% HB3 LYS+ 81 - HB2 PRO 112 6.667% * 0.6699% (0.47 0.02 0.02) = 0.670% HB2 ASP- 115 - HB3 PRO 112 6.667% * 0.2950% (0.21 0.02 0.02) = 0.295% HB2 ASP- 115 - HB2 PRO 112 6.667% * 0.2835% (0.20 0.02 0.02) = 0.283% HB2 ASP- 36 - HB VAL 62 6.667% * 0.2516% (0.18 0.02 0.02) = 0.252% HB3 LYS+ 81 - HB VAL 62 6.667% * 0.1927% (0.14 0.02 0.45) = 0.193% HG3 PRO 35 - HB VAL 62 6.667% * 0.1249% (0.09 0.02 0.02) = 0.125% HB2 ASP- 115 - HB VAL 62 6.667% * 0.0815% (0.06 0.02 0.02) = 0.082% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 2039 (2.29, 2.29, 32.33 ppm): 2 diagonal assignments: HB2 PRO 86 - HB2 PRO 86 (0.93) kept HB3 PRO 86 - HB3 PRO 86 (0.20) kept Peak 2041 (2.28, 1.89, 32.29 ppm): 4 chemical-shift based assignments, quality = 0.0834, support = 1.37, residual support = 2.68: T HA1 GLY 58 - HB2 PRO 104 25.000% * 99.7178% (0.08 10.00 1.37 2.69) = 99.718% kept HB2 PRO 86 - HB2 PRO 104 25.000% * 0.1514% (0.09 1.00 0.02 0.02) = 0.151% HB VAL 80 - HB2 PRO 104 25.000% * 0.0692% (0.04 1.00 0.02 0.02) = 0.069% HG3 GLU- 64 - HB2 PRO 104 25.000% * 0.0615% (0.04 1.00 0.02 0.02) = 0.062% Not enough quality. Peak unassigned. Peak 2044 (2.08, 2.49, 32.54 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2048 (1.97, 2.29, 32.33 ppm): 18 chemical-shift based assignments, quality = 0.607, support = 1.41, residual support = 3.74: HG3 PRO 116 - HB2 PRO 86 5.556% * 44.2119% (0.71 1.94 5.32) = 44.212% kept HG3 PRO 116 - HB3 PRO 86 5.556% * 25.9920% (0.43 1.88 5.32) = 25.992% kept HB3 GLU- 109 - HB2 PRO 86 5.556% * 6.6663% (0.84 0.25 0.02) = 6.666% kept HB VAL 122 - HB2 PRO 86 5.556% * 6.3680% (0.81 0.24 0.02) = 6.368% kept HB3 GLU- 109 - HB3 PRO 86 5.556% * 4.0059% (0.51 0.24 0.02) = 4.006% kept HB VAL 122 - HB3 PRO 86 5.556% * 3.8109% (0.49 0.24 0.02) = 3.811% kept HB VAL 73 - HB2 PRO 86 5.556% * 2.6451% (0.95 0.09 0.02) = 2.645% kept HB3 LYS+ 55 - HB3 PRO 86 5.556% * 2.2854% (0.22 0.32 0.02) = 2.285% kept HB2 LYS+ 108 - HB2 PRO 86 5.556% * 1.1661% (0.47 0.08 0.02) = 1.166% kept HB2 GLU- 75 - HB2 PRO 86 5.556% * 0.6008% (0.22 0.09 0.02) = 0.601% HG3 PRO 104 - HB2 PRO 86 5.556% * 0.5923% (0.92 0.02 0.02) = 0.592% HB VAL 73 - HB3 PRO 86 5.556% * 0.3741% (0.58 0.02 0.02) = 0.374% HG3 PRO 104 - HB3 PRO 86 5.556% * 0.3611% (0.56 0.02 0.02) = 0.361% HG3 PRO 31 - HB2 PRO 86 5.556% * 0.2574% (0.40 0.02 0.02) = 0.257% HB3 LYS+ 55 - HB2 PRO 86 5.556% * 0.2350% (0.36 0.02 0.02) = 0.235% HB2 LYS+ 108 - HB3 PRO 86 5.556% * 0.1858% (0.29 0.02 0.02) = 0.186% HG3 PRO 31 - HB3 PRO 86 5.556% * 0.1569% (0.24 0.02 0.02) = 0.157% HB2 GLU- 75 - HB3 PRO 86 5.556% * 0.0850% (0.13 0.02 0.02) = 0.085% Peak 2049 (1.96, 1.95, 32.51 ppm): 2 diagonal assignments: HB3 LYS+ 55 - HB3 LYS+ 55 (0.52) kept HB2 PRO 116 - HB2 PRO 116 (0.15) kept Peak 2053 (1.81, 1.81, 32.63 ppm): 5 diagonal assignments: HB3 LYS+ 117 - HB3 LYS+ 117 (0.69) kept HB2 LYS+ 117 - HB2 LYS+ 117 (0.60) kept HB3 LYS+ 63 - HB3 LYS+ 63 (0.39) kept HB3 PRO 116 - HB3 PRO 116 (0.15) kept HB2 PRO 59 - HB2 PRO 59 (0.08) kept Peak 2054 (1.79, 1.95, 32.54 ppm): 24 chemical-shift based assignments, quality = 0.66, support = 1.63, residual support = 3.13: O HB3 PRO 116 - HB2 PRO 116 4.167% * 68.4448% (0.66 10.0 1.00 2.00 3.07) = 68.445% kept T HG2 PRO 31 - HB3 LYS+ 55 4.167% * 15.0017% (0.80 1.0 10.00 0.36 0.02) = 15.002% kept HB2 LYS+ 117 - HB2 PRO 116 4.167% * 5.5508% (0.66 1.0 1.00 1.62 9.34) = 5.551% kept HB3 LYS+ 117 - HB2 PRO 116 4.167% * 5.2625% (0.63 1.0 1.00 1.62 9.34) = 5.263% kept HB3 GLU- 18 - HB3 LYS+ 55 4.167% * 2.0368% (0.47 1.0 1.00 0.84 0.11) = 2.037% kept HB3 ARG+ 53 - HB3 LYS+ 55 4.167% * 2.0115% (0.47 1.0 1.00 0.83 0.68) = 2.011% kept T HG2 PRO 31 - HB2 PRO 116 4.167% * 0.6983% (0.67 1.0 10.00 0.02 0.02) = 0.698% HB3 LYS+ 63 - HB3 LYS+ 55 4.167% * 0.0856% (0.83 1.0 1.00 0.02 0.02) = 0.086% HB3 PRO 116 - HB3 LYS+ 55 4.167% * 0.0810% (0.78 1.0 1.00 0.02 0.02) = 0.081% HB3 LYS+ 113 - HB3 LYS+ 55 4.167% * 0.0810% (0.78 1.0 1.00 0.02 0.02) = 0.081% HB2 LYS+ 117 - HB3 LYS+ 55 4.167% * 0.0810% (0.78 1.0 1.00 0.02 0.02) = 0.081% HB3 LYS+ 108 - HB3 LYS+ 55 4.167% * 0.0790% (0.76 1.0 1.00 0.02 0.02) = 0.079% HB3 LYS+ 117 - HB3 LYS+ 55 4.167% * 0.0768% (0.74 1.0 1.00 0.02 0.02) = 0.077% HB3 LYS+ 63 - HB2 PRO 116 4.167% * 0.0724% (0.70 1.0 1.00 0.02 0.02) = 0.072% HB3 LYS+ 44 - HB3 LYS+ 55 4.167% * 0.0686% (0.66 1.0 1.00 0.02 0.02) = 0.069% HB3 LYS+ 113 - HB2 PRO 116 4.167% * 0.0684% (0.66 1.0 1.00 0.02 0.02) = 0.068% HB3 LYS+ 108 - HB2 PRO 116 4.167% * 0.0668% (0.64 1.0 1.00 0.02 0.30) = 0.067% HB3 LYS+ 44 - HB2 PRO 116 4.167% * 0.0579% (0.56 1.0 1.00 0.02 0.02) = 0.058% HB3 ARG+ 53 - HB2 PRO 116 4.167% * 0.0410% (0.40 1.0 1.00 0.02 0.02) = 0.041% HB3 GLU- 18 - HB2 PRO 116 4.167% * 0.0410% (0.40 1.0 1.00 0.02 0.02) = 0.041% HB2 GLU- 109 - HB3 LYS+ 55 4.167% * 0.0292% (0.28 1.0 1.00 0.02 0.02) = 0.029% HB2 GLU- 109 - HB2 PRO 116 4.167% * 0.0247% (0.24 1.0 1.00 0.02 0.02) = 0.025% HD3 LYS+ 72 - HB3 LYS+ 55 4.167% * 0.0213% (0.21 1.0 1.00 0.02 0.02) = 0.021% HD3 LYS+ 72 - HB2 PRO 116 4.167% * 0.0180% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 2055 (1.56, 1.96, 32.49 ppm): 18 chemical-shift based assignments, quality = 0.405, support = 0.31, residual support = 0.619: QG2 THR 24 - HB2 PRO 116 5.556% * 34.8295% (0.42 0.47 1.13) = 34.829% kept HG3 LYS+ 60 - HB3 LYS+ 55 5.556% * 29.7824% (0.41 0.41 0.02) = 29.782% kept HB ILE 19 - HB2 PRO 116 5.556% * 9.7045% (0.35 0.16 0.22) = 9.705% kept HB3 LEU 23 - HB2 PRO 116 5.556% * 5.5353% (0.25 0.12 2.57) = 5.535% kept HB3 LEU 90 - HB3 LYS+ 55 5.556% * 2.1055% (0.59 0.02 0.02) = 2.105% kept HG13 ILE 29 - HB3 LYS+ 55 5.556% * 2.0095% (0.56 0.02 0.02) = 2.009% kept QG2 THR 24 - HB3 LYS+ 55 5.556% * 1.8426% (0.52 0.02 0.02) = 1.843% kept HD3 LYS+ 60 - HB3 LYS+ 55 5.556% * 1.7743% (0.50 0.02 0.02) = 1.774% kept HB3 LEU 90 - HB2 PRO 116 5.556% * 1.7076% (0.48 0.02 1.26) = 1.708% kept HG13 ILE 29 - HB2 PRO 116 5.556% * 1.6297% (0.46 0.02 0.02) = 1.630% kept HG LEU 17 - HB3 LYS+ 55 5.556% * 1.6234% (0.45 0.02 0.02) = 1.623% kept HB ILE 19 - HB3 LYS+ 55 5.556% * 1.5425% (0.43 0.02 2.06) = 1.543% kept HD3 LYS+ 60 - HB2 PRO 116 5.556% * 1.4390% (0.40 0.02 0.02) = 1.439% kept HG LEU 17 - HB2 PRO 116 5.556% * 1.3166% (0.37 0.02 0.02) = 1.317% kept HG3 LYS+ 60 - HB2 PRO 116 5.556% * 1.1834% (0.33 0.02 0.02) = 1.183% kept HB3 LEU 23 - HB3 LYS+ 55 5.556% * 1.1176% (0.31 0.02 0.02) = 1.118% kept QG2 VAL 80 - HB3 LYS+ 55 5.556% * 0.4729% (0.13 0.02 0.02) = 0.473% QG2 VAL 80 - HB2 PRO 116 5.556% * 0.3836% (0.11 0.02 0.02) = 0.384% 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): 30 chemical-shift based assignments, quality = 0.683, support = 0.97, residual support = 15.5: O HG3 LYS+ 55 - HB3 LYS+ 55 3.333% * 88.4875% (0.73 10.0 1.00 17.46) = 88.488% kept HG3 LYS+ 108 - HB3 LYS+ 55 3.333% * 4.9168% (0.46 1.0 0.88 0.02) = 4.917% kept HG3 LYS+ 108 - HB2 PRO 116 3.333% * 3.9391% (0.31 1.0 1.06 0.30) = 3.939% kept HG LEU 74 - HB3 LYS+ 55 3.333% * 0.9206% (0.28 1.0 0.28 0.02) = 0.921% HG LEU 90 - HB3 LYS+ 55 3.333% * 0.1969% (0.82 1.0 0.02 0.02) = 0.197% HB3 LYS+ 60 - HB3 LYS+ 55 3.333% * 0.1969% (0.82 1.0 0.02 0.02) = 0.197% HG LEU 74 - HB2 PRO 116 3.333% * 0.1757% (0.18 1.0 0.08 0.02) = 0.176% HD3 LYS+ 113 - HB3 LYS+ 55 3.333% * 0.1712% (0.71 1.0 0.02 0.02) = 0.171% HG LEU 90 - HB2 PRO 116 3.333% * 0.1305% (0.54 1.0 0.02 1.26) = 0.131% HB3 LYS+ 60 - HB2 PRO 116 3.333% * 0.1305% (0.54 1.0 0.02 0.02) = 0.131% HG3 LYS+ 55 - HB2 PRO 116 3.333% * 0.1173% (0.49 1.0 0.02 0.02) = 0.117% HD3 LYS+ 113 - HB2 PRO 116 3.333% * 0.1135% (0.47 1.0 0.02 0.02) = 0.113% HD3 LYS+ 44 - HB3 LYS+ 55 3.333% * 0.1117% (0.46 1.0 0.02 0.02) = 0.112% HG LEU 74 - HB3 PRO 35 3.333% * 0.0799% (0.01 1.0 0.45 0.11) = 0.080% HD3 LYS+ 44 - HB2 PRO 116 3.333% * 0.0741% (0.31 1.0 0.02 0.02) = 0.074% QG2 THR 38 - HB3 LYS+ 55 3.333% * 0.0391% (0.16 1.0 0.02 0.02) = 0.039% QB ALA 37 - HB3 LYS+ 55 3.333% * 0.0391% (0.16 1.0 0.02 0.02) = 0.039% QB ALA 42 - HB3 LYS+ 55 3.333% * 0.0304% (0.13 1.0 0.02 0.02) = 0.030% QG2 THR 38 - HB2 PRO 116 3.333% * 0.0259% (0.11 1.0 0.02 0.02) = 0.026% QB ALA 37 - HB2 PRO 116 3.333% * 0.0259% (0.11 1.0 0.02 0.02) = 0.026% QB ALA 42 - HB2 PRO 116 3.333% * 0.0202% (0.08 1.0 0.02 0.02) = 0.020% HG LEU 90 - HB3 PRO 35 3.333% * 0.0105% (0.04 1.0 0.02 0.02) = 0.011% HB3 LYS+ 60 - HB3 PRO 35 3.333% * 0.0105% (0.04 1.0 0.02 0.02) = 0.011% HG3 LYS+ 55 - HB3 PRO 35 3.333% * 0.0094% (0.04 1.0 0.02 0.02) = 0.009% HD3 LYS+ 113 - HB3 PRO 35 3.333% * 0.0091% (0.04 1.0 0.02 0.02) = 0.009% HD3 LYS+ 44 - HB3 PRO 35 3.333% * 0.0060% (0.02 1.0 0.02 0.02) = 0.006% HG3 LYS+ 108 - HB3 PRO 35 3.333% * 0.0060% (0.02 1.0 0.02 0.02) = 0.006% QB ALA 37 - HB3 PRO 35 3.333% * 0.0021% (0.01 1.0 0.02 0.82) = 0.002% QG2 THR 38 - HB3 PRO 35 3.333% * 0.0021% (0.01 1.0 0.02 0.12) = 0.002% QB ALA 42 - HB3 PRO 35 3.333% * 0.0016% (0.01 1.0 0.02 0.02) = 0.002% Peak 2058 (1.37, 1.95, 32.55 ppm): 18 chemical-shift based assignments, quality = 0.438, support = 0.944, residual support = 0.723: QG2 THR 39 - HB2 PRO 116 5.556% * 32.0710% (0.42 1.51 1.06) = 32.071% kept HB3 LYS+ 20 - HB2 PRO 116 5.556% * 29.3574% (0.57 1.02 0.55) = 29.357% kept HG13 ILE 19 - HB2 PRO 116 5.556% * 12.0380% (0.44 0.54 0.22) = 12.038% kept HG13 ILE 19 - HB3 LYS+ 55 5.556% * 7.9394% (0.62 0.25 2.06) = 7.939% kept HG LEU 74 - HB3 LYS+ 55 5.556% * 5.9371% (0.43 0.28 0.02) = 5.937% kept HD3 LYS+ 20 - HB2 PRO 116 5.556% * 5.3870% (0.10 1.05 0.55) = 5.387% kept HG LEU 74 - HB2 PRO 116 5.556% * 1.2126% (0.30 0.08 0.02) = 1.213% kept HB3 LYS+ 20 - HB3 LYS+ 55 5.556% * 0.8079% (0.80 0.02 0.02) = 0.808% QB ALA 91 - HB3 LYS+ 55 5.556% * 0.7797% (0.77 0.02 0.02) = 0.780% HG2 LYS+ 78 - HB3 LYS+ 55 5.556% * 0.7392% (0.73 0.02 0.02) = 0.739% HG3 ARG+ 22 - HB3 LYS+ 55 5.556% * 0.6600% (0.65 0.02 0.02) = 0.660% QG2 THR 39 - HB3 LYS+ 55 5.556% * 0.5985% (0.59 0.02 0.02) = 0.599% HD3 LYS+ 20 - HB3 LYS+ 55 5.556% * 0.5753% (0.14 0.08 0.02) = 0.575% QB ALA 91 - HB2 PRO 116 5.556% * 0.5531% (0.55 0.02 0.02) = 0.553% HG2 LYS+ 78 - HB2 PRO 116 5.556% * 0.5243% (0.52 0.02 0.02) = 0.524% HG3 ARG+ 22 - HB2 PRO 116 5.556% * 0.4681% (0.46 0.02 0.02) = 0.468% HB2 LEU 17 - HB3 LYS+ 55 5.556% * 0.2055% (0.20 0.02 0.02) = 0.206% HB2 LEU 17 - HB2 PRO 116 5.556% * 0.1458% (0.14 0.02 0.02) = 0.146% Peak 2059 (1.15, 1.90, 32.60 ppm): 16 chemical-shift based assignments, quality = 0.118, support = 0.317, residual support = 0.0597: HG LEU 74 - HB3 PRO 35 6.250% * 42.6515% (0.13 0.45 0.11) = 42.652% kept HG3 LYS+ 32 - HB3 PRO 35 6.250% * 18.8424% (0.05 0.48 0.02) = 18.842% kept HG LEU 74 - HB2 PRO 116 6.250% * 13.6591% (0.24 0.08 0.02) = 13.659% kept QB ALA 33 - HB3 PRO 35 6.250% * 9.3773% (0.05 0.24 0.02) = 9.377% kept HG3 PRO 59 - HB2 PRO 116 6.250% * 2.8921% (0.20 0.02 0.02) = 2.892% kept QG2 THR 106 - HB2 PRO 116 6.250% * 1.6854% (0.12 0.02 0.23) = 1.685% kept HG3 PRO 59 - HB3 PRO 35 6.250% * 1.6000% (0.11 0.02 0.02) = 1.600% kept HG3 LYS+ 32 - HB2 PRO 116 6.250% * 1.4235% (0.10 0.02 0.02) = 1.423% kept QB ALA 33 - HB2 PRO 116 6.250% * 1.4235% (0.10 0.02 0.02) = 1.423% kept HB2 LEU 74 - HB2 PRO 116 6.250% * 1.2995% (0.09 0.02 0.02) = 1.299% kept HB3 LYS+ 66 - HB2 PRO 116 6.250% * 1.1811% (0.08 0.02 0.02) = 1.181% kept HD3 LYS+ 111 - HB2 PRO 116 6.250% * 1.0687% (0.07 0.02 0.02) = 1.069% kept QG2 THR 106 - HB3 PRO 35 6.250% * 0.9324% (0.06 0.02 0.02) = 0.932% HB2 LEU 74 - HB3 PRO 35 6.250% * 0.7189% (0.05 0.02 0.11) = 0.719% HB3 LYS+ 66 - HB3 PRO 35 6.250% * 0.6534% (0.04 0.02 0.02) = 0.653% HD3 LYS+ 111 - HB3 PRO 35 6.250% * 0.5912% (0.04 0.02 0.02) = 0.591% Not enough quality. Peak unassigned. Peak 2060 (0.92, 2.13, 32.57 ppm): 14 chemical-shift based assignments, quality = 0.0719, support = 2.02, residual support = 13.4: O QG2 VAL 87 - HB VAL 87 7.143% * 95.5908% (0.07 10.0 2.11 14.06) = 95.591% kept QG2 VAL 73 - HB VAL 87 7.143% * 1.2291% (0.16 1.0 0.12 0.02) = 1.229% kept HG LEU 74 - HB VAL 87 7.143% * 1.0864% (0.10 1.0 0.16 0.02) = 1.086% kept QD1 LEU 67 - HB VAL 87 7.143% * 0.6756% (0.07 1.0 0.15 0.02) = 0.676% QG2 VAL 105 - HB VAL 87 7.143% * 0.3520% (0.05 1.0 0.11 0.02) = 0.352% QG1 VAL 47 - HB VAL 87 7.143% * 0.2978% (0.05 1.0 0.08 0.02) = 0.298% QD1 LEU 17 - HB VAL 87 7.143% * 0.1629% (0.12 1.0 0.02 0.02) = 0.163% QG1 VAL 105 - HB VAL 87 7.143% * 0.1548% (0.12 1.0 0.02 0.02) = 0.155% HG13 ILE 68 - HB VAL 87 7.143% * 0.1038% (0.08 1.0 0.02 0.02) = 0.104% HG12 ILE 29 - HB VAL 87 7.143% * 0.0877% (0.07 1.0 0.02 0.02) = 0.088% QG2 VAL 62 - HB VAL 87 7.143% * 0.0800% (0.06 1.0 0.02 0.02) = 0.080% HG12 ILE 68 - HB VAL 87 7.143% * 0.0658% (0.05 1.0 0.02 0.02) = 0.066% QG2 ILE 29 - HB VAL 87 7.143% * 0.0658% (0.05 1.0 0.02 0.02) = 0.066% HG3 LYS+ 63 - HB VAL 87 7.143% * 0.0475% (0.04 1.0 0.02 0.02) = 0.047% Peak 2061 (0.72, 1.44, 32.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2062 (8.77, 2.05, 32.16 ppm): 12 chemical-shift based assignments, quality = 0.118, support = 3.6, residual support = 31.0: O HN VAL 62 - HB VAL 62 8.333% * 96.9777% (0.12 10.0 3.70 31.97) = 96.978% kept HN THR 95 - HB VAL 62 8.333% * 2.4107% (0.15 1.0 0.40 0.02) = 2.411% kept HN PHE 34 - HB VAL 62 8.333% * 0.1252% (0.15 1.0 0.02 0.02) = 0.125% HN SER 69 - HB VAL 62 8.333% * 0.0909% (0.11 1.0 0.02 0.02) = 0.091% HN PHE 34 - HB2 PRO 112 8.333% * 0.0624% (0.08 1.0 0.02 0.02) = 0.062% HN THR 95 - HB2 PRO 112 8.333% * 0.0599% (0.07 1.0 0.02 0.02) = 0.060% HN PHE 34 - HB3 PRO 112 8.333% * 0.0519% (0.06 1.0 0.02 0.02) = 0.052% HN THR 95 - HB3 PRO 112 8.333% * 0.0497% (0.06 1.0 0.02 0.02) = 0.050% HN VAL 62 - HB2 PRO 112 8.333% * 0.0484% (0.06 1.0 0.02 0.02) = 0.048% HN SER 69 - HB2 PRO 112 8.333% * 0.0453% (0.06 1.0 0.02 0.02) = 0.045% HN VAL 62 - HB3 PRO 112 8.333% * 0.0402% (0.05 1.0 0.02 0.02) = 0.040% HN SER 69 - HB3 PRO 112 8.333% * 0.0377% (0.05 1.0 0.02 0.02) = 0.038% Peak 2063 (8.60, 2.27, 32.03 ppm): 4 chemical-shift based assignments, quality = 0.102, support = 0.0515, residual support = 0.02: HN VAL 73 - HB2 PRO 86 25.000% * 47.5492% (0.08 0.09 0.02) = 47.549% kept HN LYS+ 20 - HB2 PRO 86 25.000% * 22.2178% (0.15 0.02 0.02) = 22.218% kept HN THR 39 - HB2 PRO 86 25.000% * 15.5699% (0.11 0.02 0.02) = 15.570% kept HN VAL 80 - HB2 PRO 86 25.000% * 14.6632% (0.10 0.02 0.02) = 14.663% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2064 (4.47, 1.97, 32.15 ppm): 18 chemical-shift based assignments, quality = 0.168, support = 0.576, residual support = 1.07: HA LYS+ 32 - HB VAL 73 5.556% * 41.8105% (0.27 0.57 0.27) = 41.811% kept HA PRO 86 - HB2 PRO 116 5.556% * 17.8490% (0.06 1.10 5.32) = 17.849% kept HA CYS 123 - HB VAL 73 5.556% * 13.3141% (0.10 0.50 0.02) = 13.314% kept HA ASN 76 - HB VAL 73 5.556% * 10.0620% (0.15 0.25 0.02) = 10.062% kept HA SER 77 - HB VAL 73 5.556% * 9.6857% (0.07 0.50 0.02) = 9.686% kept HA PRO 86 - HB VAL 73 5.556% * 1.3876% (0.26 0.02 0.02) = 1.388% kept HA ILE 100 - HB VAL 73 5.556% * 1.2923% (0.24 0.02 0.02) = 1.292% kept HA ILE 101 - HB VAL 73 5.556% * 1.2389% (0.23 0.02 0.10) = 1.239% kept HA GLU- 50 - HB VAL 73 5.556% * 0.9384% (0.17 0.02 0.02) = 0.938% HA VAL 99 - HB VAL 73 5.556% * 0.6937% (0.13 0.02 0.02) = 0.694% HA LYS+ 32 - HB2 PRO 116 5.556% * 0.3438% (0.06 0.02 0.02) = 0.344% HA ILE 100 - HB2 PRO 116 5.556% * 0.3036% (0.06 0.02 0.12) = 0.304% HA ILE 101 - HB2 PRO 116 5.556% * 0.2910% (0.05 0.02 0.02) = 0.291% HA GLU- 50 - HB2 PRO 116 5.556% * 0.2205% (0.04 0.02 0.02) = 0.220% HA ASN 76 - HB2 PRO 116 5.556% * 0.1912% (0.04 0.02 0.02) = 0.191% HA VAL 99 - HB2 PRO 116 5.556% * 0.1630% (0.03 0.02 0.02) = 0.163% HA CYS 123 - HB2 PRO 116 5.556% * 0.1240% (0.02 0.02 0.02) = 0.124% HA SER 77 - HB2 PRO 116 5.556% * 0.0906% (0.02 0.02 0.02) = 0.091% Not enough quality. Peak unassigned. Peak 2065 (4.46, 2.32, 32.18 ppm): 16 chemical-shift based assignments, quality = 0.682, support = 4.53, residual support = 16.8: O HA PRO 86 - HB3 PRO 86 6.250% * 61.7804% (0.80 10.0 3.97 16.85) = 61.780% kept O HA PRO 86 - HB2 PRO 86 6.250% * 37.6595% (0.49 10.0 5.52 16.85) = 37.660% kept HA GLU- 50 - HB3 PRO 86 6.250% * 0.0663% (0.86 1.0 0.02 0.37) = 0.066% HA ILE 101 - HB3 PRO 86 6.250% * 0.0656% (0.85 1.0 0.02 0.02) = 0.066% HA ILE 100 - HB3 PRO 86 6.250% * 0.0646% (0.84 1.0 0.02 0.02) = 0.065% HA VAL 99 - HB3 PRO 86 6.250% * 0.0618% (0.80 1.0 0.02 0.02) = 0.062% HA LYS+ 32 - HB3 PRO 86 6.250% * 0.0581% (0.76 1.0 0.02 0.02) = 0.058% HA GLU- 50 - HB2 PRO 86 6.250% * 0.0404% (0.53 1.0 0.02 0.37) = 0.040% HA ILE 101 - HB2 PRO 86 6.250% * 0.0400% (0.52 1.0 0.02 0.02) = 0.040% HA ILE 100 - HB2 PRO 86 6.250% * 0.0394% (0.51 1.0 0.02 0.02) = 0.039% HA VAL 99 - HB2 PRO 86 6.250% * 0.0377% (0.49 1.0 0.02 0.02) = 0.038% HA LYS+ 32 - HB2 PRO 86 6.250% * 0.0354% (0.46 1.0 0.02 0.02) = 0.035% HB THR 24 - HB3 PRO 86 6.250% * 0.0167% (0.22 1.0 0.02 0.02) = 0.017% HA LYS+ 111 - HB3 PRO 86 6.250% * 0.0149% (0.19 1.0 0.02 0.02) = 0.015% HB THR 24 - HB2 PRO 86 6.250% * 0.0102% (0.13 1.0 0.02 0.02) = 0.010% HA LYS+ 111 - HB2 PRO 86 6.250% * 0.0091% (0.12 1.0 0.02 0.02) = 0.009% Peak 2066 (4.39, 2.18, 32.14 ppm): 10 chemical-shift based assignments, quality = 0.579, support = 1.05, residual support = 4.5: T HA THR 95 - HB3 PRO 104 10.000% * 86.0807% (0.59 10.00 1.13 5.19) = 86.081% kept HA LYS+ 60 - HB3 PRO 104 10.000% * 5.4156% (0.44 1.00 0.95 0.52) = 5.416% kept HA SER 88 - HB3 PRO 104 10.000% * 3.7399% (0.65 1.00 0.44 0.02) = 3.740% kept HA TRP 51 - HB3 PRO 104 10.000% * 2.2938% (0.64 1.00 0.28 0.02) = 2.294% kept HA ASN 57 - HB3 PRO 104 10.000% * 1.9218% (0.52 1.00 0.29 0.02) = 1.922% kept HA THR 24 - HB3 PRO 104 10.000% * 0.2530% (0.19 1.00 0.10 0.02) = 0.253% HA ALA 37 - HB3 PRO 104 10.000% * 0.1279% (0.49 1.00 0.02 0.02) = 0.128% HA THR 38 - HB3 PRO 104 10.000% * 0.0927% (0.36 1.00 0.02 0.02) = 0.093% HA2 GLY 26 - HB3 PRO 104 10.000% * 0.0439% (0.17 1.00 0.02 0.02) = 0.044% HA LYS+ 117 - HB3 PRO 104 10.000% * 0.0308% (0.12 1.00 0.02 0.02) = 0.031% Peak 2067 (4.39, 1.84, 32.20 ppm): 11 chemical-shift based assignments, quality = 0.644, support = 1.82, residual support = 4.09: T HA THR 95 - HB2 PRO 104 9.091% * 77.0772% (0.70 10.00 2.15 5.19) = 77.077% kept T HA LYS+ 60 - HB2 PRO 104 9.091% * 17.8867% (0.43 10.00 0.76 0.52) = 17.887% kept HA TRP 51 - HB2 PRO 104 9.091% * 2.2358% (0.68 1.00 0.60 0.02) = 2.236% kept HA SER 88 - HB2 PRO 104 9.091% * 1.8209% (0.75 1.00 0.44 0.02) = 1.821% kept HA ASN 57 - HB2 PRO 104 9.091% * 0.8189% (0.52 1.00 0.29 0.02) = 0.819% HA ALA 37 - HB2 PRO 104 9.091% * 0.0540% (0.49 1.00 0.02 0.02) = 0.054% HA THR 38 - HB2 PRO 104 9.091% * 0.0374% (0.34 1.00 0.02 0.02) = 0.037% HA THR 24 - HB2 PRO 104 9.091% * 0.0285% (0.26 1.00 0.02 0.02) = 0.028% HA2 GLY 26 - HB2 PRO 104 9.091% * 0.0165% (0.15 1.00 0.02 0.02) = 0.017% HA LYS+ 66 - HB2 PRO 104 9.091% * 0.0129% (0.12 1.00 0.02 0.02) = 0.013% HA LYS+ 117 - HB2 PRO 104 9.091% * 0.0113% (0.10 1.00 0.02 0.02) = 0.011% Peak 2068 (3.86, 2.32, 32.16 ppm): 18 chemical-shift based assignments, quality = 0.481, support = 3.23, residual support = 15.6: O T HD3 PRO 86 - HB3 PRO 86 5.556% * 45.2458% (0.68 10.0 10.00 3.25 16.85) = 45.246% kept O T HD3 PRO 86 - HB2 PRO 86 5.556% * 23.0372% (0.35 10.0 10.00 3.72 16.85) = 23.037% kept O T HD2 PRO 86 - HB3 PRO 86 5.556% * 13.0064% (0.19 10.0 10.00 3.25 16.85) = 13.006% kept O T HD2 PRO 86 - HB2 PRO 86 5.556% * 6.6223% (0.10 10.0 10.00 3.72 16.85) = 6.622% kept HA VAL 87 - HB3 PRO 86 5.556% * 5.3986% (0.72 1.0 1.00 2.24 8.20) = 5.399% kept HA VAL 87 - HB2 PRO 86 5.556% * 2.7487% (0.37 1.0 1.00 2.24 8.20) = 2.749% kept HB2 SER 85 - HB3 PRO 86 5.556% * 2.0626% (0.51 1.0 1.00 1.22 2.44) = 2.063% kept HB2 SER 85 - HB2 PRO 86 5.556% * 1.4440% (0.26 1.0 1.00 1.68 2.44) = 1.444% kept T HD2 PRO 116 - HB3 PRO 86 5.556% * 0.1610% (0.24 1.0 10.00 0.02 5.32) = 0.161% T HD2 PRO 116 - HB2 PRO 86 5.556% * 0.0820% (0.12 1.0 10.00 0.02 5.32) = 0.082% HB3 SER 88 - HB3 PRO 86 5.556% * 0.0511% (0.77 1.0 1.00 0.02 0.02) = 0.051% HA LYS+ 44 - HB3 PRO 86 5.556% * 0.0320% (0.48 1.0 1.00 0.02 0.02) = 0.032% HB3 SER 88 - HB2 PRO 86 5.556% * 0.0260% (0.39 1.0 1.00 0.02 0.02) = 0.026% HA ILE 48 - HB3 PRO 86 5.556% * 0.0242% (0.36 1.0 1.00 0.02 0.02) = 0.024% HA VAL 125 - HB3 PRO 86 5.556% * 0.0196% (0.29 1.0 1.00 0.02 0.02) = 0.020% HA LYS+ 44 - HB2 PRO 86 5.556% * 0.0163% (0.24 1.0 1.00 0.02 0.02) = 0.016% HA ILE 48 - HB2 PRO 86 5.556% * 0.0123% (0.18 1.0 1.00 0.02 0.02) = 0.012% HA VAL 125 - HB2 PRO 86 5.556% * 0.0100% (0.15 1.0 1.00 0.02 0.02) = 0.010% Peak 2069 (3.86, 1.97, 32.17 ppm): 18 chemical-shift based assignments, quality = 0.0917, support = 0.586, residual support = 1.54: T HA LYS+ 44 - HB VAL 73 5.556% * 44.0827% (0.16 1.0 10.00 0.21 0.14) = 44.083% kept O HD2 PRO 116 - HB2 PRO 116 5.556% * 29.0856% (0.02 10.0 1.00 1.17 3.07) = 29.086% kept HD3 PRO 86 - HB2 PRO 116 5.556% * 8.8128% (0.06 1.0 1.00 1.10 5.32) = 8.813% kept HA ILE 48 - HB VAL 73 5.556% * 4.8361% (0.12 1.0 1.00 0.30 0.02) = 4.836% kept HA VAL 87 - HB2 PRO 116 5.556% * 2.7869% (0.06 1.0 1.00 0.35 0.02) = 2.787% kept HA VAL 125 - HB VAL 73 5.556% * 2.2244% (0.09 1.0 1.00 0.19 0.02) = 2.224% kept HD2 PRO 86 - HB2 PRO 116 5.556% * 2.1878% (0.01 1.0 1.00 1.10 5.32) = 2.188% kept HB2 SER 85 - HB2 PRO 116 5.556% * 1.8848% (0.04 1.0 1.00 0.35 0.02) = 1.885% kept T HA LYS+ 44 - HB2 PRO 116 5.556% * 1.0927% (0.04 1.0 10.00 0.02 0.02) = 1.093% kept HB3 SER 88 - HB VAL 73 5.556% * 0.6710% (0.25 1.0 1.00 0.02 0.02) = 0.671% HA VAL 87 - HB VAL 73 5.556% * 0.6236% (0.23 1.0 1.00 0.02 0.02) = 0.624% HD3 PRO 86 - HB VAL 73 5.556% * 0.6236% (0.23 1.0 1.00 0.02 0.02) = 0.624% HB2 SER 85 - HB VAL 73 5.556% * 0.4217% (0.16 1.0 1.00 0.02 0.02) = 0.422% HD2 PRO 116 - HB VAL 73 5.556% * 0.1933% (0.07 1.0 1.00 0.02 0.02) = 0.193% HB3 SER 88 - HB2 PRO 116 5.556% * 0.1732% (0.06 1.0 1.00 0.02 0.24) = 0.173% HD2 PRO 86 - HB VAL 73 5.556% * 0.1548% (0.06 1.0 1.00 0.02 0.02) = 0.155% HA ILE 48 - HB2 PRO 116 5.556% * 0.0839% (0.03 1.0 1.00 0.02 0.02) = 0.084% HA VAL 125 - HB2 PRO 116 5.556% * 0.0612% (0.02 1.0 1.00 0.02 0.02) = 0.061% Not enough quality. Peak unassigned. Peak 2070 (3.76, 2.18, 32.19 ppm): 5 chemical-shift based assignments, quality = 0.563, support = 3.8, residual support = 20.5: O HD3 PRO 104 - HB3 PRO 104 20.000% * 86.4154% (0.55 10.0 1.00 4.03 22.65) = 86.415% kept HA ILE 48 - HB3 PRO 104 20.000% * 13.1439% (0.69 1.0 1.00 2.39 7.08) = 13.144% kept T HA LYS+ 44 - HB3 PRO 104 20.000% * 0.2679% (0.17 1.0 10.00 0.02 0.02) = 0.268% HB3 SER 27 - HB3 PRO 104 20.000% * 0.1255% (0.79 1.0 1.00 0.02 0.02) = 0.126% HA LEU 43 - HB3 PRO 104 20.000% * 0.0472% (0.30 1.0 1.00 0.02 0.02) = 0.047% Peak 2071 (3.62, 1.85, 32.26 ppm): 2 chemical-shift based assignments, quality = 0.864, support = 1.69, residual support = 5.88: HD2 PRO 112 - HB2 PRO 104 50.000% * 51.7624% (0.91 1.66 4.76) = 51.762% kept HA ILE 48 - HB2 PRO 104 50.000% * 48.2376% (0.82 1.72 7.08) = 48.238% kept Peak 2072 (3.44, 2.06, 32.18 ppm): 8 chemical-shift based assignments, quality = 0.151, support = 2.96, residual support = 31.9: O T HA VAL 62 - HB VAL 62 12.500% * 99.6412% (0.15 10.0 10.00 2.97 31.97) = 99.641% kept HB THR 79 - HB VAL 62 12.500% * 0.0768% (0.12 1.0 1.00 0.02 0.02) = 0.077% HA VAL 80 - HB VAL 62 12.500% * 0.0768% (0.12 1.0 1.00 0.02 0.52) = 0.077% HB2 SER 69 - HB VAL 62 12.500% * 0.0730% (0.11 1.0 1.00 0.02 0.02) = 0.073% HA THR 39 - HB VAL 62 12.500% * 0.0529% (0.08 1.0 1.00 0.02 0.02) = 0.053% HA1 GLY 71 - HB VAL 62 12.500% * 0.0310% (0.05 1.0 1.00 0.02 0.86) = 0.031% HD3 PRO 31 - HB VAL 62 12.500% * 0.0280% (0.04 1.0 1.00 0.02 0.02) = 0.028% HA ILE 48 - HB VAL 62 12.500% * 0.0203% (0.03 1.0 1.00 0.02 10.85) = 0.020% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2089 (2.31, 1.95, 32.25 ppm): 5 chemical-shift based assignments, quality = 0.35, support = 1.86, residual support = 5.31: T HB3 PRO 86 - HB2 PRO 116 20.000% * 77.5838% (0.38 10.00 2.13 5.32) = 77.584% kept T HB2 PRO 86 - HB2 PRO 116 20.000% * 22.2625% (0.24 10.00 0.93 5.32) = 22.262% kept HG3 GLU- 64 - HB2 PRO 116 20.000% * 0.0731% (0.36 1.00 0.02 0.02) = 0.073% HA1 GLY 58 - HB2 PRO 116 20.000% * 0.0421% (0.21 1.00 0.02 0.02) = 0.042% HB2 TYR 83 - HB2 PRO 116 20.000% * 0.0385% (0.19 1.00 0.02 0.02) = 0.039% Peak 2095 (2.18, 1.84, 32.19 ppm): 10 chemical-shift based assignments, quality = 0.492, support = 2.43, residual support = 20.1: O T HB3 PRO 104 - HB2 PRO 104 10.000% * 61.2875% (0.63 10.0 10.00 2.96 22.65) = 61.288% kept O HG2 PRO 104 - HB2 PRO 104 10.000% * 25.9115% (0.31 10.0 1.00 1.74 22.65) = 25.911% kept T HA1 GLY 58 - HB2 PRO 104 10.000% * 12.5277% (0.19 1.0 10.00 1.37 2.69) = 12.528% kept HB2 ASP- 82 - HB2 PRO 104 10.000% * 0.0580% (0.60 1.0 1.00 0.02 0.02) = 0.058% HG2 GLN 102 - HB2 PRO 104 10.000% * 0.0566% (0.58 1.0 1.00 0.02 0.02) = 0.057% HB VAL 99 - HB2 PRO 104 10.000% * 0.0532% (0.55 1.0 1.00 0.02 0.02) = 0.053% HG2 MET 126 - HB2 PRO 104 10.000% * 0.0396% (0.41 1.0 1.00 0.02 0.11) = 0.040% HB2 LYS+ 113 - HB2 PRO 104 10.000% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB3 GLU- 75 - HB2 PRO 104 10.000% * 0.0195% (0.20 1.0 1.00 0.02 0.02) = 0.020% HG3 GLU- 54 - HB2 PRO 104 10.000% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% Peak 2097 (1.89, 1.89, 32.31 ppm): 11 chemical-shift based assignments, quality = 0.124, support = 0.153, residual support = 0.0208: HB3 GLN 102 - HB2 PRO 104 9.091% * 40.7812% (0.11 0.27 0.02) = 40.781% kept HG2 GLU- 18 - HB2 PRO 104 9.091% * 24.8972% (0.16 0.11 0.02) = 24.897% kept HB3 MET 118 - HB2 PRO 104 9.091% * 15.9851% (0.14 0.08 0.02) = 15.985% kept HB3 CYS 123 - HB2 PRO 104 9.091% * 4.5916% (0.16 0.02 0.02) = 4.592% kept HB3 GLU- 54 - HB2 PRO 104 9.091% * 3.2177% (0.11 0.02 0.02) = 3.218% kept HG3 LYS+ 120 - HB2 PRO 104 9.091% * 2.8412% (0.10 0.02 0.02) = 2.841% kept HB3 ARG+ 84 - HB2 PRO 104 9.091% * 2.6521% (0.09 0.02 0.02) = 2.652% kept HD3 LYS+ 63 - HB2 PRO 104 9.091% * 2.1002% (0.07 0.02 0.02) = 2.100% kept HB3 GLU- 56 - HB2 PRO 104 9.091% * 1.1681% (0.04 0.02 0.02) = 1.168% kept HB2 LEU 23 - HB2 PRO 104 9.091% * 1.0429% (0.04 0.02 0.12) = 1.043% kept HB3 PRO 35 - HB2 PRO 104 9.091% * 0.7228% (0.03 0.02 0.02) = 0.723% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2098 (1.85, 2.18, 32.17 ppm): 8 chemical-shift based assignments, quality = 0.731, support = 2.95, residual support = 22.6: O HB2 PRO 104 - HB3 PRO 104 12.500% * 99.6393% (0.73 10.0 2.96 22.65) = 99.639% kept HB3 LYS+ 72 - HB3 PRO 104 12.500% * 0.0985% (0.73 1.0 0.02 0.02) = 0.099% HB2 LYS+ 66 - HB3 PRO 104 12.500% * 0.0691% (0.51 1.0 0.02 0.02) = 0.069% HG3 PRO 112 - HB3 PRO 104 12.500% * 0.0529% (0.39 1.0 0.02 4.76) = 0.053% HB3 PRO 59 - HB3 PRO 104 12.500% * 0.0529% (0.39 1.0 0.02 0.02) = 0.053% HB2 PRO 59 - HB3 PRO 104 12.500% * 0.0343% (0.25 1.0 0.02 0.02) = 0.034% HB3 ARG+ 84 - HB3 PRO 104 12.500% * 0.0280% (0.21 1.0 0.02 0.02) = 0.028% HG3 LYS+ 120 - HB3 PRO 104 12.500% * 0.0251% (0.18 1.0 0.02 0.02) = 0.025% Peak 2101 (0.92, 2.27, 32.00 ppm): 14 chemical-shift based assignments, quality = 0.112, support = 1.57, residual support = 6.09: QG2 VAL 87 - HB2 PRO 86 7.143% * 74.0595% (0.12 2.00 8.20) = 74.060% kept HG LEU 74 - HB2 PRO 86 7.143% * 16.6594% (0.10 0.51 0.13) = 16.659% kept QG2 VAL 73 - HB2 PRO 86 7.143% * 4.5433% (0.17 0.09 0.02) = 4.543% kept HG13 ILE 68 - HB2 PRO 86 7.143% * 0.7810% (0.12 0.02 0.02) = 0.781% QD1 LEU 67 - HB2 PRO 86 7.143% * 0.6957% (0.11 0.02 0.02) = 0.696% QG1 VAL 47 - HB2 PRO 86 7.143% * 0.6089% (0.10 0.02 0.02) = 0.609% QG2 VAL 105 - HB2 PRO 86 7.143% * 0.5658% (0.09 0.02 0.02) = 0.566% QD1 LEU 17 - HB2 PRO 86 7.143% * 0.5658% (0.09 0.02 0.02) = 0.566% QG1 VAL 105 - HB2 PRO 86 7.143% * 0.5235% (0.08 0.02 0.02) = 0.523% HG12 ILE 29 - HB2 PRO 86 7.143% * 0.2394% (0.04 0.02 0.02) = 0.239% QG2 VAL 62 - HB2 PRO 86 7.143% * 0.2128% (0.03 0.02 0.02) = 0.213% QG1 VAL 80 - HB2 PRO 86 7.143% * 0.2128% (0.03 0.02 0.02) = 0.213% QG2 ILE 29 - HB2 PRO 86 7.143% * 0.1659% (0.03 0.02 0.02) = 0.166% HG12 ILE 68 - HB2 PRO 86 7.143% * 0.1659% (0.03 0.02 0.02) = 0.166% Peak 2102 (8.59, 1.96, 31.75 ppm): 4 chemical-shift based assignments, quality = 0.6, support = 3.03, residual support = 17.9: O HN VAL 73 - HB VAL 73 25.000% * 99.6272% (0.60 10.0 3.04 17.94) = 99.627% kept HN THR 39 - HB VAL 73 25.000% * 0.1258% (0.76 1.0 0.02 0.11) = 0.126% HN LYS+ 20 - HB VAL 73 25.000% * 0.1258% (0.76 1.0 0.02 0.02) = 0.126% HN VAL 80 - HB VAL 73 25.000% * 0.1211% (0.73 1.0 0.02 0.02) = 0.121% Peak 2103 (7.42, 2.35, 31.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2104 (4.29, 2.24, 32.00 ppm): 11 chemical-shift based assignments, quality = 0.27, support = 0.164, residual support = 0.0729: HA LEU 90 - HG3 MET 118 9.091% * 53.9243% (0.35 0.23 0.12) = 53.924% kept HA ALA 91 - HG3 MET 118 9.091% * 17.5329% (0.15 0.17 0.02) = 17.533% kept HA SER 85 - HG3 MET 118 9.091% * 8.9434% (0.14 0.10 0.02) = 8.943% kept HA PRO 104 - HG3 MET 118 9.091% * 4.3074% (0.31 0.02 0.02) = 4.307% kept HA THR 106 - HG3 MET 118 9.091% * 4.3074% (0.31 0.02 0.02) = 4.307% kept HA ILE 29 - HG3 MET 118 9.091% * 2.8113% (0.21 0.02 0.02) = 2.811% kept HA PRO 52 - HG3 MET 118 9.091% * 1.8637% (0.14 0.02 0.02) = 1.864% kept HD3 PRO 59 - HG3 MET 118 9.091% * 1.8637% (0.14 0.02 0.02) = 1.864% kept HA VAL 65 - HG3 MET 118 9.091% * 1.5326% (0.11 0.02 0.02) = 1.533% kept HA PRO 112 - HG3 MET 118 9.091% * 1.5326% (0.11 0.02 0.02) = 1.533% kept HA ARG+ 84 - HG3 MET 118 9.091% * 1.3806% (0.10 0.02 0.02) = 1.381% kept Not enough support, support cutoff is 0.25 Peak unassigned. 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): 10 chemical-shift based assignments, quality = 0.365, support = 3.16, residual support = 26.2: O T HB3 HIS+ 98 - HB2 HIS+ 98 10.000% * 96.2931% (0.37 10.0 10.00 3.26 27.19) = 96.293% kept HD3 PRO 35 - HB2 HIS+ 98 10.000% * 1.8724% (0.46 1.0 1.00 0.31 0.02) = 1.872% kept HA1 GLY 58 - HB2 HIS+ 98 10.000% * 1.4691% (0.11 1.0 1.00 1.05 0.02) = 1.469% kept HD2 ARG+ 53 - HB2 HIS+ 98 10.000% * 0.1179% (0.45 1.0 1.00 0.02 0.02) = 0.118% HB3 PHE 34 - HB2 HIS+ 98 10.000% * 0.0681% (0.26 1.0 1.00 0.02 0.02) = 0.068% HE3 LYS+ 108 - HB2 HIS+ 98 10.000% * 0.0410% (0.16 1.0 1.00 0.02 0.02) = 0.041% HE3 LYS+ 117 - HB2 HIS+ 98 10.000% * 0.0410% (0.16 1.0 1.00 0.02 0.02) = 0.041% HE3 LYS+ 72 - HB2 HIS+ 98 10.000% * 0.0371% (0.14 1.0 1.00 0.02 0.02) = 0.037% HD3 ARG+ 84 - HB2 HIS+ 98 10.000% * 0.0334% (0.13 1.0 1.00 0.02 0.02) = 0.033% HE3 LYS+ 81 - HB2 HIS+ 98 10.000% * 0.0268% (0.10 1.0 1.00 0.02 0.02) = 0.027% Peak 2108 (2.92, 3.15, 31.92 ppm): 4 chemical-shift based assignments, quality = 0.271, support = 3.03, residual support = 24.7: O HB2 HIS+ 98 - HB3 HIS+ 98 25.000% * 88.2917% (0.25 10.0 3.26 27.19) = 88.292% kept HG3 MET 97 - HB3 HIS+ 98 25.000% * 11.3802% (0.48 1.0 1.32 5.66) = 11.380% kept HE3 LYS+ 60 - HB3 HIS+ 98 25.000% * 0.1863% (0.52 1.0 0.02 0.02) = 0.186% HA1 GLY 58 - HB3 HIS+ 98 25.000% * 0.1418% (0.39 1.0 0.02 0.02) = 0.142% 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): 10 chemical-shift based assignments, quality = 0.263, support = 0.434, residual support = 0.526: HG3 LYS+ 110 - HG3 MET 118 10.000% * 52.7661% (0.26 0.62 0.64) = 52.766% kept HG2 LYS+ 110 - HG3 MET 118 10.000% * 28.5498% (0.27 0.33 0.64) = 28.550% kept HB ILE 100 - HG3 MET 118 10.000% * 8.8892% (0.26 0.11 0.02) = 8.889% kept HG3 LYS+ 78 - HG3 MET 118 10.000% * 2.0193% (0.31 0.02 0.02) = 2.019% kept HG12 ILE 101 - HG3 MET 118 10.000% * 1.6904% (0.26 0.02 0.02) = 1.690% kept HB2 LEU 67 - HG3 MET 118 10.000% * 1.6904% (0.26 0.02 0.02) = 1.690% kept HG LEU 23 - HG3 MET 118 10.000% * 1.5466% (0.24 0.02 0.02) = 1.547% kept HB3 LEU 17 - HG3 MET 118 10.000% * 1.3901% (0.22 0.02 0.02) = 1.390% kept HD3 LYS+ 32 - HG3 MET 118 10.000% * 1.1458% (0.18 0.02 0.02) = 1.146% kept HB3 LYS+ 32 - HG3 MET 118 10.000% * 0.3123% (0.05 0.02 0.02) = 0.312% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2117 (0.94, 1.97, 31.80 ppm): 10 chemical-shift based assignments, quality = 0.536, support = 2.07, residual support = 16.3: O QG2 VAL 73 - HB VAL 73 10.000% * 82.3296% (0.51 10.0 2.18 17.94) = 82.330% kept HG LEU 74 - HB VAL 73 10.000% * 11.6343% (0.64 1.0 2.23 11.82) = 11.634% kept QG2 VAL 62 - HB VAL 73 10.000% * 3.1781% (0.86 1.0 0.45 0.15) = 3.178% kept HG12 ILE 68 - HB VAL 73 10.000% * 2.0845% (0.80 1.0 0.32 6.96) = 2.085% kept QG1 VAL 105 - HB VAL 73 10.000% * 0.1551% (0.96 1.0 0.02 0.02) = 0.155% QD1 LEU 17 - HB VAL 73 10.000% * 0.1534% (0.94 1.0 0.02 0.02) = 0.153% HG12 ILE 29 - HB VAL 73 10.000% * 0.1445% (0.89 1.0 0.02 0.02) = 0.144% QG2 ILE 29 - HB VAL 73 10.000% * 0.1307% (0.80 1.0 0.02 0.02) = 0.131% HG3 LYS+ 63 - HB VAL 73 10.000% * 0.1136% (0.70 1.0 0.02 0.02) = 0.114% QG2 VAL 99 - HB VAL 73 10.000% * 0.0762% (0.47 1.0 0.02 0.02) = 0.076% Peak 2119 (7.34, 1.87, 31.57 ppm): 7 chemical-shift based assignments, quality = 0.19, support = 3.37, residual support = 27.4: O HN ARG+ 84 - HB3 ARG+ 84 14.286% * 95.5180% (0.18 10.0 3.52 28.69) = 95.518% kept QE PHE 34 - HB3 ARG+ 84 14.286% * 3.7270% (0.45 1.0 0.32 0.02) = 3.727% kept HZ2 TRP 51 - HB3 ARG+ 84 14.286% * 0.2349% (0.45 1.0 0.02 0.02) = 0.235% HZ PHE 34 - HB3 ARG+ 84 14.286% * 0.2349% (0.45 1.0 0.02 0.02) = 0.235% QD PHE 34 - HB3 ARG+ 84 14.286% * 0.1239% (0.23 1.0 0.02 0.02) = 0.124% HN VAL 47 - HB3 ARG+ 84 14.286% * 0.1046% (0.20 1.0 0.02 0.02) = 0.105% HE22 GLN 102 - HB3 ARG+ 84 14.286% * 0.0567% (0.11 1.0 0.02 0.02) = 0.057% Peak 2120 (7.33, 1.77, 31.52 ppm): 12 chemical-shift based assignments, quality = 0.168, support = 3.55, residual support = 24.8: O HN ARG+ 84 - HB2 ARG+ 84 8.333% * 86.3400% (0.17 10.0 4.01 28.69) = 86.340% kept QE PHE 34 - HB3 GLU- 18 8.333% * 4.2174% (0.16 1.0 1.02 0.02) = 4.217% kept QE PHE 34 - HB2 ARG+ 84 8.333% * 2.4139% (0.30 1.0 0.32 0.02) = 2.414% kept QD PHE 34 - HB3 GLU- 18 8.333% * 2.1770% (0.11 1.0 0.77 0.02) = 2.177% kept HZ PHE 34 - HB3 GLU- 18 8.333% * 1.9267% (0.16 1.0 0.47 0.02) = 1.927% kept HZ2 TRP 51 - HB3 GLU- 18 8.333% * 1.8939% (0.16 1.0 0.46 0.12) = 1.894% kept HZ2 TRP 51 - HB2 ARG+ 84 8.333% * 0.5847% (0.30 1.0 0.08 0.02) = 0.585% HZ PHE 34 - HB2 ARG+ 84 8.333% * 0.1522% (0.30 1.0 0.02 0.02) = 0.152% QD PHE 34 - HB2 ARG+ 84 8.333% * 0.1048% (0.20 1.0 0.02 0.02) = 0.105% HN VAL 47 - HB2 ARG+ 84 8.333% * 0.0925% (0.18 1.0 0.02 0.02) = 0.092% HN VAL 47 - HB3 GLU- 18 8.333% * 0.0501% (0.10 1.0 0.02 0.02) = 0.050% HN ARG+ 84 - HB3 GLU- 18 8.333% * 0.0468% (0.09 1.0 0.02 0.02) = 0.047% Peak 2121 (4.79, 1.76, 31.40 ppm): 8 chemical-shift based assignments, quality = 0.239, support = 0.749, residual support = 0.808: HA LYS+ 113 - HB3 GLU- 18 12.500% * 67.9176% (0.30 0.87 0.92) = 67.918% kept HA GLU- 107 - HB3 GLU- 18 12.500% * 21.1325% (0.13 0.62 0.87) = 21.132% kept HA GLU- 107 - HB2 ARG+ 84 12.500% * 6.7748% (0.06 0.40 0.02) = 6.775% kept HA PRO 116 - HB3 GLU- 18 12.500% * 1.2636% (0.24 0.02 0.02) = 1.264% kept HA ASP- 115 - HB3 GLU- 18 12.500% * 1.0028% (0.19 0.02 0.02) = 1.003% kept HA LYS+ 113 - HB2 ARG+ 84 12.500% * 0.7794% (0.15 0.02 0.02) = 0.779% HA PRO 116 - HB2 ARG+ 84 12.500% * 0.6296% (0.12 0.02 0.02) = 0.630% HA ASP- 115 - HB2 ARG+ 84 12.500% * 0.4997% (0.10 0.02 0.02) = 0.500% Peak 2124 (4.29, 1.77, 31.45 ppm): 22 chemical-shift based assignments, quality = 0.127, support = 1.85, residual support = 21.0: O HA ARG+ 84 - HB2 ARG+ 84 4.545% * 70.6308% (0.11 10.0 2.23 28.69) = 70.631% kept HA SER 85 - HB2 ARG+ 84 4.545% * 8.6702% (0.13 1.0 2.00 8.68) = 8.670% kept HA LEU 90 - HB3 GLU- 18 4.545% * 5.6809% (0.28 1.0 0.60 0.02) = 5.681% kept HA PRO 104 - HB3 GLU- 18 4.545% * 3.6603% (0.17 1.0 0.63 0.02) = 3.660% kept HD3 PRO 59 - HB3 GLU- 18 4.545% * 3.3587% (0.19 1.0 0.54 0.02) = 3.359% kept HA LEU 90 - HB2 ARG+ 84 4.545% * 2.6332% (0.20 1.0 0.40 0.46) = 2.633% kept HA THR 106 - HB2 ARG+ 84 4.545% * 2.2823% (0.20 1.0 0.34 0.13) = 2.282% kept HA PRO 104 - HB2 ARG+ 84 4.545% * 1.7751% (0.12 1.0 0.44 0.02) = 1.775% kept HA THR 106 - HB3 GLU- 18 4.545% * 0.1922% (0.29 1.0 0.02 0.02) = 0.192% HA ALA 91 - HB3 GLU- 18 4.545% * 0.1323% (0.20 1.0 0.02 0.46) = 0.132% HA SER 85 - HB3 GLU- 18 4.545% * 0.1246% (0.19 1.0 0.02 0.02) = 0.125% HA PRO 52 - HB3 GLU- 18 4.545% * 0.1246% (0.19 1.0 0.02 0.02) = 0.125% HA VAL 65 - HB3 GLU- 18 4.545% * 0.1091% (0.16 1.0 0.02 0.02) = 0.109% HA ARG+ 84 - HB3 GLU- 18 4.545% * 0.1013% (0.15 1.0 0.02 0.02) = 0.101% HA ALA 91 - HB2 ARG+ 84 4.545% * 0.0922% (0.14 1.0 0.02 0.02) = 0.092% HD3 PRO 59 - HB2 ARG+ 84 4.545% * 0.0868% (0.13 1.0 0.02 0.02) = 0.087% HA PRO 52 - HB2 ARG+ 84 4.545% * 0.0868% (0.13 1.0 0.02 0.02) = 0.087% HA VAL 65 - HB2 ARG+ 84 4.545% * 0.0760% (0.11 1.0 0.02 0.02) = 0.076% HA ILE 29 - HB3 GLU- 18 4.545% * 0.0595% (0.09 1.0 0.02 0.02) = 0.059% HA GLU- 75 - HB3 GLU- 18 4.545% * 0.0480% (0.07 1.0 0.02 0.14) = 0.048% HA ILE 29 - HB2 ARG+ 84 4.545% * 0.0414% (0.06 1.0 0.02 0.02) = 0.041% HA GLU- 75 - HB2 ARG+ 84 4.545% * 0.0335% (0.05 1.0 0.02 0.02) = 0.033% Peak 2125 (4.27, 2.01, 31.57 ppm): 13 chemical-shift based assignments, quality = 0.0668, support = 0.292, residual support = 0.0986: HA GLU- 56 - HB VAL 73 7.692% * 63.6259% (0.06 0.45 0.13) = 63.626% kept HA ARG+ 84 - HB VAL 73 7.692% * 4.1331% (0.09 0.02 0.02) = 4.133% kept HA VAL 65 - HB VAL 73 7.692% * 4.1056% (0.09 0.02 0.02) = 4.106% kept HA PRO 52 - HB VAL 73 7.692% * 3.9976% (0.09 0.02 0.02) = 3.998% kept HA SER 85 - HB VAL 73 7.692% * 3.9976% (0.09 0.02 0.02) = 3.998% kept HD3 PRO 59 - HB VAL 73 7.692% * 3.9976% (0.09 0.02 0.02) = 3.998% kept HA ALA 91 - HB VAL 73 7.692% * 3.9184% (0.09 0.02 0.02) = 3.918% kept HA GLU- 75 - HB VAL 73 7.692% * 3.7149% (0.08 0.02 0.32) = 3.715% kept HA2 GLY 114 - HB VAL 73 7.692% * 2.3452% (0.05 0.02 0.02) = 2.345% kept HA THR 106 - HB VAL 73 7.692% * 2.1793% (0.05 0.02 0.02) = 2.179% kept HA LEU 90 - HB VAL 73 7.692% * 1.5546% (0.03 0.02 0.02) = 1.555% kept HA LYS+ 108 - HB VAL 73 7.692% * 1.2785% (0.03 0.02 0.02) = 1.279% kept HA PRO 59 - HB VAL 73 7.692% * 1.1517% (0.02 0.02 0.02) = 1.152% kept Not enough quality. Peak unassigned. 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): 12 chemical-shift based assignments, quality = 0.227, support = 1.5, residual support = 25.9: O T HD3 ARG+ 84 - HB2 ARG+ 84 8.333% * 90.0643% (0.25 10.0 10.00 1.59 28.69) = 90.064% kept T HA1 GLY 58 - HB3 GLU- 18 8.333% * 6.2347% (0.03 1.0 10.00 1.07 1.44) = 6.235% kept T HD3 ARG+ 84 - HB3 GLU- 18 8.333% * 2.0879% (0.10 1.0 10.00 0.11 0.02) = 2.088% kept T HD2 ARG+ 53 - HB2 ARG+ 84 8.333% * 0.8482% (0.23 1.0 10.00 0.02 0.02) = 0.848% T HD2 ARG+ 53 - HB3 GLU- 18 8.333% * 0.3449% (0.09 1.0 10.00 0.02 0.02) = 0.345% HB3 PHE 34 - HB2 ARG+ 84 8.333% * 0.1240% (0.34 1.0 1.00 0.02 0.02) = 0.124% HD3 PRO 35 - HB2 ARG+ 84 8.333% * 0.1050% (0.29 1.0 1.00 0.02 0.02) = 0.105% HB3 PHE 34 - HB3 GLU- 18 8.333% * 0.0504% (0.14 1.0 1.00 0.02 0.02) = 0.050% HB3 HIS+ 98 - HB2 ARG+ 84 8.333% * 0.0492% (0.14 1.0 1.00 0.02 0.02) = 0.049% HD3 PRO 35 - HB3 GLU- 18 8.333% * 0.0427% (0.12 1.0 1.00 0.02 0.02) = 0.043% HA1 GLY 58 - HB2 ARG+ 84 8.333% * 0.0286% (0.08 1.0 1.00 0.02 0.02) = 0.029% HB3 HIS+ 98 - HB3 GLU- 18 8.333% * 0.0200% (0.05 1.0 1.00 0.02 0.37) = 0.020% Peak 2129 (2.20, 1.77, 31.42 ppm): 32 chemical-shift based assignments, quality = 0.17, support = 1.82, residual support = 23.8: O HG3 GLU- 18 - HB3 GLU- 18 3.125% * 88.1940% (0.16 10.0 1.99 26.94) = 88.194% kept HG3 GLU- 54 - HB3 GLU- 18 3.125% * 4.1136% (0.33 1.0 0.46 0.02) = 4.114% kept HA1 GLY 58 - HB3 GLU- 18 3.125% * 3.2311% (0.11 1.0 1.07 1.44) = 3.231% kept HB2 LYS+ 113 - HB3 GLU- 18 3.125% * 2.6302% (0.33 1.0 0.29 0.92) = 2.630% kept HG2 MET 126 - HB3 GLU- 18 3.125% * 0.1631% (0.30 1.0 0.02 0.02) = 0.163% HG3 MET 126 - HB3 GLU- 18 3.125% * 0.1390% (0.26 1.0 0.02 0.02) = 0.139% HB VAL 99 - HB3 GLU- 18 3.125% * 0.1250% (0.23 1.0 0.02 0.02) = 0.125% HG3 GLU- 109 - HB3 GLU- 18 3.125% * 0.1250% (0.23 1.0 0.02 0.02) = 0.125% HB2 GLU- 50 - HB3 GLU- 18 3.125% * 0.1030% (0.19 1.0 0.02 0.14) = 0.103% HG3 GLU- 107 - HB3 GLU- 18 3.125% * 0.0957% (0.18 1.0 0.02 0.87) = 0.096% HB2 LYS+ 113 - HB2 ARG+ 84 3.125% * 0.0931% (0.17 1.0 0.02 0.02) = 0.093% HG3 GLU- 54 - HB2 ARG+ 84 3.125% * 0.0931% (0.17 1.0 0.02 0.02) = 0.093% HG2 MET 126 - HB2 ARG+ 84 3.125% * 0.0842% (0.15 1.0 0.02 0.02) = 0.084% HG3 MET 126 - HB2 ARG+ 84 3.125% * 0.0718% (0.13 1.0 0.02 0.02) = 0.072% HB3 PRO 104 - HB3 GLU- 18 3.125% * 0.0683% (0.13 1.0 0.02 0.02) = 0.068% HG3 GLU- 109 - HB2 ARG+ 84 3.125% * 0.0645% (0.12 1.0 0.02 0.02) = 0.065% HB VAL 99 - HB2 ARG+ 84 3.125% * 0.0645% (0.12 1.0 0.02 0.02) = 0.065% HG3 MET 118 - HB3 GLU- 18 3.125% * 0.0621% (0.11 1.0 0.02 0.02) = 0.062% HB2 GLU- 50 - HB2 ARG+ 84 3.125% * 0.0532% (0.10 1.0 0.02 0.02) = 0.053% HG3 GLU- 107 - HB2 ARG+ 84 3.125% * 0.0494% (0.09 1.0 0.02 0.02) = 0.049% HG3 GLU- 18 - HB2 ARG+ 84 3.125% * 0.0457% (0.08 1.0 0.02 0.02) = 0.046% HB3 PRO 52 - HB3 GLU- 18 3.125% * 0.0454% (0.08 1.0 0.02 0.02) = 0.045% HB2 ASP- 82 - HB3 GLU- 18 3.125% * 0.0405% (0.07 1.0 0.02 0.02) = 0.040% HG2 GLN 102 - HB3 GLU- 18 3.125% * 0.0360% (0.07 1.0 0.02 1.52) = 0.036% HB3 PRO 104 - HB2 ARG+ 84 3.125% * 0.0353% (0.06 1.0 0.02 0.02) = 0.035% HG3 MET 118 - HB2 ARG+ 84 3.125% * 0.0320% (0.06 1.0 0.02 0.02) = 0.032% HB3 GLU- 75 - HB3 GLU- 18 3.125% * 0.0312% (0.06 1.0 0.02 0.14) = 0.031% HA1 GLY 58 - HB2 ARG+ 84 3.125% * 0.0312% (0.06 1.0 0.02 0.02) = 0.031% HB3 PRO 52 - HB2 ARG+ 84 3.125% * 0.0234% (0.04 1.0 0.02 0.02) = 0.023% HB2 ASP- 82 - HB2 ARG+ 84 3.125% * 0.0209% (0.04 1.0 0.02 1.10) = 0.021% HG2 GLN 102 - HB2 ARG+ 84 3.125% * 0.0186% (0.03 1.0 0.02 0.02) = 0.019% HB3 GLU- 75 - HB2 ARG+ 84 3.125% * 0.0161% (0.03 1.0 0.02 0.02) = 0.016% Peak 2130 (2.05, 1.77, 31.43 ppm): 26 chemical-shift based assignments, quality = 0.147, support = 0.613, residual support = 0.151: T HB VAL 62 - HB2 ARG+ 84 3.846% * 54.7572% (0.17 10.00 0.92 0.23) = 54.757% kept T HG3 PRO 86 - HB2 ARG+ 84 3.846% * 12.9729% (0.17 10.00 0.22 0.02) = 12.973% kept T HB3 PRO 31 - HB3 GLU- 18 3.846% * 12.3055% (0.09 10.00 0.39 0.13) = 12.305% kept T HB2 PRO 112 - HB3 GLU- 18 3.846% * 6.5132% (0.06 10.00 0.29 0.02) = 6.513% kept T HB3 PRO 112 - HB3 GLU- 18 3.846% * 5.0782% (0.05 10.00 0.29 0.02) = 5.078% kept T HB VAL 62 - HB3 GLU- 18 3.846% * 2.1773% (0.32 10.00 0.02 0.02) = 2.177% kept T HB3 LYS+ 110 - HB3 GLU- 18 3.846% * 1.8066% (0.26 10.00 0.02 0.02) = 1.807% kept T HB3 LYS+ 110 - HB2 ARG+ 84 3.846% * 0.9915% (0.14 10.00 0.02 0.02) = 0.992% HG3 ARG+ 53 - HB3 GLU- 18 3.846% * 0.8086% (0.12 1.00 0.19 0.02) = 0.809% T HG3 ARG+ 53 - HB2 ARG+ 84 3.846% * 0.4647% (0.07 10.00 0.02 0.02) = 0.465% T HB3 PRO 31 - HB2 ARG+ 84 3.846% * 0.3443% (0.05 10.00 0.02 0.02) = 0.344% T HB2 PRO 112 - HB2 ARG+ 84 3.846% * 0.2451% (0.04 10.00 0.02 0.02) = 0.245% HB2 GLU- 45 - HB3 GLU- 18 3.846% * 0.2211% (0.32 1.00 0.02 0.02) = 0.221% HG3 PRO 86 - HB3 GLU- 18 3.846% * 0.2177% (0.32 1.00 0.02 0.02) = 0.218% T HB3 PRO 112 - HB2 ARG+ 84 3.846% * 0.1911% (0.03 10.00 0.02 0.02) = 0.191% HB3 GLU- 75 - HB3 GLU- 18 3.846% * 0.1569% (0.23 1.00 0.02 0.14) = 0.157% HB3 GLU- 107 - HB3 GLU- 18 3.846% * 0.1459% (0.21 1.00 0.02 0.87) = 0.146% HB2 GLU- 45 - HB2 ARG+ 84 3.846% * 0.1214% (0.18 1.00 0.02 0.02) = 0.121% HB3 GLU- 45 - HB3 GLU- 18 3.846% * 0.1098% (0.16 1.00 0.02 0.02) = 0.110% HB3 GLU- 75 - HB2 ARG+ 84 3.846% * 0.0861% (0.12 1.00 0.02 0.02) = 0.086% HB3 GLU- 107 - HB2 ARG+ 84 3.846% * 0.0801% (0.12 1.00 0.02 0.02) = 0.080% HB2 LYS+ 44 - HB3 GLU- 18 3.846% * 0.0627% (0.09 1.00 0.02 0.02) = 0.063% HB3 GLU- 45 - HB2 ARG+ 84 3.846% * 0.0603% (0.09 1.00 0.02 0.02) = 0.060% HB2 LYS+ 44 - HB2 ARG+ 84 3.846% * 0.0344% (0.05 1.00 0.02 0.02) = 0.034% HG2 PRO 116 - HB3 GLU- 18 3.846% * 0.0305% (0.04 1.00 0.02 0.02) = 0.031% HG2 PRO 116 - HB2 ARG+ 84 3.846% * 0.0168% (0.02 1.00 0.02 0.02) = 0.017% Not enough quality. Peak unassigned. Peak 2132 (1.78, 2.01, 31.43 ppm): 13 chemical-shift based assignments, quality = 0.248, support = 1.1, residual support = 25.8: O HB3 GLU- 18 - HB2 GLU- 18 7.692% * 95.6279% (0.25 10.0 1.15 26.94) = 95.628% kept HG2 PRO 31 - HB2 GLU- 18 7.692% * 2.8361% (0.33 1.0 0.26 0.13) = 2.836% kept HB3 PRO 116 - HB2 GLU- 18 7.692% * 0.2185% (0.33 1.0 0.02 0.02) = 0.218% HB3 LYS+ 63 - HB2 GLU- 18 7.692% * 0.2066% (0.31 1.0 0.02 0.02) = 0.207% HB3 LYS+ 113 - HB2 GLU- 18 7.692% * 0.1749% (0.26 1.0 0.02 0.92) = 0.175% HB2 LYS+ 117 - HB2 GLU- 18 7.692% * 0.1749% (0.26 1.0 0.02 0.02) = 0.175% HB3 LYS+ 108 - HB2 GLU- 18 7.692% * 0.1669% (0.25 1.0 0.02 0.02) = 0.167% HB3 ARG+ 53 - HB2 GLU- 18 7.692% * 0.1669% (0.25 1.0 0.02 0.02) = 0.167% HB3 LYS+ 117 - HB2 GLU- 18 7.692% * 0.1586% (0.24 1.0 0.02 0.02) = 0.159% HB3 LYS+ 44 - HB2 GLU- 18 7.692% * 0.1325% (0.20 1.0 0.02 0.02) = 0.132% HB2 ARG+ 84 - HB2 GLU- 18 7.692% * 0.0545% (0.08 1.0 0.02 0.02) = 0.054% HB2 GLU- 109 - HB2 GLU- 18 7.692% * 0.0432% (0.06 1.0 0.02 0.02) = 0.043% HB VAL 94 - HB2 GLU- 18 7.692% * 0.0383% (0.06 1.0 0.02 0.02) = 0.038% Peak 2133 (1.12, 4.36, 72.96 ppm): 7 chemical-shift based assignments, quality = 0.231, support = 1.8, residual support = 14.9: O QG2 THR 61 - HB THR 61 14.286% * 91.2382% (0.22 10.0 1.90 16.30) = 91.238% kept HG LEU 74 - HB THR 61 14.286% * 6.6967% (0.34 1.0 0.90 0.26) = 6.697% kept QG2 THR 96 - HB THR 61 14.286% * 1.7051% (0.34 1.0 0.23 2.44) = 1.705% kept HD3 LYS+ 111 - HB THR 61 14.286% * 0.1189% (0.27 1.0 0.02 0.02) = 0.119% QB ALA 33 - HB THR 61 14.286% * 0.1020% (0.24 1.0 0.02 0.02) = 0.102% HG3 LYS+ 32 - HB THR 61 14.286% * 0.1020% (0.24 1.0 0.02 0.02) = 0.102% QG2 THR 79 - HB THR 61 14.286% * 0.0370% (0.09 1.0 0.02 0.02) = 0.037% Peak 2134 (0.96, 4.36, 72.99 ppm): 9 chemical-shift based assignments, quality = 0.233, support = 1.18, residual support = 6.57: QG2 VAL 62 - HB THR 61 11.111% * 44.7498% (0.21 1.73 13.30) = 44.750% kept HG LEU 74 - HB THR 61 11.111% * 30.1823% (0.26 0.90 0.26) = 30.182% kept HG3 LYS+ 63 - HB THR 61 11.111% * 22.1014% (0.28 0.63 2.43) = 22.101% kept QG2 VAL 99 - HB THR 61 11.111% * 0.8667% (0.34 0.02 0.02) = 0.867% HG12 ILE 68 - HB THR 61 11.111% * 0.5927% (0.23 0.02 0.02) = 0.593% QG2 ILE 29 - HB THR 61 11.111% * 0.5927% (0.23 0.02 0.02) = 0.593% HG12 ILE 29 - HB THR 61 11.111% * 0.4820% (0.19 0.02 0.02) = 0.482% QG1 VAL 105 - HB THR 61 11.111% * 0.2285% (0.09 0.02 0.02) = 0.228% QD1 LEU 17 - HB THR 61 11.111% * 0.2040% (0.08 0.02 0.02) = 0.204% Peak 2135 (0.83, 1.77, 31.44 ppm): 24 chemical-shift based assignments, quality = 0.213, support = 1.19, residual support = 8.08: QD2 LEU 17 - HB3 GLU- 18 4.167% * 38.8092% (0.25 1.96 19.06) = 38.809% kept HG2 LYS+ 113 - HB3 GLU- 18 4.167% * 14.0311% (0.31 0.55 0.92) = 14.031% kept HG3 LYS+ 113 - HB3 GLU- 18 4.167% * 13.3732% (0.28 0.60 0.92) = 13.373% kept HG LEU 74 - HB3 GLU- 18 4.167% * 13.0684% (0.12 1.37 2.48) = 13.068% kept QD2 LEU 17 - HB2 ARG+ 84 4.167% * 6.6157% (0.13 0.61 0.11) = 6.616% kept HG LEU 74 - HB2 ARG+ 84 4.167% * 4.4884% (0.06 0.87 2.19) = 4.488% kept HG2 LYS+ 117 - HB3 GLU- 18 4.167% * 3.3397% (0.17 0.24 0.02) = 3.340% kept QD1 ILE 29 - HB2 ARG+ 84 4.167% * 1.9041% (0.16 0.14 0.02) = 1.904% kept QD2 LEU 67 - HB2 ARG+ 84 4.167% * 1.0641% (0.07 0.20 0.27) = 1.064% kept QD1 ILE 29 - HB3 GLU- 18 4.167% * 0.4902% (0.30 0.02 0.02) = 0.490% QG1 VAL 94 - HB3 GLU- 18 4.167% * 0.4902% (0.30 0.02 0.02) = 0.490% QD2 LEU 90 - HB3 GLU- 18 4.167% * 0.3352% (0.21 0.02 0.02) = 0.335% HG2 LYS+ 113 - HB2 ARG+ 84 4.167% * 0.2763% (0.17 0.02 0.02) = 0.276% QG1 VAL 94 - HB2 ARG+ 84 4.167% * 0.2666% (0.16 0.02 0.02) = 0.267% HG3 LYS+ 113 - HB2 ARG+ 84 4.167% * 0.2445% (0.15 0.02 0.02) = 0.245% QD2 LEU 67 - HB3 GLU- 18 4.167% * 0.1945% (0.12 0.02 0.02) = 0.194% HG3 LYS+ 117 - HB3 GLU- 18 4.167% * 0.1945% (0.12 0.02 0.02) = 0.194% QD2 LEU 90 - HB2 ARG+ 84 4.167% * 0.1823% (0.11 0.02 0.46) = 0.182% HG2 LYS+ 117 - HB2 ARG+ 84 4.167% * 0.1483% (0.09 0.02 0.02) = 0.148% HB ILE 101 - HB3 GLU- 18 4.167% * 0.1292% (0.08 0.02 0.93) = 0.129% QB ALA 93 - HB3 GLU- 18 4.167% * 0.1154% (0.07 0.02 0.02) = 0.115% HG3 LYS+ 117 - HB2 ARG+ 84 4.167% * 0.1058% (0.07 0.02 0.02) = 0.106% HB ILE 101 - HB2 ARG+ 84 4.167% * 0.0703% (0.04 0.02 0.02) = 0.070% QB ALA 93 - HB2 ARG+ 84 4.167% * 0.0628% (0.04 0.02 0.02) = 0.063% Peak 2136 (0.71, 2.02, 31.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2137 (8.72, 2.49, 31.14 ppm): 3 chemical-shift based assignments, quality = 0.355, support = 3.93, residual support = 21.4: O HN VAL 40 - HB VAL 40 33.333% * 98.9558% (0.36 10.0 3.97 21.63) = 98.956% kept HN ILE 101 - HB VAL 40 33.333% * 0.9173% (0.44 1.0 0.15 0.02) = 0.917% HN GLU- 56 - HB VAL 40 33.333% * 0.1269% (0.46 1.0 0.02 0.02) = 0.127% Peak 2138 (8.19, 1.72, 31.20 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2140 (7.33, 2.15, 31.04 ppm): 6 chemical-shift based assignments, quality = 0.246, support = 4.23, residual support = 35.0: O HN VAL 47 - HB VAL 47 16.667% * 92.9879% (0.25 10.0 4.51 37.60) = 92.988% kept QD PHE 34 - HB VAL 47 16.667% * 3.0842% (0.26 1.0 0.62 0.02) = 3.084% kept HZ PHE 34 - HB VAL 47 16.667% * 2.0135% (0.28 1.0 0.38 0.02) = 2.013% kept HN ARG+ 84 - HB VAL 47 16.667% * 1.3261% (0.24 1.0 0.30 0.02) = 1.326% kept QE PHE 34 - HB VAL 47 16.667% * 0.4831% (0.28 1.0 0.09 0.02) = 0.483% HZ2 TRP 51 - HB VAL 47 16.667% * 0.1053% (0.28 1.0 0.02 3.01) = 0.105% Peak 2141 (4.71, 1.72, 31.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2142 (4.69, 1.89, 31.14 ppm): 10 chemical-shift based assignments, quality = 0.114, support = 0.02, residual support = 0.02: HA THR 61 - HB3 GLU- 56 10.000% * 18.1895% (0.16 0.02 0.02) = 18.189% kept HA ASN 119 - HB3 GLU- 56 10.000% * 16.9033% (0.15 0.02 0.02) = 16.903% kept HA ASN 89 - HB3 GLU- 56 10.000% * 16.3492% (0.15 0.02 0.02) = 16.349% kept HA THR 61 - HB3 GLN 102 10.000% * 9.4303% (0.08 0.02 0.02) = 9.430% kept HA TYR 83 - HB3 GLU- 56 10.000% * 9.1742% (0.08 0.02 0.02) = 9.174% kept HA ASN 119 - HB3 GLN 102 10.000% * 8.7635% (0.08 0.02 0.02) = 8.764% kept HA ASN 89 - HB3 GLN 102 10.000% * 8.4762% (0.08 0.02 0.02) = 8.476% kept HA2 GLY 30 - HB3 GLU- 56 10.000% * 5.2404% (0.05 0.02 0.02) = 5.240% kept HA TYR 83 - HB3 GLN 102 10.000% * 4.7564% (0.04 0.02 0.02) = 4.756% kept HA2 GLY 30 - HB3 GLN 102 10.000% * 2.7169% (0.02 0.02 0.02) = 2.717% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2143 (4.26, 2.48, 31.16 ppm): 15 chemical-shift based assignments, quality = 0.369, support = 0.59, residual support = 0.658: HA GLU- 18 - HB VAL 40 6.667% * 32.6688% (0.10 1.45 1.97) = 32.669% kept HA PRO 59 - HB VAL 40 6.667% * 32.0755% (0.45 0.32 0.02) = 32.075% kept HD3 PRO 59 - HB VAL 40 6.667% * 9.8000% (0.51 0.09 0.02) = 9.800% kept HA GLU- 75 - HB VAL 40 6.667% * 3.2936% (0.74 0.02 0.02) = 3.294% kept HA GLU- 56 - HB VAL 40 6.667% * 3.2069% (0.72 0.02 0.02) = 3.207% kept HA2 GLY 114 - HB VAL 40 6.667% * 2.9802% (0.67 0.02 0.02) = 2.980% kept HA ARG+ 84 - HB VAL 40 6.667% * 2.6608% (0.60 0.02 0.02) = 2.661% kept HA VAL 65 - HB VAL 40 6.667% * 2.5395% (0.57 0.02 0.02) = 2.540% kept HA SER 85 - HB VAL 40 6.667% * 2.2826% (0.51 0.02 0.02) = 2.283% kept HA PRO 52 - HB VAL 40 6.667% * 2.2826% (0.51 0.02 0.02) = 2.283% kept HA LYS+ 108 - HB VAL 40 6.667% * 2.1497% (0.48 0.02 0.02) = 2.150% kept HA ALA 91 - HB VAL 40 6.667% * 2.1497% (0.48 0.02 0.02) = 2.150% kept HA THR 106 - HB VAL 40 6.667% * 0.7398% (0.17 0.02 0.02) = 0.740% HA GLU- 54 - HB VAL 40 6.667% * 0.6576% (0.15 0.02 0.02) = 0.658% HA SER 49 - HB VAL 40 6.667% * 0.5127% (0.11 0.02 0.02) = 0.513% Peak 2144 (2.21, 1.74, 31.32 ppm): 14 chemical-shift based assignments, quality = 0.116, support = 1.91, residual support = 25.5: O HG3 GLU- 18 - HB3 GLU- 18 7.143% * 94.5219% (0.12 10.0 1.99 26.94) = 94.522% kept HA1 GLY 58 - HB3 GLU- 18 7.143% * 1.9372% (0.05 1.0 1.07 1.44) = 1.937% kept HG3 GLU- 54 - HB3 GLU- 18 7.143% * 1.8781% (0.10 1.0 0.46 0.02) = 1.878% kept HB2 LYS+ 113 - HB3 GLU- 18 7.143% * 0.9701% (0.08 1.0 0.29 0.92) = 0.970% HG3 MET 126 - HB3 GLU- 18 7.143% * 0.1026% (0.13 1.0 0.02 0.02) = 0.103% HG3 GLU- 109 - HB3 GLU- 18 7.143% * 0.1026% (0.13 1.0 0.02 0.02) = 0.103% HB2 GLU- 50 - HB3 GLU- 18 7.143% * 0.0992% (0.13 1.0 0.02 0.14) = 0.099% HG3 GLU- 107 - HB3 GLU- 18 7.143% * 0.0972% (0.12 1.0 0.02 0.87) = 0.097% HG3 MET 118 - HB3 GLU- 18 7.143% * 0.0823% (0.10 1.0 0.02 0.02) = 0.082% HB3 PRO 52 - HB3 GLU- 18 7.143% * 0.0706% (0.09 1.0 0.02 0.02) = 0.071% HG2 MET 126 - HB3 GLU- 18 7.143% * 0.0461% (0.06 1.0 0.02 0.02) = 0.046% HG3 GLU- 75 - HB3 GLU- 18 7.143% * 0.0461% (0.06 1.0 0.02 0.14) = 0.046% HB VAL 99 - HB3 GLU- 18 7.143% * 0.0256% (0.03 1.0 0.02 0.02) = 0.026% HG2 GLU- 56 - HB3 GLU- 18 7.143% * 0.0203% (0.03 1.0 0.02 0.02) = 0.020% Peak 2145 (1.77, 1.76, 31.32 ppm): 1 diagonal assignment: HB3 GLU- 18 - HB3 GLU- 18 (0.54) kept Peak 2146 (1.75, 1.88, 31.12 ppm): 5 chemical-shift based assignments, quality = 0.027, support = 0.279, residual support = 0.773: HB3 GLU- 50 - HB3 GLN 102 20.000% * 40.7796% (0.03 0.32 0.32) = 40.780% kept HB3 GLU- 18 - HB3 GLN 102 20.000% * 38.7489% (0.02 0.36 1.52) = 38.749% kept HB3 ARG+ 53 - HB3 GLN 102 20.000% * 9.7493% (0.02 0.09 0.52) = 9.749% kept HB VAL 94 - HB3 GLN 102 20.000% * 5.5576% (0.06 0.02 0.02) = 5.558% kept HB2 ARG+ 84 - HB3 GLN 102 20.000% * 5.1646% (0.05 0.02 0.02) = 5.165% kept Not enough quality. Peak unassigned. 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 = 0.0806, support = 1.03, residual support = 1.85: HG LEU 74 - HB3 GLU- 18 12.500% * 74.5340% (0.05 1.37 2.48) = 74.534% kept HG LEU 43 - HB3 GLU- 18 12.500% * 5.9166% (0.25 0.02 0.02) = 5.917% kept QG2 VAL 80 - HB3 GLU- 18 12.500% * 5.0083% (0.21 0.02 0.02) = 5.008% kept HG3 LYS+ 72 - HB3 GLU- 18 12.500% * 4.2963% (0.18 0.02 0.02) = 4.296% kept HB2 LYS+ 72 - HB3 GLU- 18 12.500% * 3.5411% (0.15 0.02 0.02) = 3.541% kept HD3 LYS+ 108 - HB3 GLU- 18 12.500% * 2.8041% (0.12 0.02 0.02) = 2.804% kept HB3 LEU 23 - HB3 GLU- 18 12.500% * 2.8041% (0.12 0.02 0.02) = 2.804% kept QG2 THR 24 - HB3 GLU- 18 12.500% * 1.0954% (0.05 0.02 0.02) = 1.095% kept Not enough quality. Peak unassigned. Peak 2149 (1.15, 1.72, 31.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2150 (0.90, 2.48, 31.14 ppm): 13 chemical-shift based assignments, quality = 0.276, support = 2.2, residual support = 20.3: O QG1 VAL 40 - HB VAL 40 7.692% * 93.8801% (0.28 10.0 2.32 21.63) = 93.880% kept HG LEU 74 - HB VAL 40 7.692% * 4.1718% (0.41 1.0 0.59 0.02) = 4.172% kept QG1 VAL 47 - HB VAL 40 7.692% * 0.2501% (0.73 1.0 0.02 0.02) = 0.250% QG2 VAL 105 - HB VAL 40 7.692% * 0.2496% (0.73 1.0 0.02 0.02) = 0.250% QD1 LEU 67 - HB VAL 40 7.692% * 0.2479% (0.73 1.0 0.02 0.02) = 0.248% QG2 VAL 87 - HB VAL 40 7.692% * 0.2452% (0.72 1.0 0.02 0.02) = 0.245% HG13 ILE 68 - HB VAL 40 7.692% * 0.2414% (0.71 1.0 0.02 0.02) = 0.241% QG1 VAL 80 - HB VAL 40 7.692% * 0.1912% (0.56 1.0 0.02 0.02) = 0.191% QG1 VAL 122 - HB VAL 40 7.692% * 0.1517% (0.44 1.0 0.02 0.02) = 0.152% QG2 VAL 73 - HB VAL 40 7.692% * 0.1121% (0.33 1.0 0.02 0.02) = 0.112% QG2 VAL 47 - HB VAL 40 7.692% * 0.1121% (0.33 1.0 0.02 0.02) = 0.112% QG2 VAL 125 - HB VAL 40 7.692% * 0.1028% (0.30 1.0 0.02 0.02) = 0.103% QG2 VAL 122 - HB VAL 40 7.692% * 0.0438% (0.13 1.0 0.02 0.02) = 0.044% Peak 2151 (0.73, 2.48, 31.15 ppm): 7 chemical-shift based assignments, quality = 0.56, support = 2.88, residual support = 21.0: O QG2 VAL 40 - HB VAL 40 14.286% * 96.9424% (0.56 10.0 2.96 21.63) = 96.942% kept QD1 ILE 68 - HB VAL 40 14.286% * 2.2125% (0.68 1.0 0.38 0.02) = 2.213% kept HG LEU 74 - HB VAL 40 14.286% * 0.6289% (0.12 1.0 0.59 0.02) = 0.629% HG3 LYS+ 66 - HB VAL 40 14.286% * 0.1145% (0.66 1.0 0.02 0.02) = 0.115% QG2 ILE 48 - HB VAL 40 14.286% * 0.0413% (0.24 1.0 0.02 0.02) = 0.041% QG2 ILE 101 - HB VAL 40 14.286% * 0.0302% (0.18 1.0 0.02 0.02) = 0.030% HG3 LYS+ 44 - HB VAL 40 14.286% * 0.0302% (0.18 1.0 0.02 0.02) = 0.030% Peak 2153 (8.92, 1.90, 30.88 ppm): 8 chemical-shift based assignments, quality = 0.416, support = 4.24, residual support = 23.9: O HN GLN 102 - HB3 GLN 102 12.500% * 99.3909% (0.42 10.0 4.26 24.03) = 99.391% kept HN PHE 21 - HB3 GLN 102 12.500% * 0.1070% (0.45 1.0 0.02 0.02) = 0.107% HN PHE 21 - HB3 GLU- 56 12.500% * 0.1024% (0.43 1.0 0.02 0.02) = 0.102% HN GLN 102 - HB3 GLU- 56 12.500% * 0.0952% (0.40 1.0 0.02 0.02) = 0.095% HN THR 96 - HB3 GLN 102 12.500% * 0.0847% (0.36 1.0 0.02 0.02) = 0.085% HN THR 96 - HB3 GLU- 56 12.500% * 0.0811% (0.34 1.0 0.02 0.02) = 0.081% HN ARG+ 22 - HB3 GLN 102 12.500% * 0.0709% (0.30 1.0 0.02 0.02) = 0.071% HN ARG+ 22 - HB3 GLU- 56 12.500% * 0.0679% (0.29 1.0 0.02 0.02) = 0.068% Peak 2154 (8.78, 2.11, 30.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2155 (8.77, 1.98, 30.81 ppm): 8 chemical-shift based assignments, quality = 0.175, support = 0.672, residual support = 0.189: HN THR 95 - HB2 GLU- 18 12.500% * 55.4753% (0.05 1.15 0.32) = 55.475% kept HN SER 69 - HB2 GLU- 18 12.500% * 9.6839% (0.04 0.27 0.02) = 9.684% kept HN PHE 34 - HB3 GLU- 109 12.500% * 9.5568% (0.49 0.02 0.02) = 9.557% kept HN THR 95 - HB3 GLU- 109 12.500% * 9.1617% (0.47 0.02 0.02) = 9.162% kept HN VAL 62 - HB3 GLU- 109 12.500% * 7.4016% (0.38 0.02 0.02) = 7.402% kept HN SER 69 - HB3 GLU- 109 12.500% * 6.9397% (0.36 0.02 0.02) = 6.940% kept HN PHE 34 - HB2 GLU- 18 12.500% * 1.0037% (0.05 0.02 0.02) = 1.004% kept HN VAL 62 - HB2 GLU- 18 12.500% * 0.7773% (0.04 0.02 0.02) = 0.777% Not enough quality. Peak unassigned. Peak 2157 (4.47, 1.90, 30.85 ppm): 18 chemical-shift based assignments, quality = 0.584, support = 1.69, residual support = 11.6: HA ILE 101 - HB3 GLN 102 5.556% * 57.3295% (0.62 2.48 20.00) = 57.330% kept HA ILE 100 - HB3 GLN 102 5.556% * 22.7102% (0.65 0.93 0.28) = 22.710% kept HA GLU- 50 - HB3 GLN 102 5.556% * 8.1546% (0.45 0.49 0.32) = 8.155% kept HA LYS+ 32 - HB3 GLN 102 5.556% * 5.4563% (0.76 0.19 0.21) = 5.456% kept HA GLU- 50 - HB3 GLU- 56 5.556% * 1.2820% (0.39 0.09 0.02) = 1.282% kept HA VAL 99 - HB3 GLN 102 5.556% * 0.9773% (0.32 0.08 0.02) = 0.977% HA PRO 86 - HB3 GLN 102 5.556% * 0.5310% (0.71 0.02 0.02) = 0.531% HA LYS+ 32 - HB3 GLU- 56 5.556% * 0.4946% (0.66 0.02 0.02) = 0.495% HA PRO 86 - HB3 GLU- 56 5.556% * 0.4607% (0.62 0.02 0.02) = 0.461% HA ILE 100 - HB3 GLU- 56 5.556% * 0.4215% (0.56 0.02 0.02) = 0.422% HA ILE 101 - HB3 GLU- 56 5.556% * 0.4005% (0.54 0.02 0.02) = 0.401% HA ASN 76 - HB3 GLN 102 5.556% * 0.3856% (0.52 0.02 0.02) = 0.386% HA ASN 76 - HB3 GLU- 56 5.556% * 0.3345% (0.45 0.02 0.02) = 0.335% HA CYS 123 - HB3 GLN 102 5.556% * 0.2613% (0.35 0.02 0.02) = 0.261% HA CYS 123 - HB3 GLU- 56 5.556% * 0.2267% (0.30 0.02 0.02) = 0.227% HA VAL 99 - HB3 GLU- 56 5.556% * 0.2070% (0.28 0.02 0.02) = 0.207% HA SER 77 - HB3 GLN 102 5.556% * 0.1962% (0.26 0.02 0.02) = 0.196% HA SER 77 - HB3 GLU- 56 5.556% * 0.1702% (0.23 0.02 0.02) = 0.170% Peak 2159 (2.33, 2.11, 30.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2161 (2.12, 2.12, 30.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2162 (2.01, 2.11, 30.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 4 chemical-shift based assignments, quality = 0.156, support = 1.46, residual support = 1.6: T HG LEU 74 - HB3 ARG+ 22 25.000% * 98.3877% (0.16 10.00 1.48 1.63) = 98.388% kept T HG LEU 90 - HB3 ARG+ 22 25.000% * 0.8517% (0.10 10.00 0.02 0.02) = 0.852% HB3 LEU 67 - HB3 ARG+ 22 25.000% * 0.4853% (0.58 1.00 0.02 0.02) = 0.485% QB ALA 70 - HB3 ARG+ 22 25.000% * 0.2753% (0.33 1.00 0.02 0.02) = 0.275% Not enough quality. Peak unassigned. 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): 12 chemical-shift based assignments, quality = 0.258, support = 3.09, residual support = 36.4: O QG1 VAL 47 - HB VAL 47 8.333% * 70.2587% (0.31 10.0 3.08 37.60) = 70.259% kept O QG2 VAL 47 - HB VAL 47 8.333% * 26.6043% (0.12 10.0 3.33 37.60) = 26.604% kept HG LEU 74 - HB VAL 47 8.333% * 2.6863% (0.18 1.0 1.34 0.85) = 2.686% kept QD1 LEU 67 - HB VAL 47 8.333% * 0.0709% (0.32 1.0 0.02 0.02) = 0.071% QG2 VAL 87 - HB VAL 47 8.333% * 0.0707% (0.32 1.0 0.02 0.02) = 0.071% HG13 ILE 68 - HB VAL 47 8.333% * 0.0703% (0.31 1.0 0.02 0.02) = 0.070% QG2 VAL 105 - HB VAL 47 8.333% * 0.0695% (0.31 1.0 0.02 0.02) = 0.069% QG1 VAL 80 - HB VAL 47 8.333% * 0.0487% (0.22 1.0 0.02 0.02) = 0.049% QG1 VAL 122 - HB VAL 47 8.333% * 0.0373% (0.17 1.0 0.02 0.02) = 0.037% QG2 VAL 73 - HB VAL 47 8.333% * 0.0373% (0.17 1.0 0.02 0.02) = 0.037% QG2 VAL 125 - HB VAL 47 8.333% * 0.0242% (0.11 1.0 0.02 0.02) = 0.024% QG1 VAL 40 - HB VAL 47 8.333% * 0.0219% (0.10 1.0 0.02 0.02) = 0.022% Peak 2170 (0.74, 2.15, 31.03 ppm): 7 chemical-shift based assignments, quality = 0.0787, support = 3.48, residual support = 13.6: QG2 ILE 48 - HB VAL 47 14.286% * 79.1765% (0.08 4.11 16.99) = 79.177% kept HG LEU 74 - HB VAL 47 14.286% * 16.4783% (0.05 1.34 0.85) = 16.478% kept HG3 LYS+ 66 - HB VAL 47 14.286% * 1.3581% (0.27 0.02 0.02) = 1.358% kept QD1 ILE 68 - HB VAL 47 14.286% * 1.2791% (0.26 0.02 0.02) = 1.279% kept QG2 VAL 40 - HB VAL 47 14.286% * 1.0061% (0.20 0.02 0.02) = 1.006% kept HG3 LYS+ 44 - HB VAL 47 14.286% * 0.4277% (0.09 0.02 0.02) = 0.428% QG2 ILE 101 - HB VAL 47 14.286% * 0.2742% (0.06 0.02 0.02) = 0.274% Peak 2171 (0.11, 2.15, 31.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2172 (8.39, 2.01, 30.52 ppm): 2 chemical-shift based assignments, quality = 0.0676, support = 2.24, residual support = 4.14: HN LYS+ 108 - HB3 GLU- 107 50.000% * 98.1196% (0.07 2.28 4.22) = 98.120% kept HN GLY 71 - HB3 GLU- 107 50.000% * 1.8804% (0.14 0.02 0.02) = 1.880% kept Peak 2173 (8.29, 1.93, 30.53 ppm): 12 chemical-shift based assignments, quality = 0.211, support = 0.259, residual support = 0.212: HN ASN 89 - HB3 GLU- 109 8.333% * 68.1145% (0.22 0.37 0.30) = 68.114% kept HN ASP- 28 - HB3 GLU- 109 8.333% * 5.0679% (0.30 0.02 0.02) = 5.068% kept HN VAL 99 - HB3 GLN 102 8.333% * 4.9542% (0.07 0.08 0.02) = 4.954% kept HN ASP- 28 - HB3 GLN 102 8.333% * 4.3113% (0.26 0.02 0.02) = 4.311% kept HN ALA 91 - HB3 GLU- 109 8.333% * 4.0943% (0.25 0.02 0.02) = 4.094% kept HN ALA 91 - HB3 GLN 102 8.333% * 3.4830% (0.21 0.02 0.02) = 3.483% kept HN ASN 89 - HB3 GLN 102 8.333% * 3.1586% (0.19 0.02 0.02) = 3.159% kept HN ASP- 28 - HB3 GLU- 56 8.333% * 1.9122% (0.11 0.02 0.02) = 1.912% kept HN ALA 91 - HB3 GLU- 56 8.333% * 1.5449% (0.09 0.02 0.02) = 1.545% kept HN VAL 99 - HB3 GLU- 109 8.333% * 1.4216% (0.09 0.02 0.02) = 1.422% kept HN ASN 89 - HB3 GLU- 56 8.333% * 1.4010% (0.08 0.02 0.02) = 1.401% kept HN VAL 99 - HB3 GLU- 56 8.333% * 0.5364% (0.03 0.02 0.02) = 0.536% Not enough total support, support cutoff is 0.50 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2178 (4.58, 3.03, 30.52 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2179 (4.27, 2.11, 30.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2181 (4.23, 1.91, 30.50 ppm): 12 chemical-shift based assignments, quality = 0.384, support = 0.555, residual support = 0.589: HA GLU- 18 - HB3 GLN 102 8.333% * 33.7607% (0.44 0.78 1.52) = 33.761% kept HA PRO 59 - HB3 GLN 102 8.333% * 19.1658% (0.29 0.68 0.26) = 19.166% kept HA SER 49 - HB3 GLN 102 8.333% * 19.0947% (0.44 0.44 0.02) = 19.095% kept HA GLU- 54 - HB3 GLN 102 8.333% * 14.9936% (0.44 0.35 0.13) = 14.994% kept HB3 SER 49 - HB3 GLN 102 8.333% * 8.9479% (0.32 0.28 0.02) = 8.948% kept HA GLU- 109 - HB3 GLN 102 8.333% * 1.4908% (0.14 0.11 0.10) = 1.491% kept HA ALA 42 - HB3 GLN 102 8.333% * 0.6979% (0.35 0.02 0.02) = 0.698% HA LYS+ 110 - HB3 GLN 102 8.333% * 0.6661% (0.34 0.02 1.48) = 0.666% HA LYS+ 108 - HB3 GLN 102 8.333% * 0.5286% (0.27 0.02 0.02) = 0.529% HA2 GLY 114 - HB3 GLN 102 8.333% * 0.2973% (0.15 0.02 0.02) = 0.297% HA GLU- 56 - HB3 GLN 102 8.333% * 0.2173% (0.11 0.02 0.02) = 0.217% HA LYS+ 44 - HB3 GLN 102 8.333% * 0.1395% (0.07 0.02 0.02) = 0.139% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2211 (2.24, 2.01, 30.52 ppm): 11 chemical-shift based assignments, quality = 0.252, support = 2.05, residual support = 8.72: O HG3 GLU- 107 - HB3 GLU- 107 9.091% * 98.8847% (0.25 10.0 2.08 8.82) = 98.885% kept HG3 GLU- 75 - HB3 GLU- 107 9.091% * 0.1731% (0.45 1.0 0.02 0.02) = 0.173% HG2 GLU- 56 - HB3 GLU- 107 9.091% * 0.1612% (0.42 1.0 0.02 0.02) = 0.161% HB3 PRO 52 - HB3 GLU- 107 9.091% * 0.1515% (0.39 1.0 0.02 0.02) = 0.152% HG3 MET 118 - HB3 GLU- 107 9.091% * 0.1335% (0.34 1.0 0.02 0.02) = 0.133% HG3 GLU- 18 - HB3 GLU- 107 9.091% * 0.1059% (0.27 1.0 0.02 0.87) = 0.106% HB VAL 80 - HB3 GLU- 107 9.091% * 0.0989% (0.25 1.0 0.02 0.02) = 0.099% HB2 GLU- 50 - HB3 GLU- 107 9.091% * 0.0919% (0.24 1.0 0.02 0.02) = 0.092% HG3 GLU- 109 - HB3 GLU- 107 9.091% * 0.0718% (0.19 1.0 0.02 0.02) = 0.072% HA1 GLY 58 - HB3 GLU- 107 9.091% * 0.0679% (0.17 1.0 0.02 0.02) = 0.068% HG3 MET 126 - HB3 GLU- 107 9.091% * 0.0596% (0.15 1.0 0.02 0.02) = 0.060% Peak 2212 (2.22, 1.92, 30.53 ppm): 42 chemical-shift based assignments, quality = 0.186, support = 1.71, residual support = 7.25: O HG3 GLU- 109 - HB3 GLU- 109 2.381% * 52.1066% (0.12 10.0 2.46 11.63) = 52.107% kept O HG2 GLU- 56 - HB3 GLU- 56 2.381% * 13.8649% (0.07 10.0 1.00 5.32) = 13.865% kept HG3 GLU- 18 - HB3 GLN 102 2.381% * 12.5853% (0.43 1.0 1.40 1.52) = 12.585% kept HG3 MET 126 - HB3 GLN 102 2.381% * 6.1528% (0.36 1.0 0.81 3.44) = 6.153% kept HB2 GLU- 50 - HB3 GLN 102 2.381% * 3.6375% (0.42 1.0 0.41 0.32) = 3.638% kept HG3 GLU- 109 - HB3 GLN 102 2.381% * 3.1151% (0.39 1.0 0.38 0.10) = 3.115% kept HG3 GLU- 54 - HB3 GLN 102 2.381% * 2.8603% (0.21 1.0 0.65 0.13) = 2.860% kept HA1 GLY 58 - HB3 GLU- 56 2.381% * 1.1615% (0.05 1.0 1.03 2.95) = 1.161% kept HB2 GLU- 50 - HB3 GLU- 109 2.381% * 1.0291% (0.13 1.0 0.37 0.02) = 1.029% kept HG3 GLU- 107 - HB3 GLN 102 2.381% * 0.9884% (0.43 1.0 0.11 0.02) = 0.988% HG3 MET 118 - HB3 GLN 102 2.381% * 0.9484% (0.43 1.0 0.11 0.02) = 0.948% HB3 PRO 52 - HB3 GLN 102 2.381% * 0.1721% (0.41 1.0 0.02 0.02) = 0.172% HG3 GLU- 75 - HB3 GLN 102 2.381% * 0.1391% (0.33 1.0 0.02 3.10) = 0.139% HG2 GLU- 56 - HB3 GLN 102 2.381% * 0.0816% (0.20 1.0 0.02 0.02) = 0.082% HA1 GLY 58 - HB3 GLN 102 2.381% * 0.0665% (0.16 1.0 0.02 0.02) = 0.067% HB2 LYS+ 113 - HB3 GLN 102 2.381% * 0.0621% (0.15 1.0 0.02 0.02) = 0.062% HG3 GLU- 18 - HB3 GLU- 56 2.381% * 0.0613% (0.15 1.0 0.02 0.02) = 0.061% HG3 MET 118 - HB3 GLU- 56 2.381% * 0.0613% (0.15 1.0 0.02 0.02) = 0.061% HG3 GLU- 107 - HB3 GLU- 56 2.381% * 0.0606% (0.14 1.0 0.02 0.02) = 0.061% HB2 GLU- 50 - HB3 GLU- 56 2.381% * 0.0597% (0.14 1.0 0.02 0.02) = 0.060% HB3 PRO 52 - HB3 GLU- 56 2.381% * 0.0585% (0.14 1.0 0.02 0.02) = 0.059% HG3 GLU- 18 - HB3 GLU- 109 2.381% * 0.0576% (0.14 1.0 0.02 0.02) = 0.058% HG3 MET 118 - HB3 GLU- 109 2.381% * 0.0576% (0.14 1.0 0.02 0.42) = 0.058% HG3 GLU- 107 - HB3 GLU- 109 2.381% * 0.0570% (0.14 1.0 0.02 0.02) = 0.057% HG3 GLU- 109 - HB3 GLU- 56 2.381% * 0.0555% (0.13 1.0 0.02 0.02) = 0.055% HB3 PRO 52 - HB3 GLU- 109 2.381% * 0.0550% (0.13 1.0 0.02 0.02) = 0.055% HG3 MET 126 - HB3 GLU- 56 2.381% * 0.0517% (0.12 1.0 0.02 0.02) = 0.052% HG3 MET 126 - HB3 GLU- 109 2.381% * 0.0485% (0.12 1.0 0.02 0.02) = 0.049% HG3 GLU- 75 - HB3 GLU- 56 2.381% * 0.0473% (0.11 1.0 0.02 0.02) = 0.047% HG3 GLU- 75 - HB3 GLU- 109 2.381% * 0.0444% (0.11 1.0 0.02 0.02) = 0.044% HG2 MET 126 - HB3 GLN 102 2.381% * 0.0360% (0.09 1.0 0.02 3.44) = 0.036% HG3 GLU- 54 - HB3 GLU- 56 2.381% * 0.0301% (0.07 1.0 0.02 0.29) = 0.030% HG3 GLU- 54 - HB3 GLU- 109 2.381% * 0.0283% (0.07 1.0 0.02 0.02) = 0.028% HB VAL 80 - HB3 GLN 102 2.381% * 0.0281% (0.07 1.0 0.02 0.02) = 0.028% HG2 GLU- 56 - HB3 GLU- 109 2.381% * 0.0260% (0.06 1.0 0.02 0.02) = 0.026% HA1 GLY 58 - HB3 GLU- 109 2.381% * 0.0212% (0.05 1.0 0.02 0.02) = 0.021% HB2 LYS+ 113 - HB3 GLU- 56 2.381% * 0.0211% (0.05 1.0 0.02 0.02) = 0.021% HB2 LYS+ 113 - HB3 GLU- 109 2.381% * 0.0198% (0.05 1.0 0.02 0.02) = 0.020% HG2 MET 126 - HB3 GLU- 56 2.381% * 0.0122% (0.03 1.0 0.02 0.02) = 0.012% HG2 MET 126 - HB3 GLU- 109 2.381% * 0.0115% (0.03 1.0 0.02 0.02) = 0.011% HB VAL 80 - HB3 GLU- 56 2.381% * 0.0095% (0.02 1.0 0.02 0.02) = 0.010% HB VAL 80 - HB3 GLU- 109 2.381% * 0.0090% (0.02 1.0 0.02 0.02) = 0.009% Peak 2222 (1.97, 2.01, 30.52 ppm): 9 chemical-shift based assignments, quality = 0.299, support = 0.524, residual support = 2.18: HB2 LYS+ 108 - HB3 GLU- 107 11.111% * 51.3634% (0.22 1.00 0.94 4.22) = 51.363% kept T HG3 PRO 104 - HB3 GLU- 107 11.111% * 21.3492% (0.42 10.00 0.02 0.02) = 21.349% kept HB3 GLU- 109 - HB3 GLU- 107 11.111% * 19.2739% (0.39 1.00 0.20 0.02) = 19.274% kept HB VAL 73 - HB3 GLU- 107 11.111% * 2.2122% (0.44 1.00 0.02 0.02) = 2.212% kept HB VAL 122 - HB3 GLU- 107 11.111% * 1.8851% (0.37 1.00 0.02 0.02) = 1.885% kept HG3 PRO 116 - HB3 GLU- 107 11.111% * 1.6388% (0.33 1.00 0.02 0.02) = 1.639% kept HG3 PRO 31 - HB3 GLU- 107 11.111% * 0.9278% (0.18 1.00 0.02 0.02) = 0.928% HB3 LYS+ 55 - HB3 GLU- 107 11.111% * 0.8470% (0.17 1.00 0.02 0.02) = 0.847% HB2 GLU- 75 - HB3 GLU- 107 11.111% * 0.5025% (0.10 1.00 0.02 0.02) = 0.502% Peak 2225 (1.93, 1.91, 30.52 ppm): 1 diagonal assignment: HB3 GLN 102 - HB3 GLN 102 (0.20) kept Peak 2244 (9.08, 1.90, 30.22 ppm): 2 chemical-shift based assignments, quality = 0.395, support = 0.206, residual support = 0.131: HN LYS+ 66 - HD3 LYS+ 63 50.000% * 92.5313% (0.40 0.22 0.13) = 92.531% kept HN GLU- 54 - HD3 LYS+ 63 50.000% * 7.4687% (0.36 0.02 0.19) = 7.469% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2245 (8.44, 1.90, 30.28 ppm): 12 chemical-shift based assignments, quality = 0.086, support = 1.99, residual support = 6.98: O HN GLU- 75 - HB2 GLU- 75 8.333% * 79.0581% (0.05 10.0 2.31 8.60) = 79.058% kept HN ARG+ 53 - HD3 LYS+ 63 8.333% * 13.7494% (0.29 1.0 0.66 0.02) = 13.749% kept HN LEU 74 - HB2 GLU- 75 8.333% * 5.4375% (0.05 1.0 1.43 3.20) = 5.437% kept HN CYS 123 - HD3 LYS+ 63 8.333% * 0.4040% (0.28 1.0 0.02 0.02) = 0.404% HN GLU- 75 - HD3 LYS+ 63 8.333% * 0.4040% (0.28 1.0 0.02 0.02) = 0.404% HN LEU 74 - HD3 LYS+ 63 8.333% * 0.3873% (0.27 1.0 0.02 1.82) = 0.387% HN LYS+ 113 - HD3 LYS+ 63 8.333% * 0.1988% (0.14 1.0 0.02 0.02) = 0.199% HN GLU- 107 - HD3 LYS+ 63 8.333% * 0.1345% (0.09 1.0 0.02 0.02) = 0.134% HN ARG+ 53 - HB2 GLU- 75 8.333% * 0.0821% (0.06 1.0 0.02 0.02) = 0.082% HN CYS 123 - HB2 GLU- 75 8.333% * 0.0791% (0.05 1.0 0.02 0.02) = 0.079% HN LYS+ 113 - HB2 GLU- 75 8.333% * 0.0389% (0.03 1.0 0.02 0.02) = 0.039% HN GLU- 107 - HB2 GLU- 75 8.333% * 0.0263% (0.02 1.0 0.02 0.02) = 0.026% 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): 8 chemical-shift based assignments, quality = 0.696, support = 3.13, residual support = 35.3: O HG3 LYS+ 20 - HD3 LYS+ 20 12.500% * 95.3459% (0.71 10.0 1.00 3.26 37.06) = 95.346% kept HG LEU 74 - HD3 LYS+ 20 12.500% * 2.8390% (0.67 1.0 1.00 0.63 0.02) = 2.839% kept T HG LEU 74 - HD3 LYS+ 113 12.500% * 1.6911% (0.26 1.0 10.00 0.10 0.30) = 1.691% kept HG13 ILE 100 - HD3 LYS+ 20 12.500% * 0.0406% (0.30 1.0 1.00 0.02 0.02) = 0.041% HG3 LYS+ 20 - HD3 LYS+ 113 12.500% * 0.0371% (0.27 1.0 1.00 0.02 0.02) = 0.037% QG1 VAL 99 - HD3 LYS+ 20 12.500% * 0.0220% (0.16 1.0 1.00 0.02 0.11) = 0.022% HG13 ILE 100 - HD3 LYS+ 113 12.500% * 0.0158% (0.12 1.0 1.00 0.02 0.20) = 0.016% QG1 VAL 99 - HD3 LYS+ 113 12.500% * 0.0086% (0.06 1.0 1.00 0.02 0.02) = 0.009% Peak 2267 (1.04, 1.40, 29.97 ppm): 8 chemical-shift based assignments, quality = 0.916, support = 3.16, residual support = 35.7: O HG3 LYS+ 20 - HD3 LYS+ 20 12.500% * 96.3721% (0.92 10.0 1.00 3.26 37.06) = 96.372% kept HG LEU 74 - HD3 LYS+ 20 12.500% * 2.9333% (0.90 1.0 1.00 0.63 0.02) = 2.933% kept T HG LEU 74 - HD3 LYS+ 113 12.500% * 0.6150% (0.12 1.0 10.00 0.10 0.30) = 0.615% HG13 ILE 100 - HD3 LYS+ 20 12.500% * 0.0382% (0.37 1.0 1.00 0.02 0.02) = 0.038% QG1 VAL 99 - HD3 LYS+ 20 12.500% * 0.0202% (0.19 1.0 1.00 0.02 0.11) = 0.020% HG3 LYS+ 20 - HD3 LYS+ 113 12.500% * 0.0132% (0.13 1.0 1.00 0.02 0.02) = 0.013% HG13 ILE 100 - HD3 LYS+ 113 12.500% * 0.0052% (0.05 1.0 1.00 0.02 0.20) = 0.005% QG1 VAL 99 - HD3 LYS+ 113 12.500% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2272 (7.21, 3.03, 29.45 ppm): 2 chemical-shift based assignments, quality = 0.834, support = 4.15, residual support = 56.1: O HN TRP 51 - HB2 TRP 51 50.000% * 91.0766% (0.86 10.0 4.28 56.12) = 91.077% kept HH2 TRP 51 - HB2 TRP 51 50.000% * 8.9234% (0.59 1.0 2.85 56.12) = 8.923% kept Peak 2273 (3.70, 3.70, 29.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2274 (3.70, 3.04, 29.47 ppm): 4 chemical-shift based assignments, quality = 0.551, support = 1.9, residual support = 3.62: HA ILE 48 - HB2 TRP 51 25.000% * 46.7699% (0.77 1.71 2.35) = 46.770% kept HD2 PRO 52 - HB2 TRP 51 25.000% * 36.5129% (0.41 2.52 6.78) = 36.513% kept HA LYS+ 81 - HB2 TRP 51 25.000% * 10.8538% (0.27 1.16 0.41) = 10.854% kept HA SER 27 - HB2 TRP 51 25.000% * 5.8633% (0.17 0.96 0.02) = 5.863% kept Peak 2275 (3.04, 3.70, 29.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2276 (2.89, 1.57, 29.33 ppm): 6 chemical-shift based assignments, quality = 0.0457, support = 0.856, residual support = 11.1: O T HE3 LYS+ 60 - HD3 LYS+ 60 16.667% * 74.2350% (0.02 10.0 10.00 1.00 14.74) = 74.235% kept HA1 GLY 58 - HD3 LYS+ 32 16.667% * 14.9459% (0.12 1.0 1.00 0.66 0.88) = 14.946% kept HB2 HIS+ 98 - HD3 LYS+ 32 16.667% * 4.8759% (0.17 1.0 1.00 0.15 0.02) = 4.876% kept HA1 GLY 58 - HD3 LYS+ 60 16.667% * 3.0594% (0.09 1.0 1.00 0.18 0.15) = 3.059% kept HB2 HIS+ 98 - HD3 LYS+ 60 16.667% * 1.8963% (0.13 1.0 1.00 0.08 0.02) = 1.896% kept T HE3 LYS+ 60 - HD3 LYS+ 32 16.667% * 0.9875% (0.03 1.0 10.00 0.02 0.02) = 0.988% Peak 2281 (8.79, 4.00, 70.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2282 (8.36, 1.73, 29.27 ppm): 5 chemical-shift based assignments, quality = 0.475, support = 3.68, residual support = 24.6: O HN GLU- 50 - HB3 GLU- 50 20.000% * 86.9544% (0.41 10.0 4.13 28.28) = 86.954% kept HN GLU- 109 - HB3 GLU- 50 20.000% * 7.2059% (0.92 1.0 0.74 0.02) = 7.206% kept HN ALA 103 - HB3 GLU- 50 20.000% * 5.4708% (0.96 1.0 0.54 0.02) = 5.471% kept HN LYS+ 108 - HB3 GLU- 50 20.000% * 0.2073% (0.98 1.0 0.02 0.02) = 0.207% HN GLY 71 - HB3 GLU- 50 20.000% * 0.1616% (0.76 1.0 0.02 0.02) = 0.162% Peak 2283 (8.23, 2.04, 29.25 ppm): 18 chemical-shift based assignments, quality = 0.524, support = 5.92, residual support = 33.3: O HN GLU- 45 - HB3 GLU- 45 5.556% * 50.2258% (0.54 10.0 5.83 33.54) = 50.226% kept O HN GLU- 45 - HB2 GLU- 45 5.556% * 48.9245% (0.52 10.0 6.12 33.54) = 48.924% kept HN SER 49 - HB3 GLU- 45 5.556% * 0.0764% (0.81 1.0 0.02 0.02) = 0.076% HN SER 49 - HB2 GLU- 45 5.556% * 0.0745% (0.79 1.0 0.02 0.02) = 0.074% HN VAL 94 - HB3 GLU- 45 5.556% * 0.0718% (0.77 1.0 0.02 0.24) = 0.072% HN VAL 94 - HB2 GLU- 45 5.556% * 0.0700% (0.75 1.0 0.02 0.24) = 0.070% HN VAL 105 - HB3 GLU- 45 5.556% * 0.0692% (0.74 1.0 0.02 0.02) = 0.069% HN VAL 105 - HB2 GLU- 45 5.556% * 0.0674% (0.72 1.0 0.02 0.02) = 0.067% HN GLY 58 - HB3 GLU- 45 5.556% * 0.0663% (0.71 1.0 0.02 3.06) = 0.066% HN GLY 58 - HB2 GLU- 45 5.556% * 0.0646% (0.69 1.0 0.02 3.06) = 0.065% HN LEU 67 - HB3 GLU- 45 5.556% * 0.0569% (0.61 1.0 0.02 0.02) = 0.057% HN LYS+ 81 - HB3 GLU- 45 5.556% * 0.0569% (0.61 1.0 0.02 0.02) = 0.057% HN LEU 67 - HB2 GLU- 45 5.556% * 0.0554% (0.59 1.0 0.02 0.02) = 0.055% HN LYS+ 81 - HB2 GLU- 45 5.556% * 0.0554% (0.59 1.0 0.02 0.02) = 0.055% HN LYS+ 117 - HB3 GLU- 45 5.556% * 0.0184% (0.20 1.0 0.02 0.02) = 0.018% HN LYS+ 117 - HB2 GLU- 45 5.556% * 0.0180% (0.19 1.0 0.02 0.02) = 0.018% HN THR 106 - HB3 GLU- 45 5.556% * 0.0145% (0.15 1.0 0.02 0.02) = 0.015% HN THR 106 - HB2 GLU- 45 5.556% * 0.0141% (0.15 1.0 0.02 0.02) = 0.014% Peak 2284 (7.32, 1.46, 29.21 ppm): 7 chemical-shift based assignments, quality = 0.0188, support = 0.02, residual support = 0.02: HN ARG+ 84 - HD3 LYS+ 108 14.286% * 19.4603% (0.02 0.02 0.02) = 19.460% kept HN VAL 47 - HD3 LYS+ 108 14.286% * 19.4171% (0.02 0.02 0.02) = 19.417% kept QD PHE 34 - HD3 LYS+ 108 14.286% * 19.0749% (0.02 0.02 0.02) = 19.075% kept HZ2 TRP 51 - HD3 LYS+ 108 14.286% * 11.8032% (0.01 0.02 0.02) = 11.803% kept HZ PHE 34 - HD3 LYS+ 108 14.286% * 11.8032% (0.01 0.02 0.02) = 11.803% kept QE PHE 34 - HD3 LYS+ 108 14.286% * 11.8032% (0.01 0.02 0.02) = 11.803% kept HN ILE 48 - HD3 LYS+ 108 14.286% * 6.6381% (0.01 0.02 0.02) = 6.638% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2285 (4.47, 2.39, 29.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2286 (4.46, 1.75, 29.23 ppm): 7 chemical-shift based assignments, quality = 0.737, support = 2.4, residual support = 28.1: O HA GLU- 50 - HB3 GLU- 50 14.286% * 99.4477% (0.74 10.0 2.41 28.28) = 99.448% kept HA PRO 86 - HB3 GLU- 50 14.286% * 0.1106% (0.82 1.0 0.02 0.37) = 0.111% HA ILE 100 - HB3 GLU- 50 14.286% * 0.1106% (0.82 1.0 0.02 0.02) = 0.111% HA ILE 101 - HB3 GLU- 50 14.286% * 0.1099% (0.82 1.0 0.02 0.02) = 0.110% HA LYS+ 32 - HB3 GLU- 50 14.286% * 0.1087% (0.81 1.0 0.02 0.02) = 0.109% HA VAL 99 - HB3 GLU- 50 14.286% * 0.0847% (0.63 1.0 0.02 0.02) = 0.085% HA ASN 76 - HB3 GLU- 50 14.286% * 0.0277% (0.21 1.0 0.02 0.02) = 0.028% Peak 2287 (4.41, 4.00, 70.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2289 (4.28, 1.65, 29.22 ppm): 13 chemical-shift based assignments, quality = 0.669, support = 0.292, residual support = 0.0198: HA VAL 65 - HB3 MET 126 7.692% * 26.2046% (0.73 0.43 0.02) = 26.205% kept HD3 PRO 59 - HB3 MET 126 7.692% * 24.4752% (0.75 0.38 0.02) = 24.475% kept HA ALA 91 - HB3 MET 126 7.692% * 11.7048% (0.76 0.18 0.02) = 11.705% kept HA LEU 90 - HB3 MET 126 7.692% * 10.7142% (0.50 0.25 0.02) = 10.714% kept HA GLU- 75 - HB3 MET 126 7.692% * 9.0028% (0.50 0.21 0.02) = 9.003% kept HA SER 85 - HB3 MET 126 7.692% * 7.1953% (0.75 0.11 0.02) = 7.195% kept HA ARG+ 84 - HB3 MET 126 7.692% * 4.7513% (0.71 0.08 0.02) = 4.751% kept HA LYS+ 108 - HB3 MET 126 7.692% * 2.4110% (0.10 0.27 0.02) = 2.411% kept HA PRO 52 - HB3 MET 126 7.692% * 1.2744% (0.75 0.02 0.02) = 1.274% kept HA THR 106 - HB3 MET 126 7.692% * 1.0411% (0.62 0.02 0.02) = 1.041% kept HA GLU- 56 - HB3 MET 126 7.692% * 0.5345% (0.32 0.02 0.02) = 0.535% HA2 GLY 114 - HB3 MET 126 7.692% * 0.4013% (0.24 0.02 0.02) = 0.401% HA PRO 104 - HB3 MET 126 7.692% * 0.2895% (0.17 0.02 0.11) = 0.289% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 2290 (4.00, 4.00, 70.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 8 chemical-shift based assignments, quality = 0.318, support = 1.49, residual support = 33.6: O T HE3 LYS+ 72 - HD3 LYS+ 72 12.500% * 96.7341% (0.32 10.0 10.00 1.54 34.75) = 96.734% kept T HE3 LYS+ 81 - HD3 LYS+ 72 12.500% * 1.0001% (0.34 1.0 10.00 0.02 0.31) = 1.000% kept T HE3 LYS+ 108 - HD3 LYS+ 72 12.500% * 0.9482% (0.32 1.0 10.00 0.02 0.02) = 0.948% T HE3 LYS+ 117 - HD3 LYS+ 72 12.500% * 0.9482% (0.32 1.0 10.00 0.02 0.02) = 0.948% T HA1 GLY 58 - HD3 LYS+ 72 12.500% * 0.2713% (0.09 1.0 10.00 0.02 0.02) = 0.271% HB3 HIS+ 98 - HD3 LYS+ 72 12.500% * 0.0527% (0.18 1.0 1.00 0.02 0.02) = 0.053% HD2 ARG+ 53 - HD3 LYS+ 72 12.500% * 0.0279% (0.09 1.0 1.00 0.02 0.02) = 0.028% HD3 PRO 35 - HD3 LYS+ 72 12.500% * 0.0176% (0.06 1.0 1.00 0.02 0.02) = 0.018% 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): 6 chemical-shift based assignments, quality = 0.536, support = 0.196, residual support = 0.153: HB2 PHE 21 - HB3 MET 126 16.667% * 38.9427% (0.71 1.00 0.35 0.36) = 38.943% kept HA1 GLY 58 - HB3 MET 126 16.667% * 18.0416% (0.42 1.00 0.27 0.02) = 18.042% kept T HE3 LYS+ 113 - HB3 MET 126 16.667% * 15.6233% (0.50 10.00 0.02 0.02) = 15.623% kept T HE2 LYS+ 117 - HB3 MET 126 16.667% * 14.6482% (0.46 10.00 0.02 0.02) = 14.648% kept T HE3 LYS+ 55 - HB3 MET 126 16.667% * 8.2380% (0.26 10.00 0.02 0.02) = 8.238% kept HB3 ASN 76 - HB3 MET 126 16.667% * 4.5062% (0.37 1.00 0.08 0.02) = 4.506% kept Not enough support, support cutoff is 0.25 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 = 0.638, support = 2.25, residual support = 2.83: T HA1 GLY 58 - HB2 GLU- 50 33.333% * 81.2473% (0.63 10.00 2.27 2.63) = 81.247% kept HG3 GLU- 45 - HB2 GLU- 50 33.333% * 11.3623% (0.77 1.00 2.27 3.68) = 11.362% kept HG2 GLU- 45 - HB2 GLU- 50 33.333% * 7.3903% (0.54 1.00 2.10 3.68) = 7.390% kept Peak 2316 (2.45, 2.04, 29.30 ppm): 8 chemical-shift based assignments, quality = 0.643, support = 3.11, residual support = 32.4: O HG3 GLU- 45 - HB3 GLU- 45 12.500% * 33.1204% (0.81 10.0 3.75 33.54) = 33.120% kept O HG3 GLU- 45 - HB2 GLU- 45 12.500% * 26.7183% (0.71 10.0 1.84 33.54) = 26.718% kept O HG2 GLU- 45 - HB3 GLU- 45 12.500% * 19.4300% (0.47 10.0 3.59 33.54) = 19.430% kept O HG2 GLU- 45 - HB2 GLU- 45 12.500% * 17.0401% (0.41 10.0 3.68 33.54) = 17.040% kept HA1 GLY 58 - HB3 GLU- 45 12.500% * 1.9834% (0.72 1.0 1.34 3.06) = 1.983% kept HA1 GLY 58 - HB2 GLU- 45 12.500% * 1.6957% (0.63 1.0 1.31 3.06) = 1.696% kept HB VAL 40 - HB3 GLU- 45 12.500% * 0.0065% (0.16 1.0 0.02 0.02) = 0.006% HB VAL 40 - HB2 GLU- 45 12.500% * 0.0057% (0.14 1.0 0.02 0.02) = 0.006% Peak 2317 (2.38, 2.39, 29.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 = 0.6, support = 1.97, residual support = 2.81: HB2 GLU- 45 - HB2 GLU- 50 7.692% * 49.3065% (0.75 1.00 2.47 3.68) = 49.307% kept HB3 GLU- 45 - HB2 GLU- 50 7.692% * 23.6188% (0.37 1.00 2.38 3.68) = 23.619% kept HG3 PRO 86 - HB2 GLU- 50 7.692% * 14.9269% (0.74 1.00 0.76 0.37) = 14.927% kept HB2 LYS+ 44 - HB2 GLU- 50 7.692% * 5.9937% (0.21 1.00 1.06 1.17) = 5.994% kept T HB3 GLU- 107 - HB2 GLU- 50 7.692% * 2.6327% (0.49 10.00 0.02 0.02) = 2.633% kept HG3 ARG+ 53 - HB2 GLU- 50 7.692% * 2.2082% (0.29 1.00 0.29 0.02) = 2.208% kept HB VAL 62 - HB2 GLU- 50 7.692% * 0.3928% (0.74 1.00 0.02 0.02) = 0.393% HB3 LYS+ 110 - HB2 GLU- 50 7.692% * 0.3259% (0.61 1.00 0.02 0.02) = 0.326% HB3 GLU- 75 - HB2 GLU- 50 7.692% * 0.2831% (0.53 1.00 0.02 0.02) = 0.283% HB3 PRO 31 - HB2 GLU- 50 7.692% * 0.1132% (0.21 1.00 0.02 0.02) = 0.113% HB2 PRO 112 - HB2 GLU- 50 7.692% * 0.0805% (0.15 1.00 0.02 0.02) = 0.081% HB3 PRO 112 - HB2 GLU- 50 7.692% * 0.0628% (0.12 1.00 0.02 0.02) = 0.063% HG2 PRO 116 - HB2 GLU- 50 7.692% * 0.0551% (0.10 1.00 0.02 0.02) = 0.055% Peak 2337 (1.82, 1.81, 29.24 ppm): 1 diagonal assignment: HD3 LYS+ 72 - HD3 LYS+ 72 (0.32) kept Peak 2340 (1.75, 2.38, 29.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2356 (1.67, 1.67, 29.25 ppm): 1 diagonal assignment: HB3 MET 126 - HB3 MET 126 (0.87) kept Peak 2387 (1.51, 1.81, 29.24 ppm): 8 chemical-shift based assignments, quality = 0.332, support = 2.83, residual support = 34.7: O HG3 LYS+ 72 - HD3 LYS+ 72 12.500% * 51.4269% (0.34 10.0 2.48 34.75) = 51.427% kept O HB2 LYS+ 72 - HD3 LYS+ 72 12.500% * 48.4320% (0.32 10.0 3.21 34.75) = 48.432% kept HG LEU 43 - HD3 LYS+ 72 12.500% * 0.0496% (0.33 1.0 0.02 0.02) = 0.050% HD3 LYS+ 108 - HD3 LYS+ 72 12.500% * 0.0438% (0.29 1.0 0.02 0.02) = 0.044% QG2 VAL 80 - HD3 LYS+ 72 12.500% * 0.0216% (0.14 1.0 0.02 0.02) = 0.022% HG LEU 74 - HD3 LYS+ 72 12.500% * 0.0099% (0.07 1.0 0.02 0.11) = 0.010% QB ALA 70 - HD3 LYS+ 72 12.500% * 0.0081% (0.05 1.0 0.02 1.45) = 0.008% HB3 LEU 23 - HD3 LYS+ 72 12.500% * 0.0081% (0.05 1.0 0.02 0.02) = 0.008% Peak 2391 (1.46, 1.67, 29.25 ppm): 7 chemical-shift based assignments, quality = 0.379, support = 0.564, residual support = 0.634: T HG LEU 74 - HB3 MET 126 14.286% * 55.1741% (0.28 10.00 0.77 1.13) = 55.174% kept T HG LEU 90 - HB3 MET 126 14.286% * 40.4833% (0.49 10.00 0.32 0.02) = 40.483% kept HB3 LEU 67 - HB3 MET 126 14.286% * 3.8042% (0.68 1.00 0.22 0.02) = 3.804% kept HB3 LYS+ 60 - HB3 MET 126 14.286% * 0.2158% (0.42 1.00 0.02 0.02) = 0.216% HG3 LYS+ 55 - HB3 MET 126 14.286% * 0.1200% (0.23 1.00 0.02 0.02) = 0.120% HD3 LYS+ 113 - HB3 MET 126 14.286% * 0.1072% (0.21 1.00 0.02 0.02) = 0.107% QB ALA 70 - HB3 MET 126 14.286% * 0.0953% (0.19 1.00 0.02 0.02) = 0.095% Peak 2403 (1.09, 4.00, 70.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2407 (0.95, 2.39, 29.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2410 (0.91, 4.00, 70.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2414 (0.68, 4.00, 70.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2416 (0.70, 0.39, 29.23 ppm): 18 chemical-shift based assignments, quality = 0.712, support = 5.05, residual support = 108.7: O QG2 ILE 48 - HG12 ILE 48 5.556% * 52.7488% (0.78 10.0 4.87 113.80) = 52.749% kept O QG2 ILE 48 - HG13 ILE 48 5.556% * 42.3848% (0.63 10.0 5.76 113.80) = 42.385% kept HG LEU 67 - HG12 ILE 48 5.556% * 2.4676% (0.87 1.0 0.84 9.52) = 2.468% kept HG LEU 67 - HG13 ILE 48 5.556% * 1.9534% (0.70 1.0 0.83 9.52) = 1.953% kept HG2 PRO 59 - HG12 ILE 48 5.556% * 0.0596% (0.88 1.0 0.02 0.02) = 0.060% QG2 ILE 101 - HG12 ILE 48 5.556% * 0.0575% (0.85 1.0 0.02 0.02) = 0.058% HG2 PRO 59 - HG13 ILE 48 5.556% * 0.0479% (0.71 1.0 0.02 0.02) = 0.048% QG2 ILE 101 - HG13 ILE 48 5.556% * 0.0462% (0.68 1.0 0.02 0.02) = 0.046% QD1 ILE 19 - HG12 ILE 48 5.556% * 0.0344% (0.51 1.0 0.02 0.02) = 0.034% QG2 VAL 94 - HG12 ILE 48 5.556% * 0.0296% (0.44 1.0 0.02 0.02) = 0.030% QD1 ILE 19 - HG13 ILE 48 5.556% * 0.0277% (0.41 1.0 0.02 0.02) = 0.028% HG12 ILE 19 - HG12 ILE 48 5.556% * 0.0273% (0.40 1.0 0.02 0.02) = 0.027% QG2 VAL 40 - HG12 ILE 48 5.556% * 0.0250% (0.37 1.0 0.02 0.02) = 0.025% QG2 VAL 94 - HG13 ILE 48 5.556% * 0.0238% (0.35 1.0 0.02 0.02) = 0.024% HG12 ILE 19 - HG13 ILE 48 5.556% * 0.0219% (0.32 1.0 0.02 0.02) = 0.022% QG2 VAL 40 - HG13 ILE 48 5.556% * 0.0201% (0.30 1.0 0.02 0.02) = 0.020% QD1 ILE 68 - HG12 ILE 48 5.556% * 0.0135% (0.20 1.0 0.02 0.02) = 0.014% QD1 ILE 68 - HG13 ILE 48 5.556% * 0.0109% (0.16 1.0 0.02 0.02) = 0.011% Peak 2419 (0.39, 1.46, 29.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2421 (0.39, 0.39, 29.23 ppm): 2 diagonal assignments: HG12 ILE 48 - HG12 ILE 48 (0.85) kept HG13 ILE 48 - HG13 ILE 48 (0.31) 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 = 0.489, support = 2.64, residual support = 14.0: HZ PHE 34 - HD3 LYS+ 32 10.000% * 36.3763% (0.54 3.39 17.88) = 36.376% kept QE PHE 34 - HD3 LYS+ 32 10.000% * 33.0299% (0.54 3.07 17.88) = 33.030% kept QD PHE 34 - HD3 LYS+ 32 10.000% * 8.7205% (0.17 2.62 17.88) = 8.721% kept HE22 GLN 102 - HD3 LYS+ 32 10.000% * 8.7029% (0.54 0.81 0.21) = 8.703% kept HZ2 TRP 51 - HD3 LYS+ 32 10.000% * 8.0199% (0.54 0.75 0.26) = 8.020% kept HZ PHE 34 - HD3 LYS+ 60 10.000% * 2.4807% (0.17 0.73 0.02) = 2.481% kept QE PHE 34 - HD3 LYS+ 60 10.000% * 2.1219% (0.17 0.63 0.02) = 2.122% kept QD PHE 34 - HD3 LYS+ 60 10.000% * 0.4125% (0.05 0.39 0.02) = 0.412% HE22 GLN 102 - HD3 LYS+ 60 10.000% * 0.0677% (0.17 0.02 0.02) = 0.068% HZ2 TRP 51 - HD3 LYS+ 60 10.000% * 0.0677% (0.17 0.02 0.02) = 0.068% Peak 2434 (4.52, 1.58, 28.84 ppm): 16 chemical-shift based assignments, quality = 0.278, support = 0.626, residual support = 1.36: HA LYS+ 55 - HD3 LYS+ 32 6.250% * 41.0609% (0.22 1.08 3.28) = 41.061% kept HA LYS+ 55 - HD3 LYS+ 60 6.250% * 29.1792% (0.42 0.41 0.02) = 29.179% kept HB THR 46 - HD3 LYS+ 32 6.250% * 10.3192% (0.22 0.27 0.02) = 10.319% kept HA SER 77 - HD3 LYS+ 32 6.250% * 6.7801% (0.10 0.42 0.02) = 6.780% kept HA ALA 103 - HD3 LYS+ 32 6.250% * 2.9382% (0.21 0.08 0.02) = 2.938% kept HA LYS+ 78 - HD3 LYS+ 60 6.250% * 1.9819% (0.59 0.02 0.02) = 1.982% kept HA CYS 123 - HD3 LYS+ 32 6.250% * 1.4461% (0.07 0.12 0.02) = 1.446% kept HB THR 46 - HD3 LYS+ 60 6.250% * 1.4296% (0.42 0.02 0.02) = 1.430% kept HA ALA 103 - HD3 LYS+ 60 6.250% * 1.3404% (0.40 0.02 0.02) = 1.340% kept HA LYS+ 78 - HD3 LYS+ 32 6.250% * 1.0506% (0.31 0.02 0.02) = 1.051% kept HA SER 77 - HD3 LYS+ 60 6.250% * 0.6144% (0.18 0.02 0.02) = 0.614% HA LEU 17 - HD3 LYS+ 60 6.250% * 0.4920% (0.15 0.02 0.02) = 0.492% HA CYS 123 - HD3 LYS+ 60 6.250% * 0.4373% (0.13 0.02 0.02) = 0.437% HA THR 79 - HD3 LYS+ 60 6.250% * 0.4373% (0.13 0.02 0.02) = 0.437% HA LEU 17 - HD3 LYS+ 32 6.250% * 0.2608% (0.08 0.02 0.02) = 0.261% HA THR 79 - HD3 LYS+ 32 6.250% * 0.2318% (0.07 0.02 0.02) = 0.232% Peak 2435 (3.10, 3.08, 28.99 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2436 (2.06, 2.10, 28.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2437 (2.05, 2.02, 29.04 ppm): 2 diagonal assignments: 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 (0.33) kept HD3 LYS+ 32 - HD3 LYS+ 32 (0.20) kept Peak 2441 (8.27, 4.15, 70.06 ppm): 5 chemical-shift based assignments, quality = 0.0861, support = 1.43, residual support = 10.7: O HN THR 106 - HB THR 106 20.000% * 99.4038% (0.09 10.0 1.44 10.76) = 99.404% kept HN ASN 89 - HB THR 106 20.000% * 0.2423% (0.15 1.0 0.02 0.02) = 0.242% HN ASP- 115 - HB THR 106 20.000% * 0.1592% (0.10 1.0 0.02 0.02) = 0.159% HN ASP- 28 - HB THR 106 20.000% * 0.1486% (0.09 1.0 0.02 0.02) = 0.149% HN ALA 91 - HB THR 106 20.000% * 0.0460% (0.03 1.0 0.02 0.02) = 0.046% Peak 2442 (7.87, 4.04, 70.02 ppm): 4 chemical-shift based assignments, quality = 0.361, support = 3.75, residual support = 14.8: O HN THR 38 - HB THR 38 25.000% * 98.8530% (0.37 10.0 3.80 14.93) = 98.853% kept HN LYS+ 44 - HB THR 38 25.000% * 0.9404% (0.29 1.0 0.24 0.65) = 0.940% HD22 ASN 89 - HB THR 38 25.000% * 0.1078% (0.40 1.0 0.02 0.02) = 0.108% HN LEU 90 - HB THR 38 25.000% * 0.0989% (0.37 1.0 0.02 0.02) = 0.099% Peak 2445 (4.36, 1.57, 28.63 ppm): 10 chemical-shift based assignments, quality = 0.178, support = 1.32, residual support = 12.9: HA LYS+ 60 - HD3 LYS+ 60 10.000% * 54.3983% (0.21 1.34 14.74) = 54.398% kept HB THR 61 - HD3 LYS+ 60 10.000% * 38.8261% (0.13 1.51 12.45) = 38.826% kept HA LYS+ 117 - HD3 LYS+ 60 10.000% * 1.2525% (0.33 0.02 0.29) = 1.253% kept HA2 GLY 26 - HD3 LYS+ 60 10.000% * 1.2277% (0.32 0.02 0.02) = 1.228% kept HA1 GLY 26 - HD3 LYS+ 60 10.000% * 1.1562% (0.30 0.02 0.02) = 1.156% kept HA THR 38 - HD3 LYS+ 60 10.000% * 0.9572% (0.25 0.02 0.02) = 0.957% HA ALA 37 - HD3 LYS+ 60 10.000% * 0.7091% (0.18 0.02 0.02) = 0.709% HA ASN 57 - HD3 LYS+ 60 10.000% * 0.6590% (0.17 0.02 0.02) = 0.659% HA VAL 94 - HD3 LYS+ 60 10.000% * 0.4272% (0.11 0.02 0.20) = 0.427% HA TRP 51 - HD3 LYS+ 60 10.000% * 0.3866% (0.10 0.02 0.02) = 0.387% Peak 2450 (4.17, 4.16, 70.07 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2454 (4.03, 4.03, 70.09 ppm): 1 diagonal assignment: HB THR 38 - HB THR 38 (0.61) kept Peak 2460 (2.91, 1.57, 28.65 ppm): 4 chemical-shift based assignments, quality = 0.276, support = 0.98, residual support = 14.4: O HE3 LYS+ 60 - HD3 LYS+ 60 25.000% * 97.7494% (0.28 10.0 1.00 14.74) = 97.749% kept HA1 GLY 58 - HD3 LYS+ 60 25.000% * 1.5432% (0.24 1.0 0.18 0.15) = 1.543% kept HB2 HIS+ 98 - HD3 LYS+ 60 25.000% * 0.5316% (0.19 1.0 0.08 0.02) = 0.532% HG3 MET 97 - HD3 LYS+ 60 25.000% * 0.1757% (0.25 1.0 0.02 0.02) = 0.176% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2465 (1.86, 1.58, 28.50 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2466 (1.63, 0.92, 28.65 ppm): 24 chemical-shift based assignments, quality = 0.486, support = 1.85, residual support = 10.7: HB2 LEU 67 - HG13 ILE 68 4.167% * 36.8015% (0.59 1.00 2.93 19.74) = 36.802% kept HB2 LEU 67 - HG12 ILE 68 4.167% * 15.6707% (0.34 1.00 2.20 19.74) = 15.671% kept HB ILE 100 - HG13 ILE 68 4.167% * 15.3672% (0.59 1.00 1.23 1.51) = 15.367% kept HG12 ILE 101 - HG13 ILE 68 4.167% * 11.9186% (0.59 1.00 0.95 0.12) = 11.919% kept HB ILE 100 - HG12 ILE 68 4.167% * 7.6861% (0.34 1.00 1.08 1.51) = 7.686% kept HG12 ILE 101 - HG12 ILE 68 4.167% * 3.1007% (0.34 1.00 0.43 0.12) = 3.101% kept HG3 LYS+ 78 - HG13 ILE 68 4.167% * 2.8725% (0.48 1.00 0.28 0.16) = 2.872% kept HG3 ARG+ 84 - HG13 ILE 68 4.167% * 1.9239% (0.09 1.00 0.99 0.02) = 1.924% kept HG3 LYS+ 78 - HG12 ILE 68 4.167% * 1.4308% (0.27 1.00 0.25 0.16) = 1.431% kept HB3 ARG+ 22 - HG12 ILE 68 4.167% * 0.8151% (0.13 1.00 0.30 2.09) = 0.815% T HB3 MET 97 - HG13 ILE 68 4.167% * 0.7811% (0.18 10.00 0.02 0.02) = 0.781% HG LEU 23 - HG12 ILE 68 4.167% * 0.6868% (0.34 1.00 0.10 0.02) = 0.687% HG LEU 23 - HG13 ILE 68 4.167% * 0.2531% (0.59 1.00 0.02 0.02) = 0.253% HG2 LYS+ 110 - HG13 ILE 68 4.167% * 0.1135% (0.27 1.00 0.02 0.02) = 0.113% HG3 LYS+ 110 - HG13 ILE 68 4.167% * 0.1040% (0.24 1.00 0.02 0.02) = 0.104% HB3 ARG+ 22 - HG13 ILE 68 4.167% * 0.0950% (0.22 1.00 0.02 2.09) = 0.095% HB3 LEU 17 - HG13 ILE 68 4.167% * 0.0704% (0.17 1.00 0.02 0.02) = 0.070% HG2 LYS+ 110 - HG12 ILE 68 4.167% * 0.0646% (0.15 1.00 0.02 0.02) = 0.065% HG3 LYS+ 110 - HG12 ILE 68 4.167% * 0.0592% (0.14 1.00 0.02 0.02) = 0.059% HD3 LYS+ 32 - HG13 ILE 68 4.167% * 0.0501% (0.12 1.00 0.02 0.02) = 0.050% HB3 MET 97 - HG12 ILE 68 4.167% * 0.0444% (0.10 1.00 0.02 0.02) = 0.044% HB3 LEU 17 - HG12 ILE 68 4.167% * 0.0400% (0.09 1.00 0.02 0.02) = 0.040% HD3 LYS+ 32 - HG12 ILE 68 4.167% * 0.0285% (0.07 1.00 0.02 0.02) = 0.028% HG3 ARG+ 84 - HG12 ILE 68 4.167% * 0.0222% (0.05 1.00 0.02 0.02) = 0.022% Peak 2469 (1.57, 1.34, 28.44 ppm): 9 chemical-shift based assignments, quality = 0.711, support = 3.7, residual support = 27.5: O HB ILE 19 - HG13 ILE 19 11.111% * 97.9366% (0.73 10.0 3.78 28.10) = 97.937% kept HG LEU 17 - HG13 ILE 19 11.111% * 0.9772% (0.72 1.0 0.20 0.02) = 0.977% HB3 LYS+ 32 - HG13 ILE 19 11.111% * 0.7222% (0.35 1.0 0.30 0.02) = 0.722% HG3 LYS+ 60 - HG13 ILE 19 11.111% * 0.0977% (0.72 1.0 0.02 0.02) = 0.098% HD3 LYS+ 60 - HG13 ILE 19 11.111% * 0.0960% (0.71 1.0 0.02 0.02) = 0.096% HB3 LEU 90 - HG13 ILE 19 11.111% * 0.0634% (0.47 1.0 0.02 0.02) = 0.063% HG13 ILE 29 - HG13 ILE 19 11.111% * 0.0515% (0.38 1.0 0.02 0.02) = 0.052% QG2 THR 24 - HG13 ILE 19 11.111% * 0.0403% (0.30 1.0 0.02 0.02) = 0.040% HB3 LEU 23 - HG13 ILE 19 11.111% * 0.0151% (0.11 1.0 0.02 0.02) = 0.015% 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): 11 chemical-shift based assignments, quality = 0.324, support = 2.26, residual support = 10.7: O T QG2 THR 38 - HB THR 38 9.091% * 48.6096% (0.33 10.0 10.00 2.01 14.93) = 48.610% kept T QB ALA 37 - HB THR 38 9.091% * 48.6096% (0.33 1.0 10.00 2.57 7.05) = 48.610% kept HG LEU 74 - HB THR 38 9.091% * 1.7381% (0.15 1.0 1.00 1.61 0.82) = 1.738% kept HG3 LYS+ 108 - HB THR 38 9.091% * 0.7917% (0.37 1.0 1.00 0.29 0.02) = 0.792% HD3 LYS+ 44 - HB THR 38 9.091% * 0.0549% (0.37 1.0 1.00 0.02 0.65) = 0.055% QB ALA 42 - HB THR 38 9.091% * 0.0449% (0.30 1.0 1.00 0.02 2.04) = 0.045% HD3 LYS+ 113 - HB THR 38 9.091% * 0.0428% (0.29 1.0 1.00 0.02 0.02) = 0.043% HG3 LYS+ 55 - HB THR 38 9.091% * 0.0407% (0.28 1.0 1.00 0.02 0.02) = 0.041% HB3 LYS+ 60 - HB THR 38 9.091% * 0.0273% (0.19 1.0 1.00 0.02 0.02) = 0.027% HG LEU 90 - HB THR 38 9.091% * 0.0230% (0.16 1.0 1.00 0.02 0.02) = 0.023% HD3 LYS+ 20 - HB THR 38 9.091% * 0.0173% (0.12 1.0 1.00 0.02 0.02) = 0.017% Peak 2473 (1.42, 1.57, 28.60 ppm): 11 chemical-shift based assignments, quality = 0.116, support = 1.2, residual support = 12.7: O HB3 LYS+ 60 - HD3 LYS+ 60 9.091% * 85.8428% (0.11 10.0 1.35 14.74) = 85.843% kept QB ALA 42 - HD3 LYS+ 60 9.091% * 5.3762% (0.22 1.0 0.40 0.10) = 5.376% kept HG3 LYS+ 55 - HD3 LYS+ 60 9.091% * 4.0817% (0.17 1.0 0.41 0.02) = 4.082% kept HD3 LYS+ 44 - HD3 LYS+ 60 9.091% * 2.8092% (0.24 1.0 0.19 0.02) = 2.809% kept HG LEU 74 - HD3 LYS+ 60 9.091% * 0.5932% (0.10 1.0 0.10 0.14) = 0.593% HG3 LYS+ 108 - HD3 LYS+ 60 9.091% * 0.2924% (0.24 1.0 0.02 0.02) = 0.292% QG2 THR 38 - HD3 LYS+ 60 9.091% * 0.2854% (0.24 1.0 0.02 0.02) = 0.285% QB ALA 37 - HD3 LYS+ 60 9.091% * 0.2854% (0.24 1.0 0.02 0.02) = 0.285% HD3 LYS+ 113 - HD3 LYS+ 60 9.091% * 0.2123% (0.18 1.0 0.02 0.02) = 0.212% HD3 LYS+ 20 - HD3 LYS+ 60 9.091% * 0.1160% (0.10 1.0 0.02 0.20) = 0.116% HG LEU 90 - HD3 LYS+ 60 9.091% * 0.1054% (0.09 1.0 0.02 0.02) = 0.105% Peak 2474 (1.17, 4.16, 70.07 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 8 chemical-shift based assignments, quality = 0.215, support = 0.392, residual support = 7.44: HG3 PRO 59 - HD3 LYS+ 60 12.500% * 60.6879% (0.26 0.45 12.16) = 60.688% kept QB ALA 33 - HD3 LYS+ 60 12.500% * 17.5573% (0.06 0.58 0.11) = 17.557% kept HG LEU 74 - HD3 LYS+ 60 12.500% * 13.3494% (0.26 0.10 0.14) = 13.349% kept HG3 LYS+ 32 - HD3 LYS+ 60 12.500% * 2.7795% (0.06 0.09 0.02) = 2.779% kept QG2 THR 106 - HD3 LYS+ 60 12.500% * 1.9898% (0.19 0.02 0.02) = 1.990% kept HB2 LEU 74 - HD3 LYS+ 60 12.500% * 1.6620% (0.16 0.02 0.14) = 1.662% kept HB3 LYS+ 66 - HD3 LYS+ 60 12.500% * 1.5514% (0.15 0.02 1.57) = 1.551% kept HD3 LYS+ 111 - HD3 LYS+ 60 12.500% * 0.4228% (0.04 0.02 0.02) = 0.423% Peak 2478 (0.93, 1.58, 28.57 ppm): 11 chemical-shift based assignments, quality = 0.0832, support = 0.112, residual support = 0.0833: QG2 VAL 99 - HD3 LYS+ 60 9.091% * 32.5191% (0.05 0.25 0.02) = 32.519% kept HG LEU 74 - HD3 LYS+ 60 9.091% * 22.4376% (0.09 0.10 0.14) = 22.438% kept QD1 LEU 17 - HD3 LYS+ 60 9.091% * 6.9363% (0.13 0.02 0.02) = 6.936% kept QG1 VAL 105 - HD3 LYS+ 60 9.091% * 6.9209% (0.13 0.02 0.14) = 6.921% kept HG12 ILE 29 - HD3 LYS+ 60 9.091% * 5.7937% (0.11 0.02 0.02) = 5.794% kept QG2 VAL 62 - HD3 LYS+ 60 9.091% * 5.5542% (0.11 0.02 0.25) = 5.554% kept HG12 ILE 68 - HD3 LYS+ 60 9.091% * 5.0368% (0.10 0.02 0.02) = 5.037% kept QG2 ILE 29 - HD3 LYS+ 60 9.091% * 5.0368% (0.10 0.02 0.02) = 5.037% kept QG2 VAL 73 - HD3 LYS+ 60 9.091% * 4.4871% (0.09 0.02 0.02) = 4.487% kept HG3 LYS+ 63 - HD3 LYS+ 60 9.091% * 4.2071% (0.08 0.02 0.41) = 4.207% kept HG13 ILE 68 - HD3 LYS+ 60 9.091% * 1.0702% (0.02 0.02 0.02) = 1.070% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2479 (0.91, 4.04, 70.01 ppm): 13 chemical-shift based assignments, quality = 0.418, support = 0.797, residual support = 0.484: HG LEU 74 - HB THR 38 7.692% * 22.3678% (0.30 1.61 0.82) = 22.368% kept HG13 ILE 68 - HB THR 38 7.692% * 18.7879% (0.53 0.78 0.02) = 18.788% kept QD1 LEU 67 - HB THR 38 7.692% * 12.8605% (0.52 0.54 0.10) = 12.861% kept QG1 VAL 80 - HB THR 38 7.692% * 12.7324% (0.32 0.87 1.79) = 12.732% kept QG2 VAL 87 - HB THR 38 7.692% * 8.2255% (0.52 0.34 0.02) = 8.226% kept QG1 VAL 47 - HB THR 38 7.692% * 7.9162% (0.51 0.34 0.02) = 7.916% kept QG2 VAL 105 - HB THR 38 7.692% * 7.6950% (0.50 0.34 0.02) = 7.695% kept QG2 VAL 73 - HB THR 38 7.692% * 6.0815% (0.32 0.41 0.84) = 6.082% kept QG2 VAL 47 - HB THR 38 7.692% * 1.9311% (0.16 0.26 0.02) = 1.931% kept QG1 VAL 40 - HB THR 38 7.692% * 0.9761% (0.13 0.16 0.02) = 0.976% QG1 VAL 122 - HB THR 38 7.692% * 0.2169% (0.24 0.02 0.02) = 0.217% QG2 VAL 125 - HB THR 38 7.692% * 0.1345% (0.15 0.02 0.02) = 0.134% QD1 LEU 17 - HB THR 38 7.692% * 0.0746% (0.08 0.02 0.02) = 0.075% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2482 (0.62, 1.58, 28.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2483 (9.31, 1.62, 28.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2485 (4.99, 1.38, 28.44 ppm): 2 chemical-shift based assignments, quality = 0.533, support = 1.01, residual support = 5.56: HA ILE 68 - HG13 ILE 19 50.000% * 98.7203% (0.54 1.02 5.30) = 98.720% kept HA PHE 34 - HG13 ILE 19 50.000% * 1.2797% (0.35 0.02 25.39) = 1.280% kept Peak 2486 (4.99, 0.93, 28.37 ppm): 6 chemical-shift based assignments, quality = 0.399, support = 2.98, residual support = 32.4: O HA ILE 68 - HG13 ILE 68 16.667% * 54.9895% (0.41 10.0 4.07 32.74) = 54.990% kept O HA ILE 68 - HG12 ILE 68 16.667% * 42.6518% (0.39 10.0 1.63 32.74) = 42.652% kept HA ILE 68 - QD1 LEU 67 16.667% * 2.2903% (0.19 1.0 1.83 19.74) = 2.290% kept HA PHE 34 - HG13 ILE 68 16.667% * 0.0284% (0.21 1.0 0.02 0.10) = 0.028% HA PHE 34 - HG12 ILE 68 16.667% * 0.0270% (0.20 1.0 0.02 0.10) = 0.027% HA PHE 34 - QD1 LEU 67 16.667% * 0.0129% (0.10 1.0 0.02 0.02) = 0.013% 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): 5 chemical-shift based assignments, quality = 0.656, support = 0.758, residual support = 2.28: T HD3 LYS+ 55 - HG12 ILE 19 20.000% * 95.3482% (0.68 10.00 0.75 2.06) = 95.348% kept HB3 MET 97 - HG12 ILE 19 20.000% * 4.1733% (0.22 1.00 1.02 7.56) = 4.173% kept HB3 MET 126 - HG12 ILE 19 20.000% * 0.2706% (0.72 1.00 0.02 0.02) = 0.271% HG3 ARG+ 84 - HG12 ILE 19 20.000% * 0.1427% (0.38 1.00 0.02 0.02) = 0.143% HB3 ARG+ 22 - HG12 ILE 19 20.000% * 0.0653% (0.17 1.00 0.02 0.13) = 0.065% Peak 2497 (1.38, 0.92, 28.42 ppm): 33 chemical-shift based assignments, quality = 0.274, support = 2.26, residual support = 6.51: HG LEU 74 - HG13 ILE 68 3.030% * 27.6487% (0.27 4.04 9.35) = 27.649% kept HG LEU 74 - HG12 ILE 68 3.030% * 18.0131% (0.23 3.07 9.35) = 18.013% kept HG2 LYS+ 78 - HG13 ILE 68 3.030% * 7.8283% (0.46 0.68 0.16) = 7.828% kept HG LEU 74 - QD1 LEU 67 3.030% * 6.8779% (0.08 3.53 24.34) = 6.878% kept HD3 LYS+ 20 - HG13 ILE 68 3.030% * 6.7915% (0.44 0.62 0.74) = 6.791% kept HG2 LYS+ 78 - HG12 ILE 68 3.030% * 5.4006% (0.39 0.54 0.16) = 5.401% kept HG13 ILE 19 - HG13 ILE 68 3.030% * 5.2377% (0.10 2.07 5.30) = 5.238% kept HD3 LYS+ 20 - HG12 ILE 68 3.030% * 4.6420% (0.37 0.49 0.74) = 4.642% kept QG2 THR 39 - HG12 ILE 68 3.030% * 3.3875% (0.46 0.29 0.02) = 3.387% kept HG13 ILE 19 - HG12 ILE 68 3.030% * 3.2613% (0.09 1.50 5.30) = 3.261% kept QG2 THR 39 - HG13 ILE 68 3.030% * 2.4732% (0.54 0.18 0.02) = 2.473% kept QG2 THR 38 - HG13 ILE 68 3.030% * 2.2739% (0.13 0.71 0.02) = 2.274% kept HB3 LYS+ 20 - HG13 ILE 68 3.030% * 1.6323% (0.23 0.28 0.74) = 1.632% kept QG2 THR 39 - QD1 LEU 67 3.030% * 1.4058% (0.15 0.36 0.02) = 1.406% kept QB ALA 37 - HG13 ILE 68 3.030% * 1.3104% (0.13 0.41 0.02) = 1.310% kept HB3 LYS+ 20 - HG12 ILE 68 3.030% * 0.9868% (0.20 0.19 0.74) = 0.987% QB ALA 91 - HG13 ILE 68 3.030% * 0.0985% (0.19 0.02 0.02) = 0.098% QB ALA 91 - HG12 ILE 68 3.030% * 0.0844% (0.17 0.02 0.02) = 0.084% QB ALA 42 - HG13 ILE 68 3.030% * 0.0803% (0.16 0.02 0.02) = 0.080% QB ALA 42 - HG12 ILE 68 3.030% * 0.0688% (0.14 0.02 0.02) = 0.069% HG2 LYS+ 78 - QD1 LEU 67 3.030% * 0.0658% (0.13 0.02 0.02) = 0.066% HD3 LYS+ 20 - QD1 LEU 67 3.030% * 0.0628% (0.12 0.02 0.02) = 0.063% HG3 ARG+ 22 - HG13 ILE 68 3.030% * 0.0571% (0.11 0.02 2.09) = 0.057% QB ALA 37 - HG12 ILE 68 3.030% * 0.0551% (0.11 0.02 0.02) = 0.055% QG2 THR 38 - HG12 ILE 68 3.030% * 0.0551% (0.11 0.02 0.02) = 0.055% HG3 ARG+ 22 - HG12 ILE 68 3.030% * 0.0490% (0.10 0.02 2.09) = 0.049% HB3 LYS+ 20 - QD1 LEU 67 3.030% * 0.0338% (0.07 0.02 0.02) = 0.034% QB ALA 91 - QD1 LEU 67 3.030% * 0.0280% (0.06 0.02 0.02) = 0.028% QB ALA 42 - QD1 LEU 67 3.030% * 0.0229% (0.05 0.02 0.02) = 0.023% QG2 THR 38 - QD1 LEU 67 3.030% * 0.0183% (0.04 0.02 0.10) = 0.018% QB ALA 37 - QD1 LEU 67 3.030% * 0.0183% (0.04 0.02 0.02) = 0.018% HG3 ARG+ 22 - QD1 LEU 67 3.030% * 0.0163% (0.03 0.02 0.02) = 0.016% HG13 ILE 19 - QD1 LEU 67 3.030% * 0.0144% (0.03 0.02 0.18) = 0.014% Peak 2498 (0.91, 1.39, 28.32 ppm): 12 chemical-shift based assignments, quality = 0.227, support = 1.55, residual support = 3.16: HG13 ILE 68 - HG13 ILE 19 8.333% * 58.6350% (0.25 2.07 5.30) = 58.635% kept QD1 LEU 67 - HG13 ILE 19 8.333% * 27.0180% (0.23 1.03 0.18) = 27.018% kept HG LEU 74 - HG13 ILE 19 8.333% * 9.7334% (0.17 0.50 0.02) = 9.733% kept QD1 LEU 17 - HG13 ILE 19 8.333% * 1.9203% (0.11 0.16 0.02) = 1.920% kept QG2 VAL 73 - HG13 ILE 19 8.333% * 0.5851% (0.26 0.02 0.02) = 0.585% QG2 VAL 87 - HG13 ILE 19 8.333% * 0.5449% (0.24 0.02 0.02) = 0.545% QG1 VAL 47 - HG13 ILE 19 8.333% * 0.4738% (0.21 0.02 0.02) = 0.474% QG2 VAL 105 - HG13 ILE 19 8.333% * 0.4482% (0.20 0.02 0.02) = 0.448% QG1 VAL 105 - HG13 ILE 19 8.333% * 0.2225% (0.10 0.02 0.02) = 0.223% QG1 VAL 80 - HG13 ILE 19 8.333% * 0.2014% (0.09 0.02 0.02) = 0.201% QG1 VAL 122 - HG13 ILE 19 8.333% * 0.1291% (0.06 0.02 0.02) = 0.129% HG12 ILE 29 - HG13 ILE 19 8.333% * 0.0883% (0.04 0.02 0.02) = 0.088% Peak 2499 (0.92, 0.92, 28.38 ppm): 3 diagonal assignments: HG13 ILE 68 - HG13 ILE 68 (0.26) kept HG12 ILE 68 - HG12 ILE 68 (0.14) kept QD1 LEU 67 - QD1 LEU 67 (0.09) kept Peak 2500 (0.73, 0.92, 28.40 ppm): 21 chemical-shift based assignments, quality = 0.488, support = 4.2, residual support = 31.5: O QD1 ILE 68 - HG13 ILE 68 4.762% * 52.8350% (0.57 10.0 4.71 32.74) = 52.835% kept O QD1 ILE 68 - HG12 ILE 68 4.762% * 40.8916% (0.44 10.0 3.74 32.74) = 40.892% kept QD1 ILE 68 - QD1 LEU 67 4.762% * 2.5212% (0.20 1.0 2.74 19.74) = 2.521% kept HG LEU 74 - HG13 ILE 68 4.762% * 1.8212% (0.10 1.0 4.04 9.35) = 1.821% kept HG LEU 74 - HG12 ILE 68 4.762% * 1.0709% (0.08 1.0 3.07 9.35) = 1.071% kept HG LEU 74 - QD1 LEU 67 4.762% * 0.5535% (0.03 1.0 3.53 24.34) = 0.553% QG2 VAL 40 - HG13 ILE 68 4.762% * 0.0475% (0.51 1.0 0.02 0.02) = 0.047% HG3 LYS+ 66 - HG13 ILE 68 4.762% * 0.0459% (0.49 1.0 0.02 0.02) = 0.046% QG2 VAL 40 - HG12 ILE 68 4.762% * 0.0368% (0.40 1.0 0.02 0.02) = 0.037% HG3 LYS+ 66 - HG12 ILE 68 4.762% * 0.0355% (0.38 1.0 0.02 0.02) = 0.036% QG2 ILE 48 - HG13 ILE 68 4.762% * 0.0237% (0.26 1.0 0.02 0.02) = 0.024% QG2 ILE 48 - HG12 ILE 68 4.762% * 0.0184% (0.20 1.0 0.02 0.02) = 0.018% QG2 ILE 101 - HG13 ILE 68 4.762% * 0.0181% (0.19 1.0 0.02 0.12) = 0.018% QG2 VAL 40 - QD1 LEU 67 4.762% * 0.0165% (0.18 1.0 0.02 0.02) = 0.017% HG3 LYS+ 66 - QD1 LEU 67 4.762% * 0.0160% (0.17 1.0 0.02 3.99) = 0.016% QG2 ILE 101 - HG12 ILE 68 4.762% * 0.0140% (0.15 1.0 0.02 0.12) = 0.014% HG3 LYS+ 44 - HG13 ILE 68 4.762% * 0.0093% (0.10 1.0 0.02 0.73) = 0.009% QG2 ILE 48 - QD1 LEU 67 4.762% * 0.0083% (0.09 1.0 0.02 9.52) = 0.008% HG3 LYS+ 44 - HG12 ILE 68 4.762% * 0.0072% (0.08 1.0 0.02 0.73) = 0.007% QG2 ILE 101 - QD1 LEU 67 4.762% * 0.0063% (0.07 1.0 0.02 0.02) = 0.006% HG3 LYS+ 44 - QD1 LEU 67 4.762% * 0.0032% (0.03 1.0 0.02 0.21) = 0.003% Peak 2501 (0.71, 3.92, 69.55 ppm): 10 chemical-shift based assignments, quality = 0.272, support = 1.77, residual support = 15.2: QD1 ILE 19 - HB THR 96 10.000% * 34.6179% (0.28 2.29 23.07) = 34.618% kept QG2 VAL 94 - HB THR 96 10.000% * 24.4829% (0.24 1.93 8.78) = 24.483% kept HG12 ILE 19 - HB THR 96 10.000% * 21.7628% (0.22 1.89 23.07) = 21.763% kept HG2 PRO 59 - HB THR 96 10.000% * 10.8098% (0.58 0.35 0.02) = 10.810% kept HG LEU 74 - HB THR 96 10.000% * 5.0233% (0.09 1.09 0.91) = 5.023% kept QD1 ILE 68 - HB THR 96 10.000% * 1.0369% (0.20 0.10 0.02) = 1.037% kept QG2 ILE 101 - HB THR 96 10.000% * 0.6685% (0.63 0.02 0.02) = 0.669% QG2 ILE 48 - HB THR 96 10.000% * 0.6380% (0.60 0.02 0.02) = 0.638% HG LEU 67 - HB THR 96 10.000% * 0.6049% (0.57 0.02 0.02) = 0.605% QG2 VAL 40 - HB THR 96 10.000% * 0.3549% (0.33 0.02 0.02) = 0.355% Peak 2502 (0.68, 1.68, 28.25 ppm): 8 chemical-shift based assignments, quality = 0.629, support = 0.708, residual support = 1.94: HG12 ILE 19 - HD3 LYS+ 55 12.500% * 48.4215% (0.66 0.75 2.06) = 48.421% kept QD1 ILE 19 - HD3 LYS+ 55 12.500% * 45.6016% (0.63 0.75 2.06) = 45.602% kept HG LEU 67 - HD3 LYS+ 55 12.500% * 2.6211% (0.33 0.08 0.02) = 2.621% kept QG2 VAL 94 - HD3 LYS+ 55 12.500% * 1.2713% (0.65 0.02 0.02) = 1.271% kept QG1 VAL 62 - HD3 LYS+ 55 12.500% * 1.0548% (0.54 0.02 0.02) = 1.055% kept HG2 PRO 59 - HD3 LYS+ 55 12.500% * 0.5906% (0.30 0.02 0.02) = 0.591% QG2 ILE 101 - HD3 LYS+ 55 12.500% * 0.2607% (0.13 0.02 0.02) = 0.261% QG2 ILE 48 - HD3 LYS+ 55 12.500% * 0.1783% (0.09 0.02 0.02) = 0.178% Peak 2503 (0.69, 0.68, 28.19 ppm): 1 diagonal assignment: HG12 ILE 19 - HG12 ILE 19 (0.41) kept Peak 2504 (0.29, 1.63, 28.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2505 (0.01, 0.68, 28.20 ppm): 1 chemical-shift based assignment, quality = 0.39, support = 4.37, residual support = 28.1: O QG2 ILE 19 - HG12 ILE 19 100.000% *100.0000% (0.39 10.0 4.37 28.10) = 100.000% kept Peak 2506 (8.94, 3.92, 69.46 ppm): 4 chemical-shift based assignments, quality = 0.826, support = 2.65, residual support = 14.8: O HN THR 96 - HB THR 96 25.000% * 95.7178% (0.85 10.0 2.68 15.38) = 95.718% kept HN MET 97 - HB THR 96 25.000% * 4.0927% (0.35 1.0 2.06 2.01) = 4.093% kept HN PHE 21 - HB THR 96 25.000% * 0.0964% (0.85 1.0 0.02 0.02) = 0.096% HN ARG+ 22 - HB THR 96 25.000% * 0.0932% (0.83 1.0 0.02 0.02) = 0.093% Peak 2507 (7.08, 4.39, 69.34 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2508 (4.83, 3.92, 69.48 ppm): 3 chemical-shift based assignments, quality = 0.282, support = 1.46, residual support = 12.5: O HA THR 96 - HB THR 96 33.333% * 78.8314% (0.17 10.0 1.58 15.38) = 78.831% kept HA MET 97 - HB THR 96 33.333% * 20.9327% (0.70 1.0 1.04 2.01) = 20.933% kept HA GLU- 107 - HB THR 96 33.333% * 0.2359% (0.41 1.0 0.02 0.02) = 0.236% Peak 2509 (4.48, 1.22, 28.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2511 (3.92, 3.92, 69.47 ppm): 1 diagonal assignment: HB THR 96 - HB THR 96 (0.81) kept Peak 2522 (1.65, 0.80, 27.97 ppm): 18 chemical-shift based assignments, quality = 0.428, support = 2.06, residual support = 15.8: O HB2 LEU 67 - QD2 LEU 67 5.556% * 54.7155% (0.14 10.0 2.92 27.70) = 54.716% kept HG3 ARG+ 84 - QD2 LEU 67 5.556% * 25.4166% (0.90 1.0 1.45 0.27) = 25.417% kept HB3 MET 97 - QD2 LEU 67 5.556% * 8.5162% (0.87 1.0 0.50 0.02) = 8.516% kept HB3 ARG+ 22 - QD2 LEU 67 5.556% * 4.0844% (0.83 1.0 0.25 0.02) = 4.084% kept O HB ILE 100 - HG12 ILE 100 5.556% * 3.3473% (0.02 10.0 1.02 17.03) = 3.347% kept HB3 MET 126 - QD2 LEU 67 5.556% * 2.4966% (0.58 1.0 0.22 0.02) = 2.497% kept HG3 ARG+ 84 - HG12 ILE 100 5.556% * 1.0447% (0.11 1.0 0.49 0.02) = 1.045% kept HG LEU 23 - QD2 LEU 67 5.556% * 0.0702% (0.18 1.0 0.02 0.02) = 0.070% HD3 LYS+ 55 - QD2 LEU 67 5.556% * 0.0621% (0.16 1.0 0.02 0.02) = 0.062% HB ILE 100 - QD2 LEU 67 5.556% * 0.0547% (0.14 1.0 0.02 0.94) = 0.055% HG12 ILE 101 - QD2 LEU 67 5.556% * 0.0547% (0.14 1.0 0.02 0.02) = 0.055% HB3 MET 97 - HG12 ILE 100 5.556% * 0.0411% (0.10 1.0 0.02 0.02) = 0.041% HB3 ARG+ 22 - HG12 ILE 100 5.556% * 0.0393% (0.10 1.0 0.02 0.02) = 0.039% HB3 MET 126 - HG12 ILE 100 5.556% * 0.0276% (0.07 1.0 0.02 0.02) = 0.028% HG LEU 23 - HG12 ILE 100 5.556% * 0.0084% (0.02 1.0 0.02 0.39) = 0.008% HD3 LYS+ 55 - HG12 ILE 100 5.556% * 0.0075% (0.02 1.0 0.02 0.02) = 0.007% HB2 LEU 67 - HG12 ILE 100 5.556% * 0.0066% (0.02 1.0 0.02 0.94) = 0.007% HG12 ILE 101 - HG12 ILE 100 5.556% * 0.0066% (0.02 1.0 0.02 9.19) = 0.007% Peak 2523 (1.40, 1.22, 28.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2524 (1.23, 1.40, 27.99 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2525 (1.22, 1.22, 27.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2526 (1.21, 0.80, 27.93 ppm): 4 chemical-shift based assignments, quality = 0.812, support = 4.81, residual support = 24.0: T HG LEU 74 - QD2 LEU 67 25.000% * 95.1771% (0.84 10.00 4.92 24.34) = 95.177% kept HB ILE 68 - QD2 LEU 67 25.000% * 3.1657% (0.20 1.00 2.74 19.74) = 3.166% kept HG LEU 74 - HG12 ILE 100 25.000% * 1.6287% (0.10 1.00 2.76 11.04) = 1.629% kept T HB ILE 68 - HG12 ILE 100 25.000% * 0.0286% (0.03 10.00 0.02 1.51) = 0.029% Peak 2527 (0.84, 1.40, 27.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2528 (0.83, 1.22, 27.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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 = 0.521, support = 0.92, residual support = 9.55: QD2 LEU 43 - QD2 LEU 67 50.000% * 58.3429% (0.80 0.39 2.27) = 58.343% kept QG2 ILE 68 - QD2 LEU 67 50.000% * 41.6571% (0.13 1.66 19.74) = 41.657% kept Peak 2531 (-0.04, 0.81, 27.84 ppm): 2 chemical-shift based assignments, quality = 0.545, support = 0.81, residual support = 24.3: QD1 LEU 74 - QD2 LEU 67 50.000% * 99.8912% (0.55 0.81 24.34) = 99.891% kept QD1 LEU 74 - HG12 ILE 100 50.000% * 0.1088% (0.02 0.02 11.04) = 0.109% Peak 2532 (8.47, 0.72, 27.60 ppm): 10 chemical-shift based assignments, quality = 0.0806, support = 3.4, residual support = 34.5: HN LEU 74 - HG LEU 74 10.000% * 53.1642% (0.04 5.85 64.26) = 53.164% kept HN GLU- 18 - HG LEU 74 10.000% * 11.0949% (0.04 1.41 2.48) = 11.095% kept HN LYS+ 113 - HG LEU 74 10.000% * 8.8947% (0.06 0.63 0.30) = 8.895% kept HN GLY 92 - HG LEU 74 10.000% * 8.4641% (0.06 0.60 0.10) = 8.464% kept HN LYS+ 113 - HG2 PRO 59 10.000% * 7.0025% (0.36 0.09 0.02) = 7.003% kept HN GLU- 107 - HG LEU 74 10.000% * 6.2857% (0.07 0.42 0.02) = 6.286% kept HN GLU- 107 - HG2 PRO 59 10.000% * 1.6521% (0.38 0.02 0.02) = 1.652% kept HN GLY 92 - HG2 PRO 59 10.000% * 1.5663% (0.36 0.02 0.02) = 1.566% kept HN LEU 74 - HG2 PRO 59 10.000% * 1.0043% (0.23 0.02 0.02) = 1.004% kept HN GLU- 18 - HG2 PRO 59 10.000% * 0.8712% (0.20 0.02 0.02) = 0.871% Peak 2533 (4.47, 2.05, 27.61 ppm): 18 chemical-shift based assignments, quality = 0.261, support = 1.61, residual support = 14.8: O HA PRO 86 - HG3 PRO 86 5.556% * 87.6002% (0.25 10.0 1.74 16.85) = 87.600% kept HA ILE 101 - HG3 ARG+ 53 5.556% * 7.0727% (0.38 1.0 0.93 0.21) = 7.073% kept HA ILE 100 - HG3 ARG+ 53 5.556% * 3.9441% (0.40 1.0 0.49 0.02) = 3.944% kept HA LYS+ 32 - HG3 ARG+ 53 5.556% * 0.1870% (0.46 1.0 0.02 0.02) = 0.187% HA PRO 86 - HG3 ARG+ 53 5.556% * 0.1742% (0.43 1.0 0.02 0.02) = 0.174% HA ASN 76 - HG3 ARG+ 53 5.556% * 0.1265% (0.31 1.0 0.02 0.02) = 0.126% HA GLU- 50 - HG3 ARG+ 53 5.556% * 0.1097% (0.27 1.0 0.02 0.02) = 0.110% HA LYS+ 32 - HG3 PRO 86 5.556% * 0.1083% (0.27 1.0 0.02 0.02) = 0.108% HA ILE 100 - HG3 PRO 86 5.556% * 0.0923% (0.23 1.0 0.02 0.02) = 0.092% HA ILE 101 - HG3 PRO 86 5.556% * 0.0877% (0.22 1.0 0.02 0.02) = 0.088% HA CYS 123 - HG3 ARG+ 53 5.556% * 0.0857% (0.21 1.0 0.02 0.02) = 0.086% HA VAL 99 - HG3 ARG+ 53 5.556% * 0.0783% (0.19 1.0 0.02 0.02) = 0.078% HA ASN 76 - HG3 PRO 86 5.556% * 0.0732% (0.18 1.0 0.02 0.02) = 0.073% HA SER 77 - HG3 ARG+ 53 5.556% * 0.0644% (0.16 1.0 0.02 0.02) = 0.064% HA GLU- 50 - HG3 PRO 86 5.556% * 0.0635% (0.16 1.0 0.02 0.37) = 0.064% HA CYS 123 - HG3 PRO 86 5.556% * 0.0496% (0.12 1.0 0.02 0.02) = 0.050% HA VAL 99 - HG3 PRO 86 5.556% * 0.0453% (0.11 1.0 0.02 0.02) = 0.045% HA SER 77 - HG3 PRO 86 5.556% * 0.0373% (0.09 1.0 0.02 0.02) = 0.037% Peak 2534 (4.29, 1.77, 27.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2535 (4.30, 1.68, 27.61 ppm): 10 chemical-shift based assignments, quality = 0.318, support = 0.481, residual support = 2.16: HA LEU 90 - HG3 ARG+ 84 10.000% * 38.8568% (0.51 0.42 0.46) = 38.857% kept HA SER 85 - HG3 ARG+ 84 10.000% * 22.6284% (0.13 1.00 8.68) = 22.628% kept HA PRO 52 - HG3 ARG+ 84 10.000% * 9.9142% (0.13 0.44 0.02) = 9.914% kept HA THR 106 - HG3 ARG+ 84 10.000% * 7.7222% (0.41 0.10 0.13) = 7.722% kept HA ALA 91 - HG3 ARG+ 84 10.000% * 6.6449% (0.14 0.26 0.02) = 6.645% kept HD3 PRO 59 - HG3 ARG+ 84 10.000% * 5.8168% (0.13 0.26 0.02) = 5.817% kept HA VAL 65 - HG3 ARG+ 84 10.000% * 3.1048% (0.10 0.18 0.02) = 3.105% kept HA PRO 104 - HG3 ARG+ 84 10.000% * 2.2713% (0.63 0.02 0.02) = 2.271% kept HA ILE 29 - HG3 ARG+ 84 10.000% * 1.8350% (0.51 0.02 0.02) = 1.835% kept HA PRO 112 - HG3 ARG+ 84 10.000% * 1.2057% (0.33 0.02 0.02) = 1.206% kept Peak 2536 (3.90, 2.14, 27.77 ppm): 11 chemical-shift based assignments, quality = 0.157, support = 1.58, residual support = 4.72: HA ILE 48 - HG2 PRO 104 9.091% * 66.3156% (0.14 2.24 7.08) = 66.316% kept HA VAL 125 - HG2 PRO 104 9.091% * 11.0961% (0.19 0.28 0.02) = 11.096% kept HB3 CYS 121 - HG2 PRO 104 9.091% * 8.6833% (0.06 0.66 0.26) = 8.683% kept HA LYS+ 44 - HG2 PRO 104 9.091% * 8.2186% (0.36 0.11 0.02) = 8.219% kept HB2 SER 77 - HG2 PRO 104 9.091% * 1.6200% (0.38 0.02 0.02) = 1.620% kept HD2 PRO 86 - HG2 PRO 104 9.091% * 1.0981% (0.26 0.02 0.02) = 1.098% kept HD2 PRO 116 - HG2 PRO 104 9.091% * 0.9441% (0.22 0.02 0.02) = 0.944% HB3 SER 77 - HG2 PRO 104 9.091% * 0.7729% (0.18 0.02 0.02) = 0.773% HB THR 96 - HG2 PRO 104 9.091% * 0.4836% (0.11 0.02 0.02) = 0.484% HA LEU 74 - HG2 PRO 104 9.091% * 0.3838% (0.09 0.02 1.08) = 0.384% HB2 SER 85 - HG2 PRO 104 9.091% * 0.3838% (0.09 0.02 0.02) = 0.384% Peak 2537 (3.84, 2.02, 27.60 ppm): 16 chemical-shift based assignments, quality = 0.176, support = 2.15, residual support = 16.6: O HD3 PRO 86 - HG2 PRO 86 6.250% * 52.3267% (0.21 10.0 1.00 1.50 16.85) = 52.327% kept O T HD3 PRO 86 - HG3 PRO 86 6.250% * 46.0137% (0.14 10.0 10.00 2.96 16.85) = 46.014% kept HA VAL 87 - HG3 PRO 86 6.250% * 0.9581% (0.06 1.0 1.00 0.94 8.20) = 0.958% T HD3 PRO 116 - HG2 PRO 86 6.250% * 0.2333% (0.07 1.0 10.00 0.02 5.32) = 0.233% T HD3 PRO 116 - HG3 PRO 86 6.250% * 0.1538% (0.05 1.0 10.00 0.02 5.32) = 0.154% HA LYS+ 44 - HG2 PRO 86 6.250% * 0.0414% (0.13 1.0 1.00 0.02 0.02) = 0.041% HB3 SER 88 - HG2 PRO 86 6.250% * 0.0398% (0.12 1.0 1.00 0.02 0.02) = 0.040% HA ILE 48 - HG2 PRO 86 6.250% * 0.0395% (0.12 1.0 1.00 0.02 0.02) = 0.040% HA2 GLY 92 - HG2 PRO 86 6.250% * 0.0368% (0.11 1.0 1.00 0.02 0.02) = 0.037% HA VAL 87 - HG2 PRO 86 6.250% * 0.0311% (0.09 1.0 1.00 0.02 8.20) = 0.031% HA LYS+ 44 - HG3 PRO 86 6.250% * 0.0273% (0.08 1.0 1.00 0.02 0.02) = 0.027% HB3 SER 88 - HG3 PRO 86 6.250% * 0.0262% (0.08 1.0 1.00 0.02 0.02) = 0.026% HA ILE 48 - HG3 PRO 86 6.250% * 0.0261% (0.08 1.0 1.00 0.02 0.02) = 0.026% HA2 GLY 92 - HG3 PRO 86 6.250% * 0.0243% (0.07 1.0 1.00 0.02 0.02) = 0.024% HB2 SER 85 - HG2 PRO 86 6.250% * 0.0132% (0.04 1.0 1.00 0.02 2.44) = 0.013% HB2 SER 85 - HG3 PRO 86 6.250% * 0.0087% (0.03 1.0 1.00 0.02 2.44) = 0.009% Peak 2538 (3.61, 1.99, 27.56 ppm): 4 chemical-shift based assignments, quality = 0.329, support = 2.16, residual support = 6.14: HA ILE 48 - HG3 PRO 104 25.000% * 60.2587% (0.33 2.48 7.08) = 60.259% kept HD2 PRO 112 - HG3 PRO 104 25.000% * 39.4072% (0.32 1.67 4.76) = 39.407% kept HA ILE 48 - HG2 PRO 86 25.000% * 0.1695% (0.12 0.02 0.02) = 0.170% HD2 PRO 112 - HG2 PRO 86 25.000% * 0.1645% (0.11 0.02 0.02) = 0.165% Peak 2539 (3.61, 1.93, 27.60 ppm): 4 chemical-shift based assignments, quality = 0.36, support = 0.985, residual support = 7.43: O HD2 PRO 112 - HG2 PRO 112 25.000% * 97.1962% (0.37 10.0 1.00 7.53) = 97.196% kept HD2 PRO 104 - HG2 PRO 112 25.000% * 2.4638% (0.18 1.0 0.52 4.76) = 2.464% kept HA ILE 48 - HG2 PRO 112 25.000% * 0.2870% (0.54 1.0 0.02 0.02) = 0.287% HD2 PRO 31 - HG2 PRO 112 25.000% * 0.0530% (0.10 1.0 0.02 0.02) = 0.053% Peak 2540 (3.29, 1.46, 27.64 ppm): 6 chemical-shift based assignments, quality = 0.0835, support = 0.64, residual support = 1.74: T HE3 LYS+ 63 - HG LEU 74 16.667% * 95.0546% (0.09 10.00 0.67 1.82) = 95.055% kept HA LEU 23 - HG LEU 74 16.667% * 2.2153% (0.08 1.00 0.17 0.14) = 2.215% kept HD3 ARG+ 53 - HG LEU 90 16.667% * 0.8562% (0.26 1.00 0.02 0.02) = 0.856% HE3 LYS+ 63 - HG LEU 90 16.667% * 0.8245% (0.25 1.00 0.02 0.02) = 0.824% HA LEU 23 - HG LEU 90 16.667% * 0.7543% (0.23 1.00 0.02 0.02) = 0.754% HD3 ARG+ 53 - HG LEU 74 16.667% * 0.2951% (0.09 1.00 0.02 0.02) = 0.295% Not enough quality. Peak unassigned. Peak 2542 (3.18, 1.66, 27.58 ppm): 8 chemical-shift based assignments, quality = 0.896, support = 1.74, residual support = 28.1: O HD3 ARG+ 84 - HG3 ARG+ 84 12.500% * 98.0711% (0.91 10.0 1.77 28.69) = 98.071% kept HB3 PHE 34 - HG3 ARG+ 84 12.500% * 1.1148% (0.66 1.0 0.28 0.02) = 1.115% kept HA1 GLY 58 - HG3 ARG+ 84 12.500% * 0.7557% (0.19 1.0 0.66 0.02) = 0.756% HD3 PRO 35 - HG3 ARG+ 84 12.500% * 0.0205% (0.17 1.0 0.02 0.02) = 0.020% HD3 ARG+ 84 - HG12 ILE 101 12.500% * 0.0179% (0.15 1.0 0.02 0.02) = 0.018% HB3 PHE 34 - HG12 ILE 101 12.500% * 0.0130% (0.11 1.0 0.02 0.02) = 0.013% HA1 GLY 58 - HG12 ILE 101 12.500% * 0.0037% (0.03 1.0 0.02 0.02) = 0.004% HD3 PRO 35 - HG12 ILE 101 12.500% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% Peak 2546 (2.58, 2.14, 27.70 ppm): 3 chemical-shift based assignments, quality = 0.398, support = 0.439, residual support = 2.51: HA1 GLY 58 - HG2 PRO 104 33.333% * 93.4413% (0.40 0.47 2.69) = 93.441% kept HB3 ASP- 36 - HG2 PRO 104 33.333% * 4.0826% (0.41 0.02 0.02) = 4.083% kept HB2 PHE 34 - HG2 PRO 104 33.333% * 2.4762% (0.25 0.02 0.02) = 2.476% kept Peak 2547 (2.58, 2.08, 27.66 ppm): 6 chemical-shift based assignments, quality = 0.568, support = 0.0423, residual support = 0.02: HB3 ASP- 36 - HG3 ARG+ 53 16.667% * 29.3978% (0.79 0.02 0.02) = 29.398% kept HA1 GLY 58 - HG3 ARG+ 53 16.667% * 28.7834% (0.77 0.02 0.02) = 28.783% kept HB2 PHE 34 - HG3 ARG+ 53 16.667% * 19.0289% (0.51 0.02 0.02) = 19.029% kept HA1 GLY 58 - HG3 PRO 86 16.667% * 18.4085% (0.07 0.14 0.02) = 18.408% kept HB3 ASP- 36 - HG3 PRO 86 16.667% * 2.6598% (0.07 0.02 0.02) = 2.660% kept HB2 PHE 34 - HG3 PRO 86 16.667% * 1.7216% (0.05 0.02 0.02) = 1.722% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2551 (2.30, 2.02, 27.54 ppm): 10 chemical-shift based assignments, quality = 0.0975, support = 2.81, residual support = 16.8: O HB2 PRO 86 - HG2 PRO 86 10.000% * 32.1652% (0.12 10.0 1.00 2.61 16.85) = 32.165% kept O HB2 PRO 86 - HG3 PRO 86 10.000% * 25.5244% (0.10 10.0 1.00 3.22 16.85) = 25.524% kept O HB3 PRO 86 - HG2 PRO 86 10.000% * 23.3567% (0.09 10.0 1.00 2.49 16.85) = 23.357% kept O HB3 PRO 86 - HG3 PRO 86 10.000% * 18.5345% (0.07 10.0 1.00 3.08 16.85) = 18.535% kept T HG3 GLU- 64 - HG3 PRO 86 10.000% * 0.2604% (0.10 1.0 10.00 0.02 0.74) = 0.260% HA1 GLY 58 - HG3 PRO 86 10.000% * 0.0977% (0.05 1.0 1.00 0.14 0.02) = 0.098% HG3 GLU- 64 - HG2 PRO 86 10.000% * 0.0328% (0.12 1.0 1.00 0.02 0.74) = 0.033% HA1 GLY 58 - HG2 PRO 86 10.000% * 0.0174% (0.07 1.0 1.00 0.02 0.02) = 0.017% HB2 TYR 83 - HG2 PRO 86 10.000% * 0.0060% (0.02 1.0 1.00 0.02 0.02) = 0.006% HB2 TYR 83 - HG3 PRO 86 10.000% * 0.0047% (0.02 1.0 1.00 0.02 0.02) = 0.005% Peak 2557 (2.04, 1.63, 27.60 ppm): 30 chemical-shift based assignments, quality = 0.409, support = 1.03, residual support = 1.17: HB3 GLU- 75 - HG12 ILE 101 3.333% * 36.1856% (0.48 1.00 2.30 3.18) = 36.186% kept T HB2 LYS+ 44 - HG12 ILE 101 3.333% * 33.3764% (0.41 10.00 0.25 0.02) = 33.376% kept HB3 GLU- 107 - HG3 ARG+ 84 3.333% * 5.8036% (0.41 1.00 0.44 0.02) = 5.804% kept HG3 ARG+ 53 - HG12 ILE 101 3.333% * 5.1309% (0.14 1.00 1.16 0.21) = 5.131% kept T HB3 LYS+ 110 - HG12 ILE 101 3.333% * 4.9591% (0.76 10.00 0.02 0.02) = 4.959% kept HB3 GLU- 75 - HG3 ARG+ 84 3.333% * 3.8335% (0.28 1.00 0.42 0.02) = 3.834% kept T HB3 LYS+ 110 - HG3 ARG+ 84 3.333% * 2.9016% (0.45 10.00 0.02 0.02) = 2.902% kept T HB2 LYS+ 44 - HG3 ARG+ 84 3.333% * 1.5574% (0.24 10.00 0.02 0.02) = 1.557% kept HG3 ARG+ 53 - HG3 ARG+ 84 3.333% * 1.4156% (0.08 1.00 0.55 0.02) = 1.416% kept HG3 PRO 86 - HG12 ILE 101 3.333% * 0.4959% (0.76 1.00 0.02 0.02) = 0.496% HB VAL 62 - HG12 ILE 101 3.333% * 0.4959% (0.76 1.00 0.02 0.02) = 0.496% HB3 GLU- 107 - HG12 ILE 101 3.333% * 0.4537% (0.70 1.00 0.02 0.02) = 0.454% HB2 GLU- 45 - HG12 ILE 101 3.333% * 0.4051% (0.62 1.00 0.02 0.02) = 0.405% HB3 GLU- 45 - HG12 ILE 101 3.333% * 0.3866% (0.60 1.00 0.02 0.02) = 0.387% HG3 PRO 86 - HG3 ARG+ 84 3.333% * 0.2902% (0.45 1.00 0.02 0.02) = 0.290% HB VAL 62 - HG3 ARG+ 84 3.333% * 0.2902% (0.45 1.00 0.02 0.23) = 0.290% HB3 PRO 31 - HG12 ILE 101 3.333% * 0.2662% (0.41 1.00 0.02 0.02) = 0.266% HB2 GLU- 45 - HG3 ARG+ 84 3.333% * 0.2370% (0.36 1.00 0.02 0.02) = 0.237% HB3 GLU- 45 - HG3 ARG+ 84 3.333% * 0.2262% (0.35 1.00 0.02 0.02) = 0.226% HB2 PRO 112 - HG12 ILE 101 3.333% * 0.2080% (0.32 1.00 0.02 0.02) = 0.208% HB3 PRO 112 - HG12 ILE 101 3.333% * 0.1726% (0.27 1.00 0.02 0.02) = 0.173% HG2 PRO 116 - HG12 ILE 101 3.333% * 0.1562% (0.24 1.00 0.02 0.02) = 0.156% HB3 PRO 31 - HG3 ARG+ 84 3.333% * 0.1557% (0.24 1.00 0.02 0.02) = 0.156% HB2 PRO 112 - HG3 ARG+ 84 3.333% * 0.1217% (0.19 1.00 0.02 0.02) = 0.122% HB3 PRO 112 - HG3 ARG+ 84 3.333% * 0.1010% (0.16 1.00 0.02 0.02) = 0.101% HG2 GLU- 64 - HG12 ILE 101 3.333% * 0.1001% (0.15 1.00 0.02 0.02) = 0.100% HG2 PRO 116 - HG3 ARG+ 84 3.333% * 0.0914% (0.14 1.00 0.02 0.02) = 0.091% HB2 GLU- 18 - HG12 ILE 101 3.333% * 0.0781% (0.12 1.00 0.02 0.93) = 0.078% HG2 GLU- 64 - HG3 ARG+ 84 3.333% * 0.0586% (0.09 1.00 0.02 0.02) = 0.059% HB2 GLU- 18 - HG3 ARG+ 84 3.333% * 0.0457% (0.07 1.00 0.02 0.02) = 0.046% Peak 2558 (2.03, 1.30, 27.57 ppm): 16 chemical-shift based assignments, quality = 0.314, support = 1.39, residual support = 2.41: T HB VAL 62 - HG LEU 74 6.250% * 32.8112% (0.35 10.00 1.66 2.56) = 32.811% kept T HB2 LYS+ 44 - HG LEU 74 6.250% * 24.6318% (0.29 10.00 1.49 4.29) = 24.632% kept T HB3 LYS+ 110 - HG LEU 74 6.250% * 20.4745% (0.40 10.00 0.91 1.01) = 20.475% kept T HB VAL 105 - HG LEU 74 6.250% * 6.8695% (0.09 10.00 1.36 0.63) = 6.870% kept HB3 GLU- 45 - HG LEU 74 6.250% * 3.9544% (0.37 1.00 1.88 2.69) = 3.954% kept HB2 GLU- 45 - HG LEU 74 6.250% * 2.7265% (0.24 1.00 1.98 2.69) = 2.726% kept HB3 GLU- 75 - HG LEU 74 6.250% * 2.5965% (0.23 1.00 2.00 3.20) = 2.596% kept T HG3 PRO 86 - HG LEU 74 6.250% * 2.3200% (0.35 10.00 0.12 0.13) = 2.320% kept HB3 GLU- 107 - HG LEU 74 6.250% * 1.5238% (0.40 1.00 0.68 0.02) = 1.524% kept HB2 GLU- 18 - HG LEU 74 6.250% * 0.8686% (0.11 1.00 1.37 2.48) = 0.869% HB2 PRO 112 - HG LEU 74 6.250% * 0.4188% (0.24 1.00 0.30 0.02) = 0.419% T HG2 PRO 86 - HG LEU 74 6.250% * 0.4127% (0.06 10.00 0.12 0.13) = 0.413% T HB3 PRO 31 - HG LEU 74 6.250% * 0.3302% (0.29 10.00 0.02 0.02) = 0.330% HB3 PRO 112 - HG LEU 74 6.250% * 0.0239% (0.21 1.00 0.02 0.02) = 0.024% HG2 PRO 116 - HG LEU 74 6.250% * 0.0221% (0.19 1.00 0.02 0.02) = 0.022% HG2 GLU- 64 - HG LEU 74 6.250% * 0.0155% (0.14 1.00 0.02 0.11) = 0.016% Peak 2568 (2.01, 2.01, 27.51 ppm): 1 diagonal assignment: HG2 PRO 86 - HG2 PRO 86 (0.12) kept Peak 2569 (1.85, 1.46, 27.62 ppm): 14 chemical-shift based assignments, quality = 0.105, support = 0.916, residual support = 0.946: T HB2 LYS+ 66 - HG LEU 74 7.143% * 69.5194% (0.10 10.00 1.15 1.23) = 69.519% kept T HB3 LYS+ 72 - HG LEU 74 7.143% * 15.8228% (0.10 10.00 0.26 0.11) = 15.823% kept HB2 PRO 104 - HG LEU 74 7.143% * 6.4994% (0.10 1.00 1.10 1.08) = 6.499% kept T HB3 PRO 59 - HG LEU 90 7.143% * 2.4129% (0.21 10.00 0.02 0.02) = 2.413% kept T HB2 PRO 59 - HG LEU 90 7.143% * 1.8688% (0.16 10.00 0.02 0.02) = 1.869% kept T HB3 PRO 59 - HG LEU 74 7.143% * 1.0651% (0.09 10.00 0.02 0.02) = 1.065% kept T HB2 PRO 59 - HG LEU 74 7.143% * 0.8249% (0.07 10.00 0.02 0.02) = 0.825% HG3 PRO 112 - HG LEU 74 7.143% * 0.5113% (0.09 1.00 0.10 0.02) = 0.511% HD3 LYS+ 117 - HG LEU 74 7.143% * 0.3567% (0.02 1.00 0.25 0.02) = 0.357% HB2 LYS+ 66 - HG LEU 90 7.143% * 0.2733% (0.24 1.00 0.02 0.02) = 0.273% HB3 LYS+ 72 - HG LEU 90 7.143% * 0.2733% (0.24 1.00 0.02 0.02) = 0.273% HB2 PRO 104 - HG LEU 90 7.143% * 0.2667% (0.23 1.00 0.02 0.02) = 0.267% HG3 PRO 112 - HG LEU 90 7.143% * 0.2413% (0.21 1.00 0.02 0.02) = 0.241% HD3 LYS+ 117 - HG LEU 90 7.143% * 0.0643% (0.06 1.00 0.02 1.26) = 0.064% Not enough quality. Peak unassigned. Peak 2570 (1.73, 2.03, 27.51 ppm): 12 chemical-shift based assignments, quality = 0.0616, support = 0.234, residual support = 0.156: T HB2 ARG+ 84 - HG3 PRO 86 8.333% * 40.7360% (0.02 10.00 0.22 0.02) = 40.736% kept HB3 GLU- 50 - HG3 PRO 86 8.333% * 37.4354% (0.12 1.00 0.31 0.37) = 37.435% kept HB VAL 94 - HG2 PRO 86 8.333% * 5.5960% (0.01 1.00 0.41 0.02) = 5.596% kept T HB2 ARG+ 84 - HG3 ARG+ 53 8.333% * 4.1390% (0.02 10.00 0.02 0.02) = 4.139% kept HB3 GLU- 50 - HG3 ARG+ 53 8.333% * 2.6294% (0.13 1.00 0.02 0.02) = 2.629% kept HB ILE 48 - HG3 ARG+ 53 8.333% * 2.2407% (0.11 1.00 0.02 0.02) = 2.241% kept HB VAL 94 - HG3 PRO 86 8.333% * 2.2011% (0.03 1.00 0.08 0.02) = 2.201% kept HB ILE 48 - HG3 PRO 86 8.333% * 2.0314% (0.10 1.00 0.02 0.02) = 2.031% kept HB3 GLU- 50 - HG2 PRO 86 8.333% * 1.1912% (0.06 1.00 0.02 0.37) = 1.191% kept HB ILE 48 - HG2 PRO 86 8.333% * 1.0151% (0.05 1.00 0.02 0.02) = 1.015% kept HB VAL 94 - HG3 ARG+ 53 8.333% * 0.5972% (0.03 1.00 0.02 0.02) = 0.597% HB2 ARG+ 84 - HG2 PRO 86 8.333% * 0.1875% (0.01 1.00 0.02 0.02) = 0.188% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2571 (1.67, 1.46, 27.63 ppm): 10 chemical-shift based assignments, quality = 0.151, support = 0.742, residual support = 0.949: T HB3 MET 126 - HG LEU 90 10.000% * 20.9861% (0.30 10.00 0.32 0.02) = 20.986% kept T HG3 ARG+ 84 - HG LEU 90 10.000% * 19.0781% (0.22 10.00 0.40 0.46) = 19.078% kept T HB3 MET 126 - HG LEU 74 10.000% * 18.4156% (0.11 10.00 0.77 1.13) = 18.416% kept T HB3 ARG+ 22 - HG LEU 74 10.000% * 14.5167% (0.05 10.00 1.48 1.63) = 14.517% kept T HG3 ARG+ 84 - HG LEU 74 10.000% * 13.6761% (0.08 10.00 0.79 2.19) = 13.676% kept T HB3 MET 97 - HG LEU 74 10.000% * 12.4794% (0.05 10.00 1.07 0.91) = 12.479% kept T HB3 ARG+ 22 - HG LEU 90 10.000% * 0.5398% (0.13 10.00 0.02 0.02) = 0.540% HD3 LYS+ 55 - HG LEU 74 10.000% * 0.1594% (0.07 1.00 0.10 0.02) = 0.159% HD3 LYS+ 55 - HG LEU 90 10.000% * 0.0849% (0.20 1.00 0.02 0.02) = 0.085% HB3 MET 97 - HG LEU 90 10.000% * 0.0639% (0.15 1.00 0.02 0.02) = 0.064% Not enough quality. Peak unassigned. Peak 2572 (1.63, 1.28, 27.62 ppm): 11 chemical-shift based assignments, quality = 0.253, support = 2.5, residual support = 10.3: T HB ILE 100 - HG LEU 74 9.091% * 55.7157% (0.31 10.00 2.69 11.04) = 55.716% kept T HB3 ARG+ 22 - HG LEU 74 9.091% * 12.7241% (0.09 10.00 1.48 1.63) = 12.724% kept HB2 LEU 67 - HG LEU 74 9.091% * 10.9414% (0.31 1.00 3.93 24.34) = 10.941% kept HG12 ILE 101 - HG LEU 74 9.091% * 8.8920% (0.31 1.00 3.19 12.86) = 8.892% kept T HB3 MET 97 - HG LEU 74 9.091% * 7.4637% (0.08 10.00 1.07 0.91) = 7.464% kept HG2 LYS+ 110 - HG LEU 74 9.091% * 1.3687% (0.16 1.00 0.93 1.01) = 1.369% kept HG3 LYS+ 110 - HG LEU 74 9.091% * 1.0712% (0.15 1.00 0.79 1.01) = 1.071% kept HB3 LEU 17 - HG LEU 74 9.091% * 0.7068% (0.10 1.00 0.74 0.30) = 0.707% HG3 LYS+ 78 - HG LEU 74 9.091% * 0.6320% (0.27 1.00 0.26 0.02) = 0.632% HG LEU 23 - HG LEU 74 9.091% * 0.4705% (0.30 1.00 0.17 0.14) = 0.471% HD3 LYS+ 32 - HG LEU 74 9.091% * 0.0139% (0.08 1.00 0.02 0.37) = 0.014% Peak 2573 (1.61, 0.91, 27.80 ppm): 10 chemical-shift based assignments, quality = 0.227, support = 2.79, residual support = 25.2: O HB2 LEU 67 - QD1 LEU 67 10.000% * 90.7537% (0.23 10.0 2.98 27.70) = 90.754% kept HB ILE 100 - QD1 LEU 67 10.000% * 5.3395% (0.23 1.0 1.18 0.94) = 5.340% kept HG12 ILE 101 - QD1 LEU 67 10.000% * 2.9612% (0.23 1.0 0.65 0.02) = 2.961% kept HG3 LYS+ 78 - QD1 LEU 67 10.000% * 0.4567% (0.29 1.0 0.08 0.02) = 0.457% HG2 LYS+ 110 - QD1 LEU 67 10.000% * 0.1096% (0.28 1.0 0.02 0.02) = 0.110% HG3 LYS+ 110 - QD1 LEU 67 10.000% * 0.1065% (0.27 1.0 0.02 0.02) = 0.107% HB3 LEU 17 - QD1 LEU 67 10.000% * 0.0908% (0.23 1.0 0.02 0.02) = 0.091% HG LEU 23 - QD1 LEU 67 10.000% * 0.0816% (0.21 1.0 0.02 0.02) = 0.082% HD3 LYS+ 32 - QD1 LEU 67 10.000% * 0.0768% (0.19 1.0 0.02 0.02) = 0.077% HB3 LYS+ 32 - QD1 LEU 67 10.000% * 0.0235% (0.06 1.0 0.02 0.02) = 0.024% Peak 2574 (1.50, 2.03, 27.52 ppm): 21 chemical-shift based assignments, quality = 0.0483, support = 0.0805, residual support = 0.0865: T HG LEU 74 - HG3 PRO 86 4.762% * 41.7325% (0.03 10.00 0.12 0.13) = 41.733% kept T HG LEU 74 - HG2 PRO 86 4.762% * 20.8537% (0.01 10.00 0.12 0.13) = 20.854% kept HD3 LYS+ 108 - HG3 ARG+ 53 4.762% * 3.7046% (0.13 1.00 0.02 0.02) = 3.705% kept HB2 LYS+ 72 - HG3 ARG+ 53 4.762% * 3.6312% (0.13 1.00 0.02 0.02) = 3.631% kept HD3 LYS+ 108 - HG3 PRO 86 4.762% * 3.4686% (0.12 1.00 0.02 0.02) = 3.469% kept HG3 LYS+ 72 - HG3 ARG+ 53 4.762% * 3.4198% (0.12 1.00 0.02 0.02) = 3.420% kept HB2 LYS+ 72 - HG3 PRO 86 4.762% * 3.4000% (0.12 1.00 0.02 0.02) = 3.400% kept HG3 LYS+ 72 - HG3 PRO 86 4.762% * 3.2020% (0.12 1.00 0.02 0.02) = 3.202% kept HG LEU 43 - HG3 ARG+ 53 4.762% * 2.3965% (0.09 1.00 0.02 0.02) = 2.397% kept HG LEU 43 - HG3 PRO 86 4.762% * 2.2439% (0.08 1.00 0.02 0.02) = 2.244% kept HD3 LYS+ 108 - HG2 PRO 86 4.762% * 1.7333% (0.06 1.00 0.02 0.02) = 1.733% kept HB2 LYS+ 72 - HG2 PRO 86 4.762% * 1.6990% (0.06 1.00 0.02 0.02) = 1.699% kept HG3 LYS+ 72 - HG2 PRO 86 4.762% * 1.6000% (0.06 1.00 0.02 0.02) = 1.600% kept QB ALA 70 - HG3 ARG+ 53 4.762% * 1.5230% (0.05 1.00 0.02 0.02) = 1.523% kept QB ALA 70 - HG3 PRO 86 4.762% * 1.4260% (0.05 1.00 0.02 0.02) = 1.426% kept HG LEU 43 - HG2 PRO 86 4.762% * 1.1213% (0.04 1.00 0.02 0.02) = 1.121% kept HG LEU 74 - HG3 ARG+ 53 4.762% * 0.7579% (0.03 1.00 0.02 0.02) = 0.758% QB ALA 70 - HG2 PRO 86 4.762% * 0.7126% (0.03 1.00 0.02 0.02) = 0.713% QG2 VAL 80 - HG3 ARG+ 53 4.762% * 0.5716% (0.02 1.00 0.02 0.02) = 0.572% QG2 VAL 80 - HG3 PRO 86 4.762% * 0.5352% (0.02 1.00 0.02 0.02) = 0.535% QG2 VAL 80 - HG2 PRO 86 4.762% * 0.2674% (0.01 1.00 0.02 0.02) = 0.267% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2575 (1.46, 1.68, 27.63 ppm): 5 chemical-shift based assignments, quality = 0.203, support = 0.628, residual support = 1.51: T HG LEU 74 - HG3 ARG+ 84 20.000% * 61.3887% (0.18 10.00 0.79 2.19) = 61.389% kept T HG LEU 90 - HG3 ARG+ 84 20.000% * 33.8294% (0.20 10.00 0.40 0.46) = 33.829% kept HB3 LEU 67 - HG3 ARG+ 84 20.000% * 4.4397% (0.59 1.00 0.18 0.27) = 4.440% kept QB ALA 70 - HG3 ARG+ 84 20.000% * 0.2056% (0.24 1.00 0.02 0.02) = 0.206% HB3 LYS+ 60 - HG3 ARG+ 84 20.000% * 0.1366% (0.16 1.00 0.02 0.02) = 0.137% Peak 2576 (1.44, 0.81, 27.73 ppm): 1 diagonal assignment: HG LEU 74 - HG LEU 74 (0.02) kept Peak 2578 (1.17, 1.45, 27.52 ppm): 1 diagonal assignment: HG LEU 74 - HG LEU 74 (0.21) kept Peak 2579 (0.92, 2.03, 27.57 ppm): 28 chemical-shift based assignments, quality = 0.0779, support = 0.506, residual support = 5.41: QG2 VAL 87 - HG3 PRO 86 3.571% * 47.5475% (0.09 0.87 8.20) = 47.548% kept QG2 VAL 87 - HG2 PRO 86 3.571% * 18.2430% (0.07 0.42 8.20) = 18.243% kept HG LEU 74 - HG3 PRO 86 3.571% * 7.6049% (0.10 0.12 0.13) = 7.605% kept HG LEU 74 - HG2 PRO 86 3.571% * 6.0348% (0.08 0.12 0.13) = 6.035% kept QG2 VAL 73 - HG3 PRO 86 3.571% * 2.0827% (0.16 0.02 0.02) = 2.083% kept QG2 VAL 73 - HG2 PRO 86 3.571% * 1.6527% (0.13 0.02 0.02) = 1.653% kept QD1 LEU 17 - HG3 PRO 86 3.571% * 1.4338% (0.11 0.02 0.02) = 1.434% kept QG1 VAL 105 - HG3 PRO 86 3.571% * 1.3503% (0.11 0.02 0.02) = 1.350% kept HG13 ILE 68 - HG3 PRO 86 3.571% * 1.1818% (0.09 0.02 0.02) = 1.182% kept QD1 LEU 17 - HG2 PRO 86 3.571% * 1.1378% (0.09 0.02 0.02) = 1.138% kept QG1 VAL 105 - HG2 PRO 86 3.571% * 1.0715% (0.08 0.02 0.02) = 1.072% kept QD1 LEU 67 - HG3 PRO 86 3.571% * 1.0160% (0.08 0.02 0.02) = 1.016% kept HG13 ILE 68 - HG2 PRO 86 3.571% * 0.9378% (0.07 0.02 0.02) = 0.938% QG1 VAL 47 - HG3 PRO 86 3.571% * 0.8581% (0.07 0.02 0.02) = 0.858% QD1 LEU 67 - HG2 PRO 86 3.571% * 0.8062% (0.06 0.02 0.02) = 0.806% QG2 VAL 105 - HG3 PRO 86 3.571% * 0.7834% (0.06 0.02 0.02) = 0.783% HG12 ILE 29 - HG3 PRO 86 3.571% * 0.7120% (0.06 0.02 0.02) = 0.712% QG1 VAL 47 - HG2 PRO 86 3.571% * 0.6810% (0.05 0.02 0.02) = 0.681% QG2 VAL 62 - HG3 PRO 86 3.571% * 0.6442% (0.05 0.02 0.02) = 0.644% QG2 VAL 105 - HG2 PRO 86 3.571% * 0.6217% (0.05 0.02 0.02) = 0.622% HG12 ILE 29 - HG2 PRO 86 3.571% * 0.5650% (0.04 0.02 0.02) = 0.565% HG12 ILE 68 - HG3 PRO 86 3.571% * 0.5205% (0.04 0.02 0.02) = 0.520% QG2 ILE 29 - HG3 PRO 86 3.571% * 0.5205% (0.04 0.02 0.02) = 0.520% QG2 VAL 62 - HG2 PRO 86 3.571% * 0.5112% (0.04 0.02 0.02) = 0.511% HG12 ILE 68 - HG2 PRO 86 3.571% * 0.4130% (0.03 0.02 0.02) = 0.413% QG2 ILE 29 - HG2 PRO 86 3.571% * 0.4130% (0.03 0.02 0.02) = 0.413% HG3 LYS+ 63 - HG3 PRO 86 3.571% * 0.3656% (0.03 0.02 0.02) = 0.366% HG3 LYS+ 63 - HG2 PRO 86 3.571% * 0.2901% (0.02 0.02 0.02) = 0.290% Peak 2581 (0.82, 1.45, 27.71 ppm): 1 diagonal assignment: HG LEU 74 - HG LEU 74 (0.02) kept Peak 2582 (0.84, 1.16, 27.48 ppm): 1 diagonal assignment: HG LEU 74 - HG LEU 74 (0.32) kept Peak 2583 (0.73, 1.27, 27.62 ppm): 1 diagonal assignment: HG LEU 74 - HG LEU 74 (0.05) kept Peak 2584 (0.72, 0.71, 27.66 ppm): 2 diagonal assignments: HG2 PRO 59 - HG2 PRO 59 (0.12) kept HG LEU 74 - HG LEU 74 (0.01) kept Peak 2585 (0.56, 1.28, 27.59 ppm): 3 chemical-shift based assignments, quality = 0.349, support = 2.43, residual support = 12.7: T QD1 ILE 101 - HG LEU 74 33.333% * 94.5114% (0.36 10.00 2.42 12.86) = 94.511% kept HG13 ILE 101 - HG LEU 74 33.333% * 4.2434% (0.10 1.00 3.22 12.86) = 4.243% kept T QD1 LEU 23 - HG LEU 74 33.333% * 1.2452% (0.06 10.00 0.17 0.14) = 1.245% kept Peak 2586 (0.46, 0.72, 27.61 ppm): 6 chemical-shift based assignments, quality = 0.0784, support = 3.26, residual support = 46.2: O T QD2 LEU 74 - HG LEU 74 16.667% * 69.7267% (0.05 10.0 10.00 4.07 64.26) = 69.727% kept QG2 ILE 68 - HG LEU 74 16.667% * 9.7352% (0.05 1.0 1.00 2.65 9.35) = 9.735% kept QD2 LEU 74 - HG2 PRO 59 16.667% * 7.5462% (0.25 1.0 1.00 0.43 0.02) = 7.546% kept QD2 LEU 43 - HG LEU 74 16.667% * 6.7084% (0.06 1.0 1.00 1.67 6.55) = 6.708% kept QD2 LEU 43 - HG2 PRO 59 16.667% * 5.9172% (0.28 1.0 1.00 0.30 0.02) = 5.917% kept QG2 ILE 68 - HG2 PRO 59 16.667% * 0.3662% (0.26 1.0 1.00 0.02 0.02) = 0.366% Peak 2587 (-0.03, 0.71, 27.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2588 (8.45, 1.78, 27.37 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2591 (3.28, 1.78, 27.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2604 (1.45, 1.44, 27.27 ppm): 2 diagonal assignments: HG LEU 90 - HG LEU 90 (0.63) kept HG LEU 74 - HG LEU 74 (0.09) kept Peak 2605 (1.45, 1.16, 27.45 ppm): 1 diagonal assignment: HG LEU 74 - HG LEU 74 (0.27) kept Peak 2611 (1.16, 1.15, 27.44 ppm): 2 diagonal assignments: HG LEU 74 - HG LEU 74 (0.89) kept HG3 PRO 59 - HG3 PRO 59 (0.80) kept Peak 2614 (0.90, 0.92, 27.41 ppm): 1 diagonal assignment: HG LEU 74 - HG LEU 74 (0.32) kept Peak 2617 (4.32, 1.57, 27.07 ppm): 7 chemical-shift based assignments, quality = 0.582, support = 1.72, residual support = 3.57: HA ILE 29 - HG LEU 17 14.286% * 44.8749% (0.86 1.00 2.77 6.02) = 44.875% kept T HA LEU 90 - HG LEU 17 14.286% * 39.7976% (0.23 10.00 0.93 2.00) = 39.798% kept HA PRO 104 - HG LEU 17 14.286% * 10.6556% (0.62 1.00 0.91 0.61) = 10.656% kept HA PRO 112 - HG LEU 17 14.286% * 4.4278% (0.90 1.00 0.26 0.02) = 4.428% kept HA VAL 94 - HG LEU 17 14.286% * 0.1058% (0.28 1.00 0.02 0.02) = 0.106% HB THR 61 - HG LEU 17 14.286% * 0.0855% (0.23 1.00 0.02 0.02) = 0.085% HA THR 106 - HG LEU 17 14.286% * 0.0529% (0.14 1.00 0.02 0.02) = 0.053% Peak 2618 (4.32, 0.99, 26.96 ppm): 6 chemical-shift based assignments, quality = 0.073, support = 0.743, residual support = 0.419: T HA ILE 29 - HG LEU 74 16.667% * 40.3842% (0.11 10.00 0.57 0.32) = 40.384% kept T HA VAL 94 - HG LEU 74 16.667% * 24.8790% (0.04 10.00 0.95 0.72) = 24.879% kept T HB THR 61 - HG LEU 74 16.667% * 19.2464% (0.03 10.00 0.90 0.26) = 19.246% kept T HA LEU 90 - HG LEU 74 16.667% * 7.6876% (0.03 10.00 0.45 0.02) = 7.688% kept HA PRO 104 - HG LEU 74 16.667% * 5.4792% (0.08 1.00 1.10 1.08) = 5.479% kept HA PRO 112 - HG LEU 74 16.667% * 2.3236% (0.12 1.00 0.30 0.02) = 2.324% kept Not enough quality. 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): 7 chemical-shift based assignments, quality = 0.315, support = 1.63, residual support = 5.5: T QG2 ILE 29 - HG LEU 17 14.286% * 52.0125% (0.32 10.00 1.70 6.02) = 52.013% kept T HG12 ILE 29 - HG LEU 17 14.286% * 38.8871% (0.24 10.00 1.72 6.02) = 38.887% kept HG LEU 74 - HG LEU 17 14.286% * 6.1779% (0.64 1.00 1.01 0.30) = 6.178% kept QG2 VAL 99 - HG LEU 17 14.286% * 2.7316% (0.62 1.00 0.46 0.33) = 2.732% kept HG3 LYS+ 63 - HG LEU 17 14.286% * 0.0794% (0.41 1.00 0.02 0.02) = 0.079% HG12 ILE 68 - HG LEU 17 14.286% * 0.0612% (0.32 1.00 0.02 0.02) = 0.061% QG2 VAL 62 - HG LEU 17 14.286% * 0.0503% (0.26 1.00 0.02 0.02) = 0.050% Peak 2633 (0.84, 1.56, 27.04 ppm): 12 chemical-shift based assignments, quality = 0.676, support = 1.88, residual support = 11.1: T QD1 ILE 29 - HG LEU 17 8.333% * 58.7101% (0.89 1.0 10.00 1.46 6.02) = 58.710% kept O T QD2 LEU 17 - HG LEU 17 8.333% * 31.9507% (0.35 10.0 10.00 3.10 23.57) = 31.951% kept T QD2 LEU 90 - HG LEU 17 8.333% * 3.6370% (0.26 1.0 10.00 0.31 2.00) = 3.637% kept T HG2 LYS+ 117 - HG LEU 17 8.333% * 2.9574% (0.84 1.0 10.00 0.08 0.02) = 2.957% kept HG LEU 74 - HG LEU 17 8.333% * 1.6888% (0.37 1.0 1.00 1.01 0.30) = 1.689% kept T HG3 LYS+ 117 - HG LEU 17 8.333% * 0.6506% (0.72 1.0 10.00 0.02 0.02) = 0.651% HG2 LYS+ 113 - HG LEU 17 8.333% * 0.2206% (0.65 1.0 1.00 0.08 0.02) = 0.221% HB ILE 101 - HG LEU 17 8.333% * 0.0516% (0.57 1.0 1.00 0.02 0.02) = 0.052% QG1 VAL 94 - HG LEU 17 8.333% * 0.0516% (0.57 1.0 1.00 0.02 0.02) = 0.052% HG3 LYS+ 113 - HG LEU 17 8.333% * 0.0414% (0.46 1.0 1.00 0.02 0.02) = 0.041% QD1 LEU 90 - HG LEU 17 8.333% * 0.0212% (0.23 1.0 1.00 0.02 2.00) = 0.021% QG2 ILE 100 - HG LEU 17 8.333% * 0.0190% (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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2644 (3.46, 3.45, 67.59 ppm): 1 diagonal assignment: HA VAL 80 - HA VAL 80 (0.64) kept Peak 2645 (2.28, 3.45, 67.62 ppm): 4 chemical-shift based assignments, quality = 0.155, support = 1.77, residual support = 11.5: O HB VAL 80 - HA VAL 80 25.000% * 99.4223% (0.16 10.0 1.78 11.62) = 99.422% kept HB2 PRO 86 - HA VAL 80 25.000% * 0.2441% (0.34 1.0 0.02 0.02) = 0.244% HA1 GLY 58 - HA VAL 80 25.000% * 0.2343% (0.33 1.0 0.02 0.02) = 0.234% HG3 GLU- 64 - HA VAL 80 25.000% * 0.0992% (0.14 1.0 0.02 0.02) = 0.099% 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): 5 chemical-shift based assignments, quality = 0.0884, support = 1.28, residual support = 7.31: O QG2 THR 46 - HA THR 46 20.000% * 86.4545% (0.09 10.0 1.29 8.34) = 86.454% kept HG LEU 74 - HA THR 46 20.000% * 11.9907% (0.12 1.0 1.31 0.82) = 11.991% kept HB2 LYS+ 55 - HA THR 46 20.000% * 1.2159% (0.05 1.0 0.32 0.02) = 1.216% kept QB ALA 103 - HA THR 46 20.000% * 0.2701% (0.17 1.0 0.02 0.02) = 0.270% HB2 LEU 17 - HA THR 46 20.000% * 0.0687% (0.04 1.0 0.02 0.02) = 0.069% Peak 2649 (0.91, 3.45, 67.57 ppm): 12 chemical-shift based assignments, quality = 0.208, support = 1.3, residual support = 9.17: O QG1 VAL 80 - HA VAL 80 8.333% * 78.1415% (0.18 10.0 1.36 11.62) = 78.142% kept HG LEU 74 - HA VAL 80 8.333% * 15.8658% (0.34 1.0 1.43 0.56) = 15.866% kept QG2 VAL 105 - HA VAL 80 8.333% * 4.0615% (0.39 1.0 0.32 0.02) = 4.062% kept QG2 VAL 73 - HA VAL 80 8.333% * 0.3346% (0.51 1.0 0.02 0.02) = 0.335% HG13 ILE 68 - HA VAL 80 8.333% * 0.3236% (0.50 1.0 0.02 0.02) = 0.324% QG2 VAL 87 - HA VAL 80 8.333% * 0.3116% (0.48 1.0 0.02 0.02) = 0.312% QD1 LEU 67 - HA VAL 80 8.333% * 0.2987% (0.46 1.0 0.02 0.02) = 0.299% QG1 VAL 47 - HA VAL 80 8.333% * 0.2709% (0.42 1.0 0.02 0.02) = 0.271% QD1 LEU 17 - HA VAL 80 8.333% * 0.1400% (0.21 1.0 0.02 0.02) = 0.140% QG1 VAL 105 - HA VAL 80 8.333% * 0.1273% (0.20 1.0 0.02 0.02) = 0.127% QG1 VAL 122 - HA VAL 80 8.333% * 0.0738% (0.11 1.0 0.02 0.02) = 0.074% HG12 ILE 29 - HA VAL 80 8.333% * 0.0505% (0.08 1.0 0.02 0.02) = 0.050% Peak 2651 (8.88, 0.91, 26.07 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2652 (7.33, 3.08, 67.44 ppm): 6 chemical-shift based assignments, quality = 0.439, support = 3.87, residual support = 35.1: O HN VAL 47 - HA VAL 47 16.667% * 93.4271% (0.44 10.0 4.11 37.60) = 93.427% kept QD PHE 34 - HA VAL 47 16.667% * 2.9173% (0.47 1.0 0.59 0.02) = 2.917% kept HZ PHE 34 - HA VAL 47 16.667% * 1.7618% (0.47 1.0 0.35 0.02) = 1.762% kept HN ARG+ 84 - HA VAL 47 16.667% * 1.3383% (0.42 1.0 0.30 0.02) = 1.338% kept QE PHE 34 - HA VAL 47 16.667% * 0.4561% (0.47 1.0 0.09 0.02) = 0.456% HZ2 TRP 51 - HA VAL 47 16.667% * 0.0994% (0.47 1.0 0.02 3.01) = 0.099% Peak 2653 (7.05, 0.91, 26.07 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2654 (6.89, 0.91, 26.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2655 (5.57, 0.90, 26.07 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2656 (4.71, 0.91, 26.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2657 (3.09, 3.08, 67.42 ppm): 1 diagonal assignment: HA VAL 47 - HA VAL 47 (0.52) kept Peak 2661 (1.42, 0.91, 25.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2662 (1.20, 0.91, 26.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2664 (0.89, 3.08, 67.43 ppm): 14 chemical-shift based assignments, quality = 0.434, support = 3.47, residual support = 36.5: O QG2 VAL 47 - HA VAL 47 7.143% * 55.6707% (0.49 10.0 3.70 37.60) = 55.671% kept O QG1 VAL 47 - HA VAL 47 7.143% * 41.4256% (0.37 10.0 3.32 37.60) = 41.426% kept HG LEU 74 - HA VAL 47 7.143% * 2.4595% (0.28 1.0 1.55 0.85) = 2.460% kept QG1 VAL 80 - HA VAL 47 7.143% * 0.0598% (0.53 1.0 0.02 0.02) = 0.060% QG1 VAL 122 - HA VAL 47 7.143% * 0.0598% (0.53 1.0 0.02 0.02) = 0.060% QG2 VAL 125 - HA VAL 47 7.143% * 0.0541% (0.48 1.0 0.02 0.02) = 0.054% QG1 VAL 40 - HA VAL 47 7.143% * 0.0523% (0.46 1.0 0.02 0.02) = 0.052% QG2 VAL 105 - HA VAL 47 7.143% * 0.0438% (0.39 1.0 0.02 0.02) = 0.044% QG2 VAL 122 - HA VAL 47 7.143% * 0.0366% (0.32 1.0 0.02 0.02) = 0.037% QD1 LEU 67 - HA VAL 47 7.143% * 0.0366% (0.32 1.0 0.02 0.02) = 0.037% QG2 VAL 87 - HA VAL 47 7.143% * 0.0341% (0.30 1.0 0.02 0.02) = 0.034% HG13 ILE 68 - HA VAL 47 7.143% * 0.0317% (0.28 1.0 0.02 0.02) = 0.032% QG2 ILE 100 - HA VAL 47 7.143% * 0.0186% (0.16 1.0 0.02 0.02) = 0.019% QD1 LEU 90 - HA VAL 47 7.143% * 0.0168% (0.15 1.0 0.02 0.02) = 0.017% Peak 2665 (0.11, 3.08, 67.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2666 (0.11, 0.91, 26.02 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2667 (8.82, 0.45, 25.58 ppm): 3 chemical-shift based assignments, quality = 0.879, support = 1.38, residual support = 0.96: HN ASN 57 - QD2 LEU 74 33.333% * 64.4047% (0.87 1.85 1.33) = 64.405% kept HN LYS+ 32 - QD2 LEU 74 33.333% * 22.8898% (0.91 0.63 0.37) = 22.890% kept HN LYS+ 60 - QD2 LEU 74 33.333% * 12.7054% (0.88 0.36 0.14) = 12.705% kept Peak 2668 (8.47, 0.45, 25.58 ppm): 5 chemical-shift based assignments, quality = 0.637, support = 3.65, residual support = 40.2: HN LEU 74 - QD2 LEU 74 20.000% * 62.1174% (0.55 5.46 64.26) = 62.117% kept HN LYS+ 113 - QD2 LEU 74 20.000% * 15.2472% (0.85 0.86 0.30) = 15.247% kept HN GLY 92 - QD2 LEU 74 20.000% * 10.6846% (0.85 0.60 0.10) = 10.685% kept HN GLU- 18 - QD2 LEU 74 20.000% * 7.1626% (0.47 0.73 2.48) = 7.163% kept HN GLU- 107 - QD2 LEU 74 20.000% * 4.7881% (0.90 0.26 0.02) = 4.788% kept Peak 2669 (7.99, 1.62, 25.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2670 (7.98, 0.48, 25.65 ppm): 4 chemical-shift based assignments, quality = 0.24, support = 1.3, residual support = 6.46: HN LEU 43 - QD2 LEU 74 25.000% * 98.6234% (0.24 1.32 6.55) = 98.623% kept HN MET 126 - QD2 LEU 74 25.000% * 0.8504% (0.14 0.02 1.13) = 0.850% HN LYS+ 111 - QD2 LEU 74 25.000% * 0.2631% (0.04 0.02 0.02) = 0.263% HN SER 27 - QD2 LEU 74 25.000% * 0.2631% (0.04 0.02 0.02) = 0.263% Peak 2671 (4.99, 0.45, 25.51 ppm): 2 chemical-shift based assignments, quality = 0.897, support = 1.73, residual support = 9.29: HA ILE 68 - QD2 LEU 74 50.000% * 99.3511% (0.90 1.75 9.35) = 99.351% kept HA PHE 34 - QD2 LEU 74 50.000% * 0.6489% (0.51 0.02 1.09) = 0.649% Peak 2672 (3.72, 0.47, 25.58 ppm): 3 chemical-shift based assignments, quality = 0.42, support = 1.12, residual support = 5.52: HA LEU 43 - QD2 LEU 74 33.333% * 58.2720% (0.37 1.55 6.55) = 58.272% kept HA ILE 48 - QD2 LEU 74 33.333% * 30.4762% (0.59 0.51 5.19) = 30.476% kept HD3 PRO 104 - QD2 LEU 74 33.333% * 11.2518% (0.19 0.59 1.08) = 11.252% kept Peak 2673 (3.45, 0.48, 25.58 ppm): 8 chemical-shift based assignments, quality = 0.183, support = 0.556, residual support = 2.01: HB2 SER 69 - QD2 LEU 74 12.500% * 35.2001% (0.13 0.92 1.77) = 35.200% kept HA VAL 62 - QD2 LEU 74 12.500% * 30.0902% (0.26 0.39 2.56) = 30.090% kept HD3 PRO 31 - QD2 LEU 74 12.500% * 18.4018% (0.21 0.30 0.02) = 18.402% kept HA ILE 48 - QD2 LEU 74 12.500% * 11.6900% (0.08 0.51 5.19) = 11.690% kept HA VAL 80 - QD2 LEU 74 12.500% * 2.0147% (0.34 0.02 0.56) = 2.015% kept HA1 GLY 71 - QD2 LEU 74 12.500% * 1.3149% (0.22 0.02 0.02) = 1.315% kept HB THR 79 - QD2 LEU 74 12.500% * 0.8357% (0.14 0.02 0.02) = 0.836% HA THR 39 - QD2 LEU 74 12.500% * 0.4525% (0.08 0.02 0.72) = 0.453% Not enough quality. Peak unassigned. Peak 2674 (2.11, 0.48, 25.60 ppm): 13 chemical-shift based assignments, quality = 0.216, support = 1.46, residual support = 3.67: HB3 GLU- 75 - QD2 LEU 74 7.692% * 36.8722% (0.25 2.12 3.20) = 36.872% kept HB3 LEU 43 - QD2 LEU 74 7.692% * 29.0100% (0.26 1.62 6.55) = 29.010% kept HG3 GLU- 56 - QD2 LEU 74 7.692% * 7.3193% (0.26 0.40 0.02) = 7.319% kept HB2 LEU 43 - QD2 LEU 74 7.692% * 6.9800% (0.08 1.24 6.55) = 6.980% kept HB VAL 87 - QD2 LEU 74 7.692% * 6.3972% (0.16 0.58 0.02) = 6.397% kept HB VAL 65 - QD2 LEU 74 7.692% * 2.7898% (0.17 0.24 0.02) = 2.790% kept HB VAL 125 - QD2 LEU 74 7.692% * 2.6274% (0.09 0.42 2.58) = 2.627% kept HA1 GLY 58 - QD2 LEU 74 7.692% * 2.5448% (0.05 0.69 0.33) = 2.545% kept HB2 ASP- 28 - QD2 LEU 74 7.692% * 2.3416% (0.08 0.42 1.21) = 2.342% kept HB2 LYS+ 110 - QD2 LEU 74 7.692% * 2.2074% (0.07 0.48 1.01) = 2.207% kept HB VAL 47 - QD2 LEU 74 7.692% * 0.7740% (0.08 0.14 0.85) = 0.774% HD3 LYS+ 110 - QD2 LEU 74 7.692% * 0.0723% (0.05 0.02 1.01) = 0.072% HG3 GLN 102 - QD2 LEU 74 7.692% * 0.0640% (0.05 0.02 1.82) = 0.064% Peak 2675 (1.63, 0.91, 25.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2676 (1.64, 0.48, 25.61 ppm): 9 chemical-shift based assignments, quality = 0.192, support = 1.32, residual support = 11.2: HB2 LEU 67 - QD2 LEU 74 11.111% * 42.2806% (0.21 1.69 24.34) = 42.281% kept HG3 ARG+ 84 - QD2 LEU 74 11.111% * 28.6000% (0.17 1.41 2.19) = 28.600% kept HB3 MET 97 - QD2 LEU 74 11.111% * 22.1661% (0.24 0.75 0.91) = 22.166% kept HB3 MET 126 - QD2 LEU 74 11.111% * 4.4867% (0.05 0.75 1.13) = 4.487% kept HB3 ARG+ 22 - QD2 LEU 74 11.111% * 0.6446% (0.27 0.02 1.63) = 0.645% HG LEU 23 - QD2 LEU 74 11.111% * 0.5604% (0.23 0.02 0.14) = 0.560% HG12 ILE 101 - QD2 LEU 74 11.111% * 0.4992% (0.21 0.02 12.86) = 0.499% HB ILE 100 - QD2 LEU 74 11.111% * 0.4992% (0.21 0.02 11.04) = 0.499% HG3 LYS+ 78 - QD2 LEU 74 11.111% * 0.2632% (0.11 0.02 0.02) = 0.263% Peak 2677 (1.46, 0.47, 25.55 ppm): 7 chemical-shift based assignments, quality = 0.28, support = 2.36, residual support = 38.7: T HB3 LEU 67 - QD2 LEU 74 14.286% * 62.3616% (0.36 1.0 10.00 1.39 24.34) = 62.362% kept O T HG LEU 74 - QD2 LEU 74 14.286% * 36.6029% (0.15 10.0 10.00 4.07 64.26) = 36.603% kept HB3 LYS+ 60 - QD2 LEU 74 14.286% * 0.8881% (0.22 1.0 1.00 0.32 0.14) = 0.888% HG LEU 90 - QD2 LEU 74 14.286% * 0.0648% (0.26 1.0 1.00 0.02 0.02) = 0.065% HG3 LYS+ 55 - QD2 LEU 74 14.286% * 0.0307% (0.12 1.0 1.00 0.02 0.02) = 0.031% HD3 LYS+ 113 - QD2 LEU 74 14.286% * 0.0274% (0.11 1.0 1.00 0.02 0.30) = 0.027% QB ALA 70 - QD2 LEU 74 14.286% * 0.0244% (0.10 1.0 1.00 0.02 0.02) = 0.024% Peak 2679 (1.19, 0.47, 25.61 ppm): 6 chemical-shift based assignments, quality = 0.494, support = 3.2, residual support = 42.9: T HB ILE 68 - QD2 LEU 74 16.667% * 38.0060% (0.55 1.0 10.00 2.05 9.35) = 38.006% kept O T HG LEU 74 - QD2 LEU 74 16.667% * 36.5743% (0.53 10.0 10.00 4.07 64.26) = 36.574% kept O HB2 LEU 74 - QD2 LEU 74 16.667% * 24.6410% (0.36 10.0 1.00 3.78 64.26) = 24.641% kept QG2 THR 106 - QD2 LEU 74 16.667% * 0.7441% (0.29 1.0 1.00 0.74 0.75) = 0.744% HB3 LYS+ 66 - QD2 LEU 74 16.667% * 0.0262% (0.38 1.0 1.00 0.02 1.23) = 0.026% HG3 PRO 59 - QD2 LEU 74 16.667% * 0.0085% (0.12 1.0 1.00 0.02 0.02) = 0.008% Peak 2682 (0.91, 1.62, 25.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2683 (0.89, 0.48, 25.57 ppm): 14 chemical-shift based assignments, quality = 0.193, support = 3.56, residual support = 51.2: O HG LEU 74 - QD2 LEU 74 7.143% * 75.9568% (0.19 10.0 4.07 64.26) = 75.957% kept HG13 ILE 68 - QD2 LEU 74 7.143% * 13.1485% (0.21 1.0 3.03 9.35) = 13.148% kept QG2 VAL 125 - QD2 LEU 74 7.143% * 4.4691% (0.29 1.0 0.75 2.58) = 4.469% kept QD1 LEU 67 - QD2 LEU 74 7.143% * 4.1750% (0.24 1.0 0.85 24.34) = 4.175% kept QG1 VAL 47 - QD2 LEU 74 7.143% * 0.7512% (0.27 1.0 0.14 0.85) = 0.751% QG2 VAL 105 - QD2 LEU 74 7.143% * 0.4373% (0.28 1.0 0.08 0.63) = 0.437% QG2 VAL 87 - QD2 LEU 74 7.143% * 0.3991% (0.23 1.0 0.09 0.02) = 0.399% QG1 VAL 80 - QD2 LEU 74 7.143% * 0.1432% (0.35 1.0 0.02 0.56) = 0.143% QG1 VAL 122 - QD2 LEU 74 7.143% * 0.1382% (0.34 1.0 0.02 5.46) = 0.138% QG2 VAL 47 - QD2 LEU 74 7.143% * 0.1242% (0.31 1.0 0.02 0.85) = 0.124% QG1 VAL 40 - QD2 LEU 74 7.143% * 0.1146% (0.28 1.0 0.02 0.02) = 0.115% QG2 VAL 122 - QD2 LEU 74 7.143% * 0.0753% (0.19 1.0 0.02 5.46) = 0.075% QG2 ILE 100 - QD2 LEU 74 7.143% * 0.0357% (0.09 1.0 0.02 11.04) = 0.036% QD1 LEU 90 - QD2 LEU 74 7.143% * 0.0319% (0.08 1.0 0.02 0.02) = 0.032% Peak 2687 (0.48, 1.62, 25.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2688 (0.47, 0.46, 25.58 ppm): 1 diagonal assignment: QD2 LEU 74 - QD2 LEU 74 (0.38) kept Peak 2691 (-0.06, 0.47, 25.59 ppm): 1 chemical-shift based assignment, quality = 0.442, support = 3.62, residual support = 64.3: O T QD1 LEU 74 - QD2 LEU 74 100.000% *100.0000% (0.44 10.0 10.00 3.62 64.26) = 100.000% kept Peak 2692 (-0.11, 1.62, 25.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2693 (8.60, 0.89, 25.32 ppm): 8 chemical-shift based assignments, quality = 0.132, support = 0.333, residual support = 0.113: HN THR 39 - QD1 LEU 90 12.500% * 68.5542% (0.13 0.45 0.16) = 68.554% kept HN LYS+ 20 - QD1 LEU 17 12.500% * 16.7330% (0.13 0.11 0.02) = 16.733% kept HN LYS+ 20 - QD1 LEU 90 12.500% * 4.3095% (0.19 0.02 0.02) = 4.310% kept HN VAL 80 - QD1 LEU 90 12.500% * 2.8442% (0.13 0.02 0.02) = 2.844% kept HN VAL 73 - QD1 LEU 90 12.500% * 2.1401% (0.10 0.02 0.02) = 2.140% kept HN THR 39 - QD1 LEU 17 12.500% * 2.0446% (0.09 0.02 0.02) = 2.045% kept HN VAL 80 - QD1 LEU 17 12.500% * 1.9256% (0.09 0.02 0.02) = 1.926% kept HN VAL 73 - QD1 LEU 17 12.500% * 1.4488% (0.06 0.02 0.02) = 1.449% kept Not enough quality. Peak unassigned. Peak 2694 (7.84, 1.40, 25.25 ppm): 6 chemical-shift based assignments, quality = 0.156, support = 0.231, residual support = 0.0198: HN THR 38 - HG3 LYS+ 108 16.667% * 77.1250% (0.15 0.29 0.02) = 77.125% kept HN LYS+ 63 - HG3 LYS+ 108 16.667% * 11.2149% (0.31 0.02 0.02) = 11.215% kept HN LYS+ 63 - HG3 LYS+ 55 16.667% * 6.5541% (0.04 0.09 0.02) = 6.554% kept HD22 ASN 89 - HG3 LYS+ 108 16.667% * 3.8596% (0.11 0.02 0.02) = 3.860% kept HN THR 38 - HG3 LYS+ 55 16.667% * 0.7241% (0.02 0.02 0.02) = 0.724% HD22 ASN 89 - HG3 LYS+ 55 16.667% * 0.5223% (0.01 0.02 0.02) = 0.522% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2695 (4.04, 0.90, 25.23 ppm): 10 chemical-shift based assignments, quality = 0.107, support = 0.295, residual support = 0.0194: T HB3 SER 77 - QD1 LEU 17 10.000% * 76.9815% (0.09 10.00 0.38 0.02) = 76.981% kept T HA LYS+ 44 - QD1 LEU 90 10.000% * 9.7790% (0.22 10.00 0.02 0.02) = 9.779% kept T HA LYS+ 44 - QD1 LEU 17 10.000% * 6.5554% (0.15 10.00 0.02 0.02) = 6.555% kept T HB THR 38 - QD1 LEU 17 10.000% * 3.4742% (0.08 10.00 0.02 0.02) = 3.474% kept HB3 SER 85 - QD1 LEU 90 10.000% * 0.9829% (0.23 1.00 0.02 0.02) = 0.983% HB3 SER 85 - QD1 LEU 17 10.000% * 0.6589% (0.15 1.00 0.02 0.02) = 0.659% HB3 SER 77 - QD1 LEU 90 10.000% * 0.6065% (0.14 1.00 0.02 0.02) = 0.607% HB THR 38 - QD1 LEU 90 10.000% * 0.5183% (0.12 1.00 0.02 0.02) = 0.518% HB2 SER 49 - QD1 LEU 90 10.000% * 0.2655% (0.06 1.00 0.02 0.02) = 0.265% HB2 SER 49 - QD1 LEU 17 10.000% * 0.1780% (0.04 1.00 0.02 0.02) = 0.178% Not enough quality. Peak unassigned. Peak 2696 (3.50, 1.95, 25.37 ppm): 3 chemical-shift based assignments, quality = 0.598, support = 3.12, residual support = 7.49: HA1 GLY 30 - HG3 PRO 31 33.333% * 81.7839% (0.60 3.69 9.09) = 81.784% kept HB3 SER 69 - HG3 PRO 31 33.333% * 14.7606% (0.69 0.58 0.12) = 14.761% kept HA ILE 48 - HG3 PRO 31 33.333% * 3.4554% (0.27 0.35 1.25) = 3.455% kept Peak 2697 (3.49, 1.77, 25.40 ppm): 5 chemical-shift based assignments, quality = 0.383, support = 4.28, residual support = 13.3: HA1 GLY 30 - HG2 PRO 31 20.000% * 49.9866% (0.57 1.0 1.00 5.59 9.09) = 49.987% kept O T HD3 PRO 31 - HG2 PRO 31 20.000% * 39.9362% (0.13 10.0 10.00 3.46 21.97) = 39.936% kept HB3 SER 69 - HG2 PRO 31 20.000% * 8.9121% (0.51 1.0 1.00 1.11 0.12) = 8.912% kept HA ILE 48 - HG2 PRO 31 20.000% * 1.1295% (0.21 1.0 1.00 0.35 1.25) = 1.129% kept HA1 GLY 71 - HG2 PRO 31 20.000% * 0.0355% (0.11 1.0 1.00 0.02 0.02) = 0.035% Peak 2698 (2.27, 0.90, 25.33 ppm): 8 chemical-shift based assignments, quality = 0.0624, support = 0.57, residual support = 0.266: HA1 GLY 58 - QD1 LEU 17 12.500% * 64.0756% (0.06 1.00 0.80 0.36) = 64.076% kept HA1 GLY 58 - QD1 LEU 90 12.500% * 22.7513% (0.07 1.00 0.24 0.14) = 22.751% kept T HB2 PRO 86 - QD1 LEU 17 12.500% * 6.2446% (0.02 10.00 0.02 0.02) = 6.245% kept HB VAL 80 - QD1 LEU 90 12.500% * 2.4175% (0.09 1.00 0.02 0.02) = 2.417% kept HB VAL 80 - QD1 LEU 17 12.500% * 2.0187% (0.08 1.00 0.02 0.02) = 2.019% kept HG2 GLU- 56 - QD1 LEU 90 12.500% * 0.9507% (0.04 1.00 0.02 0.02) = 0.951% HG2 GLU- 56 - QD1 LEU 17 12.500% * 0.7938% (0.03 1.00 0.02 0.02) = 0.794% HB2 PRO 86 - QD1 LEU 90 12.500% * 0.7478% (0.03 1.00 0.02 0.02) = 0.748% Not enough quality. Peak unassigned. Peak 2699 (1.95, 1.94, 25.25 ppm): 1 diagonal assignment: HG3 PRO 31 - HG3 PRO 31 (0.33) kept Peak 2700 (1.95, 1.77, 25.39 ppm): 11 chemical-shift based assignments, quality = 0.494, support = 3.1, residual support = 21.5: O T HG3 PRO 31 - HG2 PRO 31 9.091% * 98.0646% (0.50 10.0 10.00 3.16 21.97) = 98.065% kept T HB3 LYS+ 55 - HG2 PRO 31 9.091% * 0.9485% (0.49 1.0 10.00 0.02 0.02) = 0.948% T HB2 PRO 116 - HG2 PRO 31 9.091% * 0.4104% (0.21 1.0 10.00 0.02 0.02) = 0.410% HG3 PRO 116 - HG2 PRO 31 9.091% * 0.1091% (0.56 1.0 1.00 0.02 0.02) = 0.109% HB VAL 122 - HG2 PRO 31 9.091% * 0.1055% (0.54 1.0 1.00 0.02 0.02) = 0.106% HB3 GLU- 109 - HG2 PRO 31 9.091% * 0.1034% (0.53 1.0 1.00 0.02 0.02) = 0.103% HB2 GLU- 75 - HG2 PRO 31 9.091% * 0.0751% (0.39 1.0 1.00 0.02 0.02) = 0.075% HB VAL 73 - HG2 PRO 31 9.091% * 0.0619% (0.32 1.0 1.00 0.02 0.02) = 0.062% HG3 PRO 104 - HG2 PRO 31 9.091% * 0.0532% (0.27 1.0 1.00 0.02 0.02) = 0.053% HG2 PRO 112 - HG2 PRO 31 9.091% * 0.0490% (0.25 1.0 1.00 0.02 0.02) = 0.049% HB ILE 29 - HG2 PRO 31 9.091% * 0.0191% (0.10 1.0 1.00 0.02 0.49) = 0.019% Peak 2701 (1.78, 1.77, 25.44 ppm): 1 diagonal assignment: HG2 PRO 31 - HG2 PRO 31 (0.53) kept Peak 2702 (1.72, 0.82, 25.52 ppm): 6 chemical-shift based assignments, quality = 0.471, support = 0.367, residual support = 0.345: HB3 GLU- 50 - QD2 LEU 17 16.667% * 60.0063% (0.45 0.50 0.56) = 60.006% kept HB ILE 48 - QD2 LEU 17 16.667% * 26.2541% (0.69 0.14 0.02) = 26.254% kept HB ILE 48 - HG2 LYS+ 117 16.667% * 11.9311% (0.18 0.24 0.02) = 11.931% kept HB ILE 48 - HG3 LYS+ 117 16.667% * 0.7088% (0.13 0.02 0.02) = 0.709% HB3 GLU- 50 - HG2 LYS+ 117 16.667% * 0.6371% (0.12 0.02 0.02) = 0.637% HB3 GLU- 50 - HG3 LYS+ 117 16.667% * 0.4626% (0.09 0.02 0.02) = 0.463% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 2705 (0.73, 3.44, 66.58 ppm): 8 chemical-shift based assignments, quality = 0.329, support = 1.33, residual support = 6.55: QG2 ILE 48 - HA VAL 62 12.500% * 52.1738% (0.43 1.19 10.85) = 52.174% kept HG LEU 74 - HA VAL 62 12.500% * 30.3638% (0.15 2.00 2.56) = 30.364% kept HG3 LYS+ 44 - HA VAL 62 12.500% * 11.5471% (0.14 0.83 1.00) = 11.547% kept QD1 ILE 68 - HA VAL 62 12.500% * 1.7990% (0.89 0.02 0.02) = 1.799% kept QG2 VAL 40 - HA VAL 62 12.500% * 1.6607% (0.82 0.02 0.02) = 1.661% kept HG3 LYS+ 66 - HA VAL 62 12.500% * 1.5027% (0.75 0.02 0.02) = 1.503% kept QG2 ILE 101 - HA VAL 62 12.500% * 0.6752% (0.34 0.02 0.02) = 0.675% HG2 PRO 59 - HA VAL 62 12.500% * 0.2776% (0.14 0.02 0.02) = 0.278% Peak 2706 (0.69, 1.77, 25.28 ppm): 8 chemical-shift based assignments, quality = 0.327, support = 0.778, residual support = 2.25: HG12 ILE 19 - HG2 PRO 31 12.500% * 58.6001% (0.34 1.10 2.74) = 58.600% kept QD1 ILE 19 - HG2 PRO 31 12.500% * 23.2459% (0.34 0.44 2.74) = 23.246% kept QG2 VAL 94 - HG2 PRO 31 12.500% * 8.8490% (0.34 0.17 0.02) = 8.849% kept HG LEU 67 - HG2 PRO 31 12.500% * 7.4014% (0.22 0.21 0.02) = 7.401% kept QG1 VAL 62 - HG2 PRO 31 12.500% * 0.6900% (0.22 0.02 0.02) = 0.690% HG2 PRO 59 - HG2 PRO 31 12.500% * 0.6470% (0.21 0.02 0.02) = 0.647% QG2 ILE 101 - HG2 PRO 31 12.500% * 0.3292% (0.11 0.02 0.02) = 0.329% QG2 ILE 48 - HG2 PRO 31 12.500% * 0.2375% (0.08 0.02 1.25) = 0.237% Peak 2708 (8.96, 1.03, 24.99 ppm): 4 chemical-shift based assignments, quality = 0.229, support = 2.09, residual support = 5.96: HN MET 97 - HG3 LYS+ 20 25.000% * 47.8604% (0.34 1.98 8.82) = 47.860% kept HN PHE 21 - HG3 LYS+ 20 25.000% * 21.4829% (0.10 3.13 4.90) = 21.483% kept HN THR 96 - HG3 LYS+ 20 25.000% * 16.3767% (0.13 1.77 3.17) = 16.377% kept HN ARG+ 22 - HG3 LYS+ 20 25.000% * 14.2801% (0.16 1.29 1.14) = 14.280% kept Peak 2709 (8.83, 1.46, 25.03 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2711 (8.32, 1.46, 24.97 ppm): 6 chemical-shift based assignments, quality = 0.0659, support = 1.01, residual support = 1.09: HN GLU- 109 - HG3 LYS+ 108 16.667% * 45.8341% (0.02 1.95 2.25) = 45.834% kept HN GLY 114 - HG3 LYS+ 108 16.667% * 39.9173% (0.12 0.27 0.15) = 39.917% kept HN GLU- 50 - HG3 LYS+ 108 16.667% * 7.7138% (0.07 0.08 0.02) = 7.714% kept HN ASN 76 - HG3 LYS+ 108 16.667% * 3.0481% (0.12 0.02 0.02) = 3.048% kept HN VAL 99 - HG3 LYS+ 108 16.667% * 2.5460% (0.10 0.02 0.02) = 2.546% kept HN ALA 91 - HG3 LYS+ 108 16.667% * 0.9408% (0.04 0.02 0.02) = 0.941% Not enough quality. Peak unassigned. Peak 2712 (4.79, 0.90, 24.99 ppm): 8 chemical-shift based assignments, quality = 0.121, support = 0.698, residual support = 0.589: HA ASP- 115 - QD1 LEU 90 12.500% * 34.4963% (0.11 0.95 0.48) = 34.496% kept HA LYS+ 113 - QD1 LEU 90 12.500% * 30.3357% (0.14 0.67 0.33) = 30.336% kept HA PRO 116 - QD1 LEU 90 12.500% * 25.4107% (0.13 0.61 1.26) = 25.411% kept HA LYS+ 113 - QD1 LEU 17 12.500% * 3.3744% (0.13 0.08 0.02) = 3.374% kept HA GLU- 107 - QD1 LEU 90 12.500% * 3.1006% (0.04 0.27 0.02) = 3.101% kept HA GLU- 107 - QD1 LEU 17 12.500% * 1.7925% (0.03 0.17 0.02) = 1.792% kept HA PRO 116 - QD1 LEU 17 12.500% * 0.7978% (0.12 0.02 0.02) = 0.798% HA ASP- 115 - QD1 LEU 17 12.500% * 0.6920% (0.11 0.02 0.02) = 0.692% Not enough quality. Peak unassigned. Peak 2713 (4.52, 1.41, 25.08 ppm): 7 chemical-shift based assignments, quality = 0.563, support = 0.106, residual support = 0.0267: HA LYS+ 55 - HG3 LYS+ 108 14.286% * 40.0449% (0.40 0.17 0.02) = 40.045% kept HA LYS+ 78 - HG3 LYS+ 108 14.286% * 39.9491% (0.80 0.08 0.02) = 39.949% kept HA ALA 103 - HG3 LYS+ 108 14.286% * 7.3652% (0.62 0.02 0.02) = 7.365% kept HB THR 46 - HG3 LYS+ 108 14.286% * 4.6910% (0.40 0.02 0.16) = 4.691% kept HA LEU 17 - HG3 LYS+ 108 14.286% * 3.2874% (0.28 0.02 0.02) = 3.287% kept HA THR 79 - HG3 LYS+ 108 14.286% * 2.9746% (0.25 0.02 0.02) = 2.975% kept HA SER 77 - HG3 LYS+ 108 14.286% * 1.6878% (0.14 0.02 0.02) = 1.688% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2714 (4.50, 1.28, 25.06 ppm): 6 chemical-shift based assignments, quality = 0.816, support = 0.485, residual support = 1.72: HA LYS+ 55 - HG2 LYS+ 32 16.667% * 52.2325% (0.87 0.74 3.28) = 52.232% kept HB THR 46 - HG2 LYS+ 32 16.667% * 17.2719% (0.87 0.24 0.02) = 17.272% kept HA SER 77 - HG2 LYS+ 32 16.667% * 16.4865% (0.79 0.25 0.02) = 16.486% kept HA CYS 123 - HG2 LYS+ 32 16.667% * 7.2309% (0.71 0.12 0.02) = 7.231% kept HA ASN 76 - HG2 LYS+ 32 16.667% * 4.6477% (0.54 0.11 0.02) = 4.648% kept HA LYS+ 78 - HG2 LYS+ 32 16.667% * 2.1305% (0.25 0.11 0.02) = 2.131% kept Peak 2715 (4.35, 1.44, 25.03 ppm): 9 chemical-shift based assignments, quality = 0.407, support = 0.337, residual support = 0.152: HA LYS+ 117 - HG3 LYS+ 108 11.111% * 35.6771% (0.48 1.00 0.47 0.39) = 35.677% kept HA1 GLY 26 - HG3 LYS+ 108 11.111% * 35.1461% (0.53 1.00 0.42 0.02) = 35.146% kept T HA ALA 37 - HG3 LYS+ 108 11.111% * 23.7230% (0.16 10.00 0.09 0.02) = 23.723% kept HA2 GLY 26 - HG3 LYS+ 108 11.111% * 1.3503% (0.42 1.00 0.02 0.02) = 1.350% kept HB THR 61 - HG3 LYS+ 108 11.111% * 1.1583% (0.36 1.00 0.02 0.02) = 1.158% kept HA VAL 94 - HG3 LYS+ 108 11.111% * 1.0228% (0.32 1.00 0.02 0.25) = 1.023% kept HA THR 38 - HG3 LYS+ 108 11.111% * 0.8208% (0.26 1.00 0.02 0.02) = 0.821% HA LYS+ 60 - HG3 LYS+ 108 11.111% * 0.6329% (0.20 1.00 0.02 0.02) = 0.633% HA ASN 57 - HG3 LYS+ 108 11.111% * 0.4688% (0.15 1.00 0.02 0.02) = 0.469% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 2716 (4.36, 1.33, 25.04 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2717 (4.30, 0.91, 25.09 ppm): 22 chemical-shift based assignments, quality = 0.323, support = 1.09, residual support = 2.33: HA LEU 90 - QD1 LEU 17 4.545% * 45.6505% (0.35 1.46 2.00) = 45.651% kept HA PRO 104 - QD1 LEU 17 4.545% * 27.7964% (0.37 0.84 0.61) = 27.796% kept HA ILE 29 - QD1 LEU 17 4.545% * 20.6773% (0.27 0.86 6.02) = 20.677% kept HA PRO 112 - QD1 LEU 17 4.545% * 3.7488% (0.16 0.26 0.02) = 3.749% kept HA THR 106 - QD1 LEU 17 4.545% * 0.5347% (0.30 0.02 0.02) = 0.535% HA ALA 91 - QD1 LEU 17 4.545% * 0.2160% (0.12 0.02 0.02) = 0.216% HA SER 85 - QD1 LEU 17 4.545% * 0.1945% (0.11 0.02 0.02) = 0.195% HD3 PRO 59 - QD1 LEU 17 4.545% * 0.1945% (0.11 0.02 0.02) = 0.195% HA PRO 52 - QD1 LEU 17 4.545% * 0.1945% (0.11 0.02 0.02) = 0.195% HA VAL 65 - QD1 LEU 17 4.545% * 0.1558% (0.09 0.02 0.02) = 0.156% HA ARG+ 84 - QD1 LEU 17 4.545% * 0.1385% (0.08 0.02 0.11) = 0.138% HA PRO 104 - HG3 LYS+ 63 4.545% * 0.0895% (0.05 0.02 0.02) = 0.090% HA LEU 90 - HG3 LYS+ 63 4.545% * 0.0849% (0.05 0.02 0.02) = 0.085% HA THR 106 - HG3 LYS+ 63 4.545% * 0.0723% (0.04 0.02 0.02) = 0.072% HA ILE 29 - HG3 LYS+ 63 4.545% * 0.0650% (0.04 0.02 0.02) = 0.065% HA PRO 112 - HG3 LYS+ 63 4.545% * 0.0389% (0.02 0.02 0.02) = 0.039% HA ALA 91 - HG3 LYS+ 63 4.545% * 0.0292% (0.02 0.02 0.02) = 0.029% HD3 PRO 59 - HG3 LYS+ 63 4.545% * 0.0263% (0.01 0.02 0.02) = 0.026% HA SER 85 - HG3 LYS+ 63 4.545% * 0.0263% (0.01 0.02 0.02) = 0.026% HA PRO 52 - HG3 LYS+ 63 4.545% * 0.0263% (0.01 0.02 0.02) = 0.026% HA VAL 65 - HG3 LYS+ 63 4.545% * 0.0211% (0.01 0.02 0.02) = 0.021% HA ARG+ 84 - HG3 LYS+ 63 4.545% * 0.0187% (0.01 0.02 0.02) = 0.019% Peak 2718 (4.27, 1.43, 25.01 ppm): 13 chemical-shift based assignments, quality = 0.29, support = 2.19, residual support = 16.3: O HA LYS+ 108 - HG3 LYS+ 108 7.692% * 92.2354% (0.29 10.0 2.36 17.62) = 92.235% kept HA GLU- 56 - HG3 LYS+ 108 7.692% * 2.3915% (0.53 1.0 0.28 0.02) = 2.392% kept HA2 GLY 114 - HG3 LYS+ 108 7.692% * 1.9959% (0.47 1.0 0.27 0.15) = 1.996% kept HA THR 106 - HG3 LYS+ 108 7.692% * 1.2004% (0.24 1.0 0.31 0.02) = 1.200% kept HA ARG+ 84 - HG3 LYS+ 108 7.692% * 0.9420% (0.61 1.0 0.10 0.02) = 0.942% HA GLU- 75 - HG3 LYS+ 108 7.692% * 0.2017% (0.63 1.0 0.02 0.02) = 0.202% HA VAL 65 - HG3 LYS+ 108 7.692% * 0.1899% (0.59 1.0 0.02 0.10) = 0.190% HD3 PRO 59 - HG3 LYS+ 108 7.692% * 0.1785% (0.56 1.0 0.02 0.02) = 0.178% HA PRO 52 - HG3 LYS+ 108 7.692% * 0.1785% (0.56 1.0 0.02 0.02) = 0.178% HA SER 85 - HG3 LYS+ 108 7.692% * 0.1785% (0.56 1.0 0.02 0.02) = 0.178% HA ALA 91 - HG3 LYS+ 108 7.692% * 0.1718% (0.53 1.0 0.02 0.02) = 0.172% HA PRO 59 - HG3 LYS+ 108 7.692% * 0.0846% (0.26 1.0 0.02 0.02) = 0.085% HA LEU 90 - HG3 LYS+ 108 7.692% * 0.0513% (0.16 1.0 0.02 0.02) = 0.051% Peak 2719 (3.44, 3.44, 66.51 ppm): 1 diagonal assignment: HA VAL 62 - HA VAL 62 (0.96) kept Peak 2720 (3.45, 0.89, 25.09 ppm): 16 chemical-shift based assignments, quality = 0.141, support = 0.0361, residual support = 0.0212: T HA VAL 80 - QD1 LEU 17 6.250% * 25.8552% (0.12 10.00 0.02 0.02) = 25.855% kept HA VAL 62 - QD1 LEU 90 6.250% * 21.8038% (0.21 1.00 0.10 0.02) = 21.804% kept T HA VAL 62 - QD1 LEU 17 6.250% * 18.8165% (0.09 10.00 0.02 0.02) = 18.817% kept HA VAL 80 - QD1 LEU 90 6.250% * 6.2435% (0.29 1.00 0.02 0.02) = 6.243% kept T HA ILE 48 - QD1 LEU 17 6.250% * 5.9510% (0.03 10.00 0.02 0.02) = 5.951% kept HA1 GLY 71 - QD1 LEU 90 6.250% * 4.2982% (0.20 1.00 0.02 0.02) = 4.298% kept HD3 PRO 31 - QD1 LEU 90 6.250% * 4.0479% (0.19 1.00 0.02 0.02) = 4.048% kept HB THR 79 - QD1 LEU 90 6.250% * 2.3485% (0.11 1.00 0.02 0.02) = 2.348% kept HB2 SER 69 - QD1 LEU 90 6.250% * 2.1344% (0.10 1.00 0.02 0.02) = 2.134% kept HA1 GLY 71 - QD1 LEU 17 6.250% * 1.7800% (0.08 1.00 0.02 0.02) = 1.780% kept HD3 PRO 31 - QD1 LEU 17 6.250% * 1.6763% (0.08 1.00 0.02 0.02) = 1.676% kept HA ILE 48 - QD1 LEU 90 6.250% * 1.4370% (0.07 1.00 0.02 0.02) = 1.437% kept HA THR 39 - QD1 LEU 90 6.250% * 1.2383% (0.06 1.00 0.02 0.16) = 1.238% kept HB THR 79 - QD1 LEU 17 6.250% * 0.9725% (0.05 1.00 0.02 0.02) = 0.973% HB2 SER 69 - QD1 LEU 17 6.250% * 0.8839% (0.04 1.00 0.02 0.02) = 0.884% HA THR 39 - QD1 LEU 17 6.250% * 0.5128% (0.02 1.00 0.02 0.02) = 0.513% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2721 (2.96, 1.42, 25.07 ppm): 5 chemical-shift based assignments, quality = 0.304, support = 0.273, residual support = 0.219: HE2 LYS+ 117 - HG3 LYS+ 108 20.000% * 54.3933% (0.19 0.43 0.39) = 54.393% kept HB2 PHE 21 - HG3 LYS+ 108 20.000% * 34.3929% (0.46 0.11 0.02) = 34.393% kept HA1 GLY 58 - HG3 LYS+ 108 20.000% * 6.5788% (0.50 0.02 0.02) = 6.579% kept HE3 LYS+ 113 - HG3 LYS+ 108 20.000% * 2.8633% (0.22 0.02 0.02) = 2.863% kept HB3 ASN 76 - HG3 LYS+ 108 20.000% * 1.7717% (0.13 0.02 0.02) = 1.772% kept Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 2722 (2.92, 1.34, 25.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2723 (2.90, 1.29, 24.93 ppm): 4 chemical-shift based assignments, quality = 0.463, support = 0.522, residual support = 0.73: HA1 GLY 58 - HG2 LYS+ 32 25.000% * 82.1335% (0.45 0.62 0.88) = 82.133% kept HB2 HIS+ 98 - HG2 LYS+ 32 25.000% * 14.6598% (0.56 0.09 0.02) = 14.660% kept HE3 LYS+ 60 - HG2 LYS+ 32 25.000% * 1.7455% (0.30 0.02 0.02) = 1.746% kept HG3 MET 97 - HG2 LYS+ 32 25.000% * 1.4612% (0.25 0.02 0.34) = 1.461% kept Peak 2727 (2.06, 3.43, 66.46 ppm): 13 chemical-shift based assignments, quality = 0.369, support = 2.85, residual support = 30.3: O HB VAL 62 - HA VAL 62 7.692% * 94.8122% (0.37 10.0 2.97 31.97) = 94.812% kept HB2 LEU 43 - HA VAL 62 7.692% * 2.6036% (0.16 1.0 1.29 0.62) = 2.604% kept HB2 GLU- 45 - HA VAL 62 7.692% * 1.6591% (0.63 1.0 0.21 0.34) = 1.659% kept HG3 ARG+ 53 - HA VAL 62 7.692% * 0.2182% (0.86 1.0 0.02 0.02) = 0.218% HB3 GLU- 75 - HA VAL 62 7.692% * 0.1956% (0.77 1.0 0.02 0.02) = 0.196% HB3 LYS+ 120 - HA VAL 62 7.692% * 0.1492% (0.59 1.0 0.02 0.02) = 0.149% HG3 PRO 86 - HA VAL 62 7.692% * 0.0948% (0.37 1.0 0.02 0.02) = 0.095% HD3 LYS+ 110 - HA VAL 62 7.692% * 0.0641% (0.25 1.0 0.02 0.02) = 0.064% HB3 LYS+ 110 - HA VAL 62 7.692% * 0.0513% (0.20 1.0 0.02 0.02) = 0.051% HB2 LYS+ 110 - HA VAL 62 7.692% * 0.0513% (0.20 1.0 0.02 0.02) = 0.051% HB VAL 125 - HA VAL 62 7.692% * 0.0356% (0.14 1.0 0.02 0.02) = 0.036% HA1 GLY 58 - HA VAL 62 7.692% * 0.0338% (0.13 1.0 0.02 0.40) = 0.034% HB3 GLU- 107 - HA VAL 62 7.692% * 0.0312% (0.12 1.0 0.02 0.02) = 0.031% Peak 2739 (1.67, 1.43, 24.98 ppm): 5 chemical-shift based assignments, quality = 0.353, support = 0.0915, residual support = 0.02: HD3 LYS+ 55 - HG3 LYS+ 108 20.000% * 51.4286% (0.41 0.11 0.02) = 51.429% kept HG3 ARG+ 84 - HG3 LYS+ 108 20.000% * 31.3612% (0.26 0.10 0.02) = 31.361% kept HB3 MET 126 - HG3 LYS+ 108 20.000% * 10.8249% (0.47 0.02 0.02) = 10.825% kept HB3 MET 97 - HG3 LYS+ 108 20.000% * 3.5319% (0.15 0.02 0.02) = 3.532% kept HB3 ARG+ 22 - HG3 LYS+ 108 20.000% * 2.8534% (0.12 0.02 0.02) = 2.853% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2763 (1.43, 1.43, 24.98 ppm): 1 diagonal assignment: HG3 LYS+ 108 - HG3 LYS+ 108 (0.52) kept Peak 2776 (1.15, 1.46, 25.00 ppm): 8 chemical-shift based assignments, quality = 0.116, support = 0.0539, residual support = 0.02: HG LEU 74 - HG3 LYS+ 108 12.500% * 55.5819% (0.15 0.08 0.02) = 55.582% kept HG3 PRO 59 - HG3 LYS+ 108 12.500% * 12.0081% (0.13 0.02 0.02) = 12.008% kept QG2 THR 106 - HG3 LYS+ 108 12.500% * 7.2833% (0.08 0.02 0.02) = 7.283% kept HB2 LEU 74 - HG3 LYS+ 108 12.500% * 5.6912% (0.06 0.02 0.02) = 5.691% kept HB3 LYS+ 66 - HG3 LYS+ 108 12.500% * 5.1955% (0.06 0.02 0.02) = 5.196% kept HG3 LYS+ 32 - HG3 LYS+ 108 12.500% * 5.1955% (0.06 0.02 0.02) = 5.196% kept QB ALA 33 - HG3 LYS+ 108 12.500% * 5.1955% (0.06 0.02 0.02) = 5.196% kept HD3 LYS+ 111 - HG3 LYS+ 108 12.500% * 3.8490% (0.04 0.02 0.02) = 3.849% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 2783 (1.04, 1.03, 24.97 ppm): 1 diagonal assignment: HG3 LYS+ 20 - HG3 LYS+ 20 (0.29) kept Peak 2798 (0.87, 0.86, 25.07 ppm): 3 diagonal assignments: QD1 LEU 90 - QD1 LEU 90 (0.94) kept HG3 LYS+ 117 - HG3 LYS+ 117 (0.25) kept HG2 LYS+ 117 - HG2 LYS+ 117 (0.16) kept Peak 2813 (0.42, 3.44, 66.50 ppm): 2 chemical-shift based assignments, quality = 0.428, support = 3.56, residual support = 10.8: T QD1 ILE 48 - HA VAL 62 50.000% * 92.0261% (0.43 10.00 3.72 10.85) = 92.026% kept HG12 ILE 48 - HA VAL 62 50.000% * 7.9739% (0.43 1.00 1.73 10.85) = 7.974% kept 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): 2 chemical-shift based assignments, quality = 0.154, support = 2.67, residual support = 34.7: O HA LYS+ 72 - HG3 LYS+ 72 50.000% * 99.8252% (0.15 10.0 2.67 34.75) = 99.825% kept HA ASP- 25 - HG3 LYS+ 72 50.000% * 0.1748% (0.27 1.0 0.02 0.02) = 0.175% Peak 2827 (4.54, 0.93, 24.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2828 (4.48, 1.13, 24.84 ppm): 11 chemical-shift based assignments, quality = 0.513, support = 3.41, residual support = 36.1: O HA LYS+ 32 - HG3 LYS+ 32 9.091% * 95.6913% (0.52 10.0 3.55 37.70) = 95.691% kept HA ASN 76 - HG3 LYS+ 32 9.091% * 1.8252% (0.57 1.0 0.35 0.02) = 1.825% kept HA SER 77 - HG3 LYS+ 32 9.091% * 1.3352% (0.35 1.0 0.42 0.02) = 1.335% kept HA CYS 123 - HG3 LYS+ 32 9.091% * 0.4986% (0.43 1.0 0.12 0.02) = 0.499% HA ILE 101 - HG3 LYS+ 32 9.091% * 0.3694% (0.38 1.0 0.11 0.02) = 0.369% HA PRO 86 - HG3 LYS+ 32 9.091% * 0.0852% (0.46 1.0 0.02 0.02) = 0.085% HA ILE 100 - HG3 LYS+ 32 9.091% * 0.0746% (0.41 1.0 0.02 0.02) = 0.075% HA GLU- 50 - HG3 LYS+ 32 9.091% * 0.0450% (0.24 1.0 0.02 0.02) = 0.045% HA VAL 99 - HG3 LYS+ 32 9.091% * 0.0293% (0.16 1.0 0.02 0.35) = 0.029% HA LYS+ 55 - HG3 LYS+ 32 9.091% * 0.0231% (0.13 1.0 0.02 3.28) = 0.023% HB THR 46 - HG3 LYS+ 32 9.091% * 0.0231% (0.13 1.0 0.02 0.02) = 0.023% Peak 2829 (3.13, 1.50, 24.80 ppm): 8 chemical-shift based assignments, quality = 0.489, support = 1.46, residual support = 33.7: O T HE3 LYS+ 72 - HG3 LYS+ 72 12.500% * 96.9653% (0.50 10.0 10.00 1.51 34.75) = 96.965% kept T HE3 LYS+ 81 - HG3 LYS+ 72 12.500% * 0.9761% (0.51 1.0 10.00 0.02 0.31) = 0.976% T HE3 LYS+ 108 - HG3 LYS+ 72 12.500% * 0.9589% (0.50 1.0 10.00 0.02 0.02) = 0.959% T HE3 LYS+ 117 - HG3 LYS+ 72 12.500% * 0.9589% (0.50 1.0 10.00 0.02 0.02) = 0.959% HB3 HIS+ 98 - HG3 LYS+ 72 12.500% * 0.0593% (0.31 1.0 1.00 0.02 0.02) = 0.059% HD2 ARG+ 53 - HG3 LYS+ 72 12.500% * 0.0334% (0.17 1.0 1.00 0.02 0.02) = 0.033% HA1 GLY 58 - HG3 LYS+ 72 12.500% * 0.0262% (0.14 1.0 1.00 0.02 0.02) = 0.026% HD3 PRO 35 - HG3 LYS+ 72 12.500% * 0.0218% (0.11 1.0 1.00 0.02 0.02) = 0.022% Peak 2830 (2.81, 1.12, 24.83 ppm): 8 chemical-shift based assignments, quality = 0.636, support = 2.64, residual support = 34.8: O HE3 LYS+ 32 - HG3 LYS+ 32 12.500% * 92.1724% (0.64 10.0 2.75 37.70) = 92.172% kept HA1 GLY 58 - HG3 LYS+ 32 12.500% * 6.2934% (0.58 1.0 1.50 0.88) = 6.293% kept HA2 GLY 58 - HG3 LYS+ 32 12.500% * 1.2830% (0.59 1.0 0.30 0.88) = 1.283% kept HE3 LYS+ 111 - HG3 LYS+ 32 12.500% * 0.0974% (0.68 1.0 0.02 0.02) = 0.097% HB3 ASN 119 - HG3 LYS+ 32 12.500% * 0.0552% (0.38 1.0 0.02 0.02) = 0.055% HB3 ASN 89 - HG3 LYS+ 32 12.500% * 0.0552% (0.38 1.0 0.02 0.02) = 0.055% HB2 ASN 119 - HG3 LYS+ 32 12.500% * 0.0217% (0.15 1.0 0.02 0.02) = 0.022% HB3 ASN 57 - HG3 LYS+ 32 12.500% * 0.0217% (0.15 1.0 0.02 0.02) = 0.022% Peak 2834 (1.57, 1.28, 24.86 ppm): 9 chemical-shift based assignments, quality = 0.342, support = 3.5, residual support = 37.1: O T HB3 LYS+ 32 - HG2 LYS+ 32 11.111% * 75.3105% (0.41 10.0 10.00 3.52 37.70) = 75.310% kept O HD3 LYS+ 32 - HG2 LYS+ 32 11.111% * 23.0387% (0.12 10.0 1.00 3.69 37.70) = 23.039% kept HD3 LYS+ 60 - HG2 LYS+ 32 11.111% * 1.1815% (0.56 1.0 1.00 0.23 0.02) = 1.181% kept HG3 LYS+ 60 - HG2 LYS+ 32 11.111% * 0.1141% (0.62 1.0 1.00 0.02 0.02) = 0.114% HB ILE 19 - HG2 LYS+ 32 11.111% * 0.1124% (0.61 1.0 1.00 0.02 0.02) = 0.112% HG LEU 17 - HG2 LYS+ 32 11.111% * 0.1101% (0.60 1.0 1.00 0.02 0.02) = 0.110% HB3 LEU 90 - HG2 LYS+ 32 11.111% * 0.0567% (0.31 1.0 1.00 0.02 0.17) = 0.057% HG13 ILE 29 - HG2 LYS+ 32 11.111% * 0.0437% (0.24 1.0 1.00 0.02 0.02) = 0.044% QG2 THR 24 - HG2 LYS+ 32 11.111% * 0.0324% (0.18 1.0 1.00 0.02 0.02) = 0.032% Peak 2839 (1.27, 1.13, 24.80 ppm): 5 chemical-shift based assignments, quality = 0.61, support = 4.02, residual support = 33.6: O HG2 LYS+ 32 - HG3 LYS+ 32 20.000% * 89.1588% (0.62 10.0 1.00 4.47 37.70) = 89.159% kept T HG LEU 74 - HG3 LYS+ 32 20.000% * 10.7230% (0.50 1.0 10.00 0.30 0.37) = 10.723% kept HB3 LEU 74 - HG3 LYS+ 32 20.000% * 0.0661% (0.46 1.0 1.00 0.02 0.37) = 0.066% HB2 LYS+ 55 - HG3 LYS+ 32 20.000% * 0.0341% (0.24 1.0 1.00 0.02 3.28) = 0.034% QG2 THR 46 - HG3 LYS+ 32 20.000% * 0.0180% (0.13 1.0 1.00 0.02 0.02) = 0.018% Peak 2840 (1.13, 1.13, 24.80 ppm): 1 diagonal assignment: HG3 LYS+ 32 - HG3 LYS+ 32 (0.63) kept Peak 2843 (8.73, 0.90, 24.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2844 (6.75, 0.90, 24.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2845 (3.45, 0.89, 24.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2846 (2.49, 0.90, 24.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2847 (1.48, 3.43, 65.83 ppm): 10 chemical-shift based assignments, quality = 0.133, support = 2.98, residual support = 6.0: HB3 LEU 67 - HA ILE 48 10.000% * 53.0892% (0.12 3.90 9.52) = 53.089% kept QB ALA 70 - HB2 SER 69 10.000% * 22.6927% (0.23 0.85 0.19) = 22.693% kept HG LEU 74 - HA ILE 48 10.000% * 17.2805% (0.04 4.05 5.19) = 17.281% kept QB ALA 70 - HA ILE 48 10.000% * 3.7586% (0.14 0.23 0.02) = 3.759% kept HB3 LEU 67 - HB2 SER 69 10.000% * 2.6548% (0.20 0.12 0.02) = 2.655% kept HG LEU 74 - HB2 SER 69 10.000% * 0.1411% (0.06 0.02 1.77) = 0.141% HD3 LYS+ 108 - HB2 SER 69 10.000% * 0.1402% (0.06 0.02 0.02) = 0.140% HB2 LYS+ 72 - HB2 SER 69 10.000% * 0.0985% (0.04 0.02 0.79) = 0.098% HD3 LYS+ 108 - HA ILE 48 10.000% * 0.0848% (0.04 0.02 0.02) = 0.085% HB2 LYS+ 72 - HA ILE 48 10.000% * 0.0595% (0.03 0.02 0.02) = 0.060% Peak 2848 (1.42, 0.87, 24.40 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2851 (0.72, 3.43, 65.93 ppm): 8 chemical-shift based assignments, quality = 0.139, support = 6.11, residual support = 104.8: O QG2 ILE 48 - HA ILE 48 12.500% * 91.7182% (0.15 10.0 6.48 113.80) = 91.718% kept HG LEU 74 - HA ILE 48 12.500% * 3.3030% (0.03 1.0 4.05 5.19) = 3.303% kept QD1 ILE 68 - HA ILE 48 12.500% * 2.5702% (0.13 1.0 0.61 0.02) = 2.570% kept HG LEU 67 - HA ILE 48 12.500% * 2.1309% (0.07 1.0 0.98 9.52) = 2.131% kept QG2 VAL 40 - HA ILE 48 12.500% * 0.1020% (0.16 1.0 0.02 0.02) = 0.102% QG2 ILE 101 - HA ILE 48 12.500% * 0.0808% (0.13 1.0 0.02 0.02) = 0.081% HG2 PRO 59 - HA ILE 48 12.500% * 0.0474% (0.08 1.0 0.02 0.02) = 0.047% HG3 LYS+ 66 - HA ILE 48 12.500% * 0.0474% (0.08 1.0 0.02 0.02) = 0.047% Peak 2852 (9.38, 4.09, 65.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2853 (4.98, 3.54, 65.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2854 (4.44, 4.09, 65.50 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2855 (4.25, 4.10, 65.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2856 (4.09, 4.09, 65.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2859 (3.55, 3.54, 65.47 ppm): 2 chemical-shift based assignments, quality = 0.0784, support = 0.777, residual support = 1.75: HA ILE 48 - HB3 SER 69 50.000% * 87.1697% (0.09 0.81 1.99) = 87.170% kept HD2 PRO 31 - HB3 SER 69 50.000% * 12.8303% (0.02 0.52 0.12) = 12.830% kept Not enough quality. Peak unassigned. Peak 2860 (1.55, 4.09, 65.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2865 (9.32, 0.29, 23.82 ppm): 1 chemical-shift based assignment, quality = 0.286, support = 2.71, residual support = 11.5: HN ILE 29 - QD2 LEU 23 100.000% *100.0000% (0.29 2.71 11.48) = 100.000% kept Peak 2866 (4.79, 0.29, 23.83 ppm): 5 chemical-shift based assignments, quality = 0.628, support = 2.82, residual support = 3.92: HA ASP- 115 - QD2 LEU 23 20.000% * 39.0792% (0.51 3.80 7.02) = 39.079% kept HA PRO 116 - QD2 LEU 23 20.000% * 37.1666% (0.66 2.82 2.57) = 37.167% kept HA LYS+ 113 - QD2 LEU 23 20.000% * 21.8567% (0.83 1.30 1.01) = 21.857% kept HA MET 97 - QD2 LEU 23 20.000% * 1.1572% (0.14 0.41 0.10) = 1.157% kept HA GLU- 107 - QD2 LEU 23 20.000% * 0.7403% (0.41 0.09 0.02) = 0.740% Peak 2867 (4.78, 0.84, 23.68 ppm): 4 chemical-shift based assignments, quality = 0.383, support = 0.859, residual support = 0.804: HA PRO 116 - QD2 LEU 90 25.000% * 49.0171% (0.40 1.01 1.26) = 49.017% kept HA LYS+ 113 - QD2 LEU 90 25.000% * 38.5369% (0.37 0.86 0.33) = 38.537% kept HA ASP- 115 - QD2 LEU 90 25.000% * 12.2963% (0.38 0.26 0.48) = 12.296% kept HA VAL 40 - QD2 LEU 90 25.000% * 0.1497% (0.06 0.02 0.02) = 0.150% 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): 13 chemical-shift based assignments, quality = 0.754, support = 3.14, residual support = 26.5: O T HB2 LEU 23 - QD2 LEU 23 7.692% * 55.1690% (0.86 10.0 10.00 4.16 39.41) = 55.169% kept T HB ILE 29 - QD2 LEU 23 7.692% * 40.6006% (0.64 1.0 10.00 1.98 11.48) = 40.601% kept HB2 PRO 116 - QD2 LEU 23 7.692% * 2.1732% (0.38 1.0 1.00 1.77 2.57) = 2.173% kept HB3 GLN 102 - QD2 LEU 23 7.692% * 1.5378% (0.86 1.0 1.00 0.56 0.73) = 1.538% kept HD3 LYS+ 63 - QD2 LEU 23 7.692% * 0.2329% (0.93 1.0 1.00 0.08 0.02) = 0.233% HB3 GLU- 56 - QD2 LEU 23 7.692% * 0.0565% (0.88 1.0 1.00 0.02 0.02) = 0.057% HB3 GLU- 54 - QD2 LEU 23 7.692% * 0.0536% (0.83 1.0 1.00 0.02 0.02) = 0.054% HB3 PRO 35 - QD2 LEU 23 7.692% * 0.0499% (0.78 1.0 1.00 0.02 0.02) = 0.050% HB3 MET 118 - QD2 LEU 23 7.692% * 0.0457% (0.71 1.0 1.00 0.02 0.02) = 0.046% HB3 CYS 123 - QD2 LEU 23 7.692% * 0.0314% (0.49 1.0 1.00 0.02 0.02) = 0.031% HG2 PRO 112 - QD2 LEU 23 7.692% * 0.0204% (0.32 1.0 1.00 0.02 0.02) = 0.020% HG2 GLU- 18 - QD2 LEU 23 7.692% * 0.0184% (0.29 1.0 1.00 0.02 0.02) = 0.018% HB2 GLU- 75 - QD2 LEU 23 7.692% * 0.0105% (0.16 1.0 1.00 0.02 0.02) = 0.010% Peak 2874 (1.63, 0.29, 23.82 ppm): 10 chemical-shift based assignments, quality = 0.741, support = 2.58, residual support = 25.3: O HG LEU 23 - QD2 LEU 23 10.000% * 63.0098% (0.84 10.0 1.00 3.54 39.41) = 63.010% kept T HG12 ILE 101 - QD2 LEU 23 10.000% * 15.5359% (0.78 1.0 10.00 0.53 0.56) = 15.536% kept T HG3 ARG+ 84 - QD2 LEU 23 10.000% * 13.2580% (0.32 1.0 10.00 1.11 1.01) = 13.258% kept HB3 ARG+ 22 - QD2 LEU 23 10.000% * 4.7660% (0.60 1.0 1.00 2.10 4.42) = 4.766% kept HB ILE 100 - QD2 LEU 23 10.000% * 1.9340% (0.78 1.0 1.00 0.66 0.39) = 1.934% kept HB3 MET 97 - QD2 LEU 23 10.000% * 1.3712% (0.53 1.0 1.00 0.69 0.10) = 1.371% kept HB2 LEU 67 - QD2 LEU 23 10.000% * 0.0587% (0.78 1.0 1.00 0.02 0.02) = 0.059% HG3 LYS+ 78 - QD2 LEU 23 10.000% * 0.0370% (0.49 1.0 1.00 0.02 0.02) = 0.037% HG2 LYS+ 110 - QD2 LEU 23 10.000% * 0.0156% (0.21 1.0 1.00 0.02 0.02) = 0.016% HG3 LYS+ 110 - QD2 LEU 23 10.000% * 0.0139% (0.18 1.0 1.00 0.02 0.02) = 0.014% Peak 2896 (0.82, 0.81, 23.64 ppm): 1 diagonal assignment: QD2 LEU 90 - QD2 LEU 90 (0.76) 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2940 (7.87, 4.01, 64.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2941 (4.30, 0.85, 23.55 ppm): 18 chemical-shift based assignments, quality = 0.183, support = 1.41, residual support = 6.52: HA LEU 90 - QD2 LEU 90 5.556% * 76.4426% (0.21 1.74 7.78) = 76.443% kept HA PRO 112 - QD2 LEU 90 5.556% * 13.3298% (0.15 0.41 0.02) = 13.330% kept HA ALA 91 - QD2 LEU 90 5.556% * 5.5580% (0.05 0.49 10.26) = 5.558% kept HA PRO 104 - QD2 LEU 90 5.556% * 1.1480% (0.27 0.02 0.02) = 1.148% kept HA ILE 29 - QD2 LEU 90 5.556% * 0.9610% (0.22 0.02 0.02) = 0.961% HA THR 106 - QD2 LEU 90 5.556% * 0.6978% (0.16 0.02 0.02) = 0.698% HA PRO 104 - QG1 VAL 122 5.556% * 0.2794% (0.07 0.02 0.42) = 0.279% HA ILE 29 - QG1 VAL 122 5.556% * 0.2339% (0.05 0.02 0.02) = 0.234% HA LEU 90 - QG1 VAL 122 5.556% * 0.2140% (0.05 0.02 0.02) = 0.214% HD3 PRO 59 - QD2 LEU 90 5.556% * 0.2015% (0.05 0.02 0.02) = 0.201% HA PRO 52 - QD2 LEU 90 5.556% * 0.2015% (0.05 0.02 0.02) = 0.201% HA SER 85 - QD2 LEU 90 5.556% * 0.2015% (0.05 0.02 0.02) = 0.201% HA THR 106 - QG1 VAL 122 5.556% * 0.1699% (0.04 0.02 0.02) = 0.170% HA PRO 112 - QG1 VAL 122 5.556% * 0.1585% (0.04 0.02 0.02) = 0.159% HA ALA 91 - QG1 VAL 122 5.556% * 0.0554% (0.01 0.02 0.02) = 0.055% HA SER 85 - QG1 VAL 122 5.556% * 0.0490% (0.01 0.02 0.02) = 0.049% HD3 PRO 59 - QG1 VAL 122 5.556% * 0.0490% (0.01 0.02 0.02) = 0.049% HA PRO 52 - QG1 VAL 122 5.556% * 0.0490% (0.01 0.02 0.02) = 0.049% Peak 2942 (4.02, 4.01, 64.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2963 (9.37, 1.54, 23.11 ppm): 1 chemical-shift based assignment, quality = 0.775, support = 3.1, residual support = 8.27: HN THR 24 - QG2 THR 24 100.000% *100.0000% (0.78 3.10 8.27) = 100.000% kept Peak 2964 (9.26, 1.00, 23.14 ppm): 2 chemical-shift based assignments, quality = 0.42, support = 2.61, residual support = 5.32: HN ILE 100 - QG1 VAL 99 50.000% * 84.7730% (0.45 2.91 4.96) = 84.773% kept HN LEU 23 - QG1 VAL 99 50.000% * 15.2270% (0.24 0.99 7.36) = 15.227% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2968 (8.31, 0.95, 23.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2969 (8.30, 3.84, 64.57 ppm): 12 chemical-shift based assignments, quality = 0.0588, support = 0.927, residual support = 0.761: HN ASN 89 - HB3 SER 88 8.333% * 47.3856% (0.02 1.82 1.59) = 47.386% kept HN ASP- 28 - HB3 SER 88 8.333% * 15.8025% (0.06 0.25 0.02) = 15.803% kept HN VAL 99 - HB2 SER 85 8.333% * 12.9277% (0.13 0.10 0.02) = 12.928% kept HN ASP- 28 - HB2 SER 85 8.333% * 8.2321% (0.10 0.08 0.02) = 8.232% kept HN GLY 114 - HB2 SER 85 8.333% * 4.7272% (0.05 0.09 0.02) = 4.727% kept HN ALA 91 - HB2 SER 85 8.333% * 3.4538% (0.17 0.02 0.02) = 3.454% kept HN ALA 91 - HB3 SER 88 8.333% * 2.0461% (0.10 0.02 0.02) = 2.046% kept HN VAL 99 - HB3 SER 88 8.333% * 1.5953% (0.08 0.02 0.02) = 1.595% kept HN ASN 76 - HB2 SER 85 8.333% * 1.4486% (0.07 0.02 0.02) = 1.449% kept HN ASN 89 - HB2 SER 85 8.333% * 0.8786% (0.04 0.02 0.02) = 0.879% HN ASN 76 - HB3 SER 88 8.333% * 0.8582% (0.04 0.02 0.02) = 0.858% HN GLY 114 - HB3 SER 88 8.333% * 0.6443% (0.03 0.02 0.02) = 0.644% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2972 (4.80, 1.54, 23.11 ppm): 5 chemical-shift based assignments, quality = 0.315, support = 1.67, residual support = 0.903: HA PRO 116 - QG2 THR 24 20.000% * 44.0071% (0.28 2.18 1.13) = 44.007% kept HA LYS+ 113 - QG2 THR 24 20.000% * 30.1997% (0.47 0.88 0.70) = 30.200% kept HA ASP- 115 - QG2 THR 24 20.000% * 24.0233% (0.18 1.86 0.81) = 24.023% kept HA GLU- 107 - QG2 THR 24 20.000% * 1.1337% (0.78 0.02 0.02) = 1.134% kept HA MET 97 - QG2 THR 24 20.000% * 0.6362% (0.43 0.02 0.02) = 0.636% Peak 2973 (4.72, 1.01, 23.11 ppm): 4 chemical-shift based assignments, quality = 0.891, support = 0.967, residual support = 0.582: HA PRO 31 - QG1 VAL 99 25.000% * 83.7904% (0.94 1.11 0.66) = 83.790% kept HA2 GLY 30 - QG1 VAL 99 25.000% * 12.5998% (0.76 0.21 0.23) = 12.600% kept HA VAL 40 - QG1 VAL 99 25.000% * 3.2716% (0.17 0.25 0.02) = 3.272% kept HA MET 118 - QG1 VAL 99 25.000% * 0.3382% (0.21 0.02 0.02) = 0.338% Peak 2974 (4.72, 0.95, 23.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2975 (4.44, 1.54, 23.11 ppm): 10 chemical-shift based assignments, quality = 0.771, support = 1.22, residual support = 8.2: O HB THR 24 - QG2 THR 24 10.000% * 99.1539% (0.78 10.0 1.23 8.27) = 99.154% kept HA LYS+ 111 - QG2 THR 24 10.000% * 0.1548% (0.75 1.0 0.02 0.02) = 0.155% HA VAL 99 - QG2 THR 24 10.000% * 0.1548% (0.75 1.0 0.02 0.02) = 0.155% HA GLU- 50 - QG2 THR 24 10.000% * 0.1251% (0.60 1.0 0.02 0.41) = 0.125% HA ILE 101 - QG2 THR 24 10.000% * 0.0867% (0.42 1.0 0.02 0.02) = 0.087% HA ILE 100 - QG2 THR 24 10.000% * 0.0795% (0.38 1.0 0.02 0.02) = 0.079% HA CYS 121 - QG2 THR 24 10.000% * 0.0659% (0.32 1.0 0.02 0.02) = 0.066% HA PRO 86 - QG2 THR 24 10.000% * 0.0659% (0.32 1.0 0.02 0.02) = 0.066% HA LYS+ 66 - QG2 THR 24 10.000% * 0.0597% (0.29 1.0 0.02 0.02) = 0.060% HA LYS+ 32 - QG2 THR 24 10.000% * 0.0538% (0.26 1.0 0.02 0.02) = 0.054% Peak 2976 (4.38, 3.85, 64.58 ppm): 20 chemical-shift based assignments, quality = 0.079, support = 1.35, residual support = 12.1: O T HA SER 88 - HB3 SER 88 5.000% * 93.0149% (0.08 10.0 10.00 1.45 13.00) = 93.015% kept T HA SER 88 - HB2 SER 85 5.000% * 2.0506% (0.18 1.0 10.00 0.02 0.02) = 2.051% kept HA2 GLY 26 - HB3 SER 88 5.000% * 1.1927% (0.09 1.0 1.00 0.24 0.02) = 1.193% kept HA1 GLY 26 - HB3 SER 88 5.000% * 0.5691% (0.04 1.0 1.00 0.24 0.02) = 0.569% HA ASN 57 - HB2 SER 85 5.000% * 0.3381% (0.29 1.0 1.00 0.02 0.02) = 0.338% HA ALA 37 - HB2 SER 85 5.000% * 0.3373% (0.29 1.0 1.00 0.02 0.02) = 0.337% HA LYS+ 60 - HB2 SER 85 5.000% * 0.3314% (0.28 1.0 1.00 0.02 0.02) = 0.331% HA THR 38 - HB2 SER 85 5.000% * 0.3121% (0.27 1.0 1.00 0.02 0.02) = 0.312% HA TRP 51 - HB2 SER 85 5.000% * 0.3121% (0.27 1.0 1.00 0.02 0.02) = 0.312% HA2 GLY 26 - HB2 SER 85 5.000% * 0.2187% (0.19 1.0 1.00 0.02 0.02) = 0.219% HA LYS+ 117 - HB2 SER 85 5.000% * 0.1779% (0.15 1.0 1.00 0.02 0.02) = 0.178% HA ASN 57 - HB3 SER 88 5.000% * 0.1534% (0.13 1.0 1.00 0.02 0.02) = 0.153% HA ALA 37 - HB3 SER 88 5.000% * 0.1530% (0.13 1.0 1.00 0.02 0.02) = 0.153% HA THR 95 - HB2 SER 85 5.000% * 0.1516% (0.13 1.0 1.00 0.02 0.02) = 0.152% HA LYS+ 60 - HB3 SER 88 5.000% * 0.1503% (0.13 1.0 1.00 0.02 0.02) = 0.150% HA THR 38 - HB3 SER 88 5.000% * 0.1416% (0.12 1.0 1.00 0.02 0.02) = 0.142% HA TRP 51 - HB3 SER 88 5.000% * 0.1416% (0.12 1.0 1.00 0.02 0.02) = 0.142% HA1 GLY 26 - HB2 SER 85 5.000% * 0.1044% (0.09 1.0 1.00 0.02 0.02) = 0.104% HA LYS+ 117 - HB3 SER 88 5.000% * 0.0807% (0.07 1.0 1.00 0.02 0.02) = 0.081% HA THR 95 - HB3 SER 88 5.000% * 0.0688% (0.06 1.0 1.00 0.02 0.02) = 0.069% Peak 2977 (4.37, 3.72, 64.56 ppm): 10 chemical-shift based assignments, quality = 0.056, support = 1.77, residual support = 5.16: HA2 GLY 26 - HB3 SER 27 10.000% * 60.8997% (0.07 1.87 5.43) = 60.900% kept HA1 GLY 26 - HB3 SER 27 10.000% * 34.0723% (0.04 1.87 5.43) = 34.072% kept HA LYS+ 60 - HB3 SER 27 10.000% * 0.8119% (0.09 0.02 0.02) = 0.812% HA THR 38 - HB3 SER 27 10.000% * 0.8066% (0.09 0.02 0.02) = 0.807% HA ALA 37 - HB3 SER 27 10.000% * 0.7976% (0.09 0.02 0.02) = 0.798% HA ASN 57 - HB3 SER 27 10.000% * 0.7853% (0.08 0.02 0.02) = 0.785% HA TRP 51 - HB3 SER 27 10.000% * 0.6516% (0.07 0.02 0.02) = 0.652% HA LYS+ 117 - HB3 SER 27 10.000% * 0.5590% (0.06 0.02 0.02) = 0.559% HA SER 88 - HB3 SER 27 10.000% * 0.3648% (0.04 0.02 0.02) = 0.365% HA THR 95 - HB3 SER 27 10.000% * 0.2512% (0.03 0.02 0.02) = 0.251% Peak 2978 (4.29, 0.94, 23.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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): 1 diagonal assignment: HB3 SER 85 - HB3 SER 85 (0.04) kept Peak 2981 (4.09, 1.54, 23.11 ppm): 7 chemical-shift based assignments, quality = 0.709, support = 0.448, residual support = 0.197: HA ALA 70 - QG2 THR 24 14.286% * 32.2768% (0.94 0.45 0.27) = 32.277% kept HA LYS+ 44 - QG2 THR 24 14.286% * 28.6902% (0.66 0.57 0.29) = 28.690% kept HA VAL 105 - QG2 THR 24 14.286% * 18.3448% (0.76 0.32 0.02) = 18.345% kept HA LYS+ 63 - QG2 THR 24 14.286% * 15.2768% (0.42 0.47 0.14) = 15.277% kept HB THR 106 - QG2 THR 24 14.286% * 4.3329% (0.29 0.19 0.02) = 4.333% kept HA THR 46 - QG2 THR 24 14.286% * 0.7578% (0.50 0.02 0.02) = 0.758% HA ARG+ 53 - QG2 THR 24 14.286% * 0.3207% (0.21 0.02 0.02) = 0.321% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 2982 (4.02, 3.86, 64.56 ppm): 10 chemical-shift based assignments, quality = 0.137, support = 0.649, residual support = 4.13: O HB3 SER 85 - HB2 SER 85 10.000% * 56.4540% (0.08 10.0 1.00 1.00 7.23) = 56.454% kept T HA LYS+ 44 - HB3 SER 88 10.000% * 29.8874% (0.16 1.0 10.00 0.27 0.14) = 29.887% kept T HA LYS+ 44 - HB2 SER 85 10.000% * 5.5311% (0.41 1.0 10.00 0.02 0.02) = 5.531% kept T HB3 SER 77 - HB2 SER 85 10.000% * 4.4792% (0.34 1.0 10.00 0.02 0.02) = 4.479% kept T HB3 SER 77 - HB3 SER 88 10.000% * 1.7700% (0.13 1.0 10.00 0.02 0.02) = 1.770% kept HB THR 38 - HB3 SER 88 10.000% * 0.9176% (0.17 1.0 1.00 0.08 0.02) = 0.918% HB THR 38 - HB2 SER 85 10.000% * 0.5592% (0.42 1.0 1.00 0.02 0.02) = 0.559% HB THR 39 - HB2 SER 85 10.000% * 0.2558% (0.19 1.0 1.00 0.02 0.02) = 0.256% HB THR 39 - HB3 SER 88 10.000% * 0.1011% (0.08 1.0 1.00 0.02 0.02) = 0.101% HB3 SER 85 - HB3 SER 88 10.000% * 0.0446% (0.03 1.0 1.00 0.02 0.02) = 0.045% Peak 2983 (3.73, 3.72, 64.54 ppm): 1 diagonal assignment: HB3 SER 27 - HB3 SER 27 (0.02) kept 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2986 (2.96, 0.95, 23.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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): 10 chemical-shift based assignments, quality = 0.857, support = 1.57, residual support = 10.8: O HB VAL 99 - QG1 VAL 99 10.000% * 98.4237% (0.87 10.0 1.59 10.93) = 98.424% kept HG2 GLN 102 - QG1 VAL 99 10.000% * 0.9689% (0.82 1.0 0.17 0.02) = 0.969% HB3 PRO 104 - QG1 VAL 99 10.000% * 0.1329% (0.93 1.0 0.02 0.02) = 0.133% HB2 ASP- 82 - QG1 VAL 99 10.000% * 0.1202% (0.85 1.0 0.02 0.02) = 0.120% HG2 MET 126 - QG1 VAL 99 10.000% * 0.0974% (0.68 1.0 0.02 0.02) = 0.097% HB2 LYS+ 113 - QG1 VAL 99 10.000% * 0.0705% (0.50 1.0 0.02 0.02) = 0.071% HG2 PRO 104 - QG1 VAL 99 10.000% * 0.0551% (0.39 1.0 0.02 0.02) = 0.055% HG3 GLU- 54 - QG1 VAL 99 10.000% * 0.0503% (0.35 1.0 0.02 0.02) = 0.050% HB3 GLU- 75 - QG1 VAL 99 10.000% * 0.0405% (0.28 1.0 0.02 0.02) = 0.040% HA1 GLY 58 - QG1 VAL 99 10.000% * 0.0404% (0.28 1.0 0.02 0.02) = 0.040% Peak 2989 (2.19, 0.95, 23.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2997 (1.59, 1.02, 23.13 ppm): 10 chemical-shift based assignments, quality = 0.667, support = 0.51, residual support = 0.262: HB3 LYS+ 32 - QG1 VAL 99 10.000% * 26.5764% (0.87 0.64 0.35) = 26.576% kept HD3 LYS+ 32 - QG1 VAL 99 10.000% * 18.9935% (0.85 0.47 0.35) = 18.993% kept HB3 LEU 17 - QG1 VAL 99 10.000% * 16.7014% (0.76 0.46 0.33) = 16.701% kept HG LEU 17 - QG1 VAL 99 10.000% * 9.7991% (0.24 0.87 0.33) = 9.799% kept HG3 LYS+ 110 - QG1 VAL 99 10.000% * 7.8950% (0.61 0.27 0.02) = 7.895% kept HG2 LYS+ 110 - QG1 VAL 99 10.000% * 7.5445% (0.57 0.28 0.02) = 7.545% kept HB ILE 19 - QG1 VAL 99 10.000% * 6.3293% (0.26 0.50 0.16) = 6.329% kept HG3 LYS+ 60 - QG1 VAL 99 10.000% * 3.4857% (0.29 0.25 0.02) = 3.486% kept HD3 LYS+ 60 - QG1 VAL 99 10.000% * 2.4237% (0.19 0.27 0.02) = 2.424% kept HG3 LYS+ 78 - QG1 VAL 99 10.000% * 0.2514% (0.26 0.02 0.02) = 0.251% 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): 10 chemical-shift based assignments, quality = 0.58, support = 0.561, residual support = 0.252: HB3 LYS+ 32 - QG1 VAL 99 10.000% * 25.5657% (0.86 0.64 0.35) = 25.566% kept HG LEU 17 - QG1 VAL 99 10.000% * 21.9325% (0.54 0.87 0.33) = 21.932% kept HB ILE 19 - QG1 VAL 99 10.000% * 13.5504% (0.57 0.50 0.16) = 13.550% kept HD3 LYS+ 32 - QG1 VAL 99 10.000% * 10.2528% (0.47 0.47 0.35) = 10.253% kept HB3 LEU 17 - QG1 VAL 99 10.000% * 7.8901% (0.36 0.46 0.33) = 7.890% kept HG3 LYS+ 60 - QG1 VAL 99 10.000% * 7.1382% (0.61 0.25 0.02) = 7.138% kept HD3 LYS+ 60 - QG1 VAL 99 10.000% * 5.9290% (0.47 0.27 0.02) = 5.929% kept HG3 LYS+ 110 - QG1 VAL 99 10.000% * 3.1223% (0.25 0.27 0.02) = 3.122% kept HG2 LYS+ 110 - QG1 VAL 99 10.000% * 2.8540% (0.22 0.28 0.02) = 2.854% kept HB3 LEU 90 - QG1 VAL 99 10.000% * 1.7650% (0.16 0.24 0.10) = 1.765% kept 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 (0.67) kept Peak 3016 (0.95, 0.95, 23.15 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3020 (0.74, 1.01, 23.14 ppm): 7 chemical-shift based assignments, quality = 0.667, support = 0.615, residual support = 0.862: QD1 ILE 68 - QG1 VAL 99 14.286% * 38.7184% (0.87 0.53 1.30) = 38.718% kept HG3 LYS+ 66 - QG1 VAL 99 14.286% * 21.6914% (0.96 0.27 0.02) = 21.691% kept HG LEU 74 - QG1 VAL 99 14.286% * 21.0821% (0.17 1.44 1.67) = 21.082% kept QG2 VAL 40 - QG1 VAL 99 14.286% * 11.3928% (0.66 0.20 0.02) = 11.393% kept QG2 ILE 101 - QG1 VAL 99 14.286% * 6.1507% (0.17 0.43 0.02) = 6.151% kept HG3 LYS+ 44 - QG1 VAL 99 14.286% * 0.5573% (0.33 0.02 0.02) = 0.557% QG2 ILE 48 - QG1 VAL 99 14.286% * 0.4074% (0.24 0.02 0.02) = 0.407% 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 (0.72) kept Peak 3024 (0.58, 1.01, 23.13 ppm): 2 chemical-shift based assignments, quality = 0.597, support = 1.04, residual support = 3.91: QD1 LEU 23 - QG1 VAL 99 50.000% * 52.9575% (0.74 1.00 1.74 7.36) = 52.957% kept T QD1 ILE 101 - QG1 VAL 99 50.000% * 47.0425% (0.43 10.00 0.26 0.02) = 47.043% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3069 (4.73, 5.37, 60.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3070 (4.49, 5.37, 60.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3073 (8.58, 5.35, 59.83 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 4 chemical-shift based assignments, quality = 0.311, support = 1.8, residual support = 13.4: O HN ARG+ 22 - HA PHE 21 25.000% * 50.0010% (0.35 10.0 1.61 6.24) = 50.001% kept O HN PHE 21 - HA PHE 21 25.000% * 45.8976% (0.26 10.0 2.09 22.28) = 45.898% kept HN THR 96 - HA PHE 21 25.000% * 2.4844% (0.32 1.0 0.89 0.02) = 2.484% kept HN MET 97 - HA PHE 21 25.000% * 1.6169% (0.44 1.0 0.42 0.42) = 1.617% kept Peak 3111 (5.28, 5.27, 56.01 ppm): 1 diagonal assignment: HA PHE 21 - HA PHE 21 (0.19) kept Peak 3121 (0.93, 5.27, 55.83 ppm): 11 chemical-shift based assignments, quality = 0.119, support = 0.997, residual support = 7.06: HG LEU 74 - HA PHE 21 9.091% * 38.4826% (0.10 1.81 2.42) = 38.483% kept HG12 ILE 29 - HA PHE 21 9.091% * 17.4846% (0.13 0.65 18.47) = 17.485% kept QG2 ILE 29 - HA PHE 21 9.091% * 14.3462% (0.11 0.61 18.47) = 14.346% kept QD1 LEU 17 - HA PHE 21 9.091% * 14.1062% (0.16 0.44 0.33) = 14.106% kept HG12 ILE 68 - HA PHE 21 9.091% * 8.6029% (0.11 0.37 2.35) = 8.603% kept QG2 VAL 62 - HA PHE 21 9.091% * 3.3806% (0.13 0.13 0.02) = 3.381% kept QG1 VAL 105 - HA PHE 21 9.091% * 2.4427% (0.16 0.08 0.02) = 2.443% kept QG2 VAL 73 - HA PHE 21 9.091% * 0.4187% (0.10 0.02 0.02) = 0.419% HG3 LYS+ 63 - HA PHE 21 9.091% * 0.3926% (0.09 0.02 0.02) = 0.393% QG2 VAL 99 - HA PHE 21 9.091% * 0.2429% (0.06 0.02 0.02) = 0.243% HG13 ILE 68 - HA PHE 21 9.091% * 0.0999% (0.02 0.02 2.35) = 0.100% 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 = 0.64, support = 4.23, residual support = 22.9: O HN ILE 29 - HA ASP- 28 50.000% * 97.4087% (0.65 10.0 4.31 23.43) = 97.409% kept HN LEU 23 - HA ASP- 28 50.000% * 2.5913% (0.29 1.0 1.19 1.79) = 2.591% kept Peak 3148 (5.98, 5.98, 53.57 ppm): 1 diagonal assignment: HA ASP- 28 - HA ASP- 28 (0.84) 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): 3 chemical-shift based assignments, quality = 0.69, support = 3.44, residual support = 31.9: O T HB3 ASP- 28 - HA ASP- 28 33.333% * 94.9120% (0.70 10.0 10.00 3.58 33.57) = 94.912% kept HA1 GLY 58 - HA ASP- 28 33.333% * 3.7680% (0.51 1.0 1.00 1.08 0.02) = 3.768% kept HB2 LYS+ 78 - HA ASP- 28 33.333% * 1.3200% (0.75 1.0 1.00 0.26 0.02) = 1.320% kept Peak 3166 (2.14, 5.98, 53.56 ppm): 9 chemical-shift based assignments, quality = 0.915, support = 2.96, residual support = 33.0: O T HB2 ASP- 28 - HA ASP- 28 11.111% * 98.3403% (0.93 10.0 10.00 3.00 33.57) = 98.340% kept HA1 GLY 58 - HA ASP- 28 11.111% * 1.2506% (0.22 1.0 1.00 1.08 0.02) = 1.251% kept HB VAL 47 - HA ASP- 28 11.111% * 0.0983% (0.93 1.0 1.00 0.02 0.02) = 0.098% HG3 GLN 102 - HA ASP- 28 11.111% * 0.0973% (0.92 1.0 1.00 0.02 0.02) = 0.097% HB3 LYS+ 78 - HA ASP- 28 11.111% * 0.0794% (0.75 1.0 1.00 0.02 0.02) = 0.079% HB3 GLU- 75 - HA ASP- 28 11.111% * 0.0750% (0.71 1.0 1.00 0.02 0.02) = 0.075% HG2 PRO 104 - HA ASP- 28 11.111% * 0.0221% (0.21 1.0 1.00 0.02 0.02) = 0.022% HG3 GLU- 56 - HA ASP- 28 11.111% * 0.0196% (0.19 1.0 1.00 0.02 0.02) = 0.020% HB3 LEU 43 - HA ASP- 28 11.111% * 0.0174% (0.16 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 = 0.381, support = 3.65, residual support = 19.6: O HN ILE 68 - HA LEU 67 33.333% * 99.2901% (0.38 10.0 3.67 19.74) = 99.290% kept HN ASP- 36 - HA LEU 67 33.333% * 0.6709% (0.68 1.0 0.08 0.02) = 0.671% HN GLN 102 - HA LEU 67 33.333% * 0.0390% (0.15 1.0 0.02 0.02) = 0.039% Peak 3168 (5.57, 5.57, 52.76 ppm): 1 diagonal assignment: HA LEU 67 - HA LEU 67 (0.28) kept Peak 3173 (1.21, 5.56, 52.82 ppm): 2 chemical-shift based assignments, quality = 0.641, support = 3.63, residual support = 23.2: HG LEU 74 - HA LEU 67 50.000% * 75.2498% (0.75 3.81 24.34) = 75.250% kept HB ILE 68 - HA LEU 67 50.000% * 24.7502% (0.30 3.09 19.74) = 24.750% kept Peak 3174 (0.91, 5.57, 52.81 ppm): 13 chemical-shift based assignments, quality = 0.614, support = 3.14, residual support = 22.1: HG13 ILE 68 - HA LEU 67 7.692% * 39.8839% (0.71 3.51 19.74) = 39.884% kept QD1 LEU 67 - HA LEU 67 7.692% * 27.6390% (0.67 2.56 27.70) = 27.639% kept HG LEU 74 - HA LEU 67 7.692% * 26.9056% (0.44 3.81 24.34) = 26.906% kept QG1 VAL 47 - HA LEU 67 7.692% * 2.5307% (0.62 0.25 0.02) = 2.531% kept QG2 VAL 73 - HA LEU 67 7.692% * 2.2544% (0.60 0.23 1.01) = 2.254% kept QG2 VAL 87 - HA LEU 67 7.692% * 0.2220% (0.69 0.02 0.02) = 0.222% QG2 VAL 105 - HA LEU 67 7.692% * 0.1926% (0.60 0.02 0.02) = 0.193% QG1 VAL 80 - HA LEU 67 7.692% * 0.0989% (0.31 0.02 0.02) = 0.099% QG1 VAL 122 - HA LEU 67 7.692% * 0.0669% (0.21 0.02 0.02) = 0.067% QD1 LEU 17 - HA LEU 67 7.692% * 0.0669% (0.21 0.02 0.02) = 0.067% QG1 VAL 105 - HA LEU 67 7.692% * 0.0600% (0.19 0.02 0.02) = 0.060% QG2 VAL 47 - HA LEU 67 7.692% * 0.0421% (0.13 0.02 0.02) = 0.042% QG2 VAL 125 - HA LEU 67 7.692% * 0.0371% (0.12 0.02 0.02) = 0.037% 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): 1 diagonal assignment: QG1 VAL 94 - QG1 VAL 94 (0.46) kept Peak 3299 (0.70, 0.70, 21.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3300 (0.91, 0.91, 20.89 ppm): 2 diagonal assignments: QG2 VAL 87 - QG2 VAL 87 (0.65) kept QG2 VAL 105 - QG2 VAL 105 (0.40) kept Peak 3301 (0.84, 0.83, 20.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3302 (1.38, 1.37, 18.84 ppm): 1 diagonal assignment: QB ALA 91 - QB ALA 91 (0.63) kept Peak 3303 (0.86, 0.86, 17.88 ppm): 1 diagonal assignment: QG2 ILE 100 - QG2 ILE 100 (0.72) kept Peak 3304 (2.06, 0.71, 17.86 ppm): 12 chemical-shift based assignments, quality = 0.463, support = 1.58, residual support = 1.94: HB3 GLU- 75 - QG2 ILE 101 8.333% * 59.9115% (0.51 2.33 3.18) = 59.911% kept HG3 ARG+ 53 - QG2 ILE 101 8.333% * 17.4480% (0.57 0.60 0.21) = 17.448% kept HB3 LYS+ 120 - QG2 ILE 101 8.333% * 6.4801% (0.42 0.30 0.02) = 6.480% kept HD3 LYS+ 110 - QG2 ILE 101 8.333% * 4.6911% (0.20 0.46 0.02) = 4.691% kept HB2 GLU- 45 - QG2 ILE 101 8.333% * 4.3030% (0.35 0.24 0.02) = 4.303% kept HA1 GLY 58 - QG2 ILE 101 8.333% * 2.7950% (0.09 0.63 0.02) = 2.795% kept HB2 LYS+ 110 - QG2 ILE 101 8.333% * 1.9239% (0.16 0.23 0.02) = 1.924% kept HB2 LEU 43 - QG2 ILE 101 8.333% * 1.8192% (0.13 0.27 0.02) = 1.819% kept HB VAL 62 - QG2 ILE 101 8.333% * 0.2031% (0.20 0.02 0.02) = 0.203% HG3 PRO 86 - QG2 ILE 101 8.333% * 0.2031% (0.20 0.02 0.02) = 0.203% HB VAL 125 - QG2 ILE 101 8.333% * 0.1178% (0.12 0.02 0.02) = 0.118% HB3 LYS+ 110 - QG2 ILE 101 8.333% * 0.1043% (0.10 0.02 0.02) = 0.104% Peak 3305 (9.31, 0.95, 17.31 ppm): 4 chemical-shift based assignments, quality = 0.763, support = 5.37, residual support = 54.4: HN ILE 29 - QG2 ILE 29 25.000% * 48.1267% (0.92 5.59 60.56) = 48.127% kept HN ILE 29 - HG12 ILE 29 25.000% * 39.3944% (0.67 6.34 60.56) = 39.394% kept HN LEU 23 - QG2 ILE 29 25.000% * 6.6290% (0.53 1.35 11.48) = 6.629% kept HN LEU 23 - HG12 ILE 29 25.000% * 5.8499% (0.38 1.65 11.48) = 5.850% kept Peak 3306 (0.91, 3.93, 56.31 ppm): 13 chemical-shift based assignments, quality = 0.111, support = 2.18, residual support = 2.21: HG LEU 74 - HA LYS+ 44 7.692% * 47.2713% (0.10 3.83 4.29) = 47.271% kept QG2 VAL 73 - HA LYS+ 44 7.692% * 19.9494% (0.15 1.05 0.14) = 19.949% kept QG2 VAL 87 - HA LYS+ 44 7.692% * 10.9631% (0.13 0.66 0.96) = 10.963% kept QD1 LEU 67 - HA LYS+ 44 7.692% * 6.4497% (0.13 0.41 0.21) = 6.450% kept QG2 VAL 105 - HA LYS+ 44 7.692% * 3.3762% (0.11 0.25 0.02) = 3.376% kept HG12 ILE 29 - HA LYS+ 44 7.692% * 3.2635% (0.03 1.03 0.02) = 3.264% kept QG1 VAL 105 - HA LYS+ 44 7.692% * 2.5910% (0.06 0.34 0.02) = 2.591% kept QG1 VAL 47 - HA LYS+ 44 7.692% * 2.2951% (0.11 0.16 0.02) = 2.295% kept HG13 ILE 68 - HA LYS+ 44 7.692% * 1.9085% (0.14 0.11 0.73) = 1.908% kept QG2 VAL 62 - HA LYS+ 44 7.692% * 1.5762% (0.02 0.57 1.00) = 1.576% kept QD1 LEU 17 - HA LYS+ 44 7.692% * 0.1693% (0.07 0.02 0.02) = 0.169% QG1 VAL 80 - HA LYS+ 44 7.692% * 0.1145% (0.05 0.02 0.90) = 0.115% QG1 VAL 122 - HA LYS+ 44 7.692% * 0.0721% (0.03 0.02 0.02) = 0.072% Not enough quality. Peak unassigned. Peak 3307 (2.37, 3.93, 56.31 ppm): 5 chemical-shift based assignments, quality = 0.0939, support = 2.08, residual support = 2.94: HA1 GLY 58 - HA LYS+ 44 20.000% * 74.4446% (0.11 2.51 3.73) = 74.445% kept HG3 GLU- 50 - HA LYS+ 44 20.000% * 13.9514% (0.05 1.11 1.17) = 13.951% kept HB3 ASP- 28 - HA LYS+ 44 20.000% * 10.5394% (0.07 0.52 0.02) = 10.539% kept HB2 LYS+ 78 - HA LYS+ 44 20.000% * 0.6230% (0.11 0.02 0.02) = 0.623% HB2 CYS 121 - HA LYS+ 44 20.000% * 0.4415% (0.08 0.02 0.02) = 0.441% Not enough quality. Peak unassigned. Peak 3308 (4.00, 0.69, 14.32 ppm): 12 chemical-shift based assignments, quality = 0.542, support = 1.23, residual support = 1.65: HB THR 95 - QD1 ILE 19 8.333% * 44.4617% (0.51 1.00 1.89 2.60) = 44.462% kept HA LYS+ 44 - QD1 ILE 19 8.333% * 28.6878% (0.61 1.00 1.02 1.66) = 28.688% kept HB3 SER 77 - QD1 ILE 19 8.333% * 11.5444% (0.58 1.00 0.43 0.02) = 11.544% kept HA1 GLY 92 - QD1 ILE 19 8.333% * 9.4522% (0.51 1.00 0.40 0.02) = 9.452% kept HB THR 39 - QD1 ILE 19 8.333% * 3.7473% (0.60 1.00 0.14 0.02) = 3.747% kept T HA LYS+ 44 - QD1 ILE 68 8.333% * 1.1462% (0.12 10.00 0.02 0.73) = 1.146% kept HB THR 39 - QD1 ILE 68 8.333% * 0.4898% (0.12 1.00 0.09 0.02) = 0.490% HB THR 38 - QD1 ILE 19 8.333% * 0.1405% (0.15 1.00 0.02 0.02) = 0.141% HB3 SER 77 - QD1 ILE 68 8.333% * 0.1095% (0.12 1.00 0.02 0.02) = 0.109% HA1 GLY 92 - QD1 ILE 68 8.333% * 0.0960% (0.10 1.00 0.02 0.02) = 0.096% HB THR 95 - QD1 ILE 68 8.333% * 0.0960% (0.10 1.00 0.02 0.02) = 0.096% HB THR 38 - QD1 ILE 68 8.333% * 0.0287% (0.03 1.00 0.02 0.02) = 0.029% Peak 3309 (0.69, 0.69, 14.32 ppm): 1 diagonal assignment: QD1 ILE 19 - QD1 ILE 19 (0.60) kept Peak 3310 (2.94, 0.80, 12.73 ppm): 3 chemical-shift based assignments, quality = 0.47, support = 0.532, residual support = 0.621: HA1 GLY 58 - QD1 ILE 100 33.333% * 74.2448% (0.47 0.65 0.83) = 74.245% kept HE3 LYS+ 60 - QD1 ILE 100 33.333% * 23.2053% (0.46 0.21 0.02) = 23.205% kept HG3 MET 97 - QD1 ILE 100 33.333% * 2.5499% (0.53 0.02 0.02) = 2.550% 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): 9 chemical-shift based assignments, quality = 0.333, support = 2.37, residual support = 22.5: O HG3 PRO 104 - HD2 PRO 104 11.111% * 99.5536% (0.33 10.0 2.38 22.65) = 99.554% kept HB VAL 73 - HD2 PRO 104 11.111% * 0.1004% (0.34 1.0 0.02 0.02) = 0.100% HB3 GLU- 109 - HD2 PRO 104 11.111% * 0.0768% (0.26 1.0 0.02 0.02) = 0.077% HB VAL 122 - HD2 PRO 104 11.111% * 0.0729% (0.25 1.0 0.02 0.42) = 0.073% HG3 PRO 116 - HD2 PRO 104 11.111% * 0.0609% (0.20 1.0 0.02 0.02) = 0.061% HB2 LYS+ 108 - HD2 PRO 104 11.111% * 0.0609% (0.20 1.0 0.02 0.02) = 0.061% HG3 PRO 31 - HD2 PRO 104 11.111% * 0.0310% (0.10 1.0 0.02 0.02) = 0.031% HB3 LYS+ 55 - HD2 PRO 104 11.111% * 0.0279% (0.09 1.0 0.02 0.02) = 0.028% HB2 GLU- 75 - HD2 PRO 104 11.111% * 0.0155% (0.05 1.0 0.02 0.02) = 0.015% 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): 3 chemical-shift based assignments, quality = 0.39, support = 1.36, residual support = 23.0: T QD2 LEU 74 - HB3 LEU 67 33.333% * 87.6141% (0.39 10.00 1.39 24.34) = 87.614% kept QG2 ILE 68 - HB3 LEU 67 33.333% * 8.0574% (0.41 1.00 1.24 19.74) = 8.057% kept QD2 LEU 43 - HB3 LEU 67 33.333% * 4.3286% (0.31 1.00 0.87 2.27) = 4.329% kept Peak 3324 (0.46, 1.21, 46.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3325 (5.58, 1.21, 46.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3326 (5.58, 1.47, 46.81 ppm): 1 chemical-shift based assignment, quality = 0.0557, support = 3.36, residual support = 27.7: O HA LEU 67 - HB3 LEU 67 100.000% *100.0000% (0.06 10.0 3.36 27.70) = 100.000% kept Peak 3327 (1.39, 2.13, 45.41 ppm): 9 chemical-shift based assignments, quality = 0.263, support = 0.734, residual support = 0.745: HD3 LYS+ 20 - HB2 ASP- 28 11.111% * 46.3379% (0.36 0.60 0.45) = 46.338% kept HG LEU 74 - HB2 ASP- 28 11.111% * 41.4845% (0.19 1.04 1.21) = 41.484% kept HB3 LYS+ 20 - HB2 ASP- 28 11.111% * 7.3680% (0.11 0.31 0.45) = 7.368% kept QG2 THR 39 - HB2 ASP- 28 11.111% * 1.4357% (0.34 0.02 0.02) = 1.436% kept HG2 LYS+ 78 - HB2 ASP- 28 11.111% * 1.1119% (0.26 0.02 0.02) = 1.112% kept QB ALA 42 - HB2 ASP- 28 11.111% * 0.7066% (0.17 0.02 0.02) = 0.707% QB ALA 37 - HB2 ASP- 28 11.111% * 0.5863% (0.14 0.02 0.02) = 0.586% QG2 THR 38 - HB2 ASP- 28 11.111% * 0.5863% (0.14 0.02 0.02) = 0.586% QB ALA 91 - HB2 ASP- 28 11.111% * 0.3827% (0.09 0.02 0.02) = 0.383% Peak 3328 (1.02, 2.13, 45.41 ppm): 4 chemical-shift based assignments, quality = 0.368, support = 0.803, residual support = 0.703: HG LEU 74 - HB2 ASP- 28 25.000% * 38.2379% (0.35 1.04 1.21) = 38.238% kept HG13 ILE 100 - HB2 ASP- 28 25.000% * 32.6607% (0.40 0.79 0.37) = 32.661% kept QG1 VAL 99 - HB2 ASP- 28 25.000% * 22.9444% (0.40 0.55 0.40) = 22.944% kept HG3 LYS+ 20 - HB2 ASP- 28 25.000% * 6.1570% (0.18 0.33 0.45) = 6.157% kept Peak 3329 (1.39, 2.38, 45.41 ppm): 9 chemical-shift based assignments, quality = 0.229, support = 0.565, residual support = 0.713: HG LEU 74 - HB3 ASP- 28 11.111% * 37.9989% (0.19 0.75 1.21) = 37.999% kept HD3 LYS+ 20 - HB3 ASP- 28 11.111% * 34.0721% (0.36 0.35 0.45) = 34.072% kept HB3 LYS+ 20 - HB3 ASP- 28 11.111% * 21.8492% (0.11 0.72 0.45) = 21.849% kept QG2 THR 39 - HB3 ASP- 28 11.111% * 1.8149% (0.34 0.02 0.02) = 1.815% kept HG2 LYS+ 78 - HB3 ASP- 28 11.111% * 1.4056% (0.26 0.02 0.02) = 1.406% kept QB ALA 42 - HB3 ASP- 28 11.111% * 0.8933% (0.17 0.02 0.02) = 0.893% QB ALA 37 - HB3 ASP- 28 11.111% * 0.7412% (0.14 0.02 0.02) = 0.741% QG2 THR 38 - HB3 ASP- 28 11.111% * 0.7412% (0.14 0.02 0.02) = 0.741% QB ALA 91 - HB3 ASP- 28 11.111% * 0.4837% (0.09 0.02 0.02) = 0.484% Peak 3330 (1.02, 2.38, 45.41 ppm): 4 chemical-shift based assignments, quality = 0.346, support = 0.759, residual support = 0.618: HG13 ILE 100 - HB3 ASP- 28 25.000% * 30.1069% (0.40 0.77 0.37) = 30.107% kept HG LEU 74 - HB3 ASP- 28 25.000% * 26.4510% (0.36 0.75 1.21) = 26.451% kept HG3 LYS+ 20 - HB3 ASP- 28 25.000% * 24.1876% (0.28 0.89 0.45) = 24.188% kept QG1 VAL 99 - HB3 ASP- 28 25.000% * 19.2546% (0.34 0.58 0.40) = 19.255% kept Peak 3331 (0.68, 3.46, 45.57 ppm): 8 chemical-shift based assignments, quality = 0.509, support = 1.49, residual support = 1.38: HG12 ILE 19 - HA1 GLY 71 12.500% * 40.8495% (0.54 2.05 1.92) = 40.849% kept QG1 VAL 62 - HA1 GLY 71 12.500% * 20.8275% (0.42 1.36 0.86) = 20.827% kept QG2 VAL 94 - HA1 GLY 71 12.500% * 19.5023% (0.54 0.99 0.34) = 19.502% kept QD1 ILE 19 - HA1 GLY 71 12.500% * 18.2628% (0.52 0.96 1.92) = 18.263% kept HG LEU 67 - HA1 GLY 71 12.500% * 0.2112% (0.29 0.02 0.02) = 0.211% HG2 PRO 59 - HA1 GLY 71 12.500% * 0.1954% (0.27 0.02 0.02) = 0.195% QG2 ILE 101 - HA1 GLY 71 12.500% * 0.0894% (0.12 0.02 0.17) = 0.089% QG2 ILE 48 - HA1 GLY 71 12.500% * 0.0619% (0.08 0.02 0.02) = 0.062% Peak 3332 (3.53, 3.53, 45.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3333 (1.60, 1.16, 41.76 ppm): 12 chemical-shift based assignments, quality = 0.073, support = 2.36, residual support = 11.2: HB2 LEU 67 - HB ILE 68 8.333% * 55.1248% (0.05 3.73 19.74) = 55.125% kept HB ILE 100 - HB ILE 68 8.333% * 18.6860% (0.05 1.27 1.51) = 18.686% kept HG3 LYS+ 78 - HB ILE 68 8.333% * 8.9148% (0.12 0.25 0.16) = 8.915% kept HG12 ILE 101 - HB ILE 68 8.333% * 8.1175% (0.05 0.55 0.12) = 8.117% kept HD3 LYS+ 32 - HB ILE 68 8.333% * 1.8475% (0.31 0.02 0.02) = 1.848% kept HB3 LEU 17 - HB ILE 68 8.333% * 1.7169% (0.29 0.02 0.02) = 1.717% kept HB3 LYS+ 32 - HB ILE 68 8.333% * 1.5990% (0.27 0.02 0.02) = 1.599% kept HG3 LYS+ 110 - HB ILE 68 8.333% * 1.4630% (0.24 0.02 0.02) = 1.463% kept HG2 LYS+ 110 - HB ILE 68 8.333% * 1.3901% (0.23 0.02 0.02) = 1.390% kept HG3 LYS+ 60 - HB ILE 68 8.333% * 0.4262% (0.07 0.02 0.02) = 0.426% HB ILE 19 - HB ILE 68 8.333% * 0.3789% (0.06 0.02 5.30) = 0.379% HG LEU 17 - HB ILE 68 8.333% * 0.3353% (0.06 0.02 0.02) = 0.335% Peak 3334 (0.46, 1.29, 41.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3335 (-0.04, 1.29, 41.94 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3336 (6.90, 1.92, 41.19 ppm): 2 chemical-shift based assignments, quality = 0.475, support = 4.1, residual support = 16.0: QD PHE 21 - HB ILE 29 50.000% * 85.6546% (0.50 4.59 18.47) = 85.655% kept HD21 ASN 119 - HB ILE 29 50.000% * 14.3454% (0.33 1.16 1.21) = 14.345% kept Peak 3337 (5.29, 2.74, 39.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3338 (5.29, 2.97, 39.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3339 (7.43, 2.28, 37.56 ppm): 2 chemical-shift based assignments, quality = 0.138, support = 1.54, residual support = 2.06: HN GLU- 64 - HG3 GLU- 64 50.000% * 63.3066% (0.06 2.28 3.24) = 63.307% kept HN THR 61 - HG3 GLU- 64 50.000% * 36.6934% (0.28 0.27 0.02) = 36.693% kept Not enough quality. Peak unassigned. Peak 3340 (7.42, 2.02, 31.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3341 (8.09, 1.96, 31.75 ppm): 5 chemical-shift based assignments, quality = 0.761, support = 0.819, residual support = 0.318: HN VAL 122 - HB VAL 73 20.000% * 62.5942% (0.85 1.00 0.37) = 62.594% kept HN CYS 121 - HB VAL 73 20.000% * 29.2950% (0.64 0.62 0.30) = 29.295% kept HN LYS+ 110 - HB VAL 73 20.000% * 6.3023% (0.64 0.13 0.02) = 6.302% kept HN SER 88 - HB VAL 73 20.000% * 1.5817% (0.27 0.08 0.02) = 1.582% kept HN GLY 26 - HB VAL 73 20.000% * 0.2269% (0.15 0.02 0.02) = 0.227% Peak 3342 (4.24, 2.02, 30.22 ppm): 12 chemical-shift based assignments, quality = 0.101, support = 0.72, residual support = 4.59: O T HA GLU- 75 - HB3 GLU- 75 8.333% * 53.1545% (0.07 10.0 10.00 1.00 8.60) = 53.155% kept T HA GLU- 56 - HB3 GLU- 75 8.333% * 27.8071% (0.11 1.0 10.00 0.60 0.02) = 27.807% kept T HA SER 49 - HB3 GLU- 75 8.333% * 7.6133% (0.21 1.0 10.00 0.09 0.02) = 7.613% kept T HA LYS+ 44 - HB3 GLU- 75 8.333% * 2.8657% (0.03 1.0 10.00 0.21 0.02) = 2.866% kept HA GLU- 54 - HB3 GLU- 75 8.333% * 2.8380% (0.22 1.0 1.00 0.31 0.12) = 2.838% kept T HA PRO 59 - HB3 GLU- 75 8.333% * 1.7145% (0.21 1.0 10.00 0.02 0.02) = 1.715% kept T HA GLU- 18 - HB3 GLU- 75 8.333% * 1.6583% (0.20 1.0 10.00 0.02 0.14) = 1.658% kept T HA LYS+ 108 - HB3 GLU- 75 8.333% * 1.6583% (0.20 1.0 10.00 0.02 0.02) = 1.658% kept HB3 SER 49 - HB3 GLU- 75 8.333% * 0.3806% (0.11 1.0 1.00 0.09 0.02) = 0.381% HA2 GLY 114 - HB3 GLU- 75 8.333% * 0.1160% (0.14 1.0 1.00 0.02 0.02) = 0.116% HA ALA 42 - HB3 GLU- 75 8.333% * 0.1006% (0.12 1.0 1.00 0.02 0.02) = 0.101% HA LYS+ 110 - HB3 GLU- 75 8.333% * 0.0931% (0.11 1.0 1.00 0.02 0.02) = 0.093% Peak 3343 (4.37, 4.36, 72.92 ppm): 10 chemical-shift based assignments, quality = 0.242, support = 0.965, residual support = 5.84: T HA2 GLY 26 - HB THR 61 10.000% * 48.0579% (0.23 10.00 0.22 0.02) = 48.058% kept HA LYS+ 60 - HB THR 61 10.000% * 46.8079% (0.27 1.00 1.83 12.45) = 46.808% kept T HA1 GLY 26 - HB THR 61 10.000% * 2.5102% (0.13 10.00 0.02 0.02) = 2.510% kept HA THR 38 - HB THR 61 10.000% * 0.5146% (0.27 1.00 0.02 0.02) = 0.515% HA ALA 37 - HB THR 61 10.000% * 0.4977% (0.27 1.00 0.02 0.02) = 0.498% HA ASN 57 - HB THR 61 10.000% * 0.4878% (0.26 1.00 0.02 0.02) = 0.488% HA TRP 51 - HB THR 61 10.000% * 0.3941% (0.21 1.00 0.02 0.02) = 0.394% HA LYS+ 117 - HB THR 61 10.000% * 0.3745% (0.20 1.00 0.02 0.02) = 0.374% HA SER 88 - HB THR 61 10.000% * 0.2120% (0.11 1.00 0.02 0.02) = 0.212% HA THR 95 - HB THR 61 10.000% * 0.1434% (0.08 1.00 0.02 0.02) = 0.143% Peak 3344 (4.72, 4.36, 72.92 ppm): 3 chemical-shift based assignments, quality = 0.0666, support = 2.65, residual support = 14.5: O HA THR 61 - HB THR 61 33.333% * 89.0071% (0.04 10.0 2.94 16.30) = 89.007% kept HA2 GLY 30 - HB THR 61 33.333% * 10.4755% (0.27 1.0 0.36 0.02) = 10.476% kept HA PRO 31 - HB THR 61 33.333% * 0.5173% (0.25 1.0 0.02 0.02) = 0.517% Peak 3345 (8.77, 4.36, 72.92 ppm): 4 chemical-shift based assignments, quality = 0.189, support = 3.88, residual support = 12.1: HN VAL 62 - HB THR 61 25.000% * 90.7053% (0.19 4.24 13.30) = 90.705% kept HN THR 95 - HB THR 61 25.000% * 8.4026% (0.21 0.35 0.02) = 8.403% kept HN PHE 34 - HB THR 61 25.000% * 0.5398% (0.24 0.02 0.02) = 0.540% HN SER 69 - HB THR 61 25.000% * 0.3523% (0.16 0.02 0.02) = 0.352% Peak 3346 (1.46, 0.39, 29.23 ppm): 14 chemical-shift based assignments, quality = 0.543, support = 1.6, residual support = 7.89: HB3 LEU 67 - HG12 ILE 48 7.143% * 37.0196% (0.79 1.48 9.52) = 37.020% kept HB3 LEU 67 - HG13 ILE 48 7.143% * 34.1902% (0.53 2.05 9.52) = 34.190% kept HG LEU 74 - HG12 ILE 48 7.143% * 11.5183% (0.28 1.33 5.19) = 11.518% kept HG LEU 74 - HG13 ILE 48 7.143% * 9.9188% (0.18 1.71 5.19) = 9.919% kept HB3 LYS+ 60 - HG12 ILE 48 7.143% * 3.8125% (0.32 0.37 0.02) = 3.812% kept HB3 LYS+ 60 - HG13 ILE 48 7.143% * 2.5254% (0.22 0.37 0.02) = 2.525% kept HG LEU 90 - HG12 ILE 48 7.143% * 0.2459% (0.39 0.02 0.02) = 0.246% QB ALA 70 - HG12 ILE 48 7.143% * 0.1663% (0.26 0.02 0.02) = 0.166% HG LEU 90 - HG13 ILE 48 7.143% * 0.1638% (0.26 0.02 0.02) = 0.164% QB ALA 70 - HG13 ILE 48 7.143% * 0.1108% (0.18 0.02 0.02) = 0.111% HG3 LYS+ 55 - HG12 ILE 48 7.143% * 0.1048% (0.17 0.02 0.02) = 0.105% HD3 LYS+ 113 - HG12 ILE 48 7.143% * 0.0923% (0.15 0.02 0.02) = 0.092% HG3 LYS+ 55 - HG13 ILE 48 7.143% * 0.0698% (0.11 0.02 0.02) = 0.070% HD3 LYS+ 113 - HG13 ILE 48 7.143% * 0.0615% (0.10 0.02 0.02) = 0.061% Peak 3347 (3.04, 3.04, 29.47 ppm): 1 diagonal assignment: HB2 TRP 51 - HB2 TRP 51 (0.57) kept Peak 3348 (2.15, 3.08, 67.42 ppm): 8 chemical-shift based assignments, quality = 0.439, support = 3.73, residual support = 36.3: O HB VAL 47 - HA VAL 47 12.500% * 96.4649% (0.44 10.0 3.86 37.60) = 96.465% kept HG3 GLN 102 - HA VAL 47 12.500% * 2.1272% (0.52 1.0 0.37 0.26) = 2.127% kept HB3 GLU- 75 - HA VAL 47 12.500% * 0.7529% (0.37 1.0 0.19 0.02) = 0.753% HB2 ASP- 28 - HA VAL 47 12.500% * 0.4311% (0.44 1.0 0.09 0.02) = 0.431% HB3 LYS+ 78 - HA VAL 47 12.500% * 0.1194% (0.55 1.0 0.02 0.02) = 0.119% HG2 PRO 104 - HA VAL 47 12.500% * 0.0586% (0.27 1.0 0.02 0.02) = 0.059% HA1 GLY 58 - HA VAL 47 12.500% * 0.0295% (0.14 1.0 0.02 0.02) = 0.030% HG2 GLN 102 - HA VAL 47 12.500% * 0.0163% (0.08 1.0 0.02 0.26) = 0.016% Peak 3349 (0.94, 3.44, 66.58 ppm): 10 chemical-shift based assignments, quality = 0.795, support = 2.38, residual support = 29.2: O QG2 VAL 62 - HA VAL 62 10.000% * 85.8750% (0.82 10.0 2.45 31.97) = 85.875% kept HG3 LYS+ 63 - HA VAL 62 10.000% * 7.3881% (0.68 1.0 2.08 21.65) = 7.388% kept HG LEU 74 - HA VAL 62 10.000% * 6.2123% (0.60 1.0 2.00 2.56) = 6.212% kept QG1 VAL 105 - HA VAL 62 10.000% * 0.0912% (0.88 1.0 0.02 0.02) = 0.091% QD1 LEU 17 - HA VAL 62 10.000% * 0.0898% (0.86 1.0 0.02 0.02) = 0.090% HG12 ILE 29 - HA VAL 62 10.000% * 0.0880% (0.84 1.0 0.02 0.02) = 0.088% QG2 ILE 29 - HA VAL 62 10.000% * 0.0807% (0.77 1.0 0.02 0.02) = 0.081% HG12 ILE 68 - HA VAL 62 10.000% * 0.0807% (0.77 1.0 0.02 0.02) = 0.081% QG2 VAL 99 - HA VAL 62 10.000% * 0.0489% (0.47 1.0 0.02 0.02) = 0.049% QG2 VAL 73 - HA VAL 62 10.000% * 0.0453% (0.43 1.0 0.02 0.15) = 0.045% Peak 3350 (0.90, 0.89, 25.09 ppm): 26 chemical-shift based assignments, quality = 0.136, support = 0.31, residual support = 0.121: HG LEU 74 - QD1 LEU 17 3.846% * 36.3295% (0.07 0.79 0.30) = 36.330% kept QD1 LEU 67 - QD1 LEU 17 3.846% * 8.9762% (0.11 0.12 0.02) = 8.976% kept HG13 ILE 68 - QD1 LEU 17 3.846% * 5.5484% (0.10 0.08 0.02) = 5.548% kept QG2 VAL 105 - QD1 LEU 90 3.846% * 3.9363% (0.28 0.02 0.02) = 3.936% kept QG1 VAL 47 - QD1 LEU 90 3.846% * 3.8583% (0.28 0.02 0.02) = 3.858% kept QG1 VAL 80 - QD1 LEU 90 3.846% * 3.7652% (0.27 0.02 0.02) = 3.765% kept QD1 LEU 67 - QD1 LEU 90 3.846% * 3.6579% (0.26 0.02 0.02) = 3.658% kept QG2 VAL 87 - QD1 LEU 90 3.846% * 3.5380% (0.26 0.02 0.02) = 3.538% kept HG13 ILE 68 - QD1 LEU 90 3.846% * 3.4069% (0.25 0.02 0.02) = 3.407% kept QG1 VAL 122 - QD1 LEU 90 3.846% * 3.2660% (0.24 0.02 0.02) = 3.266% kept QG2 VAL 47 - QD1 LEU 90 3.846% * 2.6386% (0.19 0.02 0.02) = 2.639% kept QG2 VAL 125 - QD1 LEU 90 3.846% * 2.4739% (0.18 0.02 0.02) = 2.474% kept QG1 VAL 40 - QD1 LEU 90 3.846% * 2.3092% (0.17 0.02 0.02) = 2.309% kept HG LEU 74 - QD1 LEU 90 3.846% * 2.2337% (0.16 0.02 0.02) = 2.234% kept QG2 VAL 105 - QD1 LEU 17 3.846% * 1.6301% (0.12 0.02 0.02) = 1.630% kept QG1 VAL 47 - QD1 LEU 17 3.846% * 1.5978% (0.12 0.02 0.02) = 1.598% kept QG1 VAL 80 - QD1 LEU 17 3.846% * 1.5592% (0.11 0.02 0.02) = 1.559% kept QG2 VAL 87 - QD1 LEU 17 3.846% * 1.4651% (0.11 0.02 0.02) = 1.465% kept QG1 VAL 122 - QD1 LEU 17 3.846% * 1.3525% (0.10 0.02 0.02) = 1.353% kept QG2 VAL 122 - QD1 LEU 90 3.846% * 1.2589% (0.09 0.02 0.02) = 1.259% kept QG2 VAL 73 - QD1 LEU 90 3.846% * 1.1340% (0.08 0.02 0.02) = 1.134% kept QG2 VAL 47 - QD1 LEU 17 3.846% * 1.0927% (0.08 0.02 0.02) = 1.093% kept QG2 VAL 125 - QD1 LEU 17 3.846% * 1.0245% (0.07 0.02 0.02) = 1.024% kept QG1 VAL 40 - QD1 LEU 17 3.846% * 0.9563% (0.07 0.02 0.02) = 0.956% QG2 VAL 122 - QD1 LEU 17 3.846% * 0.5213% (0.04 0.02 0.02) = 0.521% QG2 VAL 73 - QD1 LEU 17 3.846% * 0.4696% (0.03 0.02 0.02) = 0.470% Not enough quality. Peak unassigned. Peak 3351 (0.93, 0.93, 24.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3352 (4.99, 3.71, 65.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3353 (8.81, 3.71, 65.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3354 (8.81, 3.54, 65.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3355 (7.32, 3.43, 65.81 ppm): 14 chemical-shift based assignments, quality = 0.0971, support = 3.76, residual support = 51.0: O HN ILE 48 - HA ILE 48 7.143% * 39.2484% (0.03 10.0 5.82 113.80) = 39.248% kept HN VAL 47 - HA ILE 48 7.143% * 35.8002% (0.14 1.0 3.74 16.99) = 35.800% kept HZ2 TRP 51 - HA ILE 48 7.143% * 5.9651% (0.12 1.0 0.75 2.35) = 5.965% kept QD PHE 34 - HA ILE 48 7.143% * 5.9431% (0.15 1.0 0.60 0.68) = 5.943% kept HN ARG+ 84 - HA ILE 48 7.143% * 5.6370% (0.14 1.0 0.60 0.64) = 5.637% kept QE PHE 34 - HA ILE 48 7.143% * 3.5076% (0.12 1.0 0.44 0.68) = 3.508% kept HN ARG+ 84 - HB2 SER 69 7.143% * 1.8651% (0.29 1.0 0.10 0.02) = 1.865% kept QD PHE 34 - HB2 SER 69 7.143% * 0.4078% (0.31 1.0 0.02 0.02) = 0.408% HN VAL 47 - HB2 SER 69 7.143% * 0.3971% (0.30 1.0 0.02 0.02) = 0.397% HZ2 TRP 51 - HB2 SER 69 7.143% * 0.3295% (0.25 1.0 0.02 0.02) = 0.329% QE PHE 34 - HB2 SER 69 7.143% * 0.3295% (0.25 1.0 0.02 0.02) = 0.329% HZ PHE 34 - HB2 SER 69 7.143% * 0.3295% (0.25 1.0 0.02 0.02) = 0.329% HZ PHE 34 - HA ILE 48 7.143% * 0.1588% (0.12 1.0 0.02 0.68) = 0.159% HN ILE 48 - HB2 SER 69 7.143% * 0.0814% (0.06 1.0 0.02 1.99) = 0.081% Peak 3356 (3.43, 3.43, 65.81 ppm): 2 diagonal assignments: HB2 SER 69 - HB2 SER 69 (0.30) kept HA ILE 48 - HA ILE 48 (0.03) kept Peak 3357 (8.75, 3.44, 66.51 ppm): 4 chemical-shift based assignments, quality = 0.856, support = 3.68, residual support = 31.6: O HN VAL 62 - HA VAL 62 25.000% * 98.8703% (0.87 10.0 3.72 31.97) = 98.870% kept HN GLU- 56 - HA VAL 62 25.000% * 0.9739% (0.62 1.0 0.27 0.02) = 0.974% HN PHE 34 - HA VAL 62 25.000% * 0.0801% (0.70 1.0 0.02 0.02) = 0.080% HN ILE 101 - HA VAL 62 25.000% * 0.0757% (0.66 1.0 0.02 0.02) = 0.076% Peak 3358 (0.56, 1.63, 27.60 ppm): 6 chemical-shift based assignments, quality = 0.59, support = 1.82, residual support = 23.7: O T QD1 ILE 101 - HG12 ILE 101 16.667% * 70.1406% (0.77 10.0 10.00 1.71 26.87) = 70.141% kept O HG13 ILE 101 - HG12 ILE 101 16.667% * 17.6459% (0.19 10.0 1.00 2.70 26.87) = 17.646% kept T QD1 LEU 23 - HG12 ILE 101 16.667% * 7.8711% (0.14 1.0 10.00 1.27 0.56) = 7.871% kept T QD1 LEU 23 - HG3 ARG+ 84 16.667% * 3.9217% (0.08 1.0 10.00 1.08 1.01) = 3.922% kept T QD1 ILE 101 - HG3 ARG+ 84 16.667% * 0.4104% (0.45 1.0 10.00 0.02 0.02) = 0.410% HG13 ILE 101 - HG3 ARG+ 84 16.667% * 0.0103% (0.11 1.0 1.00 0.02 0.02) = 0.010% Peak 3359 (8.01, 3.84, 64.57 ppm): 10 chemical-shift based assignments, quality = 0.104, support = 0.152, residual support = 0.0198: HN SER 27 - HB3 SER 88 10.000% * 53.6649% (0.10 0.25 0.02) = 53.665% kept HN ILE 19 - HB2 SER 85 10.000% * 14.4153% (0.08 0.09 0.02) = 14.415% kept HN LYS+ 111 - HB2 SER 85 10.000% * 7.3248% (0.17 0.02 0.02) = 7.325% kept HN SER 27 - HB2 SER 85 10.000% * 7.3248% (0.17 0.02 0.02) = 7.325% kept HN MET 126 - HB2 SER 85 10.000% * 5.6103% (0.13 0.02 0.02) = 5.610% kept HN LYS+ 111 - HB3 SER 88 10.000% * 4.3393% (0.10 0.02 0.02) = 4.339% kept HN MET 126 - HB3 SER 88 10.000% * 3.3236% (0.08 0.02 0.02) = 3.324% kept HN ILE 19 - HB3 SER 88 10.000% * 1.9498% (0.04 0.02 0.02) = 1.950% kept HN LEU 43 - HB2 SER 85 10.000% * 1.2857% (0.03 0.02 0.02) = 1.286% kept HN LEU 43 - HB3 SER 88 10.000% * 0.7616% (0.02 0.02 0.02) = 0.762% Not enough support, support cutoff is 0.25 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3362 (0.89, 0.11, 22.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3363 (2.14, 0.11, 22.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3364 (3.08, 0.11, 22.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3365 (3.52, 0.11, 22.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3366 (6.87, 0.11, 22.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3367 (7.33, 0.11, 22.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3368 (7.06, 0.11, 22.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3369 (7.51, 0.11, 22.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3370 (0.59, 0.59, 22.78 ppm): 1 diagonal assignment: QD1 LEU 23 - QD1 LEU 23 (0.66) kept Peak 3371 (0.94, 0.59, 22.78 ppm): 10 chemical-shift based assignments, quality = 0.636, support = 1.24, residual support = 8.98: QG2 VAL 99 - QD1 LEU 23 10.000% * 35.6676% (0.55 1.75 7.36) = 35.668% kept HG12 ILE 29 - QD1 LEU 23 10.000% * 34.0548% (0.72 1.28 11.48) = 34.055% kept QG2 ILE 29 - QD1 LEU 23 10.000% * 21.2167% (0.71 0.80 11.48) = 21.217% kept HG LEU 74 - QD1 LEU 23 10.000% * 3.1167% (0.49 0.17 0.14) = 3.117% kept HG12 ILE 68 - QD1 LEU 23 10.000% * 2.5230% (0.71 0.10 0.02) = 2.523% kept QD1 LEU 17 - QD1 LEU 23 10.000% * 1.7883% (0.58 0.08 0.02) = 1.788% kept QG2 VAL 62 - QD1 LEU 23 10.000% * 0.5338% (0.72 0.02 0.02) = 0.534% HG3 LYS+ 63 - QD1 LEU 23 10.000% * 0.5049% (0.68 0.02 0.02) = 0.505% QG1 VAL 105 - QD1 LEU 23 10.000% * 0.4458% (0.60 0.02 0.02) = 0.446% QG2 VAL 73 - QD1 LEU 23 10.000% * 0.1484% (0.20 0.02 0.02) = 0.148% Peak 3372 (1.64, 0.59, 22.78 ppm): 10 chemical-shift based assignments, quality = 0.54, support = 1.81, residual support = 20.3: O HG LEU 23 - QD1 LEU 23 10.000% * 50.2619% (0.60 10.0 1.00 2.39 39.41) = 50.262% kept T HG12 ILE 101 - QD1 LEU 23 10.000% * 29.2062% (0.55 1.0 10.00 1.27 0.56) = 29.206% kept T HG3 ARG+ 84 - QD1 LEU 23 10.000% * 13.3789% (0.30 1.0 10.00 1.08 1.01) = 13.379% kept HB3 ARG+ 22 - QD1 LEU 23 10.000% * 3.2748% (0.52 1.0 1.00 1.50 4.42) = 3.275% kept HB ILE 100 - QD1 LEU 23 10.000% * 2.6396% (0.55 1.0 1.00 1.15 0.39) = 2.640% kept HB3 MET 97 - QD1 LEU 23 10.000% * 1.1457% (0.47 1.0 1.00 0.59 0.10) = 1.146% kept HB2 LEU 67 - QD1 LEU 23 10.000% * 0.0460% (0.55 1.0 1.00 0.02 0.02) = 0.046% HG3 LYS+ 78 - QD1 LEU 23 10.000% * 0.0270% (0.32 1.0 1.00 0.02 0.02) = 0.027% HG2 LYS+ 110 - QD1 LEU 23 10.000% * 0.0105% (0.13 1.0 1.00 0.02 0.02) = 0.011% HG3 LYS+ 110 - QD1 LEU 23 10.000% * 0.0093% (0.11 1.0 1.00 0.02 0.02) = 0.009% Peak 3373 (1.91, 0.59, 22.78 ppm): 12 chemical-shift based assignments, quality = 0.503, support = 2.43, residual support = 27.9: O T HB2 LEU 23 - QD1 LEU 23 8.333% * 60.1309% (0.58 10.0 10.00 2.88 39.41) = 60.131% kept T HB ILE 29 - QD1 LEU 23 8.333% * 36.8154% (0.38 1.0 10.00 1.86 11.48) = 36.815% kept HB3 GLN 102 - QD1 LEU 23 8.333% * 2.3881% (0.71 1.0 1.00 0.64 0.73) = 2.388% kept HD3 LYS+ 63 - QD1 LEU 23 8.333% * 0.2875% (0.71 1.0 1.00 0.08 0.02) = 0.287% HB3 GLU- 54 - QD1 LEU 23 8.333% * 0.0736% (0.71 1.0 1.00 0.02 0.02) = 0.074% HB3 MET 118 - QD1 LEU 23 8.333% * 0.0673% (0.65 1.0 1.00 0.02 0.02) = 0.067% HB3 GLU- 56 - QD1 LEU 23 8.333% * 0.0627% (0.60 1.0 1.00 0.02 0.02) = 0.063% HB3 PRO 35 - QD1 LEU 23 8.333% * 0.0516% (0.49 1.0 1.00 0.02 0.02) = 0.052% HB3 CYS 123 - QD1 LEU 23 8.333% * 0.0516% (0.49 1.0 1.00 0.02 0.02) = 0.052% HG2 GLU- 18 - QD1 LEU 23 8.333% * 0.0337% (0.32 1.0 1.00 0.02 0.02) = 0.034% HB2 PRO 116 - QD1 LEU 23 8.333% * 0.0209% (0.20 1.0 1.00 0.02 2.57) = 0.021% HG2 PRO 112 - QD1 LEU 23 8.333% * 0.0167% (0.16 1.0 1.00 0.02 0.02) = 0.017% Peak 3374 (2.18, 0.59, 22.78 ppm): 10 chemical-shift based assignments, quality = 0.631, support = 1.77, residual support = 4.62: T HB VAL 99 - QD1 LEU 23 10.000% * 59.3880% (0.66 10.00 2.46 7.36) = 59.388% kept T HG2 GLN 102 - QD1 LEU 23 10.000% * 23.7162% (0.62 10.00 0.85 0.73) = 23.716% kept T HG2 MET 126 - QD1 LEU 23 10.000% * 10.6090% (0.52 10.00 0.45 0.02) = 10.609% kept HB2 ASP- 82 - QD1 LEU 23 10.000% * 3.4554% (0.65 1.00 1.20 1.42) = 3.455% kept HB3 PRO 104 - QD1 LEU 23 10.000% * 1.0416% (0.71 1.00 0.33 0.12) = 1.042% kept HA1 GLY 58 - QD1 LEU 23 10.000% * 1.0384% (0.22 1.00 1.07 2.50) = 1.038% kept HB2 LYS+ 113 - QD1 LEU 23 10.000% * 0.6815% (0.38 1.00 0.40 1.01) = 0.682% HG2 PRO 104 - QD1 LEU 23 10.000% * 0.0264% (0.30 1.00 0.02 0.12) = 0.026% HG3 GLU- 54 - QD1 LEU 23 10.000% * 0.0241% (0.27 1.00 0.02 0.02) = 0.024% HB3 GLU- 75 - QD1 LEU 23 10.000% * 0.0194% (0.22 1.00 0.02 0.02) = 0.019% Peak 3375 (2.76, 0.59, 22.78 ppm): 6 chemical-shift based assignments, quality = 0.484, support = 1.32, residual support = 3.68: HA1 GLY 58 - QD1 LEU 23 16.667% * 63.1278% (0.67 1.07 2.50) = 63.128% kept HB3 ASP- 115 - QD1 LEU 23 16.667% * 29.8699% (0.16 2.12 7.02) = 29.870% kept HB3 ASN 57 - QD1 LEU 23 16.667% * 3.6863% (0.18 0.23 0.02) = 3.686% kept HB3 PHE 21 - QD1 LEU 23 16.667% * 2.2330% (0.27 0.09 0.35) = 2.233% kept HE3 LYS+ 20 - QD1 LEU 23 16.667% * 0.7675% (0.44 0.02 0.02) = 0.767% HB2 ASN 119 - QD1 LEU 23 16.667% * 0.3155% (0.18 0.02 0.02) = 0.316% Peak 3376 (4.79, 0.59, 22.78 ppm): 5 chemical-shift based assignments, quality = 0.506, support = 1.74, residual support = 3.86: HA ASP- 115 - QD1 LEU 23 20.000% * 40.1348% (0.41 2.52 7.02) = 40.135% kept HA PRO 116 - QD1 LEU 23 20.000% * 30.0590% (0.52 1.47 2.57) = 30.059% kept HA LYS+ 113 - QD1 LEU 23 20.000% * 27.0683% (0.66 1.04 1.01) = 27.068% kept HA MET 97 - QD1 LEU 23 20.000% * 1.5900% (0.11 0.37 0.10) = 1.590% kept HA GLU- 107 - QD1 LEU 23 20.000% * 1.1480% (0.32 0.09 0.02) = 1.148% kept Peak 3377 (6.72, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.373, support = 2.69, residual support = 14.0: HZ3 TRP 51 - QD1 LEU 23 50.000% * 63.3670% (0.27 3.65 21.60) = 63.367% kept QE TYR 83 - QD1 LEU 23 50.000% * 36.6330% (0.55 1.04 0.81) = 36.633% kept Peak 3378 (7.19, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.611, support = 3.74, residual support = 21.6: HH2 TRP 51 - QD1 LEU 23 50.000% * 76.7834% (0.68 4.19 21.60) = 76.783% kept HN TRP 51 - QD1 LEU 23 50.000% * 23.2166% (0.38 2.28 21.60) = 23.217% kept Peak 3379 (2.93, 0.59, 22.78 ppm): 3 chemical-shift based assignments, quality = 0.589, support = 0.724, residual support = 1.35: HA1 GLY 58 - QD1 LEU 23 33.333% * 46.4412% (0.46 1.07 2.50) = 46.441% kept HE3 LYS+ 60 - QD1 LEU 23 33.333% * 32.3248% (0.70 0.49 0.50) = 32.325% kept HG3 MET 97 - QD1 LEU 23 33.333% * 21.2339% (0.71 0.31 0.10) = 21.234% kept Peak 3380 (7.35, 0.59, 22.78 ppm): 5 chemical-shift based assignments, quality = 0.376, support = 1.93, residual support = 12.7: HZ2 TRP 51 - QD1 LEU 23 20.000% * 57.9218% (0.38 2.83 21.60) = 57.922% kept QE PHE 34 - QD1 LEU 23 20.000% * 18.5497% (0.38 0.91 0.16) = 18.550% kept HE22 GLN 102 - QD1 LEU 23 20.000% * 13.2290% (0.44 0.56 0.73) = 13.229% kept HZ PHE 34 - QD1 LEU 23 20.000% * 6.4918% (0.38 0.32 0.16) = 6.492% kept QD PHE 34 - QD1 LEU 23 20.000% * 3.8077% (0.11 0.64 0.16) = 3.808% kept Peak 3381 (7.51, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.488, support = 1.81, residual support = 17.1: HE3 TRP 51 - QD1 LEU 23 50.000% * 77.8532% (0.55 2.00 21.60) = 77.853% kept HN ASP- 82 - QD1 LEU 23 50.000% * 22.1468% (0.27 1.16 1.42) = 22.147% kept Peak 3382 (9.31, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.527, support = 3.22, residual support = 22.8: HN ILE 29 - QD1 LEU 23 50.000% * 59.6273% (0.65 2.93 11.48) = 59.627% kept HN LEU 23 - QD1 LEU 23 50.000% * 40.3727% (0.35 3.65 39.41) = 40.373% 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): 20 chemical-shift based assignments, quality = 0.129, support = 0.264, residual support = 1.57: T HG LEU 17 - QD2 LEU 90 5.000% * 70.7184% (0.11 10.00 0.31 2.00) = 70.718% kept HD3 LYS+ 32 - QD2 LEU 90 5.000% * 9.7867% (0.20 1.00 0.24 0.17) = 9.787% kept HB3 LYS+ 32 - QD2 LEU 90 5.000% * 6.5219% (0.27 1.00 0.12 0.17) = 6.522% kept HB3 LEU 17 - QD2 LEU 90 5.000% * 6.3078% (0.16 1.00 0.19 2.00) = 6.308% kept HG3 LYS+ 110 - QD2 LEU 90 5.000% * 3.2325% (0.12 1.00 0.13 0.02) = 3.233% kept HG3 LYS+ 60 - QD2 LEU 90 5.000% * 0.5449% (0.13 1.00 0.02 0.02) = 0.545% HB ILE 19 - QD2 LEU 90 5.000% * 0.5019% (0.12 1.00 0.02 0.02) = 0.502% HG2 LYS+ 110 - QD2 LEU 90 5.000% * 0.4602% (0.11 1.00 0.02 0.02) = 0.460% HD3 LYS+ 60 - QD2 LEU 90 5.000% * 0.3819% (0.09 1.00 0.02 0.02) = 0.382% HB3 LYS+ 32 - QG1 VAL 122 5.000% * 0.2719% (0.07 1.00 0.02 0.02) = 0.272% HD3 LYS+ 32 - QG1 VAL 122 5.000% * 0.1979% (0.05 1.00 0.02 0.02) = 0.198% HG3 LYS+ 78 - QD2 LEU 90 5.000% * 0.1727% (0.04 1.00 0.02 0.02) = 0.173% HB3 LEU 17 - QG1 VAL 122 5.000% * 0.1653% (0.04 1.00 0.02 0.02) = 0.165% HG3 LYS+ 60 - QG1 VAL 122 5.000% * 0.1326% (0.03 1.00 0.02 0.02) = 0.133% HG3 LYS+ 110 - QG1 VAL 122 5.000% * 0.1222% (0.03 1.00 0.02 0.02) = 0.122% HB ILE 19 - QG1 VAL 122 5.000% * 0.1222% (0.03 1.00 0.02 0.02) = 0.122% HG2 LYS+ 110 - QG1 VAL 122 5.000% * 0.1120% (0.03 1.00 0.02 0.02) = 0.112% HG LEU 17 - QG1 VAL 122 5.000% * 0.1120% (0.03 1.00 0.02 0.02) = 0.112% HD3 LYS+ 60 - QG1 VAL 122 5.000% * 0.0929% (0.02 1.00 0.02 0.02) = 0.093% HG3 LYS+ 78 - QG1 VAL 122 5.000% * 0.0420% (0.01 1.00 0.02 0.02) = 0.042% Not enough quality. Peak unassigned. Peak 3389 (0.85, 0.85, 23.55 ppm): 24 chemical-shift based assignments, quality = 0.207, support = 0.721, residual support = 3.55: T HG3 LYS+ 117 - QD2 LEU 90 4.167% * 34.6559% (0.26 1.0 10.00 0.69 1.26) = 34.656% kept T HG2 LYS+ 117 - QD2 LEU 90 4.167% * 27.3065% (0.27 1.0 10.00 0.53 1.26) = 27.306% kept O QD1 LEU 90 - QD2 LEU 90 4.167% * 27.1100% (0.14 10.0 1.00 1.00 7.78) = 27.110% kept O QG2 VAL 122 - QG1 VAL 122 4.167% * 3.5985% (0.01 10.0 1.00 1.29 17.25) = 3.598% kept T QD2 LEU 17 - QD2 LEU 90 4.167% * 1.9502% (0.04 1.0 10.00 0.25 2.00) = 1.950% kept HG2 LYS+ 113 - QD2 LEU 90 4.167% * 1.6678% (0.10 1.0 1.00 0.86 0.33) = 1.668% kept T QG1 VAL 94 - QD2 LEU 90 4.167% * 1.3845% (0.08 1.0 10.00 0.09 0.02) = 1.384% kept T QD1 ILE 29 - QD2 LEU 90 4.167% * 0.7079% (0.18 1.0 10.00 0.02 0.02) = 0.708% T HG LEU 74 - QD2 LEU 90 4.167% * 0.4255% (0.11 1.0 10.00 0.02 0.02) = 0.425% T HG2 LYS+ 117 - QG1 VAL 122 4.167% * 0.2503% (0.07 1.0 10.00 0.02 0.02) = 0.250% T HG3 LYS+ 117 - QG1 VAL 122 4.167% * 0.2459% (0.06 1.0 10.00 0.02 0.02) = 0.246% T QD1 LEU 90 - QG1 VAL 122 4.167% * 0.1320% (0.03 1.0 10.00 0.02 0.02) = 0.132% T QG2 ILE 100 - QG1 VAL 122 4.167% * 0.1221% (0.03 1.0 10.00 0.02 0.02) = 0.122% T HG LEU 74 - QG1 VAL 122 4.167% * 0.1036% (0.03 1.0 10.00 0.02 5.46) = 0.104% T HG2 LYS+ 113 - QG1 VAL 122 4.167% * 0.0941% (0.02 1.0 10.00 0.02 0.02) = 0.094% HB ILE 101 - QD2 LEU 90 4.167% * 0.0924% (0.24 1.0 1.00 0.02 0.02) = 0.092% QG2 ILE 100 - QD2 LEU 90 4.167% * 0.0502% (0.13 1.0 1.00 0.02 0.02) = 0.050% QG2 VAL 122 - QD2 LEU 90 4.167% * 0.0229% (0.06 1.0 1.00 0.02 0.02) = 0.023% HG3 LYS+ 113 - QD2 LEU 90 4.167% * 0.0229% (0.06 1.0 1.00 0.02 0.33) = 0.023% HB ILE 101 - QG1 VAL 122 4.167% * 0.0225% (0.06 1.0 1.00 0.02 0.02) = 0.022% QD1 ILE 29 - QG1 VAL 122 4.167% * 0.0172% (0.04 1.0 1.00 0.02 0.02) = 0.017% QG1 VAL 94 - QG1 VAL 122 4.167% * 0.0077% (0.02 1.0 1.00 0.02 0.16) = 0.008% HG3 LYS+ 113 - QG1 VAL 122 4.167% * 0.0056% (0.01 1.0 1.00 0.02 0.02) = 0.006% QD2 LEU 17 - QG1 VAL 122 4.167% * 0.0039% (0.01 1.0 1.00 0.02 0.02) = 0.004% Peak 3390 (3.81, 0.85, 23.55 ppm): 14 chemical-shift based assignments, quality = 0.222, support = 0.693, residual support = 0.945: HD3 PRO 116 - QD2 LEU 90 7.143% * 71.9577% (0.23 0.91 1.26) = 71.958% kept HD3 PRO 112 - QD2 LEU 90 7.143% * 15.2359% (0.22 0.20 0.02) = 15.236% kept HA2 GLY 92 - QD2 LEU 90 7.143% * 4.9468% (0.18 0.08 0.67) = 4.947% kept HA GLU- 45 - QD2 LEU 90 7.143% * 1.7800% (0.26 0.02 0.02) = 1.780% kept HB3 SER 41 - QD2 LEU 90 7.143% * 1.7525% (0.26 0.02 0.02) = 1.753% kept HA ILE 48 - QD2 LEU 90 7.143% * 1.1977% (0.18 0.02 0.02) = 1.198% kept HA LYS+ 44 - QD2 LEU 90 7.143% * 0.7414% (0.11 0.02 0.02) = 0.741% HA GLU- 45 - QG1 VAL 122 7.143% * 0.4332% (0.06 0.02 0.02) = 0.433% HB3 SER 41 - QG1 VAL 122 7.143% * 0.4266% (0.06 0.02 0.02) = 0.427% HD3 PRO 116 - QG1 VAL 122 7.143% * 0.3834% (0.06 0.02 0.02) = 0.383% HD3 PRO 112 - QG1 VAL 122 7.143% * 0.3692% (0.05 0.02 0.02) = 0.369% HA2 GLY 92 - QG1 VAL 122 7.143% * 0.3036% (0.04 0.02 0.02) = 0.304% HA ILE 48 - QG1 VAL 122 7.143% * 0.2915% (0.04 0.02 0.02) = 0.292% HA LYS+ 44 - QG1 VAL 122 7.143% * 0.1805% (0.03 0.02 0.02) = 0.180% Peak 3391 (0.58, 0.29, 23.82 ppm): 2 chemical-shift based assignments, quality = 0.919, support = 2.96, residual support = 39.4: O QD1 LEU 23 - QD2 LEU 23 50.000% * 99.9798% (0.92 10.0 2.96 39.41) = 99.980% kept QD1 ILE 101 - QD2 LEU 23 50.000% * 0.0202% (0.19 1.0 0.02 0.56) = 0.020% Peak 3392 (2.17, 0.29, 23.82 ppm): 10 chemical-shift based assignments, quality = 0.699, support = 0.856, residual support = 1.6: HG2 GLN 102 - QD2 LEU 23 10.000% * 24.1951% (0.88 0.94 0.73) = 24.195% kept HB2 ASP- 82 - QD2 LEU 23 10.000% * 21.1122% (0.86 0.84 1.42) = 21.112% kept HG2 PRO 104 - QD2 LEU 23 10.000% * 18.8623% (0.83 0.77 0.12) = 18.862% kept HB VAL 99 - QD2 LEU 23 10.000% * 11.1291% (0.42 0.91 7.36) = 11.129% kept HA1 GLY 58 - QD2 LEU 23 10.000% * 10.4347% (0.26 1.36 2.50) = 10.435% kept HB3 PRO 104 - QD2 LEU 23 10.000% * 9.2716% (0.71 0.45 0.12) = 9.272% kept HG2 MET 126 - QD2 LEU 23 10.000% * 2.5437% (0.23 0.37 0.02) = 2.544% kept HG3 GLN 102 - QD2 LEU 23 10.000% * 2.0555% (0.13 0.56 0.73) = 2.056% kept HB3 GLU- 75 - QD2 LEU 23 10.000% * 0.2275% (0.39 0.02 0.02) = 0.227% HB3 LYS+ 78 - QD2 LEU 23 10.000% * 0.1682% (0.29 0.02 0.02) = 0.168% Peak 3393 (2.76, 0.29, 23.82 ppm): 6 chemical-shift based assignments, quality = 0.351, support = 1.86, residual support = 5.55: T HB3 ASP- 115 - QD2 LEU 23 16.667% * 70.0218% (0.16 10.00 2.15 7.02) = 70.022% kept HA1 GLY 58 - QD2 LEU 23 16.667% * 25.2836% (0.86 1.00 1.36 2.50) = 25.284% kept HE3 LYS+ 20 - QD2 LEU 23 16.667% * 3.1277% (0.49 1.00 0.30 0.02) = 3.128% kept HB3 ASN 57 - QD2 LEU 23 16.667% * 1.3201% (0.29 1.00 0.21 0.02) = 1.320% kept HB3 PHE 21 - QD2 LEU 23 16.667% * 0.1234% (0.29 1.00 0.02 0.35) = 0.123% HB2 ASN 119 - QD2 LEU 23 16.667% * 0.1234% (0.29 1.00 0.02 0.02) = 0.123% Peak 3394 (2.91, 0.29, 23.82 ppm): 4 chemical-shift based assignments, quality = 0.611, support = 1.1, residual support = 1.36: HA1 GLY 58 - QD2 LEU 23 25.000% * 37.7558% (0.63 1.36 2.50) = 37.756% kept HB2 HIS+ 98 - QD2 LEU 23 25.000% * 33.4836% (0.74 1.03 0.93) = 33.484% kept HE3 LYS+ 60 - QD2 LEU 23 25.000% * 18.8891% (0.45 0.95 0.50) = 18.889% kept HG3 MET 97 - QD2 LEU 23 25.000% * 9.8715% (0.38 0.59 0.10) = 9.872% kept Peak 3395 (3.26, 0.29, 23.82 ppm): 3 chemical-shift based assignments, quality = 0.314, support = 3.05, residual support = 39.0: HA LEU 23 - QD2 LEU 23 33.333% * 99.0062% (0.32 3.08 39.41) = 99.006% kept HE3 LYS+ 63 - QD2 LEU 23 33.333% * 0.5239% (0.26 0.02 0.02) = 0.524% HD3 ARG+ 53 - QD2 LEU 23 33.333% * 0.4699% (0.23 0.02 0.02) = 0.470% Peak 3396 (3.72, 0.29, 23.82 ppm): 3 chemical-shift based assignments, quality = 0.346, support = 0.19, residual support = 0.0795: HD3 PRO 104 - QD2 LEU 23 33.333% * 41.1512% (0.13 0.33 0.12) = 41.151% kept HA LEU 43 - QD2 LEU 23 33.333% * 40.6183% (0.32 0.13 0.02) = 40.618% kept HA ILE 48 - QD2 LEU 23 33.333% * 18.2305% (0.91 0.02 0.13) = 18.231% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3397 (3.85, 0.29, 23.82 ppm): 8 chemical-shift based assignments, quality = 0.474, support = 0.611, residual support = 0.941: HD3 PRO 116 - QD2 LEU 23 12.500% * 34.9520% (0.21 1.26 2.57) = 34.952% kept HA LYS+ 44 - QD2 LEU 23 12.500% * 29.3694% (0.52 0.42 0.12) = 29.369% kept HD3 PRO 86 - QD2 LEU 23 12.500% * 20.0160% (0.91 0.16 0.02) = 20.016% kept HB3 SER 88 - QD2 LEU 23 12.500% * 7.0331% (0.60 0.09 0.02) = 7.033% kept HB2 SER 85 - QD2 LEU 23 12.500% * 5.1093% (0.23 0.16 0.02) = 5.109% kept HA VAL 87 - QD2 LEU 23 12.500% * 1.3123% (0.49 0.02 0.02) = 1.312% kept HA ILE 48 - QD2 LEU 23 12.500% * 1.2719% (0.47 0.02 0.13) = 1.272% kept HA2 GLY 92 - QD2 LEU 23 12.500% * 0.9361% (0.35 0.02 0.02) = 0.936% Peak 3398 (4.35, 0.29, 23.82 ppm): 8 chemical-shift based assignments, quality = 0.592, support = 0.423, residual support = 0.117: HB THR 61 - QD2 LEU 23 12.500% * 35.8939% (0.86 0.37 0.02) = 35.894% kept HA2 GLY 26 - QD2 LEU 23 12.500% * 23.2002% (0.49 0.42 0.10) = 23.200% kept HA LYS+ 117 - QD2 LEU 23 12.500% * 18.6769% (0.60 0.27 0.02) = 18.677% kept HA LYS+ 60 - QD2 LEU 23 12.500% * 16.1412% (0.16 0.87 0.50) = 16.141% kept HA PRO 112 - QD2 LEU 23 12.500% * 1.8914% (0.14 0.12 0.02) = 1.891% kept HA1 GLY 26 - QD2 LEU 23 12.500% * 1.8345% (0.81 0.02 0.10) = 1.834% kept HA VAL 94 - QD2 LEU 23 12.500% * 1.8345% (0.81 0.02 0.02) = 1.834% kept HA THR 38 - QD2 LEU 23 12.500% * 0.5273% (0.23 0.02 0.02) = 0.527% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 3399 (7.33, 0.29, 23.82 ppm): 6 chemical-shift based assignments, quality = 0.854, support = 1.9, residual support = 12.0: HZ2 TRP 51 - QD2 LEU 23 16.667% * 54.8819% (0.93 2.89 21.60) = 54.882% kept HZ PHE 34 - QD2 LEU 23 16.667% * 17.2249% (0.93 0.91 0.16) = 17.225% kept HN ARG+ 84 - QD2 LEU 23 16.667% * 9.8725% (0.56 0.86 1.01) = 9.872% kept HN VAL 47 - QD2 LEU 23 16.667% * 6.9838% (0.60 0.57 0.02) = 6.984% kept QE PHE 34 - QD2 LEU 23 16.667% * 6.0282% (0.93 0.32 0.16) = 6.028% kept QD PHE 34 - QD2 LEU 23 16.667% * 5.0088% (0.67 0.36 0.16) = 5.009% kept Peak 3400 (7.20, 0.29, 23.82 ppm): 2 chemical-shift based assignments, quality = 0.856, support = 2.98, residual support = 21.6: HH2 TRP 51 - QD2 LEU 23 50.000% * 80.6067% (0.92 3.40 21.60) = 80.607% kept HN TRP 51 - QD2 LEU 23 50.000% * 19.3933% (0.60 1.25 21.60) = 19.393% kept Peak 3401 (6.74, 0.29, 23.82 ppm): 2 chemical-shift based assignments, quality = 0.876, support = 2.05, residual support = 15.3: HZ3 TRP 51 - QD2 LEU 23 50.000% * 69.9207% (0.88 2.48 21.60) = 69.921% kept QE TYR 83 - QD2 LEU 23 50.000% * 30.0793% (0.88 1.07 0.81) = 30.079% kept Peak 3402 (3.70, 3.71, 65.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3404 (2.22, 3.71, 65.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3405 (1.67, 3.71, 65.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3406 (0.86, 3.71, 65.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3407 (0.46, 3.71, 65.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3408 (-0.04, 3.71, 65.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3409 (2.22, 3.54, 65.47 ppm): 14 chemical-shift based assignments, quality = 0.105, support = 0.0508, residual support = 0.02: HA1 GLY 58 - HB3 SER 69 7.143% * 23.8189% (0.05 0.15 0.02) = 23.819% kept HG3 MET 118 - HB3 SER 69 7.143% * 8.6407% (0.15 0.02 0.02) = 8.641% kept HB3 PRO 52 - HB3 SER 69 7.143% * 8.4696% (0.14 0.02 0.02) = 8.470% kept HG3 GLU- 18 - HB3 SER 69 7.143% * 8.3388% (0.14 0.02 0.02) = 8.339% kept HG3 GLU- 107 - HB3 SER 69 7.143% * 8.1737% (0.14 0.02 0.02) = 8.174% kept HB2 GLU- 50 - HB3 SER 69 7.143% * 7.9763% (0.14 0.02 0.02) = 7.976% kept HG3 GLU- 75 - HB3 SER 69 7.143% * 7.2173% (0.12 0.02 0.02) = 7.217% kept HG3 GLU- 109 - HB3 SER 69 7.143% * 7.2173% (0.12 0.02 0.02) = 7.217% kept HG3 MET 126 - HB3 SER 69 7.143% * 6.6034% (0.11 0.02 0.02) = 6.603% kept HG2 GLU- 56 - HB3 SER 69 7.143% * 4.5460% (0.08 0.02 0.02) = 4.546% kept HG3 GLU- 54 - HB3 SER 69 7.143% * 3.5523% (0.06 0.02 0.02) = 3.552% kept HB2 LYS+ 113 - HB3 SER 69 7.143% * 2.4024% (0.04 0.02 0.02) = 2.402% kept HB VAL 80 - HB3 SER 69 7.143% * 1.7100% (0.03 0.02 0.02) = 1.710% kept HG2 MET 126 - HB3 SER 69 7.143% * 1.3332% (0.02 0.02 0.02) = 1.333% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3410 (1.67, 3.54, 65.47 ppm): 5 chemical-shift based assignments, quality = 0.104, support = 0.02, residual support = 0.02: HB3 MET 126 - HB3 SER 69 20.000% * 33.0137% (0.14 0.02 0.02) = 33.014% kept HD3 LYS+ 55 - HB3 SER 69 20.000% * 29.1507% (0.12 0.02 0.02) = 29.151% kept HG3 ARG+ 84 - HB3 SER 69 20.000% * 18.3615% (0.08 0.02 0.02) = 18.362% kept HB3 MET 97 - HB3 SER 69 20.000% * 10.7717% (0.05 0.02 0.02) = 10.772% kept HB3 ARG+ 22 - HB3 SER 69 20.000% * 8.7023% (0.04 0.02 0.02) = 8.702% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3411 (0.45, 3.54, 65.47 ppm): 3 chemical-shift based assignments, quality = 0.146, support = 1.18, residual support = 2.7: QG2 ILE 68 - HB3 SER 69 33.333% * 58.7889% (0.15 1.38 3.40) = 58.789% kept QD2 LEU 74 - HB3 SER 69 33.333% * 39.3765% (0.15 0.92 1.77) = 39.377% kept QD2 LEU 43 - HB3 SER 69 33.333% * 1.8346% (0.06 0.11 0.11) = 1.835% kept Not enough quality. Peak unassigned. Peak 3412 (-0.03, 3.54, 65.47 ppm): 1 chemical-shift based assignment, quality = 0.0329, support = 0.02, residual support = 1.77: QD1 LEU 74 - HB3 SER 69 100.000% *100.0000% (0.03 0.02 1.77) = 100.000% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3413 (0.91, 3.43, 65.93 ppm): 13 chemical-shift based assignments, quality = 0.118, support = 2.59, residual support = 8.73: QG1 VAL 47 - HA ILE 48 7.692% * 31.4355% (0.14 2.86 16.99) = 31.435% kept HG LEU 74 - HA ILE 48 7.692% * 31.3003% (0.10 4.05 5.19) = 31.300% kept HG13 ILE 68 - HA ILE 48 7.692% * 11.3726% (0.16 0.91 0.02) = 11.373% kept QG2 VAL 105 - HA ILE 48 7.692% * 7.0660% (0.13 0.67 0.02) = 7.066% kept QG2 VAL 47 - HA ILE 48 7.692% * 7.0401% (0.03 3.06 16.99) = 7.040% kept QD1 LEU 67 - HA ILE 48 7.692% * 5.9137% (0.15 0.50 9.52) = 5.914% kept QG2 VAL 73 - HA ILE 48 7.692% * 3.1339% (0.13 0.30 0.02) = 3.134% kept QG1 VAL 105 - HA ILE 48 7.692% * 2.2004% (0.04 0.67 0.02) = 2.200% kept QG2 VAL 87 - HA ILE 48 7.692% * 0.2427% (0.15 0.02 0.02) = 0.243% QG1 VAL 80 - HA ILE 48 7.692% * 0.1081% (0.07 0.02 0.02) = 0.108% QG1 VAL 122 - HA ILE 48 7.692% * 0.0731% (0.05 0.02 0.02) = 0.073% QD1 LEU 17 - HA ILE 48 7.692% * 0.0731% (0.05 0.02 0.02) = 0.073% QG2 VAL 125 - HA ILE 48 7.692% * 0.0406% (0.03 0.02 0.02) = 0.041% Peak 3414 (0.39, 3.43, 65.93 ppm): 3 chemical-shift based assignments, quality = 0.148, support = 4.17, residual support = 113.8: T QD1 ILE 48 - HA ILE 48 33.333% * 42.5895% (0.16 1.0 10.00 3.94 113.80) = 42.589% kept O HG12 ILE 48 - HA ILE 48 33.333% * 42.5895% (0.16 10.0 1.00 4.15 113.80) = 42.589% kept O HG13 ILE 48 - HA ILE 48 33.333% * 14.8211% (0.06 10.0 1.00 4.93 113.80) = 14.821% kept Peak 3415 (1.73, 3.43, 65.83 ppm): 6 chemical-shift based assignments, quality = 0.138, support = 5.76, residual support = 101.4: O T HB ILE 48 - HA ILE 48 16.667% * 88.9539% (0.14 10.0 10.00 6.26 113.80) = 88.954% kept HB3 GLU- 50 - HA ILE 48 16.667% * 9.3882% (0.14 1.0 1.00 2.11 1.18) = 9.388% kept T HB ILE 48 - HB2 SER 69 16.667% * 1.4713% (0.23 1.0 10.00 0.02 1.99) = 1.471% kept HB3 GLU- 50 - HB2 SER 69 16.667% * 0.1471% (0.23 1.0 1.00 0.02 0.02) = 0.147% HB VAL 94 - HB2 SER 69 16.667% * 0.0246% (0.04 1.0 1.00 0.02 0.12) = 0.025% HB VAL 94 - HA ILE 48 16.667% * 0.0149% (0.02 1.0 1.00 0.02 0.02) = 0.015% Peak 3416 (7.34, 1.13, 24.84 ppm): 6 chemical-shift based assignments, quality = 0.64, support = 2.75, residual support = 14.8: HZ PHE 34 - HG3 LYS+ 32 16.667% * 35.7702% (0.71 3.52 17.88) = 35.770% kept QE PHE 34 - HG3 LYS+ 32 16.667% * 27.5981% (0.71 2.71 17.88) = 27.598% kept QD PHE 34 - HG3 LYS+ 32 16.667% * 19.1790% (0.46 2.89 17.88) = 19.179% kept HZ2 TRP 51 - HG3 LYS+ 32 16.667% * 10.1188% (0.71 0.99 0.26) = 10.119% kept HN VAL 47 - HG3 LYS+ 32 16.667% * 7.2259% (0.41 1.24 0.10) = 7.226% kept HN ARG+ 84 - HG3 LYS+ 32 16.667% * 0.1080% (0.38 0.02 0.02) = 0.108% Peak 3417 (8.23, 1.13, 24.84 ppm): 9 chemical-shift based assignments, quality = 0.67, support = 0.935, residual support = 0.762: HN SER 49 - HG3 LYS+ 32 11.111% * 46.7018% (0.70 1.36 0.87) = 46.702% kept HN LYS+ 81 - HG3 LYS+ 32 11.111% * 27.6079% (0.69 0.81 0.83) = 27.608% kept HN GLY 58 - HG3 LYS+ 32 11.111% * 14.0667% (0.71 0.40 0.88) = 14.067% kept HN THR 106 - HG3 LYS+ 32 11.111% * 4.5502% (0.32 0.29 0.02) = 4.550% kept HN LEU 67 - HG3 LYS+ 32 11.111% * 3.7614% (0.69 0.11 0.02) = 3.761% kept HN VAL 105 - HG3 LYS+ 32 11.111% * 1.4568% (0.35 0.09 0.02) = 1.457% kept HN VAL 94 - HG3 LYS+ 32 11.111% * 1.3964% (0.38 0.08 0.02) = 1.396% kept HN ASP- 115 - HG3 LYS+ 32 11.111% * 0.2635% (0.27 0.02 0.02) = 0.264% HN GLU- 45 - HG3 LYS+ 32 11.111% * 0.1952% (0.20 0.02 0.02) = 0.195% Peak 3418 (7.97, 1.48, 24.80 ppm): 2 chemical-shift based assignments, quality = 0.187, support = 4.82, residual support = 34.6: HN LYS+ 72 - HG3 LYS+ 72 50.000% * 99.6601% (0.19 4.83 34.75) = 99.660% kept HN LEU 43 - HG3 LYS+ 72 50.000% * 0.3399% (0.15 0.02 0.02) = 0.340% Peak 3419 (8.14, 0.90, 24.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3420 (7.60, 0.90, 24.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3421 (7.07, 0.90, 24.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3422 (3.17, 0.82, 25.69 ppm): 15 chemical-shift based assignments, quality = 0.903, support = 1.16, residual support = 0.126: HD3 ARG+ 84 - QD2 LEU 17 6.667% * 87.9332% (0.98 1.29 0.11) = 87.933% kept HA1 GLY 58 - QD2 LEU 17 6.667% * 5.8956% (0.21 0.41 0.36) = 5.896% kept HD3 PRO 35 - QD2 LEU 17 6.667% * 4.0566% (0.41 0.14 0.17) = 4.057% kept HB3 PHE 34 - QD2 LEU 17 6.667% * 1.3172% (0.95 0.02 0.02) = 1.317% kept HD2 ARG+ 53 - QD2 LEU 17 6.667% * 0.3872% (0.28 0.02 0.02) = 0.387% HD3 ARG+ 84 - HG2 LYS+ 117 6.667% * 0.0819% (0.06 0.02 0.02) = 0.082% HB3 PHE 34 - HG2 LYS+ 117 6.667% * 0.0790% (0.06 0.02 0.02) = 0.079% HD3 ARG+ 84 - HG3 LYS+ 117 6.667% * 0.0607% (0.04 0.02 0.02) = 0.061% HB3 PHE 34 - HG3 LYS+ 117 6.667% * 0.0585% (0.04 0.02 0.02) = 0.059% HD3 PRO 35 - HG2 LYS+ 117 6.667% * 0.0343% (0.02 0.02 0.02) = 0.034% HD3 PRO 35 - HG3 LYS+ 117 6.667% * 0.0254% (0.02 0.02 0.02) = 0.025% HD2 ARG+ 53 - HG2 LYS+ 117 6.667% * 0.0232% (0.02 0.02 0.02) = 0.023% HD2 ARG+ 53 - HG3 LYS+ 117 6.667% * 0.0172% (0.01 0.02 0.02) = 0.017% HA1 GLY 58 - HG2 LYS+ 117 6.667% * 0.0172% (0.01 0.02 0.02) = 0.017% HA1 GLY 58 - HG3 LYS+ 117 6.667% * 0.0127% (0.01 0.02 0.02) = 0.013% Peak 3423 (3.98, 0.82, 25.69 ppm): 18 chemical-shift based assignments, quality = 0.756, support = 0.144, residual support = 0.0195: HA1 GLY 92 - QD2 LEU 17 5.556% * 35.7128% (0.95 0.14 0.02) = 35.713% kept HA ALA 93 - QD2 LEU 17 5.556% * 26.4017% (0.38 0.27 0.02) = 26.402% kept HB THR 95 - QD2 LEU 17 5.556% * 21.0433% (0.95 0.08 0.02) = 21.043% kept HA LYS+ 44 - QD2 LEU 17 5.556% * 5.2491% (1.00 0.02 0.02) = 5.249% kept HB3 SER 77 - QD2 LEU 17 5.556% * 5.2389% (1.00 0.02 0.02) = 5.239% kept HB THR 39 - QD2 LEU 17 5.556% * 2.7630% (0.53 0.02 0.02) = 2.763% kept HA1 GLY 92 - HG2 LYS+ 117 5.556% * 1.2620% (0.06 0.08 0.02) = 1.262% kept HA LYS+ 44 - HG2 LYS+ 117 5.556% * 0.3149% (0.06 0.02 0.02) = 0.315% HB3 SER 77 - HG2 LYS+ 117 5.556% * 0.3143% (0.06 0.02 0.02) = 0.314% HB THR 95 - HG2 LYS+ 117 5.556% * 0.2980% (0.06 0.02 0.02) = 0.298% HA LYS+ 44 - HG3 LYS+ 117 5.556% * 0.2333% (0.04 0.02 0.02) = 0.233% HB3 SER 77 - HG3 LYS+ 117 5.556% * 0.2328% (0.04 0.02 0.02) = 0.233% HB THR 95 - HG3 LYS+ 117 5.556% * 0.2208% (0.04 0.02 0.02) = 0.221% HA1 GLY 92 - HG3 LYS+ 117 5.556% * 0.2208% (0.04 0.02 0.02) = 0.221% HB THR 39 - HG2 LYS+ 117 5.556% * 0.1657% (0.03 0.02 1.20) = 0.166% HB THR 39 - HG3 LYS+ 117 5.556% * 0.1228% (0.02 0.02 1.20) = 0.123% HA ALA 93 - HG2 LYS+ 117 5.556% * 0.1182% (0.02 0.02 0.02) = 0.118% HA ALA 93 - HG3 LYS+ 117 5.556% * 0.0876% (0.02 0.02 0.02) = 0.088% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3424 (4.29, 0.82, 25.69 ppm): 33 chemical-shift based assignments, quality = 0.767, support = 1.05, residual support = 2.18: HA LEU 90 - QD2 LEU 17 3.030% * 45.5504% (0.97 1.42 2.00) = 45.550% kept HA PRO 104 - QD2 LEU 17 3.030% * 21.3344% (0.87 0.74 0.61) = 21.334% kept HA ILE 29 - QD2 LEU 17 3.030% * 18.4273% (0.57 0.98 6.02) = 18.427% kept HA ARG+ 84 - QD2 LEU 17 3.030% * 5.6782% (0.28 0.61 0.11) = 5.678% kept HA SER 85 - QD2 LEU 17 3.030% * 3.4556% (0.38 0.28 0.02) = 3.456% kept HA ALA 91 - QD2 LEU 17 3.030% * 2.0893% (0.41 0.15 0.02) = 2.089% kept HA LEU 90 - HG3 LYS+ 117 3.030% * 1.6112% (0.04 1.13 1.26) = 1.611% kept HA THR 106 - QD2 LEU 17 3.030% * 0.5768% (0.87 0.02 0.02) = 0.577% HD3 PRO 59 - QD2 LEU 17 3.030% * 0.2496% (0.38 0.02 0.02) = 0.250% HA PRO 52 - QD2 LEU 17 3.030% * 0.2496% (0.38 0.02 0.02) = 0.250% HA VAL 65 - QD2 LEU 17 3.030% * 0.2052% (0.31 0.02 0.02) = 0.205% HA PRO 112 - QD2 LEU 17 3.030% * 0.2052% (0.31 0.02 0.02) = 0.205% HA LEU 90 - HG2 LYS+ 117 3.030% * 0.0385% (0.06 0.02 1.26) = 0.038% HA PRO 104 - HG2 LYS+ 117 3.030% * 0.0346% (0.05 0.02 0.02) = 0.035% HA THR 106 - HG2 LYS+ 117 3.030% * 0.0346% (0.05 0.02 0.02) = 0.035% HA PRO 104 - HG3 LYS+ 117 3.030% * 0.0256% (0.04 0.02 0.02) = 0.026% HA THR 106 - HG3 LYS+ 117 3.030% * 0.0256% (0.04 0.02 0.02) = 0.026% HA ILE 29 - HG2 LYS+ 117 3.030% * 0.0226% (0.03 0.02 0.23) = 0.023% HA ILE 29 - HG3 LYS+ 117 3.030% * 0.0167% (0.03 0.02 0.23) = 0.017% HA ALA 91 - HG2 LYS+ 117 3.030% * 0.0164% (0.02 0.02 0.32) = 0.016% HD3 PRO 59 - HG2 LYS+ 117 3.030% * 0.0150% (0.02 0.02 0.02) = 0.015% HA SER 85 - HG2 LYS+ 117 3.030% * 0.0150% (0.02 0.02 0.02) = 0.015% HA PRO 52 - HG2 LYS+ 117 3.030% * 0.0150% (0.02 0.02 0.02) = 0.015% HA VAL 65 - HG2 LYS+ 117 3.030% * 0.0123% (0.02 0.02 0.02) = 0.012% HA PRO 112 - HG2 LYS+ 117 3.030% * 0.0123% (0.02 0.02 0.02) = 0.012% HA ALA 91 - HG3 LYS+ 117 3.030% * 0.0121% (0.02 0.02 0.32) = 0.012% HA PRO 52 - HG3 LYS+ 117 3.030% * 0.0111% (0.02 0.02 0.02) = 0.011% HA SER 85 - HG3 LYS+ 117 3.030% * 0.0111% (0.02 0.02 0.02) = 0.011% HD3 PRO 59 - HG3 LYS+ 117 3.030% * 0.0111% (0.02 0.02 0.02) = 0.011% HA ARG+ 84 - HG2 LYS+ 117 3.030% * 0.0111% (0.02 0.02 0.02) = 0.011% HA VAL 65 - HG3 LYS+ 117 3.030% * 0.0091% (0.01 0.02 0.02) = 0.009% HA PRO 112 - HG3 LYS+ 117 3.030% * 0.0091% (0.01 0.02 0.02) = 0.009% HA ARG+ 84 - HG3 LYS+ 117 3.030% * 0.0082% (0.01 0.02 0.02) = 0.008% Peak 3425 (4.54, 0.82, 25.69 ppm): 18 chemical-shift based assignments, quality = 0.795, support = 2.78, residual support = 19.1: HA LEU 17 - QD2 LEU 17 5.556% * 81.1902% (0.76 3.34 23.57) = 81.190% kept HA ALA 103 - QD2 LEU 17 5.556% * 14.6044% (1.00 0.46 0.02) = 14.604% kept HA LYS+ 78 - QD2 LEU 17 5.556% * 3.3036% (0.87 0.12 0.02) = 3.304% kept HA THR 79 - QD2 LEU 17 5.556% * 0.4619% (0.73 0.02 0.02) = 0.462% HA LYS+ 55 - QD2 LEU 17 5.556% * 0.0981% (0.15 0.02 0.02) = 0.098% HB THR 46 - QD2 LEU 17 5.556% * 0.0981% (0.15 0.02 0.02) = 0.098% HA ALA 103 - HG2 LYS+ 117 5.556% * 0.0382% (0.06 0.02 0.02) = 0.038% HA LYS+ 78 - HG2 LYS+ 117 5.556% * 0.0331% (0.05 0.02 0.02) = 0.033% HA LEU 17 - HG2 LYS+ 117 5.556% * 0.0292% (0.05 0.02 0.02) = 0.029% HA ALA 103 - HG3 LYS+ 117 5.556% * 0.0283% (0.04 0.02 0.02) = 0.028% HA THR 79 - HG2 LYS+ 117 5.556% * 0.0277% (0.04 0.02 0.02) = 0.028% HA LYS+ 78 - HG3 LYS+ 117 5.556% * 0.0245% (0.04 0.02 0.02) = 0.025% HA LEU 17 - HG3 LYS+ 117 5.556% * 0.0216% (0.03 0.02 0.02) = 0.022% HA THR 79 - HG3 LYS+ 117 5.556% * 0.0205% (0.03 0.02 0.02) = 0.021% HB THR 46 - HG2 LYS+ 117 5.556% * 0.0059% (0.01 0.02 0.02) = 0.006% HA LYS+ 55 - HG2 LYS+ 117 5.556% * 0.0059% (0.01 0.02 0.02) = 0.006% HB THR 46 - HG3 LYS+ 117 5.556% * 0.0044% (0.01 0.02 0.02) = 0.004% HA LYS+ 55 - HG3 LYS+ 117 5.556% * 0.0044% (0.01 0.02 0.02) = 0.004% Peak 3426 (1.59, 0.82, 25.69 ppm): 30 chemical-shift based assignments, quality = 0.599, support = 3.02, residual support = 23.5: O HB3 LEU 17 - QD2 LEU 17 3.333% * 69.8420% (0.73 10.0 1.00 3.01 23.57) = 69.842% kept O T HG LEU 17 - QD2 LEU 17 3.333% * 29.6862% (0.31 10.0 10.00 3.10 23.57) = 29.686% kept HB3 LYS+ 32 - QD2 LEU 17 3.333% * 0.0928% (0.97 1.0 1.00 0.02 0.02) = 0.093% HD3 LYS+ 32 - QD2 LEU 17 3.333% * 0.0803% (0.84 1.0 1.00 0.02 0.02) = 0.080% HG3 LYS+ 110 - QD2 LEU 17 3.333% * 0.0545% (0.57 1.0 1.00 0.02 0.02) = 0.054% HG2 LYS+ 110 - QD2 LEU 17 3.333% * 0.0506% (0.53 1.0 1.00 0.02 0.02) = 0.051% HG3 LYS+ 60 - QD2 LEU 17 3.333% * 0.0361% (0.38 1.0 1.00 0.02 0.02) = 0.036% HB ILE 19 - QD2 LEU 17 3.333% * 0.0328% (0.34 1.0 1.00 0.02 0.02) = 0.033% HD3 LYS+ 60 - QD2 LEU 17 3.333% * 0.0240% (0.25 1.0 1.00 0.02 0.02) = 0.024% HG3 LYS+ 78 - QD2 LEU 17 3.333% * 0.0214% (0.22 1.0 1.00 0.02 0.02) = 0.021% T HG LEU 17 - HG2 LYS+ 117 3.333% * 0.0178% (0.02 1.0 10.00 0.02 0.02) = 0.018% T HG LEU 17 - HG3 LYS+ 117 3.333% * 0.0132% (0.01 1.0 10.00 0.02 0.02) = 0.013% HB3 LYS+ 32 - HG2 LYS+ 117 3.333% * 0.0056% (0.06 1.0 1.00 0.02 0.02) = 0.006% HD3 LYS+ 32 - HG2 LYS+ 117 3.333% * 0.0048% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB3 LEU 17 - HG2 LYS+ 117 3.333% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 LYS+ 32 - HG3 LYS+ 117 3.333% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% HD3 LYS+ 32 - HG3 LYS+ 117 3.333% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG3 LYS+ 110 - HG2 LYS+ 117 3.333% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 LEU 17 - HG3 LYS+ 117 3.333% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG2 LYS+ 110 - HG2 LYS+ 117 3.333% * 0.0030% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG3 LYS+ 110 - HG3 LYS+ 117 3.333% * 0.0024% (0.03 1.0 1.00 0.02 0.02) = 0.002% HG2 LYS+ 110 - HG3 LYS+ 117 3.333% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG3 LYS+ 60 - HG2 LYS+ 117 3.333% * 0.0022% (0.02 1.0 1.00 0.02 0.29) = 0.002% HB ILE 19 - HG2 LYS+ 117 3.333% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG3 LYS+ 60 - HG3 LYS+ 117 3.333% * 0.0016% (0.02 1.0 1.00 0.02 0.29) = 0.002% HB ILE 19 - HG3 LYS+ 117 3.333% * 0.0015% (0.02 1.0 1.00 0.02 0.02) = 0.001% HD3 LYS+ 60 - HG2 LYS+ 117 3.333% * 0.0014% (0.01 1.0 1.00 0.02 0.29) = 0.001% HG3 LYS+ 78 - HG2 LYS+ 117 3.333% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% HD3 LYS+ 60 - HG3 LYS+ 117 3.333% * 0.0011% (0.01 1.0 1.00 0.02 0.29) = 0.001% HG3 LYS+ 78 - HG3 LYS+ 117 3.333% * 0.0010% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 3427 (1.68, 0.82, 25.69 ppm): 9 chemical-shift based assignments, quality = 0.701, support = 0.0198, residual support = 0.0281: HD3 LYS+ 55 - QD2 LEU 17 11.111% * 51.8018% (0.99 0.02 0.02) = 51.802% kept HB3 MET 126 - QD2 LEU 17 11.111% * 29.5897% (0.57 0.02 0.02) = 29.590% kept HG3 ARG+ 84 - QD2 LEU 17 11.111% * 9.1531% (0.18 0.02 0.11) = 9.153% kept HD3 LYS+ 55 - HG2 LYS+ 117 11.111% * 3.1075% (0.06 0.02 0.02) = 3.107% kept HD3 LYS+ 55 - HG3 LYS+ 117 11.111% * 2.3021% (0.04 0.02 0.02) = 2.302% kept HB3 MET 126 - HG2 LYS+ 117 11.111% * 1.7750% (0.03 0.02 0.02) = 1.775% kept HB3 MET 126 - HG3 LYS+ 117 11.111% * 1.3150% (0.03 0.02 0.02) = 1.315% kept HG3 ARG+ 84 - HG2 LYS+ 117 11.111% * 0.5491% (0.01 0.02 0.02) = 0.549% HG3 ARG+ 84 - HG3 LYS+ 117 11.111% * 0.4068% (0.01 0.02 0.02) = 0.407% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3428 (1.37, 0.82, 25.69 ppm): 27 chemical-shift based assignments, quality = 0.291, support = 3.56, residual support = 18.1: O HB2 LEU 17 - QD2 LEU 17 3.704% * 76.8598% (0.18 10.0 4.47 23.57) = 76.860% kept QB ALA 91 - QD2 LEU 17 3.704% * 10.0085% (0.87 1.0 0.53 0.02) = 10.009% kept HG LEU 74 - QD2 LEU 17 3.704% * 8.8606% (0.51 1.0 0.79 0.30) = 8.861% kept HG2 LYS+ 78 - QD2 LEU 17 3.704% * 2.5359% (0.97 1.0 0.12 0.02) = 2.536% kept HB3 LYS+ 20 - QD2 LEU 17 3.704% * 0.4051% (0.92 1.0 0.02 0.02) = 0.405% QG2 THR 39 - QD2 LEU 17 3.704% * 0.3666% (0.84 1.0 0.02 0.02) = 0.367% HG3 ARG+ 22 - QD2 LEU 17 3.704% * 0.3015% (0.69 1.0 0.02 0.10) = 0.301% HG13 ILE 19 - QD2 LEU 17 3.704% * 0.2839% (0.65 1.0 0.02 0.02) = 0.284% HD3 LYS+ 20 - QD2 LEU 17 3.704% * 0.1094% (0.25 1.0 0.02 0.02) = 0.109% HG2 LYS+ 78 - HG2 LYS+ 117 3.704% * 0.0254% (0.06 1.0 0.02 0.02) = 0.025% HB3 LYS+ 20 - HG2 LYS+ 117 3.704% * 0.0243% (0.06 1.0 0.02 0.55) = 0.024% QB ALA 91 - HG2 LYS+ 117 3.704% * 0.0228% (0.05 1.0 0.02 0.32) = 0.023% QG2 THR 39 - HG2 LYS+ 117 3.704% * 0.0220% (0.05 1.0 0.02 1.20) = 0.022% HG2 LYS+ 78 - HG3 LYS+ 117 3.704% * 0.0188% (0.04 1.0 0.02 0.02) = 0.019% HG3 ARG+ 22 - HG2 LYS+ 117 3.704% * 0.0181% (0.04 1.0 0.02 0.02) = 0.018% HB3 LYS+ 20 - HG3 LYS+ 117 3.704% * 0.0180% (0.04 1.0 0.02 0.55) = 0.018% HG13 ILE 19 - HG2 LYS+ 117 3.704% * 0.0170% (0.04 1.0 0.02 0.02) = 0.017% QB ALA 91 - HG3 LYS+ 117 3.704% * 0.0169% (0.04 1.0 0.02 0.32) = 0.017% QG2 THR 39 - HG3 LYS+ 117 3.704% * 0.0163% (0.04 1.0 0.02 1.20) = 0.016% HG LEU 74 - HG2 LYS+ 117 3.704% * 0.0135% (0.03 1.0 0.02 0.02) = 0.014% HG3 ARG+ 22 - HG3 LYS+ 117 3.704% * 0.0134% (0.03 1.0 0.02 0.02) = 0.013% HG13 ILE 19 - HG3 LYS+ 117 3.704% * 0.0126% (0.03 1.0 0.02 0.02) = 0.013% HG LEU 74 - HG3 LYS+ 117 3.704% * 0.0100% (0.02 1.0 0.02 0.02) = 0.010% HD3 LYS+ 20 - HG2 LYS+ 117 3.704% * 0.0066% (0.01 1.0 0.02 0.55) = 0.007% HD3 LYS+ 20 - HG3 LYS+ 117 3.704% * 0.0049% (0.01 1.0 0.02 0.55) = 0.005% HB2 LEU 17 - HG2 LYS+ 117 3.704% * 0.0046% (0.01 1.0 0.02 0.02) = 0.005% HB2 LEU 17 - HG3 LYS+ 117 3.704% * 0.0034% (0.01 1.0 0.02 0.02) = 0.003% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3431 (3.70, 1.29, 24.93 ppm): 4 chemical-shift based assignments, quality = 0.593, support = 1.14, residual support = 1.84: HA ILE 48 - HG2 LYS+ 32 25.000% * 78.4765% (0.66 1.32 2.15) = 78.477% kept HA LYS+ 81 - HG2 LYS+ 32 25.000% * 17.5242% (0.32 0.60 0.83) = 17.524% kept HD2 PRO 52 - HG2 LYS+ 32 25.000% * 3.5912% (0.46 0.09 0.02) = 3.591% kept HA SER 27 - HG2 LYS+ 32 25.000% * 0.4081% (0.23 0.02 0.02) = 0.408% Peak 3432 (4.99, 1.77, 25.40 ppm): 2 chemical-shift based assignments, quality = 0.399, support = 1.16, residual support = 3.81: HA ILE 68 - HG2 PRO 31 50.000% * 84.9214% (0.44 1.27 4.46) = 84.921% kept HA PHE 34 - HG2 PRO 31 50.000% * 15.0786% (0.19 0.51 0.11) = 15.079% kept Peak 3433 (4.99, 1.94, 25.37 ppm): 2 chemical-shift based assignments, quality = 0.467, support = 1.57, residual support = 3.81: HA ILE 68 - HG3 PRO 31 50.000% * 84.9697% (0.51 1.72 4.46) = 84.970% kept HA PHE 34 - HG3 PRO 31 50.000% * 15.0303% (0.23 0.68 0.11) = 15.030% kept Peak 3434 (1.78, 1.94, 25.25 ppm): 13 chemical-shift based assignments, quality = 0.326, support = 3.14, residual support = 21.8: O T HG2 PRO 31 - HG3 PRO 31 7.692% * 99.2310% (0.33 10.0 10.00 3.16 21.97) = 99.231% kept HB3 PRO 116 - HG3 PRO 31 7.692% * 0.0999% (0.33 1.0 1.00 0.02 0.02) = 0.100% HB3 LYS+ 63 - HG3 PRO 31 7.692% * 0.0924% (0.31 1.0 1.00 0.02 0.02) = 0.092% HB3 GLU- 18 - HG3 PRO 31 7.692% * 0.0802% (0.27 1.0 1.00 0.02 0.13) = 0.080% HB3 ARG+ 53 - HG3 PRO 31 7.692% * 0.0802% (0.27 1.0 1.00 0.02 0.02) = 0.080% HB2 LYS+ 117 - HG3 PRO 31 7.692% * 0.0765% (0.25 1.0 1.00 0.02 0.02) = 0.077% HB3 LYS+ 113 - HG3 PRO 31 7.692% * 0.0765% (0.25 1.0 1.00 0.02 0.02) = 0.077% HB3 LYS+ 108 - HG3 PRO 31 7.692% * 0.0727% (0.24 1.0 1.00 0.02 0.02) = 0.073% HB3 LYS+ 117 - HG3 PRO 31 7.692% * 0.0688% (0.23 1.0 1.00 0.02 0.02) = 0.069% HB3 LYS+ 44 - HG3 PRO 31 7.692% * 0.0567% (0.19 1.0 1.00 0.02 0.49) = 0.057% HB2 ARG+ 84 - HG3 PRO 31 7.692% * 0.0278% (0.09 1.0 1.00 0.02 0.02) = 0.028% HB VAL 94 - HG3 PRO 31 7.692% * 0.0198% (0.07 1.0 1.00 0.02 0.02) = 0.020% HB2 GLU- 109 - HG3 PRO 31 7.692% * 0.0175% (0.06 1.0 1.00 0.02 0.02) = 0.018% Peak 3435 (2.11, 1.62, 25.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3436 (3.43, 1.62, 25.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3437 (4.98, 0.45, 25.58 ppm): 1 chemical-shift based assignment, quality = 0.307, support = 1.75, residual support = 9.35: HA ILE 68 - QD2 LEU 74 100.000% *100.0000% (0.31 1.75 9.35) = 100.000% kept Peak 3438 (4.19, 0.45, 25.58 ppm): 9 chemical-shift based assignments, quality = 0.538, support = 2.03, residual support = 7.39: HA VAL 73 - QD2 LEU 74 11.111% * 60.0111% (0.44 3.11 11.82) = 60.011% kept HA GLU- 64 - QD2 LEU 74 11.111% * 18.4700% (0.90 0.47 0.11) = 18.470% kept HA ASP- 82 - QD2 LEU 74 11.111% * 10.9299% (0.81 0.31 0.02) = 10.930% kept HA LYS+ 44 - QD2 LEU 74 11.111% * 6.3978% (0.24 0.60 4.29) = 6.398% kept HA ALA 42 - QD2 LEU 74 11.111% * 1.4294% (0.18 0.18 0.12) = 1.429% kept HB3 SER 49 - QD2 LEU 74 11.111% * 1.3593% (0.22 0.14 0.02) = 1.359% kept HA MET 126 - QD2 LEU 74 11.111% * 0.7120% (0.81 0.02 1.13) = 0.712% HA GLU- 109 - QD2 LEU 74 11.111% * 0.5136% (0.58 0.02 0.02) = 0.514% HA LYS+ 110 - QD2 LEU 74 11.111% * 0.1768% (0.20 0.02 1.01) = 0.177% Peak 3439 (3.94, 0.45, 25.58 ppm): 9 chemical-shift based assignments, quality = 0.627, support = 2.27, residual support = 38.2: HA LEU 74 - QD2 LEU 74 11.111% * 57.2695% (0.55 3.63 64.26) = 57.270% kept HA LYS+ 44 - QD2 LEU 74 11.111% * 14.8446% (0.85 0.60 4.29) = 14.845% kept HA1 GLY 114 - QD2 LEU 74 11.111% * 11.5226% (0.85 0.47 0.02) = 11.523% kept HA VAL 122 - QD2 LEU 74 11.111% * 6.6653% (0.75 0.31 5.46) = 6.665% kept HB3 CYS 121 - QD2 LEU 74 11.111% * 5.6017% (0.65 0.30 5.25) = 5.602% kept HA ILE 48 - QD2 LEU 74 11.111% * 2.3985% (0.16 0.51 5.19) = 2.398% kept HA ALA 93 - QD2 LEU 74 11.111% * 0.9963% (0.40 0.09 0.02) = 0.996% HB3 SER 77 - QD2 LEU 74 11.111% * 0.4278% (0.74 0.02 0.02) = 0.428% HB THR 96 - QD2 LEU 74 11.111% * 0.2738% (0.47 0.02 0.91) = 0.274% Peak 3440 (2.28, 0.45, 25.58 ppm): 4 chemical-shift based assignments, quality = 0.389, support = 0.595, residual support = 0.281: HA1 GLY 58 - QD2 LEU 74 25.000% * 79.2568% (0.42 0.69 0.33) = 79.257% kept HG3 GLU- 64 - QD2 LEU 74 25.000% * 17.1254% (0.22 0.28 0.11) = 17.125% kept HB2 PRO 86 - QD2 LEU 74 25.000% * 2.7630% (0.51 0.02 0.13) = 2.763% kept HB VAL 80 - QD2 LEU 74 25.000% * 0.8547% (0.16 0.02 0.56) = 0.855% Peak 3441 (7.97, 3.44, 66.51 ppm): 2 chemical-shift based assignments, quality = 0.586, support = 0.801, residual support = 1.07: HN LEU 43 - HA VAL 62 50.000% * 59.6023% (0.51 1.01 0.62) = 59.602% kept HN LYS+ 72 - HA VAL 62 50.000% * 40.3977% (0.70 0.50 1.73) = 40.398% kept Peak 3442 (7.88, 3.44, 66.51 ppm): 4 chemical-shift based assignments, quality = 0.91, support = 0.515, residual support = 0.833: HN LYS+ 44 - HA VAL 62 25.000% * 82.5886% (0.91 0.61 1.00) = 82.589% kept HN LEU 90 - HA VAL 62 25.000% * 13.8062% (0.97 0.10 0.02) = 13.806% kept HD22 ASN 89 - HA VAL 62 25.000% * 1.9763% (0.66 0.02 0.02) = 1.976% kept HN THR 38 - HA VAL 62 25.000% * 1.6289% (0.55 0.02 0.02) = 1.629% kept Peak 3443 (7.06, 3.45, 67.59 ppm): 2 chemical-shift based assignments, quality = 0.554, support = 1.04, residual support = 2.29: T QD TYR 83 - HA VAL 80 50.000% * 99.9315% (0.55 10.00 1.04 2.29) = 99.932% kept QE PHE 21 - HA VAL 80 50.000% * 0.0685% (0.20 1.00 0.02 0.02) = 0.068% Peak 3444 (7.66, 3.45, 67.59 ppm): 2 chemical-shift based assignments, quality = 0.634, support = 0.745, residual support = 2.28: HN TYR 83 - HA VAL 80 50.000% * 99.3380% (0.64 0.75 2.29) = 99.338% kept HD21 ASN 89 - HA VAL 80 50.000% * 0.6620% (0.16 0.02 0.02) = 0.662% Peak 3445 (8.58, 3.45, 67.59 ppm): 4 chemical-shift based assignments, quality = 0.605, support = 2.74, residual support = 11.3: O HN VAL 80 - HA VAL 80 25.000% * 96.9316% (0.61 10.0 2.82 11.62) = 96.932% kept HN VAL 73 - HA VAL 80 25.000% * 1.8304% (0.64 1.0 0.36 0.02) = 1.830% kept HN THR 39 - HA VAL 80 25.000% * 1.2030% (0.59 1.0 0.25 0.18) = 1.203% kept HN LYS+ 20 - HA VAL 80 25.000% * 0.0350% (0.22 1.0 0.02 0.02) = 0.035% Peak 3446 (6.88, 3.08, 67.44 ppm): 3 chemical-shift based assignments, quality = 0.222, support = 0.487, residual support = 0.194: HZ PHE 21 - HA VAL 47 33.333% * 83.8932% (0.17 0.58 0.21) = 83.893% kept HD21 ASN 119 - HA VAL 47 33.333% * 8.4557% (0.50 0.02 0.02) = 8.456% kept QD PHE 21 - HA VAL 47 33.333% * 7.6511% (0.45 0.02 0.21) = 7.651% kept Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 3447 (8.36, 3.08, 67.44 ppm): 5 chemical-shift based assignments, quality = 0.397, support = 0.271, residual support = 0.254: HN ALA 103 - HA VAL 47 20.000% * 62.4410% (0.39 0.37 0.39) = 62.441% kept HN LYS+ 108 - HA VAL 47 20.000% * 24.0102% (0.49 0.11 0.02) = 24.010% kept HN GLU- 50 - HA VAL 47 20.000% * 6.3139% (0.10 0.15 0.02) = 6.314% kept HN GLY 71 - HA VAL 47 20.000% * 4.2266% (0.49 0.02 0.02) = 4.227% kept HN GLU- 109 - HA VAL 47 20.000% * 3.0083% (0.35 0.02 0.02) = 3.008% kept Not enough total support, support cutoff is 0.50 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3452 (4.77, 1.41, 25.08 ppm): 5 chemical-shift based assignments, quality = 0.646, support = 0.832, residual support = 0.0965: HA ASP- 115 - HG3 LYS+ 108 20.000% * 55.1826% (0.77 1.09 0.02) = 55.183% kept HA PRO 116 - HG3 LYS+ 108 20.000% * 20.8082% (0.68 0.47 0.30) = 20.808% kept HA MET 118 - HG3 LYS+ 108 20.000% * 14.3353% (0.28 0.79 0.15) = 14.335% kept HA VAL 40 - HG3 LYS+ 108 20.000% * 6.0473% (0.34 0.27 0.02) = 6.047% kept HA LYS+ 113 - HG3 LYS+ 108 20.000% * 3.6266% (0.50 0.11 0.02) = 3.627% kept Peak 3453 (8.23, 1.27, 24.84 ppm): 9 chemical-shift based assignments, quality = 0.66, support = 1.28, residual support = 0.709: HN SER 49 - HG2 LYS+ 32 11.111% * 29.6278% (0.71 1.57 0.87) = 29.628% kept HN GLY 58 - HG2 LYS+ 32 11.111% * 26.3041% (0.72 1.37 0.88) = 26.304% kept HN LYS+ 81 - HG2 LYS+ 32 11.111% * 26.0442% (0.70 1.40 0.83) = 26.044% kept HN LEU 67 - HG2 LYS+ 32 11.111% * 6.6370% (0.70 0.36 0.02) = 6.637% kept HN ASP- 115 - HG2 LYS+ 32 11.111% * 5.1616% (0.27 0.72 0.02) = 5.162% kept HN THR 106 - HG2 LYS+ 32 11.111% * 4.8136% (0.33 0.56 0.02) = 4.814% kept HN VAL 94 - HG2 LYS+ 32 11.111% * 0.7644% (0.38 0.08 0.02) = 0.764% HN GLU- 45 - HG2 LYS+ 32 11.111% * 0.4602% (0.20 0.09 0.02) = 0.460% HN VAL 105 - HG2 LYS+ 32 11.111% * 0.1871% (0.35 0.02 0.02) = 0.187% Peak 3454 (7.34, 1.27, 24.84 ppm): 6 chemical-shift based assignments, quality = 0.651, support = 2.87, residual support = 15.2: HZ PHE 34 - HG2 LYS+ 32 16.667% * 37.9256% (0.72 3.71 17.88) = 37.926% kept QE PHE 34 - HG2 LYS+ 32 16.667% * 29.3078% (0.72 2.87 17.88) = 29.308% kept QD PHE 34 - HG2 LYS+ 32 16.667% * 17.9254% (0.47 2.69 17.88) = 17.925% kept HN VAL 47 - HG2 LYS+ 32 16.667% * 7.3888% (0.41 1.26 0.10) = 7.389% kept HZ2 TRP 51 - HG2 LYS+ 32 16.667% * 7.3438% (0.72 0.72 0.26) = 7.344% kept HN ARG+ 84 - HG2 LYS+ 32 16.667% * 0.1086% (0.38 0.02 0.02) = 0.109% Peak 3455 (4.48, 1.27, 24.84 ppm): 11 chemical-shift based assignments, quality = 0.42, support = 3.77, residual support = 35.3: O HA LYS+ 32 - HG2 LYS+ 32 9.091% * 93.5934% (0.44 10.0 4.01 37.70) = 93.593% kept HA LYS+ 55 - HG2 LYS+ 32 9.091% * 1.4163% (0.18 1.0 0.74 3.28) = 1.416% kept HA SER 77 - HG2 LYS+ 32 9.091% * 1.1884% (0.44 1.0 0.25 0.02) = 1.188% kept HA ILE 100 - HG2 LYS+ 32 9.091% * 0.9174% (0.33 1.0 0.27 0.02) = 0.917% HA ILE 101 - HG2 LYS+ 32 9.091% * 0.8413% (0.30 1.0 0.27 0.02) = 0.841% HA ASN 76 - HG2 LYS+ 32 9.091% * 0.7325% (0.65 1.0 0.11 0.02) = 0.732% HA CYS 123 - HG2 LYS+ 32 9.091% * 0.6989% (0.53 1.0 0.12 0.02) = 0.699% HB THR 46 - HG2 LYS+ 32 9.091% * 0.4683% (0.18 1.0 0.24 0.02) = 0.468% HA PRO 86 - HG2 LYS+ 32 9.091% * 0.0812% (0.38 1.0 0.02 0.02) = 0.081% HA GLU- 50 - HG2 LYS+ 32 9.091% * 0.0385% (0.18 1.0 0.02 0.02) = 0.038% HA VAL 99 - HG2 LYS+ 32 9.091% * 0.0238% (0.11 1.0 0.02 0.35) = 0.024% Peak 3456 (3.49, 1.13, 24.84 ppm): 5 chemical-shift based assignments, quality = 0.456, support = 1.67, residual support = 3.32: HA1 GLY 30 - HG3 LYS+ 32 20.000% * 36.3190% (0.71 1.04 2.62) = 36.319% kept HA ILE 48 - HG3 LYS+ 32 20.000% * 26.7761% (0.26 2.11 2.15) = 26.776% kept HD3 PRO 31 - HG3 LYS+ 32 20.000% * 22.7317% (0.16 2.92 7.89) = 22.732% kept HB3 SER 69 - HG3 LYS+ 32 20.000% * 14.0350% (0.64 0.45 0.02) = 14.035% kept HA1 GLY 71 - HG3 LYS+ 32 20.000% * 0.1382% (0.14 0.02 0.02) = 0.138% Peak 3457 (3.49, 1.27, 24.84 ppm): 5 chemical-shift based assignments, quality = 0.477, support = 1.52, residual support = 3.53: HA1 GLY 30 - HG2 LYS+ 32 20.000% * 39.6763% (0.72 1.02 2.62) = 39.676% kept HD3 PRO 31 - HG2 LYS+ 32 20.000% * 26.4414% (0.16 3.04 7.89) = 26.441% kept HA ILE 48 - HG2 LYS+ 32 20.000% * 18.6863% (0.26 1.32 2.15) = 18.686% kept HB3 SER 69 - HG2 LYS+ 32 20.000% * 15.0413% (0.65 0.43 0.02) = 15.041% kept HA1 GLY 71 - HG2 LYS+ 32 20.000% * 0.1547% (0.14 0.02 0.02) = 0.155% Peak 3458 (3.18, 0.93, 24.69 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3459 (8.98, 0.93, 24.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3460 (8.61, 1.03, 24.99 ppm): 4 chemical-shift based assignments, quality = 0.25, support = 4.03, residual support = 36.3: HN LYS+ 20 - HG3 LYS+ 20 25.000% * 98.0615% (0.25 4.11 37.06) = 98.061% kept HN THR 39 - HG3 LYS+ 20 25.000% * 1.5420% (0.06 0.27 0.02) = 1.542% kept HN SER 85 - HG3 LYS+ 20 25.000% * 0.2950% (0.16 0.02 0.02) = 0.295% HN VAL 80 - HG3 LYS+ 20 25.000% * 0.1015% (0.05 0.02 0.02) = 0.102% Peak 3461 (7.83, 1.28, 25.06 ppm): 3 chemical-shift based assignments, quality = 0.439, support = 1.89, residual support = 3.2: HN LYS+ 55 - HG2 LYS+ 32 33.333% * 97.5205% (0.43 1.94 3.28) = 97.521% kept HN LYS+ 63 - HG2 LYS+ 32 33.333% * 2.0699% (0.89 0.02 0.02) = 2.070% kept HN ALA 93 - HG2 LYS+ 32 33.333% * 0.4096% (0.18 0.02 0.02) = 0.410% Peak 3462 (4.78, 1.28, 25.06 ppm): 4 chemical-shift based assignments, quality = 0.878, support = 0.678, residual support = 0.0199: HA PRO 116 - HG2 LYS+ 32 25.000% * 94.5642% (0.88 0.72 0.02) = 94.564% kept HA ASP- 115 - HG2 LYS+ 32 25.000% * 2.5964% (0.87 0.02 0.02) = 2.596% kept HA LYS+ 113 - HG2 LYS+ 32 25.000% * 2.3755% (0.79 0.02 0.02) = 2.376% kept HA VAL 40 - HG2 LYS+ 32 25.000% * 0.4639% (0.16 0.02 0.02) = 0.464% Peak 3463 (4.51, 1.40, 25.25 ppm): 14 chemical-shift based assignments, quality = 0.0869, support = 1.44, residual support = 15.4: O HA LYS+ 55 - HG3 LYS+ 55 7.143% * 87.9485% (0.06 10.0 1.62 17.46) = 87.948% kept HA LYS+ 55 - HG3 LYS+ 108 7.143% * 6.8408% (0.42 1.0 0.17 0.02) = 6.841% kept HA LYS+ 78 - HG3 LYS+ 108 7.143% * 2.6837% (0.33 1.0 0.08 0.02) = 2.684% kept HB THR 46 - HG3 LYS+ 108 7.143% * 0.8014% (0.42 1.0 0.02 0.16) = 0.801% HA SER 77 - HG3 LYS+ 108 7.143% * 0.4497% (0.23 1.0 0.02 0.02) = 0.450% HA ALA 103 - HG3 LYS+ 108 7.143% * 0.3467% (0.18 1.0 0.02 0.02) = 0.347% HA CYS 123 - HG3 LYS+ 108 7.143% * 0.3467% (0.18 1.0 0.02 0.02) = 0.347% HA ASN 76 - HG3 LYS+ 108 7.143% * 0.2057% (0.11 1.0 0.02 0.02) = 0.206% HB THR 46 - HG3 LYS+ 55 7.143% * 0.1084% (0.06 1.0 0.02 0.02) = 0.108% HA LYS+ 78 - HG3 LYS+ 55 7.143% * 0.0859% (0.04 1.0 0.02 0.02) = 0.086% HA SER 77 - HG3 LYS+ 55 7.143% * 0.0609% (0.03 1.0 0.02 0.02) = 0.061% HA CYS 123 - HG3 LYS+ 55 7.143% * 0.0469% (0.02 1.0 0.02 0.02) = 0.047% HA ALA 103 - HG3 LYS+ 55 7.143% * 0.0469% (0.02 1.0 0.02 0.02) = 0.047% HA ASN 76 - HG3 LYS+ 55 7.143% * 0.0278% (0.01 1.0 0.02 0.02) = 0.028% Peak 3464 (4.10, 1.40, 25.25 ppm): 14 chemical-shift based assignments, quality = 0.312, support = 0.33, residual support = 0.117: HA THR 46 - HG3 LYS+ 108 7.143% * 58.9820% (0.35 1.00 0.51 0.16) = 58.982% kept T HA LYS+ 44 - HG3 LYS+ 108 7.143% * 21.6165% (0.32 10.00 0.02 0.02) = 21.616% kept HA LYS+ 44 - HG3 LYS+ 55 7.143% * 4.1150% (0.04 1.00 0.28 0.02) = 4.115% kept HA ALA 70 - HG3 LYS+ 108 7.143% * 3.0921% (0.46 1.00 0.02 0.02) = 3.092% kept HA VAL 105 - HG3 LYS+ 108 7.143% * 3.0308% (0.45 1.00 0.02 0.02) = 3.031% kept HA LYS+ 63 - HG3 LYS+ 55 7.143% * 2.2266% (0.02 1.00 0.37 0.02) = 2.227% kept HA ARG+ 53 - HG3 LYS+ 55 7.143% * 1.9297% (0.02 1.00 0.24 0.68) = 1.930% kept HB THR 106 - HG3 LYS+ 108 7.143% * 1.5595% (0.23 1.00 0.02 0.02) = 1.560% kept HA ARG+ 53 - HG3 LYS+ 108 7.143% * 1.2025% (0.18 1.00 0.02 0.02) = 1.202% kept HA LYS+ 63 - HG3 LYS+ 108 7.143% * 0.8908% (0.13 1.00 0.02 0.02) = 0.891% HA ALA 70 - HG3 LYS+ 55 7.143% * 0.4184% (0.06 1.00 0.02 0.02) = 0.418% HA VAL 105 - HG3 LYS+ 55 7.143% * 0.4102% (0.06 1.00 0.02 0.02) = 0.410% HA THR 46 - HG3 LYS+ 55 7.143% * 0.3148% (0.05 1.00 0.02 0.02) = 0.315% HB THR 106 - HG3 LYS+ 55 7.143% * 0.2110% (0.03 1.00 0.02 0.02) = 0.211% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 3465 (2.23, 1.46, 27.63 ppm): 24 chemical-shift based assignments, quality = 0.1, support = 0.892, residual support = 1.31: HG3 GLU- 75 - HG LEU 74 4.167% * 22.7041% (0.11 1.47 3.20) = 22.704% kept HG3 GLU- 18 - HG LEU 74 4.167% * 16.8001% (0.08 1.41 2.48) = 16.800% kept HG3 MET 126 - HG LEU 74 4.167% * 9.3566% (0.05 1.23 1.13) = 9.357% kept HB VAL 80 - HG LEU 74 4.167% * 7.5138% (0.05 1.17 0.56) = 7.514% kept HG3 GLU- 107 - HG LEU 74 4.167% * 6.7630% (0.08 0.60 0.02) = 6.763% kept HG3 MET 126 - HG LEU 90 4.167% * 5.3134% (0.15 0.25 0.02) = 5.313% kept HB3 PRO 52 - HG LEU 90 4.167% * 5.3050% (0.29 0.13 0.02) = 5.305% kept HB2 GLU- 50 - HG LEU 90 4.167% * 5.2458% (0.21 0.18 0.02) = 5.246% kept HG3 GLU- 109 - HG LEU 74 4.167% * 3.8174% (0.06 0.43 0.02) = 3.817% kept HA1 GLY 58 - HG LEU 74 4.167% * 3.0665% (0.04 0.52 0.33) = 3.066% kept HB3 PRO 52 - HG LEU 74 4.167% * 2.7603% (0.11 0.18 0.02) = 2.760% kept HB2 GLU- 50 - HG LEU 74 4.167% * 2.3941% (0.08 0.22 0.02) = 2.394% kept HA1 GLY 58 - HG LEU 90 4.167% * 1.9126% (0.12 0.12 0.14) = 1.913% kept HG2 GLU- 56 - HG LEU 74 4.167% * 1.2877% (0.09 0.10 0.02) = 1.288% kept HG3 MET 118 - HG LEU 74 4.167% * 1.1098% (0.10 0.08 0.02) = 1.110% kept HG3 GLU- 75 - HG LEU 90 4.167% * 0.8493% (0.30 0.02 0.32) = 0.849% HG3 MET 118 - HG LEU 90 4.167% * 0.7685% (0.27 0.02 0.12) = 0.769% HG2 GLU- 56 - HG LEU 90 4.167% * 0.6862% (0.24 0.02 0.02) = 0.686% HG3 GLU- 18 - HG LEU 90 4.167% * 0.6549% (0.23 0.02 0.02) = 0.655% HG3 GLU- 107 - HG LEU 90 4.167% * 0.6223% (0.22 0.02 0.02) = 0.622% HG3 GLU- 109 - HG LEU 90 4.167% * 0.4852% (0.17 0.02 0.02) = 0.485% HB VAL 80 - HG LEU 90 4.167% * 0.3523% (0.13 0.02 0.02) = 0.352% HG3 GLU- 54 - HG LEU 90 4.167% * 0.1696% (0.06 0.02 0.02) = 0.170% HG3 GLU- 54 - HG LEU 74 4.167% * 0.0616% (0.02 0.02 0.02) = 0.062% Not enough quality. Peak unassigned. Peak 3466 (2.23, 1.68, 27.63 ppm): 13 chemical-shift based assignments, quality = 0.497, support = 0.322, residual support = 0.0194: HB3 PRO 52 - HG3 ARG+ 84 7.692% * 25.1793% (0.64 0.37 0.02) = 25.179% kept HG3 MET 118 - HG3 ARG+ 84 7.692% * 20.0978% (0.62 0.30 0.02) = 20.098% kept HA1 GLY 58 - HG3 ARG+ 84 7.692% * 16.6872% (0.24 0.66 0.02) = 16.687% kept HG3 GLU- 18 - HG3 ARG+ 84 7.692% * 11.7682% (0.57 0.19 0.02) = 11.768% kept HG3 GLU- 75 - HG3 ARG+ 84 7.692% * 8.7434% (0.59 0.14 0.02) = 8.743% kept HG3 GLU- 107 - HG3 ARG+ 84 7.692% * 6.3149% (0.55 0.11 0.02) = 6.315% kept HB VAL 80 - HG3 ARG+ 84 7.692% * 4.6937% (0.18 0.25 0.02) = 4.694% kept HG3 GLU- 54 - HG3 ARG+ 84 7.692% * 2.3903% (0.20 0.11 0.02) = 2.390% kept HB2 GLU- 50 - HG3 ARG+ 84 7.692% * 1.1286% (0.53 0.02 0.02) = 1.129% kept HG3 GLU- 109 - HG3 ARG+ 84 7.692% * 0.9811% (0.46 0.02 0.02) = 0.981% HG3 MET 126 - HG3 ARG+ 84 7.692% * 0.8741% (0.41 0.02 0.02) = 0.874% HG2 GLU- 56 - HG3 ARG+ 84 7.692% * 0.8741% (0.41 0.02 0.02) = 0.874% HB2 LYS+ 113 - HG3 ARG+ 84 7.692% * 0.2674% (0.13 0.02 0.02) = 0.267% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 3467 (0.28, 1.63, 27.60 ppm): 2 chemical-shift based assignments, quality = 0.539, support = 0.847, residual support = 0.807: T QD2 LEU 23 - HG3 ARG+ 84 50.000% * 55.0092% (0.41 10.00 1.11 1.01) = 55.009% kept T QD2 LEU 23 - HG12 ILE 101 50.000% * 44.9908% (0.70 10.00 0.53 0.56) = 44.991% kept Peak 3469 (0.28, 1.46, 27.63 ppm): 2 chemical-shift based assignments, quality = 0.155, support = 0.134, residual support = 0.109: QD2 LEU 23 - HG LEU 74 50.000% * 75.5916% (0.11 0.17 0.14) = 75.592% kept QD2 LEU 23 - HG LEU 90 50.000% * 24.4084% (0.30 0.02 0.02) = 24.408% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3470 (3.99, 0.68, 28.31 ppm): 6 chemical-shift based assignments, quality = 0.732, support = 1.17, residual support = 1.63: HB THR 95 - HG12 ILE 19 16.667% * 43.8146% (0.70 1.73 2.60) = 43.815% kept HA LYS+ 44 - HG12 ILE 19 16.667% * 29.2508% (0.78 1.04 1.66) = 29.251% kept HB3 SER 77 - HG12 ILE 19 16.667% * 12.1432% (0.75 0.45 0.02) = 12.143% kept HA1 GLY 92 - HG12 ILE 19 16.667% * 10.5149% (0.70 0.42 0.02) = 10.515% kept HB THR 39 - HG12 ILE 19 16.667% * 4.1649% (0.74 0.16 0.02) = 4.165% kept HB THR 38 - HG12 ILE 19 16.667% * 0.1115% (0.15 0.02 0.02) = 0.112% Peak 3471 (4.87, 0.68, 28.31 ppm): 3 chemical-shift based assignments, quality = 0.748, support = 4.0, residual support = 27.3: O HA ILE 19 - HG12 ILE 19 33.333% * 91.8092% (0.78 10.0 4.15 28.10) = 91.809% kept HA THR 96 - HG12 ILE 19 33.333% * 6.4065% (0.38 1.0 2.84 23.07) = 6.407% kept HA SER 69 - HG12 ILE 19 33.333% * 1.7842% (0.68 1.0 0.44 0.29) = 1.784% kept Peak 3472 (0.92, 0.73, 28.28 ppm): 13 chemical-shift based assignments, quality = 0.0978, support = 2.01, residual support = 7.88: HG LEU 74 - HG12 ILE 100 7.692% * 68.0900% (0.09 2.76 11.04) = 68.090% kept HG13 ILE 68 - HG12 ILE 100 7.692% * 17.9171% (0.12 0.55 1.51) = 17.917% kept QD1 LEU 67 - HG12 ILE 100 7.692% * 10.2607% (0.11 0.35 0.94) = 10.261% kept QG2 VAL 73 - HG12 ILE 100 7.692% * 0.7749% (0.15 0.02 0.02) = 0.775% QG2 VAL 87 - HG12 ILE 100 7.692% * 0.6260% (0.12 0.02 0.02) = 0.626% QG1 VAL 47 - HG12 ILE 100 7.692% * 0.5299% (0.10 0.02 0.02) = 0.530% QG2 VAL 105 - HG12 ILE 100 7.692% * 0.4968% (0.09 0.02 0.02) = 0.497% QD1 LEU 17 - HG12 ILE 100 7.692% * 0.3672% (0.07 0.02 0.02) = 0.367% QG1 VAL 105 - HG12 ILE 100 7.692% * 0.3368% (0.06 0.02 0.02) = 0.337% QG1 VAL 80 - HG12 ILE 100 7.692% * 0.2043% (0.04 0.02 0.02) = 0.204% HG12 ILE 29 - HG12 ILE 100 7.692% * 0.1435% (0.03 0.02 0.02) = 0.143% QG2 VAL 62 - HG12 ILE 100 7.692% * 0.1264% (0.02 0.02 0.11) = 0.126% QG1 VAL 122 - HG12 ILE 100 7.692% * 0.1264% (0.02 0.02 0.02) = 0.126% Peak 3473 (1.39, 0.73, 28.28 ppm): 9 chemical-shift based assignments, quality = 0.0699, support = 2.55, residual support = 10.2: HG LEU 74 - HG12 ILE 100 11.111% * 92.1484% (0.07 2.76 11.04) = 92.148% kept HD3 LYS+ 20 - HG12 ILE 100 11.111% * 1.3783% (0.15 0.02 0.02) = 1.378% kept HB3 LYS+ 20 - HG12 ILE 100 11.111% * 1.3232% (0.03 0.08 0.02) = 1.323% kept QB ALA 91 - HG12 ILE 100 11.111% * 1.3044% (0.03 0.10 0.02) = 1.304% kept QG2 THR 39 - HG12 ILE 100 11.111% * 1.1135% (0.12 0.02 0.02) = 1.114% kept HG2 LYS+ 78 - HG12 ILE 100 11.111% * 0.8249% (0.09 0.02 0.02) = 0.825% QB ALA 42 - HG12 ILE 100 11.111% * 0.7092% (0.08 0.02 0.02) = 0.709% QB ALA 37 - HG12 ILE 100 11.111% * 0.5990% (0.06 0.02 0.02) = 0.599% QG2 THR 38 - HG12 ILE 100 11.111% * 0.5990% (0.06 0.02 0.02) = 0.599% Peak 3475 (4.17, 1.38, 28.44 ppm): 6 chemical-shift based assignments, quality = 0.205, support = 1.07, residual support = 1.51: HA LYS+ 44 - HG13 ILE 19 16.667% * 90.6702% (0.19 1.18 1.66) = 90.670% kept HA VAL 73 - HG13 ILE 19 16.667% * 4.1411% (0.52 0.02 0.02) = 4.141% kept HA MET 126 - HG13 ILE 19 16.667% * 2.4784% (0.31 0.02 0.02) = 2.478% kept HA GLU- 64 - HG13 ILE 19 16.667% * 1.3512% (0.17 0.02 0.02) = 1.351% kept HB2 SER 88 - HG13 ILE 19 16.667% * 0.7667% (0.10 0.02 0.02) = 0.767% HA ASP- 82 - HG13 ILE 19 16.667% * 0.5925% (0.07 0.02 0.02) = 0.592% Peak 3476 (4.48, 1.39, 28.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3477 (3.29, 1.68, 27.61 ppm): 3 chemical-shift based assignments, quality = 0.461, support = 0.383, residual support = 0.644: HA LEU 23 - HG3 ARG+ 84 33.333% * 63.1912% (0.44 0.52 1.01) = 63.191% kept HD3 ARG+ 53 - HG3 ARG+ 84 33.333% * 26.1638% (0.51 0.18 0.02) = 26.164% kept HE3 LYS+ 63 - HG3 ARG+ 84 33.333% * 10.6450% (0.49 0.08 0.02) = 10.645% kept Peak 3478 (3.14, 1.77, 27.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3479 (3.13, 1.56, 27.31 ppm): 8 chemical-shift based assignments, quality = 0.146, support = 0.418, residual support = 0.16: HB3 HIS+ 98 - HG LEU 17 12.500% * 32.4015% (0.22 0.25 0.02) = 32.402% kept HA1 GLY 58 - HG LEU 17 12.500% * 30.5799% (0.06 0.80 0.36) = 30.580% kept HD3 PRO 35 - HG LEU 17 12.500% * 24.1435% (0.11 0.36 0.17) = 24.144% kept HE3 LYS+ 108 - HG LEU 17 12.500% * 2.8564% (0.24 0.02 0.02) = 2.856% kept HE3 LYS+ 117 - HG LEU 17 12.500% * 2.8564% (0.24 0.02 0.02) = 2.856% kept HE3 LYS+ 72 - HG LEU 17 12.500% * 2.7998% (0.24 0.02 0.02) = 2.800% kept HE3 LYS+ 81 - HG LEU 17 12.500% * 2.5674% (0.22 0.02 0.02) = 2.567% kept HD2 ARG+ 53 - HG LEU 17 12.500% * 1.7952% (0.15 0.02 0.02) = 1.795% kept Not enough quality. Peak unassigned. Peak 3480 (4.55, 1.56, 27.31 ppm): 5 chemical-shift based assignments, quality = 0.249, support = 2.46, residual support = 23.3: O HA LEU 17 - HG LEU 17 20.000% * 98.6632% (0.25 10.0 2.49 23.57) = 98.663% kept HA ALA 103 - HG LEU 17 20.000% * 1.1631% (0.20 1.0 0.29 0.02) = 1.163% kept HA THR 79 - HG LEU 17 20.000% * 0.0980% (0.25 1.0 0.02 0.02) = 0.098% HA LYS+ 78 - HG LEU 17 20.000% * 0.0481% (0.12 1.0 0.02 0.02) = 0.048% HA LYS+ 72 - HG LEU 17 20.000% * 0.0275% (0.07 1.0 0.02 0.02) = 0.027% Peak 3481 (4.85, 2.04, 27.63 ppm): 9 chemical-shift based assignments, quality = 0.272, support = 0.985, residual support = 1.38: HA THR 96 - HG3 PRO 86 11.111% * 70.7569% (0.35 0.91 1.50) = 70.757% kept HA THR 96 - HG2 PRO 86 11.111% * 21.1576% (0.06 1.51 1.50) = 21.158% kept HA MET 97 - HG3 PRO 86 11.111% * 4.9310% (0.06 0.34 0.02) = 4.931% kept HA THR 96 - HG3 ARG+ 53 11.111% * 1.8094% (0.41 0.02 0.02) = 1.809% kept HA ILE 19 - HG3 ARG+ 53 11.111% * 0.4769% (0.11 0.02 0.02) = 0.477% HA ILE 19 - HG3 PRO 86 11.111% * 0.4078% (0.09 0.02 0.02) = 0.408% HA MET 97 - HG3 ARG+ 53 11.111% * 0.3350% (0.08 0.02 0.02) = 0.335% HA ILE 19 - HG2 PRO 86 11.111% * 0.0737% (0.02 0.02 0.02) = 0.074% HA MET 97 - HG2 PRO 86 11.111% * 0.0517% (0.01 0.02 0.02) = 0.052% Peak 3482 (3.50, 0.81, 27.87 ppm): 6 chemical-shift based assignments, quality = 0.786, support = 0.175, residual support = 0.893: HA1 GLY 30 - QD2 LEU 67 16.667% * 48.4745% (0.72 0.22 0.02) = 48.474% kept HB3 SER 69 - QD2 LEU 67 16.667% * 41.7004% (0.96 0.14 0.02) = 41.700% kept HA ILE 48 - QD2 LEU 67 16.667% * 9.1874% (0.40 0.08 9.52) = 9.187% kept HB3 SER 69 - HG12 ILE 100 16.667% * 0.2935% (0.05 0.02 0.02) = 0.293% HA1 GLY 30 - HG12 ILE 100 16.667% * 0.2208% (0.04 0.02 0.02) = 0.221% HA ILE 48 - HG12 ILE 100 16.667% * 0.1234% (0.02 0.02 0.02) = 0.123% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3483 (5.57, 0.81, 27.87 ppm): 2 chemical-shift based assignments, quality = 0.479, support = 3.72, residual support = 27.5: HA LEU 67 - QD2 LEU 67 50.000% * 99.1530% (0.48 3.76 27.70) = 99.153% kept HA LEU 67 - HG12 ILE 100 50.000% * 0.8470% (0.02 0.63 0.94) = 0.847% Peak 3484 (7.05, 0.81, 27.87 ppm): 4 chemical-shift based assignments, quality = 0.908, support = 0.634, residual support = 0.774: QD TYR 83 - QD2 LEU 67 25.000% * 76.5558% (0.99 0.72 1.00) = 76.556% kept QE PHE 21 - QD2 LEU 67 25.000% * 23.2677% (0.64 0.34 0.02) = 23.268% kept QD TYR 83 - HG12 ILE 100 25.000% * 0.1071% (0.05 0.02 0.02) = 0.107% QE PHE 21 - HG12 ILE 100 25.000% * 0.0694% (0.03 0.02 0.02) = 0.069% Peak 3485 (7.93, 0.81, 27.87 ppm): 2 chemical-shift based assignments, quality = 0.369, support = 0.0886, residual support = 0.02: HN LYS+ 72 - QD2 LEU 67 50.000% * 98.8788% (0.37 0.09 0.02) = 98.879% kept HN LYS+ 72 - HG12 ILE 100 50.000% * 1.1212% (0.02 0.02 0.02) = 1.121% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3486 (8.27, 0.81, 27.87 ppm): 12 chemical-shift based assignments, quality = 0.304, support = 3.84, residual support = 21.6: HN LEU 67 - QD2 LEU 67 8.333% * 78.0865% (0.20 4.84 27.70) = 78.086% kept HN THR 106 - QD2 LEU 67 8.333% * 18.1762% (0.72 0.31 0.02) = 18.176% kept HN ASP- 115 - QD2 LEU 67 8.333% * 1.3049% (0.80 0.02 0.02) = 1.305% kept HN ASN 89 - QD2 LEU 67 8.333% * 1.2454% (0.76 0.02 0.02) = 1.245% kept HN ASP- 28 - QD2 LEU 67 8.333% * 0.6116% (0.37 0.02 0.02) = 0.612% HN LYS+ 81 - QD2 LEU 67 8.333% * 0.3225% (0.20 0.02 0.02) = 0.322% HN ASP- 115 - HG12 ILE 100 8.333% * 0.0661% (0.04 0.02 0.11) = 0.066% HN ASN 89 - HG12 ILE 100 8.333% * 0.0631% (0.04 0.02 0.02) = 0.063% HN THR 106 - HG12 ILE 100 8.333% * 0.0600% (0.04 0.02 0.02) = 0.060% HN ASP- 28 - HG12 ILE 100 8.333% * 0.0310% (0.02 0.02 0.37) = 0.031% HN LEU 67 - HG12 ILE 100 8.333% * 0.0163% (0.01 0.02 0.94) = 0.016% HN LYS+ 81 - HG12 ILE 100 8.333% * 0.0163% (0.01 0.02 0.02) = 0.016% Peak 3487 (4.18, 0.93, 28.37 ppm): 18 chemical-shift based assignments, quality = 0.401, support = 2.09, residual support = 6.06: T HA VAL 73 - HG13 ILE 68 5.556% * 46.6264% (0.45 10.00 2.86 6.96) = 46.626% kept T HA VAL 73 - HG12 ILE 68 5.556% * 39.2990% (0.43 10.00 1.77 6.96) = 39.299% kept T HA VAL 73 - QD1 LEU 67 5.556% * 7.0159% (0.20 10.00 0.66 1.01) = 7.016% kept T HA GLU- 64 - QD1 LEU 67 5.556% * 1.7027% (0.15 10.00 0.22 0.02) = 1.703% kept T HA LYS+ 44 - QD1 LEU 67 5.556% * 1.4349% (0.07 10.00 0.41 0.21) = 1.435% kept HA MET 126 - HG13 ILE 68 5.556% * 1.0395% (0.44 1.00 0.46 0.02) = 1.040% kept HA MET 126 - HG12 ILE 68 5.556% * 0.8644% (0.42 1.00 0.40 0.02) = 0.864% T HA LYS+ 44 - HG13 ILE 68 5.556% * 0.8545% (0.15 10.00 0.11 0.73) = 0.855% T HA GLU- 64 - HG13 ILE 68 5.556% * 0.3386% (0.33 10.00 0.02 0.02) = 0.339% HA LYS+ 44 - HG12 ILE 68 5.556% * 0.2602% (0.14 1.00 0.36 0.73) = 0.260% HA ASP- 82 - HG13 ILE 68 5.556% * 0.2214% (0.20 1.00 0.22 0.02) = 0.221% HA MET 126 - QD1 LEU 67 5.556% * 0.1308% (0.20 1.00 0.13 0.02) = 0.131% T HA GLU- 109 - HG13 ILE 68 5.556% * 0.0975% (0.09 10.00 0.02 0.02) = 0.098% T HA GLU- 109 - QD1 LEU 67 5.556% * 0.0443% (0.04 10.00 0.02 0.02) = 0.044% HA GLU- 64 - HG12 ILE 68 5.556% * 0.0322% (0.31 1.00 0.02 0.02) = 0.032% HA ASP- 82 - HG12 ILE 68 5.556% * 0.0193% (0.19 1.00 0.02 0.02) = 0.019% HA GLU- 109 - HG12 ILE 68 5.556% * 0.0093% (0.09 1.00 0.02 0.02) = 0.009% HA ASP- 82 - QD1 LEU 67 5.556% * 0.0092% (0.09 1.00 0.02 0.02) = 0.009% Peak 3488 (8.87, 0.93, 28.37 ppm): 6 chemical-shift based assignments, quality = 0.389, support = 4.65, residual support = 29.9: HN ILE 68 - HG13 ILE 68 16.667% * 47.2119% (0.43 5.52 32.74) = 47.212% kept HN ILE 68 - HG12 ILE 68 16.667% * 36.8479% (0.41 4.54 32.74) = 36.848% kept HN ILE 68 - QD1 LEU 67 16.667% * 11.8021% (0.19 3.04 19.74) = 11.802% kept HN ASP- 36 - HG13 ILE 68 16.667% * 2.1141% (0.38 0.28 0.02) = 2.114% kept HN ASP- 36 - HG12 ILE 68 16.667% * 1.7580% (0.36 0.24 0.02) = 1.758% kept HN ASP- 36 - QD1 LEU 67 16.667% * 0.2660% (0.17 0.08 0.02) = 0.266% Peak 3489 (8.87, 1.38, 28.37 ppm): 2 chemical-shift based assignments, quality = 0.456, support = 2.46, residual support = 5.27: HN ILE 68 - HG13 ILE 19 50.000% * 99.2837% (0.46 2.48 5.30) = 99.284% kept HN ASP- 36 - HG13 ILE 19 50.000% * 0.7163% (0.41 0.02 0.02) = 0.716% Peak 3490 (9.25, 1.40, 27.95 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3494 (7.33, 1.77, 27.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3495 (7.33, 1.66, 27.63 ppm): 14 chemical-shift based assignments, quality = 0.867, support = 3.34, residual support = 22.7: HN ARG+ 84 - HG3 ARG+ 84 7.143% * 78.9118% (0.89 4.15 28.69) = 78.912% kept QD PHE 34 - HG3 ARG+ 84 7.143% * 6.4901% (0.96 0.32 0.02) = 6.490% kept HZ PHE 34 - HG3 ARG+ 84 7.143% * 5.8335% (0.86 0.32 0.02) = 5.833% kept HZ2 TRP 51 - HG3 ARG+ 84 7.143% * 5.0995% (0.86 0.28 0.02) = 5.099% kept HZ2 TRP 51 - HG12 ILE 101 7.143% * 2.3026% (0.23 0.46 0.92) = 2.303% kept HN VAL 47 - HG3 ARG+ 84 7.143% * 0.3913% (0.92 0.02 0.02) = 0.391% QE PHE 34 - HG3 ARG+ 84 7.143% * 0.3677% (0.86 0.02 0.02) = 0.368% QD PHE 34 - HG12 ILE 101 7.143% * 0.1111% (0.26 0.02 0.02) = 0.111% HN VAL 47 - HG12 ILE 101 7.143% * 0.1063% (0.25 0.02 0.02) = 0.106% HN ARG+ 84 - HG12 ILE 101 7.143% * 0.1033% (0.24 0.02 0.02) = 0.103% HZ PHE 34 - HG12 ILE 101 7.143% * 0.0999% (0.23 0.02 0.02) = 0.100% QE PHE 34 - HG12 ILE 101 7.143% * 0.0999% (0.23 0.02 0.02) = 0.100% HN ILE 48 - HG3 ARG+ 84 7.143% * 0.0654% (0.15 0.02 0.64) = 0.065% HN ILE 48 - HG12 ILE 101 7.143% * 0.0178% (0.04 0.02 0.02) = 0.018% Peak 3496 (9.31, 1.57, 26.98 ppm): 2 chemical-shift based assignments, quality = 0.829, support = 1.33, residual support = 5.98: HN ILE 29 - HG LEU 17 50.000% * 99.2696% (0.84 1.34 6.02) = 99.270% kept HN LEU 23 - HG LEU 17 50.000% * 0.7304% (0.41 0.02 0.02) = 0.730% Peak 3499 (8.50, 1.58, 27.31 ppm): 1 chemical-shift based assignment, quality = 0.105, support = 3.91, residual support = 19.1: HN GLU- 18 - HG LEU 17 100.000% *100.0000% (0.10 3.91 19.06) = 100.000% kept Peak 3500 (8.98, 1.58, 27.31 ppm): 1 chemical-shift based assignment, quality = 0.114, support = 0.02, residual support = 0.02: HN MET 97 - HG LEU 17 100.000% *100.0000% (0.11 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3501 (9.08, 2.10, 28.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3502 (9.08, 2.01, 28.93 ppm): 4 chemical-shift based assignments, quality = 0.0998, support = 0.222, residual support = 0.02: HN GLU- 54 - HB2 GLU- 45 25.000% * 66.4036% (0.06 0.32 0.02) = 66.404% kept HN LYS+ 66 - HB3 GLU- 45 25.000% * 15.1302% (0.21 0.02 0.02) = 15.130% kept HN GLU- 54 - HB3 GLU- 45 25.000% * 14.0603% (0.20 0.02 0.02) = 14.060% kept HN LYS+ 66 - HB2 GLU- 45 25.000% * 4.4059% (0.06 0.02 0.02) = 4.406% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3503 (4.25, 2.01, 28.93 ppm): 34 chemical-shift based assignments, quality = 0.123, support = 0.434, residual support = 0.0188: HA SER 49 - HB3 GLU- 45 2.941% * 26.4702% (0.14 0.67 0.02) = 26.470% kept HA PRO 59 - HB3 GLU- 45 2.941% * 19.8528% (0.22 0.32 0.02) = 19.853% kept HA GLU- 54 - HB3 GLU- 45 2.941% * 14.4449% (0.16 0.32 0.02) = 14.445% kept HA ALA 42 - HB3 GLU- 45 2.941% * 10.4465% (0.06 0.61 0.02) = 10.447% kept HD3 PRO 59 - HB3 GLU- 45 2.941% * 5.9579% (0.04 0.55 0.02) = 5.958% kept HA PRO 59 - HB2 GLU- 45 2.941% * 5.7811% (0.06 0.32 0.02) = 5.781% kept HA SER 49 - HB2 GLU- 45 2.941% * 3.7865% (0.04 0.33 0.02) = 3.786% kept HD3 PRO 59 - HB2 GLU- 45 2.941% * 1.7268% (0.01 0.55 0.02) = 1.727% kept HB3 SER 49 - HB3 GLU- 45 2.941% * 1.6600% (0.05 0.12 0.02) = 1.660% kept HB3 SER 49 - HB2 GLU- 45 2.941% * 1.6151% (0.01 0.41 0.02) = 1.615% kept HA LYS+ 108 - HB3 GLU- 45 2.941% * 1.2238% (0.22 0.02 0.02) = 1.224% kept HA2 GLY 114 - HB3 GLU- 45 2.941% * 1.0639% (0.19 0.02 0.02) = 1.064% kept HA GLU- 56 - HB3 GLU- 45 2.941% * 0.9374% (0.17 0.02 0.87) = 0.937% HA GLU- 18 - HB3 GLU- 45 2.941% * 0.7439% (0.13 0.02 0.02) = 0.744% HA GLU- 75 - HB3 GLU- 45 2.941% * 0.6453% (0.11 0.02 0.02) = 0.645% HA LYS+ 108 - HB2 GLU- 45 2.941% * 0.3564% (0.06 0.02 0.02) = 0.356% HA2 GLY 114 - HB2 GLU- 45 2.941% * 0.3098% (0.06 0.02 0.02) = 0.310% HA ARG+ 84 - HB3 GLU- 45 2.941% * 0.3058% (0.05 0.02 0.02) = 0.306% HA LYS+ 110 - HB3 GLU- 45 2.941% * 0.3058% (0.05 0.02 0.02) = 0.306% HA VAL 65 - HB3 GLU- 45 2.941% * 0.2731% (0.05 0.02 0.02) = 0.273% HA GLU- 56 - HB2 GLU- 45 2.941% * 0.2730% (0.05 0.02 0.87) = 0.273% HA GLU- 54 - HB2 GLU- 45 2.941% * 0.2594% (0.05 0.02 0.02) = 0.259% HA GLU- 18 - HB2 GLU- 45 2.941% * 0.2166% (0.04 0.02 0.02) = 0.217% HA SER 85 - HB3 GLU- 45 2.941% * 0.2148% (0.04 0.02 0.02) = 0.215% HA PRO 52 - HB3 GLU- 45 2.941% * 0.2148% (0.04 0.02 0.02) = 0.215% HA ALA 91 - HB3 GLU- 45 2.941% * 0.1892% (0.03 0.02 0.02) = 0.189% HA GLU- 75 - HB2 GLU- 45 2.941% * 0.1879% (0.03 0.02 0.02) = 0.188% HA ALA 42 - HB2 GLU- 45 2.941% * 0.0993% (0.02 0.02 0.02) = 0.099% HA ARG+ 84 - HB2 GLU- 45 2.941% * 0.0891% (0.02 0.02 0.02) = 0.089% HA LYS+ 110 - HB2 GLU- 45 2.941% * 0.0891% (0.02 0.02 0.02) = 0.089% HA VAL 65 - HB2 GLU- 45 2.941% * 0.0795% (0.01 0.02 0.02) = 0.080% HA PRO 52 - HB2 GLU- 45 2.941% * 0.0626% (0.01 0.02 0.02) = 0.063% HA SER 85 - HB2 GLU- 45 2.941% * 0.0626% (0.01 0.02 0.02) = 0.063% HA ALA 91 - HB2 GLU- 45 2.941% * 0.0551% (0.01 0.02 0.02) = 0.055% Not enough quality. Peak unassigned. 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 22 chemical-shift based assignments, quality = 0.0829, support = 0.245, residual support = 0.435: HA GLU- 54 - HD3 LYS+ 63 4.545% * 24.8309% (0.07 1.00 0.74 0.19) = 24.831% kept T HA GLU- 64 - HB2 GLU- 75 4.545% * 21.5462% (0.05 10.00 0.09 0.02) = 21.546% kept T HA LYS+ 44 - HB2 GLU- 75 4.545% * 15.8206% (0.01 10.00 0.21 0.02) = 15.821% kept T HA GLU- 109 - HB2 GLU- 75 4.545% * 6.6085% (0.06 10.00 0.02 0.02) = 6.609% kept HA GLU- 109 - HD3 LYS+ 63 4.545% * 3.3771% (0.33 1.00 0.02 0.02) = 3.377% kept HA SER 49 - HD3 LYS+ 63 4.545% * 3.3417% (0.08 1.00 0.08 0.02) = 3.342% kept HA ASP- 82 - HD3 LYS+ 63 4.545% * 3.2232% (0.32 1.00 0.02 0.02) = 3.223% kept T HA MET 126 - HB2 GLU- 75 4.545% * 2.9893% (0.03 10.00 0.02 0.02) = 2.989% kept HA ASP- 82 - HB2 GLU- 75 4.545% * 2.4798% (0.06 1.00 0.08 0.02) = 2.480% kept HA GLU- 64 - HD3 LYS+ 63 4.545% * 2.4742% (0.24 1.00 0.02 15.04) = 2.474% kept HB3 SER 49 - HD3 LYS+ 63 4.545% * 2.3405% (0.23 1.00 0.02 0.02) = 2.340% kept HA LYS+ 110 - HD3 LYS+ 63 4.545% * 2.2042% (0.22 1.00 0.02 0.02) = 2.204% kept HA ALA 42 - HD3 LYS+ 63 4.545% * 2.0666% (0.20 1.00 0.02 0.02) = 2.067% kept T HA GLU- 18 - HB2 GLU- 75 4.545% * 1.8538% (0.02 10.00 0.02 0.14) = 1.854% kept HA MET 126 - HD3 LYS+ 63 4.545% * 1.5276% (0.15 1.00 0.02 0.02) = 1.528% kept HA GLU- 18 - HD3 LYS+ 63 4.545% * 0.9474% (0.09 1.00 0.02 0.02) = 0.947% HA LYS+ 44 - HD3 LYS+ 63 4.545% * 0.7765% (0.08 1.00 0.02 0.02) = 0.776% HB3 SER 49 - HB2 GLU- 75 4.545% * 0.4580% (0.04 1.00 0.02 0.02) = 0.458% HA LYS+ 110 - HB2 GLU- 75 4.545% * 0.4313% (0.04 1.00 0.02 0.02) = 0.431% HA ALA 42 - HB2 GLU- 75 4.545% * 0.4044% (0.04 1.00 0.02 0.02) = 0.404% HA SER 49 - HB2 GLU- 75 4.545% * 0.1663% (0.02 1.00 0.02 0.02) = 0.166% HA GLU- 54 - HB2 GLU- 75 4.545% * 0.1319% (0.01 1.00 0.02 0.12) = 0.132% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3511 (2.25, 1.90, 30.28 ppm): 14 chemical-shift based assignments, quality = 0.089, support = 0.786, residual support = 6.48: O HG3 GLU- 75 - HB2 GLU- 75 7.143% * 75.2947% (0.04 10.0 1.00 8.60) = 75.295% kept HB VAL 80 - HD3 LYS+ 63 7.143% * 10.8399% (0.33 1.0 0.16 0.02) = 10.840% kept HG2 GLU- 56 - HD3 LYS+ 63 7.143% * 6.2974% (0.29 1.0 0.11 0.02) = 6.297% kept HA1 GLY 58 - HD3 LYS+ 63 7.143% * 4.9835% (0.14 1.0 0.18 0.02) = 4.983% kept HG3 GLU- 75 - HD3 LYS+ 63 7.143% * 0.7696% (0.19 1.0 0.02 0.02) = 0.770% HB3 PRO 52 - HD3 LYS+ 63 7.143% * 0.4637% (0.11 1.0 0.02 0.02) = 0.464% HG3 MET 118 - HD3 LYS+ 63 7.143% * 0.3389% (0.08 1.0 0.02 0.02) = 0.339% HB VAL 80 - HB2 GLU- 75 7.143% * 0.2636% (0.06 1.0 0.02 0.02) = 0.264% HG2 GLU- 56 - HB2 GLU- 75 7.143% * 0.2307% (0.06 1.0 0.02 0.02) = 0.231% HG3 GLU- 18 - HD3 LYS+ 63 7.143% * 0.2097% (0.05 1.0 0.02 0.02) = 0.210% HA1 GLY 58 - HB2 GLU- 75 7.143% * 0.1102% (0.03 1.0 0.02 0.02) = 0.110% HB3 PRO 52 - HB2 GLU- 75 7.143% * 0.0907% (0.02 1.0 0.02 0.02) = 0.091% HG3 MET 118 - HB2 GLU- 75 7.143% * 0.0663% (0.02 1.0 0.02 0.02) = 0.066% HG3 GLU- 18 - HB2 GLU- 75 7.143% * 0.0410% (0.01 1.0 0.02 0.14) = 0.041% Peak 3512 (1.91, 1.90, 30.28 ppm): 1 diagonal assignment: HD3 LYS+ 63 - HD3 LYS+ 63 (0.33) kept Peak 3513 (4.93, 1.90, 30.85 ppm): 6 chemical-shift based assignments, quality = 0.445, support = 2.41, residual support = 23.3: O HA GLN 102 - HB3 GLN 102 16.667% * 96.5892% (0.45 10.0 2.48 24.03) = 96.589% kept HA ALA 33 - HB3 GLN 102 16.667% * 3.0077% (0.45 1.0 0.62 1.51) = 3.008% kept HA HIS+ 98 - HB3 GLN 102 16.667% * 0.1261% (0.58 1.0 0.02 0.02) = 0.126% HA HIS+ 98 - HB3 GLU- 56 16.667% * 0.1094% (0.51 1.0 0.02 0.02) = 0.109% HA ALA 33 - HB3 GLU- 56 16.667% * 0.0838% (0.39 1.0 0.02 0.02) = 0.084% HA GLN 102 - HB3 GLU- 56 16.667% * 0.0838% (0.39 1.0 0.02 0.02) = 0.084% Peak 3514 (8.50, 2.03, 31.51 ppm): 1 chemical-shift based assignment, quality = 0.039, support = 3.27, residual support = 26.9: O HN GLU- 18 - HB2 GLU- 18 100.000% *100.0000% (0.04 10.0 3.27 26.94) = 100.000% kept Peak 3516 (8.18, 2.49, 31.14 ppm): 5 chemical-shift based assignments, quality = 0.45, support = 3.6, residual support = 19.6: HN SER 41 - HB VAL 40 20.000% * 94.8767% (0.46 3.78 20.68) = 94.877% kept HN LYS+ 117 - HB VAL 40 20.000% * 2.6832% (0.20 0.25 0.02) = 2.683% kept HN ASN 119 - HB VAL 40 20.000% * 1.9043% (0.44 0.08 0.02) = 1.904% kept HN ALA 33 - HB VAL 40 20.000% * 0.3635% (0.33 0.02 0.02) = 0.363% HN SER 77 - HB VAL 40 20.000% * 0.1723% (0.16 0.02 0.02) = 0.172% Peak 3517 (4.81, 2.03, 31.51 ppm): 5 chemical-shift based assignments, quality = 0.0724, support = 0.725, residual support = 0.693: HA GLU- 107 - HB2 GLU- 18 20.000% * 46.7001% (0.09 0.62 0.87) = 46.700% kept HA MET 97 - HB2 GLU- 18 20.000% * 42.4747% (0.06 0.96 0.46) = 42.475% kept HA LYS+ 113 - HB2 GLU- 18 20.000% * 10.0662% (0.05 0.25 0.92) = 10.066% kept HA PRO 116 - HB2 GLU- 18 20.000% * 0.4657% (0.03 0.02 0.02) = 0.466% HA ASP- 115 - HB2 GLU- 18 20.000% * 0.2933% (0.02 0.02 0.02) = 0.293% Not enough quality. Peak unassigned. Peak 3518 (2.48, 2.48, 31.16 ppm): 1 diagonal assignment: HB VAL 40 - HB VAL 40 (0.60) 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3532 (8.37, 1.92, 30.87 ppm): 8 chemical-shift based assignments, quality = 0.318, support = 2.67, residual support = 6.56: HN ALA 103 - HB3 GLN 102 12.500% * 71.3094% (0.24 3.62 9.19) = 71.309% kept HN GLY 71 - HB3 GLN 102 12.500% * 19.0554% (0.64 0.37 0.02) = 19.055% kept HN GLU- 109 - HB3 GLN 102 12.500% * 5.6242% (0.20 0.35 0.10) = 5.624% kept HN GLY 71 - HB3 GLU- 56 12.500% * 1.3990% (0.86 0.02 0.02) = 1.399% kept HN LYS+ 108 - HB3 GLU- 56 12.500% * 0.9461% (0.58 0.02 0.02) = 0.946% HN LYS+ 108 - HB3 GLN 102 12.500% * 0.7001% (0.43 0.02 0.02) = 0.700% HN ALA 103 - HB3 GLU- 56 12.500% * 0.5321% (0.33 0.02 0.02) = 0.532% HN GLU- 109 - HB3 GLU- 56 12.500% * 0.4337% (0.27 0.02 0.02) = 0.434% Peak 3533 (8.79, 1.72, 31.20 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3534 (8.50, 1.77, 31.52 ppm): 4 chemical-shift based assignments, quality = 0.091, support = 4.83, residual support = 26.9: O HN GLU- 18 - HB3 GLU- 18 25.000% * 99.7282% (0.09 10.0 4.84 26.94) = 99.728% kept HN GLU- 18 - HB2 ARG+ 84 25.000% * 0.1840% (0.17 1.0 0.02 0.02) = 0.184% HN GLY 92 - HB2 ARG+ 84 25.000% * 0.0569% (0.05 1.0 0.02 0.02) = 0.057% HN GLY 92 - HB3 GLU- 18 25.000% * 0.0308% (0.03 1.0 0.02 0.02) = 0.031% Peak 3535 (3.88, 2.58, 32.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3536 (2.90, 2.91, 31.92 ppm): 1 diagonal assignment: HB2 HIS+ 98 - HB2 HIS+ 98 (0.38) kept Peak 3537 (1.63, 2.91, 31.92 ppm): 11 chemical-shift based assignments, quality = 0.323, support = 2.02, residual support = 2.16: HB3 MET 97 - HB2 HIS+ 98 9.091% * 24.9533% (0.21 3.27 5.66) = 24.953% kept HG LEU 23 - HB2 HIS+ 98 9.091% * 23.8417% (0.44 1.45 0.93) = 23.842% kept HB3 ARG+ 22 - HB2 HIS+ 98 9.091% * 22.3184% (0.24 2.49 1.98) = 22.318% kept HB2 LEU 67 - HB2 HIS+ 98 9.091% * 21.0963% (0.43 1.34 0.39) = 21.096% kept HB ILE 100 - HB2 HIS+ 98 9.091% * 4.6398% (0.43 0.29 0.02) = 4.640% kept HG3 ARG+ 84 - HB2 HIS+ 98 9.091% * 1.6045% (0.11 0.38 0.02) = 1.605% kept HB3 LEU 17 - HB2 HIS+ 98 9.091% * 0.8107% (0.08 0.27 0.02) = 0.811% HG12 ILE 101 - HB2 HIS+ 98 9.091% * 0.3147% (0.43 0.02 0.02) = 0.315% HG3 LYS+ 78 - HB2 HIS+ 98 9.091% * 0.2205% (0.30 0.02 0.02) = 0.221% HG2 LYS+ 110 - HB2 HIS+ 98 9.091% * 0.1052% (0.14 0.02 0.02) = 0.105% HG3 LYS+ 110 - HB2 HIS+ 98 9.091% * 0.0948% (0.13 0.02 0.02) = 0.095% Peak 3538 (1.36, 2.91, 31.92 ppm): 8 chemical-shift based assignments, quality = 0.407, support = 1.83, residual support = 1.3: QB ALA 91 - HB2 HIS+ 98 12.500% * 27.5009% (0.46 2.17 1.90) = 27.501% kept HG3 ARG+ 22 - HB2 HIS+ 98 12.500% * 24.1780% (0.41 2.11 1.98) = 24.178% kept HG13 ILE 19 - HB2 HIS+ 98 12.500% * 19.1456% (0.40 1.73 0.93) = 19.146% kept HB3 LYS+ 20 - HB2 HIS+ 98 12.500% * 17.1417% (0.46 1.34 0.36) = 17.142% kept HG LEU 74 - HB2 HIS+ 98 12.500% * 10.6268% (0.24 1.57 0.59) = 10.627% kept QG2 THR 39 - HB2 HIS+ 98 12.500% * 0.7486% (0.28 0.10 0.02) = 0.749% HB2 LEU 17 - HB2 HIS+ 98 12.500% * 0.4536% (0.16 0.10 0.02) = 0.454% HG2 LYS+ 78 - HB2 HIS+ 98 12.500% * 0.2048% (0.37 0.02 0.02) = 0.205% Peak 3539 (0.74, 2.91, 31.92 ppm): 7 chemical-shift based assignments, quality = 0.339, support = 0.819, residual support = 1.06: QD1 ILE 68 - HB2 HIS+ 98 14.286% * 35.0958% (0.38 0.88 2.40) = 35.096% kept HG3 LYS+ 66 - HB2 HIS+ 98 14.286% * 31.3147% (0.46 0.66 0.43) = 31.315% kept QG2 VAL 40 - HB2 HIS+ 98 14.286% * 15.3835% (0.28 0.53 0.02) = 15.383% kept HG LEU 74 - HB2 HIS+ 98 14.286% * 13.6940% (0.08 1.57 0.59) = 13.694% kept HG12 ILE 100 - HB2 HIS+ 98 14.286% * 2.4687% (0.08 0.29 0.02) = 2.469% kept HG3 LYS+ 44 - HB2 HIS+ 98 14.286% * 1.8541% (0.19 0.09 0.02) = 1.854% kept QG2 ILE 48 - HB2 HIS+ 98 14.286% * 0.1892% (0.09 0.02 0.02) = 0.189% Peak 3540 (3.16, 3.15, 31.92 ppm): 1 diagonal assignment: HB3 HIS+ 98 - HB3 HIS+ 98 (0.29) kept Peak 3541 (1.64, 3.15, 31.92 ppm): 9 chemical-shift based assignments, quality = 0.489, support = 2.3, residual support = 3.1: HB3 MET 97 - HB3 HIS+ 98 11.111% * 40.7153% (0.53 3.05 5.66) = 40.715% kept HB3 ARG+ 22 - HB3 HIS+ 98 11.111% * 32.8760% (0.56 2.34 1.98) = 32.876% kept HG LEU 23 - HB3 HIS+ 98 11.111% * 12.0564% (0.34 1.43 0.93) = 12.056% kept HB2 LEU 67 - HB3 HIS+ 98 11.111% * 8.4099% (0.29 1.16 0.39) = 8.410% kept HG3 ARG+ 84 - HB3 HIS+ 98 11.111% * 3.6416% (0.41 0.36 0.02) = 3.642% kept HB ILE 100 - HB3 HIS+ 98 11.111% * 2.0157% (0.29 0.28 0.02) = 2.016% kept HG12 ILE 101 - HB3 HIS+ 98 11.111% * 0.1447% (0.29 0.02 0.02) = 0.145% HB3 MET 126 - HB3 HIS+ 98 11.111% * 0.0741% (0.15 0.02 0.02) = 0.074% HG3 LYS+ 78 - HB3 HIS+ 98 11.111% * 0.0662% (0.13 0.02 0.02) = 0.066% Peak 3542 (1.36, 3.15, 31.92 ppm): 8 chemical-shift based assignments, quality = 0.525, support = 1.51, residual support = 1.3: QB ALA 91 - HB3 HIS+ 98 12.500% * 28.0401% (0.59 1.79 1.90) = 28.040% kept HG3 ARG+ 22 - HB3 HIS+ 98 12.500% * 24.6808% (0.53 1.74 1.98) = 24.681% kept HB3 LYS+ 20 - HB3 HIS+ 98 12.500% * 17.5639% (0.60 1.11 0.36) = 17.564% kept HG13 ILE 19 - HB3 HIS+ 98 12.500% * 14.6980% (0.52 1.07 0.93) = 14.698% kept HG LEU 74 - HB3 HIS+ 98 12.500% * 13.6356% (0.32 1.63 0.59) = 13.636% kept QG2 THR 39 - HB3 HIS+ 98 12.500% * 1.0208% (0.36 0.11 0.02) = 1.021% kept HG2 LYS+ 78 - HB3 HIS+ 98 12.500% * 0.2530% (0.48 0.02 0.02) = 0.253% HB2 LEU 17 - HB3 HIS+ 98 12.500% * 0.1078% (0.20 0.02 0.02) = 0.108% Peak 3543 (0.74, 3.15, 31.92 ppm): 7 chemical-shift based assignments, quality = 0.442, support = 0.839, residual support = 1.06: QD1 ILE 68 - HB3 HIS+ 98 14.286% * 34.7199% (0.50 0.88 2.40) = 34.720% kept HG3 LYS+ 66 - HB3 HIS+ 98 14.286% * 32.8820% (0.60 0.70 0.43) = 32.882% kept HG LEU 74 - HB3 HIS+ 98 14.286% * 14.0746% (0.11 1.63 0.59) = 14.075% kept QG2 VAL 40 - HB3 HIS+ 98 14.286% * 13.9950% (0.36 0.49 0.02) = 13.995% kept HG12 ILE 100 - HB3 HIS+ 98 14.286% * 2.3070% (0.10 0.28 0.02) = 2.307% kept HG3 LYS+ 44 - HB3 HIS+ 98 14.286% * 1.8342% (0.25 0.09 0.02) = 1.834% kept QG2 ILE 48 - HB3 HIS+ 98 14.286% * 0.1872% (0.12 0.02 0.02) = 0.187% Peak 3544 (4.92, 3.15, 31.92 ppm): 3 chemical-shift based assignments, quality = 0.56, support = 3.37, residual support = 27.0: O HA HIS+ 98 - HB3 HIS+ 98 33.333% * 99.2493% (0.56 10.0 3.39 27.19) = 99.249% kept HA ALA 33 - HB3 HIS+ 98 33.333% * 0.6631% (0.50 1.0 0.15 0.02) = 0.663% HA GLN 102 - HB3 HIS+ 98 33.333% * 0.0876% (0.50 1.0 0.02 0.02) = 0.088% Peak 3545 (8.31, 3.15, 31.92 ppm): 6 chemical-shift based assignments, quality = 0.516, support = 2.84, residual support = 9.45: HN VAL 99 - HB3 HIS+ 98 16.667% * 67.0066% (0.53 3.61 13.36) = 67.007% kept HN ALA 91 - HB3 HIS+ 98 16.667% * 26.3593% (0.53 1.42 1.90) = 26.359% kept HN GLY 114 - HB3 HIS+ 98 16.667% * 6.1507% (0.27 0.66 0.02) = 6.151% kept HN ASN 76 - HB3 HIS+ 98 16.667% * 0.2342% (0.34 0.02 0.02) = 0.234% HN ASP- 28 - HB3 HIS+ 98 16.667% * 0.1854% (0.27 0.02 0.02) = 0.185% HN ASN 89 - HB3 HIS+ 98 16.667% * 0.0638% (0.09 0.02 0.02) = 0.064% Peak 3546 (9.46, 3.15, 31.92 ppm): 1 chemical-shift based assignment, quality = 0.456, support = 3.03, residual support = 27.2: O HN HIS+ 98 - HB3 HIS+ 98 100.000% *100.0000% (0.46 10.0 3.03 27.19) = 100.000% kept Peak 3547 (4.92, 2.91, 31.92 ppm): 3 chemical-shift based assignments, quality = 0.433, support = 3.33, residual support = 27.0: O HA HIS+ 98 - HB2 HIS+ 98 33.333% * 99.2493% (0.44 10.0 3.35 27.19) = 99.249% kept HA ALA 33 - HB2 HIS+ 98 33.333% * 0.6631% (0.38 1.0 0.15 0.02) = 0.663% HA GLN 102 - HB2 HIS+ 98 33.333% * 0.0876% (0.38 1.0 0.02 0.02) = 0.088% Peak 3548 (8.31, 2.91, 31.92 ppm): 6 chemical-shift based assignments, quality = 0.4, support = 2.84, residual support = 8.6: HN VAL 99 - HB2 HIS+ 98 16.667% * 59.4318% (0.41 3.53 13.36) = 59.432% kept HN ALA 91 - HB2 HIS+ 98 16.667% * 34.5383% (0.41 2.05 1.90) = 34.538% kept HN GLY 114 - HB2 HIS+ 98 16.667% * 5.5906% (0.21 0.66 0.02) = 5.591% kept HN ASN 76 - HB2 HIS+ 98 16.667% * 0.2128% (0.26 0.02 0.02) = 0.213% HN ASP- 28 - HB2 HIS+ 98 16.667% * 0.1685% (0.21 0.02 0.02) = 0.169% HN ASN 89 - HB2 HIS+ 98 16.667% * 0.0580% (0.07 0.02 0.02) = 0.058% Peak 3549 (9.47, 2.91, 31.92 ppm): 2 chemical-shift based assignments, quality = 0.461, support = 2.95, residual support = 27.2: O HN HIS+ 98 - HB2 HIS+ 98 50.000% * 99.9777% (0.46 10.0 2.96 27.19) = 99.978% kept HN ALA 70 - HB2 HIS+ 98 50.000% * 0.0223% (0.10 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): 10 chemical-shift based assignments, quality = 0.132, support = 3.45, residual support = 54.4: O HA TRP 51 - HB2 TRP 51 10.000% * 96.8614% (0.14 10.0 3.56 56.12) = 96.861% kept HA1 GLY 26 - HB2 TRP 51 10.000% * 0.5519% (0.78 1.0 0.02 0.02) = 0.552% HA LYS+ 117 - HB2 TRP 51 10.000% * 0.5232% (0.74 1.0 0.02 0.02) = 0.523% HA2 GLY 26 - HB2 TRP 51 10.000% * 0.4798% (0.68 1.0 0.02 0.02) = 0.480% HB THR 61 - HB2 TRP 51 10.000% * 0.3355% (0.47 1.0 0.02 0.02) = 0.335% HA THR 38 - HB2 TRP 51 10.000% * 0.3131% (0.44 1.0 0.02 0.02) = 0.313% HA VAL 94 - HB2 TRP 51 10.000% * 0.2910% (0.41 1.0 0.02 0.02) = 0.291% HA LYS+ 60 - HB2 TRP 51 10.000% * 0.2480% (0.35 1.0 0.02 0.02) = 0.248% HA ALA 37 - HB2 TRP 51 10.000% * 0.2076% (0.29 1.0 0.02 0.02) = 0.208% HA ASN 57 - HB2 TRP 51 10.000% * 0.1887% (0.27 1.0 0.02 0.02) = 0.189% Peak 3553 (7.50, 3.04, 29.47 ppm): 2 chemical-shift based assignments, quality = 0.699, support = 2.87, residual support = 56.1: O HE3 TRP 51 - HB2 TRP 51 50.000% * 99.9722% (0.70 10.0 2.87 56.12) = 99.972% kept HN ASP- 82 - HB2 TRP 51 50.000% * 0.0278% (0.19 1.0 0.02 0.02) = 0.028% Peak 3554 (7.51, 3.70, 29.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3555 (4.37, 3.70, 29.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3556 (8.23, 2.24, 29.25 ppm): 9 chemical-shift based assignments, quality = 0.451, support = 2.48, residual support = 3.64: HN SER 49 - HB2 GLU- 50 11.111% * 35.4534% (0.53 2.51 5.15) = 35.453% kept HN GLU- 45 - HB2 GLU- 50 11.111% * 29.1560% (0.35 3.14 3.68) = 29.156% kept HN GLY 58 - HB2 GLU- 50 11.111% * 27.9161% (0.46 2.28 2.63) = 27.916% kept HN VAL 105 - HB2 GLU- 50 11.111% * 6.6674% (0.48 0.52 0.02) = 6.667% kept HN VAL 94 - HB2 GLU- 50 11.111% * 0.2653% (0.50 0.02 0.02) = 0.265% HN LEU 67 - HB2 GLU- 50 11.111% * 0.2101% (0.40 0.02 0.02) = 0.210% HN LYS+ 81 - HB2 GLU- 50 11.111% * 0.2101% (0.40 0.02 0.02) = 0.210% HN LYS+ 117 - HB2 GLU- 50 11.111% * 0.0681% (0.13 0.02 0.02) = 0.068% HN THR 106 - HB2 GLU- 50 11.111% * 0.0536% (0.10 0.02 0.02) = 0.054% Peak 3557 (7.79, 2.24, 29.25 ppm): 4 chemical-shift based assignments, quality = 0.5, support = 1.04, residual support = 0.573: HN THR 46 - HB2 GLU- 50 25.000% * 56.9268% (0.55 1.36 0.83) = 56.927% kept HN VAL 87 - HB2 GLU- 50 25.000% * 24.1021% (0.56 0.57 0.32) = 24.102% kept HN LYS+ 55 - HB2 GLU- 50 25.000% * 15.9187% (0.26 0.80 0.13) = 15.919% kept HN ALA 93 - HB2 GLU- 50 25.000% * 3.0524% (0.46 0.09 0.02) = 3.052% kept Peak 3558 (7.79, 2.04, 29.25 ppm): 8 chemical-shift based assignments, quality = 0.797, support = 2.66, residual support = 8.29: HN THR 46 - HB3 GLU- 45 12.500% * 34.8984% (0.83 3.56 12.03) = 34.898% kept HN THR 46 - HB2 GLU- 45 12.500% * 33.0385% (0.81 3.46 12.03) = 33.039% kept HN VAL 87 - HB3 GLU- 45 12.500% * 8.9242% (0.85 0.89 0.28) = 8.924% kept HN ALA 93 - HB3 GLU- 45 12.500% * 8.4086% (0.71 1.01 0.44) = 8.409% kept HN ALA 93 - HB2 GLU- 45 12.500% * 7.3603% (0.69 0.91 0.44) = 7.360% kept HN VAL 87 - HB2 GLU- 45 12.500% * 5.2550% (0.83 0.54 0.28) = 5.255% kept HN LYS+ 55 - HB2 GLU- 45 12.500% * 2.0221% (0.39 0.45 0.02) = 2.022% kept HN LYS+ 55 - HB3 GLU- 45 12.500% * 0.0929% (0.40 0.02 0.02) = 0.093% Peak 3559 (4.23, 2.04, 29.25 ppm): 26 chemical-shift based assignments, quality = 0.726, support = 0.707, residual support = 1.56: T HA SER 49 - HB3 GLU- 45 3.846% * 39.8183% (0.88 10.00 0.67 0.02) = 39.818% kept T HA SER 49 - HB2 GLU- 45 3.846% * 19.0534% (0.86 10.00 0.33 0.02) = 19.053% kept T HA PRO 59 - HB3 GLU- 45 3.846% * 13.3000% (0.61 10.00 0.32 0.02) = 13.300% kept T HA PRO 59 - HB2 GLU- 45 3.846% * 12.9554% (0.59 10.00 0.32 0.02) = 12.955% kept HA LYS+ 44 - HB2 GLU- 45 3.846% * 3.6286% (0.14 1.00 3.95 22.09) = 3.629% kept HA LYS+ 44 - HB3 GLU- 45 3.846% * 3.3675% (0.14 1.00 3.57 22.09) = 3.368% kept HA ALA 42 - HB3 GLU- 45 3.846% * 2.8004% (0.67 1.00 0.61 0.02) = 2.800% kept HA GLU- 54 - HB3 GLU- 45 3.846% * 1.9358% (0.88 1.00 0.32 0.02) = 1.936% kept HB3 SER 49 - HB2 GLU- 45 3.846% * 1.6257% (0.59 1.00 0.41 0.02) = 1.626% kept HB3 SER 49 - HB3 GLU- 45 3.846% * 0.4995% (0.61 1.00 0.12 0.02) = 0.500% HA GLU- 18 - HB3 GLU- 45 3.846% * 0.1186% (0.87 1.00 0.02 0.02) = 0.119% HA GLU- 54 - HB2 GLU- 45 3.846% * 0.1163% (0.86 1.00 0.02 0.02) = 0.116% HA GLU- 18 - HB2 GLU- 45 3.846% * 0.1155% (0.85 1.00 0.02 0.02) = 0.115% HA ALA 42 - HB2 GLU- 45 3.846% * 0.0891% (0.66 1.00 0.02 0.02) = 0.089% HA LYS+ 110 - HB3 GLU- 45 3.846% * 0.0869% (0.64 1.00 0.02 0.02) = 0.087% HA LYS+ 110 - HB2 GLU- 45 3.846% * 0.0846% (0.62 1.00 0.02 0.02) = 0.085% HA LYS+ 108 - HB3 GLU- 45 3.846% * 0.0774% (0.57 1.00 0.02 0.02) = 0.077% HA LYS+ 108 - HB2 GLU- 45 3.846% * 0.0754% (0.56 1.00 0.02 0.02) = 0.075% HA2 GLY 114 - HB3 GLU- 45 3.846% * 0.0449% (0.33 1.00 0.02 0.02) = 0.045% HA2 GLY 114 - HB2 GLU- 45 3.846% * 0.0437% (0.32 1.00 0.02 0.02) = 0.044% HA GLU- 109 - HB3 GLU- 45 3.846% * 0.0333% (0.25 1.00 0.02 0.02) = 0.033% HA GLU- 56 - HB3 GLU- 45 3.846% * 0.0333% (0.25 1.00 0.02 0.87) = 0.033% HA GLU- 56 - HB2 GLU- 45 3.846% * 0.0324% (0.24 1.00 0.02 0.87) = 0.032% HA GLU- 109 - HB2 GLU- 45 3.846% * 0.0324% (0.24 1.00 0.02 0.02) = 0.032% HA GLU- 75 - HB3 GLU- 45 3.846% * 0.0162% (0.12 1.00 0.02 0.02) = 0.016% HA GLU- 75 - HB2 GLU- 45 3.846% * 0.0158% (0.12 1.00 0.02 0.02) = 0.016% Peak 3560 (3.85, 2.04, 29.25 ppm): 18 chemical-shift based assignments, quality = 0.673, support = 1.71, residual support = 8.55: T HD3 PRO 86 - HB2 GLU- 45 5.556% * 36.2806% (0.85 10.00 0.42 0.02) = 36.281% kept HA LYS+ 44 - HB2 GLU- 45 5.556% * 20.0377% (0.50 1.00 3.95 22.09) = 20.038% kept HA LYS+ 44 - HB3 GLU- 45 5.556% * 18.5962% (0.52 1.00 3.57 22.09) = 18.596% kept T HD3 PRO 86 - HB3 GLU- 45 5.556% * 14.3479% (0.87 10.00 0.16 0.02) = 14.348% kept HA ILE 48 - HB2 GLU- 45 5.556% * 4.7414% (0.42 1.00 1.12 0.02) = 4.741% kept HA ILE 48 - HB3 GLU- 45 5.556% * 2.7550% (0.43 1.00 0.63 0.02) = 2.755% kept HA VAL 87 - HB2 GLU- 45 5.556% * 1.5613% (0.62 1.00 0.25 0.28) = 1.561% kept HB3 SER 88 - HB2 GLU- 45 5.556% * 0.5679% (0.72 1.00 0.08 0.02) = 0.568% T HD2 PRO 116 - HB3 GLU- 45 5.556% * 0.2745% (0.14 10.00 0.02 0.02) = 0.275% T HD2 PRO 116 - HB2 GLU- 45 5.556% * 0.2674% (0.13 10.00 0.02 0.02) = 0.267% HB3 SER 88 - HB3 GLU- 45 5.556% * 0.1486% (0.74 1.00 0.02 0.02) = 0.149% HA VAL 87 - HB3 GLU- 45 5.556% * 0.1292% (0.64 1.00 0.02 0.28) = 0.129% HB2 SER 85 - HB3 GLU- 45 5.556% * 0.0731% (0.36 1.00 0.02 0.02) = 0.073% HB2 SER 85 - HB2 GLU- 45 5.556% * 0.0713% (0.35 1.00 0.02 0.02) = 0.071% HA2 GLY 92 - HB3 GLU- 45 5.556% * 0.0396% (0.20 1.00 0.02 0.02) = 0.040% HA2 GLY 92 - HB2 GLU- 45 5.556% * 0.0386% (0.19 1.00 0.02 0.02) = 0.039% HA VAL 125 - HB3 GLU- 45 5.556% * 0.0352% (0.17 1.00 0.02 0.02) = 0.035% HA VAL 125 - HB2 GLU- 45 5.556% * 0.0343% (0.17 1.00 0.02 0.02) = 0.034% Peak 3561 (4.24, 2.24, 29.25 ppm): 16 chemical-shift based assignments, quality = 0.385, support = 1.37, residual support = 2.86: HA SER 49 - HB2 GLU- 50 6.250% * 41.8437% (0.42 2.08 5.15) = 41.844% kept HA PRO 59 - HB2 GLU- 50 6.250% * 17.5821% (0.57 0.64 0.12) = 17.582% kept HA GLU- 54 - HB2 GLU- 50 6.250% * 16.6363% (0.46 0.75 0.23) = 16.636% kept HB3 SER 49 - HB2 GLU- 50 6.250% * 12.3887% (0.16 1.61 5.15) = 12.389% kept HD3 PRO 59 - HB2 GLU- 50 6.250% * 3.5910% (0.08 0.96 0.12) = 3.591% kept HA SER 85 - HB2 GLU- 50 6.250% * 2.8224% (0.08 0.75 0.02) = 2.822% kept HA GLU- 56 - HB2 GLU- 50 6.250% * 2.0621% (0.40 0.11 0.02) = 2.062% kept HA LYS+ 110 - HB2 GLU- 50 6.250% * 0.9909% (0.18 0.12 0.02) = 0.991% HA LYS+ 108 - HB2 GLU- 50 6.250% * 0.5422% (0.56 0.02 0.02) = 0.542% HA2 GLY 114 - HB2 GLU- 50 6.250% * 0.4429% (0.46 0.02 0.02) = 0.443% HA GLU- 18 - HB2 GLU- 50 6.250% * 0.3800% (0.40 0.02 0.14) = 0.380% HA GLU- 75 - HB2 GLU- 50 6.250% * 0.2480% (0.26 0.02 0.02) = 0.248% HA ALA 42 - HB2 GLU- 50 6.250% * 0.1887% (0.20 0.02 0.02) = 0.189% HA ARG+ 84 - HB2 GLU- 50 6.250% * 0.1095% (0.11 0.02 0.02) = 0.109% HA VAL 65 - HB2 GLU- 50 6.250% * 0.0969% (0.10 0.02 0.02) = 0.097% HA PRO 52 - HB2 GLU- 50 6.250% * 0.0749% (0.08 0.02 0.02) = 0.075% Peak 3562 (3.86, 2.24, 29.25 ppm): 10 chemical-shift based assignments, quality = 0.373, support = 2.44, residual support = 1.04: T HA LYS+ 44 - HB2 GLU- 50 10.000% * 80.5702% (0.37 10.00 2.78 1.17) = 80.570% kept HA ILE 48 - HB2 GLU- 50 10.000% * 5.7256% (0.25 1.00 2.05 1.18) = 5.726% kept HA VAL 87 - HB2 GLU- 50 10.000% * 4.5358% (0.57 1.00 0.72 0.32) = 4.536% kept HD3 PRO 86 - HB2 GLU- 50 10.000% * 3.4879% (0.40 1.00 0.80 0.37) = 3.488% kept HD2 PRO 86 - HB2 GLU- 50 10.000% * 2.1422% (0.24 1.00 0.82 0.37) = 2.142% kept HB2 SER 85 - HB2 GLU- 50 10.000% * 1.8897% (0.48 1.00 0.36 0.02) = 1.890% kept HB3 SER 88 - HB2 GLU- 50 10.000% * 1.4978% (0.57 1.00 0.24 0.02) = 1.498% kept HA VAL 125 - HB2 GLU- 50 10.000% * 0.0716% (0.33 1.00 0.02 0.02) = 0.072% HD2 PRO 116 - HB2 GLU- 50 10.000% * 0.0615% (0.28 1.00 0.02 0.02) = 0.062% HB3 SER 77 - HB2 GLU- 50 10.000% * 0.0177% (0.08 1.00 0.02 0.02) = 0.018% Peak 3563 (8.57, 4.04, 70.02 ppm): 4 chemical-shift based assignments, quality = 0.37, support = 1.76, residual support = 4.19: HN THR 39 - HB THR 38 25.000% * 46.8049% (0.35 2.36 7.57) = 46.805% kept HN VAL 73 - HB THR 38 25.000% * 31.4772% (0.41 1.37 0.84) = 31.477% kept HN VAL 80 - HB THR 38 25.000% * 21.2522% (0.37 1.03 1.79) = 21.252% kept HN LYS+ 20 - HB THR 38 25.000% * 0.4658% (0.11 0.08 0.02) = 0.466% Peak 3564 (0.69, 3.92, 69.47 ppm): 8 chemical-shift based assignments, quality = 0.714, support = 1.94, residual support = 17.4: QD1 ILE 19 - HB THR 96 12.500% * 36.7058% (0.76 2.29 23.07) = 36.706% kept QG2 VAL 94 - HB THR 96 12.500% * 29.1395% (0.71 1.93 8.78) = 29.140% kept HG12 ILE 19 - HB THR 96 12.500% * 27.4427% (0.69 1.89 23.07) = 27.443% kept HG2 PRO 59 - HB THR 96 12.500% * 5.4082% (0.74 0.35 0.02) = 5.408% kept QG1 VAL 62 - HB THR 96 12.500% * 0.6034% (0.28 0.10 0.71) = 0.603% HG LEU 67 - HB THR 96 12.500% * 0.3206% (0.76 0.02 0.02) = 0.321% QG2 ILE 101 - HB THR 96 12.500% * 0.2107% (0.50 0.02 0.02) = 0.211% QG2 ILE 48 - HB THR 96 12.500% * 0.1691% (0.40 0.02 0.02) = 0.169% Peak 3565 (2.73, 1.38, 29.95 ppm): 4 chemical-shift based assignments, quality = 0.675, support = 2.52, residual support = 31.9: O HE3 LYS+ 20 - HD3 LYS+ 20 25.000% * 84.3903% (0.65 10.0 2.61 37.06) = 84.390% kept HB3 PHE 21 - HD3 LYS+ 20 25.000% * 12.4643% (0.81 1.0 2.39 4.90) = 12.464% kept HA1 GLY 58 - HD3 LYS+ 20 25.000% * 3.0350% (0.82 1.0 0.57 0.02) = 3.035% kept HB3 ASP- 115 - HD3 LYS+ 20 25.000% * 0.1104% (0.85 1.0 0.02 0.02) = 0.110% Peak 3567 (2.74, 1.41, 29.99 ppm): 8 chemical-shift based assignments, quality = 0.781, support = 2.53, residual support = 33.0: O HE3 LYS+ 20 - HD3 LYS+ 20 12.500% * 87.8766% (0.79 10.0 1.00 2.61 37.06) = 87.877% kept HB3 PHE 21 - HD3 LYS+ 20 12.500% * 9.1768% (0.70 1.0 1.00 2.39 4.90) = 9.177% kept HA1 GLY 58 - HD3 LYS+ 20 12.500% * 2.4036% (0.76 1.0 1.00 0.57 0.02) = 2.404% kept T HE3 LYS+ 20 - HD3 LYS+ 113 12.500% * 0.2570% (0.23 1.0 10.00 0.02 0.02) = 0.257% T HB3 ASP- 115 - HD3 LYS+ 113 12.500% * 0.1781% (0.16 1.0 10.00 0.02 0.02) = 0.178% HB3 ASP- 115 - HD3 LYS+ 20 12.500% * 0.0609% (0.55 1.0 1.00 0.02 0.02) = 0.061% HA1 GLY 58 - HD3 LYS+ 113 12.500% * 0.0245% (0.22 1.0 1.00 0.02 0.02) = 0.025% HB3 PHE 21 - HD3 LYS+ 113 12.500% * 0.0225% (0.20 1.0 1.00 0.02 0.02) = 0.022% Peak 3568 (9.53, 1.94, 32.81 ppm): 5 chemical-shift based assignments, quality = 0.181, support = 0.434, residual support = 0.261: HE1 TRP 51 - HB3 LYS+ 55 20.000% * 92.4419% (0.19 0.47 0.28) = 92.442% kept HE1 TRP 51 - HB3 PRO 35 20.000% * 3.6228% (0.17 0.02 0.02) = 3.623% kept HE1 TRP 51 - HB VAL 122 20.000% * 2.0201% (0.10 0.02 0.02) = 2.020% kept HE1 TRP 51 - HB2 PRO 116 20.000% * 1.2712% (0.06 0.02 0.02) = 1.271% kept HE1 TRP 51 - HB3 MET 118 20.000% * 0.6440% (0.03 0.02 0.02) = 0.644% Not enough quality. Peak unassigned. Peak 3569 (9.53, 1.78, 32.81 ppm): 4 chemical-shift based assignments, quality = 0.187, support = 0.0963, residual support = 0.02: HE1 TRP 51 - HB2 LYS+ 117 25.000% * 45.6523% (0.19 0.11 0.02) = 45.652% kept HE1 TRP 51 - HB3 LYS+ 117 25.000% * 42.3536% (0.18 0.11 0.02) = 42.354% kept HE1 TRP 51 - HB3 LYS+ 63 25.000% * 9.3824% (0.21 0.02 0.02) = 9.382% kept HE1 TRP 51 - HB3 PRO 116 25.000% * 2.6118% (0.06 0.02 0.02) = 2.612% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3570 (7.41, 1.79, 32.50 ppm): 8 chemical-shift based assignments, quality = 0.358, support = 1.9, residual support = 8.81: HN GLU- 64 - HB3 LYS+ 63 12.500% * 57.6111% (0.36 3.01 15.04) = 57.611% kept HN GLU- 64 - HB2 LYS+ 117 12.500% * 9.3116% (0.31 0.57 0.02) = 9.312% kept HN GLU- 64 - HB3 LYS+ 117 12.500% * 8.9157% (0.29 0.57 0.02) = 8.916% kept HN GLU- 64 - HB3 PRO 116 12.500% * 8.2892% (0.55 0.28 0.02) = 8.289% kept HN THR 61 - HB3 LYS+ 63 12.500% * 5.7715% (0.38 0.28 2.43) = 5.772% kept HN THR 61 - HB2 LYS+ 117 12.500% * 4.8202% (0.33 0.28 0.02) = 4.820% kept HN THR 61 - HB3 LYS+ 117 12.500% * 4.6533% (0.31 0.28 0.02) = 4.653% kept HN THR 61 - HB3 PRO 116 12.500% * 0.6273% (0.59 0.02 0.02) = 0.627% 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): 54 chemical-shift based assignments, quality = 0.192, support = 2.0, residual support = 3.68: O HN VAL 105 - HB2 PRO 104 1.852% * 61.0918% (0.15 10.0 2.64 5.62) = 61.092% kept HN GLY 58 - HB2 PRO 59 1.852% * 7.3593% (0.40 1.0 0.91 0.02) = 7.359% kept HN GLY 58 - HB3 PRO 59 1.852% * 6.8703% (0.37 1.0 0.91 0.02) = 6.870% kept HN VAL 94 - HB2 PRO 59 1.852% * 5.2764% (0.18 1.0 1.45 1.98) = 5.276% kept HN VAL 94 - HB3 PRO 59 1.852% * 5.2142% (0.17 1.0 1.53 1.98) = 5.214% kept HN THR 106 - HB2 PRO 104 1.852% * 4.6760% (0.19 1.0 1.20 0.02) = 4.676% kept HN SER 49 - HB2 PRO 104 1.852% * 3.6481% (0.35 1.0 0.52 0.02) = 3.648% kept HN VAL 94 - HB2 PRO 104 1.852% * 3.0415% (0.16 1.0 0.91 1.36) = 3.041% kept HN LYS+ 81 - HB2 PRO 59 1.852% * 0.1611% (0.40 1.0 0.02 0.02) = 0.161% HN LEU 67 - HB2 PRO 59 1.852% * 0.1611% (0.40 1.0 0.02 0.02) = 0.161% HN SER 49 - HB2 PRO 59 1.852% * 0.1538% (0.38 1.0 0.02 0.02) = 0.154% HN LYS+ 81 - HB3 PRO 59 1.852% * 0.1504% (0.37 1.0 0.02 0.02) = 0.150% HN LEU 67 - HB3 PRO 59 1.852% * 0.1504% (0.37 1.0 0.02 0.02) = 0.150% HN GLY 58 - HB2 PRO 104 1.852% * 0.1483% (0.36 1.0 0.02 2.69) = 0.148% HN LEU 67 - HB2 PRO 104 1.852% * 0.1473% (0.36 1.0 0.02 0.02) = 0.147% HN LYS+ 81 - HB2 PRO 104 1.852% * 0.1473% (0.36 1.0 0.02 0.02) = 0.147% HN SER 49 - HB3 PRO 59 1.852% * 0.1436% (0.35 1.0 0.02 0.02) = 0.144% HN THR 106 - HB2 PRO 59 1.852% * 0.0855% (0.21 1.0 0.02 0.02) = 0.086% HN THR 106 - HB3 PRO 59 1.852% * 0.0799% (0.20 1.0 0.02 0.02) = 0.080% HN ASP- 115 - HB2 PRO 59 1.852% * 0.0729% (0.18 1.0 0.02 0.02) = 0.073% HN ASP- 115 - HB3 PRO 59 1.852% * 0.0680% (0.17 1.0 0.02 0.02) = 0.068% HN VAL 105 - HB2 PRO 59 1.852% * 0.0668% (0.16 1.0 0.02 0.02) = 0.067% HN ASP- 115 - HB2 PRO 104 1.852% * 0.0666% (0.16 1.0 0.02 0.02) = 0.067% HN VAL 105 - HB3 PRO 59 1.852% * 0.0624% (0.15 1.0 0.02 0.02) = 0.062% HN GLY 58 - HB3 LYS+ 117 1.852% * 0.0582% (0.14 1.0 0.02 0.02) = 0.058% HN LYS+ 81 - HB3 LYS+ 117 1.852% * 0.0578% (0.14 1.0 0.02 0.02) = 0.058% HN LEU 67 - HB3 LYS+ 117 1.852% * 0.0578% (0.14 1.0 0.02 0.02) = 0.058% HN SER 49 - HB3 LYS+ 117 1.852% * 0.0552% (0.14 1.0 0.02 0.02) = 0.055% HN GLY 58 - HB2 LYS+ 117 1.852% * 0.0493% (0.12 1.0 0.02 0.02) = 0.049% HN LYS+ 81 - HB2 LYS+ 117 1.852% * 0.0490% (0.12 1.0 0.02 0.02) = 0.049% HN LEU 67 - HB2 LYS+ 117 1.852% * 0.0490% (0.12 1.0 0.02 0.02) = 0.049% HN SER 49 - HB2 LYS+ 117 1.852% * 0.0468% (0.12 1.0 0.02 0.02) = 0.047% HN GLU- 45 - HB2 PRO 59 1.852% * 0.0362% (0.09 1.0 0.02 0.02) = 0.036% HN GLY 58 - HB3 LYS+ 63 1.852% * 0.0349% (0.09 1.0 0.02 0.02) = 0.035% HN LEU 67 - HB3 LYS+ 63 1.852% * 0.0347% (0.09 1.0 0.02 0.02) = 0.035% HN LYS+ 81 - HB3 LYS+ 63 1.852% * 0.0347% (0.09 1.0 0.02 0.02) = 0.035% HN GLU- 45 - HB3 PRO 59 1.852% * 0.0338% (0.08 1.0 0.02 0.02) = 0.034% HN GLU- 45 - HB2 PRO 104 1.852% * 0.0331% (0.08 1.0 0.02 0.02) = 0.033% HN SER 49 - HB3 LYS+ 63 1.852% * 0.0331% (0.08 1.0 0.02 0.02) = 0.033% HN THR 106 - HB3 LYS+ 117 1.852% * 0.0307% (0.08 1.0 0.02 0.02) = 0.031% HN VAL 94 - HB3 LYS+ 117 1.852% * 0.0261% (0.06 1.0 0.02 0.02) = 0.026% HN ASP- 115 - HB3 LYS+ 117 1.852% * 0.0261% (0.06 1.0 0.02 0.02) = 0.026% HN THR 106 - HB2 LYS+ 117 1.852% * 0.0260% (0.06 1.0 0.02 0.02) = 0.026% HN VAL 105 - HB3 LYS+ 117 1.852% * 0.0240% (0.06 1.0 0.02 0.02) = 0.024% HN ASP- 115 - HB2 LYS+ 117 1.852% * 0.0222% (0.05 1.0 0.02 0.02) = 0.022% HN VAL 94 - HB2 LYS+ 117 1.852% * 0.0222% (0.05 1.0 0.02 0.02) = 0.022% HN VAL 105 - HB2 LYS+ 117 1.852% * 0.0203% (0.05 1.0 0.02 0.02) = 0.020% HN THR 106 - HB3 LYS+ 63 1.852% * 0.0184% (0.05 1.0 0.02 0.02) = 0.018% HN ASP- 115 - HB3 LYS+ 63 1.852% * 0.0157% (0.04 1.0 0.02 0.02) = 0.016% HN VAL 94 - HB3 LYS+ 63 1.852% * 0.0157% (0.04 1.0 0.02 0.02) = 0.016% HN VAL 105 - HB3 LYS+ 63 1.852% * 0.0144% (0.04 1.0 0.02 0.02) = 0.014% HN GLU- 45 - HB3 LYS+ 117 1.852% * 0.0130% (0.03 1.0 0.02 0.02) = 0.013% HN GLU- 45 - HB2 LYS+ 117 1.852% * 0.0110% (0.03 1.0 0.02 0.02) = 0.011% HN GLU- 45 - HB3 LYS+ 63 1.852% * 0.0078% (0.02 1.0 0.02 0.02) = 0.008% Not enough quality. Peak unassigned. Peak 3573 (8.42, 1.82, 32.48 ppm): 28 chemical-shift based assignments, quality = 0.23, support = 0.0197, residual support = 0.0384: HN GLU- 75 - HB3 LYS+ 117 3.571% * 5.5577% (0.29 0.02 0.02) = 5.558% kept HN CYS 123 - HB3 LYS+ 117 3.571% * 5.5577% (0.29 0.02 0.02) = 5.558% kept HN ARG+ 53 - HB3 LYS+ 117 3.571% * 5.3755% (0.29 0.02 0.02) = 5.375% kept HN GLU- 75 - HB3 PRO 116 3.571% * 5.0461% (0.27 0.02 0.02) = 5.046% kept HN CYS 123 - HB3 PRO 116 3.571% * 5.0461% (0.27 0.02 0.02) = 5.046% kept HN GLU- 75 - HB2 LYS+ 117 3.571% * 5.0288% (0.27 0.02 0.02) = 5.029% kept HN CYS 123 - HB2 LYS+ 117 3.571% * 5.0288% (0.27 0.02 0.02) = 5.029% kept HN GLU- 75 - HB2 PRO 59 3.571% * 4.9687% (0.26 0.02 0.02) = 4.969% kept HN CYS 123 - HB2 PRO 59 3.571% * 4.9687% (0.26 0.02 0.02) = 4.969% kept HN ARG+ 53 - HB3 PRO 116 3.571% * 4.8807% (0.26 0.02 0.02) = 4.881% kept HN ARG+ 53 - HB2 LYS+ 117 3.571% * 4.8639% (0.26 0.02 0.02) = 4.864% kept HN ARG+ 53 - HB2 PRO 59 3.571% * 4.8059% (0.25 0.02 0.02) = 4.806% kept HN GLU- 75 - HB3 LYS+ 63 3.571% * 4.1847% (0.22 0.02 0.02) = 4.185% kept HN CYS 123 - HB3 LYS+ 63 3.571% * 4.1847% (0.22 0.02 0.02) = 4.185% kept HN ARG+ 53 - HB3 LYS+ 63 3.571% * 4.0475% (0.21 0.02 0.02) = 4.047% kept HN GLU- 75 - HB3 PRO 59 3.571% * 3.9429% (0.21 0.02 0.02) = 3.943% kept HN CYS 123 - HB3 PRO 59 3.571% * 3.9429% (0.21 0.02 0.02) = 3.943% kept HN ARG+ 53 - HB3 PRO 59 3.571% * 3.8136% (0.20 0.02 0.02) = 3.814% kept HN CYS 123 - HB2 PRO 104 3.571% * 2.3708% (0.13 0.02 0.02) = 2.371% kept HN GLU- 75 - HB2 PRO 104 3.571% * 2.3708% (0.13 0.02 0.02) = 2.371% kept HN ARG+ 53 - HB2 PRO 104 3.571% * 2.2931% (0.12 0.02 0.02) = 2.293% kept HN LEU 74 - HB3 LYS+ 117 3.571% * 1.3797% (0.07 0.02 0.02) = 1.380% kept HN LEU 74 - HB3 PRO 116 3.571% * 1.2527% (0.07 0.02 0.02) = 1.253% kept HN LEU 74 - HB2 LYS+ 117 3.571% * 1.2484% (0.07 0.02 0.02) = 1.248% kept HN LEU 74 - HB2 PRO 59 3.571% * 1.2335% (0.07 0.02 0.02) = 1.233% kept HN LEU 74 - HB3 LYS+ 63 3.571% * 1.0388% (0.06 0.02 1.82) = 1.039% kept HN LEU 74 - HB3 PRO 59 3.571% * 0.9788% (0.05 0.02 0.02) = 0.979% HN LEU 74 - HB2 PRO 104 3.571% * 0.5885% (0.03 0.02 1.08) = 0.589% Not enough support, support cutoff is 0.25 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): 28 chemical-shift based assignments, quality = 0.309, support = 0.707, residual support = 0.954: HA ASP- 36 - HB3 PRO 35 3.571% * 41.5982% (0.12 1.59 2.16) = 41.598% kept HA THR 61 - HB3 LYS+ 55 3.571% * 15.6098% (0.57 0.13 0.02) = 15.610% kept HA ASN 119 - HB VAL 122 3.571% * 9.3779% (0.55 0.08 0.02) = 9.378% kept HA TYR 83 - HB3 LYS+ 55 3.571% * 2.9148% (0.69 0.02 0.24) = 2.915% kept HA ASN 89 - HB3 LYS+ 55 3.571% * 2.7881% (0.66 0.02 0.02) = 2.788% kept HA LYS+ 20 - HB2 PRO 116 3.571% * 2.7124% (0.03 0.49 0.55) = 2.712% kept HA ASN 119 - HB3 LYS+ 55 3.571% * 2.7087% (0.64 0.02 0.02) = 2.709% kept HA TYR 83 - HB VAL 122 3.571% * 2.4793% (0.59 0.02 0.89) = 2.479% kept HA LYS+ 20 - HB3 LYS+ 55 3.571% * 2.3824% (0.14 0.08 0.02) = 2.382% kept HA ASN 89 - HB VAL 122 3.571% * 2.3716% (0.56 0.02 0.02) = 2.372% kept HA THR 61 - HB VAL 122 3.571% * 2.0572% (0.49 0.02 0.02) = 2.057% kept HA ASP- 36 - HB3 LYS+ 55 3.571% * 1.5891% (0.38 0.02 0.02) = 1.589% kept HA LYS+ 120 - HB3 LYS+ 55 3.571% * 1.4701% (0.35 0.02 0.02) = 1.470% kept HA ASP- 36 - HB VAL 122 3.571% * 1.3517% (0.32 0.02 0.02) = 1.352% kept HA LYS+ 120 - HB VAL 122 3.571% * 1.2505% (0.30 0.02 0.13) = 1.251% kept HA TYR 83 - HB3 PRO 35 3.571% * 0.9628% (0.23 0.02 0.02) = 0.963% HA ASN 89 - HB3 PRO 35 3.571% * 0.9210% (0.22 0.02 0.02) = 0.921% HA ASN 119 - HB3 PRO 35 3.571% * 0.8947% (0.21 0.02 0.02) = 0.895% HA THR 61 - HB3 PRO 35 3.571% * 0.7989% (0.19 0.02 0.02) = 0.799% HA TYR 83 - HB2 PRO 116 3.571% * 0.5392% (0.13 0.02 0.02) = 0.539% HA ASN 89 - HB2 PRO 116 3.571% * 0.5158% (0.12 0.02 0.28) = 0.516% HA LYS+ 20 - HB VAL 122 3.571% * 0.5084% (0.12 0.02 0.02) = 0.508% HA ASN 119 - HB2 PRO 116 3.571% * 0.5011% (0.12 0.02 0.02) = 0.501% HA LYS+ 120 - HB3 PRO 35 3.571% * 0.4856% (0.12 0.02 0.02) = 0.486% HA THR 61 - HB2 PRO 116 3.571% * 0.4474% (0.11 0.02 0.02) = 0.447% HA ASP- 36 - HB2 PRO 116 3.571% * 0.2940% (0.07 0.02 0.02) = 0.294% HA LYS+ 120 - HB2 PRO 116 3.571% * 0.2720% (0.06 0.02 0.02) = 0.272% HA LYS+ 20 - HB3 PRO 35 3.571% * 0.1974% (0.05 0.02 0.02) = 0.197% Peak 3576 (3.85, 1.95, 32.81 ppm): 40 chemical-shift based assignments, quality = 0.24, support = 0.595, residual support = 1.53: O HD2 PRO 116 - HB2 PRO 116 2.500% * 25.6752% (0.03 10.0 1.00 1.17 3.07) = 25.675% kept HD3 PRO 86 - HB VAL 122 2.500% * 19.7567% (0.56 1.0 1.00 0.48 0.02) = 19.757% kept HD3 PRO 86 - HB2 PRO 116 2.500% * 11.7614% (0.15 1.0 1.00 1.10 5.32) = 11.761% kept T HA LYS+ 44 - HB3 LYS+ 55 2.500% * 6.4908% (0.44 1.0 10.00 0.02 0.02) = 6.491% kept HA VAL 87 - HB VAL 122 2.500% * 5.1838% (0.46 1.0 1.00 0.15 0.02) = 5.184% kept T HA LYS+ 44 - HB VAL 122 2.500% * 5.0459% (0.34 1.0 10.00 0.02 0.02) = 5.046% kept HD2 PRO 86 - HB VAL 122 2.500% * 3.1587% (0.09 1.0 1.00 0.48 0.02) = 3.159% kept HB2 SER 85 - HB VAL 122 2.500% * 3.1511% (0.28 1.0 1.00 0.15 0.02) = 3.151% kept HA VAL 87 - HB2 PRO 116 2.500% * 3.0860% (0.12 1.0 1.00 0.35 0.02) = 3.086% kept HD2 PRO 86 - HB2 PRO 116 2.500% * 1.8804% (0.02 1.0 1.00 1.10 5.32) = 1.880% kept HB2 SER 85 - HB2 PRO 116 2.500% * 1.8759% (0.07 1.0 1.00 0.35 0.02) = 1.876% kept HD3 PRO 86 - HB3 PRO 35 2.500% * 1.7477% (0.28 1.0 1.00 0.08 0.02) = 1.748% kept HA VAL 87 - HB3 PRO 35 2.500% * 1.5608% (0.24 1.0 1.00 0.09 0.02) = 1.561% kept T HA LYS+ 44 - HB2 PRO 116 2.500% * 1.3237% (0.09 1.0 10.00 0.02 0.02) = 1.324% kept HD3 PRO 86 - HB3 LYS+ 55 2.500% * 1.0533% (0.72 1.0 1.00 0.02 0.02) = 1.053% kept HB3 SER 88 - HB3 LYS+ 55 2.500% * 0.9788% (0.67 1.0 1.00 0.02 0.02) = 0.979% HA VAL 87 - HB3 LYS+ 55 2.500% * 0.8739% (0.60 1.0 1.00 0.02 0.02) = 0.874% HB3 SER 88 - HB VAL 122 2.500% * 0.7609% (0.52 1.0 1.00 0.02 0.02) = 0.761% HB2 SER 85 - HB3 LYS+ 55 2.500% * 0.5312% (0.36 1.0 1.00 0.02 0.02) = 0.531% HA ILE 48 - HB3 LYS+ 55 2.500% * 0.5238% (0.36 1.0 1.00 0.02 0.02) = 0.524% HA ILE 48 - HB VAL 122 2.500% * 0.4072% (0.28 1.0 1.00 0.02 0.02) = 0.407% HB3 SER 88 - HB3 PRO 35 2.500% * 0.3871% (0.26 1.0 1.00 0.02 0.02) = 0.387% HA VAL 125 - HB3 LYS+ 55 2.500% * 0.2721% (0.19 1.0 1.00 0.02 0.02) = 0.272% HA LYS+ 44 - HB3 PRO 35 2.500% * 0.2567% (0.18 1.0 1.00 0.02 0.02) = 0.257% HD2 PRO 116 - HB3 LYS+ 55 2.500% * 0.2160% (0.15 1.0 1.00 0.02 0.02) = 0.216% HA VAL 125 - HB VAL 122 2.500% * 0.2116% (0.14 1.0 1.00 0.02 0.02) = 0.212% HB2 SER 85 - HB3 PRO 35 2.500% * 0.2101% (0.14 1.0 1.00 0.02 0.02) = 0.210% HA ILE 48 - HB3 PRO 35 2.500% * 0.2071% (0.14 1.0 1.00 0.02 0.02) = 0.207% HB3 SER 88 - HB2 PRO 116 2.500% * 0.1996% (0.14 1.0 1.00 0.02 0.24) = 0.200% HA2 GLY 92 - HB3 LYS+ 55 2.500% * 0.1911% (0.13 1.0 1.00 0.02 0.02) = 0.191% HD2 PRO 86 - HB3 LYS+ 55 2.500% * 0.1684% (0.12 1.0 1.00 0.02 0.02) = 0.168% HD2 PRO 116 - HB VAL 122 2.500% * 0.1679% (0.11 1.0 1.00 0.02 0.02) = 0.168% HA2 GLY 92 - HB VAL 122 2.500% * 0.1486% (0.10 1.0 1.00 0.02 0.02) = 0.149% HA VAL 125 - HB3 PRO 35 2.500% * 0.1076% (0.07 1.0 1.00 0.02 0.02) = 0.108% HA ILE 48 - HB2 PRO 116 2.500% * 0.1068% (0.07 1.0 1.00 0.02 0.02) = 0.107% HD2 PRO 116 - HB3 PRO 35 2.500% * 0.0854% (0.06 1.0 1.00 0.02 0.02) = 0.085% HA2 GLY 92 - HB3 PRO 35 2.500% * 0.0756% (0.05 1.0 1.00 0.02 0.02) = 0.076% HD2 PRO 86 - HB3 PRO 35 2.500% * 0.0666% (0.05 1.0 1.00 0.02 0.02) = 0.067% HA VAL 125 - HB2 PRO 116 2.500% * 0.0555% (0.04 1.0 1.00 0.02 0.02) = 0.055% HA2 GLY 92 - HB2 PRO 116 2.500% * 0.0390% (0.03 1.0 1.00 0.02 0.02) = 0.039% Peak 3577 (8.27, 2.26, 32.16 ppm): 10 chemical-shift based assignments, quality = 0.115, support = 0.538, residual support = 0.129: HN ASN 89 - HG3 MET 118 10.000% * 30.7003% (0.18 0.37 0.24) = 30.700% kept HN ALA 91 - HG3 MET 118 10.000% * 24.5660% (0.05 1.06 0.02) = 24.566% kept HN ASP- 28 - HB2 PRO 86 10.000% * 21.3656% (0.13 0.36 0.10) = 21.366% kept HN ASP- 115 - HB2 PRO 86 10.000% * 18.0567% (0.08 0.49 0.15) = 18.057% kept HN ASN 89 - HB2 PRO 86 10.000% * 1.6399% (0.18 0.02 0.02) = 1.640% kept HN ASP- 28 - HG3 MET 118 10.000% * 1.2138% (0.13 0.02 0.02) = 1.214% kept HN ASP- 115 - HG3 MET 118 10.000% * 0.7494% (0.08 0.02 0.34) = 0.749% HN THR 106 - HG3 MET 118 10.000% * 0.6273% (0.07 0.02 0.02) = 0.627% HN THR 106 - HB2 PRO 86 10.000% * 0.6210% (0.07 0.02 0.02) = 0.621% HN ALA 91 - HB2 PRO 86 10.000% * 0.4600% (0.05 0.02 0.02) = 0.460% Not enough quality. Peak unassigned. 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): 11 chemical-shift based assignments, quality = 0.11, support = 0.124, residual support = 0.0887: HB3 GLU- 75 - HB VAL 62 9.091% * 50.4693% (0.14 0.17 0.02) = 50.469% kept HA1 GLY 58 - HB VAL 62 9.091% * 11.3588% (0.02 0.22 0.40) = 11.359% kept HB VAL 65 - HB VAL 62 9.091% * 7.5484% (0.03 0.10 0.02) = 7.548% kept HB3 LYS+ 120 - HB VAL 62 9.091% * 6.3367% (0.15 0.02 0.02) = 6.337% kept HG3 ARG+ 53 - HB VAL 62 9.091% * 5.9677% (0.14 0.02 0.02) = 5.968% kept HD3 LYS+ 110 - HB VAL 62 9.091% * 4.4407% (0.11 0.02 0.02) = 4.441% kept HB2 LYS+ 110 - HB VAL 62 9.091% * 3.9210% (0.09 0.02 0.02) = 3.921% kept HB2 LEU 43 - HB VAL 62 9.091% * 3.4012% (0.08 0.02 0.62) = 3.401% kept HB VAL 125 - HB VAL 62 9.091% * 3.1467% (0.07 0.02 0.02) = 3.147% kept HB2 GLU- 45 - HB VAL 62 9.091% * 1.7974% (0.04 0.02 0.34) = 1.797% kept HB VAL 87 - HB VAL 62 9.091% * 1.6120% (0.04 0.02 0.02) = 1.612% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3581 (0.96, 2.06, 32.18 ppm): 9 chemical-shift based assignments, quality = 0.0908, support = 2.16, residual support = 28.4: O QG2 VAL 62 - HB VAL 62 11.111% * 82.7824% (0.09 10.0 2.30 31.97) = 82.782% kept HG LEU 74 - HB VAL 62 11.111% * 8.8783% (0.11 1.0 1.66 2.56) = 8.878% kept HG3 LYS+ 63 - HB VAL 62 11.111% * 7.8659% (0.12 1.0 1.41 21.65) = 7.866% kept QG2 VAL 99 - HB VAL 62 11.111% * 0.1383% (0.14 1.0 0.02 0.02) = 0.138% HG12 ILE 68 - HB VAL 62 11.111% * 0.0946% (0.10 1.0 0.02 0.02) = 0.095% QG2 ILE 29 - HB VAL 62 11.111% * 0.0946% (0.10 1.0 0.02 0.02) = 0.095% HG12 ILE 29 - HB VAL 62 11.111% * 0.0769% (0.08 1.0 0.02 0.02) = 0.077% QG1 VAL 105 - HB VAL 62 11.111% * 0.0365% (0.04 1.0 0.02 0.02) = 0.036% QD1 LEU 17 - HB VAL 62 11.111% * 0.0326% (0.03 1.0 0.02 0.02) = 0.033% Peak 3582 (0.75, 2.06, 32.18 ppm): 6 chemical-shift based assignments, quality = 0.0402, support = 1.43, residual support = 2.24: HG LEU 74 - HB VAL 62 16.667% * 85.6199% (0.03 1.66 2.56) = 85.620% kept HG3 LYS+ 66 - HB VAL 62 16.667% * 4.1332% (0.12 0.02 0.02) = 4.133% kept HG3 LYS+ 44 - HB VAL 62 16.667% * 4.1332% (0.12 0.02 1.00) = 4.133% kept HG12 ILE 100 - HB VAL 62 16.667% * 2.5125% (0.07 0.02 0.11) = 2.512% kept QD1 ILE 68 - HB VAL 62 16.667% * 2.3142% (0.07 0.02 0.02) = 2.314% kept QG2 VAL 40 - HB VAL 62 16.667% * 1.2871% (0.04 0.02 0.02) = 1.287% kept Not enough quality. Peak unassigned. 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 = 0.355, support = 3.19, residual support = 16.5: O HD2 PRO 104 - HB3 PRO 104 25.000% * 62.5050% (0.22 10.0 3.68 22.65) = 62.505% kept HA ILE 48 - HB3 PRO 104 25.000% * 22.4580% (0.66 1.0 2.39 7.08) = 22.458% kept HD2 PRO 112 - HB3 PRO 104 25.000% * 15.0023% (0.45 1.0 2.36 4.76) = 15.002% kept HD2 PRO 31 - HB3 PRO 104 25.000% * 0.0347% (0.12 1.0 0.02 0.02) = 0.035% Peak 3599 (3.76, 1.85, 32.26 ppm): 5 chemical-shift based assignments, quality = 0.555, support = 3.76, residual support = 20.8: O HD3 PRO 104 - HB2 PRO 104 20.000% * 88.1906% (0.52 10.0 4.03 22.65) = 88.191% kept HA ILE 48 - HB2 PRO 104 20.000% * 11.5771% (0.80 1.0 1.72 7.08) = 11.577% kept HB3 SER 27 - HB2 PRO 104 20.000% * 0.1544% (0.92 1.0 0.02 0.02) = 0.154% HA LEU 43 - HB2 PRO 104 20.000% * 0.0433% (0.26 1.0 0.02 0.02) = 0.043% HA LYS+ 44 - HB2 PRO 104 20.000% * 0.0346% (0.21 1.0 0.02 0.02) = 0.035% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3603 (1.96, 2.58, 32.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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 (0.68) kept HB2 PRO 86 - HB2 PRO 86 (0.09) kept Peak 3606 (1.96, 1.95, 32.25 ppm): 1 diagonal assignment: HB2 PRO 116 - HB2 PRO 116 (0.13) kept Peak 3607 (1.96, 2.32, 32.25 ppm): 22 chemical-shift based assignments, quality = 0.406, support = 1.76, residual support = 4.85: T HB2 PRO 116 - HB3 PRO 86 4.545% * 56.5998% (0.30 10.00 2.13 5.32) = 56.600% kept HG3 PRO 116 - HB3 PRO 86 4.545% * 15.5606% (0.89 1.00 1.88 5.32) = 15.561% kept T HB2 PRO 116 - HB2 PRO 86 4.545% * 11.6761% (0.14 10.00 0.93 5.32) = 11.676% kept HG3 PRO 116 - HB2 PRO 86 4.545% * 7.1775% (0.40 1.00 1.94 5.32) = 7.177% kept HB3 LYS+ 55 - HB3 PRO 86 4.545% * 2.2111% (0.75 1.00 0.32 0.02) = 2.211% kept HB VAL 122 - HB3 PRO 86 4.545% * 1.9441% (0.88 1.00 0.24 0.02) = 1.944% kept HB3 GLU- 109 - HB3 PRO 86 4.545% * 1.9375% (0.86 1.00 0.24 0.02) = 1.937% kept HB VAL 122 - HB2 PRO 86 4.545% * 0.8809% (0.39 1.00 0.24 0.02) = 0.881% HB3 GLU- 109 - HB2 PRO 86 4.545% * 0.8743% (0.38 1.00 0.25 0.02) = 0.874% HB2 GLU- 75 - HB2 PRO 86 4.545% * 0.2058% (0.26 1.00 0.09 0.02) = 0.206% HB VAL 73 - HB2 PRO 86 4.545% * 0.1930% (0.24 1.00 0.09 0.02) = 0.193% HG3 PRO 31 - HB3 PRO 86 4.545% * 0.1439% (0.78 1.00 0.02 0.02) = 0.144% HB2 GLU- 75 - HB3 PRO 86 4.545% * 0.1073% (0.58 1.00 0.02 0.02) = 0.107% HB VAL 73 - HB3 PRO 86 4.545% * 0.1006% (0.54 1.00 0.02 0.02) = 0.101% HG3 PRO 104 - HB3 PRO 86 4.545% * 0.0873% (0.47 1.00 0.02 0.02) = 0.087% HG2 PRO 112 - HB3 PRO 86 4.545% * 0.0682% (0.37 1.00 0.02 0.02) = 0.068% HG3 PRO 31 - HB2 PRO 86 4.545% * 0.0640% (0.34 1.00 0.02 0.02) = 0.064% HB3 LYS+ 55 - HB2 PRO 86 4.545% * 0.0617% (0.33 1.00 0.02 0.02) = 0.062% HG3 PRO 104 - HB2 PRO 86 4.545% * 0.0388% (0.21 1.00 0.02 0.02) = 0.039% HG2 PRO 112 - HB2 PRO 86 4.545% * 0.0303% (0.16 1.00 0.02 0.02) = 0.030% HB ILE 29 - HB3 PRO 86 4.545% * 0.0256% (0.14 1.00 0.02 0.02) = 0.026% HB ILE 29 - HB2 PRO 86 4.545% * 0.0114% (0.06 1.00 0.02 0.02) = 0.011% 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 = 0.666, support = 4.67, residual support = 20.5: HN THR 79 - HB2 LYS+ 78 50.000% * 90.0687% (0.67 5.12 22.77) = 90.069% kept HN GLY 30 - HB2 LYS+ 78 50.000% * 9.9313% (0.63 0.60 0.02) = 9.931% kept Peak 3610 (7.59, 2.40, 34.10 ppm): 5 chemical-shift based assignments, quality = 0.633, support = 5.4, residual support = 29.3: O HN LYS+ 78 - HB2 LYS+ 78 20.000% * 99.8664% (0.63 10.0 5.41 29.38) = 99.866% kept HN ASP- 25 - HB2 LYS+ 78 20.000% * 0.0586% (0.37 1.0 0.02 0.02) = 0.059% HD22 ASN 119 - HB2 LYS+ 78 20.000% * 0.0278% (0.18 1.0 0.02 0.02) = 0.028% HN VAL 65 - HB2 LYS+ 78 20.000% * 0.0278% (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) = 0.020% Peak 3611 (6.71, 2.40, 34.10 ppm): 1 chemical-shift based assignment, quality = 0.197, support = 1.18, residual support = 3.22: T QE TYR 83 - HB2 LYS+ 78 100.000% *100.0000% (0.20 10.00 1.18 3.22) = 100.000% kept Not enough quality. Peak unassigned. Peak 3612 (4.56, 2.40, 34.10 ppm): 5 chemical-shift based assignments, quality = 0.536, support = 1.66, residual support = 22.1: HA THR 79 - HB2 LYS+ 78 20.000% * 97.1040% (0.54 1.71 22.77) = 97.104% kept HA LYS+ 72 - HB2 LYS+ 78 20.000% * 1.1330% (0.54 0.02 0.02) = 1.133% kept HA LEU 17 - HB2 LYS+ 78 20.000% * 1.0766% (0.51 0.02 0.02) = 1.077% kept HA ALA 103 - HB2 LYS+ 78 20.000% * 0.4576% (0.22 0.02 0.02) = 0.458% HA ASP- 25 - HB2 LYS+ 78 20.000% * 0.2288% (0.11 0.02 0.02) = 0.229% 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): 8 chemical-shift based assignments, quality = 0.38, support = 1.18, residual support = 3.01: HE22 GLN 102 - HG3 MET 126 12.500% * 87.3397% (0.42 1.30 3.44) = 87.340% kept HZ PHE 34 - HG3 MET 126 12.500% * 5.9865% (0.10 0.37 0.02) = 5.986% kept QE PHE 34 - HG3 MET 126 12.500% * 5.9865% (0.10 0.37 0.02) = 5.986% kept HZ2 TRP 51 - HG3 MET 126 12.500% * 0.3235% (0.10 0.02 0.02) = 0.323% HE22 GLN 102 - HB2 LYS+ 113 12.500% * 0.2111% (0.07 0.02 0.02) = 0.211% QE PHE 34 - HB2 LYS+ 113 12.500% * 0.0509% (0.02 0.02 0.02) = 0.051% HZ PHE 34 - HB2 LYS+ 113 12.500% * 0.0509% (0.02 0.02 0.02) = 0.051% HZ2 TRP 51 - HB2 LYS+ 113 12.500% * 0.0509% (0.02 0.02 0.02) = 0.051% Peak 3615 (8.19, 2.24, 33.78 ppm): 10 chemical-shift based assignments, quality = 0.323, support = 0.258, residual support = 0.0265: HN LYS+ 117 - HG3 MET 126 10.000% * 57.6302% (0.30 0.36 0.02) = 57.630% kept HN ALA 33 - HG3 MET 126 10.000% * 32.1317% (0.40 0.15 0.02) = 32.132% kept HN ASN 119 - HG3 MET 126 10.000% * 4.7540% (0.44 0.02 0.17) = 4.754% kept HN SER 41 - HG3 MET 126 10.000% * 1.8488% (0.17 0.02 0.02) = 1.849% kept HN GLU- 45 - HG3 MET 126 10.000% * 1.2283% (0.11 0.02 0.02) = 1.228% kept HN ASN 119 - HB2 LYS+ 113 10.000% * 0.7484% (0.07 0.02 0.02) = 0.748% HN ALA 33 - HB2 LYS+ 113 10.000% * 0.6726% (0.06 0.02 0.02) = 0.673% HN LYS+ 117 - HB2 LYS+ 113 10.000% * 0.5016% (0.05 0.02 0.02) = 0.502% HN SER 41 - HB2 LYS+ 113 10.000% * 0.2910% (0.03 0.02 0.02) = 0.291% HN GLU- 45 - HB2 LYS+ 113 10.000% * 0.1934% (0.02 0.02 0.02) = 0.193% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 3616 (7.36, 2.11, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.191, support = 1.4, residual support = 24.0: O HE22 GLN 102 - HG3 GLN 102 25.000% * 99.8970% (0.19 10.0 1.40 24.03) = 99.897% kept HZ2 TRP 51 - HG3 GLN 102 25.000% * 0.0343% (0.05 1.0 0.02 0.02) = 0.034% QE PHE 34 - HG3 GLN 102 25.000% * 0.0343% (0.05 1.0 0.02 0.02) = 0.034% HZ PHE 34 - HG3 GLN 102 25.000% * 0.0343% (0.05 1.0 0.02 0.02) = 0.034% Peak 3617 (8.19, 2.11, 33.78 ppm): 5 chemical-shift based assignments, quality = 0.154, support = 0.02, residual support = 0.437: HN ASN 119 - HG3 GLN 102 20.000% * 31.0905% (0.20 0.02 0.02) = 31.090% kept HN ALA 33 - HG3 GLN 102 20.000% * 27.9449% (0.18 0.02 1.51) = 27.945% kept HN LYS+ 117 - HG3 GLN 102 20.000% * 20.8406% (0.13 0.02 0.02) = 20.841% kept HN SER 41 - HG3 GLN 102 20.000% * 12.0910% (0.08 0.02 0.02) = 12.091% kept HN GLU- 45 - HG3 GLN 102 20.000% * 8.0331% (0.05 0.02 0.02) = 8.033% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3618 (8.92, 2.11, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.15, support = 3.31, residual support = 23.9: HN GLN 102 - HG3 GLN 102 25.000% * 99.2814% (0.15 3.33 24.03) = 99.281% kept HN PHE 21 - HG3 GLN 102 25.000% * 0.3079% (0.08 0.02 0.02) = 0.308% HN THR 96 - HG3 GLN 102 25.000% * 0.2281% (0.06 0.02 0.02) = 0.228% HN ARG+ 22 - HG3 GLN 102 25.000% * 0.1826% (0.05 0.02 0.02) = 0.183% Peak 3619 (9.07, 1.85, 34.49 ppm): 4 chemical-shift based assignments, quality = 0.946, support = 1.36, residual support = 5.29: O HN LYS+ 66 - HB2 LYS+ 66 25.000% * 99.3377% (0.95 10.0 1.37 5.32) = 99.338% kept HN GLU- 54 - HB2 LYS+ 66 25.000% * 0.5808% (0.93 1.0 0.08 0.02) = 0.581% HN LYS+ 66 - HB3 LYS+ 72 25.000% * 0.0412% (0.27 1.0 0.02 0.02) = 0.041% HN GLU- 54 - HB3 LYS+ 72 25.000% * 0.0403% (0.27 1.0 0.02 0.02) = 0.040% Peak 3620 (6.65, 2.11, 33.78 ppm): 1 chemical-shift based assignment, quality = 0.196, support = 1.4, residual support = 24.0: O HE21 GLN 102 - HG3 GLN 102 100.000% *100.0000% (0.20 10.0 1.40 24.03) = 100.000% kept Peak 3621 (6.66, 2.24, 33.78 ppm): 2 chemical-shift based assignments, quality = 0.221, support = 0.994, residual support = 3.43: HE21 GLN 102 - HG3 MET 126 50.000% * 99.6852% (0.22 1.00 3.44) = 99.685% kept HE21 GLN 102 - HB2 LYS+ 113 50.000% * 0.3148% (0.03 0.02 0.02) = 0.315% Peak 3622 (-0.03, 1.85, 33.99 ppm): 1 chemical-shift based assignment, quality = 0.105, support = 0.108, residual support = 0.108: T QD1 LEU 74 - HB3 LYS+ 72 100.000% *100.0000% (0.10 10.00 0.11 0.11) = 100.000% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3623 (0.01, 2.21, 34.10 ppm): 4 chemical-shift based assignments, quality = 0.526, support = 0.67, residual support = 0.0234: QG2 ILE 19 - HG3 MET 126 25.000% * 94.9338% (0.53 0.70 0.02) = 94.934% kept QG2 ILE 19 - HB VAL 99 25.000% * 2.4742% (0.49 0.02 0.16) = 2.474% kept QG2 ILE 19 - HG2 MET 126 25.000% * 1.9668% (0.39 0.02 0.02) = 1.967% kept QG2 ILE 19 - HG2 GLN 102 25.000% * 0.6252% (0.12 0.02 0.02) = 0.625% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3626 (8.25, 1.67, 33.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3627 (3.68, 1.67, 33.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3628 (1.67, 1.67, 33.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3629 (7.76, 2.58, 32.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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 = 0.691, support = 4.33, residual support = 37.0: O HN LYS+ 20 - HB3 LYS+ 20 20.000% * 99.8723% (0.69 10.0 4.34 37.06) = 99.872% kept HN THR 39 - HB3 LYS+ 20 20.000% * 0.0425% (0.29 1.0 0.02 0.02) = 0.043% HN VAL 80 - HB3 LYS+ 20 20.000% * 0.0388% (0.27 1.0 0.02 0.02) = 0.039% HN VAL 73 - HB3 LYS+ 20 20.000% * 0.0258% (0.18 1.0 0.02 0.02) = 0.026% HN SER 85 - HB3 LYS+ 20 20.000% * 0.0205% (0.14 1.0 0.02 0.02) = 0.020% Peak 3635 (4.96, 1.37, 36.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3636 (3.48, 1.37, 36.77 ppm): 6 chemical-shift based assignments, quality = 0.584, support = 2.93, residual support = 9.65: T HD3 PRO 31 - HB3 LYS+ 20 16.667% * 90.1695% (0.60 10.00 2.99 10.54) = 90.169% kept HA1 GLY 30 - HB3 LYS+ 20 16.667% * 7.8310% (0.37 1.00 2.86 1.87) = 7.831% kept HA1 GLY 71 - HB3 LYS+ 20 16.667% * 1.9035% (0.58 1.00 0.44 0.02) = 1.904% kept HA VAL 80 - HB3 LYS+ 20 16.667% * 0.0390% (0.26 1.00 0.02 0.02) = 0.039% HA ILE 48 - HB3 LYS+ 20 16.667% * 0.0310% (0.21 1.00 0.02 0.02) = 0.031% HB3 SER 69 - HB3 LYS+ 20 16.667% * 0.0259% (0.17 1.00 0.02 0.02) = 0.026% Peak 3637 (1.95, 1.37, 36.77 ppm): 12 chemical-shift based assignments, quality = 0.478, support = 1.37, residual support = 3.02: T HB2 PRO 116 - HB3 LYS+ 20 8.333% * 59.8059% (0.39 10.00 1.02 0.55) = 59.806% kept HG3 PRO 31 - HB3 LYS+ 20 8.333% * 25.0821% (0.69 1.00 2.45 10.54) = 25.082% kept HG3 PRO 116 - HB3 LYS+ 20 8.333% * 6.8479% (0.64 1.00 0.72 0.55) = 6.848% kept HB ILE 29 - HB3 LYS+ 20 8.333% * 5.4114% (0.21 1.00 1.70 0.13) = 5.411% kept T HB3 LYS+ 55 - HB3 LYS+ 20 8.333% * 2.0212% (0.68 10.00 0.02 0.02) = 2.021% kept HB2 GLU- 75 - HB3 LYS+ 20 8.333% * 0.1789% (0.60 1.00 0.02 0.02) = 0.179% HB VAL 122 - HB3 LYS+ 20 8.333% * 0.1722% (0.58 1.00 0.02 0.02) = 0.172% HB3 GLU- 109 - HB3 LYS+ 20 8.333% * 0.1651% (0.56 1.00 0.02 0.02) = 0.165% HG2 PRO 112 - HB3 LYS+ 20 8.333% * 0.1334% (0.45 1.00 0.02 0.02) = 0.133% HB VAL 73 - HB3 LYS+ 20 8.333% * 0.0774% (0.26 1.00 0.02 0.02) = 0.077% HG3 PRO 104 - HB3 LYS+ 20 8.333% * 0.0636% (0.21 1.00 0.02 0.02) = 0.064% HB3 PRO 35 - HB3 LYS+ 20 8.333% * 0.0408% (0.14 1.00 0.02 0.02) = 0.041% Peak 3638 (2.73, 1.37, 36.77 ppm): 4 chemical-shift based assignments, quality = 0.602, support = 2.37, residual support = 19.0: HE3 LYS+ 20 - HB3 LYS+ 20 25.000% * 45.9457% (0.53 3.15 37.06) = 45.946% kept HB3 PHE 21 - HB3 LYS+ 20 25.000% * 39.3284% (0.66 2.18 4.90) = 39.328% kept HA1 GLY 58 - HB3 LYS+ 20 25.000% * 9.9507% (0.67 0.54 0.02) = 9.951% kept HB3 ASP- 115 - HB3 LYS+ 20 25.000% * 4.7752% (0.70 0.25 0.02) = 4.775% kept Peak 3639 (1.14, 1.89, 37.09 ppm): 6 chemical-shift based assignments, quality = 0.526, support = 1.12, residual support = 2.23: HG LEU 74 - HG2 GLU- 18 16.667% * 42.1278% (0.56 1.50 2.48) = 42.128% kept QB ALA 33 - HG2 GLU- 18 16.667% * 25.0897% (0.54 0.92 1.59) = 25.090% kept HG3 LYS+ 32 - HG2 GLU- 18 16.667% * 23.7466% (0.54 0.87 1.19) = 23.747% kept QG2 THR 96 - HG2 GLU- 18 16.667% * 8.3913% (0.30 0.57 5.98) = 8.391% kept HD3 LYS+ 111 - HG2 GLU- 18 16.667% * 0.5045% (0.50 0.02 0.02) = 0.504% HG3 PRO 59 - HG2 GLU- 18 16.667% * 0.1403% (0.14 0.02 0.02) = 0.140% Peak 3640 (0.84, 1.89, 37.09 ppm): 13 chemical-shift based assignments, quality = 0.314, support = 0.995, residual support = 5.34: QD2 LEU 17 - HG2 GLU- 18 7.692% * 23.8820% (0.25 1.00 1.75 19.06) = 23.882% kept HG2 LYS+ 113 - HG2 GLU- 18 7.692% * 18.0433% (0.43 1.00 0.78 0.92) = 18.043% kept HG LEU 74 - HG2 GLU- 18 7.692% * 17.6475% (0.22 1.00 1.50 2.48) = 17.647% kept HG3 LYS+ 113 - HG2 GLU- 18 7.692% * 12.7448% (0.32 1.00 0.74 0.92) = 12.745% kept HB ILE 101 - HG2 GLU- 18 7.692% * 7.4944% (0.30 1.00 0.47 0.93) = 7.494% kept T QD1 ILE 29 - HG2 GLU- 18 7.692% * 5.9606% (0.55 10.00 0.02 0.02) = 5.961% kept QG1 VAL 94 - HG2 GLU- 18 7.692% * 5.3261% (0.39 1.00 0.26 0.02) = 5.326% kept HG3 LYS+ 117 - HG2 GLU- 18 7.692% * 5.1166% (0.39 1.00 0.24 0.02) = 5.117% kept QG2 ILE 100 - HG2 GLU- 18 7.692% * 2.8551% (0.10 1.00 0.54 0.02) = 2.855% kept HG2 LYS+ 117 - HG2 GLU- 18 7.692% * 0.5079% (0.47 1.00 0.02 0.02) = 0.508% QD2 LEU 90 - HG2 GLU- 18 7.692% * 0.2074% (0.19 1.00 0.02 0.02) = 0.207% QD1 LEU 90 - HG2 GLU- 18 7.692% * 0.1203% (0.11 1.00 0.02 0.02) = 0.120% QD2 LEU 67 - HG2 GLU- 18 7.692% * 0.0938% (0.09 1.00 0.02 0.02) = 0.094% Peak 3641 (0.68, 1.89, 37.09 ppm): 6 chemical-shift based assignments, quality = 0.469, support = 1.91, residual support = 4.18: QD1 ILE 19 - HG2 GLU- 18 16.667% * 54.3031% (0.45 2.28 4.32) = 54.303% kept HG12 ILE 19 - HG2 GLU- 18 16.667% * 42.2898% (0.50 1.59 4.32) = 42.290% kept QG2 VAL 94 - HG2 GLU- 18 16.667% * 2.4729% (0.49 0.10 0.02) = 2.473% kept QG1 VAL 62 - HG2 GLU- 18 16.667% * 0.5482% (0.52 0.02 0.02) = 0.548% HG LEU 67 - HG2 GLU- 18 16.667% * 0.2026% (0.19 0.02 0.02) = 0.203% HG2 PRO 59 - HG2 GLU- 18 16.667% * 0.1833% (0.17 0.02 0.02) = 0.183% Peak 3642 (0.39, 2.13, 36.88 ppm): 3 chemical-shift based assignments, quality = 0.376, support = 1.17, residual support = 1.45: QD1 ILE 48 - HG3 GLU- 56 33.333% * 70.2617% (0.44 1.29 1.45) = 70.262% kept HG13 ILE 48 - HG3 GLU- 56 33.333% * 22.0122% (0.15 1.16 1.45) = 22.012% kept HG12 ILE 48 - HG3 GLU- 56 33.333% * 7.7261% (0.44 0.14 1.45) = 7.726% kept Peak 3643 (4.23, 2.13, 36.90 ppm): 13 chemical-shift based assignments, quality = 0.197, support = 1.35, residual support = 3.46: O HA GLU- 56 - HG3 GLU- 56 7.692% * 63.2534% (0.09 10.0 1.75 5.32) = 63.253% kept HA SER 49 - HG3 GLU- 56 7.692% * 14.8244% (0.46 1.0 0.82 0.31) = 14.824% kept HB3 SER 49 - HG3 GLU- 56 7.692% * 11.3433% (0.37 1.0 0.78 0.31) = 11.343% kept HA GLU- 54 - HG3 GLU- 56 7.692% * 5.7655% (0.44 1.0 0.33 0.29) = 5.766% kept HA LYS+ 44 - HG3 GLU- 56 7.692% * 2.0875% (0.08 1.0 0.69 0.02) = 2.087% kept HA PRO 59 - HG3 GLU- 56 7.692% * 1.2435% (0.26 1.0 0.12 0.02) = 1.244% kept HA GLU- 18 - HG3 GLU- 56 7.692% * 0.3648% (0.46 1.0 0.02 0.02) = 0.365% HA ALA 42 - HG3 GLU- 56 7.692% * 0.3171% (0.40 1.0 0.02 0.02) = 0.317% HA LYS+ 110 - HG3 GLU- 56 7.692% * 0.3054% (0.38 1.0 0.02 0.02) = 0.305% HA LYS+ 108 - HG3 GLU- 56 7.692% * 0.1923% (0.24 1.0 0.02 0.02) = 0.192% HA GLU- 109 - HG3 GLU- 56 7.692% * 0.1372% (0.17 1.0 0.02 0.02) = 0.137% HA2 GLY 114 - HG3 GLU- 56 7.692% * 0.1016% (0.13 1.0 0.02 0.02) = 0.102% HA ASP- 82 - HG3 GLU- 56 7.692% * 0.0640% (0.08 1.0 0.02 0.02) = 0.064% Not enough quality. Peak unassigned. Peak 3644 (4.23, 2.46, 36.90 ppm): 26 chemical-shift based assignments, quality = 0.342, support = 1.4, residual support = 7.04: HA SER 49 - HG3 GLU- 45 3.846% * 23.7586% (0.60 1.00 0.66 0.02) = 23.759% kept HA LYS+ 44 - HG3 GLU- 45 3.846% * 20.0096% (0.10 1.00 3.35 22.09) = 20.010% kept HA SER 49 - HG2 GLU- 45 3.846% * 13.1892% (0.32 1.00 0.69 0.02) = 13.189% kept HA LYS+ 44 - HG2 GLU- 45 3.846% * 11.7858% (0.05 1.00 3.68 22.09) = 11.786% kept HA GLU- 54 - HG3 GLU- 45 3.846% * 11.3590% (0.58 1.00 0.32 0.02) = 11.359% kept T HA ALA 42 - HG3 GLU- 45 3.846% * 6.2952% (0.52 10.00 0.02 0.02) = 6.295% kept HB3 SER 49 - HG3 GLU- 45 3.846% * 3.4631% (0.48 1.00 0.12 0.02) = 3.463% kept T HA ALA 42 - HG2 GLU- 45 3.846% * 3.3696% (0.28 10.00 0.02 0.02) = 3.370% kept HB3 SER 49 - HG2 GLU- 45 3.846% * 1.9921% (0.26 1.00 0.13 0.02) = 1.992% kept HA GLU- 18 - HG3 GLU- 45 3.846% * 0.7241% (0.60 1.00 0.02 0.02) = 0.724% HA LYS+ 110 - HG3 GLU- 45 3.846% * 0.6062% (0.51 1.00 0.02 0.02) = 0.606% HA PRO 59 - HG3 GLU- 45 3.846% * 0.4109% (0.34 1.00 0.02 0.02) = 0.411% HA GLU- 18 - HG2 GLU- 45 3.846% * 0.3876% (0.32 1.00 0.02 0.02) = 0.388% HA LYS+ 108 - HG3 GLU- 45 3.846% * 0.3818% (0.32 1.00 0.02 0.02) = 0.382% HA GLU- 54 - HG2 GLU- 45 3.846% * 0.3749% (0.31 1.00 0.02 0.02) = 0.375% HA LYS+ 110 - HG2 GLU- 45 3.846% * 0.3245% (0.27 1.00 0.02 0.02) = 0.324% HA GLU- 109 - HG3 GLU- 45 3.846% * 0.2724% (0.23 1.00 0.02 0.02) = 0.272% HA PRO 59 - HG2 GLU- 45 3.846% * 0.2199% (0.18 1.00 0.02 0.02) = 0.220% HA LYS+ 108 - HG2 GLU- 45 3.846% * 0.2044% (0.17 1.00 0.02 0.02) = 0.204% HA2 GLY 114 - HG3 GLU- 45 3.846% * 0.2018% (0.17 1.00 0.02 0.02) = 0.202% HA GLU- 109 - HG2 GLU- 45 3.846% * 0.1458% (0.12 1.00 0.02 0.02) = 0.146% HA GLU- 56 - HG3 GLU- 45 3.846% * 0.1436% (0.12 1.00 0.02 0.87) = 0.144% HA ASP- 82 - HG3 GLU- 45 3.846% * 0.1271% (0.11 1.00 0.02 0.02) = 0.127% HA2 GLY 114 - HG2 GLU- 45 3.846% * 0.1080% (0.09 1.00 0.02 0.02) = 0.108% HA GLU- 56 - HG2 GLU- 45 3.846% * 0.0769% (0.06 1.00 0.02 0.87) = 0.077% HA ASP- 82 - HG2 GLU- 45 3.846% * 0.0680% (0.06 1.00 0.02 0.02) = 0.068% Peak 3645 (3.87, 2.46, 36.90 ppm): 20 chemical-shift based assignments, quality = 0.313, support = 3.08, residual support = 19.4: HA LYS+ 44 - HG3 GLU- 45 5.000% * 55.3925% (0.41 3.35 22.09) = 55.393% kept HA LYS+ 44 - HG2 GLU- 45 5.000% * 32.6265% (0.22 3.68 22.09) = 32.627% kept HA ILE 48 - HG3 GLU- 45 5.000% * 4.4378% (0.25 0.45 0.02) = 4.438% kept HA ILE 48 - HG2 GLU- 45 5.000% * 2.3754% (0.13 0.45 0.02) = 2.375% kept HD3 PRO 86 - HG3 GLU- 45 5.000% * 0.7742% (0.21 0.09 0.02) = 0.774% HB2 SER 85 - HG3 GLU- 45 5.000% * 0.4875% (0.61 0.02 0.02) = 0.487% HA VAL 125 - HG3 GLU- 45 5.000% * 0.4372% (0.54 0.02 0.02) = 0.437% HA VAL 87 - HG3 GLU- 45 5.000% * 0.4229% (0.52 0.02 0.28) = 0.423% HD3 PRO 86 - HG2 GLU- 45 5.000% * 0.4144% (0.11 0.09 0.02) = 0.414% HD2 PRO 116 - HG3 GLU- 45 5.000% * 0.4072% (0.51 0.02 0.02) = 0.407% HB3 SER 88 - HG3 GLU- 45 5.000% * 0.3726% (0.46 0.02 0.02) = 0.373% HD2 PRO 86 - HG3 GLU- 45 5.000% * 0.3726% (0.46 0.02 0.02) = 0.373% HB2 SER 85 - HG2 GLU- 45 5.000% * 0.2609% (0.32 0.02 0.02) = 0.261% HA VAL 125 - HG2 GLU- 45 5.000% * 0.2340% (0.29 0.02 0.02) = 0.234% HA VAL 87 - HG2 GLU- 45 5.000% * 0.2263% (0.28 0.02 0.28) = 0.226% HD2 PRO 116 - HG2 GLU- 45 5.000% * 0.2180% (0.27 0.02 0.02) = 0.218% HB3 SER 88 - HG2 GLU- 45 5.000% * 0.1994% (0.25 0.02 0.02) = 0.199% HD2 PRO 86 - HG2 GLU- 45 5.000% * 0.1994% (0.25 0.02 0.02) = 0.199% HB3 SER 77 - HG3 GLU- 45 5.000% * 0.0920% (0.11 0.02 0.02) = 0.092% HB3 SER 77 - HG2 GLU- 45 5.000% * 0.0493% (0.06 0.02 0.02) = 0.049% Peak 3646 (0.96, 2.46, 36.90 ppm): 18 chemical-shift based assignments, quality = 0.318, support = 0.867, residual support = 1.05: HG LEU 74 - HG3 GLU- 45 5.556% * 16.1754% (0.45 1.02 2.69) = 16.175% kept HG LEU 74 - HG2 GLU- 45 5.556% * 12.5748% (0.24 1.48 2.69) = 12.575% kept QG2 ILE 29 - HG3 GLU- 45 5.556% * 11.6879% (0.32 1.04 0.81) = 11.688% kept QG2 VAL 99 - HG3 GLU- 45 5.556% * 10.2531% (0.52 0.55 0.02) = 10.253% kept HG12 ILE 29 - HG3 GLU- 45 5.556% * 9.5780% (0.25 1.09 0.81) = 9.578% kept HG3 LYS+ 63 - HG3 GLU- 45 5.556% * 8.4963% (0.39 0.61 0.02) = 8.496% kept QG2 VAL 62 - HG3 GLU- 45 5.556% * 5.7797% (0.27 0.60 0.34) = 5.780% kept HG3 LYS+ 63 - HG2 GLU- 45 5.556% * 5.4207% (0.21 0.73 0.02) = 5.421% kept QG2 ILE 29 - HG2 GLU- 45 5.556% * 4.6635% (0.17 0.77 0.81) = 4.663% kept HG12 ILE 68 - HG3 GLU- 45 5.556% * 4.0134% (0.32 0.36 0.02) = 4.013% kept HG12 ILE 29 - HG2 GLU- 45 5.556% * 3.5586% (0.13 0.75 0.81) = 3.559% kept QG2 VAL 62 - HG2 GLU- 45 5.556% * 2.9658% (0.15 0.58 0.34) = 2.966% kept QG2 VAL 99 - HG2 GLU- 45 5.556% * 2.6318% (0.28 0.26 0.02) = 2.632% kept HG12 ILE 68 - HG2 GLU- 45 5.556% * 1.9840% (0.17 0.33 0.02) = 1.984% kept QG1 VAL 105 - HG3 GLU- 45 5.556% * 0.0751% (0.11 0.02 0.02) = 0.075% QD1 LEU 17 - HG3 GLU- 45 5.556% * 0.0662% (0.09 0.02 0.02) = 0.066% QG1 VAL 105 - HG2 GLU- 45 5.556% * 0.0402% (0.06 0.02 0.02) = 0.040% QD1 LEU 17 - HG2 GLU- 45 5.556% * 0.0354% (0.05 0.02 0.02) = 0.035% Peak 3647 (2.12, 2.46, 36.90 ppm): 20 chemical-shift based assignments, quality = 0.231, support = 1.15, residual support = 1.92: T HA1 GLY 58 - HG3 GLU- 45 5.000% * 38.4266% (0.13 10.00 2.07 3.06) = 38.427% kept T HG3 GLU- 56 - HG3 GLU- 45 5.000% * 28.6189% (0.42 10.00 0.47 0.87) = 28.619% kept T HG3 GLU- 56 - HG2 GLU- 45 5.000% * 14.1476% (0.22 10.00 0.43 0.87) = 14.148% kept T HA1 GLY 58 - HG2 GLU- 45 5.000% * 12.1491% (0.07 10.00 1.18 3.06) = 12.149% kept HB3 GLU- 75 - HG3 GLU- 45 5.000% * 2.5223% (0.53 1.00 0.32 0.02) = 2.522% kept HB2 ASP- 28 - HG3 GLU- 45 5.000% * 1.3287% (0.44 1.00 0.21 0.02) = 1.329% kept HB3 GLU- 75 - HG2 GLU- 45 5.000% * 1.0865% (0.29 1.00 0.26 0.02) = 1.087% kept HB3 LEU 43 - HG2 GLU- 45 5.000% * 0.9884% (0.21 1.00 0.32 0.02) = 0.988% HB VAL 47 - HG3 GLU- 45 5.000% * 0.1293% (0.44 1.00 0.02 0.02) = 0.129% HB3 LEU 43 - HG3 GLU- 45 5.000% * 0.1152% (0.39 1.00 0.02 0.02) = 0.115% HG3 GLN 102 - HG3 GLU- 45 5.000% * 0.0937% (0.32 1.00 0.02 0.02) = 0.094% HB VAL 47 - HG2 GLU- 45 5.000% * 0.0692% (0.24 1.00 0.02 0.02) = 0.069% HB2 ASP- 28 - HG2 GLU- 45 5.000% * 0.0692% (0.24 1.00 0.02 0.02) = 0.069% HG3 GLN 102 - HG2 GLU- 45 5.000% * 0.0501% (0.17 1.00 0.02 0.02) = 0.050% HB3 LYS+ 78 - HG3 GLU- 45 5.000% * 0.0495% (0.17 1.00 0.02 0.02) = 0.050% HB VAL 65 - HG3 GLU- 45 5.000% * 0.0444% (0.15 1.00 0.02 0.02) = 0.044% HB VAL 87 - HG3 GLU- 45 5.000% * 0.0396% (0.13 1.00 0.02 0.28) = 0.040% HB3 LYS+ 78 - HG2 GLU- 45 5.000% * 0.0265% (0.09 1.00 0.02 0.02) = 0.027% HB VAL 65 - HG2 GLU- 45 5.000% * 0.0238% (0.08 1.00 0.02 0.02) = 0.024% HB VAL 87 - HG2 GLU- 45 5.000% * 0.0212% (0.07 1.00 0.02 0.28) = 0.021% Peak 3648 (2.46, 2.46, 36.90 ppm): 1 diagonal assignment: HG3 GLU- 45 - HG3 GLU- 45 (0.21) kept Peak 3649 (2.13, 2.13, 36.97 ppm): 1 diagonal assignment: HG3 GLU- 56 - HG3 GLU- 56 (0.15) kept Peak 3650 (4.93, 2.21, 36.97 ppm): 18 chemical-shift based assignments, quality = 0.642, support = 0.593, residual support = 1.07: HA ALA 33 - HG3 GLU- 18 5.556% * 30.7847% (0.68 0.73 1.59) = 30.785% kept HA GLN 102 - HG3 GLU- 18 5.556% * 28.3924% (0.68 0.68 1.52) = 28.392% kept HA HIS+ 98 - HG3 GLU- 18 5.556% * 27.5527% (0.78 0.57 0.37) = 27.553% kept HA GLN 102 - HG3 GLU- 54 5.556% * 3.7046% (0.30 0.20 0.13) = 3.705% kept HA GLN 102 - HG3 GLU- 109 5.556% * 3.3193% (0.30 0.18 0.10) = 3.319% kept HA GLN 102 - HG3 GLU- 75 5.556% * 1.2985% (0.14 0.15 3.10) = 1.298% kept HA HIS+ 98 - HG3 GLU- 75 5.556% * 1.1835% (0.16 0.12 0.02) = 1.184% kept HA HIS+ 98 - HG3 GLU- 107 5.556% * 0.5395% (0.44 0.02 0.02) = 0.539% HA GLN 102 - HG3 GLU- 107 5.556% * 0.4680% (0.38 0.02 0.02) = 0.468% HA ALA 33 - HG3 GLU- 107 5.556% * 0.4680% (0.38 0.02 0.02) = 0.468% HA HIS+ 98 - HG3 GLU- 109 5.556% * 0.4312% (0.35 0.02 0.02) = 0.431% HA HIS+ 98 - HG3 GLU- 54 5.556% * 0.4250% (0.34 0.02 0.02) = 0.425% HA ALA 33 - HG3 GLU- 109 5.556% * 0.3741% (0.30 0.02 0.02) = 0.374% HA ALA 33 - HG3 GLU- 54 5.556% * 0.3686% (0.30 0.02 0.02) = 0.369% HA HIS+ 98 - HG2 GLU- 56 5.556% * 0.1884% (0.15 0.02 0.02) = 0.188% HA ALA 33 - HG3 GLU- 75 5.556% * 0.1747% (0.14 0.02 0.02) = 0.175% HA ALA 33 - HG2 GLU- 56 5.556% * 0.1634% (0.13 0.02 0.02) = 0.163% HA GLN 102 - HG2 GLU- 56 5.556% * 0.1634% (0.13 0.02 0.02) = 0.163% Peak 3651 (4.47, 2.21, 36.97 ppm): 54 chemical-shift based assignments, quality = 0.65, support = 0.57, residual support = 0.528: HA LYS+ 32 - HG3 GLU- 18 1.852% * 30.0288% (0.84 0.78 1.19) = 30.029% kept HA ILE 100 - HG3 GLU- 18 1.852% * 22.2823% (0.78 0.62 0.02) = 22.282% kept HA ILE 101 - HG3 GLU- 18 1.852% * 17.5576% (0.76 0.51 0.93) = 17.558% kept HA VAL 99 - HG3 GLU- 18 1.852% * 14.5254% (0.48 0.66 0.02) = 14.525% kept HA ILE 101 - HG3 GLU- 54 1.852% * 3.0691% (0.33 0.20 0.02) = 3.069% kept HA ILE 101 - HG3 GLU- 109 1.852% * 2.7498% (0.34 0.18 0.02) = 2.750% kept HA PRO 86 - HG3 GLU- 18 1.852% * 0.7469% (0.82 0.02 0.02) = 0.747% HA GLU- 50 - HG3 GLU- 18 1.852% * 0.5620% (0.62 0.02 0.14) = 0.562% HA LYS+ 32 - HG3 GLU- 107 1.852% * 0.4285% (0.47 0.02 0.02) = 0.428% HA PRO 86 - HG3 GLU- 107 1.852% * 0.4172% (0.46 0.02 0.02) = 0.417% HA ILE 100 - HG3 GLU- 107 1.852% * 0.3990% (0.44 0.02 0.02) = 0.399% HA ILE 101 - HG3 GLU- 107 1.852% * 0.3877% (0.42 0.02 0.02) = 0.388% HA LYS+ 32 - HG3 GLU- 109 1.852% * 0.3425% (0.38 0.02 0.02) = 0.342% HA LYS+ 32 - HG3 GLU- 54 1.852% * 0.3375% (0.37 0.02 0.02) = 0.338% HA PRO 86 - HG3 GLU- 109 1.852% * 0.3335% (0.37 0.02 0.02) = 0.333% HA PRO 86 - HG3 GLU- 54 1.852% * 0.3286% (0.36 0.02 0.02) = 0.329% HA ILE 100 - HG3 GLU- 109 1.852% * 0.3190% (0.35 0.02 0.02) = 0.319% HA ASN 76 - HG3 GLU- 18 1.852% * 0.3182% (0.35 0.02 0.02) = 0.318% HA ILE 100 - HG3 GLU- 54 1.852% * 0.3143% (0.34 0.02 0.02) = 0.314% HA GLU- 50 - HG3 GLU- 107 1.852% * 0.3139% (0.34 0.02 0.02) = 0.314% HA GLU- 50 - HG3 GLU- 109 1.852% * 0.2509% (0.27 0.02 0.02) = 0.251% HA GLU- 50 - HG3 GLU- 54 1.852% * 0.2473% (0.27 0.02 0.23) = 0.247% HA VAL 99 - HG3 GLU- 107 1.852% * 0.2447% (0.27 0.02 0.02) = 0.245% HA VAL 99 - HG3 GLU- 109 1.852% * 0.1956% (0.21 0.02 0.02) = 0.196% HA CYS 123 - HG3 GLU- 18 1.852% * 0.1930% (0.21 0.02 0.02) = 0.193% HA VAL 99 - HG3 GLU- 54 1.852% * 0.1928% (0.21 0.02 0.02) = 0.193% HA ASN 76 - HG3 GLU- 107 1.852% * 0.1777% (0.19 0.02 0.02) = 0.178% HA LYS+ 32 - HG3 GLU- 75 1.852% * 0.1599% (0.18 0.02 0.02) = 0.160% HA PRO 86 - HG3 GLU- 75 1.852% * 0.1557% (0.17 0.02 0.02) = 0.156% HA LYS+ 32 - HG2 GLU- 56 1.852% * 0.1496% (0.16 0.02 0.02) = 0.150% HA ILE 100 - HG3 GLU- 75 1.852% * 0.1490% (0.16 0.02 0.02) = 0.149% HA PRO 86 - HG2 GLU- 56 1.852% * 0.1457% (0.16 0.02 0.02) = 0.146% HA ILE 101 - HG3 GLU- 75 1.852% * 0.1447% (0.16 0.02 3.18) = 0.145% HA ASN 76 - HG3 GLU- 109 1.852% * 0.1421% (0.16 0.02 0.02) = 0.142% HA ASN 76 - HG3 GLU- 54 1.852% * 0.1400% (0.15 0.02 0.02) = 0.140% HA ILE 100 - HG2 GLU- 56 1.852% * 0.1393% (0.15 0.02 0.02) = 0.139% HA SER 77 - HG3 GLU- 18 1.852% * 0.1355% (0.15 0.02 0.02) = 0.136% HA ILE 101 - HG2 GLU- 56 1.852% * 0.1354% (0.15 0.02 0.02) = 0.135% HA GLU- 50 - HG3 GLU- 75 1.852% * 0.1172% (0.13 0.02 0.02) = 0.117% HA GLU- 50 - HG2 GLU- 56 1.852% * 0.1096% (0.12 0.02 0.02) = 0.110% HA CYS 123 - HG3 GLU- 107 1.852% * 0.1078% (0.12 0.02 0.02) = 0.108% HA VAL 99 - HG3 GLU- 75 1.852% * 0.0914% (0.10 0.02 0.02) = 0.091% HA CYS 123 - HG3 GLU- 109 1.852% * 0.0862% (0.09 0.02 0.02) = 0.086% HA VAL 99 - HG2 GLU- 56 1.852% * 0.0855% (0.09 0.02 0.02) = 0.085% HA CYS 123 - HG3 GLU- 54 1.852% * 0.0849% (0.09 0.02 0.02) = 0.085% HA SER 77 - HG3 GLU- 107 1.852% * 0.0757% (0.08 0.02 0.02) = 0.076% HA ASN 76 - HG3 GLU- 75 1.852% * 0.0663% (0.07 0.02 0.18) = 0.066% HA ASN 76 - HG2 GLU- 56 1.852% * 0.0621% (0.07 0.02 0.02) = 0.062% HA SER 77 - HG3 GLU- 109 1.852% * 0.0605% (0.07 0.02 0.02) = 0.061% HA SER 77 - HG3 GLU- 54 1.852% * 0.0596% (0.07 0.02 0.02) = 0.060% HA CYS 123 - HG3 GLU- 75 1.852% * 0.0402% (0.04 0.02 0.02) = 0.040% HA CYS 123 - HG2 GLU- 56 1.852% * 0.0376% (0.04 0.02 0.02) = 0.038% HA SER 77 - HG3 GLU- 75 1.852% * 0.0283% (0.03 0.02 0.02) = 0.028% HA SER 77 - HG2 GLU- 56 1.852% * 0.0264% (0.03 0.02 0.02) = 0.026% Peak 3652 (4.93, 1.89, 37.06 ppm): 3 chemical-shift based assignments, quality = 0.543, support = 1.34, residual support = 1.27: HA ALA 33 - HG2 GLU- 18 33.333% * 43.5223% (0.52 1.69 1.59) = 43.522% kept HA GLN 102 - HG2 GLU- 18 33.333% * 32.1384% (0.52 1.25 1.52) = 32.138% kept HA HIS+ 98 - HG2 GLU- 18 33.333% * 24.3393% (0.60 0.82 0.37) = 24.339% kept Peak 3653 (4.46, 1.89, 37.06 ppm): 9 chemical-shift based assignments, quality = 0.622, support = 1.04, residual support = 0.626: HA LYS+ 32 - HG2 GLU- 18 11.111% * 32.9771% (0.62 1.65 1.19) = 32.977% kept HA ILE 101 - HG2 GLU- 18 11.111% * 23.0998% (0.65 1.10 0.93) = 23.100% kept HA ILE 100 - HG2 GLU- 18 11.111% * 13.8955% (0.65 0.66 0.02) = 13.895% kept HA VAL 99 - HG2 GLU- 18 11.111% * 10.5207% (0.55 0.60 0.02) = 10.521% kept HA GLU- 50 - HG2 GLU- 18 11.111% * 9.5930% (0.62 0.48 0.14) = 9.593% kept HA PRO 86 - HG2 GLU- 18 11.111% * 9.2844% (0.64 0.45 0.02) = 9.284% kept HA ASN 76 - HG2 GLU- 18 11.111% * 0.4906% (0.13 0.12 0.02) = 0.491% HB THR 24 - HG2 GLU- 18 11.111% * 0.0738% (0.11 0.02 0.02) = 0.074% HA LYS+ 111 - HG2 GLU- 18 11.111% * 0.0650% (0.10 0.02 0.02) = 0.065% Peak 3654 (1.28, 1.59, 36.44 ppm): 5 chemical-shift based assignments, quality = 0.426, support = 3.4, residual support = 36.2: O T HG2 LYS+ 32 - HB3 LYS+ 32 20.000% * 95.9407% (0.43 10.0 10.00 3.52 37.70) = 95.941% kept HG LEU 74 - HB3 LYS+ 32 20.000% * 2.8007% (0.36 1.0 1.00 0.69 0.37) = 2.801% kept HB2 LYS+ 55 - HB3 LYS+ 32 20.000% * 1.1429% (0.23 1.0 1.00 0.45 3.28) = 1.143% kept HB3 LEU 74 - HB3 LYS+ 32 20.000% * 0.0868% (0.39 1.0 1.00 0.02 0.37) = 0.087% QG2 THR 46 - HB3 LYS+ 32 20.000% * 0.0289% (0.13 1.0 1.00 0.02 0.02) = 0.029% Peak 3655 (1.13, 1.59, 36.44 ppm): 6 chemical-shift based assignments, quality = 0.457, support = 3.18, residual support = 33.4: O HG3 LYS+ 32 - HB3 LYS+ 32 16.667% * 83.4792% (0.46 10.0 3.27 37.70) = 83.479% kept QB ALA 33 - HB3 LYS+ 32 16.667% * 13.4055% (0.46 1.0 3.21 14.53) = 13.405% kept HG LEU 74 - HB3 LYS+ 32 16.667% * 2.9383% (0.47 1.0 0.69 0.37) = 2.938% kept HD3 LYS+ 111 - HB3 LYS+ 32 16.667% * 0.0852% (0.47 1.0 0.02 0.02) = 0.085% QG2 THR 96 - HB3 LYS+ 32 16.667% * 0.0682% (0.37 1.0 0.02 0.02) = 0.068% QG2 THR 61 - HB3 LYS+ 32 16.667% * 0.0237% (0.13 1.0 0.02 0.02) = 0.024% Peak 3656 (4.71, 2.05, 35.94 ppm): 3 chemical-shift based assignments, quality = 0.332, support = 2.52, residual support = 20.6: O HA PRO 31 - HB3 PRO 31 33.333% * 89.7040% (0.33 10.0 2.59 21.97) = 89.704% kept HA2 GLY 30 - HB3 PRO 31 33.333% * 10.2748% (0.39 1.0 1.92 9.09) = 10.275% kept HA THR 61 - HB3 PRO 31 33.333% * 0.0213% (0.08 1.0 0.02 0.02) = 0.021% Peak 3657 (4.47, 2.05, 35.94 ppm): 9 chemical-shift based assignments, quality = 0.319, support = 1.86, residual support = 6.57: HA LYS+ 32 - HB3 PRO 31 11.111% * 83.1878% (0.34 2.21 7.89) = 83.188% kept HA ILE 101 - HB3 PRO 31 11.111% * 7.7661% (0.27 0.26 0.02) = 7.766% kept HA ASN 76 - HB3 PRO 31 11.111% * 3.0756% (0.25 0.11 0.02) = 3.076% kept HA ILE 100 - HB3 PRO 31 11.111% * 2.5961% (0.28 0.08 0.02) = 2.596% kept HA SER 77 - HB3 PRO 31 11.111% * 1.5692% (0.13 0.11 0.02) = 1.569% kept HA PRO 86 - HB3 PRO 31 11.111% * 0.6960% (0.31 0.02 0.02) = 0.696% HA GLU- 50 - HB3 PRO 31 11.111% * 0.4231% (0.19 0.02 0.02) = 0.423% HA CYS 123 - HB3 PRO 31 11.111% * 0.3897% (0.17 0.02 0.02) = 0.390% HA VAL 99 - HB3 PRO 31 11.111% * 0.2965% (0.13 0.02 0.66) = 0.296% Peak 3658 (3.53, 2.05, 35.94 ppm): 1 chemical-shift based assignment, quality = 0.207, support = 0.812, residual support = 1.25: HA ILE 48 - HB3 PRO 31 100.000% *100.0000% (0.21 0.81 1.25) = 100.000% kept 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): 12 chemical-shift based assignments, quality = 0.506, support = 3.5, residual support = 18.1: O HG2 PRO 31 - HB3 PRO 31 8.333% * 82.0989% (0.51 10.0 1.00 4.18 21.97) = 82.099% kept T HB3 GLU- 18 - HB3 PRO 31 8.333% * 16.9876% (0.53 1.0 10.00 0.39 0.13) = 16.988% kept T HB2 ARG+ 84 - HB3 PRO 31 8.333% * 0.4104% (0.25 1.0 10.00 0.02 0.02) = 0.410% HB3 ARG+ 53 - HB3 PRO 31 8.333% * 0.0866% (0.53 1.0 1.00 0.02 0.02) = 0.087% HB3 PRO 116 - HB3 PRO 31 8.333% * 0.0845% (0.52 1.0 1.00 0.02 0.02) = 0.085% HB3 LYS+ 63 - HB3 PRO 31 8.333% * 0.0700% (0.43 1.0 1.00 0.02 0.02) = 0.070% HB3 LYS+ 113 - HB3 PRO 31 8.333% * 0.0518% (0.32 1.0 1.00 0.02 0.02) = 0.052% HB2 LYS+ 117 - HB3 PRO 31 8.333% * 0.0518% (0.32 1.0 1.00 0.02 0.02) = 0.052% HB3 LYS+ 108 - HB3 PRO 31 8.333% * 0.0482% (0.30 1.0 1.00 0.02 0.02) = 0.048% HB3 LYS+ 117 - HB3 PRO 31 8.333% * 0.0446% (0.27 1.0 1.00 0.02 0.02) = 0.045% HB3 LYS+ 44 - HB3 PRO 31 8.333% * 0.0344% (0.21 1.0 1.00 0.02 0.49) = 0.034% HB VAL 94 - HB3 PRO 31 8.333% * 0.0312% (0.19 1.0 1.00 0.02 0.02) = 0.031% Peak 3663 (1.36, 2.04, 35.72 ppm): 8 chemical-shift based assignments, quality = 0.543, support = 2.84, residual support = 7.07: HB3 LYS+ 20 - HB3 PRO 31 12.500% * 58.5768% (0.55 3.64 10.54) = 58.577% kept HG13 ILE 19 - HB3 PRO 31 12.500% * 32.6487% (0.53 2.10 2.74) = 32.649% kept QB ALA 91 - HB3 PRO 31 12.500% * 4.2060% (0.56 0.26 0.02) = 4.206% kept HG3 ARG+ 22 - HB3 PRO 31 12.500% * 3.8591% (0.54 0.24 0.02) = 3.859% kept HG2 LYS+ 78 - HB3 PRO 31 12.500% * 0.2255% (0.39 0.02 0.02) = 0.226% HG LEU 74 - HB3 PRO 31 12.500% * 0.1770% (0.30 0.02 0.02) = 0.177% QG2 THR 39 - HB3 PRO 31 12.500% * 0.1598% (0.27 0.02 0.02) = 0.160% HB2 LEU 17 - HB3 PRO 31 12.500% * 0.1472% (0.25 0.02 0.02) = 0.147% 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 = 0.432, support = 1.39, residual support = 2.0: HG12 ILE 19 - HB3 PRO 31 11.111% * 39.5469% (0.39 2.03 2.74) = 39.547% kept QD1 ILE 19 - HB3 PRO 31 11.111% * 33.0841% (0.45 1.46 2.74) = 33.084% kept HG LEU 67 - HB3 PRO 31 11.111% * 15.2162% (0.56 0.54 0.02) = 15.216% kept QG2 ILE 101 - HB3 PRO 31 11.111% * 5.6452% (0.43 0.26 0.02) = 5.645% kept QG2 VAL 94 - HB3 PRO 31 11.111% * 4.9187% (0.41 0.24 0.02) = 4.919% kept HG2 PRO 59 - HB3 PRO 31 11.111% * 0.5566% (0.55 0.02 0.02) = 0.557% QG1 VAL 62 - HB3 PRO 31 11.111% * 0.5385% (0.13 0.09 0.02) = 0.539% QG2 ILE 48 - HB3 PRO 31 11.111% * 0.3674% (0.36 0.02 1.25) = 0.367% QG2 VAL 40 - HB3 PRO 31 11.111% * 0.1264% (0.13 0.02 0.02) = 0.126% Peak 3667 (4.25, 2.87, 38.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3668 (3.81, 2.87, 38.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3669 (4.75, 2.87, 38.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3670 (2.87, 2.87, 38.31 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3671 (4.65, 2.33, 39.07 ppm): 5 chemical-shift based assignments, quality = 0.178, support = 3.37, residual support = 55.6: O HA TYR 83 - HB2 TYR 83 20.000% * 99.3378% (0.18 10.0 3.39 56.01) = 99.338% kept HA LYS+ 20 - HB2 TYR 83 20.000% * 0.2138% (0.39 1.0 0.02 0.02) = 0.214% HA LYS+ 120 - HB2 TYR 83 20.000% * 0.2096% (0.38 1.0 0.02 0.02) = 0.210% HA ASP- 36 - HB2 TYR 83 20.000% * 0.2045% (0.37 1.0 0.02 0.02) = 0.205% HA ASN 89 - HB2 TYR 83 20.000% * 0.0342% (0.06 1.0 0.02 0.02) = 0.034% Peak 3672 (4.65, 3.35, 39.08 ppm): 5 chemical-shift based assignments, quality = 0.133, support = 3.37, residual support = 55.6: O HA TYR 83 - HB3 TYR 83 20.000% * 99.3378% (0.13 10.0 3.39 56.01) = 99.338% kept HA LYS+ 20 - HB3 TYR 83 20.000% * 0.2138% (0.29 1.0 0.02 0.02) = 0.214% HA LYS+ 120 - HB3 TYR 83 20.000% * 0.2096% (0.28 1.0 0.02 0.02) = 0.210% HA ASP- 36 - HB3 TYR 83 20.000% * 0.2045% (0.27 1.0 0.02 0.02) = 0.205% HA ASN 89 - HB3 TYR 83 20.000% * 0.0342% (0.05 1.0 0.02 0.02) = 0.034% Peak 3673 (3.87, 1.74, 38.63 ppm): 10 chemical-shift based assignments, quality = 0.215, support = 5.96, residual support = 108.2: O T HA ILE 48 - HB ILE 48 10.000% * 95.1122% (0.21 10.0 10.00 6.26 113.80) = 95.112% kept HA VAL 125 - HB ILE 48 10.000% * 3.0516% (0.47 1.0 1.00 0.29 0.02) = 3.052% kept HD2 PRO 116 - HB ILE 48 10.000% * 0.7568% (0.43 1.0 1.00 0.08 0.02) = 0.757% HB2 SER 85 - HB ILE 48 10.000% * 0.2344% (0.52 1.0 1.00 0.02 0.02) = 0.234% HA VAL 87 - HB ILE 48 10.000% * 0.2033% (0.45 1.0 1.00 0.02 0.02) = 0.203% HB3 SER 88 - HB ILE 48 10.000% * 0.1791% (0.40 1.0 1.00 0.02 0.02) = 0.179% HD2 PRO 86 - HB ILE 48 10.000% * 0.1791% (0.40 1.0 1.00 0.02 0.02) = 0.179% HA LYS+ 44 - HB ILE 48 10.000% * 0.1592% (0.35 1.0 1.00 0.02 0.53) = 0.159% HD3 PRO 86 - HB ILE 48 10.000% * 0.0800% (0.18 1.0 1.00 0.02 0.02) = 0.080% HB3 SER 77 - HB ILE 48 10.000% * 0.0442% (0.10 1.0 1.00 0.02 0.02) = 0.044% Peak 3674 (3.43, 1.74, 38.63 ppm): 7 chemical-shift based assignments, quality = 0.199, support = 4.75, residual support = 70.3: O T HA ILE 48 - HB ILE 48 14.286% * 58.1976% (0.09 10.0 10.00 6.26 113.80) = 58.198% kept HA VAL 62 - HB ILE 48 14.286% * 36.5451% (0.36 1.0 1.00 3.02 10.85) = 36.545% kept T HB2 SER 69 - HB ILE 48 14.286% * 3.4539% (0.51 1.0 10.00 0.02 1.99) = 3.454% kept HA VAL 80 - HB ILE 48 14.286% * 1.0664% (0.12 1.0 1.00 0.27 0.02) = 1.066% kept HA THR 39 - HB ILE 48 14.286% * 0.3493% (0.52 1.0 1.00 0.02 0.02) = 0.349% HB THR 79 - HB ILE 48 14.286% * 0.3401% (0.50 1.0 1.00 0.02 0.02) = 0.340% HB3 TRP 51 - HB ILE 48 14.286% * 0.0477% (0.07 1.0 1.00 0.02 2.35) = 0.048% Peak 3675 (0.39, 1.74, 38.76 ppm): 3 chemical-shift based assignments, quality = 0.474, support = 4.94, residual support = 113.8: O T QD1 ILE 48 - HB ILE 48 33.333% * 36.2652% (0.51 10.0 10.00 6.04 113.80) = 36.265% kept O HG12 ILE 48 - HB ILE 48 33.333% * 36.2652% (0.51 10.0 1.00 3.89 113.80) = 36.265% kept O HG13 ILE 48 - HB ILE 48 33.333% * 27.4696% (0.38 10.0 1.00 4.85 113.80) = 27.470% kept Peak 3676 (7.07, 3.35, 39.09 ppm): 2 chemical-shift based assignments, quality = 0.269, support = 3.45, residual support = 56.0: O T QD TYR 83 - HB3 TYR 83 50.000% * 99.9745% (0.27 10.0 10.00 3.45 56.01) = 99.975% kept QE PHE 21 - HB3 TYR 83 50.000% * 0.0255% (0.07 1.0 1.00 0.02 0.02) = 0.025% Peak 3677 (7.68, 3.35, 39.09 ppm): 1 chemical-shift based assignment, quality = 0.269, support = 3.65, residual support = 56.0: O HN TYR 83 - HB3 TYR 83 100.000% *100.0000% (0.27 10.0 3.65 56.01) = 100.000% kept Peak 3678 (7.68, 2.33, 39.09 ppm): 1 chemical-shift based assignment, quality = 0.304, support = 3.65, residual support = 56.0: O HN TYR 83 - HB2 TYR 83 100.000% *100.0000% (0.30 10.0 3.65 56.01) = 100.000% kept Peak 3679 (6.89, 2.74, 39.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3680 (8.97, 2.74, 39.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3681 (6.89, 2.97, 39.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3682 (8.98, 2.97, 39.90 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3683 (7.63, 2.62, 40.25 ppm): 3 chemical-shift based assignments, quality = 0.249, support = 2.97, residual support = 21.2: O HN ASP- 25 - HB2 ASP- 25 33.333% * 89.4099% (0.23 10.0 3.24 23.69) = 89.410% kept HD21 ASN 57 - HB2 ASP- 25 33.333% * 6.4871% (0.44 1.0 0.75 0.02) = 6.487% kept HD21 ASN 89 - HB2 ASP- 25 33.333% * 4.1030% (0.39 1.0 0.54 0.02) = 4.103% kept Peak 3684 (3.11, 2.62, 40.25 ppm): 8 chemical-shift based assignments, quality = 0.113, support = 1.95, residual support = 23.1: O T HB3 ASP- 25 - HB2 ASP- 25 12.500% * 97.4387% (0.11 10.0 10.00 2.00 23.69) = 97.439% kept T HA1 GLY 58 - HB2 ASP- 25 12.500% * 1.2565% (0.15 1.0 10.00 0.02 0.02) = 1.257% kept HE3 LYS+ 81 - HB2 ASP- 25 12.500% * 0.3178% (0.37 1.0 1.00 0.02 0.02) = 0.318% HE3 LYS+ 72 - HB2 ASP- 25 12.500% * 0.2655% (0.31 1.0 1.00 0.02 0.02) = 0.265% HE3 LYS+ 108 - HB2 ASP- 25 12.500% * 0.2478% (0.29 1.0 1.00 0.02 0.02) = 0.248% HE3 LYS+ 117 - HB2 ASP- 25 12.500% * 0.2478% (0.29 1.0 1.00 0.02 0.02) = 0.248% HA VAL 47 - HB2 ASP- 25 12.500% * 0.1493% (0.17 1.0 1.00 0.02 0.02) = 0.149% HB3 HIS+ 98 - HB2 ASP- 25 12.500% * 0.0766% (0.09 1.0 1.00 0.02 0.02) = 0.077% Peak 3685 (2.63, 2.62, 40.25 ppm): 1 diagonal assignment: HB2 ASP- 25 - HB2 ASP- 25 (0.41) kept Peak 3686 (3.11, 3.10, 40.14 ppm): 1 diagonal assignment: HB3 ASP- 25 - HB3 ASP- 25 (0.14) kept Peak 3687 (7.64, 3.10, 40.11 ppm): 3 chemical-shift based assignments, quality = 0.497, support = 0.02, residual support = 0.02: HD21 ASN 89 - HB3 ASP- 25 33.333% * 60.1709% (0.67 0.02 0.02) = 60.171% kept HD21 ASN 57 - HB3 ASP- 25 33.333% * 24.7920% (0.28 0.02 0.02) = 24.792% kept HN TYR 83 - HB3 ASP- 25 33.333% * 15.0371% (0.17 0.02 0.02) = 15.037% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3688 (8.89, 2.64, 40.90 ppm): 3 chemical-shift based assignments, quality = 0.0715, support = 3.08, residual support = 13.8: O HN ASP- 36 - HB3 ASP- 36 33.333% * 99.8843% (0.07 10.0 3.08 13.77) = 99.884% kept HN GLN 102 - HB3 ASP- 36 33.333% * 0.0945% (0.07 1.0 0.02 0.02) = 0.094% HN ILE 68 - HB3 ASP- 36 33.333% * 0.0212% (0.02 1.0 0.02 0.02) = 0.021% Peak 3689 (8.89, 2.53, 40.90 ppm): 6 chemical-shift based assignments, quality = 0.299, support = 3.08, residual support = 13.8: O HN ASP- 36 - HB2 ASP- 36 16.667% * 76.5553% (0.36 10.0 3.08 13.77) = 76.555% kept O HN ASP- 36 - HB3 ASP- 36 16.667% * 23.3290% (0.11 10.0 3.08 13.77) = 23.329% kept HN GLN 102 - HB2 ASP- 36 16.667% * 0.0724% (0.34 1.0 0.02 0.02) = 0.072% HN GLN 102 - HB3 ASP- 36 16.667% * 0.0221% (0.10 1.0 0.02 0.02) = 0.022% HN ILE 68 - HB2 ASP- 36 16.667% * 0.0163% (0.08 1.0 0.02 0.02) = 0.016% HN ILE 68 - HB3 ASP- 36 16.667% * 0.0050% (0.02 1.0 0.02 0.02) = 0.005% Peak 3690 (7.75, 2.53, 40.90 ppm): 8 chemical-shift based assignments, quality = 0.322, support = 2.65, residual support = 17.1: HN ALA 37 - HB2 ASP- 36 12.500% * 74.6151% (0.39 2.68 17.46) = 74.615% kept HN ALA 37 - HB3 ASP- 36 12.500% * 23.4192% (0.12 2.76 17.46) = 23.419% kept HN VAL 125 - HB2 ASP- 36 12.500% * 0.5811% (0.41 0.02 0.02) = 0.581% HN SER 124 - HB2 ASP- 36 12.500% * 0.5317% (0.38 0.02 0.02) = 0.532% HN ALA 42 - HB2 ASP- 36 12.500% * 0.3939% (0.28 0.02 0.02) = 0.394% HN VAL 125 - HB3 ASP- 36 12.500% * 0.1771% (0.13 0.02 0.02) = 0.177% HN SER 124 - HB3 ASP- 36 12.500% * 0.1620% (0.11 0.02 0.02) = 0.162% HN ALA 42 - HB3 ASP- 36 12.500% * 0.1200% (0.08 0.02 0.02) = 0.120% Peak 3691 (7.75, 2.64, 40.90 ppm): 4 chemical-shift based assignments, quality = 0.0774, support = 2.71, residual support = 17.1: HN ALA 37 - HB3 ASP- 36 25.000% * 98.0773% (0.08 2.76 17.46) = 98.077% kept HN VAL 125 - HB3 ASP- 36 25.000% * 0.7416% (0.08 0.02 0.02) = 0.742% HN SER 124 - HB3 ASP- 36 25.000% * 0.6785% (0.08 0.02 0.02) = 0.678% HN ALA 42 - HB3 ASP- 36 25.000% * 0.5026% (0.06 0.02 0.02) = 0.503% Peak 3692 (8.96, 1.92, 41.19 ppm): 4 chemical-shift based assignments, quality = 0.592, support = 3.24, residual support = 11.5: HN ARG+ 22 - HB ILE 29 25.000% * 55.0423% (0.67 3.15 6.12) = 55.042% kept HN PHE 21 - HB ILE 29 25.000% * 44.2100% (0.50 3.41 18.47) = 44.210% kept HN MET 97 - HB ILE 29 25.000% * 0.4331% (0.83 0.02 0.02) = 0.433% HN THR 96 - HB ILE 29 25.000% * 0.3145% (0.61 0.02 0.02) = 0.315% Peak 3695 (7.97, 1.17, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.437, support = 2.72, residual support = 13.6: HN LEU 43 - HB ILE 68 50.000% * 85.4592% (0.44 3.08 15.89) = 85.459% kept HN LYS+ 72 - HB ILE 68 50.000% * 14.5408% (0.41 0.56 0.02) = 14.541% kept Peak 3696 (7.01, 1.17, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.105, support = 1.83, residual support = 2.35: QE PHE 21 - HB ILE 68 100.000% *100.0000% (0.11 1.83 2.35) = 100.000% kept Not enough quality. Peak unassigned. Peak 3697 (6.88, 1.17, 41.87 ppm): 3 chemical-shift based assignments, quality = 0.453, support = 0.543, residual support = 2.27: QD PHE 21 - HB ILE 68 33.333% * 53.9792% (0.64 0.32 2.35) = 53.979% kept HZ PHE 21 - HB ILE 68 33.333% * 42.4894% (0.19 0.87 2.35) = 42.489% kept HD21 ASN 119 - HB ILE 68 33.333% * 3.5314% (0.68 0.02 0.02) = 3.531% kept Peak 3698 (7.97, 2.11, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.41, support = 5.13, residual support = 45.8: O HN LEU 43 - HB3 LEU 43 25.000% * 60.3182% (0.48 10.0 5.05 46.35) = 60.318% kept O HN LEU 43 - HB2 LEU 43 25.000% * 38.4606% (0.30 10.0 5.39 46.35) = 38.461% kept HN LYS+ 72 - HB3 LEU 43 25.000% * 1.1852% (0.45 1.0 0.42 0.02) = 1.185% kept HN LYS+ 72 - HB2 LEU 43 25.000% * 0.0361% (0.28 1.0 0.02 0.02) = 0.036% Peak 3699 (7.02, 2.11, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.157, support = 1.42, residual support = 3.81: QE PHE 21 - HB3 LEU 43 50.000% * 59.7949% (0.18 1.39 3.81) = 59.795% kept QE PHE 21 - HB2 LEU 43 50.000% * 40.2051% (0.12 1.46 3.81) = 40.205% kept Not enough quality. Peak unassigned. Peak 3700 (6.88, 2.11, 41.87 ppm): 6 chemical-shift based assignments, quality = 0.562, support = 0.833, residual support = 2.5: QD PHE 21 - HB3 LEU 43 16.667% * 31.2717% (0.74 0.88 3.81) = 31.272% kept HD21 ASN 119 - HB2 LEU 43 16.667% * 21.2815% (0.45 0.97 0.57) = 21.281% kept QD PHE 21 - HB2 LEU 43 16.667% * 19.0739% (0.47 0.84 3.81) = 19.074% kept HD21 ASN 119 - HB3 LEU 43 16.667% * 19.0511% (0.71 0.55 0.57) = 19.051% kept HZ PHE 21 - HB3 LEU 43 16.667% * 5.5651% (0.13 0.89 3.81) = 5.565% kept HZ PHE 21 - HB2 LEU 43 16.667% * 3.7566% (0.08 0.94 3.81) = 3.757% kept Peak 3701 (9.46, 1.62, 41.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3702 (9.34, 1.74, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3703 (9.05, 2.64, 41.23 ppm): 4 chemical-shift based assignments, quality = 0.103, support = 0.636, residual support = 0.674: HN THR 79 - HB3 ASP- 82 25.000% * 62.2503% (0.11 0.75 1.07) = 62.250% kept HN GLY 30 - HB3 ASP- 82 25.000% * 33.9368% (0.09 0.50 0.02) = 33.937% kept HN GLU- 54 - HB3 ASP- 82 25.000% * 2.1529% (0.14 0.02 0.02) = 2.153% kept HN LYS+ 66 - HB3 ASP- 82 25.000% * 1.6600% (0.11 0.02 0.02) = 1.660% kept Not enough quality. Peak unassigned. Peak 3704 (9.05, 2.17, 41.26 ppm): 4 chemical-shift based assignments, quality = 0.114, support = 0.713, residual support = 0.588: HN THR 79 - HB2 ASP- 82 25.000% * 54.0377% (0.12 0.75 1.07) = 54.038% kept HN GLY 30 - HB2 ASP- 82 25.000% * 42.6524% (0.10 0.72 0.02) = 42.652% kept HN GLU- 54 - HB2 ASP- 82 25.000% * 1.8689% (0.16 0.02 0.02) = 1.869% kept HN LYS+ 66 - HB2 ASP- 82 25.000% * 1.4410% (0.12 0.02 0.02) = 1.441% kept Not enough quality. Peak unassigned. Peak 3705 (8.26, 2.72, 41.54 ppm): 8 chemical-shift based assignments, quality = 0.186, support = 2.07, residual support = 13.5: O HN ASP- 115 - HB3 ASP- 115 12.500% * 95.7981% (0.19 10.0 2.14 14.04) = 95.798% kept HN THR 106 - HB3 ASP- 115 12.500% * 2.6540% (0.18 1.0 0.57 0.02) = 2.654% kept HN ASN 89 - HB3 ASP- 115 12.500% * 1.3919% (0.08 1.0 0.64 0.56) = 1.392% kept HN LYS+ 81 - HB3 ASP- 115 12.500% * 0.0433% (0.08 1.0 0.02 0.02) = 0.043% HN LEU 67 - HB3 ASP- 115 12.500% * 0.0433% (0.08 1.0 0.02 0.02) = 0.043% HN GLY 58 - HB3 ASP- 115 12.500% * 0.0330% (0.06 1.0 0.02 0.02) = 0.033% HN SER 49 - HB3 ASP- 115 12.500% * 0.0215% (0.04 1.0 0.02 0.02) = 0.022% HN ASP- 28 - HB3 ASP- 115 12.500% * 0.0149% (0.03 1.0 0.02 0.02) = 0.015% Peak 3706 (8.26, 2.53, 41.54 ppm): 8 chemical-shift based assignments, quality = 0.204, support = 2.07, residual support = 13.5: O HN ASP- 115 - HB2 ASP- 115 12.500% * 95.7981% (0.21 10.0 2.14 14.04) = 95.798% kept HN THR 106 - HB2 ASP- 115 12.500% * 2.6540% (0.20 1.0 0.57 0.02) = 2.654% kept HN ASN 89 - HB2 ASP- 115 12.500% * 1.3919% (0.09 1.0 0.64 0.56) = 1.392% kept HN LYS+ 81 - HB2 ASP- 115 12.500% * 0.0433% (0.09 1.0 0.02 0.02) = 0.043% HN LEU 67 - HB2 ASP- 115 12.500% * 0.0433% (0.09 1.0 0.02 0.02) = 0.043% HN GLY 58 - HB2 ASP- 115 12.500% * 0.0330% (0.07 1.0 0.02 0.02) = 0.033% HN SER 49 - HB2 ASP- 115 12.500% * 0.0215% (0.05 1.0 0.02 0.02) = 0.022% HN ASP- 28 - HB2 ASP- 115 12.500% * 0.0149% (0.03 1.0 0.02 0.02) = 0.015% Peak 3707 (4.86, 2.53, 41.54 ppm): 3 chemical-shift based assignments, quality = 0.181, support = 0.319, residual support = 0.534: HA THR 96 - HB2 ASP- 115 33.333% * 76.9255% (0.21 0.36 0.69) = 76.926% kept HA ILE 19 - HB2 ASP- 115 33.333% * 21.8618% (0.10 0.21 0.02) = 21.862% kept HA SER 69 - HB2 ASP- 115 33.333% * 1.2126% (0.06 0.02 0.02) = 1.213% kept Not enough quality. Peak unassigned. Peak 3708 (4.86, 2.72, 41.54 ppm): 3 chemical-shift based assignments, quality = 0.165, support = 0.319, residual support = 0.534: HA THR 96 - HB3 ASP- 115 33.333% * 76.9255% (0.19 0.36 0.69) = 76.926% kept HA ILE 19 - HB3 ASP- 115 33.333% * 21.8618% (0.09 0.21 0.02) = 21.862% kept HA SER 69 - HB3 ASP- 115 33.333% * 1.2126% (0.05 0.02 0.02) = 1.213% kept Not enough quality. Peak unassigned. Peak 3709 (5.08, 2.60, 42.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3710 (7.33, 3.17, 42.79 ppm): 30 chemical-shift based assignments, quality = 0.622, support = 3.41, residual support = 44.1: O QD PHE 34 - HB3 PHE 34 3.333% * 75.3509% (0.58 10.0 3.83 44.73) = 75.351% kept QE PHE 34 - HB3 PHE 34 3.333% * 12.1112% (0.80 1.0 2.33 44.73) = 12.111% kept HZ PHE 34 - HB3 PHE 34 3.333% * 11.1624% (0.80 1.0 2.15 44.73) = 11.162% kept HZ2 TRP 51 - HA1 GLY 58 3.333% * 0.4740% (0.07 1.0 1.07 3.68) = 0.474% HZ PHE 34 - HA1 GLY 58 3.333% * 0.1904% (0.07 1.0 0.43 0.10) = 0.190% QE PHE 34 - HA1 GLY 58 3.333% * 0.1838% (0.07 1.0 0.42 0.10) = 0.184% QD PHE 34 - HA1 GLY 58 3.333% * 0.1382% (0.05 1.0 0.43 0.10) = 0.138% HZ2 TRP 51 - HB3 PHE 34 3.333% * 0.1038% (0.80 1.0 0.02 0.02) = 0.104% HN VAL 47 - HB3 PHE 34 3.333% * 0.0671% (0.52 1.0 0.02 0.02) = 0.067% HN ARG+ 84 - HB3 PHE 34 3.333% * 0.0629% (0.48 1.0 0.02 0.02) = 0.063% HZ PHE 34 - HE3 LYS+ 72 3.333% * 0.0150% (0.12 1.0 0.02 0.02) = 0.015% HZ2 TRP 51 - HE3 LYS+ 72 3.333% * 0.0150% (0.12 1.0 0.02 0.02) = 0.015% QE PHE 34 - HE3 LYS+ 72 3.333% * 0.0150% (0.12 1.0 0.02 0.02) = 0.015% QD PHE 34 - HE3 LYS+ 72 3.333% * 0.0109% (0.08 1.0 0.02 0.02) = 0.011% HN VAL 47 - HE3 LYS+ 72 3.333% * 0.0097% (0.07 1.0 0.02 0.02) = 0.010% HN ARG+ 84 - HE3 LYS+ 72 3.333% * 0.0091% (0.07 1.0 0.02 0.02) = 0.009% QE PHE 34 - HE3 LYS+ 81 3.333% * 0.0081% (0.06 1.0 0.02 0.02) = 0.008% HZ PHE 34 - HE3 LYS+ 81 3.333% * 0.0081% (0.06 1.0 0.02 0.02) = 0.008% HZ2 TRP 51 - HE3 LYS+ 81 3.333% * 0.0081% (0.06 1.0 0.02 0.41) = 0.008% HZ2 TRP 51 - HE3 LYS+ 108 3.333% * 0.0059% (0.05 1.0 0.02 0.02) = 0.006% HZ PHE 34 - HE3 LYS+ 108 3.333% * 0.0059% (0.05 1.0 0.02 0.02) = 0.006% QE PHE 34 - HE3 LYS+ 108 3.333% * 0.0059% (0.05 1.0 0.02 0.02) = 0.006% QD PHE 34 - HE3 LYS+ 81 3.333% * 0.0059% (0.05 1.0 0.02 0.02) = 0.006% HN VAL 47 - HA1 GLY 58 3.333% * 0.0057% (0.04 1.0 0.02 0.02) = 0.006% HN ARG+ 84 - HA1 GLY 58 3.333% * 0.0054% (0.04 1.0 0.02 0.02) = 0.005% HN VAL 47 - HE3 LYS+ 81 3.333% * 0.0052% (0.04 1.0 0.02 0.02) = 0.005% HN ARG+ 84 - HE3 LYS+ 81 3.333% * 0.0049% (0.04 1.0 0.02 0.85) = 0.005% QD PHE 34 - HE3 LYS+ 108 3.333% * 0.0043% (0.03 1.0 0.02 0.02) = 0.004% HN VAL 47 - HE3 LYS+ 108 3.333% * 0.0038% (0.03 1.0 0.02 0.02) = 0.004% HN ARG+ 84 - HE3 LYS+ 108 3.333% * 0.0036% (0.03 1.0 0.02 0.02) = 0.004% Peak 3711 (8.77, 3.17, 42.79 ppm): 20 chemical-shift based assignments, quality = 0.632, support = 3.93, residual support = 42.6: O HN PHE 34 - HB3 PHE 34 5.000% * 95.3368% (0.64 10.0 4.11 44.73) = 95.337% kept HN SER 69 - HB3 PHE 34 5.000% * 1.8058% (0.52 1.0 0.47 0.02) = 1.806% kept HN THR 95 - HB3 PHE 34 5.000% * 1.1899% (0.67 1.0 0.24 0.02) = 1.190% kept HN VAL 62 - HB3 PHE 34 5.000% * 1.1341% (0.48 1.0 0.31 0.02) = 1.134% kept HN THR 95 - HA1 GLY 58 5.000% * 0.4167% (0.06 1.0 0.98 0.02) = 0.417% HN THR 95 - HE3 LYS+ 72 5.000% * 0.0144% (0.10 1.0 0.02 0.57) = 0.014% HN PHE 34 - HE3 LYS+ 72 5.000% * 0.0138% (0.09 1.0 0.02 0.02) = 0.014% HN SER 69 - HE3 LYS+ 72 5.000% * 0.0111% (0.07 1.0 0.02 0.79) = 0.011% HN VAL 62 - HE3 LYS+ 72 5.000% * 0.0104% (0.07 1.0 0.02 1.73) = 0.010% HN PHE 34 - HA1 GLY 58 5.000% * 0.0081% (0.05 1.0 0.02 0.10) = 0.008% HN THR 95 - HE3 LYS+ 81 5.000% * 0.0077% (0.05 1.0 0.02 0.02) = 0.008% HN PHE 34 - HE3 LYS+ 81 5.000% * 0.0074% (0.05 1.0 0.02 0.02) = 0.007% HN SER 69 - HA1 GLY 58 5.000% * 0.0066% (0.04 1.0 0.02 0.02) = 0.007% HN VAL 62 - HA1 GLY 58 5.000% * 0.0062% (0.04 1.0 0.02 0.40) = 0.006% HN SER 69 - HE3 LYS+ 81 5.000% * 0.0060% (0.04 1.0 0.02 0.02) = 0.006% HN THR 95 - HE3 LYS+ 108 5.000% * 0.0056% (0.04 1.0 0.02 0.02) = 0.006% HN VAL 62 - HE3 LYS+ 81 5.000% * 0.0056% (0.04 1.0 0.02 0.45) = 0.006% HN PHE 34 - HE3 LYS+ 108 5.000% * 0.0054% (0.04 1.0 0.02 0.02) = 0.005% HN SER 69 - HE3 LYS+ 108 5.000% * 0.0044% (0.03 1.0 0.02 0.02) = 0.004% HN VAL 62 - HE3 LYS+ 108 5.000% * 0.0041% (0.03 1.0 0.02 0.02) = 0.004% Peak 3712 (8.78, 2.60, 42.79 ppm): 8 chemical-shift based assignments, quality = 0.371, support = 3.67, residual support = 40.8: O HN PHE 34 - HB2 PHE 34 12.500% * 91.1889% (0.36 10.0 3.98 44.73) = 91.189% kept HN THR 95 - HA1 GLY 58 12.500% * 3.8526% (0.31 1.0 0.98 0.02) = 3.853% kept HN THR 95 - HB2 PHE 34 12.500% * 2.2365% (0.74 1.0 0.24 0.02) = 2.237% kept HN SER 69 - HB2 PHE 34 12.500% * 1.6873% (0.69 1.0 0.20 0.02) = 1.687% kept HN VAL 62 - HB2 PHE 34 12.500% * 0.8998% (0.23 1.0 0.31 0.02) = 0.900% HN SER 69 - HA1 GLY 58 12.500% * 0.0725% (0.29 1.0 0.02 0.02) = 0.072% HN PHE 34 - HA1 GLY 58 12.500% * 0.0382% (0.15 1.0 0.02 0.10) = 0.038% HN VAL 62 - HA1 GLY 58 12.500% * 0.0242% (0.10 1.0 0.02 0.40) = 0.024% Peak 3713 (5.08, 3.17, 42.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3714 (4.79, 1.73, 41.57 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3715 (4.79, 1.93, 41.57 ppm): 10 chemical-shift based assignments, quality = 0.362, support = 2.15, residual support = 3.68: HA ASP- 115 - HB2 LEU 23 10.000% * 36.8777% (0.29 3.03 7.02) = 36.878% kept HA PRO 116 - HB2 LEU 23 10.000% * 30.8375% (0.37 1.98 2.57) = 30.837% kept HA LYS+ 113 - HB2 LEU 23 10.000% * 29.0805% (0.47 1.47 1.01) = 29.081% kept HA LYS+ 113 - HB ILE 29 10.000% * 1.0231% (0.31 0.08 0.34) = 1.023% kept HA GLU- 107 - HB2 LEU 23 10.000% * 0.8752% (0.23 0.09 0.02) = 0.875% HA PRO 116 - HB ILE 29 10.000% * 0.7650% (0.24 0.08 0.02) = 0.765% HA MET 97 - HB ILE 29 10.000% * 0.1906% (0.05 0.09 0.02) = 0.191% HA ASP- 115 - HB ILE 29 10.000% * 0.1586% (0.19 0.02 0.02) = 0.159% HA GLU- 107 - HB ILE 29 10.000% * 0.1256% (0.15 0.02 0.02) = 0.126% HA MET 97 - HB2 LEU 23 10.000% * 0.0663% (0.08 0.02 0.10) = 0.066% Peak 3717 (2.72, 1.93, 41.57 ppm): 10 chemical-shift based assignments, quality = 0.338, support = 1.61, residual support = 5.78: HB3 ASP- 115 - HB2 LEU 23 10.000% * 29.3340% (0.35 2.14 7.02) = 29.334% kept HA1 GLY 58 - HB2 LEU 23 10.000% * 28.7743% (0.50 1.49 2.50) = 28.774% kept HA1 GLY 58 - HB ILE 29 10.000% * 14.8788% (0.32 1.18 2.94) = 14.879% kept HB3 PHE 21 - HB ILE 29 10.000% * 13.7538% (0.16 2.17 18.47) = 13.754% kept HB3 PHE 21 - HB2 LEU 23 10.000% * 5.8823% (0.25 0.61 0.35) = 5.882% kept HE3 LYS+ 20 - HB2 LEU 23 10.000% * 3.5928% (0.14 0.65 0.02) = 3.593% kept HE3 LYS+ 20 - HB ILE 29 10.000% * 2.7213% (0.09 0.75 0.13) = 2.721% kept HE3 LYS+ 120 - HB ILE 29 10.000% * 0.6902% (0.16 0.11 0.02) = 0.690% HE3 LYS+ 120 - HB2 LEU 23 10.000% * 0.1940% (0.25 0.02 0.02) = 0.194% HB3 ASP- 115 - HB ILE 29 10.000% * 0.1785% (0.23 0.02 0.02) = 0.178% Peak 3718 (0.28, 1.73, 41.57 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3719 (0.28, 1.93, 41.56 ppm): 2 chemical-shift based assignments, quality = 0.409, support = 3.26, residual support = 27.9: O T QD2 LEU 23 - HB2 LEU 23 50.000% * 58.8535% (0.47 10.0 10.00 4.16 39.41) = 58.853% kept T QD2 LEU 23 - HB ILE 29 50.000% * 41.1465% (0.33 1.0 10.00 1.98 11.48) = 41.147% kept Peak 3720 (0.61, 1.93, 41.56 ppm): 2 chemical-shift based assignments, quality = 0.206, support = 2.47, residual support = 28.3: O T QD1 LEU 23 - HB2 LEU 23 50.000% * 60.2875% (0.23 10.0 10.00 2.88 39.41) = 60.287% kept T QD1 LEU 23 - HB ILE 29 50.000% * 39.7125% (0.16 1.0 10.00 1.86 11.48) = 39.713% kept Peak 3721 (0.62, 1.73, 41.57 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3722 (4.58, 2.66, 41.22 ppm): 2 chemical-shift based assignments, quality = 0.105, support = 0.02, residual support = 0.02: HA ASP- 25 - HB3 ASP- 82 50.000% * 61.7748% (0.12 0.02 0.02) = 61.775% kept HA LYS+ 72 - HB3 ASP- 82 50.000% * 38.2252% (0.08 0.02 0.02) = 38.225% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3723 (-0.07, 2.10, 41.75 ppm): 4 chemical-shift based assignments, quality = 0.224, support = 3.23, residual support = 36.8: O T QD1 LEU 43 - HB3 LEU 43 25.000% * 42.7085% (0.13 10.0 10.00 3.36 46.35) = 42.708% kept O T QD1 LEU 43 - HB2 LEU 43 25.000% * 33.2614% (0.10 10.0 10.00 4.44 46.35) = 33.261% kept QD1 LEU 74 - HB3 LEU 43 25.000% * 15.1767% (0.61 1.0 1.00 1.49 6.55) = 15.177% kept QD1 LEU 74 - HB2 LEU 43 25.000% * 8.8534% (0.48 1.0 1.00 1.11 6.55) = 8.853% kept Peak 3724 (2.12, 2.10, 41.75 ppm): 2 diagonal assignments: HB3 LEU 43 - HB3 LEU 43 (0.79) kept HB2 LEU 43 - HB2 LEU 43 (0.11) kept Peak 3725 (3.75, 2.10, 41.75 ppm): 10 chemical-shift based assignments, quality = 0.657, support = 3.04, residual support = 42.1: O HA LEU 43 - HB3 LEU 43 10.000% * 50.8801% (0.73 10.0 2.58 46.35) = 50.880% kept O HA LEU 43 - HB2 LEU 43 10.000% * 39.6255% (0.56 10.0 4.04 46.35) = 39.625% kept HA ILE 48 - HB3 LEU 43 10.000% * 4.3961% (0.86 1.0 1.46 2.14) = 4.396% kept HA ILE 48 - HB2 LEU 43 10.000% * 3.9339% (0.67 1.0 1.68 2.14) = 3.934% kept HA LYS+ 44 - HB3 LEU 43 10.000% * 0.9483% (0.18 1.0 1.54 6.50) = 0.948% HD3 PRO 104 - HB3 LEU 43 10.000% * 0.0653% (0.93 1.0 0.02 0.02) = 0.065% HB3 SER 27 - HB3 LEU 43 10.000% * 0.0509% (0.73 1.0 0.02 0.02) = 0.051% HD3 PRO 104 - HB2 LEU 43 10.000% * 0.0508% (0.72 1.0 0.02 0.02) = 0.051% HB3 SER 27 - HB2 LEU 43 10.000% * 0.0396% (0.56 1.0 0.02 0.02) = 0.040% HA LYS+ 44 - HB2 LEU 43 10.000% * 0.0096% (0.14 1.0 0.02 6.50) = 0.010% Peak 3726 (3.48, 2.10, 41.75 ppm): 12 chemical-shift based assignments, quality = 0.543, support = 0.946, residual support = 0.862: HD3 PRO 31 - HB3 LEU 43 8.333% * 16.6746% (0.82 0.90 0.96) = 16.675% kept HD3 PRO 31 - HB2 LEU 43 8.333% * 14.7901% (0.64 1.02 0.96) = 14.790% kept HA1 GLY 71 - HB2 LEU 43 8.333% * 14.4167% (0.62 1.04 0.69) = 14.417% kept HA1 GLY 71 - HB3 LEU 43 8.333% * 10.5392% (0.79 0.59 0.69) = 10.539% kept HA ILE 48 - HB3 LEU 43 8.333% * 9.3082% (0.28 1.46 2.14) = 9.308% kept HA ILE 48 - HB2 LEU 43 8.333% * 8.3296% (0.22 1.68 2.14) = 8.330% kept HA1 GLY 30 - HB2 LEU 43 8.333% * 6.7498% (0.39 0.77 0.02) = 6.750% kept HA1 GLY 30 - HB3 LEU 43 8.333% * 6.2305% (0.50 0.55 0.02) = 6.231% kept HA VAL 80 - HB3 LEU 43 8.333% * 4.2272% (0.36 0.53 0.02) = 4.227% kept HA VAL 80 - HB2 LEU 43 8.333% * 3.9085% (0.28 0.63 0.02) = 3.908% kept HB3 SER 69 - HB3 LEU 43 8.333% * 2.4849% (0.24 0.47 0.11) = 2.485% kept HB3 SER 69 - HB2 LEU 43 8.333% * 2.3408% (0.18 0.56 0.11) = 2.341% kept Peak 3727 (3.49, 1.16, 41.79 ppm): 5 chemical-shift based assignments, quality = 0.239, support = 1.08, residual support = 2.06: HB3 SER 69 - HB ILE 68 20.000% * 53.4037% (0.23 1.49 3.40) = 53.404% kept HA1 GLY 30 - HB ILE 68 20.000% * 33.5119% (0.31 0.70 0.73) = 33.512% kept HA1 GLY 71 - HB ILE 68 20.000% * 6.4483% (0.11 0.38 0.02) = 6.448% kept HA ILE 48 - HB ILE 68 20.000% * 6.2657% (0.11 0.37 0.02) = 6.266% kept HD3 PRO 31 - HB ILE 68 20.000% * 0.3704% (0.12 0.02 4.46) = 0.370% Peak 3728 (3.49, 3.48, 42.75 ppm): 1 diagonal assignment: HA1 GLY 30 - HA1 GLY 30 (0.56) kept Peak 3729 (3.16, 3.16, 43.82 ppm): 2 diagonal assignments: HD3 ARG+ 84 - HD3 ARG+ 84 (0.32) kept HD2 ARG+ 53 - HD2 ARG+ 53 (0.20) kept Peak 3730 (3.71, 3.16, 43.82 ppm): 6 chemical-shift based assignments, quality = 0.373, support = 0.2, residual support = 0.974: HA ILE 48 - HD3 ARG+ 84 16.667% * 78.8694% (0.44 0.22 0.64) = 78.869% kept HD2 PRO 52 - HD2 ARG+ 53 16.667% * 11.0745% (0.06 0.24 4.20) = 11.075% kept HA ILE 48 - HD2 ARG+ 53 16.667% * 5.2373% (0.32 0.02 0.02) = 5.237% kept HA LEU 43 - HD3 ARG+ 84 16.667% * 2.0468% (0.12 0.02 0.02) = 2.047% kept HA LEU 43 - HD2 ARG+ 53 16.667% * 1.4826% (0.09 0.02 0.02) = 1.483% kept HD2 PRO 52 - HD3 ARG+ 84 16.667% * 1.2893% (0.08 0.02 0.02) = 1.289% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3731 (2.63, 2.64, 43.40 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.32) kept Peak 3732 (2.63, 2.46, 43.39 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.27) kept Peak 3733 (2.46, 2.46, 43.39 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.23) kept Peak 3734 (2.47, 2.64, 43.40 ppm): 1 diagonal assignment: HA1 GLY 58 - HA1 GLY 58 (0.27) kept Peak 3735 (1.63, 2.65, 41.23 ppm): 11 chemical-shift based assignments, quality = 0.16, support = 0.739, residual support = 0.871: HG LEU 23 - HB3 ASP- 82 9.091% * 34.7030% (0.25 0.56 1.42) = 34.703% kept HG3 ARG+ 84 - HB3 ASP- 82 9.091% * 23.1098% (0.07 1.43 1.10) = 23.110% kept HB3 ARG+ 22 - HB3 ASP- 82 9.091% * 20.1625% (0.14 0.59 0.50) = 20.162% kept HB3 MET 97 - HB3 ASP- 82 9.091% * 16.6152% (0.12 0.57 0.13) = 16.615% kept HB ILE 100 - HB3 ASP- 82 9.091% * 1.1952% (0.24 0.02 0.02) = 1.195% kept HG12 ILE 101 - HB3 ASP- 82 9.091% * 1.1952% (0.24 0.02 0.02) = 1.195% kept HB2 LEU 67 - HB3 ASP- 82 9.091% * 1.1952% (0.24 0.02 0.02) = 1.195% kept HG3 LYS+ 78 - HB3 ASP- 82 9.091% * 0.8376% (0.17 0.02 0.11) = 0.838% HG2 LYS+ 110 - HB3 ASP- 82 9.091% * 0.3996% (0.08 0.02 0.02) = 0.400% HG3 LYS+ 110 - HB3 ASP- 82 9.091% * 0.3600% (0.07 0.02 0.02) = 0.360% HB3 LEU 17 - HB3 ASP- 82 9.091% * 0.2268% (0.05 0.02 0.02) = 0.227% Not enough quality. Peak unassigned. Peak 3736 (1.64, 2.17, 41.26 ppm): 9 chemical-shift based assignments, quality = 0.225, support = 1.13, residual support = 0.935: HG LEU 23 - HB2 ASP- 82 11.111% * 35.8616% (0.24 1.41 1.42) = 35.862% kept HG3 ARG+ 84 - HB2 ASP- 82 11.111% * 26.1305% (0.17 1.42 1.10) = 26.130% kept HB3 ARG+ 22 - HB2 ASP- 82 11.111% * 24.6393% (0.27 0.84 0.50) = 24.639% kept HB3 MET 97 - HB2 ASP- 82 11.111% * 10.8473% (0.25 0.41 0.13) = 10.847% kept HB3 MET 126 - HB2 ASP- 82 11.111% * 0.9239% (0.05 0.17 0.02) = 0.924% HG12 ILE 101 - HB2 ASP- 82 11.111% * 0.4529% (0.21 0.02 0.02) = 0.453% HB ILE 100 - HB2 ASP- 82 11.111% * 0.4529% (0.21 0.02 0.02) = 0.453% HB2 LEU 67 - HB2 ASP- 82 11.111% * 0.4529% (0.21 0.02 0.02) = 0.453% HG3 LYS+ 78 - HB2 ASP- 82 11.111% * 0.2388% (0.11 0.02 0.11) = 0.239% 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 = 0.417, support = 2.15, residual support = 7.02: T QD2 LEU 23 - HB3 ASP- 115 100.000% *100.0000% (0.42 10.00 2.15 7.02) = 100.000% kept Peak 3739 (0.28, 1.93, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.827, support = 4.16, residual support = 39.4: O T QD2 LEU 23 - HB2 LEU 23 100.000% *100.0000% (0.83 10.0 10.00 4.16 39.41) = 100.000% kept Peak 3740 (0.28, 1.74, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3741 (1.93, 1.74, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3742 (1.75, 1.74, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3743 (1.93, 1.93, 41.87 ppm): 1 diagonal assignment: HB2 LEU 23 - HB2 LEU 23 (0.78) kept Peak 3744 (1.75, 1.93, 41.87 ppm): 6 chemical-shift based assignments, quality = 0.542, support = 1.0, residual support = 0.911: HB3 GLU- 50 - HB2 LEU 23 16.667% * 56.5504% (0.55 1.43 1.34) = 56.550% kept HB VAL 94 - HB2 LEU 23 16.667% * 18.5069% (0.70 0.36 0.02) = 18.507% kept HB2 ARG+ 84 - HB2 LEU 23 16.667% * 13.6034% (0.61 0.31 1.01) = 13.603% kept HB ILE 48 - HB2 LEU 23 16.667% * 10.7938% (0.19 0.79 0.13) = 10.794% kept HB3 GLU- 18 - HB2 LEU 23 16.667% * 0.2728% (0.19 0.02 0.02) = 0.273% HB3 ARG+ 53 - HB2 LEU 23 16.667% * 0.2728% (0.19 0.02 0.02) = 0.273% Peak 3745 (0.93, 1.62, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3746 (1.63, 1.62, 41.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3747 (8.30, 2.13, 45.43 ppm): 6 chemical-shift based assignments, quality = 0.347, support = 2.94, residual support = 33.1: O HN ASP- 28 - HB2 ASP- 28 16.667% * 98.6088% (0.35 10.0 2.98 33.57) = 98.609% kept HN VAL 99 - HB2 ASP- 28 16.667% * 1.1369% (0.31 1.0 0.26 0.40) = 1.137% kept HN ALA 91 - HB2 ASP- 28 16.667% * 0.1358% (0.48 1.0 0.02 0.02) = 0.136% HN ASN 89 - HB2 ASP- 28 16.667% * 0.0463% (0.16 1.0 0.02 0.02) = 0.046% HN ASN 76 - HB2 ASP- 28 16.667% * 0.0419% (0.15 1.0 0.02 0.02) = 0.042% HN GLY 114 - HB2 ASP- 28 16.667% * 0.0302% (0.11 1.0 0.02 0.02) = 0.030% Peak 3748 (9.31, 2.13, 45.43 ppm): 2 chemical-shift based assignments, quality = 0.401, support = 3.98, residual support = 20.2: HN ILE 29 - HB2 ASP- 28 50.000% * 85.0144% (0.43 4.42 23.43) = 85.014% kept HN LEU 23 - HB2 ASP- 28 50.000% * 14.9856% (0.23 1.44 1.79) = 14.986% kept Peak 3749 (9.31, 2.39, 45.43 ppm): 2 chemical-shift based assignments, quality = 0.403, support = 4.93, residual support = 20.4: HN ILE 29 - HB3 ASP- 28 50.000% * 86.0601% (0.43 5.47 23.43) = 86.060% kept HN LEU 23 - HB3 ASP- 28 50.000% * 13.9399% (0.23 1.63 1.79) = 13.940% kept Peak 3750 (8.51, 1.35, 45.37 ppm): 1 chemical-shift based assignment, quality = 0.0954, support = 4.65, residual support = 19.1: HN GLU- 18 - HB2 LEU 17 100.000% *100.0000% (0.10 4.65 19.06) = 100.000% 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 (0.28) kept Peak 3753 (7.83, 3.98, 45.56 ppm): 3 chemical-shift based assignments, quality = 0.128, support = 2.58, residual support = 13.8: O HN ALA 93 - HA1 GLY 92 33.333% * 99.4325% (0.13 10.0 2.59 13.83) = 99.433% kept HN LYS+ 63 - HA1 GLY 92 33.333% * 0.3505% (0.46 1.0 0.02 0.02) = 0.351% HN LYS+ 55 - HA1 GLY 92 33.333% * 0.2169% (0.28 1.0 0.02 0.02) = 0.217% Peak 3754 (7.83, 3.82, 45.56 ppm): 3 chemical-shift based assignments, quality = 0.146, support = 2.38, residual support = 13.8: O HN ALA 93 - HA2 GLY 92 33.333% * 99.4325% (0.15 10.0 2.39 13.83) = 99.433% kept HN LYS+ 63 - HA2 GLY 92 33.333% * 0.3505% (0.52 1.0 0.02 0.02) = 0.351% HN LYS+ 55 - HA2 GLY 92 33.333% * 0.2169% (0.32 1.0 0.02 0.02) = 0.217% Peak 3755 (8.46, 3.82, 45.56 ppm): 6 chemical-shift based assignments, quality = 0.457, support = 2.52, residual support = 8.89: O HN GLY 92 - HA2 GLY 92 16.667% * 99.6262% (0.46 10.0 2.53 8.93) = 99.626% kept HN LYS+ 113 - HA2 GLY 92 16.667% * 0.1138% (0.52 1.0 0.02 0.02) = 0.114% HN GLU- 107 - HA2 GLY 92 16.667% * 0.1138% (0.52 1.0 0.02 0.02) = 0.114% HN LEU 74 - HA2 GLY 92 16.667% * 0.0834% (0.38 1.0 0.02 0.10) = 0.083% HN GLU- 18 - HA2 GLY 92 16.667% * 0.0472% (0.22 1.0 0.02 0.02) = 0.047% HN ARG+ 53 - HA2 GLY 92 16.667% * 0.0155% (0.07 1.0 0.02 0.02) = 0.016% Peak 3756 (7.97, 3.46, 45.56 ppm): 2 chemical-shift based assignments, quality = 0.317, support = 3.13, residual support = 11.7: O HN LYS+ 72 - HA1 GLY 71 50.000% * 91.0757% (0.32 10.0 3.24 12.77) = 91.076% kept HN LEU 43 - HA1 GLY 71 50.000% * 8.9243% (0.30 1.0 2.09 0.69) = 8.924% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3761 (8.87, 1.21, 46.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3762 (8.26, 1.47, 46.81 ppm): 7 chemical-shift based assignments, quality = 0.189, support = 2.8, residual support = 25.3: O HN LEU 67 - HB3 LEU 67 14.286% * 91.4103% (0.19 10.0 2.92 27.70) = 91.410% kept HN SER 49 - HB3 LEU 67 14.286% * 5.5428% (0.10 1.0 2.29 0.02) = 5.543% kept HN THR 106 - HB3 LEU 67 14.286% * 2.6451% (0.36 1.0 0.31 0.02) = 2.645% kept HN ASP- 115 - HB3 LEU 67 14.286% * 0.1737% (0.36 1.0 0.02 0.02) = 0.174% HN LYS+ 81 - HB3 LEU 67 14.286% * 0.0914% (0.19 1.0 0.02 0.02) = 0.091% HN GLY 58 - HB3 LEU 67 14.286% * 0.0714% (0.15 1.0 0.02 0.02) = 0.071% HN ASN 89 - HB3 LEU 67 14.286% * 0.0652% (0.14 1.0 0.02 0.02) = 0.065% 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): 2 chemical-shift based assignments, quality = 0.281, support = 1.98, residual support = 5.99: HA ILE 48 - HD2 PRO 104 50.000% * 53.0839% (0.29 2.03 7.08) = 53.084% kept HD2 PRO 112 - HD2 PRO 104 50.000% * 46.9161% (0.27 1.93 4.76) = 46.916% kept Peak 3766 (3.75, 3.75, 50.58 ppm): 1 diagonal assignment: HD3 PRO 104 - HD3 PRO 104 (0.74) kept Peak 3767 (2.27, 3.61, 50.61 ppm): 4 chemical-shift based assignments, quality = 0.15, support = 1.05, residual support = 2.58: HA1 GLY 58 - HD2 PRO 104 25.000% * 96.0276% (0.15 1.09 2.69) = 96.028% kept HB VAL 80 - HD2 PRO 104 25.000% * 2.3851% (0.20 0.02 0.02) = 2.385% kept HG2 GLU- 56 - HD2 PRO 104 25.000% * 0.9805% (0.08 0.02 0.02) = 0.981% HB2 PRO 86 - HD2 PRO 104 25.000% * 0.6067% (0.05 0.02 0.02) = 0.607% Not enough quality. Peak unassigned. Peak 3768 (1.36, 3.46, 50.99 ppm): 8 chemical-shift based assignments, quality = 0.478, support = 2.25, residual support = 7.51: HB3 LYS+ 20 - HD3 PRO 31 12.500% * 65.1852% (0.50 2.99 10.54) = 65.185% kept HG13 ILE 19 - HD3 PRO 31 12.500% * 23.3310% (0.45 1.19 2.74) = 23.331% kept QB ALA 91 - HD3 PRO 31 12.500% * 5.5953% (0.50 0.26 0.02) = 5.595% kept HG3 ARG+ 22 - HD3 PRO 31 12.500% * 4.9106% (0.46 0.24 0.02) = 4.911% kept HG2 LYS+ 78 - HD3 PRO 31 12.500% * 0.3338% (0.38 0.02 0.02) = 0.334% QG2 THR 39 - HD3 PRO 31 12.500% * 0.2473% (0.28 0.02 0.02) = 0.247% HG LEU 74 - HD3 PRO 31 12.500% * 0.2329% (0.27 0.02 0.02) = 0.233% HB2 LEU 17 - HD3 PRO 31 12.500% * 0.1639% (0.19 0.02 0.02) = 0.164% Peak 3769 (1.36, 3.58, 50.95 ppm): 16 chemical-shift based assignments, quality = 0.353, support = 2.13, residual support = 7.58: HB3 LYS+ 20 - HD2 PRO 31 6.250% * 65.3302% (0.39 2.82 10.54) = 65.330% kept HG13 ILE 19 - HD2 PRO 31 6.250% * 22.5666% (0.35 1.09 2.74) = 22.567% kept HG LEU 74 - HD2 PRO 104 6.250% * 7.1647% (0.25 0.49 1.08) = 7.165% kept QB ALA 91 - HD2 PRO 104 6.250% * 0.5440% (0.46 0.02 0.02) = 0.544% HB3 LYS+ 20 - HD2 PRO 104 6.250% * 0.5440% (0.46 0.02 0.02) = 0.544% HG3 ARG+ 22 - HD2 PRO 104 6.250% * 0.5033% (0.43 0.02 0.02) = 0.503% HG13 ILE 19 - HD2 PRO 104 6.250% * 0.4890% (0.41 0.02 0.02) = 0.489% QB ALA 91 - HD2 PRO 31 6.250% * 0.4625% (0.39 0.02 0.02) = 0.463% HG3 ARG+ 22 - HD2 PRO 31 6.250% * 0.4279% (0.36 0.02 0.02) = 0.428% HG2 LYS+ 78 - HD2 PRO 104 6.250% * 0.4167% (0.35 0.02 0.02) = 0.417% HG2 LYS+ 78 - HD2 PRO 31 6.250% * 0.3543% (0.30 0.02 0.02) = 0.354% QG2 THR 39 - HD2 PRO 104 6.250% * 0.3087% (0.26 0.02 0.02) = 0.309% QG2 THR 39 - HD2 PRO 31 6.250% * 0.2624% (0.22 0.02 0.02) = 0.262% HG LEU 74 - HD2 PRO 31 6.250% * 0.2473% (0.21 0.02 0.02) = 0.247% HB2 LEU 17 - HD2 PRO 104 6.250% * 0.2046% (0.17 0.02 0.61) = 0.205% HB2 LEU 17 - HD2 PRO 31 6.250% * 0.1740% (0.15 0.02 0.02) = 0.174% 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): 5 chemical-shift based assignments, quality = 0.109, support = 0.895, residual support = 0.978: HA ILE 48 - HD3 PRO 31 20.000% * 46.1030% (0.18 0.52 1.25) = 46.103% kept HA LEU 43 - HD3 PRO 31 20.000% * 32.7651% (0.04 1.58 0.96) = 32.765% kept HA LYS+ 44 - HD3 PRO 31 20.000% * 18.2173% (0.05 0.75 0.49) = 18.217% kept HB3 SER 27 - HD3 PRO 31 20.000% * 1.9774% (0.20 0.02 0.02) = 1.977% kept HD3 PRO 104 - HD3 PRO 31 20.000% * 0.9372% (0.09 0.02 0.02) = 0.937% Not enough quality. Peak unassigned. Peak 3773 (7.08, 7.08, 50.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3774 (7.33, 7.33, 50.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3775 (7.21, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.133, support = 0.641, residual support = 0.923: HH2 TRP 51 - QD1 ILE 101 50.000% * 86.5397% (0.13 0.73 0.92) = 86.540% kept HN TRP 51 - QD1 ILE 101 50.000% * 13.4603% (0.18 0.08 0.92) = 13.460% kept Not enough quality. Peak unassigned. Peak 3776 (7.55, 0.55, 10.88 ppm): 3 chemical-shift based assignments, quality = 0.095, support = 0.259, residual support = 0.218: HN VAL 65 - QD1 ILE 101 33.333% * 74.1576% (0.10 0.32 0.29) = 74.158% kept HD22 ASN 119 - QD1 ILE 101 33.333% * 22.8213% (0.10 0.10 0.02) = 22.821% kept HN ASP- 82 - QD1 ILE 101 33.333% * 3.0211% (0.06 0.02 0.02) = 3.021% kept Not enough quality. Peak unassigned. Peak 3777 (8.74, 0.55, 10.88 ppm): 5 chemical-shift based assignments, quality = 0.18, support = 4.21, residual support = 26.4: HN ILE 101 - QD1 ILE 101 20.000% * 98.2103% (0.18 4.28 26.87) = 98.210% kept HN VAL 62 - QD1 ILE 101 20.000% * 1.1443% (0.08 0.11 0.02) = 1.144% kept HN GLU- 56 - QD1 ILE 101 20.000% * 0.4554% (0.18 0.02 0.02) = 0.455% HN PHE 34 - QD1 ILE 101 20.000% * 0.1278% (0.05 0.02 0.02) = 0.128% HN VAL 40 - QD1 ILE 101 20.000% * 0.0622% (0.02 0.02 0.02) = 0.062% Peak 3778 (8.91, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.181, support = 3.0, residual support = 19.9: HN GLN 102 - QD1 ILE 101 50.000% * 99.3633% (0.18 3.02 20.00) = 99.363% kept HN ASP- 36 - QD1 ILE 101 50.000% * 0.6367% (0.05 0.08 0.02) = 0.637% Peak 3779 (9.10, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.0667, support = 1.48, residual support = 3.72: HN LYS+ 66 - QD1 ILE 101 50.000% * 90.1876% (0.07 1.61 4.12) = 90.188% kept HN GLU- 54 - QD1 ILE 101 50.000% * 9.8124% (0.05 0.24 0.02) = 9.812% kept Not enough quality. Peak unassigned. Peak 3780 (8.82, 4.39, 54.16 ppm): 3 chemical-shift based assignments, quality = 0.647, support = 1.93, residual support = 5.58: O HN ASN 57 - HA ASN 57 33.333% * 97.5135% (0.65 10.0 1.96 5.72) = 97.513% kept HN LYS+ 60 - HA ASN 57 33.333% * 2.3783% (0.74 1.0 0.42 0.02) = 2.378% kept HN LYS+ 32 - HA ASN 57 33.333% * 0.1083% (0.70 1.0 0.02 0.02) = 0.108% Peak 3781 (8.23, 4.39, 54.16 ppm): 10 chemical-shift based assignments, quality = 0.629, support = 1.8, residual support = 12.5: O HN GLY 58 - HA ASN 57 10.000% * 93.2726% (0.65 10.0 1.90 13.44) = 93.273% kept HN SER 49 - HA ASN 57 10.000% * 2.9375% (0.72 1.0 0.54 0.02) = 2.937% kept HN GLU- 45 - HA ASN 57 10.000% * 1.5008% (0.39 1.0 0.50 0.02) = 1.501% kept HN VAL 94 - HA ASN 57 10.000% * 0.8624% (0.60 1.0 0.19 0.02) = 0.862% HN LYS+ 81 - HA ASN 57 10.000% * 0.7202% (0.57 1.0 0.17 0.02) = 0.720% HN VAL 105 - HA ASN 57 10.000% * 0.5552% (0.57 1.0 0.13 0.02) = 0.555% HN LEU 67 - HA ASN 57 10.000% * 0.0865% (0.57 1.0 0.02 0.02) = 0.086% HN THR 106 - HA ASN 57 10.000% * 0.0252% (0.17 1.0 0.02 0.02) = 0.025% HN LYS+ 117 - HA ASN 57 10.000% * 0.0198% (0.13 1.0 0.02 0.02) = 0.020% HN ASP- 115 - HA ASN 57 10.000% * 0.0198% (0.13 1.0 0.02 0.02) = 0.020% Peak 3782 (4.39, 4.39, 54.16 ppm): 1 diagonal assignment: HA ASN 57 - HA ASN 57 (0.48) kept Peak 3783 (4.13, 0.80, 12.73 ppm): 8 chemical-shift based assignments, quality = 0.689, support = 0.644, residual support = 0.482: HD2 PRO 59 - QD1 ILE 100 12.500% * 81.9084% (0.72 0.77 0.58) = 81.908% kept HB THR 106 - QD1 ILE 100 12.500% * 7.8416% (0.61 0.09 0.02) = 7.842% kept HA VAL 105 - QD1 ILE 100 12.500% * 2.6960% (0.24 0.08 0.02) = 2.696% kept HA ARG+ 53 - QD1 ILE 100 12.500% * 2.0086% (0.69 0.02 0.02) = 2.009% kept HA2 GLY 71 - QD1 ILE 100 12.500% * 1.7934% (0.61 0.02 0.02) = 1.793% kept HA THR 46 - QD1 ILE 100 12.500% * 1.2680% (0.43 0.02 0.02) = 1.268% kept HB2 SER 88 - QD1 ILE 100 12.500% * 1.2680% (0.43 0.02 0.02) = 1.268% kept HA LYS+ 44 - QD1 ILE 100 12.500% * 1.2162% (0.42 0.02 0.02) = 1.216% kept Peak 3784 (4.79, 0.80, 12.73 ppm): 5 chemical-shift based assignments, quality = 0.564, support = 0.525, residual support = 0.139: HA LYS+ 113 - QD1 ILE 100 20.000% * 38.8362% (0.71 0.58 0.20) = 38.836% kept HA PRO 116 - QD1 ILE 100 20.000% * 29.9160% (0.56 0.57 0.12) = 29.916% kept HA ASP- 115 - QD1 ILE 100 20.000% * 18.9453% (0.43 0.46 0.11) = 18.945% kept HA GLU- 107 - QD1 ILE 100 20.000% * 12.0778% (0.34 0.37 0.02) = 12.078% kept HA MET 97 - QD1 ILE 100 20.000% * 0.2247% (0.12 0.02 0.02) = 0.225% Peak 3785 (8.34, 0.80, 12.73 ppm): 8 chemical-shift based assignments, quality = 0.429, support = 0.564, residual support = 0.934: HN ALA 103 - QD1 ILE 100 12.500% * 33.5126% (0.59 0.48 0.12) = 33.513% kept HN GLY 114 - QD1 ILE 100 12.500% * 26.9664% (0.40 0.56 0.12) = 26.966% kept HN VAL 99 - QD1 ILE 100 12.500% * 17.2641% (0.12 1.22 4.96) = 17.264% kept HN LYS+ 108 - QD1 ILE 100 12.500% * 12.3133% (0.37 0.28 0.02) = 12.313% kept HN GLU- 109 - QD1 ILE 100 12.500% * 7.0536% (0.64 0.09 0.02) = 7.054% kept HN GLU- 50 - QD1 ILE 100 12.500% * 1.7306% (0.72 0.02 0.02) = 1.731% kept HN ASN 76 - QD1 ILE 100 12.500% * 0.7521% (0.31 0.02 0.02) = 0.752% HN GLY 71 - QD1 ILE 100 12.500% * 0.4073% (0.17 0.02 0.02) = 0.407% Peak 3786 (8.74, 0.80, 12.73 ppm): 4 chemical-shift based assignments, quality = 0.63, support = 3.04, residual support = 8.54: HN ILE 101 - QD1 ILE 100 25.000% * 92.8739% (0.64 3.25 9.19) = 92.874% kept HN VAL 62 - QD1 ILE 100 25.000% * 6.1921% (0.59 0.24 0.11) = 6.192% kept HN GLU- 56 - QD1 ILE 100 25.000% * 0.5471% (0.61 0.02 0.02) = 0.547% HN PHE 34 - QD1 ILE 100 25.000% * 0.3868% (0.43 0.02 0.02) = 0.387% Peak 3788 (8.87, 0.80, 12.73 ppm): 2 chemical-shift based assignments, quality = 0.732, support = 0.418, residual support = 1.46: HN ILE 68 - QD1 ILE 100 50.000% * 96.8059% (0.74 0.43 1.51) = 96.806% kept HN ASP- 36 - QD1 ILE 100 50.000% * 3.1941% (0.53 0.02 0.02) = 3.194% kept Peak 3789 (9.28, 0.80, 12.73 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 0.412, residual support = 0.385: HN LEU 23 - QD1 ILE 100 50.000% * 97.8193% (0.61 0.42 0.39) = 97.819% kept HN ILE 29 - QD1 ILE 100 50.000% * 2.1807% (0.29 0.02 0.02) = 2.181% kept Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 3790 (8.24, 0.40, 14.05 ppm): 9 chemical-shift based assignments, quality = 0.788, support = 4.18, residual support = 25.1: HN SER 49 - QD1 ILE 48 11.111% * 57.1943% (0.77 5.94 39.31) = 57.194% kept HN LEU 67 - QD1 ILE 48 11.111% * 25.1591% (0.83 2.42 9.52) = 25.159% kept HN GLY 58 - QD1 ILE 48 11.111% * 12.6856% (0.82 1.23 1.60) = 12.686% kept HN LYS+ 81 - QD1 ILE 48 11.111% * 4.5364% (0.83 0.44 0.02) = 4.536% kept HN THR 106 - QD1 ILE 48 11.111% * 0.1180% (0.47 0.02 0.02) = 0.118% HN ASP- 115 - QD1 ILE 48 11.111% * 0.1015% (0.40 0.02 0.02) = 0.101% HN VAL 94 - QD1 ILE 48 11.111% * 0.0857% (0.34 0.02 0.02) = 0.086% HN VAL 105 - QD1 ILE 48 11.111% * 0.0782% (0.31 0.02 0.02) = 0.078% HN GLU- 45 - QD1 ILE 48 11.111% * 0.0413% (0.16 0.02 0.02) = 0.041% Peak 3791 (3.16, 0.73, 14.31 ppm): 9 chemical-shift based assignments, quality = 0.422, support = 0.763, residual support = 1.85: T HB3 HIS+ 98 - QD1 ILE 68 11.111% * 74.8847% (0.46 10.00 0.88 2.40) = 74.885% kept T HA1 GLY 58 - QD1 ILE 68 11.111% * 18.2750% (0.19 10.00 0.50 0.25) = 18.275% kept HD3 PRO 35 - QD1 ILE 68 11.111% * 3.4944% (0.80 1.00 0.23 0.02) = 3.494% kept HB3 PHE 34 - QD1 ILE 68 11.111% * 2.3815% (0.72 1.00 0.18 0.10) = 2.382% kept HE3 LYS+ 72 - QD1 ILE 68 11.111% * 0.4347% (0.12 1.00 0.20 0.02) = 0.435% HD2 ARG+ 53 - QD1 ILE 68 11.111% * 0.2594% (0.69 1.00 0.02 0.02) = 0.259% HD3 ARG+ 84 - QD1 ILE 68 11.111% * 0.1704% (0.46 1.00 0.02 0.02) = 0.170% HE3 LYS+ 117 - QD1 ILE 68 11.111% * 0.0500% (0.13 1.00 0.02 0.02) = 0.050% HE3 LYS+ 108 - QD1 ILE 68 11.111% * 0.0500% (0.13 1.00 0.02 0.02) = 0.050% Peak 3792 (3.18, 0.69, 14.32 ppm): 10 chemical-shift based assignments, quality = 0.367, support = 1.44, residual support = 17.6: HB3 PHE 34 - QD1 ILE 19 10.000% * 69.1033% (0.49 1.00 1.79 25.39) = 69.103% kept HD3 PRO 35 - QD1 ILE 19 10.000% * 9.9321% (0.15 1.00 0.83 0.11) = 9.932% kept T HA1 GLY 58 - QD1 ILE 68 10.000% * 9.8889% (0.02 10.00 0.50 0.25) = 9.889% kept HA1 GLY 58 - QD1 ILE 19 10.000% * 7.7952% (0.12 1.00 0.81 0.76) = 7.795% kept HB3 PHE 34 - QD1 ILE 68 10.000% * 1.3826% (0.10 1.00 0.18 0.10) = 1.383% kept HD3 ARG+ 84 - QD1 ILE 19 10.000% * 0.9532% (0.61 1.00 0.02 0.02) = 0.953% HD3 PRO 35 - QD1 ILE 68 10.000% * 0.5716% (0.03 1.00 0.23 0.02) = 0.572% HD3 ARG+ 84 - QD1 ILE 68 10.000% * 0.1944% (0.12 1.00 0.02 0.02) = 0.194% HD2 ARG+ 53 - QD1 ILE 19 10.000% * 0.1484% (0.09 1.00 0.02 0.02) = 0.148% HD2 ARG+ 53 - QD1 ILE 68 10.000% * 0.0303% (0.02 1.00 0.02 0.02) = 0.030% Peak 3793 (2.62, 0.69, 14.32 ppm): 12 chemical-shift based assignments, quality = 0.568, support = 2.33, residual support = 19.8: T HE2 LYS+ 20 - QD1 ILE 19 8.333% * 86.8799% (0.61 10.00 2.53 21.67) = 86.880% kept T HA1 GLY 58 - QD1 ILE 68 8.333% * 4.4623% (0.12 10.00 0.50 0.25) = 4.462% kept HB2 PHE 34 - QD1 ILE 19 8.333% * 3.8656% (0.27 1.00 1.98 25.39) = 3.866% kept HA1 GLY 58 - QD1 ILE 19 8.333% * 3.5175% (0.61 1.00 0.81 0.76) = 3.518% kept HE2 LYS+ 20 - QD1 ILE 68 8.333% * 0.5966% (0.12 1.00 0.67 0.74) = 0.597% HB2 PHE 34 - QD1 ILE 68 8.333% * 0.3233% (0.06 1.00 0.81 0.10) = 0.323% HB3 ASP- 36 - QD1 ILE 68 8.333% * 0.1705% (0.06 1.00 0.38 0.02) = 0.171% HB2 ASP- 25 - QD1 ILE 19 8.333% * 0.0871% (0.61 1.00 0.02 0.02) = 0.087% HB3 ASP- 36 - QD1 ILE 19 8.333% * 0.0438% (0.31 1.00 0.02 0.02) = 0.044% HB3 ASP- 82 - QD1 ILE 19 8.333% * 0.0297% (0.21 1.00 0.02 0.02) = 0.030% HB2 ASP- 25 - QD1 ILE 68 8.333% * 0.0178% (0.12 1.00 0.02 0.02) = 0.018% HB3 ASP- 82 - QD1 ILE 68 8.333% * 0.0061% (0.04 1.00 0.02 0.02) = 0.006% Peak 3794 (2.26, 0.69, 14.32 ppm): 6 chemical-shift based assignments, quality = 0.156, support = 0.589, residual support = 0.42: T HA1 GLY 58 - QD1 ILE 68 16.667% * 49.1539% (0.06 10.00 0.50 0.25) = 49.154% kept HA1 GLY 58 - QD1 ILE 19 16.667% * 38.7470% (0.27 1.00 0.81 0.76) = 38.747% kept HG2 GLU- 56 - QD1 ILE 19 16.667% * 9.3501% (0.19 1.00 0.28 0.02) = 9.350% kept HB VAL 80 - QD1 ILE 19 16.667% * 1.4825% (0.42 1.00 0.02 0.02) = 1.483% kept HG2 GLU- 56 - QD1 ILE 68 16.667% * 0.9641% (0.04 1.00 0.14 0.02) = 0.964% HB VAL 80 - QD1 ILE 68 16.667% * 0.3024% (0.09 1.00 0.02 0.02) = 0.302% Not enough quality. Peak unassigned. Peak 3795 (2.77, 0.73, 14.31 ppm): 6 chemical-shift based assignments, quality = 0.685, support = 0.493, residual support = 0.317: T HA1 GLY 58 - QD1 ILE 68 16.667% * 82.3770% (0.79 10.00 0.50 0.25) = 82.377% kept T HE3 LYS+ 20 - QD1 ILE 68 16.667% * 14.4400% (0.15 10.00 0.46 0.74) = 14.440% kept HA2 GLY 58 - QD1 ILE 68 16.667% * 1.4834% (0.12 1.00 0.61 0.25) = 1.483% kept HB3 ASN 57 - QD1 ILE 68 16.667% * 1.3186% (0.63 1.00 0.10 0.02) = 1.319% kept HB2 ASN 119 - QD1 ILE 68 16.667% * 0.2592% (0.63 1.00 0.02 0.02) = 0.259% HB3 ASN 89 - QD1 ILE 68 16.667% * 0.1218% (0.30 1.00 0.02 0.02) = 0.122% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 3796 (1.38, 0.73, 14.31 ppm): 11 chemical-shift based assignments, quality = 0.517, support = 2.14, residual support = 4.36: HG LEU 74 - QD1 ILE 68 9.091% * 38.2542% (0.42 3.94 9.35) = 38.254% kept HD3 LYS+ 20 - QD1 ILE 68 9.091% * 13.2738% (0.57 1.02 0.74) = 13.274% kept HG2 LYS+ 78 - QD1 ILE 68 9.091% * 13.2582% (0.79 0.73 0.16) = 13.258% kept HB3 LYS+ 20 - QD1 ILE 68 9.091% * 12.2579% (0.46 1.16 0.74) = 12.258% kept QG2 THR 39 - QD1 ILE 68 9.091% * 10.5834% (0.87 0.53 0.02) = 10.583% kept HG13 ILE 19 - QD1 ILE 68 9.091% * 9.9024% (0.22 1.97 5.30) = 9.902% kept HG3 ARG+ 22 - QD1 ILE 68 9.091% * 2.0857% (0.24 0.37 2.09) = 2.086% kept QB ALA 91 - QD1 ILE 68 9.091% * 0.1805% (0.39 0.02 0.02) = 0.180% QB ALA 42 - QD1 ILE 68 9.091% * 0.0797% (0.17 0.02 0.02) = 0.080% QB ALA 37 - QD1 ILE 68 9.091% * 0.0621% (0.14 0.02 0.02) = 0.062% QG2 THR 38 - QD1 ILE 68 9.091% * 0.0621% (0.14 0.02 0.02) = 0.062% Peak 3797 (1.63, 0.73, 14.31 ppm): 12 chemical-shift based assignments, quality = 0.774, support = 1.93, residual support = 10.7: HB2 LEU 67 - QD1 ILE 68 8.333% * 52.0696% (0.85 3.00 19.74) = 52.070% kept HB ILE 100 - QD1 ILE 68 8.333% * 18.8721% (0.85 1.09 1.51) = 18.872% kept HG12 ILE 101 - QD1 ILE 68 8.333% * 8.3540% (0.85 0.48 0.12) = 8.354% kept HB3 MET 97 - QD1 ILE 68 8.333% * 6.3869% (0.33 0.95 0.02) = 6.387% kept HB3 ARG+ 22 - QD1 ILE 68 8.333% * 5.2678% (0.39 0.65 2.09) = 5.268% kept HG3 LYS+ 78 - QD1 ILE 68 8.333% * 4.5200% (0.64 0.35 0.16) = 4.520% kept HG LEU 23 - QD1 ILE 68 8.333% * 3.6827% (0.87 0.21 0.02) = 3.683% kept HG3 ARG+ 84 - QD1 ILE 68 8.333% * 0.4539% (0.17 0.13 0.02) = 0.454% HG2 LYS+ 110 - QD1 ILE 68 8.333% * 0.1349% (0.33 0.02 0.02) = 0.135% HG3 LYS+ 110 - QD1 ILE 68 8.333% * 0.1226% (0.30 0.02 0.02) = 0.123% HB3 LEU 17 - QD1 ILE 68 8.333% * 0.0800% (0.20 0.02 0.02) = 0.080% HD3 LYS+ 32 - QD1 ILE 68 8.333% * 0.0554% (0.14 0.02 0.02) = 0.055% Peak 3798 (2.20, 0.83, 15.60 ppm): 16 chemical-shift based assignments, quality = 0.331, support = 0.912, residual support = 1.78: HB2 GLU- 50 - QD1 ILE 29 6.250% * 40.9200% (0.36 1.33 2.42) = 40.920% kept HA1 GLY 58 - QD1 ILE 29 6.250% * 26.4895% (0.31 1.00 2.94) = 26.490% kept HB3 PRO 52 - QD1 ILE 29 6.250% * 8.3571% (0.13 0.75 0.02) = 8.357% kept HB2 ASP- 82 - QD1 ILE 29 6.250% * 7.4890% (0.36 0.24 0.02) = 7.489% kept HG3 MET 118 - QD1 ILE 29 6.250% * 5.9934% (0.19 0.37 0.02) = 5.993% kept HG2 MET 126 - QD1 ILE 29 6.250% * 1.6277% (0.94 0.02 0.02) = 1.628% kept HB2 LYS+ 113 - QD1 ILE 29 6.250% * 1.6097% (0.93 0.02 0.34) = 1.610% kept HG3 GLU- 54 - QD1 ILE 29 6.250% * 1.4728% (0.85 0.02 0.02) = 1.473% kept HB VAL 99 - QD1 ILE 29 6.250% * 1.4245% (0.83 0.02 0.02) = 1.425% kept HB3 PRO 104 - QD1 ILE 29 6.250% * 0.9298% (0.54 0.02 0.02) = 0.930% HG3 MET 126 - QD1 ILE 29 6.250% * 0.9298% (0.54 0.02 0.02) = 0.930% HG3 GLU- 109 - QD1 ILE 29 6.250% * 0.7994% (0.46 0.02 0.02) = 0.799% HG3 GLU- 107 - QD1 ILE 29 6.250% * 0.5602% (0.32 0.02 0.02) = 0.560% HG2 GLN 102 - QD1 ILE 29 6.250% * 0.5602% (0.32 0.02 0.02) = 0.560% HG3 GLU- 18 - QD1 ILE 29 6.250% * 0.5069% (0.29 0.02 0.02) = 0.507% HB3 GLU- 75 - QD1 ILE 29 6.250% * 0.3301% (0.19 0.02 0.02) = 0.330% Peak 3799 (2.39, 0.83, 15.60 ppm): 3 chemical-shift based assignments, quality = 0.881, support = 2.88, residual support = 18.3: HB3 ASP- 28 - QD1 ILE 29 33.333% * 76.2845% (0.93 3.53 23.43) = 76.285% kept HA1 GLY 58 - QD1 ILE 29 33.333% * 15.3647% (0.67 1.00 2.94) = 15.365% kept HB2 LYS+ 78 - QD1 ILE 29 33.333% * 8.3508% (0.80 0.45 0.20) = 8.351% kept Peak 3800 (2.76, 0.83, 15.60 ppm): 6 chemical-shift based assignments, quality = 0.669, support = 0.821, residual support = 4.05: HA1 GLY 58 - QD1 ILE 29 16.667% * 59.1824% (0.88 1.00 2.94) = 59.182% kept HB2 ASN 119 - QD1 ILE 29 16.667% * 15.5370% (0.46 0.50 1.21) = 15.537% kept HB3 PHE 21 - QD1 ILE 29 16.667% * 11.4296% (0.17 1.01 18.47) = 11.430% kept HB3 ASN 57 - QD1 ILE 29 16.667% * 9.8893% (0.46 0.32 0.02) = 9.889% kept HE3 LYS+ 20 - QD1 ILE 29 16.667% * 3.7363% (0.32 0.17 0.13) = 3.736% kept HB3 ASN 89 - QD1 ILE 29 16.667% * 0.2254% (0.17 0.02 0.02) = 0.225% Peak 3801 (7.21, 0.83, 15.64 ppm): 2 chemical-shift based assignments, quality = 0.852, support = 1.5, residual support = 4.43: HH2 TRP 51 - QD1 ILE 29 50.000% * 51.1354% (0.81 1.61 4.43) = 51.135% kept HN TRP 51 - QD1 ILE 29 50.000% * 48.8646% (0.90 1.38 4.43) = 48.865% kept Peak 3802 (6.88, 0.83, 15.64 ppm): 3 chemical-shift based assignments, quality = 0.859, support = 1.37, residual support = 10.5: QD PHE 21 - QD1 ILE 29 33.333% * 47.9426% (0.86 1.50 18.47) = 47.943% kept HD21 ASN 119 - QD1 ILE 29 33.333% * 46.3209% (0.93 1.34 1.21) = 46.321% kept HZ PHE 21 - QD1 ILE 29 33.333% * 5.7365% (0.29 0.54 18.47) = 5.737% kept Peak 3803 (6.74, 0.83, 15.64 ppm): 2 chemical-shift based assignments, quality = 0.84, support = 1.42, residual support = 3.26: HZ3 TRP 51 - QD1 ILE 29 50.000% * 72.3018% (0.81 1.74 4.43) = 72.302% kept QE TYR 83 - QD1 ILE 29 50.000% * 27.6982% (0.92 0.58 0.21) = 27.698% kept Peak 3804 (9.31, 0.83, 15.64 ppm): 2 chemical-shift based assignments, quality = 0.568, support = 4.35, residual support = 51.3: HN ILE 29 - QD1 ILE 29 50.000% * 81.2177% (0.64 4.73 60.56) = 81.218% kept HN LEU 23 - QD1 ILE 29 50.000% * 18.7823% (0.26 2.70 11.48) = 18.782% kept Peak 3805 (3.87, 0.72, 16.73 ppm): 10 chemical-shift based assignments, quality = 0.265, support = 6.04, residual support = 105.9: O T HA ILE 48 - QG2 ILE 48 10.000% * 93.0466% (0.26 10.0 10.00 6.48 113.80) = 93.047% kept HA VAL 125 - QG2 ILE 48 10.000% * 3.0364% (0.55 1.0 1.00 0.31 0.02) = 3.036% kept T HA LYS+ 44 - QG2 ILE 48 10.000% * 1.5319% (0.43 1.0 10.00 0.02 0.53) = 1.532% kept HB2 SER 85 - QG2 ILE 48 10.000% * 0.8989% (0.63 1.0 1.00 0.08 0.02) = 0.899% HD2 PRO 116 - QG2 ILE 48 10.000% * 0.8091% (0.51 1.0 1.00 0.09 0.02) = 0.809% HA VAL 87 - QG2 ILE 48 10.000% * 0.2036% (0.57 1.0 1.00 0.02 0.02) = 0.204% HB3 SER 88 - QG2 ILE 48 10.000% * 0.1818% (0.51 1.0 1.00 0.02 0.02) = 0.182% HD2 PRO 86 - QG2 ILE 48 10.000% * 0.1649% (0.46 1.0 1.00 0.02 0.02) = 0.165% HD3 PRO 86 - QG2 ILE 48 10.000% * 0.0852% (0.24 1.0 1.00 0.02 0.02) = 0.085% HB3 SER 77 - QG2 ILE 48 10.000% * 0.0415% (0.12 1.0 1.00 0.02 0.02) = 0.042% Peak 3806 (4.06, 0.72, 16.73 ppm): 5 chemical-shift based assignments, quality = 0.568, support = 2.73, residual support = 33.3: HB2 SER 49 - QG2 ILE 48 20.000% * 84.5989% (0.60 1.00 3.17 39.31) = 84.599% kept HA LYS+ 63 - QG2 ILE 48 20.000% * 8.9350% (0.33 1.00 0.60 0.02) = 8.935% kept T HA LYS+ 44 - QG2 ILE 48 20.000% * 4.8069% (0.54 10.00 0.02 0.53) = 4.807% kept HB3 SER 85 - QG2 ILE 48 20.000% * 1.4498% (0.41 1.00 0.08 0.02) = 1.450% kept HB3 SER 77 - QG2 ILE 48 20.000% * 0.2094% (0.23 1.00 0.02 0.02) = 0.209% Peak 3807 (7.05, 0.02, 16.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3808 (6.88, 0.02, 16.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3809 (3.99, 0.02, 16.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3810 (4.81, 1.48, 17.39 ppm): 4 chemical-shift based assignments, quality = 0.757, support = 0.227, residual support = 0.213: HA GLU- 107 - QB ALA 70 25.000% * 90.4686% (0.80 0.25 0.23) = 90.469% kept HA MET 97 - QB ALA 70 25.000% * 4.6611% (0.51 0.02 0.02) = 4.661% kept HA LYS+ 113 - QB ALA 70 25.000% * 3.1593% (0.35 0.02 0.02) = 3.159% kept HA PRO 116 - QB ALA 70 25.000% * 1.7109% (0.19 0.02 0.02) = 1.711% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3811 (4.99, 1.48, 17.39 ppm): 2 chemical-shift based assignments, quality = 0.533, support = 0.02, residual support = 0.02: HA ILE 68 - QB ALA 70 50.000% * 69.1399% (0.64 0.02 0.02) = 69.140% kept HA PHE 34 - QB ALA 70 50.000% * 30.8601% (0.29 0.02 0.02) = 30.860% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3812 (7.97, 1.48, 17.39 ppm): 3 chemical-shift based assignments, quality = 0.497, support = 1.56, residual support = 1.02: HN LYS+ 72 - QB ALA 70 33.333% * 58.8772% (0.38 2.09 1.45) = 58.877% kept HN LEU 43 - QB ALA 70 33.333% * 40.8740% (0.67 0.81 0.40) = 40.874% kept HN MET 126 - QB ALA 70 33.333% * 0.2488% (0.17 0.02 0.02) = 0.249% Peak 3813 (8.37, 1.48, 17.39 ppm): 4 chemical-shift based assignments, quality = 0.742, support = 3.29, residual support = 13.9: HN GLY 71 - QB ALA 70 25.000% * 87.1154% (0.78 3.68 15.95) = 87.115% kept HN LYS+ 108 - QB ALA 70 25.000% * 12.0682% (0.54 0.73 0.02) = 12.068% kept HN GLU- 109 - QB ALA 70 25.000% * 0.6237% (0.26 0.08 0.02) = 0.624% HN ALA 103 - QB ALA 70 25.000% * 0.1927% (0.32 0.02 0.02) = 0.193% Peak 3814 (9.51, 1.48, 17.39 ppm): 2 chemical-shift based assignments, quality = 0.315, support = 2.0, residual support = 11.5: O HN ALA 70 - QB ALA 70 50.000% * 99.7968% (0.32 10.0 2.00 11.51) = 99.797% kept HE1 TRP 51 - QB ALA 70 50.000% * 0.2032% (0.64 1.0 0.02 0.02) = 0.203% Peak 3815 (7.28, 0.94, 17.30 ppm): 2 chemical-shift based assignments, quality = 0.588, support = 1.38, residual support = 4.65: HN ILE 48 - HG12 ILE 29 50.000% * 58.4259% (0.52 1.70 4.65) = 58.426% kept HN ILE 48 - QG2 ILE 29 50.000% * 41.5741% (0.68 0.93 4.65) = 41.574% kept Peak 3816 (4.73, 0.94, 17.30 ppm): 8 chemical-shift based assignments, quality = 0.611, support = 2.28, residual support = 6.03: HA2 GLY 30 - HG12 ILE 29 12.500% * 27.0897% (0.42 3.47 10.98) = 27.090% kept HA PRO 31 - QG2 ILE 29 12.500% * 26.9145% (0.86 1.68 0.49) = 26.914% kept HA2 GLY 30 - QG2 ILE 29 12.500% * 25.8092% (0.56 2.47 10.98) = 25.809% kept HA PRO 31 - HG12 ILE 29 12.500% * 17.1957% (0.64 1.44 0.49) = 17.196% kept HA MET 118 - QG2 ILE 29 12.500% * 1.6583% (0.41 0.22 0.02) = 1.658% kept HA MET 118 - HG12 ILE 29 12.500% * 1.1123% (0.30 0.20 0.02) = 1.112% kept HA VAL 40 - QG2 ILE 29 12.500% * 0.1261% (0.34 0.02 0.02) = 0.126% HA VAL 40 - HG12 ILE 29 12.500% * 0.0940% (0.25 0.02 0.02) = 0.094% 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 = 0.789, support = 4.31, residual support = 17.0: HN ILE 100 - QG2 ILE 100 100.000% *100.0000% (0.79 4.31 17.03) = 100.000% kept Peak 3819 (8.17, 1.56, 18.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3820 (4.02, 1.43, 18.95 ppm): 5 chemical-shift based assignments, quality = 0.525, support = 2.12, residual support = 5.52: T HB THR 38 - QB ALA 37 20.000% * 77.8214% (0.53 10.00 2.57 7.05) = 77.821% kept T HA LYS+ 44 - QB ALA 37 20.000% * 19.2545% (0.53 10.00 0.50 0.14) = 19.255% kept HB THR 39 - QB ALA 37 20.000% * 1.8072% (0.24 1.00 1.02 0.27) = 1.807% kept HB3 SER 77 - QB ALA 37 20.000% * 1.1012% (0.43 1.00 0.35 0.02) = 1.101% kept HB3 SER 85 - QB ALA 37 20.000% * 0.0157% (0.11 1.00 0.02 0.02) = 0.016% Peak 3821 (7.36, 1.14, 19.89 ppm): 1 chemical-shift based assignment, quality = 0.676, support = 1.06, residual support = 1.51: HE22 GLN 102 - QB ALA 33 100.000% *100.0000% (0.68 1.06 1.51) = 100.000% kept Peak 3822 (4.12, 0.91, 20.89 ppm): 18 chemical-shift based assignments, quality = 0.403, support = 1.06, residual support = 6.84: O HA VAL 105 - QG2 VAL 105 5.556% * 48.7148% (0.37 10.0 1.00 1.37 11.26) = 48.715% kept T HA LYS+ 44 - QG2 VAL 87 5.556% * 30.0715% (0.47 1.0 10.00 0.66 0.96) = 30.072% kept T HA LYS+ 44 - QG2 VAL 105 5.556% * 8.6289% (0.36 1.0 10.00 0.25 0.02) = 8.629% kept HB THR 106 - QG2 VAL 105 5.556% * 6.2359% (0.61 1.0 1.00 1.07 7.84) = 6.236% kept HB2 SER 88 - QG2 VAL 87 5.556% * 4.6427% (0.23 1.0 1.00 2.14 12.42) = 4.643% kept HB2 SER 88 - QG2 VAL 105 5.556% * 0.5515% (0.17 1.0 1.00 0.34 0.02) = 0.552% HA ARG+ 53 - QG2 VAL 87 5.556% * 0.1554% (0.81 1.0 1.00 0.02 0.02) = 0.155% HB THR 106 - QG2 VAL 87 5.556% * 0.1544% (0.81 1.0 1.00 0.02 0.02) = 0.154% HA THR 46 - QG2 VAL 87 5.556% * 0.1351% (0.71 1.0 1.00 0.02 0.02) = 0.135% HA ARG+ 53 - QG2 VAL 105 5.556% * 0.1170% (0.61 1.0 1.00 0.02 0.02) = 0.117% HD2 PRO 59 - QG2 VAL 87 5.556% * 0.1070% (0.56 1.0 1.00 0.02 0.02) = 0.107% HA THR 46 - QG2 VAL 105 5.556% * 0.1017% (0.53 1.0 1.00 0.02 0.02) = 0.102% HA VAL 105 - QG2 VAL 87 5.556% * 0.0945% (0.49 1.0 1.00 0.02 0.02) = 0.094% HD2 PRO 59 - QG2 VAL 105 5.556% * 0.0806% (0.42 1.0 1.00 0.02 0.02) = 0.081% HA2 GLY 71 - QG2 VAL 87 5.556% * 0.0758% (0.40 1.0 1.00 0.02 0.02) = 0.076% HA2 GLY 71 - QG2 VAL 105 5.556% * 0.0571% (0.30 1.0 1.00 0.02 0.02) = 0.057% HA ALA 70 - QG2 VAL 87 5.556% * 0.0433% (0.23 1.0 1.00 0.02 0.02) = 0.043% HA ALA 70 - QG2 VAL 105 5.556% * 0.0326% (0.17 1.0 1.00 0.02 0.02) = 0.033% Peak 3823 (7.39, 0.70, 21.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3824 (4.21, 0.70, 21.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3825 (4.38, 1.08, 21.52 ppm): 40 chemical-shift based assignments, quality = 0.177, support = 1.65, residual support = 10.9: O HA THR 95 - QG2 THR 95 2.500% * 81.8285% (0.19 10.0 1.00 1.72 11.85) = 81.829% kept HA LYS+ 60 - QG2 THR 61 2.500% * 7.7833% (0.13 1.0 1.00 2.48 12.45) = 7.783% kept HA SER 88 - QG2 THR 79 2.500% * 1.9757% (0.10 1.0 1.00 0.82 0.02) = 1.976% kept HA THR 95 - QG2 THR 61 2.500% * 1.8577% (0.12 1.0 1.00 0.65 0.02) = 1.858% kept HA THR 95 - QG2 THR 96 2.500% * 1.6218% (0.05 1.0 1.00 1.21 16.50) = 1.622% kept T HA ALA 37 - QG2 THR 95 2.500% * 1.1373% (0.23 1.0 10.00 0.02 0.02) = 1.137% kept T HA ALA 37 - QG2 THR 61 2.500% * 0.6799% (0.14 1.0 10.00 0.02 0.02) = 0.680% HA THR 95 - QG2 THR 79 2.500% * 0.5271% (0.08 1.0 1.00 0.26 0.02) = 0.527% T HA ALA 37 - QG2 THR 79 2.500% * 0.4847% (0.10 1.0 10.00 0.02 0.02) = 0.485% HA2 GLY 26 - QG2 THR 61 2.500% * 0.3884% (0.06 1.0 1.00 0.26 0.02) = 0.388% T HA ALA 37 - QG2 THR 96 2.500% * 0.3209% (0.07 1.0 10.00 0.02 0.02) = 0.321% HA TRP 51 - QG2 THR 95 2.500% * 0.1308% (0.27 1.0 1.00 0.02 0.02) = 0.131% HA ASN 57 - QG2 THR 95 2.500% * 0.1176% (0.24 1.0 1.00 0.02 0.02) = 0.118% HA SER 88 - QG2 THR 95 2.500% * 0.1137% (0.23 1.0 1.00 0.02 0.02) = 0.114% HA LYS+ 60 - QG2 THR 95 2.500% * 0.1050% (0.21 1.0 1.00 0.02 0.02) = 0.105% HA THR 38 - QG2 THR 95 2.500% * 0.0901% (0.18 1.0 1.00 0.02 0.02) = 0.090% HA TRP 51 - QG2 THR 61 2.500% * 0.0782% (0.16 1.0 1.00 0.02 0.02) = 0.078% HA ASN 57 - QG2 THR 61 2.500% * 0.0703% (0.14 1.0 1.00 0.02 0.02) = 0.070% HA SER 88 - QG2 THR 61 2.500% * 0.0680% (0.14 1.0 1.00 0.02 0.02) = 0.068% HA TRP 51 - QG2 THR 79 2.500% * 0.0558% (0.11 1.0 1.00 0.02 0.02) = 0.056% HA THR 38 - QG2 THR 61 2.500% * 0.0538% (0.11 1.0 1.00 0.02 0.02) = 0.054% HA ASN 57 - QG2 THR 79 2.500% * 0.0501% (0.10 1.0 1.00 0.02 0.02) = 0.050% HA2 GLY 26 - QG2 THR 95 2.500% * 0.0492% (0.10 1.0 1.00 0.02 0.02) = 0.049% HA LYS+ 60 - QG2 THR 79 2.500% * 0.0447% (0.09 1.0 1.00 0.02 0.02) = 0.045% HA THR 38 - QG2 THR 79 2.500% * 0.0384% (0.08 1.0 1.00 0.02 0.02) = 0.038% HA TRP 51 - QG2 THR 96 2.500% * 0.0369% (0.08 1.0 1.00 0.02 0.02) = 0.037% HA LYS+ 117 - QG2 THR 95 2.500% * 0.0365% (0.07 1.0 1.00 0.02 0.02) = 0.036% HA ASN 57 - QG2 THR 96 2.500% * 0.0332% (0.07 1.0 1.00 0.02 0.02) = 0.033% HA SER 88 - QG2 THR 96 2.500% * 0.0321% (0.07 1.0 1.00 0.02 0.02) = 0.032% HA LYS+ 60 - QG2 THR 96 2.500% * 0.0296% (0.06 1.0 1.00 0.02 0.23) = 0.030% HA THR 38 - QG2 THR 96 2.500% * 0.0254% (0.05 1.0 1.00 0.02 0.02) = 0.025% HA THR 24 - QG2 THR 95 2.500% * 0.0230% (0.05 1.0 1.00 0.02 0.02) = 0.023% HA LYS+ 117 - QG2 THR 61 2.500% * 0.0218% (0.04 1.0 1.00 0.02 0.02) = 0.022% HA2 GLY 26 - QG2 THR 79 2.500% * 0.0210% (0.04 1.0 1.00 0.02 0.02) = 0.021% HA LYS+ 117 - QG2 THR 79 2.500% * 0.0155% (0.03 1.0 1.00 0.02 0.02) = 0.016% HA2 GLY 26 - QG2 THR 96 2.500% * 0.0139% (0.03 1.0 1.00 0.02 0.02) = 0.014% HA THR 24 - QG2 THR 61 2.500% * 0.0137% (0.03 1.0 1.00 0.02 0.02) = 0.014% HA LYS+ 117 - QG2 THR 96 2.500% * 0.0103% (0.02 1.0 1.00 0.02 0.02) = 0.010% HA THR 24 - QG2 THR 79 2.500% * 0.0098% (0.02 1.0 1.00 0.02 0.02) = 0.010% HA THR 24 - QG2 THR 96 2.500% * 0.0065% (0.01 1.0 1.00 0.02 0.02) = 0.006% Peak 3826 (4.87, 1.08, 21.52 ppm): 12 chemical-shift based assignments, quality = 0.102, support = 2.4, residual support = 14.2: O HA THR 96 - QG2 THR 96 8.333% * 61.5484% (0.05 10.0 2.70 15.38) = 61.548% kept HA THR 96 - QG2 THR 95 8.333% * 27.3782% (0.19 1.0 2.51 16.50) = 27.378% kept HA THR 96 - QG2 THR 61 8.333% * 4.7118% (0.12 1.0 0.72 2.44) = 4.712% kept HA ILE 19 - QG2 THR 95 8.333% * 3.2847% (0.23 1.0 0.25 2.60) = 3.285% kept HA THR 96 - QG2 THR 79 8.333% * 1.8302% (0.08 1.0 0.39 0.02) = 1.830% kept HA ILE 19 - QG2 THR 96 8.333% * 0.5317% (0.07 1.0 0.14 23.07) = 0.532% HA SER 69 - QG2 THR 95 8.333% * 0.1943% (0.17 1.0 0.02 0.02) = 0.194% HA ILE 19 - QG2 THR 61 8.333% * 0.1558% (0.14 1.0 0.02 0.02) = 0.156% HA SER 69 - QG2 THR 61 8.333% * 0.1162% (0.10 1.0 0.02 0.02) = 0.116% HA ILE 19 - QG2 THR 79 8.333% * 0.1111% (0.10 1.0 0.02 0.02) = 0.111% HA SER 69 - QG2 THR 79 8.333% * 0.0828% (0.07 1.0 0.02 0.02) = 0.083% HA SER 69 - QG2 THR 96 8.333% * 0.0548% (0.05 1.0 0.02 0.02) = 0.055% Peak 3828 (5.36, 1.38, 22.41 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3829 (4.74, 1.10, 22.26 ppm): 4 chemical-shift based assignments, quality = 0.123, support = 0.242, residual support = 0.0796: HA PRO 31 - QG2 THR 79 25.000% * 51.0364% (0.15 0.27 0.14) = 51.036% kept HA2 GLY 30 - QG2 THR 79 25.000% * 28.6388% (0.08 0.28 0.02) = 28.639% kept HA VAL 40 - QG2 THR 79 25.000% * 17.0365% (0.11 0.12 0.02) = 17.037% kept HA MET 118 - QG2 THR 79 25.000% * 3.2883% (0.13 0.02 0.02) = 3.288% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3830 (3.47, -0.11, 21.88 ppm): 6 chemical-shift based assignments, quality = 0.702, support = 0.894, residual support = 0.836: HA1 GLY 71 - QD1 LEU 43 16.667% * 25.7938% (0.97 0.72 0.69) = 25.794% kept HD3 PRO 31 - QD1 LEU 43 16.667% * 24.5724% (0.96 0.69 0.96) = 24.572% kept HA VAL 80 - QD1 LEU 43 16.667% * 18.3125% (0.74 0.66 0.02) = 18.313% kept HA ILE 48 - QD1 LEU 43 16.667% * 16.7109% (0.26 1.74 2.14) = 16.711% kept HA VAL 62 - QD1 LEU 43 16.667% * 9.6244% (0.27 0.96 0.62) = 9.624% kept HA1 GLY 30 - QD1 LEU 43 16.667% * 4.9860% (0.19 0.70 0.02) = 4.986% kept Peak 3831 (2.59, -0.11, 21.88 ppm): 5 chemical-shift based assignments, quality = 0.823, support = 1.15, residual support = 4.1: HB2 PHE 34 - QD1 LEU 43 20.000% * 55.5107% (0.84 1.42 7.25) = 55.511% kept HA1 GLY 58 - QD1 LEU 43 20.000% * 35.7262% (0.96 0.81 0.21) = 35.726% kept HE2 LYS+ 20 - QD1 LEU 43 20.000% * 7.7106% (0.17 0.98 0.02) = 7.711% kept HB3 ASP- 36 - QD1 LEU 43 20.000% * 0.8744% (0.94 0.02 0.02) = 0.874% HB2 ASP- 25 - QD1 LEU 43 20.000% * 0.1782% (0.19 0.02 0.02) = 0.178% 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): 10 chemical-shift based assignments, quality = 0.896, support = 2.36, residual support = 5.57: HN VAL 94 - QG2 VAL 94 10.000% * 54.8407% (0.95 3.26 9.60) = 54.841% kept HN VAL 105 - QG2 VAL 94 10.000% * 29.0898% (0.95 1.73 0.94) = 29.090% kept HN GLU- 45 - QG2 VAL 94 10.000% * 8.0805% (0.85 0.54 0.24) = 8.081% kept HN GLY 58 - QG2 VAL 94 10.000% * 3.4515% (0.46 0.42 0.21) = 3.452% kept HN LYS+ 117 - QG2 VAL 94 10.000% * 2.0262% (0.46 0.25 0.02) = 2.026% kept HN ALA 33 - QG2 VAL 94 10.000% * 1.6131% (0.26 0.35 0.23) = 1.613% kept HN LEU 67 - QG2 VAL 94 10.000% * 0.4957% (0.36 0.08 0.02) = 0.496% HN SER 49 - QG2 VAL 94 10.000% * 0.2175% (0.62 0.02 0.02) = 0.217% HN LYS+ 81 - QG2 VAL 94 10.000% * 0.1262% (0.36 0.02 0.02) = 0.126% HN ASN 119 - QG2 VAL 94 10.000% * 0.0589% (0.17 0.02 0.02) = 0.059% Peak 3834 (4.26, 0.70, 21.72 ppm): 15 chemical-shift based assignments, quality = 0.461, support = 0.76, residual support = 1.11: HA ALA 91 - QG2 VAL 94 6.667% * 23.2485% (0.43 1.34 2.34) = 23.248% kept HD3 PRO 59 - QG2 VAL 94 6.667% * 17.7508% (0.45 0.96 1.98) = 17.751% kept HA ARG+ 84 - QG2 VAL 94 6.667% * 12.5470% (0.53 0.58 0.02) = 12.547% kept HA GLU- 75 - QG2 VAL 94 6.667% * 12.3684% (0.65 0.47 0.02) = 12.368% kept HA SER 85 - QG2 VAL 94 6.667% * 11.7262% (0.45 0.64 0.90) = 11.726% kept HA LYS+ 108 - QG2 VAL 94 6.667% * 7.4650% (0.43 0.43 0.25) = 7.465% kept HA VAL 65 - QG2 VAL 94 6.667% * 5.3164% (0.50 0.26 0.02) = 5.316% kept HA PRO 59 - QG2 VAL 94 6.667% * 4.4878% (0.40 0.28 1.98) = 4.488% kept HA THR 106 - QG2 VAL 94 6.667% * 2.2625% (0.15 0.38 0.02) = 2.263% kept HA GLU- 18 - QG2 VAL 94 6.667% * 1.2728% (0.09 0.35 0.02) = 1.273% kept HA GLU- 56 - QG2 VAL 94 6.667% * 0.5171% (0.64 0.02 0.02) = 0.517% HA2 GLY 114 - QG2 VAL 94 6.667% * 0.4806% (0.59 0.02 0.02) = 0.481% HA PRO 52 - QG2 VAL 94 6.667% * 0.3681% (0.45 0.02 0.02) = 0.368% HA GLU- 54 - QG2 VAL 94 6.667% * 0.1060% (0.13 0.02 0.02) = 0.106% HA SER 49 - QG2 VAL 94 6.667% * 0.0827% (0.10 0.02 0.02) = 0.083% Peak 3835 (4.80, 0.92, 21.14 ppm): 10 chemical-shift based assignments, quality = 0.256, support = 0.533, residual support = 0.0807: HA LYS+ 113 - QG2 VAL 87 10.000% * 18.6213% (0.34 0.47 0.02) = 18.621% kept HA ASP- 115 - QG2 VAL 87 10.000% * 16.9809% (0.13 1.09 0.38) = 16.981% kept HA PRO 116 - QG2 VAL 105 10.000% * 16.1465% (0.21 0.65 0.02) = 16.146% kept HA ASP- 115 - QG2 VAL 105 10.000% * 11.2664% (0.14 0.70 0.02) = 11.266% kept HA MET 97 - QG2 VAL 105 10.000% * 8.9819% (0.28 0.28 0.02) = 8.982% kept HA MET 97 - QG2 VAL 87 10.000% * 8.5583% (0.27 0.27 0.02) = 8.558% kept HA GLU- 107 - QG2 VAL 105 10.000% * 7.6738% (0.51 0.13 0.02) = 7.674% kept HA PRO 116 - QG2 VAL 87 10.000% * 5.6335% (0.20 0.24 0.02) = 5.634% kept HA LYS+ 113 - QG2 VAL 105 10.000% * 4.9674% (0.35 0.12 0.02) = 4.967% kept HA GLU- 107 - QG2 VAL 87 10.000% * 1.1700% (0.49 0.02 0.02) = 1.170% kept Peak 3836 (7.99, 1.42, 21.50 ppm): 4 chemical-shift based assignments, quality = 0.614, support = 2.08, residual support = 3.9: HN LEU 43 - QG2 THR 38 25.000% * 98.6010% (0.62 2.11 3.96) = 98.601% kept HN MET 126 - QG2 THR 38 25.000% * 0.7739% (0.52 0.02 0.02) = 0.774% HN LYS+ 111 - QG2 THR 38 25.000% * 0.3126% (0.21 0.02 0.02) = 0.313% HN SER 27 - QG2 THR 38 25.000% * 0.3126% (0.21 0.02 0.02) = 0.313% Peak 3837 (7.87, 1.42, 21.50 ppm): 4 chemical-shift based assignments, quality = 0.603, support = 3.06, residual support = 12.8: HN THR 38 - QG2 THR 38 25.000% * 84.9956% (0.65 3.42 14.93) = 84.996% kept HN LYS+ 44 - QG2 THR 38 25.000% * 14.1172% (0.35 1.04 0.65) = 14.117% kept HD22 ASN 89 - QG2 THR 38 25.000% * 0.5135% (0.67 0.02 0.02) = 0.514% HN LEU 90 - QG2 THR 38 25.000% * 0.3737% (0.49 0.02 0.02) = 0.374% Peak 3838 (7.73, 1.42, 21.50 ppm): 4 chemical-shift based assignments, quality = 0.587, support = 2.29, residual support = 2.86: HN ALA 42 - QG2 THR 38 25.000% * 83.0557% (0.67 2.38 2.04) = 83.056% kept HN ALA 37 - QG2 THR 38 25.000% * 16.5944% (0.17 1.90 7.05) = 16.594% kept HN VAL 125 - QG2 THR 38 25.000% * 0.1943% (0.19 0.02 0.02) = 0.194% HN SER 124 - QG2 THR 38 25.000% * 0.1556% (0.15 0.02 0.02) = 0.156% Peak 3839 (8.36, 1.32, 21.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3840 (8.24, 1.32, 21.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3841 (8.23, 1.11, 21.74 ppm): 36 chemical-shift based assignments, quality = 0.484, support = 0.832, residual support = 1.15: HN LYS+ 81 - QG2 THR 79 2.778% * 27.9509% (0.48 1.66 0.41) = 27.951% kept HN LYS+ 81 - QG2 THR 61 2.778% * 16.1282% (0.79 0.58 0.02) = 16.128% kept HN VAL 94 - QG2 THR 95 2.778% * 12.0632% (0.24 1.41 6.17) = 12.063% kept HN VAL 94 - QG2 THR 79 2.778% * 7.3282% (0.38 0.55 0.02) = 7.328% kept HN VAL 105 - QG2 THR 95 2.778% * 4.8353% (0.23 0.60 1.20) = 4.835% kept HN LYS+ 81 - QG2 THR 96 2.778% * 3.3547% (0.71 0.13 0.02) = 3.355% kept HN LYS+ 81 - QG2 THR 95 2.778% * 3.2034% (0.31 0.30 0.02) = 3.203% kept HN LEU 67 - QG2 THR 61 2.778% * 3.0604% (0.79 0.11 0.02) = 3.060% kept HN GLY 58 - QG2 THR 61 2.778% * 2.9336% (0.87 0.10 0.27) = 2.934% kept HN VAL 94 - QG2 THR 96 2.778% * 2.4532% (0.56 0.12 8.78) = 2.453% kept HN VAL 105 - QG2 THR 96 2.778% * 2.2182% (0.53 0.12 0.02) = 2.218% kept HN VAL 105 - QG2 THR 61 2.778% * 1.9849% (0.59 0.10 0.02) = 1.985% kept HN LEU 67 - QG2 THR 96 2.778% * 1.9612% (0.71 0.08 0.02) = 1.961% kept HN VAL 94 - QG2 THR 61 2.778% * 1.7564% (0.63 0.08 0.02) = 1.756% kept HN GLU- 45 - QG2 THR 79 2.778% * 1.6713% (0.23 0.21 0.02) = 1.671% kept HN GLU- 45 - QG2 THR 61 2.778% * 1.2661% (0.38 0.10 0.02) = 1.266% kept HN GLY 58 - QG2 THR 95 2.778% * 0.8891% (0.34 0.08 0.02) = 0.889% HN SER 49 - QG2 THR 61 2.778% * 0.6416% (0.91 0.02 0.02) = 0.642% HN SER 49 - QG2 THR 96 2.778% * 0.5742% (0.82 0.02 0.02) = 0.574% HN GLY 58 - QG2 THR 96 2.778% * 0.5444% (0.77 0.02 0.02) = 0.544% HN SER 49 - QG2 THR 79 2.778% * 0.3872% (0.55 0.02 0.02) = 0.387% HN GLY 58 - QG2 THR 79 2.778% * 0.3671% (0.52 0.02 0.02) = 0.367% HN LEU 67 - QG2 THR 79 2.778% * 0.3366% (0.48 0.02 0.02) = 0.337% HN VAL 105 - QG2 THR 79 2.778% * 0.2510% (0.36 0.02 0.02) = 0.251% HN SER 49 - QG2 THR 95 2.778% * 0.2488% (0.35 0.02 0.02) = 0.249% HN GLU- 45 - QG2 THR 96 2.778% * 0.2366% (0.34 0.02 0.02) = 0.237% HN LEU 67 - QG2 THR 95 2.778% * 0.2163% (0.31 0.02 0.16) = 0.216% HN THR 106 - QG2 THR 61 2.778% * 0.1985% (0.28 0.02 0.02) = 0.198% HN THR 106 - QG2 THR 96 2.778% * 0.1776% (0.25 0.02 0.02) = 0.178% HN ASP- 115 - QG2 THR 61 2.778% * 0.1603% (0.23 0.02 0.02) = 0.160% HN ASP- 115 - QG2 THR 96 2.778% * 0.1435% (0.20 0.02 0.69) = 0.143% HN THR 106 - QG2 THR 79 2.778% * 0.1198% (0.17 0.02 0.02) = 0.120% HN GLU- 45 - QG2 THR 95 2.778% * 0.1025% (0.15 0.02 0.02) = 0.103% HN ASP- 115 - QG2 THR 79 2.778% * 0.0968% (0.14 0.02 0.02) = 0.097% HN THR 106 - QG2 THR 95 2.778% * 0.0770% (0.11 0.02 0.02) = 0.077% HN ASP- 115 - QG2 THR 95 2.778% * 0.0622% (0.09 0.02 0.02) = 0.062% Peak 3842 (7.83, 1.11, 21.74 ppm): 12 chemical-shift based assignments, quality = 0.877, support = 2.13, residual support = 2.04: HN LYS+ 63 - QG2 THR 61 8.333% * 83.9059% (0.91 2.47 2.43) = 83.906% kept HN LYS+ 63 - QG2 THR 96 8.333% * 13.0904% (0.82 0.43 0.02) = 13.090% kept HN LYS+ 63 - QG2 THR 95 8.333% * 1.1253% (0.35 0.09 0.02) = 1.125% kept HN LYS+ 63 - QG2 THR 79 8.333% * 0.4093% (0.55 0.02 0.02) = 0.409% HN LYS+ 55 - QG2 THR 61 8.333% * 0.3576% (0.48 0.02 0.02) = 0.358% HN LYS+ 55 - QG2 THR 96 8.333% * 0.3201% (0.43 0.02 0.02) = 0.320% HN LYS+ 55 - QG2 THR 79 8.333% * 0.2158% (0.29 0.02 0.02) = 0.216% HN ALA 93 - QG2 THR 61 8.333% * 0.1513% (0.20 0.02 0.02) = 0.151% HN LYS+ 55 - QG2 THR 95 8.333% * 0.1387% (0.19 0.02 0.02) = 0.139% HN ALA 93 - QG2 THR 96 8.333% * 0.1354% (0.18 0.02 0.02) = 0.135% HN ALA 93 - QG2 THR 79 8.333% * 0.0913% (0.12 0.02 0.02) = 0.091% HN ALA 93 - QG2 THR 95 8.333% * 0.0587% (0.08 0.02 0.02) = 0.059% Peak 3843 (8.33, 0.59, 22.44 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3844 (-0.03, -0.02, 22.27 ppm): 1 diagonal assignment: QD1 LEU 74 - QD1 LEU 74 (0.03) kept Peak 3845 (-0.11, 1.42, 21.48 ppm): 1 chemical-shift based assignment, quality = 0.708, support = 1.04, residual support = 3.96: T QD1 LEU 43 - QG2 THR 38 100.000% *100.0000% (0.71 10.00 1.04 3.96) = 100.000% kept Peak 3846 (2.23, 1.32, 21.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3847 (1.67, 1.08, 21.47 ppm): 15 chemical-shift based assignments, quality = 0.0854, support = 0.654, residual support = 0.6: T HB3 MET 97 - QG2 THR 95 6.667% * 57.5283% (0.11 10.00 0.71 0.28) = 57.528% kept T HB3 MET 97 - QG2 THR 96 6.667% * 21.6190% (0.03 10.00 0.89 2.01) = 21.619% kept T HB3 MET 97 - QG2 THR 61 6.667% * 14.3116% (0.07 10.00 0.29 0.02) = 14.312% kept HG3 ARG+ 84 - QG2 THR 95 6.667% * 2.4099% (0.15 1.00 0.22 0.02) = 2.410% kept HB3 ARG+ 22 - QG2 THR 95 6.667% * 1.6988% (0.10 1.00 0.24 0.21) = 1.699% kept HG3 ARG+ 84 - QG2 THR 96 6.667% * 0.6169% (0.05 1.00 0.18 0.52) = 0.617% HG3 ARG+ 84 - QG2 THR 61 6.667% * 0.5300% (0.09 1.00 0.08 0.02) = 0.530% HB3 ARG+ 22 - QG2 THR 96 6.667% * 0.4349% (0.03 1.00 0.21 0.02) = 0.435% HB3 MET 126 - QG2 THR 95 6.667% * 0.2605% (0.18 1.00 0.02 0.02) = 0.260% HB3 MET 126 - QG2 THR 61 6.667% * 0.1589% (0.11 1.00 0.02 0.02) = 0.159% HD3 LYS+ 55 - QG2 THR 95 6.667% * 0.1398% (0.10 1.00 0.02 0.02) = 0.140% HD3 LYS+ 55 - QG2 THR 61 6.667% * 0.0853% (0.06 1.00 0.02 0.02) = 0.085% HB3 ARG+ 22 - QG2 THR 61 6.667% * 0.0853% (0.06 1.00 0.02 0.02) = 0.085% HB3 MET 126 - QG2 THR 96 6.667% * 0.0786% (0.05 1.00 0.02 0.02) = 0.079% HD3 LYS+ 55 - QG2 THR 96 6.667% * 0.0422% (0.03 1.00 0.02 0.02) = 0.042% Not enough quality. Peak unassigned. Peak 3848 (1.83, 0.82, 21.38 ppm): 9 chemical-shift based assignments, quality = 0.449, support = 1.75, residual support = 4.39: T HB3 LYS+ 72 - QG1 VAL 94 11.111% * 59.5793% (0.34 10.00 1.94 6.19) = 59.579% kept HB2 PRO 59 - QG1 VAL 94 11.111% * 13.0215% (0.76 1.00 1.90 1.98) = 13.022% kept HB3 PRO 59 - QG1 VAL 94 11.111% * 9.5864% (0.72 1.00 1.48 1.98) = 9.586% kept HB2 PRO 104 - QG1 VAL 94 11.111% * 5.9382% (0.31 1.00 2.11 1.36) = 5.938% kept HD3 LYS+ 117 - QG1 VAL 94 11.111% * 4.4139% (0.55 1.00 0.89 0.02) = 4.414% kept HD3 LYS+ 72 - QG1 VAL 94 11.111% * 2.8921% (0.40 1.00 0.80 6.19) = 2.892% kept HB2 LYS+ 66 - QG1 VAL 94 11.111% * 2.2762% (0.63 1.00 0.40 0.02) = 2.276% kept HG3 PRO 112 - QG1 VAL 94 11.111% * 1.5694% (0.72 1.00 0.24 0.02) = 1.569% kept HB2 GLU- 109 - QG1 VAL 94 11.111% * 0.7230% (0.31 1.00 0.26 0.02) = 0.723% Peak 3849 (1.99, 0.82, 21.38 ppm): 11 chemical-shift based assignments, quality = 0.397, support = 0.973, residual support = 0.829: T HB VAL 105 - QG1 VAL 94 9.091% * 75.3998% (0.40 10.00 1.06 0.94) = 75.400% kept HG3 PRO 104 - QG1 VAL 94 9.091% * 7.5552% (0.37 1.00 1.15 1.36) = 7.555% kept HB2 LYS+ 108 - QG1 VAL 94 9.091% * 5.4848% (0.72 1.00 0.43 0.25) = 5.485% kept HG2 PRO 116 - QG1 VAL 94 9.091% * 2.3524% (0.19 1.00 0.70 0.16) = 2.352% kept HB3 PRO 112 - QG1 VAL 94 9.091% * 2.2793% (0.17 1.00 0.76 0.02) = 2.279% kept HG2 PRO 86 - QG1 VAL 94 9.091% * 2.0845% (0.49 1.00 0.24 0.02) = 2.085% kept HB2 PRO 112 - QG1 VAL 94 9.091% * 1.7930% (0.13 1.00 0.76 0.02) = 1.793% kept HB2 GLU- 18 - QG1 VAL 94 9.091% * 1.6458% (0.34 1.00 0.27 0.02) = 1.646% kept HB VAL 73 - QG1 VAL 94 9.091% * 1.2515% (0.31 1.00 0.23 0.02) = 1.252% kept HG2 GLU- 64 - QG1 VAL 94 9.091% * 0.1011% (0.28 1.00 0.02 0.02) = 0.101% HB3 GLU- 75 - QG1 VAL 94 9.091% * 0.0525% (0.15 1.00 0.02 0.02) = 0.052% Peak 3850 (4.01, 0.82, 21.38 ppm): 6 chemical-shift based assignments, quality = 0.544, support = 0.633, residual support = 1.74: HA LYS+ 44 - QG1 VAL 94 16.667% * 49.6899% (0.74 0.66 0.49) = 49.690% kept HB THR 95 - QG1 VAL 94 16.667% * 24.0579% (0.23 1.02 6.17) = 24.058% kept HA1 GLY 92 - QG1 VAL 94 16.667% * 9.9491% (0.23 0.42 0.02) = 9.949% kept HB THR 39 - QG1 VAL 94 16.667% * 7.6413% (0.58 0.13 0.02) = 7.641% kept HB THR 38 - QG1 VAL 94 16.667% * 7.3472% (0.58 0.13 0.02) = 7.347% kept HB3 SER 77 - QG1 VAL 94 16.667% * 1.3147% (0.65 0.02 0.02) = 1.315% kept Peak 3851 (3.89, 0.92, 21.03 ppm): 20 chemical-shift based assignments, quality = 0.38, support = 0.953, residual support = 5.06: T HA LYS+ 44 - QG2 VAL 87 5.000% * 28.9810% (0.53 1.0 10.00 0.66 0.96) = 28.981% kept O HA VAL 87 - QG2 VAL 87 5.000% * 28.1477% (0.20 10.0 1.00 1.75 14.06) = 28.148% kept T HA ILE 48 - QG2 VAL 105 5.000% * 11.4404% (0.21 1.0 10.00 0.67 0.02) = 11.440% kept T HA LYS+ 44 - QG2 VAL 105 5.000% * 9.4303% (0.46 1.0 10.00 0.25 0.02) = 9.430% kept HD2 PRO 86 - QG2 VAL 87 5.000% * 6.5244% (0.67 1.0 1.00 1.19 8.20) = 6.524% kept HD2 PRO 116 - QG2 VAL 87 5.000% * 3.8123% (0.64 1.0 1.00 0.73 0.02) = 3.812% kept T HA VAL 125 - QG2 VAL 105 5.000% * 3.6369% (0.51 1.0 10.00 0.09 0.02) = 3.637% kept HD2 PRO 116 - QG2 VAL 105 5.000% * 2.4799% (0.54 1.0 1.00 0.56 0.02) = 2.480% kept HB3 SER 88 - QG2 VAL 87 5.000% * 2.2659% (0.14 1.0 1.00 1.98 12.42) = 2.266% kept T HA VAL 125 - QG2 VAL 87 5.000% * 0.9681% (0.59 1.0 10.00 0.02 0.02) = 0.968% T HB2 SER 77 - QG2 VAL 87 5.000% * 0.4765% (0.29 1.0 10.00 0.02 0.02) = 0.477% T HB2 SER 77 - QG2 VAL 105 5.000% * 0.4068% (0.25 1.0 10.00 0.02 0.02) = 0.407% T HA ILE 48 - QG2 VAL 87 5.000% * 0.3993% (0.24 1.0 10.00 0.02 0.02) = 0.399% T HB3 SER 77 - QG2 VAL 87 5.000% * 0.3498% (0.21 1.0 10.00 0.02 0.02) = 0.350% T HB3 SER 77 - QG2 VAL 105 5.000% * 0.2986% (0.18 1.0 10.00 0.02 0.02) = 0.299% HA VAL 87 - QG2 VAL 105 5.000% * 0.1471% (0.17 1.0 1.00 0.11 0.02) = 0.147% HD2 PRO 86 - QG2 VAL 105 5.000% * 0.0936% (0.57 1.0 1.00 0.02 0.02) = 0.094% HB2 SER 85 - QG2 VAL 87 5.000% * 0.0656% (0.40 1.0 1.00 0.02 0.02) = 0.066% HB2 SER 85 - QG2 VAL 105 5.000% * 0.0560% (0.34 1.0 1.00 0.02 0.02) = 0.056% HB3 SER 88 - QG2 VAL 105 5.000% * 0.0196% (0.12 1.0 1.00 0.02 0.02) = 0.020% Peak 3852 (1.86, 0.68, 21.81 ppm): 8 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 3.19: HB3 LYS+ 72 - QG2 VAL 94 12.500% * 39.8041% (0.81 2.78 6.19) = 39.804% kept HB2 PRO 104 - QG2 VAL 94 12.500% * 32.3805% (0.83 2.21 1.36) = 32.381% kept HB3 PRO 59 - QG2 VAL 94 12.500% * 9.1308% (0.36 1.43 1.98) = 9.131% kept HB2 LYS+ 66 - QG2 VAL 94 12.500% * 6.3417% (0.49 0.72 0.02) = 6.342% kept HB3 ARG+ 84 - QG2 VAL 94 12.500% * 5.4806% (0.33 0.94 0.02) = 5.481% kept HB2 PRO 59 - QG2 VAL 94 12.500% * 5.1864% (0.22 1.34 1.98) = 5.186% kept HG3 PRO 112 - QG2 VAL 94 12.500% * 1.5702% (0.36 0.25 0.02) = 1.570% kept HG3 LYS+ 120 - QG2 VAL 94 12.500% * 0.1058% (0.30 0.02 0.02) = 0.106% Peak 3853 (1.36, 0.68, 21.81 ppm): 8 chemical-shift based assignments, quality = 0.783, support = 1.32, residual support = 1.56: HB3 LYS+ 20 - QG2 VAL 94 12.500% * 34.3841% (0.83 1.92 2.57) = 34.384% kept QB ALA 91 - QG2 VAL 94 12.500% * 24.7446% (0.86 1.33 2.34) = 24.745% kept HG13 ILE 19 - QG2 VAL 94 12.500% * 21.7147% (0.86 1.17 0.19) = 21.715% kept HG LEU 74 - QG2 VAL 94 12.500% * 6.6347% (0.48 0.64 0.72) = 6.635% kept HB2 LEU 17 - QG2 VAL 94 12.500% * 4.2062% (0.46 0.42 0.02) = 4.206% kept HG2 LYS+ 78 - QG2 VAL 94 12.500% * 3.7920% (0.53 0.33 0.02) = 3.792% kept HG3 ARG+ 22 - QG2 VAL 94 12.500% * 2.9365% (0.87 0.16 0.14) = 2.936% kept QG2 THR 39 - QG2 VAL 94 12.500% * 1.5872% (0.36 0.20 0.02) = 1.587% kept Peak 3854 (1.98, 0.68, 21.81 ppm): 11 chemical-shift based assignments, quality = 0.561, support = 0.943, residual support = 0.548: HG3 PRO 104 - QG2 VAL 94 9.091% * 27.0225% (0.63 1.16 1.36) = 27.023% kept HB2 LYS+ 108 - QG2 VAL 94 9.091% * 24.0367% (0.87 0.75 0.25) = 24.037% kept HB VAL 73 - QG2 VAL 94 9.091% * 18.5090% (0.56 0.89 0.02) = 18.509% kept HB VAL 105 - QG2 VAL 94 9.091% * 12.1770% (0.27 1.23 0.94) = 12.177% kept HB2 GLU- 18 - QG2 VAL 94 9.091% * 8.1411% (0.22 1.02 0.02) = 8.141% kept HB3 GLU- 109 - QG2 VAL 94 9.091% * 5.5211% (0.22 0.69 0.02) = 5.521% kept HG2 PRO 86 - QG2 VAL 94 9.091% * 3.8225% (0.36 0.29 0.02) = 3.823% kept HB3 GLU- 75 - QG2 VAL 94 9.091% * 0.4021% (0.14 0.08 0.02) = 0.402% HB VAL 122 - QG2 VAL 94 9.091% * 0.1425% (0.19 0.02 0.16) = 0.142% HG2 GLU- 64 - QG2 VAL 94 9.091% * 0.1267% (0.17 0.02 0.02) = 0.127% HG3 PRO 116 - QG2 VAL 94 9.091% * 0.0988% (0.13 0.02 0.16) = 0.099% Peak 3855 (1.45, 0.70, 21.32 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3856 (8.18, 0.73, 22.10 ppm): 5 chemical-shift based assignments, quality = 0.0188, support = 0.338, residual support = 0.166: HN ALA 33 - QG2 VAL 94 20.000% * 51.1581% (0.02 0.35 0.23) = 51.158% kept HN LYS+ 117 - QG2 VAL 94 20.000% * 25.2692% (0.02 0.25 0.02) = 25.269% kept HN GLU- 45 - QG2 VAL 94 20.000% * 18.2064% (0.01 0.54 0.24) = 18.206% kept HN ASN 119 - QG2 VAL 94 20.000% * 3.4784% (0.03 0.02 0.02) = 3.478% kept HN SER 41 - QG2 VAL 94 20.000% * 1.8879% (0.02 0.02 0.02) = 1.888% kept Not enough quality. Peak unassigned. Peak 3857 (8.73, 0.73, 22.10 ppm): 4 chemical-shift based assignments, quality = 0.0221, support = 0.02, residual support = 0.02: HN GLU- 56 - QG2 VAL 94 25.000% * 37.6303% (0.03 0.02 0.02) = 37.630% kept HN ILE 101 - QG2 VAL 94 25.000% * 36.0745% (0.03 0.02 0.02) = 36.075% kept HN VAL 40 - QG2 VAL 94 25.000% * 20.1981% (0.01 0.02 0.02) = 20.198% kept HN VAL 62 - QG2 VAL 94 25.000% * 6.0971% (0.00 0.02 0.02) = 6.097% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3858 (4.27, 0.68, 21.70 ppm): 13 chemical-shift based assignments, quality = 0.833, support = 0.816, residual support = 1.18: HA ALA 91 - QG2 VAL 94 7.692% * 26.7853% (0.90 1.34 2.34) = 26.785% kept HD3 PRO 59 - QG2 VAL 94 7.692% * 19.6494% (0.92 0.96 1.98) = 19.649% kept HA SER 85 - QG2 VAL 94 7.692% * 12.9804% (0.92 0.64 0.90) = 12.980% kept HA ARG+ 84 - QG2 VAL 94 7.692% * 12.3185% (0.95 0.58 0.02) = 12.318% kept HA GLU- 75 - QG2 VAL 94 7.692% * 8.8177% (0.85 0.47 0.02) = 8.818% kept HA VAL 65 - QG2 VAL 94 7.692% * 5.4325% (0.94 0.26 0.02) = 5.433% kept HA LEU 90 - QG2 VAL 94 7.692% * 4.4399% (0.36 0.56 0.02) = 4.440% kept HA THR 106 - QG2 VAL 94 7.692% * 4.2126% (0.50 0.38 0.02) = 4.213% kept HA LYS+ 108 - QG2 VAL 94 7.692% * 2.8062% (0.29 0.43 0.25) = 2.806% kept HA PRO 59 - QG2 VAL 94 7.692% * 1.6209% (0.26 0.28 1.98) = 1.621% kept HA PRO 52 - QG2 VAL 94 7.692% * 0.4075% (0.92 0.02 0.02) = 0.407% HA GLU- 56 - QG2 VAL 94 7.692% * 0.2900% (0.65 0.02 0.02) = 0.290% HA2 GLY 114 - QG2 VAL 94 7.692% * 0.2390% (0.54 0.02 0.02) = 0.239% Peak 3859 (2.75, 0.58, 22.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3860 (2.95, 0.58, 22.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3861 (9.37, 1.54, 22.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3862 (8.18, 1.38, 22.40 ppm): 5 chemical-shift based assignments, quality = 0.532, support = 1.05, residual support = 1.03: HN LYS+ 117 - QG2 THR 39 20.000% * 56.4791% (0.60 1.07 1.20) = 56.479% kept HN SER 41 - QG2 THR 39 20.000% * 40.0312% (0.41 1.12 0.86) = 40.031% kept HN ASN 119 - QG2 THR 39 20.000% * 1.6474% (0.94 0.02 0.02) = 1.647% kept HN ALA 33 - QG2 THR 39 20.000% * 1.4546% (0.83 0.02 0.02) = 1.455% kept HN GLU- 45 - QG2 THR 39 20.000% * 0.3877% (0.22 0.02 0.02) = 0.388% Peak 3863 (8.08, -0.03, 22.30 ppm): 4 chemical-shift based assignments, quality = 0.312, support = 2.58, residual support = 4.86: HN CYS 121 - QD1 LEU 74 25.000% * 53.7471% (0.37 2.73 5.25) = 53.747% kept HN VAL 122 - QD1 LEU 74 25.000% * 35.6014% (0.22 2.98 5.46) = 35.601% kept HN LYS+ 110 - QD1 LEU 74 25.000% * 9.8351% (0.37 0.50 1.01) = 9.835% kept HN MET 118 - QD1 LEU 74 25.000% * 0.8164% (0.16 0.09 0.02) = 0.816% Peak 3864 (6.74, -0.03, 22.30 ppm): 2 chemical-shift based assignments, quality = 0.357, support = 2.24, residual support = 11.4: QE TYR 83 - QD1 LEU 74 50.000% * 99.1975% (0.36 2.26 11.45) = 99.198% kept HZ3 TRP 51 - QD1 LEU 74 50.000% * 0.8025% (0.33 0.02 0.02) = 0.802% Peak 3865 (4.97, -0.03, 22.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3866 (1.16, 0.11, 22.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 16 chemical-shift based assignments, quality = 0.613, support = 3.1, residual support = 37.2: O T HB VAL 47 - QG1 VAL 47 6.250% * 76.5446% (0.74 10.0 10.00 3.08 37.60) = 76.545% kept O T HB VAL 47 - QG2 VAL 47 6.250% * 22.3053% (0.22 10.0 10.00 3.33 37.60) = 22.305% kept HB3 GLU- 75 - QG1 VAL 47 6.250% * 0.5974% (0.62 1.0 1.00 0.19 0.02) = 0.597% HA1 GLY 58 - QG1 VAL 47 6.250% * 0.1123% (0.23 1.0 1.00 0.10 0.02) = 0.112% HB3 LYS+ 78 - QG1 VAL 47 6.250% * 0.0947% (0.91 1.0 1.00 0.02 0.02) = 0.095% HG3 GLN 102 - QG1 VAL 47 6.250% * 0.0904% (0.87 1.0 1.00 0.02 0.26) = 0.090% HB2 ASP- 28 - QG1 VAL 47 6.250% * 0.0765% (0.74 1.0 1.00 0.02 0.02) = 0.077% HG2 PRO 104 - QG1 VAL 47 6.250% * 0.0465% (0.45 1.0 1.00 0.02 0.02) = 0.047% HB3 LYS+ 78 - QG2 VAL 47 6.250% * 0.0276% (0.27 1.0 1.00 0.02 0.02) = 0.028% HG3 GLN 102 - QG2 VAL 47 6.250% * 0.0264% (0.25 1.0 1.00 0.02 0.26) = 0.026% HB2 ASP- 28 - QG2 VAL 47 6.250% * 0.0223% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB3 GLU- 75 - QG2 VAL 47 6.250% * 0.0188% (0.18 1.0 1.00 0.02 0.02) = 0.019% HG2 PRO 104 - QG2 VAL 47 6.250% * 0.0136% (0.13 1.0 1.00 0.02 0.02) = 0.014% HG2 GLN 102 - QG1 VAL 47 6.250% * 0.0129% (0.12 1.0 1.00 0.02 0.26) = 0.013% HA1 GLY 58 - QG2 VAL 47 6.250% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HG2 GLN 102 - QG2 VAL 47 6.250% * 0.0038% (0.04 1.0 1.00 0.02 0.26) = 0.004% Peak 3872 (0.89, 0.90, 22.11 ppm): 2 diagonal assignments: QG1 VAL 47 - QG1 VAL 47 (0.90) kept QG2 VAL 47 - QG2 VAL 47 (0.15) kept Peak 3873 (0.94, 0.95, 22.08 ppm): 1 diagonal assignment: QG2 VAL 62 - QG2 VAL 62 (0.23) kept Peak 3874 (1.95, 0.93, 22.15 ppm): 22 chemical-shift based assignments, quality = 0.153, support = 0.365, residual support = 0.111: T HB VAL 73 - QG2 VAL 62 4.545% * 72.4456% (0.15 10.00 0.45 0.15) = 72.446% kept HB3 LYS+ 55 - QG2 VAL 62 4.545% * 6.9625% (0.29 1.00 0.23 0.02) = 6.962% kept HB3 GLU- 109 - QG2 VAL 62 4.545% * 5.2360% (0.28 1.00 0.18 0.02) = 5.236% kept HG3 PRO 104 - QG1 VAL 47 4.545% * 4.2941% (0.15 1.00 0.27 0.02) = 4.294% kept T HB ILE 29 - QG2 VAL 62 4.545% * 1.4632% (0.07 10.00 0.02 0.02) = 1.463% kept HB ILE 29 - QG1 VAL 47 4.545% * 0.9851% (0.08 1.00 0.11 0.02) = 0.985% HG3 PRO 116 - QG1 VAL 47 4.545% * 0.7575% (0.36 1.00 0.02 0.02) = 0.757% HG3 PRO 31 - QG1 VAL 47 4.545% * 0.7310% (0.35 1.00 0.02 0.02) = 0.731% HB3 LYS+ 55 - QG1 VAL 47 4.545% * 0.7134% (0.34 1.00 0.02 0.02) = 0.713% HB VAL 122 - QG1 VAL 47 4.545% * 0.7134% (0.34 1.00 0.02 0.02) = 0.713% HB3 GLU- 109 - QG1 VAL 47 4.545% * 0.6930% (0.33 1.00 0.02 0.02) = 0.693% HG3 PRO 116 - QG2 VAL 62 4.545% * 0.6442% (0.31 1.00 0.02 0.02) = 0.644% HG3 PRO 31 - QG2 VAL 62 4.545% * 0.6217% (0.30 1.00 0.02 0.02) = 0.622% HB VAL 122 - QG2 VAL 62 4.545% * 0.6067% (0.29 1.00 0.02 0.02) = 0.607% HB2 GLU- 75 - QG1 VAL 47 4.545% * 0.5906% (0.28 1.00 0.02 0.02) = 0.591% HB2 GLU- 75 - QG2 VAL 62 4.545% * 0.5023% (0.24 1.00 0.02 0.02) = 0.502% HG2 PRO 112 - QG1 VAL 47 4.545% * 0.4066% (0.19 1.00 0.02 0.02) = 0.407% HB VAL 73 - QG1 VAL 47 4.545% * 0.3761% (0.18 1.00 0.02 0.02) = 0.376% HB2 PRO 116 - QG1 VAL 47 4.545% * 0.3465% (0.17 1.00 0.02 0.02) = 0.346% HG2 PRO 112 - QG2 VAL 62 4.545% * 0.3458% (0.17 1.00 0.02 0.02) = 0.346% HB2 PRO 116 - QG2 VAL 62 4.545% * 0.2947% (0.14 1.00 0.02 0.02) = 0.295% HG3 PRO 104 - QG2 VAL 62 4.545% * 0.2702% (0.13 1.00 0.02 0.02) = 0.270% Not enough quality. Peak unassigned. Peak 3875 (0.93, 0.93, 22.15 ppm): 2 diagonal assignments: QG2 VAL 62 - QG2 VAL 62 (0.18) 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 = 0.109, support = 1.67, residual support = 12.8: T HB THR 61 - QG2 VAL 62 12.500% * 96.2275% (0.11 10.00 1.73 13.30) = 96.227% kept HA2 GLY 26 - QG2 VAL 62 12.500% * 1.3539% (0.06 1.00 0.43 0.02) = 1.354% kept T HA VAL 94 - QG2 VAL 62 12.500% * 1.0481% (0.10 10.00 0.02 0.02) = 1.048% kept HA1 GLY 26 - QG2 VAL 62 12.500% * 0.7619% (0.10 1.00 0.15 0.02) = 0.762% HA LYS+ 117 - QG2 VAL 62 12.500% * 0.5387% (0.08 1.00 0.14 0.02) = 0.539% HA THR 38 - QG2 VAL 62 12.500% * 0.0301% (0.03 1.00 0.02 0.02) = 0.030% HA LYS+ 60 - QG2 VAL 62 12.500% * 0.0212% (0.02 1.00 0.02 0.25) = 0.021% HA PRO 112 - QG2 VAL 62 12.500% * 0.0186% (0.02 1.00 0.02 0.02) = 0.019% Peak 3877 (7.07, 0.95, 22.14 ppm): 1 chemical-shift based assignment, quality = 0.187, support = 0.141, residual support = 0.141: QD TYR 83 - QG2 VAL 62 100.000% *100.0000% (0.19 0.14 0.14) = 100.000% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3878 (6.87, 1.32, 21.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3879 (3.18, 1.42, 21.49 ppm): 5 chemical-shift based assignments, quality = 0.538, support = 1.22, residual support = 2.92: HB3 PHE 34 - QG2 THR 38 20.000% * 78.0727% (0.62 1.40 3.71) = 78.073% kept HD3 PRO 35 - QG2 THR 38 20.000% * 14.9517% (0.24 0.70 0.12) = 14.952% kept HA1 GLY 58 - QG2 THR 38 20.000% * 5.4534% (0.14 0.43 0.02) = 5.453% kept HD3 ARG+ 84 - QG2 THR 38 20.000% * 1.2445% (0.69 0.02 0.02) = 1.244% kept HD2 ARG+ 53 - QG2 THR 38 20.000% * 0.2777% (0.15 0.02 0.02) = 0.278% 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): 18 chemical-shift based assignments, quality = 0.553, support = 0.106, residual support = 0.0282: HA ASN 76 - HA VAL 73 5.556% * 62.3634% (0.68 0.16 0.02) = 62.363% kept HA CYS 123 - HA VAL 73 5.556% * 7.2674% (0.63 0.02 0.02) = 7.267% kept HA SER 77 - HA VAL 73 5.556% * 6.5758% (0.57 0.02 0.02) = 6.576% kept HB THR 46 - HA VAL 73 5.556% * 3.5296% (0.31 0.02 0.02) = 3.530% kept HA LYS+ 55 - HA VAL 73 5.556% * 3.5296% (0.31 0.02 0.02) = 3.530% kept HA LYS+ 32 - HA VAL 73 5.556% * 2.9547% (0.26 0.02 0.27) = 2.955% kept HA PRO 86 - HA VAL 73 5.556% * 2.4299% (0.21 0.02 0.02) = 2.430% kept HA ILE 100 - HA VAL 73 5.556% * 1.9631% (0.17 0.02 0.02) = 1.963% kept HA ILE 101 - HA VAL 73 5.556% * 1.7527% (0.15 0.02 0.10) = 1.753% kept HA ASN 76 - HA LYS+ 110 5.556% * 1.5840% (0.14 0.02 0.02) = 1.584% kept HA CYS 123 - HA LYS+ 110 5.556% * 1.4654% (0.13 0.02 0.02) = 1.465% kept HA SER 77 - HA LYS+ 110 5.556% * 1.3260% (0.11 0.02 0.02) = 1.326% kept HB THR 46 - HA LYS+ 110 5.556% * 0.7117% (0.06 0.02 0.02) = 0.712% HA LYS+ 55 - HA LYS+ 110 5.556% * 0.7117% (0.06 0.02 0.02) = 0.712% HA LYS+ 32 - HA LYS+ 110 5.556% * 0.5958% (0.05 0.02 0.02) = 0.596% HA PRO 86 - HA LYS+ 110 5.556% * 0.4900% (0.04 0.02 0.02) = 0.490% HA ILE 100 - HA LYS+ 110 5.556% * 0.3958% (0.03 0.02 0.02) = 0.396% HA ILE 101 - HA LYS+ 110 5.556% * 0.3534% (0.03 0.02 0.02) = 0.353% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 3883 (4.18, 4.18, 62.74 ppm): 1 diagonal assignment: HA VAL 73 - HA VAL 73 (0.67) kept Peak 3884 (1.98, 4.38, 63.05 ppm): 11 chemical-shift based assignments, quality = 0.208, support = 1.65, residual support = 3.43: HG3 PRO 104 - HA THR 95 9.091% * 62.4660% (0.23 2.23 5.19) = 62.466% kept HB VAL 105 - HA THR 95 9.091% * 15.6954% (0.10 1.32 1.20) = 15.695% kept HB2 LYS+ 108 - HA THR 95 9.091% * 9.1443% (0.32 0.24 0.02) = 9.144% kept HB VAL 73 - HA THR 95 9.091% * 6.2694% (0.21 0.25 0.02) = 6.269% kept HB3 GLU- 109 - HA THR 95 9.091% * 2.8360% (0.08 0.30 0.02) = 2.836% kept HG2 PRO 86 - HA THR 95 9.091% * 2.8304% (0.13 0.18 0.02) = 2.830% kept HB2 GLU- 18 - HA THR 95 9.091% * 0.1921% (0.08 0.02 0.32) = 0.192% HB VAL 122 - HA THR 95 9.091% * 0.1715% (0.07 0.02 0.02) = 0.172% HG2 GLU- 64 - HA THR 95 9.091% * 0.1524% (0.06 0.02 0.02) = 0.152% HB3 GLU- 75 - HA THR 95 9.091% * 0.1236% (0.05 0.02 0.02) = 0.124% HG3 PRO 116 - HA THR 95 9.091% * 0.1189% (0.05 0.02 0.02) = 0.119% Peak 3885 (1.84, 4.38, 63.05 ppm): 9 chemical-shift based assignments, quality = 0.218, support = 1.48, residual support = 3.02: T HB2 PRO 104 - HA THR 95 11.111% * 52.9936% (0.19 10.00 2.15 5.19) = 52.994% kept T HB3 LYS+ 72 - HA THR 95 11.111% * 26.3492% (0.21 10.00 0.93 0.57) = 26.349% kept T HB2 LYS+ 66 - HA THR 95 11.111% * 13.5691% (0.31 10.00 0.32 0.27) = 13.569% kept HB2 PRO 59 - HA THR 95 11.111% * 4.2368% (0.30 1.00 1.03 1.27) = 4.237% kept HB3 PRO 59 - HA THR 95 11.111% * 1.9691% (0.32 1.00 0.45 1.27) = 1.969% kept HD3 LYS+ 72 - HA THR 95 11.111% * 0.4741% (0.11 1.00 0.32 0.57) = 0.474% HG3 PRO 112 - HA THR 95 11.111% * 0.3404% (0.32 1.00 0.08 0.02) = 0.340% HD3 LYS+ 117 - HA THR 95 11.111% * 0.0460% (0.17 1.00 0.02 0.02) = 0.046% HB2 GLU- 109 - HA THR 95 11.111% * 0.0218% (0.08 1.00 0.02 0.02) = 0.022% Peak 3886 (0.10, 1.31, 22.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peaks: selected : 1897 with diagonal assignment : 171 without assignment possibility : 684 with one assignment possibility : 42 with multiple assignment possibilities : 1000 with given assignment possibilities : 0 with unique volume contribution : 146 with multiple volume contributions : 896 eliminated by violation filter : 0 Peaks: selected : 1897 without assignment : 892 with assignment : 1005 with unique assignment : 262 with multiple assignment : 743 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 : 1005 Atoms with eliminated volume contribution > 2.5: HG LEU 17 2.7 QD1 LEU 17 3.1 QD2 LEU 17 2.8 QD2 LEU 23 3.0 HA LYS+ 44 9.4 HA ILE 48 3.8 HG3 GLU- 56 3.3 HA1 GLY 58 15.3 HA PRO 59 3.6 HB VAL 62 3.3 QG2 VAL 62 6.8 HN LYS+ 66 2.7 QD1 ILE 68 2.8 HB3 SER 69 5.4 HA VAL 73 7.1 HB VAL 73 3.3 HG LEU 74 16.2 QD1 LEU 74 3.0 HB3 SER 77 2.7 HB3 ASP- 82 3.0 HG3 ARG+ 84 2.5 QD1 LEU 90 2.9 QG2 VAL 94 4.0 HB3 MET 97 3.0 QG2 ILE 101 7.1 QD1 ILE 101 5.9 HB2 PRO 104 3.8 HA THR 106 2.6 HG3 LYS+ 108 8.0 QG2 VAL 125 3.1 HB3 MET 126 4.9 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): 8 chemical-shift based assignments, quality = 0.561, support = 0.967, residual support = 2.07: T HA VAL 80 - QD TYR 83 12.500% * 90.0551% (0.55 10.00 1.04 2.29) = 90.055% kept HB THR 79 - QD TYR 83 12.500% * 4.0914% (0.89 1.00 0.29 0.02) = 4.091% kept HB2 SER 69 - QD TYR 83 12.500% * 3.4551% (0.86 1.00 0.25 0.02) = 3.455% kept HA ILE 48 - QD TYR 83 12.500% * 1.7748% (0.18 1.00 0.61 0.02) = 1.775% kept HA VAL 62 - QD TYR 83 12.500% * 0.3003% (0.95 1.00 0.02 0.14) = 0.300% HA THR 39 - QD TYR 83 12.500% * 0.2224% (0.70 1.00 0.02 0.02) = 0.222% HA1 GLY 71 - QD TYR 83 12.500% * 0.0536% (0.17 1.00 0.02 0.02) = 0.054% HD3 PRO 31 - QD TYR 83 12.500% * 0.0473% (0.15 1.00 0.02 0.02) = 0.047% Peak 259 (7.68, 7.05, 133.65 ppm): 1 chemical-shift based assignment, quality = 0.717, support = 5.3, residual support = 56.0: * HN TYR 83 - QD TYR 83 100.000% *100.0000% (0.72 5.30 56.01) = 100.000% kept Peak 272 (4.67, 7.06, 133.71 ppm): 7 chemical-shift based assignments, quality = 0.864, support = 3.2, residual support = 43.4: * HA TYR 83 - QD TYR 83 14.286% * 77.3940% (0.93 4.00 56.01) = 77.394% kept HA ASN 89 - QD TYR 83 14.286% * 8.7200% (0.74 0.56 0.02) = 8.720% kept HA ASN 119 - QD TYR 83 14.286% * 6.7042% (0.71 0.45 0.02) = 6.704% kept HA THR 61 - QD TYR 83 14.286% * 5.8381% (0.60 0.47 0.02) = 5.838% kept HA LYS+ 120 - QD TYR 83 14.286% * 0.9581% (0.60 0.08 0.02) = 0.958% HA ASP- 36 - QD TYR 83 14.286% * 0.2660% (0.64 0.02 0.02) = 0.266% HA LYS+ 20 - QD TYR 83 14.286% * 0.1195% (0.29 0.02 0.02) = 0.120% Peak 273 (3.35, 7.06, 133.69 ppm): 1 chemical-shift based assignment, quality = 0.836, support = 3.45, residual support = 56.0: O T HB3 TYR 83 - QD TYR 83 100.000% *100.0000% (0.84 10.0 10.00 3.45 56.01) = 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): 6 chemical-shift based assignments, quality = 0.834, support = 3.51, residual support = 38.1: O T HB3 PHE 34 - QD PHE 34 16.667% * 85.0527% (0.86 10.0 10.00 3.83 44.73) = 85.053% kept HD3 PRO 35 - QD PHE 34 16.667% * 10.0767% (0.89 1.0 1.00 2.29 0.48) = 10.077% kept T HA1 GLY 58 - QD PHE 34 16.667% * 4.6924% (0.22 1.0 10.00 0.43 0.10) = 4.692% kept HD2 ARG+ 53 - QD PHE 34 16.667% * 0.0749% (0.76 1.0 1.00 0.02 0.02) = 0.075% HD3 ARG+ 84 - QD PHE 34 16.667% * 0.0555% (0.56 1.0 1.00 0.02 0.02) = 0.056% HB3 HIS+ 98 - QD PHE 34 16.667% * 0.0477% (0.48 1.0 1.00 0.02 0.02) = 0.048% Peak 288 (2.61, 7.32, 133.37 ppm): 6 chemical-shift based assignments, quality = 0.791, support = 2.85, residual support = 31.3: * O T HB2 PHE 34 - QD PHE 34 16.667% * 69.5469% (0.74 10.0 10.00 3.54 44.73) = 69.547% kept T HA1 GLY 58 - QD PHE 34 16.667% * 19.4486% (0.97 1.0 10.00 0.43 0.10) = 19.449% kept HE2 LYS+ 20 - QD PHE 34 16.667% * 10.6684% (0.81 1.0 1.00 2.81 1.77) = 10.668% kept HB3 ASP- 36 - QD PHE 34 16.667% * 0.2449% (0.65 1.0 1.00 0.08 0.02) = 0.245% HB2 ASP- 25 - QD PHE 34 16.667% * 0.0789% (0.84 1.0 1.00 0.02 0.02) = 0.079% HB3 ASP- 82 - QD PHE 34 16.667% * 0.0123% (0.13 1.0 1.00 0.02 0.02) = 0.012% Peak 289 (1.57, 7.32, 133.45 ppm): 9 chemical-shift based assignments, quality = 0.757, support = 3.08, residual support = 19.8: T HB ILE 19 - QD PHE 34 11.111% * 51.5579% (0.96 10.00 3.89 25.39) = 51.558% kept T HB3 LYS+ 32 - QD PHE 34 11.111% * 29.4503% (0.55 10.00 2.79 17.88) = 29.450% kept T HD3 LYS+ 60 - QD PHE 34 11.111% * 9.6988% (0.92 10.00 0.39 0.02) = 9.699% kept T HD3 LYS+ 32 - QD PHE 34 11.111% * 8.0262% (0.15 10.00 2.62 17.88) = 8.026% kept HG3 LYS+ 60 - QD PHE 34 11.111% * 0.8802% (0.97 1.00 0.34 0.02) = 0.880% T HB3 LEU 90 - QD PHE 34 11.111% * 0.2945% (0.55 10.00 0.02 0.02) = 0.295% HG LEU 17 - QD PHE 34 11.111% * 0.0510% (0.95 1.00 0.02 0.02) = 0.051% HG13 ILE 29 - QD PHE 34 11.111% * 0.0233% (0.43 1.00 0.02 0.02) = 0.023% QG2 THR 24 - QD PHE 34 11.111% * 0.0177% (0.33 1.00 0.02 0.02) = 0.018% Peak 290 (1.41, 7.32, 133.40 ppm): 11 chemical-shift based assignments, quality = 0.918, support = 1.99, residual support = 3.28: T QG2 THR 38 - QD PHE 34 9.091% * 85.8634% (0.96 10.00 2.15 3.71) = 85.863% kept HD3 LYS+ 20 - QD PHE 34 9.091% * 3.2814% (0.45 1.00 1.65 1.77) = 3.281% kept QB ALA 42 - QD PHE 34 9.091% * 3.0703% (0.92 1.00 0.75 0.22) = 3.070% kept HG LEU 74 - QD PHE 34 9.091% * 2.6704% (0.39 1.00 1.52 1.09) = 2.670% kept QB ALA 37 - QD PHE 34 9.091% * 2.6656% (0.96 1.00 0.62 0.02) = 2.666% kept HD3 LYS+ 44 - QD PHE 34 9.091% * 1.7253% (0.89 1.00 0.43 0.02) = 1.725% kept HB3 LYS+ 60 - QD PHE 34 9.091% * 0.5147% (0.34 1.00 0.34 0.02) = 0.515% HG3 LYS+ 108 - QD PHE 34 9.091% * 0.0798% (0.89 1.00 0.02 0.02) = 0.080% HD3 LYS+ 113 - QD PHE 34 9.091% * 0.0540% (0.60 1.00 0.02 0.02) = 0.054% HG3 LYS+ 55 - QD PHE 34 9.091% * 0.0504% (0.56 1.00 0.02 0.02) = 0.050% HG LEU 90 - QD PHE 34 9.091% * 0.0247% (0.28 1.00 0.02 0.02) = 0.025% Peak 291 (0.69, 7.32, 133.42 ppm): 8 chemical-shift based assignments, quality = 0.96, support = 4.39, residual support = 23.8: QD1 ILE 19 - QD PHE 34 12.500% * 60.0574% (1.00 5.50 25.39) = 60.057% kept HG12 ILE 19 - QD PHE 34 12.500% * 33.6642% (0.98 3.14 25.39) = 33.664% kept HG2 PRO 59 - QD PHE 34 12.500% * 3.4187% (0.69 0.46 0.02) = 3.419% kept QG2 ILE 48 - QD PHE 34 12.500% * 2.2789% (0.28 0.75 0.68) = 2.279% kept QG2 VAL 94 - QD PHE 34 12.500% * 0.2165% (0.99 0.02 0.02) = 0.217% HG LEU 67 - QD PHE 34 12.500% * 0.1586% (0.73 0.02 0.02) = 0.159% QG1 VAL 62 - QD PHE 34 12.500% * 0.1237% (0.57 0.02 0.02) = 0.124% QG2 ILE 101 - QD PHE 34 12.500% * 0.0820% (0.38 0.02 0.02) = 0.082% Peak 295 (8.92, 6.88, 131.84 ppm): 4 chemical-shift based assignments, quality = 0.253, support = 3.4, residual support = 15.3: * HN PHE 21 - QD PHE 21 25.000% * 59.4775% (0.31 3.63 22.28) = 59.477% kept HN ARG+ 22 - QD PHE 21 25.000% * 33.5135% (0.17 3.61 6.24) = 33.513% kept HN THR 96 - QD PHE 21 25.000% * 6.1591% (0.22 0.52 0.02) = 6.159% kept HN GLN 102 - QD PHE 21 25.000% * 0.8499% (0.79 0.02 0.02) = 0.850% Peak 297 (7.02, 6.88, 131.81 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 2.74, residual support = 22.3: O T QE PHE 21 - QD PHE 21 100.000% *100.0000% (0.44 10.0 10.00 2.74 22.28) = 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): 6 chemical-shift based assignments, quality = 0.642, support = 2.12, residual support = 21.8: O HB2 PHE 21 - QD PHE 21 16.667% * 97.7448% (0.65 10.0 2.16 22.28) = 97.745% kept HA1 GLY 58 - QD PHE 21 16.667% * 2.0958% (0.53 1.0 0.52 0.02) = 2.096% kept HE3 LYS+ 113 - QD PHE 21 16.667% * 0.0534% (0.35 1.0 0.02 0.02) = 0.053% HE2 LYS+ 117 - QD PHE 21 16.667% * 0.0485% (0.32 1.0 0.02 0.02) = 0.049% HB3 ASN 76 - QD PHE 21 16.667% * 0.0355% (0.23 1.0 0.02 0.02) = 0.035% HE3 LYS+ 55 - QD PHE 21 16.667% * 0.0220% (0.15 1.0 0.02 0.02) = 0.022% Peak 300 (2.76, 6.88, 131.84 ppm): 6 chemical-shift based assignments, quality = 0.499, support = 2.71, residual support = 18.9: O HB3 PHE 21 - QD PHE 21 16.667% * 82.1586% (0.45 10.0 1.00 2.94 22.28) = 82.159% kept HE3 LYS+ 20 - QD PHE 21 16.667% * 12.9341% (0.69 1.0 1.00 2.06 4.90) = 12.934% kept HA1 GLY 58 - QD PHE 21 16.667% * 4.4574% (0.93 1.0 1.00 0.52 0.02) = 4.457% kept T HB2 ASN 119 - QD PHE 21 16.667% * 0.3627% (0.20 1.0 10.00 0.02 0.02) = 0.363% HB3 ASP- 115 - QD PHE 21 16.667% * 0.0510% (0.28 1.0 1.00 0.02 0.02) = 0.051% HB3 ASN 57 - QD PHE 21 16.667% * 0.0363% (0.20 1.0 1.00 0.02 0.02) = 0.036% Peak 301 (1.94, 6.89, 131.81 ppm): 14 chemical-shift based assignments, quality = 0.759, support = 4.34, residual support = 17.3: T HB ILE 29 - QD PHE 21 7.143% * 93.8403% (0.79 10.00 4.59 18.47) = 93.840% kept HB2 LEU 23 - QD PHE 21 7.143% * 3.2087% (0.52 1.00 1.04 0.35) = 3.209% kept HB2 PRO 116 - QD PHE 21 7.143% * 0.8911% (0.97 1.00 0.16 0.02) = 0.891% HG3 PRO 31 - QD PHE 21 7.143% * 0.7512% (0.75 1.00 0.17 0.31) = 0.751% HB2 GLU- 75 - QD PHE 21 7.143% * 0.5885% (0.93 1.00 0.11 0.02) = 0.589% HG3 PRO 116 - QD PHE 21 7.143% * 0.2499% (0.44 1.00 0.10 0.02) = 0.250% HG2 PRO 112 - QD PHE 21 7.143% * 0.1169% (0.99 1.00 0.02 0.02) = 0.117% HB3 LYS+ 55 - QD PHE 21 7.143% * 0.0938% (0.79 1.00 0.02 0.02) = 0.094% HB3 PRO 35 - QD PHE 21 7.143% * 0.0758% (0.64 1.00 0.02 0.02) = 0.076% HB3 GLU- 56 - QD PHE 21 7.143% * 0.0570% (0.48 1.00 0.02 0.02) = 0.057% HB VAL 122 - QD PHE 21 7.143% * 0.0400% (0.34 1.00 0.02 0.02) = 0.040% HB3 GLU- 109 - QD PHE 21 7.143% * 0.0362% (0.30 1.00 0.02 0.02) = 0.036% HD3 LYS+ 63 - QD PHE 21 7.143% * 0.0326% (0.27 1.00 0.02 0.02) = 0.033% HB3 GLN 102 - QD PHE 21 7.143% * 0.0181% (0.15 1.00 0.02 0.02) = 0.018% Peak 302 (1.66, 6.88, 131.76 ppm): 5 chemical-shift based assignments, quality = 0.71, support = 1.63, residual support = 3.5: HB3 ARG+ 22 - QD PHE 21 20.000% * 53.8393% (0.64 2.52 6.24) = 53.839% kept HB3 MET 97 - QD PHE 21 20.000% * 17.2260% (0.71 0.73 0.42) = 17.226% kept HB3 MET 126 - QD PHE 21 20.000% * 16.9546% (0.83 0.61 0.36) = 16.955% kept HG3 ARG+ 84 - QD PHE 21 20.000% * 11.7467% (0.88 0.40 0.02) = 11.747% kept HD3 LYS+ 55 - QD PHE 21 20.000% * 0.2333% (0.35 0.02 0.02) = 0.233% Peak 303 (0.94, 6.88, 131.84 ppm): 10 chemical-shift based assignments, quality = 0.877, support = 1.69, residual support = 10.8: HG12 ILE 29 - QD PHE 21 10.000% * 28.9170% (0.97 2.20 18.47) = 28.917% kept QG2 ILE 29 - QD PHE 21 10.000% * 25.3645% (0.90 2.07 18.47) = 25.365% kept HG LEU 74 - QD PHE 21 10.000% * 17.1816% (0.67 1.88 2.42) = 17.182% kept HG12 ILE 68 - QD PHE 21 10.000% * 12.9415% (0.90 1.06 2.35) = 12.941% kept QD1 LEU 17 - QD PHE 21 10.000% * 8.4427% (0.95 0.65 0.33) = 8.443% kept QG1 VAL 105 - QD PHE 21 10.000% * 4.4464% (0.97 0.34 0.02) = 4.446% kept QG2 VAL 62 - QD PHE 21 10.000% * 1.6838% (0.95 0.13 0.02) = 1.684% kept QG2 VAL 73 - QD PHE 21 10.000% * 0.6495% (0.45 0.11 0.02) = 0.649% HG3 LYS+ 63 - QD PHE 21 10.000% * 0.2185% (0.80 0.02 0.02) = 0.219% QG2 VAL 99 - QD PHE 21 10.000% * 0.1545% (0.57 0.02 0.02) = 0.154% 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): 10 chemical-shift based assignments, quality = 0.695, support = 3.66, residual support = 18.5: T HB3 LYS+ 32 - QE PHE 34 10.000% * 40.5648% (0.90 10.00 4.58 17.88) = 40.565% kept T HB ILE 19 - QE PHE 34 10.000% * 29.4561% (0.65 10.00 3.76 25.39) = 29.456% kept T HD3 LYS+ 32 - QE PHE 34 10.000% * 20.8730% (0.46 10.00 3.07 17.88) = 20.873% kept T HD3 LYS+ 60 - QE PHE 34 10.000% * 7.6150% (0.54 10.00 0.63 0.02) = 7.615% kept HG3 LYS+ 60 - QE PHE 34 10.000% * 0.5906% (0.69 1.00 0.38 0.02) = 0.591% HG LEU 17 - QE PHE 34 10.000% * 0.4678% (0.62 1.00 0.34 0.02) = 0.468% HB3 LEU 17 - QE PHE 34 10.000% * 0.2714% (0.36 1.00 0.34 0.02) = 0.271% T HB3 LEU 90 - QE PHE 34 10.000% * 0.0849% (0.19 10.00 0.02 0.02) = 0.085% HG3 LYS+ 110 - QE PHE 34 10.000% * 0.0405% (0.24 1.00 0.08 0.02) = 0.040% HG2 LYS+ 110 - QE PHE 34 10.000% * 0.0361% (0.21 1.00 0.08 0.02) = 0.036% Peak 314 (1.40, 7.35, 131.45 ppm): 9 chemical-shift based assignments, quality = 0.625, support = 1.4, residual support = 3.02: T QG2 THR 38 - QE PHE 34 11.111% * 73.4234% (0.62 10.00 1.38 3.71) = 73.423% kept HD3 LYS+ 20 - QE PHE 34 11.111% * 14.2097% (0.78 1.00 2.11 1.77) = 14.210% kept QB ALA 42 - QE PHE 34 11.111% * 4.4055% (0.68 1.00 0.76 0.22) = 4.406% kept HG LEU 74 - QE PHE 34 11.111% * 3.3420% (0.35 1.00 1.10 1.09) = 3.342% kept QB ALA 37 - QE PHE 34 11.111% * 3.1711% (0.62 1.00 0.59 0.02) = 3.171% kept HD3 LYS+ 44 - QE PHE 34 11.111% * 0.8131% (0.28 1.00 0.34 0.02) = 0.813% QG2 THR 39 - QE PHE 34 11.111% * 0.5527% (0.33 1.00 0.19 0.02) = 0.553% HG3 LYS+ 108 - QE PHE 34 11.111% * 0.0476% (0.28 1.00 0.02 0.02) = 0.048% HG2 LYS+ 78 - QE PHE 34 11.111% * 0.0348% (0.20 1.00 0.02 0.02) = 0.035% Peak 318 (0.69, 7.34, 131.43 ppm): 8 chemical-shift based assignments, quality = 0.849, support = 4.15, residual support = 24.1: QD1 ILE 19 - QE PHE 34 12.500% * 56.1021% (0.89 4.88 25.39) = 56.102% kept HG12 ILE 19 - QE PHE 34 12.500% * 38.6141% (0.83 3.61 25.39) = 38.614% kept HG2 PRO 59 - QE PHE 34 12.500% * 3.3788% (0.77 0.34 0.02) = 3.379% kept QG2 ILE 48 - QE PHE 34 12.500% * 1.2548% (0.38 0.26 0.68) = 1.255% kept QG2 VAL 94 - QE PHE 34 12.500% * 0.2200% (0.85 0.02 0.02) = 0.220% HG LEU 67 - QE PHE 34 12.500% * 0.2068% (0.80 0.02 0.02) = 0.207% QG2 ILE 101 - QE PHE 34 12.500% * 0.1254% (0.49 0.02 0.02) = 0.125% QG1 VAL 62 - QE PHE 34 12.500% * 0.0980% (0.38 0.02 0.02) = 0.098% Peak 320 (7.34, 7.04, 130.49 ppm): 7 chemical-shift based assignments, quality = 0.589, support = 0.687, residual support = 0.265: HZ PHE 34 - QE PHE 21 14.286% * 53.2872% (0.71 0.87 0.29) = 53.287% kept QD PHE 34 - QE PHE 21 14.286% * 20.5872% (0.32 0.75 0.29) = 20.587% kept QE PHE 34 - QE PHE 21 14.286% * 16.9486% (0.71 0.28 0.29) = 16.949% kept HN ARG+ 84 - QE PHE 21 14.286% * 7.0389% (0.24 0.34 0.02) = 7.039% kept HZ2 TRP 51 - QE PHE 21 14.286% * 1.2295% (0.71 0.02 0.02) = 1.229% kept HN VAL 47 - QE PHE 21 14.286% * 0.4543% (0.26 0.02 0.21) = 0.454% HE22 GLN 102 - QE PHE 21 14.286% * 0.4543% (0.26 0.02 0.02) = 0.454% Peak 321 (7.05, 7.04, 130.39 ppm): 1 diagonal assignment: * QE PHE 21 - QE PHE 21 (0.94) kept Peak 322 (0.92, 7.04, 130.39 ppm): 14 chemical-shift based assignments, quality = 0.547, support = 0.681, residual support = 5.51: HG LEU 74 - QE PHE 21 7.143% * 22.2327% (0.62 0.95 2.42) = 22.233% kept QD1 LEU 17 - QE PHE 21 7.143% * 18.6337% (0.78 0.63 0.33) = 18.634% kept HG12 ILE 29 - QE PHE 21 7.143% * 14.4958% (0.44 0.87 18.47) = 14.496% kept QG2 ILE 29 - QE PHE 21 7.143% * 10.7238% (0.33 0.85 18.47) = 10.724% kept QD1 LEU 67 - QE PHE 21 7.143% * 10.0895% (0.37 0.72 0.02) = 10.090% kept QG2 VAL 73 - QE PHE 21 7.143% * 7.6443% (0.95 0.21 0.02) = 7.644% kept HG12 ILE 68 - QE PHE 21 7.143% * 5.3720% (0.33 0.42 2.35) = 5.372% kept HG13 ILE 68 - QE PHE 21 7.143% * 5.0539% (0.44 0.30 2.35) = 5.054% kept QG2 VAL 105 - QE PHE 21 7.143% * 2.4722% (0.27 0.24 0.02) = 2.472% kept QG2 VAL 62 - QE PHE 21 7.143% * 1.9935% (0.40 0.13 0.02) = 1.993% kept QG1 VAL 105 - QE PHE 21 7.143% * 0.5681% (0.75 0.02 0.02) = 0.568% QG2 VAL 87 - QE PHE 21 7.143% * 0.3056% (0.40 0.02 0.02) = 0.306% QG1 VAL 47 - QE PHE 21 7.143% * 0.2294% (0.30 0.02 0.21) = 0.229% HG3 LYS+ 63 - QE PHE 21 7.143% * 0.1854% (0.24 0.02 0.02) = 0.185% Peak 323 (6.89, 7.04, 130.37 ppm): 2 chemical-shift based assignments, quality = 0.974, support = 2.74, residual support = 22.3: O QD PHE 21 - QE PHE 21 50.000% * 99.9096% (0.97 10.0 2.74 22.28) = 99.910% kept HD21 ASN 119 - QE PHE 21 50.000% * 0.0904% (0.88 1.0 0.02 0.02) = 0.090% 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): 10 chemical-shift based assignments, quality = 0.758, support = 3.21, residual support = 18.1: T HB3 LYS+ 32 - HZ PHE 34 10.000% * 42.9452% (0.93 10.00 3.81 17.88) = 42.945% kept T HD3 LYS+ 32 - HZ PHE 34 10.000% * 37.1692% (0.81 10.00 3.39 17.88) = 37.169% kept T HB ILE 19 - HZ PHE 34 10.000% * 14.8431% (0.33 10.00 1.96 25.39) = 14.843% kept T HD3 LYS+ 60 - HZ PHE 34 10.000% * 4.0689% (0.24 10.00 0.73 0.02) = 4.069% kept HB3 LEU 17 - HZ PHE 34 10.000% * 0.5231% (0.70 1.00 0.32 0.02) = 0.523% HG LEU 17 - HZ PHE 34 10.000% * 0.2223% (0.30 1.00 0.32 0.02) = 0.222% HG3 LYS+ 110 - HZ PHE 34 10.000% * 0.1045% (0.55 1.00 0.08 0.02) = 0.104% HG2 LYS+ 110 - HZ PHE 34 10.000% * 0.0971% (0.51 1.00 0.08 0.02) = 0.097% HG3 LYS+ 60 - HZ PHE 34 10.000% * 0.0167% (0.36 1.00 0.02 0.02) = 0.017% HG3 LYS+ 78 - HZ PHE 34 10.000% * 0.0099% (0.21 1.00 0.02 0.02) = 0.010% Peak 333 (1.32, 7.33, 128.67 ppm): 5 chemical-shift based assignments, quality = 0.635, support = 0.78, residual support = 0.639: HG LEU 74 - HZ PHE 34 20.000% * 52.1004% (0.63 1.12 1.09) = 52.100% kept QB ALA 103 - HZ PHE 34 20.000% * 27.0714% (0.88 0.41 0.25) = 27.071% kept QG2 THR 46 - HZ PHE 34 20.000% * 12.3857% (0.36 0.47 0.02) = 12.386% kept HB2 LEU 17 - HZ PHE 34 20.000% * 8.1617% (0.33 0.34 0.02) = 8.162% kept HB2 LYS+ 55 - HZ PHE 34 20.000% * 0.2808% (0.19 0.02 0.02) = 0.281% Peak 334 (9.49, 7.15, 128.31 ppm): 3 chemical-shift based assignments, quality = 0.864, support = 1.87, residual support = 56.0: * O HE1 TRP 51 - HD1 TRP 51 33.333% * 99.8568% (0.87 10.0 1.88 56.12) = 99.857% kept HN ALA 70 - HD1 TRP 51 33.333% * 0.1217% (0.99 1.0 0.02 0.02) = 0.122% HN HIS+ 98 - HD1 TRP 51 33.333% * 0.0215% (0.17 1.0 0.02 0.02) = 0.021% Peak 338 (7.16, 7.15, 128.32 ppm): 1 diagonal assignment: * HD1 TRP 51 - HD1 TRP 51 (0.95) kept Peak 341 (3.04, 7.15, 128.34 ppm): 2 chemical-shift based assignments, quality = 0.663, support = 2.65, residual support = 54.5: O HB2 TRP 51 - HD1 TRP 51 50.000% * 96.8270% (0.67 10.0 2.70 56.12) = 96.827% kept HA1 GLY 58 - HD1 TRP 51 50.000% * 3.1730% (0.41 1.0 1.07 3.68) = 3.173% kept Peak 342 (1.79, 7.15, 128.34 ppm): 13 chemical-shift based assignments, quality = 0.721, support = 0.21, residual support = 0.0676: HB3 GLU- 18 - HD1 TRP 51 7.692% * 47.2700% (0.68 0.35 0.12) = 47.270% kept HB3 ARG+ 53 - HD1 TRP 51 7.692% * 22.7235% (0.68 0.17 0.02) = 22.723% kept HG2 PRO 31 - HD1 TRP 51 7.692% * 3.9141% (0.99 0.02 0.02) = 3.914% kept HB3 PRO 116 - HD1 TRP 51 7.692% * 3.8881% (0.98 0.02 0.02) = 3.888% kept HB3 LYS+ 63 - HD1 TRP 51 7.692% * 3.8451% (0.97 0.02 0.02) = 3.845% kept HB2 LYS+ 117 - HD1 TRP 51 7.692% * 3.4027% (0.86 0.02 0.02) = 3.403% kept HB3 LYS+ 113 - HD1 TRP 51 7.692% * 3.4027% (0.86 0.02 0.02) = 3.403% kept HB3 LYS+ 108 - HD1 TRP 51 7.692% * 3.2766% (0.83 0.02 0.02) = 3.277% kept HB3 LYS+ 117 - HD1 TRP 51 7.692% * 3.1411% (0.80 0.02 0.02) = 3.141% kept HB3 LYS+ 44 - HD1 TRP 51 7.692% * 2.6946% (0.68 0.02 0.02) = 2.695% kept HB2 GLU- 109 - HD1 TRP 51 7.692% * 0.9782% (0.25 0.02 0.02) = 0.978% HB2 ARG+ 84 - HD1 TRP 51 7.692% * 0.7763% (0.20 0.02 0.02) = 0.776% HD3 LYS+ 72 - HD1 TRP 51 7.692% * 0.6870% (0.17 0.02 0.02) = 0.687% Not enough support, support cutoff is 0.25 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 = 1.62, residual support = 55.9: * O HZ2 TRP 51 - HH2 TRP 51 16.667% * 99.5400% (0.99 10.0 1.63 56.12) = 99.540% kept HZ PHE 34 - HH2 TRP 51 16.667% * 0.1225% (0.99 1.0 0.02 0.02) = 0.123% QE PHE 34 - HH2 TRP 51 16.667% * 0.1225% (0.99 1.0 0.02 0.02) = 0.123% QD PHE 34 - HH2 TRP 51 16.667% * 0.0800% (0.64 1.0 0.02 0.02) = 0.080% HN VAL 47 - HH2 TRP 51 16.667% * 0.0700% (0.56 1.0 0.02 3.01) = 0.070% HN ARG+ 84 - HH2 TRP 51 16.667% * 0.0650% (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 = 56.1: * O HZ3 TRP 51 - HH2 TRP 51 50.000% * 99.9200% (0.99 10.0 2.16 56.12) = 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): 2 chemical-shift based assignments, quality = 0.816, support = 3.84, residual support = 19.6: T QD1 LEU 23 - HH2 TRP 51 50.000% * 90.1120% (0.88 10.00 4.19 21.60) = 90.112% kept T QD1 ILE 101 - HH2 TRP 51 50.000% * 9.8880% (0.26 10.00 0.73 0.92) = 9.888% kept 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 = 0.147, support = 3.36, residual support = 56.1: O HE3 TRP 51 - HH2 TRP 51 50.000% * 63.5953% (0.09 10.0 2.84 56.12) = 63.595% kept HE3 TRP 51 - HN TRP 51 50.000% * 36.4047% (0.25 1.0 4.26 56.12) = 36.405% 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 = 0.231, support = 0.275, residual support = 0.268: HE22 GLN 102 - HN VAL 47 50.000% * 70.2027% (0.31 0.18 0.26) = 70.203% kept HN GLU- 64 - HN VAL 47 50.000% * 29.7973% (0.05 0.49 0.28) = 29.797% kept Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 362 (7.37, 7.28, 122.66 ppm): 2 chemical-shift based assignments, quality = 0.0247, support = 0.295, residual support = 0.269: HE22 GLN 102 - HN VAL 47 50.000% * 63.7293% (0.03 0.18 0.26) = 63.729% kept HN GLU- 64 - HN VAL 47 50.000% * 36.2707% (0.01 0.49 0.28) = 36.271% 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 = 2.54, residual support = 56.0: O HZ3 TRP 51 - HE3 TRP 51 50.000% * 99.7968% (0.36 10.0 2.55 56.12) = 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): 15 chemical-shift based assignments, quality = 0.766, support = 1.38, residual support = 2.71: QG1 VAL 47 - HE3 TRP 51 6.667% * 48.1030% (0.82 1.59 3.01) = 48.103% kept QG2 VAL 47 - HE3 TRP 51 6.667% * 42.0709% (0.78 1.45 3.01) = 42.071% kept QG1 VAL 80 - HE3 TRP 51 6.667% * 3.6775% (0.97 0.10 0.02) = 3.677% kept HG LEU 74 - HE3 TRP 51 6.667% * 1.4863% (0.52 0.08 0.02) = 1.486% kept QG1 VAL 122 - HE3 TRP 51 6.667% * 0.6668% (0.90 0.02 0.02) = 0.667% QG2 VAL 105 - HE3 TRP 51 6.667% * 0.6266% (0.85 0.02 0.02) = 0.627% QD1 LEU 67 - HE3 TRP 51 6.667% * 0.5520% (0.75 0.02 0.02) = 0.552% QG2 VAL 125 - HE3 TRP 51 6.667% * 0.5520% (0.75 0.02 0.02) = 0.552% QG2 VAL 87 - HE3 TRP 51 6.667% * 0.5245% (0.71 0.02 0.02) = 0.525% QG1 VAL 40 - HE3 TRP 51 6.667% * 0.5245% (0.71 0.02 0.02) = 0.525% HG13 ILE 68 - HE3 TRP 51 6.667% * 0.4962% (0.67 0.02 0.02) = 0.496% QG2 VAL 122 - HE3 TRP 51 6.667% * 0.3238% (0.44 0.02 0.02) = 0.324% QG2 ILE 100 - HE3 TRP 51 6.667% * 0.1429% (0.19 0.02 0.57) = 0.143% QD1 LEU 90 - HE3 TRP 51 6.667% * 0.1265% (0.17 0.02 0.02) = 0.127% QG2 VAL 73 - HE3 TRP 51 6.667% * 0.1265% (0.17 0.02 0.02) = 0.127% Peak 411 (7.00, 5.54, 120.02 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 446 (3.07, 7.00, 119.86 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 447 (3.04, 7.09, 119.91 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 448 (2.97, 6.92, 119.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 452 (6.93, 12.85, 119.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 460 (6.92, 7.26, 119.76 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 474 (2.17, 6.73, 118.66 ppm): 10 chemical-shift based assignments, quality = 0.643, support = 0.953, residual support = 8.21: HB2 ASP- 82 - QE TYR 83 10.000% * 38.5854% (0.86 1.20 19.61) = 38.585% kept HB3 LYS+ 78 - QE TYR 83 10.000% * 17.1273% (0.33 1.40 3.22) = 17.127% kept HG2 PRO 104 - QE TYR 83 10.000% * 12.6643% (0.89 0.38 0.02) = 12.664% kept HB3 PRO 104 - QE TYR 83 10.000% * 10.9991% (0.70 0.42 0.02) = 10.999% kept HB3 GLU- 75 - QE TYR 83 10.000% * 10.2106% (0.41 0.67 0.02) = 10.211% kept HA1 GLY 58 - QE TYR 83 10.000% * 9.1898% (0.27 0.92 0.96) = 9.190% kept HG2 GLN 102 - QE TYR 83 10.000% * 0.6600% (0.89 0.02 0.02) = 0.660% HB VAL 99 - QE TYR 83 10.000% * 0.2939% (0.39 0.02 0.02) = 0.294% HG2 MET 126 - QE TYR 83 10.000% * 0.1592% (0.21 0.02 0.02) = 0.159% HG3 GLN 102 - QE TYR 83 10.000% * 0.1103% (0.15 0.02 0.02) = 0.110% Peak 475 (7.06, 6.73, 118.61 ppm): 2 chemical-shift based assignments, quality = 0.866, support = 2.05, residual support = 56.0: * O T QD TYR 83 - QE TYR 83 50.000% * 99.9620% (0.87 10.0 10.00 2.05 56.01) = 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): 3 chemical-shift based assignments, quality = 0.836, support = 1.14, residual support = 3.0: T HB2 LYS+ 78 - QE TYR 83 33.333% * 91.5155% (0.85 10.00 1.18 3.22) = 91.516% kept HA1 GLY 58 - QE TYR 83 33.333% * 5.3577% (0.63 1.00 0.92 0.96) = 5.358% kept HB3 ASP- 28 - QE TYR 83 33.333% * 3.1268% (0.92 1.00 0.37 0.02) = 3.127% kept Peak 480 (0.90, 6.73, 118.58 ppm): 13 chemical-shift based assignments, quality = 0.712, support = 1.42, residual support = 3.29: HG LEU 74 - QE TYR 83 7.692% * 22.9695% (0.52 2.76 11.45) = 22.969% kept HG13 ILE 68 - QE TYR 83 7.692% * 18.5301% (0.87 1.34 1.78) = 18.530% kept QG1 VAL 47 - QE TYR 83 7.692% * 14.2056% (0.93 0.96 0.19) = 14.206% kept QD1 LEU 67 - QE TYR 83 7.692% * 13.7767% (0.91 0.95 1.00) = 13.777% kept QG1 VAL 122 - QE TYR 83 7.692% * 13.1080% (0.64 1.27 0.89) = 13.108% kept QG2 VAL 122 - QE TYR 83 7.692% * 4.2215% (0.21 1.27 0.89) = 4.221% kept QG2 VAL 73 - QE TYR 83 7.692% * 3.7609% (0.35 0.67 0.02) = 3.761% kept QG2 VAL 47 - QE TYR 83 7.692% * 3.1852% (0.49 0.40 0.19) = 3.185% kept QG2 VAL 105 - QE TYR 83 7.692% * 3.0029% (0.94 0.20 0.02) = 3.003% kept QG2 VAL 87 - QE TYR 83 7.692% * 2.7091% (0.89 0.19 0.02) = 2.709% kept QG1 VAL 80 - QE TYR 83 7.692% * 0.2503% (0.78 0.02 2.29) = 0.250% QG2 VAL 125 - QE TYR 83 7.692% * 0.1459% (0.46 0.02 0.02) = 0.146% QG1 VAL 40 - QE TYR 83 7.692% * 0.1344% (0.42 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 = 0.948, support = 1.91, residual support = 56.1: * O HH2 TRP 51 - HZ2 TRP 51 25.000% * 84.0532% (0.96 10.0 1.63 56.12) = 84.053% kept HN TRP 51 - HZ2 TRP 51 25.000% * 15.9198% (0.87 1.0 3.42 56.12) = 15.920% kept HH2 TRP 51 - HN ILE 48 25.000% * 0.0142% (0.13 1.0 0.02 2.35) = 0.014% HN TRP 51 - HN ILE 48 25.000% * 0.0128% (0.12 1.0 0.02 2.35) = 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): 2 chemical-shift based assignments, quality = 0.518, support = 2.8, residual support = 44.6: * HA PHE 34 - QD PHE 34 50.000% * 99.7636% (0.52 2.81 44.73) = 99.764% kept HA ILE 68 - QD PHE 34 50.000% * 0.2364% (0.17 0.02 0.10) = 0.236% Peak 518 (7.04, 6.85, 129.44 ppm): 2 chemical-shift based assignments, quality = 0.97, support = 0.999, residual support = 22.3: * O QE PHE 21 - HZ PHE 21 50.000% * 99.8939% (0.97 10.0 1.00 22.28) = 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 = 2.05, residual support = 55.9: * O QE TYR 83 - QD TYR 83 50.000% * 99.8807% (0.81 10.0 2.05 56.01) = 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): 6 chemical-shift based assignments, quality = 0.258, support = 0.825, residual support = 0.666: HA1 GLY 58 - QD TYR 83 16.667% * 61.8202% (0.21 1.16 0.96) = 61.820% kept HE3 LYS+ 55 - QD TYR 83 16.667% * 30.3710% (0.33 0.36 0.24) = 30.371% kept HE3 LYS+ 113 - QD TYR 83 16.667% * 2.0334% (0.39 0.02 0.02) = 2.033% kept HE2 LYS+ 117 - QD TYR 83 16.667% * 2.0199% (0.39 0.02 0.02) = 2.020% kept HB3 ASN 76 - QD TYR 83 16.667% * 1.9278% (0.37 0.02 0.02) = 1.928% kept HB2 PHE 21 - QD TYR 83 16.667% * 1.8277% (0.35 0.02 0.02) = 1.828% kept Peak 523 (3.86, 7.32, 133.43 ppm): 9 chemical-shift based assignments, quality = 0.493, support = 0.533, residual support = 0.566: T HA ILE 48 - QD PHE 34 11.111% * 83.1910% (0.46 10.00 0.60 0.68) = 83.191% kept HA LYS+ 44 - QD PHE 34 11.111% * 4.8949% (0.61 1.00 0.27 0.02) = 4.895% kept HD2 PRO 86 - QD PHE 34 11.111% * 2.6351% (0.25 1.00 0.36 0.02) = 2.635% kept HB3 SER 88 - QD PHE 34 11.111% * 2.6304% (0.97 1.00 0.09 0.02) = 2.630% kept HD3 PRO 86 - QD PHE 34 11.111% * 2.3277% (0.86 1.00 0.09 0.02) = 2.328% kept HA VAL 87 - QD PHE 34 11.111% * 2.3016% (0.91 1.00 0.08 0.02) = 2.302% kept HB2 SER 85 - QD PHE 34 11.111% * 1.6129% (0.64 1.00 0.08 0.02) = 1.613% kept HA VAL 125 - QD PHE 34 11.111% * 0.2230% (0.37 1.00 0.02 0.02) = 0.223% HD2 PRO 116 - QD PHE 34 11.111% * 0.1834% (0.30 1.00 0.02 0.02) = 0.183% Peak 524 (8.75, 7.32, 133.43 ppm): 4 chemical-shift based assignments, quality = 0.635, support = 4.48, residual support = 43.2: * HN PHE 34 - QD PHE 34 25.000% * 96.6528% (0.64 4.63 44.73) = 96.653% kept HN ILE 101 - QD PHE 34 25.000% * 2.3396% (0.75 0.09 0.02) = 2.340% kept HN VAL 62 - QD PHE 34 25.000% * 0.5390% (0.82 0.02 0.02) = 0.539% HN GLU- 56 - QD PHE 34 25.000% * 0.4686% (0.72 0.02 0.02) = 0.469% Peak 525 (3.69, 7.15, 128.34 ppm): 4 chemical-shift based assignments, quality = 0.954, support = 1.9, residual support = 4.87: HD2 PRO 52 - HD1 TRP 51 25.000% * 63.0139% (0.97 2.57 6.78) = 63.014% kept HA ILE 48 - HD1 TRP 51 25.000% * 23.6377% (0.98 0.95 2.35) = 23.638% kept HA LYS+ 81 - HD1 TRP 51 25.000% * 10.2986% (0.88 0.46 0.41) = 10.299% kept HA SER 27 - HD1 TRP 51 25.000% * 3.0498% (0.75 0.16 0.02) = 3.050% kept Peak 526 (9.50, 7.33, 114.77 ppm): 4 chemical-shift based assignments, quality = 0.978, support = 1.79, residual support = 56.0: * O HE1 TRP 51 - HZ2 TRP 51 25.000% * 99.8682% (0.98 10.0 1.79 56.12) = 99.868% kept HN ALA 70 - HZ2 TRP 51 25.000% * 0.1020% (0.90 1.0 0.02 0.02) = 0.102% HE1 TRP 51 - HN ILE 48 25.000% * 0.0156% (0.14 1.0 0.02 2.35) = 0.016% HN ALA 70 - HN ILE 48 25.000% * 0.0143% (0.13 1.0 0.02 0.02) = 0.014% Peak 527 (1.96, 7.33, 114.77 ppm): 20 chemical-shift based assignments, quality = 0.49, support = 0.219, residual support = 1.3: HG3 PRO 31 - HZ2 TRP 51 5.000% * 39.8286% (0.53 0.27 0.02) = 39.829% kept HG3 PRO 104 - HN ILE 48 5.000% * 18.0456% (0.12 0.53 7.08) = 18.046% kept HB3 GLU- 109 - HZ2 TRP 51 5.000% * 5.2778% (0.94 0.02 0.02) = 5.278% kept HB VAL 73 - HZ2 TRP 51 5.000% * 5.1503% (0.92 0.02 0.02) = 5.150% kept HB VAL 122 - HZ2 TRP 51 5.000% * 5.1503% (0.92 0.02 0.02) = 5.150% kept HG3 PRO 104 - HZ2 TRP 51 5.000% * 4.8396% (0.87 0.02 0.02) = 4.840% kept HB VAL 73 - HN ILE 48 5.000% * 4.7527% (0.13 0.13 0.02) = 4.753% kept HG3 PRO 116 - HZ2 TRP 51 5.000% * 4.6602% (0.83 0.02 0.02) = 4.660% kept HB3 LYS+ 55 - HZ2 TRP 51 5.000% * 2.7157% (0.49 0.02 0.28) = 2.716% kept HB2 LYS+ 108 - HZ2 TRP 51 5.000% * 2.0940% (0.37 0.02 0.02) = 2.094% kept HB2 GLU- 75 - HZ2 TRP 51 5.000% * 1.7220% (0.31 0.02 0.02) = 1.722% kept HB2 GLU- 75 - HN ILE 48 5.000% * 1.5891% (0.04 0.13 0.02) = 1.589% kept HG2 PRO 112 - HZ2 TRP 51 5.000% * 0.8609% (0.15 0.02 0.02) = 0.861% HB3 GLU- 109 - HN ILE 48 5.000% * 0.7380% (0.13 0.02 0.02) = 0.738% HB VAL 122 - HN ILE 48 5.000% * 0.7202% (0.13 0.02 0.02) = 0.720% HG3 PRO 116 - HN ILE 48 5.000% * 0.6516% (0.12 0.02 0.02) = 0.652% HG3 PRO 31 - HN ILE 48 5.000% * 0.4104% (0.07 0.02 1.25) = 0.410% HB3 LYS+ 55 - HN ILE 48 5.000% * 0.3797% (0.07 0.02 0.02) = 0.380% HB2 LYS+ 108 - HN ILE 48 5.000% * 0.2928% (0.05 0.02 0.02) = 0.293% HG2 PRO 112 - HN ILE 48 5.000% * 0.1204% (0.02 0.02 0.02) = 0.120% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 528 (0.58, 7.33, 114.77 ppm): 4 chemical-shift based assignments, quality = 0.776, support = 2.69, residual support = 20.4: QD1 LEU 23 - HZ2 TRP 51 25.000% * 94.1480% (0.80 2.83 21.60) = 94.148% kept QD1 ILE 101 - HZ2 TRP 51 25.000% * 5.7114% (0.41 0.33 0.92) = 5.711% kept QD1 LEU 23 - HN ILE 48 25.000% * 0.0929% (0.11 0.02 0.13) = 0.093% QD1 ILE 101 - HN ILE 48 25.000% * 0.0477% (0.06 0.02 0.02) = 0.048% Peak 529 (4.39, 7.15, 128.34 ppm): 10 chemical-shift based assignments, quality = 0.882, support = 2.52, residual support = 53.6: * HA TRP 51 - HD1 TRP 51 10.000% * 95.4611% (0.92 2.64 56.12) = 95.461% kept HA2 GLY 26 - HD1 TRP 51 10.000% * 0.7495% (0.24 0.08 0.02) = 0.749% HA SER 88 - HD1 TRP 51 10.000% * 0.7389% (0.94 0.02 0.02) = 0.739% HA THR 95 - HD1 TRP 51 10.000% * 0.6642% (0.85 0.02 0.02) = 0.664% HA ASN 57 - HD1 TRP 51 10.000% * 0.5852% (0.75 0.02 0.02) = 0.585% HA ALA 37 - HD1 TRP 51 10.000% * 0.5560% (0.71 0.02 0.02) = 0.556% HA LYS+ 60 - HD1 TRP 51 10.000% * 0.4953% (0.63 0.02 0.02) = 0.495% HA THR 38 - HD1 TRP 51 10.000% * 0.4028% (0.51 0.02 0.02) = 0.403% HA THR 24 - HD1 TRP 51 10.000% * 0.2129% (0.27 0.02 0.02) = 0.213% HA LYS+ 117 - HD1 TRP 51 10.000% * 0.1341% (0.17 0.02 0.02) = 0.134% Peak 530 (3.04, 7.49, 120.17 ppm): 2 chemical-shift based assignments, quality = 0.589, support = 2.82, residual support = 54.9: O T HB2 TRP 51 - HE3 TRP 51 50.000% * 97.6723% (0.59 10.0 10.00 2.87 56.12) = 97.672% kept HA1 GLY 58 - HE3 TRP 51 50.000% * 2.3277% (0.41 1.0 1.00 0.69 3.68) = 2.328% kept Peak 531 (3.69, 7.49, 120.17 ppm): 4 chemical-shift based assignments, quality = 0.953, support = 2.38, residual support = 4.16: HD2 PRO 52 - HE3 TRP 51 25.000% * 47.9221% (0.97 3.00 6.78) = 47.922% kept HA ILE 48 - HE3 TRP 51 25.000% * 36.8346% (0.98 2.28 2.35) = 36.835% kept HA LYS+ 81 - HE3 TRP 51 25.000% * 11.0572% (0.88 0.76 0.41) = 11.057% kept HA SER 27 - HE3 TRP 51 25.000% * 4.1862% (0.75 0.34 0.02) = 4.186% kept Peak 532 (4.40, 7.49, 120.17 ppm): 10 chemical-shift based assignments, quality = 0.52, support = 2.74, residual support = 49.3: HA TRP 51 - HE3 TRP 51 10.000% * 87.7603% (0.51 3.10 56.12) = 87.760% kept HA THR 24 - HE3 TRP 51 10.000% * 8.3063% (0.71 0.21 0.02) = 8.306% kept HA THR 95 - HE3 TRP 51 10.000% * 1.0384% (0.94 0.02 0.02) = 1.038% kept HA SER 88 - HE3 TRP 51 10.000% * 0.9334% (0.85 0.02 0.02) = 0.933% HA LYS+ 66 - HE3 TRP 51 10.000% * 0.4824% (0.44 0.02 0.02) = 0.482% HA CYS 121 - HE3 TRP 51 10.000% * 0.4424% (0.40 0.02 0.02) = 0.442% HA ASN 57 - HE3 TRP 51 10.000% * 0.3321% (0.30 0.02 0.02) = 0.332% HA ALA 37 - HE3 TRP 51 10.000% * 0.2992% (0.27 0.02 0.02) = 0.299% HA LYS+ 60 - HE3 TRP 51 10.000% * 0.2396% (0.22 0.02 0.02) = 0.240% HA THR 38 - HE3 TRP 51 10.000% * 0.1660% (0.15 0.02 0.02) = 0.166% 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): 5 chemical-shift based assignments, quality = 0.747, support = 1.01, residual support = 0.656: HN VAL 122 - QE TYR 83 20.000% * 59.6479% (0.95 1.06 0.89) = 59.648% kept HN CYS 121 - QE TYR 83 20.000% * 29.5358% (0.43 1.15 0.41) = 29.536% kept HN SER 88 - QE TYR 83 20.000% * 9.8750% (0.55 0.31 0.02) = 9.875% kept HN LYS+ 110 - QE TYR 83 20.000% * 0.5124% (0.43 0.02 0.02) = 0.512% HN GLY 26 - QE TYR 83 20.000% * 0.4290% (0.36 0.02 0.02) = 0.429% 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): 9 chemical-shift based assignments, quality = 0.505, support = 0.787, residual support = 2.75: HA VAL 122 - QE TYR 83 11.111% * 24.5979% (0.52 0.86 0.89) = 24.598% kept HB3 SER 77 - QE TYR 83 11.111% * 22.5345% (0.81 0.51 0.11) = 22.535% kept HA LEU 74 - QE TYR 83 11.111% * 21.2272% (0.31 1.24 11.45) = 21.227% kept HB3 CYS 121 - QE TYR 83 11.111% * 17.5200% (0.41 0.78 0.41) = 17.520% kept HA ILE 48 - QE TYR 83 11.111% * 6.7370% (0.15 0.81 0.02) = 6.737% kept HA LYS+ 44 - QE TYR 83 11.111% * 5.3776% (0.88 0.11 0.02) = 5.378% kept HA1 GLY 114 - QE TYR 83 11.111% * 0.9963% (0.91 0.02 0.02) = 0.996% HA ALA 93 - QE TYR 83 11.111% * 0.7299% (0.67 0.02 0.02) = 0.730% HB THR 96 - QE TYR 83 11.111% * 0.2795% (0.25 0.02 0.02) = 0.279% Peak 547 (4.70, 6.73, 118.60 ppm): 6 chemical-shift based assignments, quality = 0.436, support = 0.919, residual support = 30.3: HA TYR 83 - QE TYR 83 16.667% * 54.0324% (0.28 1.48 56.01) = 54.032% kept HA ASN 119 - QE TYR 83 16.667% * 29.2538% (0.67 0.34 0.02) = 29.254% kept HA2 GLY 30 - QE TYR 83 16.667% * 7.5506% (0.41 0.14 0.02) = 7.551% kept HA ASN 89 - QE TYR 83 16.667% * 6.7265% (0.63 0.08 0.02) = 6.727% kept HA THR 61 - QE TYR 83 16.667% * 1.9699% (0.77 0.02 0.02) = 1.970% kept HA PRO 31 - QE TYR 83 16.667% * 0.4667% (0.18 0.02 0.02) = 0.467% Peak 548 (0.46, 6.73, 118.58 ppm): 3 chemical-shift based assignments, quality = 0.734, support = 1.9, residual support = 6.72: QD2 LEU 74 - QE TYR 83 33.333% * 53.0370% (0.72 2.56 11.45) = 53.037% kept QG2 ILE 68 - QE TYR 83 33.333% * 30.0128% (0.75 1.38 1.78) = 30.013% kept QD2 LEU 43 - QE TYR 83 33.333% * 16.9502% (0.75 0.78 0.63) = 16.950% kept Peak 549 (-0.05, 6.73, 118.58 ppm): 1 chemical-shift based assignment, quality = 0.682, support = 2.26, residual support = 11.5: T QD1 LEU 74 - QE TYR 83 100.000% *100.0000% (0.68 10.00 2.26 11.45) = 100.000% kept Peak 550 (2.32, 7.06, 133.69 ppm): 5 chemical-shift based assignments, quality = 0.654, support = 3.34, residual support = 53.4: O T HB2 TYR 83 - QD TYR 83 20.000% * 95.3435% (0.66 10.0 10.00 3.45 56.01) = 95.344% kept HA1 GLY 58 - QD TYR 83 20.000% * 4.3558% (0.52 1.0 1.00 1.16 0.96) = 4.356% kept HB3 PRO 86 - QD TYR 83 20.000% * 0.1376% (0.96 1.0 1.00 0.02 0.02) = 0.138% HG3 GLU- 64 - QD TYR 83 20.000% * 0.1061% (0.74 1.0 1.00 0.02 0.02) = 0.106% HB2 PRO 86 - QD TYR 83 20.000% * 0.0571% (0.40 1.0 1.00 0.02 0.02) = 0.057% Peak 551 (1.68, 7.06, 133.69 ppm): 4 chemical-shift based assignments, quality = 0.527, support = 1.99, residual support = 7.15: HG3 ARG+ 84 - QD TYR 83 25.000% * 64.1776% (0.33 2.88 11.04) = 64.178% kept HD3 LYS+ 55 - QD TYR 83 25.000% * 28.8130% (0.93 0.46 0.24) = 28.813% kept HB3 MET 126 - QD TYR 83 25.000% * 5.9106% (0.77 0.11 0.02) = 5.911% kept HB3 MET 97 - QD TYR 83 25.000% * 1.0987% (0.17 0.10 0.02) = 1.099% kept Peak 552 (0.90, 7.06, 133.69 ppm): 12 chemical-shift based assignments, quality = 0.804, support = 1.54, residual support = 3.19: HG13 ILE 68 - QD TYR 83 8.333% * 22.6903% (0.96 1.72 1.78) = 22.690% kept QD1 LEU 67 - QD TYR 83 8.333% * 22.2132% (0.96 1.67 1.00) = 22.213% kept HG LEU 74 - QD TYR 83 8.333% * 20.5676% (0.55 2.72 11.45) = 20.568% kept QG1 VAL 47 - QD TYR 83 8.333% * 8.5477% (0.96 0.65 0.19) = 8.548% kept QG1 VAL 80 - QD TYR 83 8.333% * 7.7936% (0.66 0.85 2.29) = 7.794% kept QG2 VAL 105 - QD TYR 83 8.333% * 5.0187% (0.95 0.38 0.02) = 5.019% kept QG2 VAL 87 - QD TYR 83 8.333% * 4.6185% (0.96 0.35 0.02) = 4.619% kept QG2 VAL 47 - QD TYR 83 8.333% * 4.2790% (0.36 0.86 0.19) = 4.279% kept QG2 VAL 73 - QD TYR 83 8.333% * 3.9586% (0.51 0.57 0.02) = 3.959% kept QG1 VAL 122 - QD TYR 83 8.333% * 0.1399% (0.51 0.02 0.89) = 0.140% QG2 VAL 125 - QD TYR 83 8.333% * 0.0907% (0.33 0.02 0.02) = 0.091% QG1 VAL 40 - QD TYR 83 8.333% * 0.0821% (0.30 0.02 0.02) = 0.082% Peak 553 (0.46, 7.06, 133.69 ppm): 3 chemical-shift based assignments, quality = 0.757, support = 2.02, residual support = 5.58: QD2 LEU 74 - QD TYR 83 33.333% * 41.8344% (0.74 2.43 11.45) = 41.834% kept QG2 ILE 68 - QD TYR 83 33.333% * 36.6946% (0.77 2.04 1.78) = 36.695% kept QD2 LEU 43 - QD TYR 83 33.333% * 21.4710% (0.77 1.19 0.63) = 21.471% kept Peak 554 (-0.05, 7.06, 133.69 ppm): 1 chemical-shift based assignment, quality = 0.7, support = 1.97, residual support = 11.5: T QD1 LEU 74 - QD TYR 83 100.000% *100.0000% (0.70 10.00 1.97 11.45) = 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 = 56.1: O HZ3 TRP 51 - HZ2 TRP 51 25.000% * 99.8934% (0.98 10.0 1.75 56.12) = 99.893% kept QE TYR 83 - HZ2 TRP 51 25.000% * 0.0799% (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 2.35) = 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): 11 chemical-shift based assignments, quality = 0.869, support = 1.02, residual support = 9.51: HG LEU 23 - HH2 TRP 51 9.091% * 42.4891% (0.95 1.41 21.60) = 42.489% kept HB ILE 100 - HH2 TRP 51 9.091% * 27.8392% (0.95 0.92 0.57) = 27.839% kept HG12 ILE 101 - HH2 TRP 51 9.091% * 18.4840% (0.95 0.61 0.92) = 18.484% kept HB3 ARG+ 22 - HH2 TRP 51 9.091% * 6.8924% (0.32 0.67 0.02) = 6.892% kept HD3 LYS+ 32 - HH2 TRP 51 9.091% * 2.2668% (0.21 0.34 0.26) = 2.267% kept HB2 LEU 67 - HH2 TRP 51 9.091% * 0.6033% (0.95 0.02 0.02) = 0.603% HG3 LYS+ 78 - HH2 TRP 51 9.091% * 0.5050% (0.79 0.02 0.02) = 0.505% HG2 LYS+ 110 - HH2 TRP 51 9.091% * 0.2943% (0.46 0.02 0.02) = 0.294% HG3 LYS+ 110 - HH2 TRP 51 9.091% * 0.2711% (0.43 0.02 0.02) = 0.271% HB3 LEU 17 - HH2 TRP 51 9.091% * 0.1866% (0.29 0.02 0.02) = 0.187% HB3 MET 97 - HH2 TRP 51 9.091% * 0.1681% (0.26 0.02 0.02) = 0.168% Peak 558 (1.00, 7.19, 125.29 ppm): 3 chemical-shift based assignments, quality = 0.648, support = 0.4, residual support = 0.213: HG LEU 74 - HH2 TRP 51 33.333% * 36.1546% (0.79 0.33 0.02) = 36.155% kept HG13 ILE 100 - HH2 TRP 51 33.333% * 34.8567% (0.46 0.55 0.57) = 34.857% kept QG1 VAL 99 - HH2 TRP 51 33.333% * 28.9887% (0.69 0.31 0.02) = 28.989% kept Not enough total support, support cutoff is 0.50 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 = 0.738, support = 3.6, residual support = 25.4: QG2 ILE 19 - QE PHE 34 100.000% *100.0000% (0.74 3.60 25.39) = 100.000% kept Peak 562 (-0.11, 7.34, 131.43 ppm): 1 chemical-shift based assignment, quality = 0.8, support = 1.9, residual support = 7.25: T QD1 LEU 43 - QE PHE 34 100.000% *100.0000% (0.80 10.00 1.90 7.25) = 100.000% kept Peak 563 (0.01, 7.32, 133.42 ppm): 1 chemical-shift based assignment, quality = 0.8, support = 3.27, residual support = 25.4: QG2 ILE 19 - QD PHE 34 100.000% *100.0000% (0.80 3.27 25.39) = 100.000% kept Peak 564 (-0.12, 7.32, 133.42 ppm): 1 chemical-shift based assignment, quality = 0.411, support = 2.53, residual support = 7.25: T QD1 LEU 43 - QD PHE 34 100.000% *100.0000% (0.41 10.00 2.53 7.25) = 100.000% kept Peak 565 (3.16, 7.34, 131.42 ppm): 6 chemical-shift based assignments, quality = 0.863, support = 2.19, residual support = 41.4: T HB3 PHE 34 - QE PHE 34 16.667% * 92.5713% (0.90 10.00 2.33 44.73) = 92.571% kept T HA1 GLY 58 - QE PHE 34 16.667% * 4.4420% (0.21 10.00 0.42 0.10) = 4.442% kept HD3 PRO 35 - QE PHE 34 16.667% * 1.8203% (0.76 1.00 0.46 0.48) = 1.820% kept HD3 ARG+ 84 - QE PHE 34 16.667% * 1.0664% (0.65 1.00 0.32 0.02) = 1.066% kept HD2 ARG+ 53 - QE PHE 34 16.667% * 0.0633% (0.62 1.00 0.02 0.02) = 0.063% HB3 HIS+ 98 - QE PHE 34 16.667% * 0.0367% (0.36 1.00 0.02 0.02) = 0.037% Peak 566 (2.61, 7.34, 131.42 ppm): 6 chemical-shift based assignments, quality = 0.657, support = 1.98, residual support = 28.4: T HB2 PHE 34 - QE PHE 34 16.667% * 63.0068% (0.50 10.00 2.62 44.73) = 63.007% kept T HA1 GLY 58 - QE PHE 34 16.667% * 24.7620% (0.95 10.00 0.42 0.10) = 24.762% kept HE2 LYS+ 20 - QE PHE 34 16.667% * 11.5545% (0.93 1.00 1.97 1.77) = 11.554% kept HB3 ASP- 36 - QE PHE 34 16.667% * 0.5247% (0.52 1.00 0.16 0.02) = 0.525% HB2 ASP- 25 - QE PHE 34 16.667% * 0.1187% (0.94 1.00 0.02 0.02) = 0.119% HB3 ASP- 82 - QE PHE 34 16.667% * 0.0333% (0.26 1.00 0.02 0.02) = 0.033% Peak 567 (2.80, 7.34, 131.42 ppm): 8 chemical-shift based assignments, quality = 0.914, support = 2.08, residual support = 13.4: T HE3 LYS+ 32 - QE PHE 34 12.500% * 74.9735% (0.94 10.00 2.66 17.88) = 74.974% kept T HA1 GLY 58 - QE PHE 34 12.500% * 13.6815% (0.83 10.00 0.42 0.10) = 13.682% kept T HE3 LYS+ 111 - QE PHE 34 12.500% * 8.8982% (0.85 10.00 0.26 0.02) = 8.898% kept HA2 GLY 58 - QE PHE 34 12.500% * 1.9133% (0.95 1.00 0.51 0.10) = 1.913% kept HB3 ASN 57 - QE PHE 34 12.500% * 0.4130% (0.43 1.00 0.24 0.02) = 0.413% HB3 ASN 89 - QE PHE 34 12.500% * 0.0632% (0.79 1.00 0.02 0.02) = 0.063% HB2 ASN 119 - QE PHE 34 12.500% * 0.0339% (0.43 1.00 0.02 0.02) = 0.034% HB3 ASN 119 - QE PHE 34 12.500% * 0.0233% (0.29 1.00 0.02 0.02) = 0.023% Peak 569 (1.32, 7.35, 131.45 ppm): 5 chemical-shift based assignments, quality = 0.542, support = 0.773, residual support = 0.671: HG LEU 74 - QE PHE 34 20.000% * 54.9065% (0.53 1.10 1.09) = 54.907% kept QB ALA 103 - QE PHE 34 20.000% * 27.9381% (0.72 0.41 0.25) = 27.938% kept HB2 LEU 17 - QE PHE 34 20.000% * 9.2432% (0.30 0.32 0.02) = 9.243% kept QG2 THR 46 - QE PHE 34 20.000% * 7.6458% (0.28 0.29 0.02) = 7.646% kept HB2 LYS+ 55 - QE PHE 34 20.000% * 0.2664% (0.14 0.02 0.02) = 0.266% Peak 570 (1.32, 7.04, 130.39 ppm): 5 chemical-shift based assignments, quality = 0.568, support = 0.831, residual support = 1.81: HG LEU 74 - QE PHE 21 20.000% * 71.1368% (0.64 0.95 2.42) = 71.137% kept HB2 LEU 17 - QE PHE 21 20.000% * 25.6350% (0.37 0.60 0.33) = 25.635% kept QB ALA 103 - QE PHE 21 20.000% * 2.0489% (0.88 0.02 0.02) = 2.049% kept QG2 THR 46 - QE PHE 21 20.000% * 0.7793% (0.33 0.02 0.02) = 0.779% HB2 LYS+ 55 - QE PHE 21 20.000% * 0.4001% (0.17 0.02 0.02) = 0.400% Peak 571 (1.63, 7.04, 130.39 ppm): 10 chemical-shift based assignments, quality = 0.624, support = 1.17, residual support = 4.05: HB3 ARG+ 22 - QE PHE 21 10.000% * 64.7580% (0.59 1.63 6.24) = 64.758% kept HB2 LEU 67 - QE PHE 21 10.000% * 21.7621% (0.85 0.38 0.02) = 21.762% kept HG3 ARG+ 84 - QE PHE 21 10.000% * 7.9570% (0.30 0.39 0.02) = 7.957% kept HG LEU 23 - QE PHE 21 10.000% * 1.2075% (0.90 0.02 0.35) = 1.207% kept HB ILE 100 - QE PHE 21 10.000% * 1.1347% (0.85 0.02 0.02) = 1.135% kept HG12 ILE 101 - QE PHE 21 10.000% * 1.1347% (0.85 0.02 0.02) = 1.135% kept HG3 LYS+ 78 - QE PHE 21 10.000% * 0.7406% (0.55 0.02 0.02) = 0.741% HB3 MET 97 - QE PHE 21 10.000% * 0.6882% (0.52 0.02 0.42) = 0.688% HG2 LYS+ 110 - QE PHE 21 10.000% * 0.3262% (0.24 0.02 0.02) = 0.326% HG3 LYS+ 110 - QE PHE 21 10.000% * 0.2912% (0.22 0.02 0.02) = 0.291% Peak 572 (0.10, 7.04, 130.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 575 (0.01, 7.04, 130.39 ppm): 1 chemical-shift based assignment, quality = 0.879, support = 0.237, residual support = 0.237: QG2 ILE 19 - QE PHE 21 100.000% *100.0000% (0.88 0.24 0.24) = 100.000% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peaks: selected : 241 with diagonal assignment : 14 without assignment possibility : 149 with one assignment possibility : 10 with multiple assignment possibilities : 68 with given assignment possibilities : 0 with unique volume contribution : 22 with multiple volume contributions : 56 eliminated by violation filter : 0 Peaks: selected : 241 without assignment : 155 with assignment : 86 with unique assignment : 34 with multiple assignment : 52 with reference assignment : 27 with identical reference assignment : 22 with compatible reference assignment : 5 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 59 Atoms with eliminated volume contribution > 2.5: Peak 1 (4.09, 9.49, 134.56 ppm): 7 chemical-shift based assignments, quality = 0.833, support = 1.99, residual support = 11.5: * O HA ALA 70 - HN ALA 70 14.286% * 99.6767% (0.84 10.0 2.00 11.51) = 99.677% kept HA LYS+ 63 - HN ALA 70 14.286% * 0.0912% (0.76 1.0 0.02 0.02) = 0.091% HA LYS+ 44 - HN ALA 70 14.286% * 0.0876% (0.73 1.0 0.02 0.80) = 0.088% HA VAL 105 - HN ALA 70 14.286% * 0.0581% (0.49 1.0 0.02 0.02) = 0.058% HB2 SER 49 - HN ALA 70 14.286% * 0.0368% (0.31 1.0 0.02 0.02) = 0.037% HA THR 46 - HN ALA 70 14.286% * 0.0298% (0.25 1.0 0.02 0.02) = 0.030% HB3 SER 77 - HN ALA 70 14.286% * 0.0198% (0.17 1.0 0.02 0.02) = 0.020% 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): 3 chemical-shift based assignments, quality = 0.158, support = 0.324, residual support = 0.0973: HA GLN 102 - HN ALA 70 33.333% * 87.5214% (0.15 0.37 0.11) = 87.521% kept HA HIS+ 98 - HN ALA 70 33.333% * 7.7086% (0.24 0.02 0.02) = 7.709% kept HA ALA 33 - HN ALA 70 33.333% * 4.7700% (0.15 0.02 0.02) = 4.770% kept Not enough quality. 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 = 0.932, support = 0.086, residual support = 0.02: HA ASN 119 - HN ILE 100 16.667% * 65.0140% (1.00 0.12 0.02) = 65.014% kept HA ASN 89 - HN ILE 100 16.667% * 10.6766% (0.99 0.02 0.02) = 10.677% kept HA THR 61 - HN ILE 100 16.667% * 10.4885% (0.98 0.02 0.02) = 10.489% kept HA TYR 83 - HN ILE 100 16.667% * 8.1775% (0.76 0.02 0.02) = 8.178% kept HA ASP- 36 - HN ILE 100 16.667% * 2.9751% (0.28 0.02 0.02) = 2.975% kept HA LYS+ 120 - HN ILE 100 16.667% * 2.6682% (0.25 0.02 0.02) = 2.668% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 8 (0.90, 9.25, 131.84 ppm): 12 chemical-shift based assignments, quality = 0.775, support = 1.53, residual support = 5.15: HG LEU 74 - HN ILE 100 8.333% * 40.4490% (0.56 2.48 11.04) = 40.449% kept HG13 ILE 68 - HN ILE 100 8.333% * 30.8073% (0.99 1.08 1.51) = 30.807% kept QD1 LEU 67 - HN ILE 100 8.333% * 22.9115% (1.00 0.80 0.94) = 22.912% kept QG2 VAL 73 - HN ILE 100 8.333% * 2.8458% (0.52 0.19 0.02) = 2.846% kept QG2 VAL 87 - HN ILE 100 8.333% * 0.5722% (0.99 0.02 0.02) = 0.572% QG1 VAL 47 - HN ILE 100 8.333% * 0.5684% (0.99 0.02 0.02) = 0.568% QG2 VAL 105 - HN ILE 100 8.333% * 0.5621% (0.98 0.02 0.02) = 0.562% QG1 VAL 80 - HN ILE 100 8.333% * 0.3939% (0.68 0.02 0.02) = 0.394% QG1 VAL 122 - HN ILE 100 8.333% * 0.3017% (0.52 0.02 0.02) = 0.302% QG2 VAL 47 - HN ILE 100 8.333% * 0.2152% (0.37 0.02 0.02) = 0.215% QG2 VAL 125 - HN ILE 100 8.333% * 0.1956% (0.34 0.02 0.02) = 0.196% QG1 VAL 40 - HN ILE 100 8.333% * 0.1770% (0.31 0.02 0.02) = 0.177% Reference assignment not found: QG2 VAL 99 - HN ILE 100 Peak 9 (1.64, 9.25, 131.84 ppm): 9 chemical-shift based assignments, quality = 0.683, support = 3.49, residual support = 13.8: * O HB ILE 100 - HN ILE 100 11.111% * 74.9659% (0.68 10.0 4.02 17.03) = 74.966% kept HG12 ILE 101 - HN ILE 100 11.111% * 10.4478% (0.68 1.0 2.79 9.19) = 10.448% kept HB2 LEU 67 - HN ILE 100 11.111% * 6.7116% (0.68 1.0 1.79 0.94) = 6.712% kept HB3 MET 97 - HN ILE 100 11.111% * 3.7050% (0.72 1.0 0.94 0.02) = 3.705% kept HB3 ARG+ 22 - HN ILE 100 11.111% * 2.1090% (0.80 1.0 0.48 0.02) = 2.109% kept HG3 ARG+ 84 - HN ILE 100 11.111% * 1.9216% (0.48 1.0 0.72 0.02) = 1.922% kept HG LEU 23 - HN ILE 100 11.111% * 0.0834% (0.76 1.0 0.02 0.39) = 0.083% HG3 LYS+ 78 - HN ILE 100 11.111% * 0.0410% (0.37 1.0 0.02 0.02) = 0.041% HG2 LYS+ 110 - HN ILE 100 11.111% * 0.0148% (0.13 1.0 0.02 0.02) = 0.015% Peak 10 (1.02, 9.25, 131.84 ppm): 4 chemical-shift based assignments, quality = 0.938, support = 3.11, residual support = 11.7: HG13 ILE 100 - HN ILE 100 25.000% * 42.7428% (1.00 3.64 17.03) = 42.743% kept * QG1 VAL 99 - HN ILE 100 25.000% * 31.5222% (0.92 2.91 4.96) = 31.522% kept HG LEU 74 - HN ILE 100 25.000% * 25.6019% (0.87 2.48 11.04) = 25.602% kept HG3 LYS+ 20 - HN ILE 100 25.000% * 0.1331% (0.56 0.02 0.02) = 0.133% Peak 11 (9.07, 9.25, 131.84 ppm): 2 chemical-shift based assignments, quality = 0.917, support = 1.66, residual support = 3.56: T HN LYS+ 66 - HN ILE 100 50.000% * 99.8724% (0.92 10.00 1.66 3.56) = 99.872% kept HN GLU- 54 - HN ILE 100 50.000% * 0.1276% (0.98 1.00 0.02 0.02) = 0.128% Peak 12 (4.46, 9.25, 131.84 ppm): 9 chemical-shift based assignments, quality = 0.909, support = 3.46, residual support = 11.5: O HA ILE 100 - HN ILE 100 11.111% * 52.7292% (1.00 10.0 4.26 17.03) = 52.729% kept * O HA VAL 99 - HN ILE 100 11.111% * 42.2222% (0.80 10.0 2.66 4.96) = 42.222% kept HA ILE 101 - HN ILE 100 11.111% * 4.8698% (0.99 1.0 1.85 9.19) = 4.870% kept HA PRO 86 - HN ILE 100 11.111% * 0.0523% (0.99 1.0 0.02 0.02) = 0.052% HA LYS+ 32 - HN ILE 100 11.111% * 0.0509% (0.96 1.0 0.02 0.02) = 0.051% HA GLU- 50 - HN ILE 100 11.111% * 0.0487% (0.92 1.0 0.02 0.02) = 0.049% HA ASN 76 - HN ILE 100 11.111% * 0.0117% (0.22 1.0 0.02 0.02) = 0.012% HB THR 24 - HN ILE 100 11.111% * 0.0081% (0.15 1.0 0.02 0.02) = 0.008% HA LYS+ 111 - HN ILE 100 11.111% * 0.0071% (0.13 1.0 0.02 0.02) = 0.007% Peak 13 (0.77, 9.25, 131.84 ppm): 5 chemical-shift based assignments, quality = 0.712, support = 3.3, residual support = 15.5: * HG12 ILE 100 - HN ILE 100 20.000% * 64.3167% (1.00 3.26 17.03) = 64.317% kept QD1 ILE 100 - HN ILE 100 20.000% * 17.8901% (0.20 4.58 17.03) = 17.890% kept HG LEU 74 - HN ILE 100 20.000% * 11.3703% (0.23 2.48 11.04) = 11.370% kept HG3 LYS+ 66 - HN ILE 100 20.000% * 6.0803% (0.17 1.76 3.56) = 6.080% kept HG3 LYS+ 44 - HN ILE 100 20.000% * 0.3426% (0.86 0.02 0.02) = 0.343% 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 = 2.56, residual support = 4.42: * O HA ARG+ 22 - HN LEU 23 100.000% *100.0000% (0.65 10.0 2.56 4.42) = 100.000% kept Peak 16 (1.63, 9.29, 130.07 ppm): 11 chemical-shift based assignments, quality = 0.813, support = 2.87, residual support = 20.0: * HG LEU 23 - HN LEU 23 9.091% * 48.0477% (0.96 3.98 39.41) = 48.048% kept HB3 ARG+ 22 - HN LEU 23 9.091% * 20.0952% (0.53 3.05 4.42) = 20.095% kept HG12 ILE 101 - HN LEU 23 9.091% * 12.9276% (0.92 1.12 0.56) = 12.928% kept HB ILE 100 - HN LEU 23 9.091% * 10.4431% (0.92 0.90 0.39) = 10.443% kept HG3 ARG+ 84 - HN LEU 23 9.091% * 5.7878% (0.25 1.85 1.01) = 5.788% kept HG3 LYS+ 78 - HN LEU 23 9.091% * 2.1642% (0.65 0.27 0.02) = 2.164% kept HB2 LEU 67 - HN LEU 23 9.091% * 0.2312% (0.92 0.02 0.02) = 0.231% HB3 MET 97 - HN LEU 23 9.091% * 0.1123% (0.45 0.02 0.10) = 0.112% HG2 LYS+ 110 - HN LEU 23 9.091% * 0.0773% (0.31 0.02 0.02) = 0.077% HG3 LYS+ 110 - HN LEU 23 9.091% * 0.0696% (0.28 0.02 0.02) = 0.070% HB3 LEU 17 - HN LEU 23 9.091% * 0.0439% (0.17 0.02 0.02) = 0.044% Peak 17 (1.92, 9.29, 130.07 ppm): 15 chemical-shift based assignments, quality = 0.987, support = 3.95, residual support = 37.7: * O HB2 LEU 23 - HN LEU 23 6.667% * 94.1891% (1.00 10.0 4.13 39.41) = 94.189% kept HB ILE 29 - HN LEU 23 6.667% * 5.1323% (0.90 1.0 1.22 11.48) = 5.132% kept HB3 GLU- 56 - HN LEU 23 6.667% * 0.0940% (1.00 1.0 0.02 0.02) = 0.094% HB3 PRO 35 - HN LEU 23 6.667% * 0.0923% (0.98 1.0 0.02 0.02) = 0.092% HD3 LYS+ 63 - HN LEU 23 6.667% * 0.0845% (0.90 1.0 0.02 0.02) = 0.084% HB3 GLN 102 - HN LEU 23 6.667% * 0.0684% (0.73 1.0 0.02 0.73) = 0.068% HB3 GLU- 54 - HN LEU 23 6.667% * 0.0647% (0.69 1.0 0.02 0.02) = 0.065% HB2 PRO 116 - HN LEU 23 6.667% * 0.0609% (0.65 1.0 0.02 2.57) = 0.061% HG2 PRO 112 - HN LEU 23 6.667% * 0.0533% (0.57 1.0 0.02 0.02) = 0.053% HB3 MET 118 - HN LEU 23 6.667% * 0.0496% (0.53 1.0 0.02 0.02) = 0.050% HB2 GLU- 75 - HN LEU 23 6.667% * 0.0321% (0.34 1.0 0.02 0.02) = 0.032% HB3 CYS 123 - HN LEU 23 6.667% * 0.0291% (0.31 1.0 0.02 0.02) = 0.029% HB3 LYS+ 55 - HN LEU 23 6.667% * 0.0186% (0.20 1.0 0.02 0.02) = 0.019% HG3 PRO 31 - HN LEU 23 6.667% * 0.0165% (0.17 1.0 0.02 0.02) = 0.016% HG2 GLU- 18 - HN LEU 23 6.667% * 0.0145% (0.15 1.0 0.02 0.02) = 0.015% Peak 18 (0.27, 9.29, 130.07 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 3.99, residual support = 39.4: * QD2 LEU 23 - HN LEU 23 100.000% *100.0000% (0.37 3.99 39.41) = 100.000% kept Peak 19 (3.28, 9.29, 130.07 ppm): 3 chemical-shift based assignments, quality = 0.997, support = 3.29, residual support = 39.3: * O HA LEU 23 - HN LEU 23 33.333% * 99.8033% (1.00 10.0 3.29 39.41) = 99.803% kept HE3 LYS+ 63 - HN LEU 23 33.333% * 0.0989% (0.99 1.0 0.02 0.02) = 0.099% HD3 ARG+ 53 - HN LEU 23 33.333% * 0.0978% (0.98 1.0 0.02 0.02) = 0.098% Peak 20 (1.38, 9.29, 130.07 ppm): 8 chemical-shift based assignments, quality = 0.475, support = 1.89, residual support = 3.15: * HG3 ARG+ 22 - HN LEU 23 12.500% * 71.1097% (0.45 2.58 4.42) = 71.110% kept HD3 LYS+ 20 - HN LEU 23 12.500% * 7.6846% (0.45 0.28 0.02) = 7.685% kept HG13 ILE 19 - HN LEU 23 12.500% * 6.4141% (0.41 0.25 0.02) = 6.414% kept HB3 LYS+ 20 - HN LEU 23 12.500% * 6.3665% (0.73 0.14 0.02) = 6.366% kept HG LEU 74 - HN LEU 23 12.500% * 5.2052% (0.50 0.17 0.14) = 5.205% kept HG2 LYS+ 78 - HN LEU 23 12.500% * 1.2189% (0.99 0.02 0.02) = 1.219% kept QG2 THR 39 - HN LEU 23 12.500% * 1.2054% (0.98 0.02 0.02) = 1.205% kept QB ALA 91 - HN LEU 23 12.500% * 0.7956% (0.65 0.02 0.02) = 0.796% Peak 21 (1.74, 9.29, 130.07 ppm): 6 chemical-shift based assignments, quality = 0.668, support = 0.596, residual support = 0.819: HB3 GLU- 50 - HN LEU 23 16.667% * 48.0561% (0.80 0.77 1.34) = 48.056% kept HB VAL 94 - HN LEU 23 16.667% * 21.4480% (0.69 0.40 0.02) = 21.448% kept HB2 ARG+ 84 - HN LEU 23 16.667% * 15.0767% (0.57 0.34 1.01) = 15.077% kept HB ILE 48 - HN LEU 23 16.667% * 14.9998% (0.34 0.57 0.13) = 15.000% kept HB3 GLU- 18 - HN LEU 23 16.667% * 0.2097% (0.14 0.02 0.02) = 0.210% HB3 ARG+ 53 - HN LEU 23 16.667% * 0.2097% (0.14 0.02 0.02) = 0.210% 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 = 0.775, support = 0.425, residual support = 0.308: HA GLU- 64 - HN LYS+ 66 16.667% * 54.4200% (0.69 0.55 0.48) = 54.420% kept HA MET 126 - HN LYS+ 66 16.667% * 40.2399% (0.92 0.30 0.11) = 40.240% kept HA VAL 73 - HN LYS+ 66 16.667% * 2.7051% (0.94 0.02 0.02) = 2.705% kept HA ASP- 82 - HN LYS+ 66 16.667% * 1.1756% (0.41 0.02 0.02) = 1.176% kept HA LYS+ 44 - HN LYS+ 66 16.667% * 0.8935% (0.31 0.02 0.02) = 0.894% HA GLU- 109 - HN LYS+ 66 16.667% * 0.5659% (0.20 0.02 0.02) = 0.566% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 24 (0.72, 9.08, 129.85 ppm): 8 chemical-shift based assignments, quality = 0.586, support = 1.57, residual support = 3.37: QG2 ILE 101 - HN LYS+ 66 12.500% * 32.3626% (0.69 1.86 4.12) = 32.363% kept * HG3 LYS+ 66 - HN LYS+ 66 12.500% * 27.9569% (0.53 2.10 5.32) = 27.957% kept QD1 ILE 68 - HN LYS+ 66 12.500% * 11.9611% (0.87 0.55 0.02) = 11.961% kept HG LEU 67 - HN LYS+ 66 12.500% * 11.2371% (0.34 1.30 3.99) = 11.237% kept QG2 ILE 48 - HN LYS+ 66 12.500% * 7.3731% (0.80 0.36 0.02) = 7.373% kept HG LEU 74 - HN LYS+ 66 12.500% * 7.3712% (0.16 1.86 1.23) = 7.371% kept HG2 PRO 59 - HN LYS+ 66 12.500% * 1.2369% (0.37 0.13 0.02) = 1.237% kept QG2 VAL 40 - HN LYS+ 66 12.500% * 0.5011% (0.99 0.02 0.02) = 0.501% Peak 25 (1.65, 9.08, 129.85 ppm): 9 chemical-shift based assignments, quality = 0.551, support = 1.25, residual support = 2.35: HG12 ILE 101 - HN LYS+ 66 11.111% * 23.9647% (0.41 1.94 4.12) = 23.965% kept HG3 ARG+ 84 - HN LYS+ 66 11.111% * 20.1054% (0.76 0.88 0.02) = 20.105% kept * HB2 LEU 67 - HN LYS+ 66 11.111% * 18.6780% (0.41 1.52 3.99) = 18.678% kept HB ILE 100 - HN LYS+ 66 11.111% * 16.5431% (0.41 1.34 3.56) = 16.543% kept HB3 MET 97 - HN LYS+ 66 11.111% * 14.7807% (0.94 0.52 0.12) = 14.781% kept HB3 MET 126 - HN LYS+ 66 11.111% * 4.9436% (0.31 0.53 0.11) = 4.944% kept HB3 ARG+ 22 - HN LYS+ 66 11.111% * 0.5876% (0.98 0.02 0.02) = 0.588% HG LEU 23 - HN LYS+ 66 11.111% * 0.2918% (0.49 0.02 0.02) = 0.292% HG3 LYS+ 78 - HN LYS+ 66 11.111% * 0.1050% (0.17 0.02 0.02) = 0.105% Peak 26 (1.84, 9.08, 129.85 ppm): 9 chemical-shift based assignments, quality = 0.991, support = 1.36, residual support = 5.28: * O HB2 LYS+ 66 - HN LYS+ 66 11.111% * 99.2638% (1.00 10.0 1.37 5.32) = 99.264% kept HG3 PRO 112 - HN LYS+ 66 11.111% * 0.1398% (0.96 1.0 0.02 0.02) = 0.140% HB3 PRO 59 - HN LYS+ 66 11.111% * 0.1398% (0.96 1.0 0.02 0.02) = 0.140% HB2 PRO 59 - HN LYS+ 66 11.111% * 0.1210% (0.83 1.0 0.02 0.02) = 0.121% HB3 LYS+ 72 - HN LYS+ 66 11.111% * 0.1160% (0.80 1.0 0.02 0.02) = 0.116% HB2 PRO 104 - HN LYS+ 66 11.111% * 0.1107% (0.76 1.0 0.02 0.02) = 0.111% HD3 LYS+ 117 - HN LYS+ 66 11.111% * 0.0544% (0.37 1.0 0.02 0.02) = 0.054% HD3 LYS+ 72 - HN LYS+ 66 11.111% * 0.0322% (0.22 1.0 0.02 0.02) = 0.032% HB2 GLU- 109 - HN LYS+ 66 11.111% * 0.0223% (0.15 1.0 0.02 0.02) = 0.022% Peak 27 (4.42, 9.08, 129.85 ppm): 7 chemical-shift based assignments, quality = 0.941, support = 1.98, residual support = 5.3: * O HA LYS+ 66 - HN LYS+ 66 14.286% * 99.6033% (0.94 10.0 1.99 5.32) = 99.603% kept HA CYS 121 - HN LYS+ 66 14.286% * 0.1022% (0.96 1.0 0.02 0.02) = 0.102% HA LYS+ 111 - HN LYS+ 66 14.286% * 0.0919% (0.87 1.0 0.02 0.02) = 0.092% HB THR 24 - HN LYS+ 66 14.286% * 0.0885% (0.83 1.0 0.02 0.02) = 0.088% HA THR 24 - HN LYS+ 66 14.286% * 0.0769% (0.73 1.0 0.02 0.02) = 0.077% HA VAL 99 - HN LYS+ 66 14.286% * 0.0186% (0.17 1.0 0.02 0.02) = 0.019% HA THR 95 - HN LYS+ 66 14.286% * 0.0186% (0.17 1.0 0.02 0.27) = 0.019% Peak 28 (0.54, 9.08, 129.85 ppm): 2 chemical-shift based assignments, quality = 0.771, support = 1.39, residual support = 4.12: HG13 ILE 101 - HN LYS+ 66 50.000% * 62.5457% (0.96 1.25 4.12) = 62.546% kept QD1 ILE 101 - HN LYS+ 66 50.000% * 37.4543% (0.45 1.61 4.12) = 37.454% kept Peak 29 (9.24, 9.08, 129.85 ppm): 1 chemical-shift based assignment, quality = 0.922, support = 1.66, residual support = 3.56: T HN ILE 100 - HN LYS+ 66 100.000% *100.0000% (0.92 10.00 1.66 3.56) = 100.000% kept Peak 30 (4.17, 8.45, 129.16 ppm): 5 chemical-shift based assignments, quality = 0.858, support = 3.57, residual support = 11.7: * O HA VAL 73 - HN LEU 74 20.000% * 98.2720% (0.87 10.0 3.61 11.82) = 98.272% kept HA LYS+ 44 - HN LEU 74 20.000% * 1.6238% (0.36 1.0 0.79 4.29) = 1.624% kept HA MET 126 - HN LEU 74 20.000% * 0.0508% (0.45 1.0 0.02 1.13) = 0.051% HB2 SER 88 - HN LEU 74 20.000% * 0.0282% (0.25 1.0 0.02 0.02) = 0.028% HA GLU- 64 - HN LEU 74 20.000% * 0.0252% (0.22 1.0 0.02 0.11) = 0.025% Peak 31 (0.91, 8.45, 129.16 ppm): 12 chemical-shift based assignments, quality = 0.749, support = 3.85, residual support = 33.0: * HG LEU 74 - HN LEU 74 8.333% * 40.2326% (0.59 5.85 64.26) = 40.233% kept QG2 VAL 73 - HN LEU 74 8.333% * 33.2611% (0.84 3.42 11.82) = 33.261% kept HG13 ILE 68 - HN LEU 74 8.333% * 18.6369% (0.92 1.73 9.35) = 18.637% kept QD1 LEU 67 - HN LEU 74 8.333% * 6.1628% (0.87 0.61 24.34) = 6.163% kept QG1 VAL 47 - HN LEU 74 8.333% * 1.0015% (0.80 0.11 0.85) = 1.002% kept QG2 VAL 87 - HN LEU 74 8.333% * 0.2089% (0.90 0.02 0.02) = 0.209% QG2 VAL 105 - HN LEU 74 8.333% * 0.1781% (0.76 0.02 0.63) = 0.178% QG1 VAL 80 - HN LEU 74 8.333% * 0.0874% (0.38 0.02 0.56) = 0.087% QD1 LEU 17 - HN LEU 74 8.333% * 0.0719% (0.31 0.02 0.30) = 0.072% QG1 VAL 105 - HN LEU 74 8.333% * 0.0648% (0.28 0.02 0.63) = 0.065% QG1 VAL 122 - HN LEU 74 8.333% * 0.0581% (0.25 0.02 5.46) = 0.058% QG2 VAL 47 - HN LEU 74 8.333% * 0.0359% (0.15 0.02 0.85) = 0.036% Peak 32 (0.71, 8.45, 129.16 ppm): 9 chemical-shift based assignments, quality = 0.704, support = 0.919, residual support = 10.0: QG2 ILE 101 - HN LEU 74 11.111% * 37.1259% (0.98 0.63 12.86) = 37.126% kept QD1 ILE 68 - HN LEU 74 11.111% * 31.8050% (0.28 1.91 9.35) = 31.805% kept QG2 ILE 48 - HN LEU 74 11.111% * 19.3023% (0.92 0.35 5.19) = 19.302% kept HG LEU 67 - HN LEU 74 11.111% * 5.0490% (0.92 0.09 24.34) = 5.049% kept * QG2 VAL 94 - HN LEU 74 11.111% * 3.9642% (0.41 0.16 0.72) = 3.964% kept HG2 PRO 59 - HN LEU 74 11.111% * 1.1351% (0.95 0.02 0.02) = 1.135% kept QD1 ILE 19 - HN LEU 74 11.111% * 0.5841% (0.49 0.02 0.02) = 0.584% QG2 VAL 40 - HN LEU 74 11.111% * 0.5841% (0.49 0.02 0.02) = 0.584% HG12 ILE 19 - HN LEU 74 11.111% * 0.4504% (0.38 0.02 0.02) = 0.450% 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): 3 chemical-shift based assignments, quality = 0.999, support = 5.02, residual support = 59.3: * QD2 LEU 74 - HN LEU 74 33.333% * 90.9895% (1.00 5.46 64.26) = 90.989% kept QG2 ILE 68 - HN LEU 74 33.333% * 8.8855% (1.00 0.53 9.35) = 8.885% kept QD2 LEU 43 - HN LEU 74 33.333% * 0.1251% (0.38 0.02 6.55) = 0.125% Peak 37 (4.96, 8.45, 129.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 3 chemical-shift based assignments, quality = 0.993, support = 3.95, residual support = 24.0: * O HA GLN 102 - HN GLN 102 33.333% * 99.8039% (1.00 10.0 3.96 24.03) = 99.804% kept HA ALA 33 - HN GLN 102 33.333% * 0.0998% (1.00 1.0 0.02 1.51) = 0.100% HA HIS+ 98 - HN GLN 102 33.333% * 0.0963% (0.96 1.0 0.02 0.02) = 0.096% Peak 40 (0.70, 8.91, 128.65 ppm): 9 chemical-shift based assignments, quality = 0.919, support = 2.94, residual support = 17.1: * QG2 ILE 101 - HN GLN 102 11.111% * 85.6152% (0.94 3.40 20.00) = 85.615% kept HG2 PRO 59 - HN GLN 102 11.111% * 8.3996% (0.98 0.32 0.26) = 8.400% kept QG2 ILE 48 - HN GLN 102 11.111% * 2.3412% (0.86 0.10 0.02) = 2.341% kept QD1 ILE 19 - HN GLN 102 11.111% * 1.9488% (0.56 0.13 0.02) = 1.949% kept HG LEU 67 - HN GLN 102 11.111% * 0.5141% (0.96 0.02 0.02) = 0.514% QD1 ILE 68 - HN GLN 102 11.111% * 0.4639% (0.22 0.08 0.02) = 0.464% QG2 VAL 94 - HN GLN 102 11.111% * 0.2593% (0.48 0.02 0.02) = 0.259% HG12 ILE 19 - HN GLN 102 11.111% * 0.2389% (0.45 0.02 0.02) = 0.239% QG2 VAL 40 - HN GLN 102 11.111% * 0.2190% (0.41 0.02 0.02) = 0.219% Peak 41 (1.90, 8.91, 128.65 ppm): 12 chemical-shift based assignments, quality = 0.905, support = 3.98, residual support = 21.7: * O HB3 GLN 102 - HN GLN 102 8.333% * 89.9568% (0.92 10.0 4.26 24.03) = 89.957% kept HG2 GLU- 18 - HN GLN 102 8.333% * 7.2356% (0.76 1.0 1.94 1.52) = 7.236% kept HB3 MET 118 - HN GLN 102 8.333% * 1.2543% (0.99 1.0 0.26 0.02) = 1.254% kept HB3 GLU- 54 - HN GLN 102 8.333% * 1.1700% (0.94 1.0 0.25 0.13) = 1.170% kept HB3 CYS 123 - HN GLN 102 8.333% * 0.0922% (0.94 1.0 0.02 0.02) = 0.092% HD3 LYS+ 63 - HN GLN 102 8.333% * 0.0745% (0.76 1.0 0.02 0.02) = 0.074% HB3 GLU- 56 - HN GLN 102 8.333% * 0.0513% (0.52 1.0 0.02 0.02) = 0.051% HB2 LEU 23 - HN GLN 102 8.333% * 0.0474% (0.48 1.0 0.02 0.73) = 0.047% HB3 PRO 35 - HN GLN 102 8.333% * 0.0366% (0.37 1.0 0.02 0.02) = 0.037% HG3 LYS+ 120 - HN GLN 102 8.333% * 0.0301% (0.31 1.0 0.02 0.02) = 0.030% HB3 ARG+ 84 - HN GLN 102 8.333% * 0.0271% (0.28 1.0 0.02 0.02) = 0.027% HB ILE 29 - HN GLN 102 8.333% * 0.0243% (0.25 1.0 0.02 0.02) = 0.024% Peak 42 (4.46, 8.91, 128.65 ppm): 9 chemical-shift based assignments, quality = 0.988, support = 4.26, residual support = 17.4: * O HA ILE 101 - HN GLN 102 11.111% * 86.6505% (0.99 10.0 4.64 20.00) = 86.651% kept HA ILE 100 - HN GLN 102 11.111% * 9.8805% (0.99 1.0 2.30 0.28) = 9.880% kept HA GLU- 50 - HN GLN 102 11.111% * 1.9463% (0.96 1.0 0.46 0.32) = 1.946% kept HA LYS+ 32 - HN GLN 102 11.111% * 1.3160% (0.92 1.0 0.33 0.21) = 1.316% kept HA PRO 86 - HN GLN 102 11.111% * 0.0838% (0.96 1.0 0.02 0.02) = 0.084% HA VAL 99 - HN GLN 102 11.111% * 0.0753% (0.86 1.0 0.02 0.02) = 0.075% HB THR 24 - HN GLN 102 11.111% * 0.0172% (0.20 1.0 0.02 0.02) = 0.017% HA LYS+ 111 - HN GLN 102 11.111% * 0.0152% (0.17 1.0 0.02 0.24) = 0.015% HA ASN 76 - HN GLN 102 11.111% * 0.0152% (0.17 1.0 0.02 0.02) = 0.015% Peak 43 (0.53, 8.91, 128.65 ppm): 2 chemical-shift based assignments, quality = 0.84, support = 3.28, residual support = 20.0: HG13 ILE 101 - HN GLN 102 50.000% * 84.3050% (0.96 3.33 20.00) = 84.305% kept * QD1 ILE 101 - HN GLN 102 50.000% * 15.6950% (0.20 3.02 20.00) = 15.695% kept Peak 44 (2.14, 8.91, 128.65 ppm): 9 chemical-shift based assignments, quality = 0.901, support = 2.63, residual support = 16.4: * HG3 GLN 102 - HN GLN 102 11.111% * 64.8893% (0.99 3.33 24.03) = 64.889% kept HB3 GLU- 75 - HN GLN 102 11.111% * 25.1447% (0.74 1.72 3.10) = 25.145% kept HB VAL 47 - HN GLN 102 11.111% * 7.1730% (0.98 0.37 0.26) = 7.173% kept HA1 GLY 58 - HN GLN 102 11.111% * 1.8525% (0.23 0.40 0.02) = 1.853% kept HB2 ASP- 28 - HN GLN 102 11.111% * 0.3851% (0.98 0.02 0.02) = 0.385% HB3 LYS+ 78 - HN GLN 102 11.111% * 0.3281% (0.83 0.02 0.02) = 0.328% HG2 PRO 104 - HN GLN 102 11.111% * 0.0980% (0.25 0.02 0.02) = 0.098% HG3 GLU- 56 - HN GLN 102 11.111% * 0.0688% (0.17 0.02 0.02) = 0.069% HB3 LEU 43 - HN GLN 102 11.111% * 0.0606% (0.15 0.02 0.02) = 0.061% Peak 45 (4.24, 8.91, 128.65 ppm): 12 chemical-shift based assignments, quality = 0.839, support = 1.04, residual support = 0.674: HA PRO 59 - HN GLN 102 8.333% * 37.8581% (0.89 1.41 0.26) = 37.858% kept HA GLU- 18 - HN GLN 102 8.333% * 32.2811% (0.86 1.24 1.52) = 32.281% kept HA GLU- 54 - HN GLN 102 8.333% * 11.0732% (0.94 0.39 0.13) = 11.073% kept HA SER 49 - HN GLN 102 8.333% * 10.4052% (0.89 0.39 0.02) = 10.405% kept HB3 SER 49 - HN GLN 102 8.333% * 4.3099% (0.45 0.32 0.02) = 4.310% kept HA GLU- 75 - HN GLN 102 8.333% * 2.2018% (0.28 0.26 3.10) = 2.202% kept HA LYS+ 108 - HN GLN 102 8.333% * 0.5205% (0.86 0.02 0.02) = 0.521% HA2 GLY 114 - HN GLN 102 8.333% * 0.3640% (0.60 0.02 0.02) = 0.364% HA ALA 42 - HN GLN 102 8.333% * 0.3157% (0.52 0.02 0.02) = 0.316% HA GLU- 56 - HN GLN 102 8.333% * 0.2921% (0.48 0.02 0.02) = 0.292% HA LYS+ 110 - HN GLN 102 8.333% * 0.2921% (0.48 0.02 1.48) = 0.292% HA LYS+ 44 - HN GLN 102 8.333% * 0.0864% (0.14 0.02 0.02) = 0.086% Reference assignment not found: HA ASN 89 - HN GLN 102 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): 9 chemical-shift based assignments, quality = 0.991, support = 4.28, residual support = 17.3: * O HA ILE 100 - HN ILE 101 11.111% * 47.9295% (1.00 10.0 3.94 9.19) = 47.929% kept O HA ILE 101 - HN ILE 101 11.111% * 47.8231% (1.00 10.0 4.89 26.87) = 47.823% kept HA VAL 99 - HN ILE 101 11.111% * 2.6646% (0.80 1.0 1.39 0.02) = 2.665% kept HA LYS+ 32 - HN ILE 101 11.111% * 1.4665% (0.96 1.0 0.63 0.02) = 1.467% kept HA PRO 86 - HN ILE 101 11.111% * 0.0475% (0.99 1.0 0.02 0.02) = 0.048% HA GLU- 50 - HN ILE 101 11.111% * 0.0442% (0.92 1.0 0.02 0.02) = 0.044% HA ASN 76 - HN ILE 101 11.111% * 0.0107% (0.22 1.0 0.02 0.02) = 0.011% HB THR 24 - HN ILE 101 11.111% * 0.0074% (0.15 1.0 0.02 0.02) = 0.007% HA LYS+ 111 - HN ILE 101 11.111% * 0.0065% (0.14 1.0 0.02 0.02) = 0.006% Peak 51 (2.06, 8.74, 127.82 ppm): 13 chemical-shift based assignments, quality = 0.738, support = 1.3, residual support = 1.68: * HB3 GLU- 75 - HN ILE 101 7.692% * 51.4004% (0.84 1.97 3.18) = 51.400% kept HG3 ARG+ 53 - HN ILE 101 7.692% * 20.0298% (0.92 0.70 0.21) = 20.030% kept HB3 LYS+ 120 - HN ILE 101 7.692% * 11.4857% (0.61 0.61 0.02) = 11.486% kept HB3 LYS+ 110 - HN ILE 101 7.692% * 4.2533% (0.25 0.55 0.02) = 4.253% kept HB2 LYS+ 110 - HN ILE 101 7.692% * 3.9795% (0.20 0.65 0.02) = 3.979% kept HB2 GLU- 45 - HN ILE 101 7.692% * 3.5999% (0.73 0.16 0.02) = 3.600% kept HA1 GLY 58 - HN ILE 101 7.692% * 2.6072% (0.15 0.58 0.02) = 2.607% kept HD3 LYS+ 110 - HN ILE 101 7.692% * 1.8126% (0.25 0.23 0.02) = 1.813% kept HB VAL 62 - HN ILE 101 7.692% * 0.2781% (0.45 0.02 0.02) = 0.278% HG3 PRO 86 - HN ILE 101 7.692% * 0.2781% (0.45 0.02 0.02) = 0.278% HB2 LEU 43 - HN ILE 101 7.692% * 0.0957% (0.15 0.02 0.02) = 0.096% HB3 GLU- 107 - HN ILE 101 7.692% * 0.0957% (0.15 0.02 0.02) = 0.096% HB VAL 125 - HN ILE 101 7.692% * 0.0840% (0.14 0.02 0.02) = 0.084% Peak 52 (0.85, 8.74, 127.82 ppm): 12 chemical-shift based assignments, quality = 0.935, support = 3.87, residual support = 24.0: * O HB ILE 101 - HN ILE 101 8.333% * 82.5584% (1.00 10.0 3.97 26.87) = 82.558% kept QG2 ILE 100 - HN ILE 101 8.333% * 11.2117% (0.76 1.0 3.55 9.19) = 11.212% kept HG LEU 74 - HN ILE 101 8.333% * 5.8780% (0.43 1.0 3.30 12.86) = 5.878% kept HG3 LYS+ 117 - HN ILE 101 8.333% * 0.0797% (0.96 1.0 0.02 0.02) = 0.080% HG2 LYS+ 117 - HN ILE 101 8.333% * 0.0716% (0.87 1.0 0.02 0.02) = 0.072% QD1 LEU 90 - HN ILE 101 8.333% * 0.0661% (0.80 1.0 0.02 0.02) = 0.066% QG2 VAL 122 - HN ILE 101 8.333% * 0.0370% (0.45 1.0 0.02 0.02) = 0.037% QD1 ILE 29 - HN ILE 101 8.333% * 0.0339% (0.41 1.0 0.02 0.02) = 0.034% QG1 VAL 40 - HN ILE 101 8.333% * 0.0184% (0.22 1.0 0.02 0.02) = 0.018% QG2 VAL 125 - HN ILE 101 8.333% * 0.0163% (0.20 1.0 0.02 0.02) = 0.016% QG2 VAL 47 - HN ILE 101 8.333% * 0.0145% (0.17 1.0 0.02 0.02) = 0.014% HG2 LYS+ 113 - HN ILE 101 8.333% * 0.0145% (0.17 1.0 0.02 0.02) = 0.014% Peak 53 (1.61, 8.74, 127.82 ppm): 10 chemical-shift based assignments, quality = 0.647, support = 4.2, residual support = 16.7: * HG12 ILE 101 - HN ILE 101 10.000% * 49.2348% (0.65 5.33 26.87) = 49.235% kept HB ILE 100 - HN ILE 101 10.000% * 37.3555% (0.65 4.05 9.19) = 37.355% kept HD3 LYS+ 32 - HN ILE 101 10.000% * 6.0829% (0.76 0.56 0.02) = 6.083% kept HG3 LYS+ 110 - HN ILE 101 10.000% * 3.4963% (0.96 0.25 0.02) = 3.496% kept HB3 LYS+ 32 - HN ILE 101 10.000% * 2.6936% (0.28 0.68 0.02) = 2.694% kept HG2 LYS+ 110 - HN ILE 101 10.000% * 0.2797% (0.98 0.02 0.02) = 0.280% HG3 LYS+ 78 - HN ILE 101 10.000% * 0.2634% (0.92 0.02 0.02) = 0.263% HB3 LEU 17 - HN ILE 101 10.000% * 0.2475% (0.87 0.02 0.02) = 0.248% HB2 LEU 67 - HN ILE 101 10.000% * 0.1846% (0.65 0.02 0.02) = 0.185% HG LEU 23 - HN ILE 101 10.000% * 0.1616% (0.57 0.02 0.56) = 0.162% Peak 54 (1.26, 8.74, 127.82 ppm): 3 chemical-shift based assignments, quality = 0.784, support = 2.94, residual support = 11.9: HG LEU 74 - HN ILE 101 33.333% * 86.8573% (0.83 3.30 12.86) = 86.857% kept HG2 LYS+ 32 - HN ILE 101 33.333% * 7.7983% (0.73 0.34 0.02) = 7.798% kept HB3 LEU 74 - HN ILE 101 33.333% * 5.3444% (0.20 0.85 12.86) = 5.344% kept Peak 55 (0.71, 8.74, 127.82 ppm): 11 chemical-shift based assignments, quality = 0.843, support = 4.5, residual support = 23.7: * QG2 ILE 101 - HN ILE 101 9.091% * 84.1400% (0.94 5.00 26.87) = 84.140% kept HG LEU 74 - HN ILE 101 9.091% * 8.5734% (0.15 3.30 12.86) = 8.573% kept QD1 ILE 68 - HN ILE 101 9.091% * 3.2759% (0.57 0.33 0.12) = 3.276% kept QG2 VAL 40 - HN ILE 101 9.091% * 2.1773% (0.80 0.15 0.02) = 2.177% kept HG2 PRO 59 - HN ILE 101 9.091% * 0.9651% (0.69 0.08 0.48) = 0.965% QG2 ILE 48 - HN ILE 101 9.091% * 0.3528% (0.99 0.02 0.02) = 0.353% HG LEU 67 - HN ILE 101 9.091% * 0.2302% (0.65 0.02 0.02) = 0.230% HG3 LYS+ 66 - HN ILE 101 9.091% * 0.0887% (0.25 0.02 4.12) = 0.089% QD1 ILE 19 - HN ILE 101 9.091% * 0.0792% (0.22 0.02 0.02) = 0.079% QG2 VAL 94 - HN ILE 101 9.091% * 0.0623% (0.17 0.02 0.02) = 0.062% HG12 ILE 19 - HN ILE 101 9.091% * 0.0549% (0.15 0.02 0.02) = 0.055% Peak 56 (0.54, 8.74, 127.82 ppm): 2 chemical-shift based assignments, quality = 0.799, support = 4.59, residual support = 26.9: HG13 ILE 101 - HN ILE 101 50.000% * 68.2439% (0.94 4.74 26.87) = 68.244% kept * QD1 ILE 101 - HN ILE 101 50.000% * 31.7561% (0.49 4.28 26.87) = 31.756% kept Peak 57 (4.47, 8.35, 127.86 ppm): 9 chemical-shift based assignments, quality = 0.868, support = 1.74, residual support = 0.944: HA ILE 101 - HN ALA 103 11.111% * 65.4407% (0.90 2.25 1.39) = 65.441% kept HA ILE 100 - HN ALA 103 11.111% * 27.7584% (0.92 0.93 0.12) = 27.758% kept HA VAL 99 - HN ALA 103 11.111% * 3.9038% (0.59 0.20 0.02) = 3.904% kept HA ASN 76 - HN ALA 103 11.111% * 0.9297% (0.37 0.08 0.02) = 0.930% HA LYS+ 32 - HN ALA 103 11.111% * 0.6294% (0.97 0.02 0.02) = 0.629% HA PRO 86 - HN ALA 103 11.111% * 0.6183% (0.96 0.02 0.02) = 0.618% HA GLU- 50 - HN ALA 103 11.111% * 0.4821% (0.75 0.02 0.02) = 0.482% HA CYS 123 - HN ALA 103 11.111% * 0.1404% (0.22 0.02 0.02) = 0.140% HA SER 77 - HN ALA 103 11.111% * 0.0973% (0.15 0.02 0.02) = 0.097% Reference assignment not found: HA ALA 103 - HN ALA 103 Peak 58 (1.29, 8.35, 127.86 ppm): 6 chemical-shift based assignments, quality = 0.404, support = 2.41, residual support = 6.8: * O QB ALA 103 - HN ALA 103 16.667% * 89.9247% (0.37 10.0 2.62 7.56) = 89.925% kept HG LEU 74 - HN ALA 103 16.667% * 6.1413% (0.71 1.0 0.70 0.02) = 6.141% kept QG2 THR 46 - HN ALA 103 16.667% * 3.4277% (0.90 1.0 0.31 0.02) = 3.428% kept HB2 LYS+ 55 - HN ALA 103 16.667% * 0.2396% (0.97 1.0 0.02 0.02) = 0.240% HB3 LEU 74 - HN ALA 103 16.667% * 0.2001% (0.81 1.0 0.02 0.02) = 0.200% HG2 LYS+ 32 - HN ALA 103 16.667% * 0.0666% (0.27 1.0 0.02 0.02) = 0.067% Peak 59 (1.89, 8.35, 127.86 ppm): 8 chemical-shift based assignments, quality = 0.541, support = 2.6, residual support = 6.29: * HB3 GLN 102 - HN ALA 103 12.500% * 68.3686% (0.44 3.62 9.19) = 68.369% kept HG2 GLU- 18 - HN ALA 103 12.500% * 17.6592% (0.97 0.42 0.02) = 17.659% kept HB3 MET 118 - HN ALA 103 12.500% * 11.2802% (0.63 0.41 0.02) = 11.280% kept HB3 CYS 123 - HN ALA 103 12.500% * 0.7304% (0.85 0.02 0.02) = 0.730% HG3 LYS+ 120 - HN ALA 103 12.500% * 0.6742% (0.78 0.02 0.02) = 0.674% HB3 ARG+ 84 - HN ALA 103 12.500% * 0.6435% (0.75 0.02 0.02) = 0.643% HB3 GLU- 54 - HN ALA 103 12.500% * 0.4098% (0.47 0.02 0.02) = 0.410% HD3 LYS+ 63 - HN ALA 103 12.500% * 0.2341% (0.27 0.02 0.02) = 0.234% 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): 5 chemical-shift based assignments, quality = 0.553, support = 0.446, residual support = 0.113: HA PRO 116 - HN ALA 103 20.000% * 55.7267% (0.47 0.64 0.19) = 55.727% kept HA MET 118 - HN ALA 103 20.000% * 31.7143% (0.67 0.26 0.02) = 31.714% kept HA ASP- 115 - HN ALA 103 20.000% * 8.8343% (0.63 0.08 0.02) = 8.834% kept HA VAL 40 - HN ALA 103 20.000% * 2.7311% (0.75 0.02 0.02) = 2.731% kept HA LYS+ 113 - HN ALA 103 20.000% * 0.9936% (0.27 0.02 0.02) = 0.994% Reference assignment not found: HA ASN 89 - HN ALA 103 Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 62 (2.14, 8.35, 127.86 ppm): 7 chemical-shift based assignments, quality = 0.854, support = 1.56, residual support = 6.33: * HG3 GLN 102 - HN ALA 103 14.286% * 58.7346% (0.97 2.26 9.19) = 58.735% kept HB VAL 47 - HN ALA 103 14.286% * 14.2633% (0.87 0.61 0.39) = 14.263% kept HB3 GLU- 75 - HN ALA 103 14.286% * 10.8316% (0.69 0.59 0.02) = 10.832% kept HG2 PRO 104 - HN ALA 103 14.286% * 7.2878% (0.37 0.74 12.02) = 7.288% kept HB2 ASP- 28 - HN ALA 103 14.286% * 6.4587% (0.87 0.27 0.02) = 6.459% kept HA1 GLY 58 - HN ALA 103 14.286% * 1.9284% (0.23 0.31 0.02) = 1.928% kept HB3 LYS+ 78 - HN ALA 103 14.286% * 0.4957% (0.92 0.02 0.02) = 0.496% Peak 63 (8.90, 8.35, 127.86 ppm): 2 chemical-shift based assignments, quality = 0.954, support = 3.67, residual support = 9.17: * HN GLN 102 - HN ALA 103 50.000% * 99.8110% (0.96 3.68 9.19) = 99.811% kept HN ASP- 36 - HN ALA 103 50.000% * 0.1890% (0.33 0.02 0.02) = 0.189% 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): 3 chemical-shift based assignments, quality = 0.55, support = 1.4, residual support = 2.54: O HA THR 96 - HN MET 97 33.333% * 52.8483% (0.61 10.0 1.33 2.01) = 52.848% kept * O HA MET 97 - HN MET 97 33.333% * 47.1288% (0.49 10.0 1.48 3.14) = 47.129% kept HA GLU- 107 - HN MET 97 33.333% * 0.0229% (0.18 1.0 0.02 0.02) = 0.023% Peak 68 (1.66, 8.96, 127.54 ppm): 6 chemical-shift based assignments, quality = 0.921, support = 2.34, residual support = 2.98: * O HB3 MET 97 - HN MET 97 16.667% * 94.9447% (0.92 10.0 2.43 3.14) = 94.945% kept HB3 ARG+ 22 - HN MET 97 16.667% * 3.7560% (0.87 1.0 0.84 0.02) = 3.756% kept HG3 ARG+ 84 - HN MET 97 16.667% * 1.1858% (1.00 1.0 0.23 0.02) = 1.186% kept HB3 MET 126 - HN MET 97 16.667% * 0.0747% (0.73 1.0 0.02 0.02) = 0.075% HD3 LYS+ 55 - HN MET 97 16.667% * 0.0229% (0.22 1.0 0.02 0.02) = 0.023% HG LEU 23 - HN MET 97 16.667% * 0.0159% (0.15 1.0 0.02 0.10) = 0.016% Peak 69 (0.69, 8.96, 127.54 ppm): 8 chemical-shift based assignments, quality = 0.96, support = 2.65, residual support = 5.94: QD1 ILE 19 - HN MET 97 12.500% * 38.8726% (1.00 3.12 7.56) = 38.873% kept HG12 ILE 19 - HN MET 97 12.500% * 36.7388% (0.97 3.05 7.56) = 36.739% kept QG2 VAL 94 - HN MET 97 12.500% * 19.3728% (0.98 1.58 1.19) = 19.373% kept HG LEU 67 - HN MET 97 12.500% * 2.0922% (0.76 0.22 0.02) = 2.092% kept HG2 PRO 59 - HN MET 97 12.500% * 1.6379% (0.73 0.18 0.02) = 1.638% kept QG1 VAL 62 - HN MET 97 12.500% * 0.7638% (0.53 0.12 0.02) = 0.764% QG2 ILE 101 - HN MET 97 12.500% * 0.4447% (0.41 0.09 0.02) = 0.445% QG2 ILE 48 - HN MET 97 12.500% * 0.0771% (0.31 0.02 0.02) = 0.077% Peak 70 (4.69, 8.96, 127.54 ppm): 7 chemical-shift based assignments, quality = 0.876, support = 0.124, residual support = 0.02: HA THR 61 - HN MET 97 14.286% * 40.5325% (1.00 0.18 0.02) = 40.532% kept HA ASN 119 - HN MET 97 14.286% * 20.8813% (0.99 0.09 0.02) = 20.881% kept HA ASN 89 - HN MET 97 14.286% * 16.6846% (0.98 0.08 0.02) = 16.685% kept HA TYR 83 - HN MET 97 14.286% * 11.9920% (0.69 0.08 0.02) = 11.992% kept HA LYS+ 120 - HN MET 97 14.286% * 5.1764% (0.20 0.12 0.02) = 5.176% kept HA2 GLY 30 - HN MET 97 14.286% * 3.7260% (0.15 0.11 0.02) = 3.726% kept HA ASP- 36 - HN MET 97 14.286% * 1.0073% (0.22 0.02 0.02) = 1.007% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 71 (4.94, 8.96, 127.54 ppm): 3 chemical-shift based assignments, quality = 0.387, support = 1.3, residual support = 3.89: * HA HIS+ 98 - HN MET 97 33.333% * 57.1853% (0.45 1.26 5.66) = 57.185% kept HA ALA 33 - HN MET 97 33.333% * 42.1923% (0.31 1.36 1.56) = 42.192% kept HA GLN 102 - HN MET 97 33.333% * 0.6225% (0.31 0.02 0.02) = 0.622% Peak 72 (5.26, 8.96, 127.54 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 0.422, residual support = 0.422: HA PHE 21 - HN MET 97 100.000% *100.0000% (0.98 0.42 0.42) = 100.000% kept Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 73 (8.58, 8.96, 127.54 ppm): 4 chemical-shift based assignments, quality = 0.445, support = 4.1, residual support = 8.77: * T HN LYS+ 20 - HN MET 97 25.000% * 99.3436% (0.45 10.00 4.12 8.82) = 99.344% kept HN VAL 80 - HN MET 97 25.000% * 0.2196% (0.99 1.00 0.02 0.36) = 0.220% HN VAL 73 - HN MET 97 25.000% * 0.2196% (0.99 1.00 0.02 0.02) = 0.220% HN THR 39 - HN MET 97 25.000% * 0.2172% (0.98 1.00 0.02 0.02) = 0.217% Peak 74 (8.32, 8.32, 127.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 75 (0.85, 8.32, 127.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 76 (4.13, 8.32, 127.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 77 (1.81, 8.32, 127.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 78 (7.99, 8.01, 126.97 ppm): 1 diagonal assignment: * HN MET 126 - HN MET 126 (0.81) kept Peak 79 (4.19, 8.01, 126.97 ppm): 6 chemical-shift based assignments, quality = 0.964, support = 0.994, residual support = 3.1: * O HA MET 126 - HN MET 126 16.667% * 99.4087% (0.97 10.0 1.00 3.12) = 99.409% kept HA GLU- 64 - HN MET 126 16.667% * 0.1783% (0.87 1.0 0.02 0.02) = 0.178% HA VAL 73 - HN MET 126 16.667% * 0.1519% (0.74 1.0 0.02 0.02) = 0.152% HA ASP- 82 - HN MET 126 16.667% * 0.1286% (0.63 1.0 0.02 0.02) = 0.129% HA GLU- 109 - HN MET 126 16.667% * 0.0746% (0.36 1.0 0.02 0.02) = 0.075% HA LYS+ 44 - HN MET 126 16.667% * 0.0578% (0.28 1.0 0.02 0.02) = 0.058% 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): 7 chemical-shift based assignments, quality = 0.995, support = 3.01, residual support = 13.7: * O HA ASP- 36 - HN ASP- 36 14.286% * 99.6741% (1.00 10.0 3.02 13.77) = 99.674% kept HA LYS+ 120 - HN ASP- 36 14.286% * 0.0995% (1.00 1.0 0.02 0.02) = 0.099% HA LYS+ 20 - HN ASP- 36 14.286% * 0.0798% (0.80 1.0 0.02 0.02) = 0.080% HA TYR 83 - HN ASP- 36 14.286% * 0.0685% (0.69 1.0 0.02 0.02) = 0.068% HA ASN 89 - HN ASP- 36 14.286% * 0.0308% (0.31 1.0 0.02 0.02) = 0.031% HA ASN 119 - HN ASP- 36 14.286% * 0.0277% (0.28 1.0 0.02 0.02) = 0.028% HA THR 61 - HN ASP- 36 14.286% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% Peak 84 (2.64, 8.88, 126.48 ppm): 6 chemical-shift based assignments, quality = 0.244, support = 2.7, residual support = 11.9: * O HB3 ASP- 36 - HN ASP- 36 16.667% * 86.0758% (0.14 10.0 3.08 13.77) = 86.076% kept HA1 GLY 58 - HN ASP- 36 16.667% * 12.7948% (1.00 1.0 0.40 0.10) = 12.795% kept HB3 ASP- 82 - HN ASP- 36 16.667% * 0.6304% (0.99 1.0 0.02 0.02) = 0.630% HE2 LYS+ 20 - HN ASP- 36 16.667% * 0.1963% (0.31 1.0 0.02 0.02) = 0.196% HB2 ASP- 25 - HN ASP- 36 16.667% * 0.1768% (0.28 1.0 0.02 0.02) = 0.177% HE2 LYS+ 120 - HN ASP- 36 16.667% * 0.1259% (0.20 1.0 0.02 0.02) = 0.126% 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): 5 chemical-shift based assignments, quality = 0.891, support = 3.04, residual support = 13.5: * O HB2 ASP- 36 - HN ASP- 36 20.000% * 85.8898% (1.00 10.0 3.08 13.77) = 85.890% kept O HB3 ASP- 36 - HN ASP- 36 20.000% * 12.4465% (0.14 10.0 3.08 13.77) = 12.446% kept HA1 GLY 58 - HN ASP- 36 20.000% * 1.5931% (0.92 1.0 0.40 0.10) = 1.593% kept HB2 ASP- 115 - HN ASP- 36 20.000% * 0.0590% (0.69 1.0 0.02 0.02) = 0.059% HB3 LYS+ 81 - HN ASP- 36 20.000% * 0.0116% (0.14 1.0 0.02 0.02) = 0.012% Peak 87 (4.28, 8.88, 126.48 ppm): 12 chemical-shift based assignments, quality = 0.868, support = 0.276, residual support = 0.0529: HD3 PRO 59 - HN ASP- 36 8.333% * 42.8241% (0.92 0.34 0.02) = 42.824% kept HA VAL 65 - HN ASP- 36 8.333% * 38.9484% (0.87 0.33 0.11) = 38.948% kept HA ALA 91 - HN ASP- 36 8.333% * 2.5911% (0.94 0.02 0.02) = 2.591% kept HA SER 85 - HN ASP- 36 8.333% * 2.5285% (0.92 0.02 0.02) = 2.528% kept HA PRO 52 - HN ASP- 36 8.333% * 2.5285% (0.92 0.02 0.02) = 2.528% kept HA THR 106 - HN ASP- 36 8.333% * 2.4565% (0.90 0.02 0.02) = 2.456% kept HA ARG+ 84 - HN ASP- 36 8.333% * 2.2879% (0.83 0.02 0.02) = 2.288% kept HA LEU 90 - HN ASP- 36 8.333% * 2.0933% (0.76 0.02 0.02) = 2.093% kept HA GLU- 75 - HN ASP- 36 8.333% * 1.4411% (0.53 0.02 0.02) = 1.441% kept HA GLU- 56 - HN ASP- 36 8.333% * 0.8454% (0.31 0.02 0.02) = 0.845% HA PRO 104 - HN ASP- 36 8.333% * 0.8454% (0.31 0.02 0.02) = 0.845% HA2 GLY 114 - HN ASP- 36 8.333% * 0.6098% (0.22 0.02 0.02) = 0.610% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 88 (7.76, 8.88, 126.48 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 4.35, residual support = 17.4: * T HN ALA 37 - HN ASP- 36 25.000% * 99.7811% (1.00 10.00 4.36 17.46) = 99.781% kept HN SER 124 - HN ASP- 36 25.000% * 0.1000% (1.00 1.00 0.02 0.02) = 0.100% HN VAL 125 - HN ASP- 36 25.000% * 0.0991% (0.99 1.00 0.02 0.02) = 0.099% HN ALA 42 - HN ASP- 36 25.000% * 0.0198% (0.20 1.00 0.02 0.02) = 0.020% Peak 89 (1.92, 8.88, 126.48 ppm): 14 chemical-shift based assignments, quality = 0.978, support = 1.97, residual support = 2.1: * O HB3 PRO 35 - HN ASP- 36 7.143% * 96.8141% (1.00 10.0 2.03 2.16) = 96.814% kept HB3 GLU- 56 - HN ASP- 36 7.143% * 1.1866% (0.96 1.0 0.25 0.02) = 1.187% kept HB2 GLU- 75 - HN ASP- 36 7.143% * 0.7315% (0.45 1.0 0.34 0.02) = 0.731% HB3 LYS+ 55 - HN ASP- 36 7.143% * 0.6625% (0.28 1.0 0.49 0.02) = 0.663% HB2 LEU 23 - HN ASP- 36 7.143% * 0.0949% (0.98 1.0 0.02 0.02) = 0.095% HB ILE 29 - HN ASP- 36 7.143% * 0.0934% (0.96 1.0 0.02 0.02) = 0.093% HD3 LYS+ 63 - HN ASP- 36 7.143% * 0.0775% (0.80 1.0 0.02 0.02) = 0.078% HB2 PRO 116 - HN ASP- 36 7.143% * 0.0740% (0.76 1.0 0.02 0.02) = 0.074% HG2 PRO 112 - HN ASP- 36 7.143% * 0.0665% (0.69 1.0 0.02 0.02) = 0.067% HB3 GLN 102 - HN ASP- 36 7.143% * 0.0587% (0.61 1.0 0.02 0.02) = 0.059% HB3 GLU- 54 - HN ASP- 36 7.143% * 0.0548% (0.57 1.0 0.02 0.02) = 0.055% HB3 MET 118 - HN ASP- 36 7.143% * 0.0398% (0.41 1.0 0.02 0.02) = 0.040% HG3 PRO 31 - HN ASP- 36 7.143% * 0.0241% (0.25 1.0 0.02 0.02) = 0.024% HB3 CYS 123 - HN ASP- 36 7.143% * 0.0216% (0.22 1.0 0.02 0.02) = 0.022% Peak 90 (2.10, 8.88, 126.48 ppm): 11 chemical-shift based assignments, quality = 0.877, support = 0.459, residual support = 0.236: HB VAL 87 - HN ASP- 36 9.091% * 32.5196% (0.90 0.73 0.63) = 32.520% kept HB VAL 65 - HN ASP- 36 9.091% * 19.6252% (0.92 0.43 0.11) = 19.625% kept HB3 GLU- 75 - HN ASP- 36 9.091% * 16.5752% (0.98 0.34 0.02) = 16.575% kept HB3 LEU 43 - HN ASP- 36 9.091% * 13.3259% (0.94 0.28 0.02) = 13.326% kept HG3 GLU- 56 - HN ASP- 36 9.091% * 11.7065% (0.92 0.25 0.02) = 11.707% kept HA1 GLY 58 - HN ASP- 36 9.091% * 3.8688% (0.19 0.40 0.10) = 3.869% kept HB VAL 125 - HN ASP- 36 9.091% * 0.6460% (0.65 0.02 0.02) = 0.646% HB2 LEU 43 - HN ASP- 36 9.091% * 0.6057% (0.61 0.02 0.02) = 0.606% HB2 LYS+ 110 - HN ASP- 36 9.091% * 0.5254% (0.53 0.02 0.02) = 0.525% HD3 LYS+ 110 - HN ASP- 36 9.091% * 0.4477% (0.45 0.02 0.02) = 0.448% HB3 LYS+ 120 - HN ASP- 36 9.091% * 0.1541% (0.15 0.02 0.02) = 0.154% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 91 (4.26, 8.78, 126.61 ppm): 13 chemical-shift based assignments, quality = 0.754, support = 0.937, residual support = 0.559: HD3 PRO 59 - HN THR 95 7.692% * 31.5802% (0.80 1.70 1.27) = 31.580% kept HA ALA 91 - HN THR 95 7.692% * 14.0078% (0.76 0.79 0.02) = 14.008% kept HA PRO 59 - HN THR 95 7.692% * 11.4461% (0.48 1.01 1.27) = 11.446% kept HA SER 85 - HN THR 95 7.692% * 9.4805% (0.80 0.51 0.02) = 9.480% kept HA VAL 65 - HN THR 95 7.692% * 9.3311% (0.86 0.46 0.02) = 9.331% kept HA ARG+ 84 - HN THR 95 7.692% * 9.0111% (0.89 0.43 0.02) = 9.011% kept HA LYS+ 108 - HN THR 95 7.692% * 5.5150% (0.52 0.45 0.02) = 5.515% kept HA PRO 52 - HN THR 95 7.692% * 5.3601% (0.80 0.29 0.02) = 5.360% kept HA GLU- 75 - HN THR 95 7.692% * 3.2425% (0.99 0.14 0.02) = 3.242% kept HA GLU- 56 - HN THR 95 7.692% * 0.4173% (0.89 0.02 0.02) = 0.417% HA2 GLY 114 - HN THR 95 7.692% * 0.3726% (0.80 0.02 0.02) = 0.373% HA THR 106 - HN THR 95 7.692% * 0.1436% (0.31 0.02 0.02) = 0.144% HA LEU 90 - HN THR 95 7.692% * 0.0921% (0.20 0.02 0.02) = 0.092% 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): 6 chemical-shift based assignments, quality = 0.992, support = 2.96, residual support = 11.6: * O HB THR 95 - HN THR 95 16.667% * 98.2672% (1.00 10.0 3.01 11.85) = 98.267% kept HB3 SER 77 - HN THR 95 16.667% * 1.4430% (0.98 1.0 0.30 0.02) = 1.443% kept HA1 GLY 92 - HN THR 95 16.667% * 0.0983% (1.00 1.0 0.02 0.02) = 0.098% HA LYS+ 44 - HN THR 95 16.667% * 0.0983% (0.99 1.0 0.02 0.02) = 0.098% HB THR 39 - HN THR 95 16.667% * 0.0714% (0.72 1.0 0.02 0.02) = 0.071% HA ALA 93 - HN THR 95 16.667% * 0.0219% (0.22 1.0 0.02 0.02) = 0.022% Peak 94 (0.67, 8.78, 126.61 ppm): 4 chemical-shift based assignments, quality = 0.41, support = 3.13, residual support = 4.09: * QG2 VAL 94 - HN THR 95 25.000% * 43.0813% (0.41 3.91 6.17) = 43.081% kept HG12 ILE 19 - HN THR 95 25.000% * 27.7870% (0.45 2.31 2.60) = 27.787% kept QD1 ILE 19 - HN THR 95 25.000% * 27.1622% (0.34 2.97 2.60) = 27.162% kept QG1 VAL 62 - HN THR 95 25.000% * 1.9695% (0.92 0.08 0.02) = 1.970% kept Peak 95 (1.07, 8.78, 126.61 ppm): 3 chemical-shift based assignments, quality = 0.724, support = 2.73, residual support = 7.58: * QG2 THR 95 - HN THR 95 33.333% * 62.5620% (0.60 3.60 11.85) = 62.562% kept HG LEU 74 - HN THR 95 33.333% * 36.1010% (0.95 1.31 0.46) = 36.101% kept QG2 THR 79 - HN THR 95 33.333% * 1.3370% (0.15 0.30 0.02) = 1.337% kept Peak 96 (4.86, 8.78, 126.61 ppm): 3 chemical-shift based assignments, quality = 0.817, support = 3.17, residual support = 14.1: HA THR 96 - HN THR 95 33.333% * 82.7778% (0.83 3.66 16.50) = 82.778% kept HA ILE 19 - HN THR 95 33.333% * 16.9376% (0.76 0.82 2.60) = 16.938% kept HA SER 69 - HN THR 95 33.333% * 0.2847% (0.52 0.02 0.02) = 0.285% Reference assignment not found: HA THR 95 - HN THR 95 Peak 97 (4.40, 8.78, 126.61 ppm): 10 chemical-shift based assignments, quality = 0.982, support = 3.58, residual support = 11.8: O HA THR 95 - HN THR 95 10.000% * 99.5895% (0.99 10.0 3.59 11.85) = 99.590% kept HA SER 88 - HN THR 95 10.000% * 0.0928% (0.92 1.0 0.02 0.02) = 0.093% HA THR 24 - HN THR 95 10.000% * 0.0650% (0.64 1.0 0.02 0.02) = 0.065% HA TRP 51 - HN THR 95 10.000% * 0.0609% (0.60 1.0 0.02 0.02) = 0.061% HA LYS+ 66 - HN THR 95 10.000% * 0.0377% (0.37 1.0 0.02 0.27) = 0.038% HA ASN 57 - HN THR 95 10.000% * 0.0377% (0.37 1.0 0.02 0.02) = 0.038% HA ALA 37 - HN THR 95 10.000% * 0.0343% (0.34 1.0 0.02 0.02) = 0.034% HA CYS 121 - HN THR 95 10.000% * 0.0343% (0.34 1.0 0.02 0.02) = 0.034% HA LYS+ 60 - HN THR 95 10.000% * 0.0279% (0.28 1.0 0.02 0.02) = 0.028% HA THR 38 - HN THR 95 10.000% * 0.0199% (0.20 1.0 0.02 0.02) = 0.020% Reference assignment not found: HA VAL 73 - HN THR 95 Peak 98 (1.84, 8.78, 126.61 ppm): 8 chemical-shift based assignments, quality = 0.852, support = 1.69, residual support = 1.51: HB3 LYS+ 72 - HN THR 95 12.500% * 31.5285% (0.83 2.58 0.57) = 31.529% kept HB2 PRO 59 - HN THR 95 12.500% * 19.8024% (0.80 1.69 1.27) = 19.802% kept HB3 PRO 59 - HN THR 95 12.500% * 18.0369% (0.94 1.30 1.27) = 18.037% kept HB2 PRO 104 - HN THR 95 12.500% * 15.6622% (0.80 1.34 5.19) = 15.662% kept HB2 LYS+ 66 - HN THR 95 12.500% * 11.3940% (0.99 0.78 0.27) = 11.394% kept HG3 PRO 112 - HN THR 95 12.500% * 2.3326% (0.94 0.17 0.02) = 2.333% kept HD3 LYS+ 72 - HN THR 95 12.500% * 1.1437% (0.20 0.40 0.57) = 1.144% kept HD3 LYS+ 117 - HN THR 95 12.500% * 0.0997% (0.34 0.02 0.02) = 0.100% Peak 99 (4.05, 8.35, 126.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 100 (0.86, 8.35, 126.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 101 (8.33, 8.35, 126.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 102 (7.86, 7.85, 126.70 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 104 (4.06, 8.31, 126.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 105 (8.30, 8.31, 126.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 106 (1.78, 8.31, 126.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 107 (0.84, 8.31, 126.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 108 (4.37, 8.28, 126.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 109 (1.39, 8.28, 126.25 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 110 (4.12, 8.47, 126.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 111 (8.47, 8.47, 126.06 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 112 (7.76, 7.75, 125.98 ppm): 2 diagonal assignments: * HN VAL 125 - HN VAL 125 (0.81) kept HN SER 124 - HN SER 124 (0.79) kept Peak 113 (3.88, 7.75, 125.98 ppm): 22 chemical-shift based assignments, quality = 0.828, support = 0.956, residual support = 1.7: * O HA VAL 125 - HN VAL 125 4.545% * 94.8261% (0.85 10.0 1.00 1.79) = 94.826% kept HA VAL 125 - HN SER 124 4.545% * 2.1393% (0.81 1.0 0.24 0.02) = 2.139% kept HA ILE 48 - HN VAL 125 4.545% * 1.0418% (0.32 1.0 0.29 0.02) = 1.042% kept HD2 PRO 116 - HN VAL 125 4.545% * 0.1880% (0.84 1.0 0.02 0.02) = 0.188% HD2 PRO 86 - HN VAL 125 4.545% * 0.1830% (0.82 1.0 0.02 0.02) = 0.183% HD2 PRO 116 - HN SER 124 4.545% * 0.1788% (0.80 1.0 0.02 0.02) = 0.179% HD2 PRO 86 - HN SER 124 4.545% * 0.1741% (0.78 1.0 0.02 0.02) = 0.174% HB2 SER 85 - HN VAL 125 4.545% * 0.1701% (0.76 1.0 0.02 0.02) = 0.170% HB2 SER 85 - HN SER 124 4.545% * 0.1618% (0.73 1.0 0.02 0.02) = 0.162% HA LYS+ 44 - HN VAL 125 4.545% * 0.1350% (0.61 1.0 0.02 0.02) = 0.135% HA LYS+ 44 - HN SER 124 4.545% * 0.1284% (0.58 1.0 0.02 0.02) = 0.128% HA VAL 87 - HN VAL 125 4.545% * 0.1150% (0.52 1.0 0.02 0.02) = 0.115% HA VAL 87 - HN SER 124 4.545% * 0.1094% (0.49 1.0 0.02 0.02) = 0.109% HB3 SER 88 - HN VAL 125 4.545% * 0.0923% (0.41 1.0 0.02 0.02) = 0.092% HB3 SER 88 - HN SER 124 4.545% * 0.0878% (0.39 1.0 0.02 0.02) = 0.088% HA ILE 48 - HN SER 124 4.545% * 0.0683% (0.31 1.0 0.02 0.02) = 0.068% HB3 SER 77 - HN VAL 125 4.545% * 0.0444% (0.20 1.0 0.02 0.02) = 0.044% HB3 SER 77 - HN SER 124 4.545% * 0.0422% (0.19 1.0 0.02 0.02) = 0.042% HB2 SER 77 - HN VAL 125 4.545% * 0.0293% (0.13 1.0 0.02 0.02) = 0.029% HD3 PRO 86 - HN VAL 125 4.545% * 0.0293% (0.13 1.0 0.02 0.02) = 0.029% HD3 PRO 86 - HN SER 124 4.545% * 0.0278% (0.12 1.0 0.02 0.02) = 0.028% HB2 SER 77 - HN SER 124 4.545% * 0.0278% (0.12 1.0 0.02 0.02) = 0.028% Peak 114 (8.36, 8.38, 125.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 115 (0.83, 8.38, 125.77 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 116 (7.75, 7.77, 125.85 ppm): 2 diagonal assignments: * HN VAL 125 - HN VAL 125 (0.66) kept HN SER 124 - HN SER 124 (0.64) kept Peak 117 (4.48, 7.77, 125.85 ppm): 20 chemical-shift based assignments, quality = 0.652, support = 0.964, residual support = 0.92: * O HA CYS 123 - HN SER 124 5.000% * 95.9168% (0.67 10.0 1.00 0.96) = 95.917% kept HA CYS 123 - HN VAL 125 5.000% * 2.1531% (0.63 1.0 0.24 0.02) = 2.153% kept HA ASN 76 - HN SER 124 5.000% * 0.2266% (0.79 1.0 0.02 0.02) = 0.227% HA ASN 76 - HN VAL 125 5.000% * 0.2145% (0.74 1.0 0.02 0.02) = 0.214% HA SER 77 - HN SER 124 5.000% * 0.1646% (0.57 1.0 0.02 0.02) = 0.165% HA SER 77 - HN VAL 125 5.000% * 0.1558% (0.54 1.0 0.02 0.02) = 0.156% HA LYS+ 32 - HN SER 124 5.000% * 0.1260% (0.44 1.0 0.02 0.02) = 0.126% HA LYS+ 32 - HN VAL 125 5.000% * 0.1193% (0.41 1.0 0.02 0.02) = 0.119% HA PRO 86 - HN SER 124 5.000% * 0.1074% (0.37 1.0 0.02 0.02) = 0.107% HA PRO 86 - HN VAL 125 5.000% * 0.1017% (0.35 1.0 0.02 0.02) = 0.102% HA ILE 100 - HN SER 124 5.000% * 0.0899% (0.31 1.0 0.02 0.02) = 0.090% HA ILE 100 - HN VAL 125 5.000% * 0.0851% (0.30 1.0 0.02 0.02) = 0.085% HA ILE 101 - HN SER 124 5.000% * 0.0817% (0.28 1.0 0.02 0.02) = 0.082% HA ILE 101 - HN VAL 125 5.000% * 0.0773% (0.27 1.0 0.02 0.02) = 0.077% HB THR 46 - HN SER 124 5.000% * 0.0739% (0.26 1.0 0.02 0.02) = 0.074% HA LYS+ 55 - HN SER 124 5.000% * 0.0739% (0.26 1.0 0.02 0.02) = 0.074% HB THR 46 - HN VAL 125 5.000% * 0.0700% (0.24 1.0 0.02 0.02) = 0.070% HA LYS+ 55 - HN VAL 125 5.000% * 0.0700% (0.24 1.0 0.02 0.02) = 0.070% HA GLU- 50 - HN SER 124 5.000% * 0.0474% (0.16 1.0 0.02 0.02) = 0.047% HA GLU- 50 - HN VAL 125 5.000% * 0.0449% (0.16 1.0 0.02 0.02) = 0.045% Peak 118 (0.84, 8.30, 125.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 119 (1.57, 8.30, 125.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 120 (4.10, 8.35, 125.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 121 (8.33, 8.35, 125.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 122 (1.69, 8.35, 125.55 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 123 (8.59, 8.60, 125.48 ppm): 1 diagonal assignment: * HN LYS+ 20 - HN LYS+ 20 (0.90) kept Peak 124 (4.88, 8.60, 125.48 ppm): 3 chemical-shift based assignments, quality = 0.975, support = 3.63, residual support = 20.9: * O HA ILE 19 - HN LYS+ 20 33.333% * 95.9942% (1.00 10.0 3.70 21.67) = 95.994% kept HA THR 96 - HN LYS+ 20 33.333% * 3.9172% (0.41 1.0 1.99 3.17) = 3.917% kept HA SER 69 - HN LYS+ 20 33.333% * 0.0886% (0.92 1.0 0.02 0.02) = 0.089% Peak 125 (0.00, 8.60, 125.48 ppm): 1 chemical-shift based assignment, quality = 0.999, support = 4.32, residual support = 21.7: * QG2 ILE 19 - HN LYS+ 20 100.000% *100.0000% (1.00 4.32 21.67) = 100.000% kept Peak 126 (0.67, 8.60, 125.48 ppm): 6 chemical-shift based assignments, quality = 0.625, support = 3.97, residual support = 17.5: HG12 ILE 19 - HN LYS+ 20 16.667% * 41.6591% (0.65 4.49 21.67) = 41.659% kept * QD1 ILE 19 - HN LYS+ 20 16.667% * 37.6630% (0.53 4.99 21.67) = 37.663% kept QG2 VAL 94 - HN LYS+ 20 16.667% * 12.0652% (0.61 1.39 2.57) = 12.065% kept QG1 VAL 62 - HN LYS+ 20 16.667% * 8.5297% (1.00 0.60 0.15) = 8.530% kept HG LEU 67 - HN LYS+ 20 16.667% * 0.0443% (0.15 0.02 0.02) = 0.044% HG2 PRO 59 - HN LYS+ 20 16.667% * 0.0388% (0.14 0.02 0.18) = 0.039% Peak 127 (1.35, 8.60, 125.48 ppm): 8 chemical-shift based assignments, quality = 0.803, support = 4.31, residual support = 31.6: * O HB3 LYS+ 20 - HN LYS+ 20 12.500% * 71.4940% (0.76 10.0 4.34 37.06) = 71.494% kept HG13 ILE 19 - HN LYS+ 20 12.500% * 23.2950% (0.98 1.0 5.08 21.67) = 23.295% kept HG3 ARG+ 22 - HN LYS+ 20 12.500% * 2.0529% (0.96 1.0 0.45 1.14) = 2.053% kept HG LEU 74 - HN LYS+ 20 12.500% * 1.7045% (0.56 1.0 0.65 0.02) = 1.704% kept QB ALA 91 - HN LYS+ 20 12.500% * 0.9254% (0.83 1.0 0.24 0.02) = 0.925% HB2 LEU 17 - HN LYS+ 20 12.500% * 0.4722% (0.76 1.0 0.13 0.02) = 0.472% HG2 LYS+ 78 - HN LYS+ 20 12.500% * 0.0351% (0.37 1.0 0.02 0.02) = 0.035% QG2 THR 39 - HN LYS+ 20 12.500% * 0.0208% (0.22 1.0 0.02 0.02) = 0.021% Peak 128 (4.83, 8.60, 125.48 ppm): 3 chemical-shift based assignments, quality = 0.83, support = 1.76, residual support = 7.37: * HA MET 97 - HN LYS+ 20 33.333% * 78.7257% (0.96 1.86 8.82) = 78.726% kept HA THR 96 - HN LYS+ 20 33.333% * 13.4053% (0.15 1.99 3.17) = 13.405% kept HA GLU- 107 - HN LYS+ 20 33.333% * 7.8690% (0.65 0.28 0.02) = 7.869% kept Peak 129 (1.02, 8.60, 125.48 ppm): 4 chemical-shift based assignments, quality = 0.635, support = 3.01, residual support = 25.7: HG3 LYS+ 20 - HN LYS+ 20 25.000% * 69.2249% (0.53 4.11 37.06) = 69.225% kept HG LEU 74 - HN LYS+ 20 25.000% * 18.1754% (0.87 0.65 0.02) = 18.175% kept QG1 VAL 99 - HN LYS+ 20 25.000% * 11.9601% (0.94 0.39 0.11) = 11.960% kept HG13 ILE 100 - HN LYS+ 20 25.000% * 0.6396% (1.00 0.02 0.02) = 0.640% Peak 130 (4.65, 8.60, 125.48 ppm): 4 chemical-shift based assignments, quality = 0.997, support = 2.69, residual support = 37.0: * O HA LYS+ 20 - HN LYS+ 20 25.000% * 99.8059% (1.00 10.0 2.70 37.06) = 99.806% kept HA LYS+ 120 - HN LYS+ 20 25.000% * 0.0834% (0.83 1.0 0.02 0.02) = 0.083% HA ASP- 36 - HN LYS+ 20 25.000% * 0.0799% (0.80 1.0 0.02 0.02) = 0.080% HA TYR 83 - HN LYS+ 20 25.000% * 0.0308% (0.31 1.0 0.02 0.02) = 0.031% 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 = 0.923, support = 1.61, residual support = 6.24: * O HA PHE 21 - HN ARG+ 22 100.000% *100.0000% (0.92 10.0 1.61 6.24) = 100.000% kept Peak 134 (1.20, 8.94, 125.29 ppm): 2 chemical-shift based assignments, quality = 0.697, support = 1.42, residual support = 1.92: HB ILE 68 - HN ARG+ 22 50.000% * 64.6793% (0.57 1.86 2.09) = 64.679% kept HG LEU 74 - HN ARG+ 22 50.000% * 35.3207% (0.94 0.61 1.63) = 35.321% kept Peak 135 (0.94, 8.94, 125.29 ppm): 10 chemical-shift based assignments, quality = 0.833, support = 1.79, residual support = 4.38: QG2 ILE 29 - HN ARG+ 22 10.000% * 33.0109% (0.80 2.51 6.12) = 33.011% kept HG12 ILE 29 - HN ARG+ 22 10.000% * 30.9571% (0.90 2.10 6.12) = 30.957% kept HG12 ILE 68 - HN ARG+ 22 10.000% * 16.4951% (0.80 1.26 2.09) = 16.495% kept QD1 LEU 17 - HN ARG+ 22 10.000% * 9.3831% (0.99 0.58 0.10) = 9.383% kept HG LEU 74 - HN ARG+ 22 10.000% * 6.6762% (0.66 0.61 1.63) = 6.676% kept QG2 VAL 73 - HN ARG+ 22 10.000% * 1.5825% (0.57 0.17 0.02) = 1.583% kept QG1 VAL 105 - HN ARG+ 22 10.000% * 1.2381% (1.00 0.08 0.02) = 1.238% kept QG2 VAL 62 - HN ARG+ 22 10.000% * 0.2846% (0.87 0.02 0.02) = 0.285% HG3 LYS+ 63 - HN ARG+ 22 10.000% * 0.2254% (0.69 0.02 0.02) = 0.225% QG2 VAL 99 - HN ARG+ 22 10.000% * 0.1471% (0.45 0.02 2.11) = 0.147% Peak 136 (0.72, 8.94, 125.29 ppm): 8 chemical-shift based assignments, quality = 0.766, support = 0.778, residual support = 1.68: QD1 ILE 68 - HN ARG+ 22 12.500% * 73.5326% (0.92 0.90 2.09) = 73.533% kept HG LEU 67 - HN ARG+ 22 12.500% * 12.0741% (0.28 0.49 0.02) = 12.074% kept HG LEU 74 - HN ARG+ 22 12.500% * 8.6659% (0.16 0.61 1.63) = 8.666% kept QG2 VAL 40 - HN ARG+ 22 12.500% * 1.7635% (1.00 0.02 0.02) = 1.763% kept QG2 ILE 48 - HN ARG+ 22 12.500% * 1.2805% (0.73 0.02 0.02) = 1.281% kept QG2 ILE 101 - HN ARG+ 22 12.500% * 1.0696% (0.61 0.02 0.02) = 1.070% kept HG3 LYS+ 66 - HN ARG+ 22 12.500% * 1.0696% (0.61 0.02 0.02) = 1.070% kept HG2 PRO 59 - HN ARG+ 22 12.500% * 0.5443% (0.31 0.02 0.02) = 0.544% Peak 137 (5.14, 8.94, 125.29 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 2.24, residual support = 5.44: * O HA ARG+ 22 - HN ARG+ 22 100.000% *100.0000% (0.61 10.0 2.24 5.44) = 100.000% kept Peak 138 (8.29, 8.94, 125.29 ppm): 4 chemical-shift based assignments, quality = 0.79, support = 0.64, residual support = 0.8: HN ASP- 28 - HN ARG+ 22 25.000% * 70.3114% (1.00 0.56 0.36) = 70.311% kept HN VAL 99 - HN ARG+ 22 25.000% * 25.8869% (0.22 0.93 2.11) = 25.887% kept HN ASN 89 - HN ARG+ 22 25.000% * 1.9937% (0.80 0.02 0.02) = 1.994% kept HN ALA 91 - HN ARG+ 22 25.000% * 1.8080% (0.73 0.02 0.02) = 1.808% kept Peak 139 (1.67, 8.94, 125.29 ppm): 5 chemical-shift based assignments, quality = 0.571, support = 2.4, residual support = 4.82: * O HB3 ARG+ 22 - HN ARG+ 22 20.000% * 88.6232% (0.53 10.0 2.61 5.44) = 88.623% kept HB3 MET 126 - HN ARG+ 22 20.000% * 7.9937% (0.98 1.0 0.97 0.02) = 7.994% kept HG3 ARG+ 84 - HN ARG+ 22 20.000% * 3.1923% (0.84 1.0 0.45 0.02) = 3.192% kept HB3 MET 97 - HN ARG+ 22 20.000% * 0.1022% (0.61 1.0 0.02 0.02) = 0.102% HD3 LYS+ 55 - HN ARG+ 22 20.000% * 0.0886% (0.53 1.0 0.02 0.02) = 0.089% Peak 140 (1.34, 8.94, 125.29 ppm): 7 chemical-shift based assignments, quality = 0.524, support = 1.63, residual support = 2.64: * HG3 ARG+ 22 - HN ARG+ 22 14.286% * 41.2897% (0.45 2.71 5.44) = 41.290% kept HB2 LEU 17 - HN ARG+ 22 14.286% * 17.0989% (0.97 0.52 0.10) = 17.099% kept HB3 LYS+ 20 - HN ARG+ 22 14.286% * 13.7059% (0.22 1.81 1.14) = 13.706% kept HG LEU 74 - HN ARG+ 22 14.286% * 12.6317% (0.61 0.61 1.63) = 12.632% kept HG13 ILE 19 - HN ARG+ 22 14.286% * 11.9534% (0.49 0.72 0.13) = 11.953% kept QB ALA 91 - HN ARG+ 22 14.286% * 3.1315% (0.28 0.33 0.02) = 3.131% kept QB ALA 103 - HN ARG+ 22 14.286% * 0.1890% (0.28 0.02 0.02) = 0.189% Peak 141 (1.13, 8.19, 125.39 ppm): 7 chemical-shift based assignments, quality = 0.992, support = 3.26, residual support = 8.55: * O QB ALA 33 - HN ALA 33 14.286% * 75.1060% (1.00 10.0 2.97 7.56) = 75.106% kept HG3 LYS+ 32 - HN ALA 33 14.286% * 19.0402% (1.00 1.0 5.07 14.53) = 19.040% kept HG LEU 74 - HN ALA 33 14.286% * 4.5802% (1.00 1.0 1.22 1.91) = 4.580% kept QG2 THR 96 - HN ALA 33 14.286% * 1.1746% (0.65 1.0 0.48 1.39) = 1.175% kept HD3 LYS+ 111 - HN ALA 33 14.286% * 0.0726% (0.96 1.0 0.02 0.02) = 0.073% HG3 PRO 59 - HN ALA 33 14.286% * 0.0132% (0.17 1.0 0.02 0.02) = 0.013% QG2 THR 61 - HN ALA 33 14.286% * 0.0132% (0.17 1.0 0.02 0.02) = 0.013% Peak 142 (4.47, 8.19, 125.39 ppm): 9 chemical-shift based assignments, quality = 0.953, support = 3.56, residual support = 14.4: * O HA LYS+ 32 - HN ALA 33 11.111% * 98.8828% (0.96 10.0 3.60 14.53) = 98.883% kept HA ASN 76 - HN ALA 33 11.111% * 0.6776% (0.49 1.0 0.27 0.02) = 0.678% HA PRO 86 - HN ALA 33 11.111% * 0.0946% (0.92 1.0 0.02 0.02) = 0.095% HA ILE 100 - HN ALA 33 11.111% * 0.0889% (0.87 1.0 0.02 0.02) = 0.089% HA ILE 101 - HN ALA 33 11.111% * 0.0856% (0.83 1.0 0.02 0.13) = 0.086% HA GLU- 50 - HN ALA 33 11.111% * 0.0663% (0.65 1.0 0.02 0.02) = 0.066% HA VAL 99 - HN ALA 33 11.111% * 0.0499% (0.49 1.0 0.02 0.02) = 0.050% HA CYS 123 - HN ALA 33 11.111% * 0.0316% (0.31 1.0 0.02 0.22) = 0.032% HA SER 77 - HN ALA 33 11.111% * 0.0228% (0.22 1.0 0.02 0.02) = 0.023% Peak 143 (1.58, 8.19, 125.39 ppm): 10 chemical-shift based assignments, quality = 0.668, support = 3.45, residual support = 11.7: * HB3 LYS+ 32 - HN ALA 33 10.000% * 62.8106% (0.73 4.34 14.53) = 62.811% kept HD3 LYS+ 32 - HN ALA 33 10.000% * 17.9800% (0.25 3.62 14.53) = 17.980% kept HB ILE 19 - HN ALA 33 10.000% * 9.5969% (0.92 0.52 0.02) = 9.597% kept HG3 LYS+ 60 - HN ALA 33 10.000% * 5.4302% (0.94 0.29 0.11) = 5.430% kept HD3 LYS+ 60 - HN ALA 33 10.000% * 3.3796% (0.83 0.20 0.11) = 3.380% kept HG LEU 17 - HN ALA 33 10.000% * 0.3573% (0.90 0.02 0.02) = 0.357% HB3 LEU 90 - HN ALA 33 10.000% * 0.1638% (0.41 0.02 0.02) = 0.164% HG13 ILE 29 - HN ALA 33 10.000% * 0.1230% (0.31 0.02 0.02) = 0.123% QG2 THR 24 - HN ALA 33 10.000% * 0.0887% (0.22 0.02 0.02) = 0.089% HB3 LEU 17 - HN ALA 33 10.000% * 0.0698% (0.17 0.02 0.02) = 0.070% Peak 144 (8.19, 8.19, 125.39 ppm): 1 diagonal assignment: * HN ALA 33 - HN ALA 33 (0.94) kept Peak 145 (4.92, 8.19, 125.39 ppm): 3 chemical-shift based assignments, quality = 0.92, support = 2.6, residual support = 7.55: * O HA ALA 33 - HN ALA 33 33.333% * 99.7931% (0.92 10.0 2.60 7.56) = 99.793% kept HA HIS+ 98 - HN ALA 33 33.333% * 0.1071% (0.99 1.0 0.02 0.02) = 0.107% HA GLN 102 - HN ALA 33 33.333% * 0.0998% (0.92 1.0 0.02 1.51) = 0.100% Peak 146 (1.28, 8.19, 125.39 ppm): 5 chemical-shift based assignments, quality = 0.666, support = 3.05, residual support = 10.7: * HG2 LYS+ 32 - HN ALA 33 20.000% * 70.2363% (0.65 3.89 14.53) = 70.236% kept HG LEU 74 - HN ALA 33 20.000% * 25.8353% (0.76 1.22 1.91) = 25.835% kept QG2 THR 46 - HN ALA 33 20.000% * 2.9239% (0.57 0.18 0.02) = 2.924% kept HB3 LEU 74 - HN ALA 33 20.000% * 0.5573% (1.00 0.02 1.91) = 0.557% HB2 LYS+ 55 - HN ALA 33 20.000% * 0.4472% (0.80 0.02 0.02) = 0.447% Peak 147 (8.78, 8.19, 125.39 ppm): 4 chemical-shift based assignments, quality = 0.639, support = 2.71, residual support = 6.2: * HN PHE 34 - HN ALA 33 25.000% * 66.4565% (0.49 3.84 9.15) = 66.457% kept HN THR 95 - HN ALA 33 25.000% * 19.4917% (1.00 0.55 0.53) = 19.492% kept HN SER 69 - HN ALA 33 25.000% * 13.2004% (0.92 0.40 0.13) = 13.200% kept HN VAL 62 - HN ALA 33 25.000% * 0.8514% (0.31 0.08 0.02) = 0.851% Peak 153 (4.27, 8.29, 124.59 ppm): 14 chemical-shift based assignments, quality = 0.767, support = 2.65, residual support = 8.09: O HA ALA 91 - HN ALA 91 7.143% * 63.5360% (0.91 10.0 2.33 6.92) = 63.536% kept * O HA LEU 90 - HN ALA 91 7.143% * 35.9712% (0.52 10.0 3.25 10.26) = 35.971% kept HA SER 85 - HN ALA 91 7.143% * 0.0634% (0.91 1.0 0.02 0.02) = 0.063% HD3 PRO 59 - HN ALA 91 7.143% * 0.0634% (0.91 1.0 0.02 0.02) = 0.063% HA PRO 52 - HN ALA 91 7.143% * 0.0634% (0.91 1.0 0.02 0.02) = 0.063% HA VAL 65 - HN ALA 91 7.143% * 0.0623% (0.90 1.0 0.02 0.02) = 0.062% HA ARG+ 84 - HN ALA 91 7.143% * 0.0613% (0.88 1.0 0.02 0.02) = 0.061% HA THR 106 - HN ALA 91 7.143% * 0.0461% (0.66 1.0 0.02 0.02) = 0.046% HA GLU- 75 - HN ALA 91 7.143% * 0.0461% (0.66 1.0 0.02 0.02) = 0.046% HA GLU- 56 - HN ALA 91 7.143% * 0.0309% (0.44 1.0 0.02 0.02) = 0.031% HA2 GLY 114 - HN ALA 91 7.143% * 0.0238% (0.34 1.0 0.02 0.02) = 0.024% HA LYS+ 108 - HN ALA 91 7.143% * 0.0111% (0.16 1.0 0.02 0.02) = 0.011% HA PRO 104 - HN ALA 91 7.143% * 0.0111% (0.16 1.0 0.02 0.02) = 0.011% HA PRO 59 - HN ALA 91 7.143% * 0.0098% (0.14 1.0 0.02 0.02) = 0.010% Peak 154 (1.37, 8.29, 124.59 ppm): 9 chemical-shift based assignments, quality = 0.85, support = 2.91, residual support = 6.8: * O QB ALA 91 - HN ALA 91 11.111% * 98.3014% (0.86 10.0 2.96 6.92) = 98.301% kept HG LEU 74 - HN ALA 91 11.111% * 0.7299% (0.48 1.0 0.27 0.02) = 0.730% HG3 ARG+ 22 - HN ALA 91 11.111% * 0.5747% (0.73 1.0 0.14 0.02) = 0.575% HB3 LYS+ 20 - HN ALA 91 11.111% * 0.1019% (0.90 1.0 0.02 0.02) = 0.102% HG2 LYS+ 78 - HN ALA 91 11.111% * 0.0932% (0.82 1.0 0.02 0.02) = 0.093% HG13 ILE 19 - HN ALA 91 11.111% * 0.0794% (0.70 1.0 0.02 0.02) = 0.079% QG2 THR 39 - HN ALA 91 11.111% * 0.0755% (0.66 1.0 0.02 0.02) = 0.075% HB2 LEU 17 - HN ALA 91 11.111% * 0.0259% (0.23 1.0 0.02 0.02) = 0.026% HD3 LYS+ 20 - HN ALA 91 11.111% * 0.0182% (0.16 1.0 0.02 0.02) = 0.018% Peak 155 (1.55, 8.29, 124.59 ppm): 9 chemical-shift based assignments, quality = 0.78, support = 2.62, residual support = 8.82: * HB3 LEU 90 - HN ALA 91 11.111% * 85.9429% (0.84 2.97 10.26) = 85.943% kept HG LEU 17 - HN ALA 91 11.111% * 9.6816% (0.41 0.69 0.02) = 9.682% kept HB3 LEU 23 - HN ALA 91 11.111% * 2.0066% (0.76 0.08 0.02) = 2.007% kept QG2 THR 24 - HN ALA 91 11.111% * 0.6268% (0.91 0.02 0.02) = 0.627% HG13 ILE 29 - HN ALA 91 11.111% * 0.6144% (0.90 0.02 0.02) = 0.614% HD3 LYS+ 60 - HN ALA 91 11.111% * 0.3298% (0.48 0.02 0.02) = 0.330% QG2 VAL 80 - HN ALA 91 11.111% * 0.3051% (0.44 0.02 0.02) = 0.305% HB ILE 19 - HN ALA 91 11.111% * 0.2577% (0.38 0.02 0.02) = 0.258% HG3 LYS+ 60 - HN ALA 91 11.111% * 0.2352% (0.34 0.02 0.02) = 0.235% Peak 156 (0.84, 8.29, 124.59 ppm): 12 chemical-shift based assignments, quality = 0.549, support = 1.52, residual support = 4.23: HG2 LYS+ 117 - HN ALA 91 8.333% * 30.4959% (0.88 1.14 0.32) = 30.496% kept * QD1 LEU 90 - HN ALA 91 8.333% * 23.9660% (0.31 2.54 10.26) = 23.966% kept HG3 LYS+ 117 - HN ALA 91 8.333% * 16.7794% (0.79 0.70 0.32) = 16.779% kept QD2 LEU 90 - HN ALA 91 8.333% * 14.5930% (0.18 2.67 10.26) = 14.593% kept QG1 VAL 94 - HN ALA 91 8.333% * 5.3851% (0.44 0.40 2.34) = 5.385% kept QD2 LEU 17 - HN ALA 91 8.333% * 4.2305% (0.25 0.55 0.02) = 4.231% kept HG LEU 74 - HN ALA 91 8.333% * 2.9767% (0.37 0.27 0.02) = 2.977% kept QD1 ILE 29 - HN ALA 91 8.333% * 0.4799% (0.79 0.02 0.02) = 0.480% HB ILE 101 - HN ALA 91 8.333% * 0.4018% (0.66 0.02 0.02) = 0.402% HG2 LYS+ 113 - HN ALA 91 8.333% * 0.3133% (0.52 0.02 0.02) = 0.313% HG3 LYS+ 113 - HN ALA 91 8.333% * 0.2077% (0.34 0.02 0.02) = 0.208% QG2 ILE 100 - HN ALA 91 8.333% * 0.1708% (0.28 0.02 0.02) = 0.171% Peak 157 (8.24, 8.24, 124.61 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 158 (2.06, 8.24, 124.61 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 161 (4.79, 8.97, 124.78 ppm): 4 chemical-shift based assignments, quality = 0.298, support = 0.487, residual support = 0.738: HA ASP- 115 - HN THR 96 25.000% * 59.1000% (0.27 0.63 0.69) = 59.100% kept HA PRO 116 - HN THR 96 25.000% * 36.6995% (0.34 0.31 0.90) = 36.700% kept HA LYS+ 113 - HN THR 96 25.000% * 2.9280% (0.42 0.02 0.02) = 2.928% kept HA GLU- 107 - HN THR 96 25.000% * 1.2725% (0.18 0.02 0.02) = 1.272% kept Peak 162 (1.57, 8.97, 124.78 ppm): 9 chemical-shift based assignments, quality = 0.428, support = 2.92, residual support = 15.5: HB ILE 19 - HN THR 96 11.111% * 66.8625% (0.44 4.11 23.07) = 66.862% kept HD3 LYS+ 60 - HN THR 96 11.111% * 10.4383% (0.44 0.64 0.23) = 10.438% kept HG LEU 17 - HN THR 96 11.111% * 9.9991% (0.44 0.61 0.61) = 9.999% kept HG3 LYS+ 60 - HN THR 96 11.111% * 6.2185% (0.43 0.39 0.23) = 6.218% kept HG13 ILE 29 - HN THR 96 11.111% * 2.7733% (0.27 0.28 0.02) = 2.773% kept HB3 LEU 90 - HN THR 96 11.111% * 2.4718% (0.32 0.21 0.02) = 2.472% kept HB3 LYS+ 32 - HN THR 96 11.111% * 1.0119% (0.18 0.15 0.02) = 1.012% kept QG2 THR 24 - HN THR 96 11.111% * 0.1596% (0.22 0.02 0.02) = 0.160% HB3 LEU 23 - HN THR 96 11.111% * 0.0649% (0.09 0.02 0.02) = 0.065% Peak 163 (4.88, 8.97, 124.78 ppm): 3 chemical-shift based assignments, quality = 0.277, support = 4.1, residual support = 18.2: O HA THR 96 - HN THR 96 33.333% * 63.4272% (0.18 10.0 3.75 15.38) = 63.427% kept HA ILE 19 - HN THR 96 33.333% * 36.4304% (0.44 1.0 4.72 23.07) = 36.430% kept HA SER 69 - HN THR 96 33.333% * 0.1424% (0.41 1.0 0.02 0.02) = 0.142% Reference assignment not found: HA THR 95 - HN THR 96 Peak 164 (8.97, 8.97, 124.78 ppm): 1 diagonal assignment: HN THR 96 - HN THR 96 (0.08) kept Peak 165 (0.89, 8.97, 124.78 ppm): 15 chemical-shift based assignments, quality = 0.314, support = 0.454, residual support = 0.265: HG LEU 74 - HN THR 96 6.667% * 27.5399% (0.24 0.97 0.91) = 27.540% kept QG1 VAL 80 - HN THR 96 6.667% * 22.4072% (0.44 0.42 0.02) = 22.407% kept QG2 VAL 47 - HN THR 96 6.667% * 10.6971% (0.37 0.24 0.02) = 10.697% kept QG2 VAL 105 - HN THR 96 6.667% * 8.8571% (0.37 0.20 0.02) = 8.857% kept QD1 LEU 67 - HN THR 96 6.667% * 7.7005% (0.32 0.20 0.02) = 7.700% kept QG2 VAL 87 - HN THR 96 6.667% * 7.2023% (0.30 0.20 0.02) = 7.202% kept QG2 VAL 125 - HN THR 96 6.667% * 3.5574% (0.35 0.08 0.02) = 3.557% kept HG13 ILE 68 - HN THR 96 6.667% * 3.4910% (0.29 0.10 0.02) = 3.491% kept QG2 ILE 100 - HN THR 96 6.667% * 3.0501% (0.10 0.26 0.02) = 3.050% kept QG2 VAL 73 - HN THR 96 6.667% * 1.5280% (0.07 0.19 0.02) = 1.528% kept QG1 VAL 122 - HN THR 96 6.667% * 1.0034% (0.42 0.02 0.02) = 1.003% kept QG1 VAL 47 - HN THR 96 6.667% * 0.8493% (0.35 0.02 0.02) = 0.849% QG1 VAL 40 - HN THR 96 6.667% * 0.8106% (0.34 0.02 0.02) = 0.811% QD1 LEU 90 - HN THR 96 6.667% * 0.7897% (0.09 0.08 0.02) = 0.790% QG2 VAL 122 - HN THR 96 6.667% * 0.5163% (0.22 0.02 0.02) = 0.516% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 166 (1.12, 8.97, 124.78 ppm): 7 chemical-shift based assignments, quality = 0.389, support = 2.25, residual support = 8.48: * QG2 THR 96 - HN THR 96 14.286% * 50.1792% (0.44 3.20 15.38) = 50.179% kept QG2 THR 61 - HN THR 96 14.286% * 16.7827% (0.29 1.65 2.44) = 16.783% kept HG LEU 74 - HN THR 96 14.286% * 15.2624% (0.44 0.97 0.91) = 15.262% kept QB ALA 33 - HN THR 96 14.286% * 15.2161% (0.30 1.41 1.39) = 15.216% kept HG3 LYS+ 32 - HN THR 96 14.286% * 1.6178% (0.30 0.15 0.02) = 1.618% kept QG2 THR 79 - HN THR 96 14.286% * 0.6905% (0.11 0.18 0.02) = 0.690% HD3 LYS+ 111 - HN THR 96 14.286% * 0.2513% (0.35 0.02 0.02) = 0.251% Peak 167 (0.67, 8.97, 124.78 ppm): 4 chemical-shift based assignments, quality = 0.222, support = 5.33, residual support = 17.5: HG12 ILE 19 - HN THR 96 25.000% * 37.3590% (0.22 6.42 23.07) = 37.359% kept QD1 ILE 19 - HN THR 96 25.000% * 30.2667% (0.17 6.75 23.07) = 30.267% kept * QG2 VAL 94 - HN THR 96 25.000% * 20.1589% (0.20 3.76 8.78) = 20.159% kept QG1 VAL 62 - HN THR 96 25.000% * 12.2154% (0.42 1.08 0.71) = 12.215% kept Peak 168 (2.02, 8.97, 124.78 ppm): 15 chemical-shift based assignments, quality = 0.366, support = 1.96, residual support = 4.23: HB2 GLU- 18 - HN THR 96 6.667% * 66.3114% (0.41 2.66 5.98) = 66.311% kept HG2 PRO 116 - HN THR 96 6.667% * 18.6320% (0.44 0.69 0.90) = 18.632% kept HG3 PRO 86 - HN THR 96 6.667% * 4.3938% (0.10 0.73 1.50) = 4.394% kept HB VAL 62 - HN THR 96 6.667% * 4.3142% (0.10 0.72 0.71) = 4.314% kept HB3 GLU- 75 - HN THR 96 6.667% * 1.9618% (0.17 0.19 0.02) = 1.962% kept HB3 PRO 112 - HN THR 96 6.667% * 0.5388% (0.44 0.02 0.02) = 0.539% HB2 PRO 112 - HN THR 96 6.667% * 0.5293% (0.43 0.02 0.02) = 0.529% HG2 GLU- 64 - HN THR 96 6.667% * 0.5211% (0.43 0.02 0.02) = 0.521% HB3 PRO 31 - HN THR 96 6.667% * 0.4984% (0.41 0.02 0.02) = 0.498% HB2 LYS+ 44 - HN THR 96 6.667% * 0.4984% (0.41 0.02 0.02) = 0.498% HB VAL 105 - HN THR 96 6.667% * 0.4684% (0.38 0.02 0.02) = 0.468% HG2 PRO 86 - HN THR 96 6.667% * 0.4127% (0.34 0.02 1.50) = 0.413% HB3 GLU- 45 - HN THR 96 6.667% * 0.3921% (0.32 0.02 0.02) = 0.392% HB3 GLU- 107 - HN THR 96 6.667% * 0.3057% (0.25 0.02 0.02) = 0.306% HB3 LYS+ 110 - HN THR 96 6.667% * 0.2220% (0.18 0.02 0.02) = 0.222% 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 = 0.981, support = 2.22, residual support = 4.25: * HD2 PRO 52 - HN TRP 51 25.000% * 50.7414% (1.00 2.97 6.78) = 50.741% kept HA ILE 48 - HN TRP 51 25.000% * 31.9342% (0.99 1.87 2.35) = 31.934% kept HA LYS+ 81 - HN TRP 51 25.000% * 12.6572% (0.94 0.78 0.41) = 12.657% kept HA SER 27 - HN TRP 51 25.000% * 4.6671% (0.83 0.33 0.02) = 4.667% kept Peak 171 (3.02, 7.21, 124.79 ppm): 2 chemical-shift based assignments, quality = 0.986, support = 4.22, residual support = 55.3: * O HB2 TRP 51 - HN TRP 51 50.000% * 98.4584% (1.00 10.0 4.28 56.12) = 98.458% kept HA1 GLY 58 - HN TRP 51 50.000% * 1.5416% (0.44 1.0 0.70 3.68) = 1.542% kept Peak 172 (8.33, 7.21, 124.79 ppm): 7 chemical-shift based assignments, quality = 0.957, support = 4.29, residual support = 13.0: * T HN GLU- 50 - HN TRP 51 14.286% * 99.6758% (0.96 10.00 4.31 13.00) = 99.676% kept HN GLY 114 - HN TRP 51 14.286% * 0.0896% (0.86 1.00 0.02 0.02) = 0.090% HN ASN 76 - HN TRP 51 14.286% * 0.0789% (0.76 1.00 0.02 0.02) = 0.079% HN GLU- 109 - HN TRP 51 14.286% * 0.0503% (0.48 1.00 0.02 0.02) = 0.050% HN ALA 103 - HN TRP 51 14.286% * 0.0425% (0.41 1.00 0.02 0.02) = 0.042% HN VAL 99 - HN TRP 51 14.286% * 0.0425% (0.41 1.00 0.02 0.02) = 0.042% HN LYS+ 108 - HN TRP 51 14.286% * 0.0204% (0.20 1.00 0.02 0.02) = 0.020% Peak 173 (4.38, 7.21, 124.79 ppm): 11 chemical-shift based assignments, quality = 0.987, support = 4.24, residual support = 55.6: * O HA TRP 51 - HN TRP 51 9.091% * 99.1488% (1.00 10.0 4.27 56.12) = 99.149% kept HA ASN 57 - HN TRP 51 9.091% * 0.3546% (0.92 1.0 0.08 0.02) = 0.355% HA ALA 37 - HN TRP 51 9.091% * 0.0889% (0.89 1.0 0.02 0.02) = 0.089% HA SER 88 - HN TRP 51 9.091% * 0.0828% (0.83 1.0 0.02 0.02) = 0.083% HA LYS+ 60 - HN TRP 51 9.091% * 0.0828% (0.83 1.0 0.02 0.02) = 0.083% HA THR 38 - HN TRP 51 9.091% * 0.0720% (0.72 1.0 0.02 0.02) = 0.072% HA THR 95 - HN TRP 51 9.091% * 0.0681% (0.68 1.0 0.02 0.02) = 0.068% HA2 GLY 26 - HN TRP 51 9.091% * 0.0408% (0.41 1.0 0.02 0.02) = 0.041% HA LYS+ 117 - HN TRP 51 9.091% * 0.0306% (0.31 1.0 0.02 0.02) = 0.031% HA1 GLY 26 - HN TRP 51 9.091% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% HA THR 24 - HN TRP 51 9.091% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% Peak 174 (2.34, 7.21, 124.79 ppm): 5 chemical-shift based assignments, quality = 0.82, support = 3.02, residual support = 11.7: * HG3 GLU- 50 - HN TRP 51 20.000% * 86.7045% (0.86 3.38 13.00) = 86.704% kept HA1 GLY 58 - HN TRP 51 20.000% * 12.2912% (0.59 0.70 3.68) = 12.291% kept HB2 TYR 83 - HN TRP 51 20.000% * 0.4739% (0.80 0.02 0.02) = 0.474% HB2 CYS 121 - HN TRP 51 20.000% * 0.3828% (0.64 0.02 0.02) = 0.383% HB3 PRO 86 - HN TRP 51 20.000% * 0.1476% (0.25 0.02 0.02) = 0.148% Peak 175 (7.47, 7.21, 124.79 ppm): 1 chemical-shift based assignment, quality = 0.373, support = 4.26, residual support = 56.1: * HE3 TRP 51 - HN TRP 51 100.000% *100.0000% (0.37 4.26 56.12) = 100.000% kept Peak 176 (3.40, 7.21, 124.79 ppm): 2 chemical-shift based assignments, quality = 0.995, support = 2.93, residual support = 56.1: * O HB3 TRP 51 - HN TRP 51 50.000% * 99.9825% (1.00 10.0 2.93 56.12) = 99.982% kept HA THR 39 - HN TRP 51 50.000% * 0.0175% (0.17 1.0 0.02 0.02) = 0.018% Peak 178 (4.94, 9.47, 124.72 ppm): 3 chemical-shift based assignments, quality = 0.246, support = 3.08, residual support = 27.2: * O HA HIS+ 98 - HN HIS+ 98 33.333% * 99.8764% (0.25 10.0 3.09 27.19) = 99.876% kept HA GLN 102 - HN HIS+ 98 33.333% * 0.0618% (0.15 1.0 0.02 0.02) = 0.062% HA ALA 33 - HN HIS+ 98 33.333% * 0.0618% (0.15 1.0 0.02 0.02) = 0.062% Peak 179 (2.91, 9.47, 124.72 ppm): 4 chemical-shift based assignments, quality = 0.778, support = 2.9, residual support = 26.1: * O HB2 HIS+ 98 - HN HIS+ 98 25.000% * 95.1882% (0.80 10.0 2.96 27.19) = 95.188% kept HG3 MET 97 - HN HIS+ 98 25.000% * 4.6731% (0.41 1.0 1.91 5.66) = 4.673% kept HA1 GLY 58 - HN HIS+ 98 25.000% * 0.0809% (0.68 1.0 0.02 0.02) = 0.081% HE3 LYS+ 60 - HN HIS+ 98 25.000% * 0.0579% (0.48 1.0 0.02 0.02) = 0.058% Peak 180 (1.64, 9.47, 124.72 ppm): 9 chemical-shift based assignments, quality = 0.834, support = 2.24, residual support = 3.61: * HB3 MET 97 - HN HIS+ 98 11.111% * 52.5071% (0.92 3.12 5.66) = 52.507% kept HB3 ARG+ 22 - HN HIS+ 98 11.111% * 25.2500% (0.96 1.44 1.98) = 25.250% kept HG LEU 23 - HN HIS+ 98 11.111% * 11.5309% (0.52 1.20 0.93) = 11.531% kept HB2 LEU 67 - HN HIS+ 98 11.111% * 8.9422% (0.45 1.10 0.39) = 8.942% kept HG3 ARG+ 84 - HN HIS+ 98 11.111% * 1.2698% (0.72 0.10 0.02) = 1.270% kept HG12 ILE 101 - HN HIS+ 98 11.111% * 0.1633% (0.45 0.02 0.02) = 0.163% HB ILE 100 - HN HIS+ 98 11.111% * 0.1633% (0.45 0.02 0.02) = 0.163% HB3 MET 126 - HN HIS+ 98 11.111% * 0.1013% (0.28 0.02 0.02) = 0.101% HG3 LYS+ 78 - HN HIS+ 98 11.111% * 0.0721% (0.20 0.02 0.02) = 0.072% Peak 181 (8.87, 9.47, 124.72 ppm): 2 chemical-shift based assignments, quality = 0.938, support = 0.429, residual support = 2.39: T HN ILE 68 - HN HIS+ 98 50.000% * 99.6445% (0.94 10.00 0.43 2.40) = 99.644% kept HN ASP- 36 - HN HIS+ 98 50.000% * 0.3555% (0.72 1.00 0.02 0.02) = 0.356% Peak 182 (3.13, 9.47, 124.72 ppm): 8 chemical-shift based assignments, quality = 0.755, support = 3.01, residual support = 27.0: * O HB3 HIS+ 98 - HN HIS+ 98 12.500% * 99.3471% (0.76 10.0 3.03 27.19) = 99.347% kept HE3 LYS+ 108 - HN HIS+ 98 12.500% * 0.1297% (0.99 1.0 0.02 0.02) = 0.130% HE3 LYS+ 117 - HN HIS+ 98 12.500% * 0.1297% (0.99 1.0 0.02 0.02) = 0.130% HE3 LYS+ 72 - HN HIS+ 98 12.500% * 0.1288% (0.99 1.0 0.02 0.02) = 0.129% HE3 LYS+ 81 - HN HIS+ 98 12.500% * 0.1230% (0.94 1.0 0.02 0.02) = 0.123% HD2 ARG+ 53 - HN HIS+ 98 12.500% * 0.0633% (0.48 1.0 0.02 0.02) = 0.063% HD3 PRO 35 - HN HIS+ 98 12.500% * 0.0443% (0.34 1.0 0.02 0.02) = 0.044% HA1 GLY 58 - HN HIS+ 98 12.500% * 0.0340% (0.26 1.0 0.02 0.02) = 0.034% Peak 183 (4.80, 9.47, 124.72 ppm): 5 chemical-shift based assignments, quality = 0.482, support = 1.74, residual support = 5.63: * O HA MET 97 - HN HIS+ 98 20.000% * 99.5558% (0.48 10.0 1.75 5.66) = 99.556% kept HA GLU- 107 - HN HIS+ 98 20.000% * 0.2028% (0.86 1.0 0.02 0.02) = 0.203% HA LYS+ 113 - HN HIS+ 98 20.000% * 0.1230% (0.52 1.0 0.02 0.02) = 0.123% HA PRO 116 - HN HIS+ 98 20.000% * 0.0722% (0.31 1.0 0.02 0.02) = 0.072% HA ASP- 115 - HN HIS+ 98 20.000% * 0.0463% (0.20 1.0 0.02 0.02) = 0.046% Peak 184 (0.70, 9.47, 124.72 ppm): 9 chemical-shift based assignments, quality = 0.807, support = 0.758, residual support = 0.535: HG LEU 67 - HN HIS+ 98 11.111% * 34.7479% (0.96 0.96 0.39) = 34.748% kept QD1 ILE 19 - HN HIS+ 98 11.111% * 22.6622% (0.86 0.70 0.93) = 22.662% kept HG12 ILE 19 - HN HIS+ 98 11.111% * 18.3061% (0.76 0.64 0.93) = 18.306% kept QG2 VAL 94 - HN HIS+ 98 11.111% * 16.0385% (0.80 0.54 0.11) = 16.038% kept QG2 VAL 40 - HN HIS+ 98 11.111% * 6.3906% (0.17 0.97 0.02) = 6.391% kept HG2 PRO 59 - HN HIS+ 98 11.111% * 0.7083% (0.94 0.02 0.02) = 0.708% QG2 ILE 101 - HN HIS+ 98 11.111% * 0.5143% (0.68 0.02 0.02) = 0.514% QG2 ILE 48 - HN HIS+ 98 11.111% * 0.4239% (0.56 0.02 0.02) = 0.424% QG1 VAL 62 - HN HIS+ 98 11.111% * 0.2082% (0.28 0.02 0.02) = 0.208% Peak 186 (3.91, 8.93, 124.84 ppm): 10 chemical-shift based assignments, quality = 0.502, support = 2.58, residual support = 14.3: * O HB THR 96 - HN THR 96 10.000% * 92.5523% (0.52 10.0 2.68 15.38) = 92.552% kept HD2 PRO 116 - HN THR 96 10.000% * 2.8249% (0.12 1.0 2.56 0.90) = 2.825% kept HA LEU 74 - HN THR 96 10.000% * 2.3915% (0.45 1.0 0.59 0.91) = 2.392% kept HB3 SER 77 - HN THR 96 10.000% * 1.7891% (0.41 1.0 0.49 0.02) = 1.789% kept HB2 SER 77 - HN THR 96 10.000% * 0.1418% (0.79 1.0 0.02 0.02) = 0.142% HA LYS+ 44 - HN THR 96 10.000% * 0.1207% (0.68 1.0 0.02 0.02) = 0.121% HB3 CYS 121 - HN THR 96 10.000% * 0.0641% (0.36 1.0 0.02 0.02) = 0.064% HA VAL 122 - HN THR 96 10.000% * 0.0488% (0.27 1.0 0.02 0.02) = 0.049% HA ILE 48 - HN THR 96 10.000% * 0.0385% (0.22 1.0 0.02 0.02) = 0.038% HD2 PRO 86 - HN THR 96 10.000% * 0.0283% (0.16 1.0 0.02 1.50) = 0.028% Peak 187 (8.93, 8.93, 124.84 ppm): 1 diagonal assignment: * HN THR 96 - HN THR 96 (0.64) kept Peak 188 (1.08, 8.93, 124.84 ppm): 4 chemical-shift based assignments, quality = 0.74, support = 2.69, residual support = 12.0: * QG2 THR 95 - HN THR 96 25.000% * 70.7462% (0.79 3.35 16.50) = 70.746% kept HG LEU 74 - HN THR 96 25.000% * 20.1634% (0.78 0.97 0.91) = 20.163% kept QG2 THR 61 - HN THR 96 25.000% * 6.9640% (0.16 1.65 2.44) = 6.964% kept QG2 THR 79 - HN THR 96 25.000% * 2.1264% (0.45 0.18 0.02) = 2.126% kept Peak 189 (4.87, 8.93, 124.84 ppm): 3 chemical-shift based assignments, quality = 0.642, support = 3.94, residual support = 16.8: O HA THR 96 - HN THR 96 33.333% * 80.8515% (0.64 10.0 3.75 15.38) = 80.851% kept HA ILE 19 - HN THR 96 33.333% * 19.0913% (0.64 1.0 4.72 23.07) = 19.091% kept HA SER 69 - HN THR 96 33.333% * 0.0572% (0.45 1.0 0.02 0.02) = 0.057% Reference assignment not found: HA THR 95 - HN THR 96 Peak 190 (0.71, 8.93, 124.84 ppm): 9 chemical-shift based assignments, quality = 0.465, support = 4.76, residual support = 15.3: QD1 ILE 19 - HN THR 96 11.111% * 34.4977% (0.42 6.75 23.07) = 34.498% kept HG12 ILE 19 - HN THR 96 11.111% * 25.6554% (0.33 6.42 23.07) = 25.655% kept * QG2 VAL 94 - HN THR 96 11.111% * 16.3907% (0.36 3.76 8.78) = 16.391% kept HG LEU 67 - HN THR 96 11.111% * 9.1895% (0.76 1.00 0.02) = 9.190% kept HG2 PRO 59 - HN THR 96 11.111% * 5.9551% (0.77 0.64 0.02) = 5.955% kept QG2 ILE 48 - HN THR 96 11.111% * 4.6710% (0.72 0.54 0.02) = 4.671% kept QG2 ILE 101 - HN THR 96 11.111% * 3.5052% (0.77 0.37 0.02) = 3.505% kept QG2 VAL 40 - HN THR 96 11.111% * 0.0871% (0.36 0.02 0.02) = 0.087% QD1 ILE 68 - HN THR 96 11.111% * 0.0485% (0.20 0.02 0.02) = 0.048% Peak 191 (1.65, 8.93, 124.84 ppm): 9 chemical-shift based assignments, quality = 0.7, support = 1.22, residual support = 1.42: HB3 MET 97 - HN THR 96 11.111% * 67.1540% (0.77 1.67 2.01) = 67.154% kept HG3 ARG+ 84 - HN THR 96 11.111% * 12.8255% (0.64 0.39 0.52) = 12.825% kept HB3 ARG+ 22 - HN THR 96 11.111% * 8.3109% (0.79 0.20 0.02) = 8.311% kept HB2 LEU 67 - HN THR 96 11.111% * 5.0232% (0.30 0.32 0.02) = 5.023% kept HB3 MET 126 - HN THR 96 11.111% * 3.7584% (0.27 0.26 0.02) = 3.758% kept HG LEU 23 - HN THR 96 11.111% * 1.7764% (0.36 0.10 0.02) = 1.776% kept HG3 LYS+ 78 - HN THR 96 11.111% * 0.5273% (0.12 0.08 0.02) = 0.527% HG12 ILE 101 - HN THR 96 11.111% * 0.3122% (0.30 0.02 0.02) = 0.312% HB ILE 100 - HN THR 96 11.111% * 0.3122% (0.30 0.02 0.02) = 0.312% Peak 192 (8.48, 8.96, 124.52 ppm): 4 chemical-shift based assignments, quality = 0.176, support = 2.36, residual support = 5.91: HN GLU- 18 - HN THR 96 25.000% * 98.7185% (0.18 2.39 5.98) = 98.719% kept HN GLY 92 - HN THR 96 25.000% * 0.5988% (0.13 0.02 0.02) = 0.599% HN GLU- 107 - HN THR 96 25.000% * 0.4014% (0.09 0.02 0.02) = 0.401% HN LYS+ 113 - HN THR 96 25.000% * 0.2813% (0.06 0.02 0.02) = 0.281% Peak 193 (4.21, 8.22, 124.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 194 (8.21, 8.22, 124.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 195 (1.34, 8.22, 124.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 196 (4.78, 8.22, 124.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 197 (1.99, 8.22, 124.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 198 (3.96, 8.22, 124.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 199 (4.54, 8.49, 124.44 ppm): 8 chemical-shift based assignments, quality = 0.693, support = 3.22, residual support = 19.0: * O HA LEU 17 - HN GLU- 18 12.500% * 99.6151% (0.70 10.0 3.24 19.06) = 99.615% kept HA ALA 103 - HN GLU- 18 12.500% * 0.1126% (0.79 1.0 0.02 0.02) = 0.113% HA THR 79 - HN GLU- 18 12.500% * 0.0959% (0.67 1.0 0.02 0.02) = 0.096% HA LYS+ 78 - HN GLU- 18 12.500% * 0.0878% (0.61 1.0 0.02 0.02) = 0.088% HA ALA 103 - HN GLU- 107 12.500% * 0.0252% (0.18 1.0 0.02 0.02) = 0.025% HA LEU 17 - HN GLU- 107 12.500% * 0.0223% (0.16 1.0 0.02 0.02) = 0.022% HA THR 79 - HN GLU- 107 12.500% * 0.0215% (0.15 1.0 0.02 0.02) = 0.021% HA LYS+ 78 - HN GLU- 107 12.500% * 0.0197% (0.14 1.0 0.02 0.02) = 0.020% Peak 200 (1.74, 8.49, 124.44 ppm): 8 chemical-shift based assignments, quality = 0.536, support = 0.465, residual support = 0.14: HB3 GLU- 50 - HN GLU- 18 12.500% * 49.5957% (0.72 0.49 0.14) = 49.596% kept HB ILE 48 - HN GLU- 18 12.500% * 30.9220% (0.36 0.61 0.22) = 30.922% kept * HB VAL 94 - HN GLU- 18 12.500% * 12.4762% (0.45 0.19 0.02) = 12.476% kept HB3 GLU- 50 - HN GLU- 107 12.500% * 4.3934% (0.16 0.19 0.02) = 4.393% kept HB2 ARG+ 84 - HN GLU- 107 12.500% * 1.0850% (0.08 0.10 0.02) = 1.085% kept HB2 ARG+ 84 - HN GLU- 18 12.500% * 1.0138% (0.36 0.02 0.02) = 1.014% kept HB VAL 94 - HN GLU- 107 12.500% * 0.2868% (0.10 0.02 0.02) = 0.287% HB ILE 48 - HN GLU- 107 12.500% * 0.2271% (0.08 0.02 0.02) = 0.227% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 201 (0.91, 8.49, 124.44 ppm): 22 chemical-shift based assignments, quality = 0.424, support = 1.6, residual support = 7.54: QD1 LEU 17 - HN GLU- 18 4.545% * 35.7601% (0.27 3.00 19.06) = 35.760% kept * HG LEU 74 - HN GLU- 18 4.545% * 29.1346% (0.48 1.41 2.48) = 29.135% kept HG13 ILE 68 - HN GLU- 18 4.545% * 13.2435% (0.72 0.42 0.02) = 13.243% kept QG2 VAL 73 - HN GLU- 18 4.545% * 6.9481% (0.70 0.23 0.02) = 6.948% kept QG1 VAL 47 - HN GLU- 18 4.545% * 6.1632% (0.61 0.23 0.02) = 6.163% kept QG2 VAL 105 - HN GLU- 107 4.545% * 3.2328% (0.13 0.57 0.02) = 3.233% kept HG LEU 74 - HN GLU- 107 4.545% * 1.9498% (0.11 0.42 0.02) = 1.950% kept QG2 VAL 87 - HN GLU- 18 4.545% * 0.6053% (0.70 0.02 0.02) = 0.605% QD1 LEU 67 - HN GLU- 18 4.545% * 0.5829% (0.67 0.02 0.02) = 0.583% QG2 VAL 73 - HN GLU- 107 4.545% * 0.5487% (0.16 0.08 0.02) = 0.549% QG2 VAL 105 - HN GLU- 18 4.545% * 0.5068% (0.58 0.02 0.02) = 0.507% QG1 VAL 80 - HN GLU- 18 4.545% * 0.2380% (0.27 0.02 0.02) = 0.238% QG1 VAL 105 - HN GLU- 18 4.545% * 0.2154% (0.25 0.02 0.02) = 0.215% QG1 VAL 122 - HN GLU- 18 4.545% * 0.1554% (0.18 0.02 0.02) = 0.155% HG13 ILE 68 - HN GLU- 107 4.545% * 0.1402% (0.16 0.02 0.02) = 0.140% QG2 VAL 87 - HN GLU- 107 4.545% * 0.1356% (0.16 0.02 0.02) = 0.136% QD1 LEU 67 - HN GLU- 107 4.545% * 0.1306% (0.15 0.02 0.02) = 0.131% QG1 VAL 47 - HN GLU- 107 4.545% * 0.1195% (0.14 0.02 0.02) = 0.119% QD1 LEU 17 - HN GLU- 107 4.545% * 0.0533% (0.06 0.02 0.02) = 0.053% QG1 VAL 80 - HN GLU- 107 4.545% * 0.0533% (0.06 0.02 0.02) = 0.053% QG1 VAL 105 - HN GLU- 107 4.545% * 0.0483% (0.06 0.02 0.02) = 0.048% QG1 VAL 122 - HN GLU- 107 4.545% * 0.0348% (0.04 0.02 0.02) = 0.035% Peak 203 (1.99, 8.49, 124.44 ppm): 22 chemical-shift based assignments, quality = 0.242, support = 3.07, residual support = 24.4: * O HB2 GLU- 18 - HN GLU- 18 4.545% * 89.7142% (0.25 10.0 3.27 26.94) = 89.714% kept HB2 LYS+ 108 - HN GLU- 107 4.545% * 6.4909% (0.18 1.0 2.00 4.22) = 6.491% kept HB VAL 73 - HN GLU- 18 4.545% * 1.8888% (0.45 1.0 0.23 0.02) = 1.889% kept HG3 PRO 104 - HN GLU- 107 4.545% * 0.7270% (0.12 1.0 0.35 0.02) = 0.727% HB2 LYS+ 108 - HN GLU- 18 4.545% * 0.2900% (0.80 1.0 0.02 0.02) = 0.290% HG3 PRO 104 - HN GLU- 18 4.545% * 0.1880% (0.52 1.0 0.02 0.02) = 0.188% HG2 PRO 86 - HN GLU- 18 4.545% * 0.1415% (0.39 1.0 0.02 0.02) = 0.141% HB VAL 105 - HN GLU- 18 4.545% * 0.1091% (0.30 1.0 0.02 0.02) = 0.109% HG2 GLU- 64 - HN GLU- 18 4.545% * 0.0725% (0.20 1.0 0.02 0.02) = 0.072% HB3 GLU- 109 - HN GLU- 18 4.545% * 0.0575% (0.16 1.0 0.02 0.02) = 0.058% HB VAL 122 - HN GLU- 18 4.545% * 0.0509% (0.14 1.0 0.02 0.02) = 0.051% HB3 GLU- 75 - HN GLU- 18 4.545% * 0.0498% (0.14 1.0 0.02 0.14) = 0.050% HG2 PRO 116 - HN GLU- 18 4.545% * 0.0448% (0.12 1.0 0.02 0.02) = 0.045% HB VAL 73 - HN GLU- 107 4.545% * 0.0369% (0.10 1.0 0.02 0.02) = 0.037% HG2 PRO 86 - HN GLU- 107 4.545% * 0.0317% (0.09 1.0 0.02 0.02) = 0.032% HB VAL 105 - HN GLU- 107 4.545% * 0.0244% (0.07 1.0 0.02 0.02) = 0.024% HB2 GLU- 18 - HN GLU- 107 4.545% * 0.0201% (0.06 1.0 0.02 0.87) = 0.020% HG2 GLU- 64 - HN GLU- 107 4.545% * 0.0162% (0.04 1.0 0.02 0.02) = 0.016% HB3 GLU- 109 - HN GLU- 107 4.545% * 0.0129% (0.04 1.0 0.02 0.02) = 0.013% HB VAL 122 - HN GLU- 107 4.545% * 0.0114% (0.03 1.0 0.02 0.02) = 0.011% HB3 GLU- 75 - HN GLU- 107 4.545% * 0.0112% (0.03 1.0 0.02 0.02) = 0.011% HG2 PRO 116 - HN GLU- 107 4.545% * 0.0100% (0.03 1.0 0.02 0.02) = 0.010% Peak 204 (1.58, 8.49, 124.44 ppm): 22 chemical-shift based assignments, quality = 0.544, support = 3.4, residual support = 13.2: * HG LEU 17 - HN GLU- 18 4.545% * 44.6767% (0.61 3.91 19.06) = 44.677% kept HB ILE 19 - HN GLU- 18 4.545% * 33.6349% (0.64 2.81 4.32) = 33.635% kept HB3 LEU 17 - HN GLU- 18 4.545% * 17.0213% (0.22 4.09 19.06) = 17.021% kept HB ILE 19 - HN GLU- 107 4.545% * 1.4376% (0.14 0.54 0.02) = 1.438% kept HG3 LYS+ 60 - HN GLU- 18 4.545% * 1.2660% (0.67 0.10 0.02) = 1.266% kept HD3 LYS+ 60 - HN GLU- 18 4.545% * 1.0411% (0.55 0.10 0.02) = 1.041% kept HB3 LYS+ 32 - HN GLU- 18 4.545% * 0.2596% (0.70 0.02 1.19) = 0.260% HD3 LYS+ 32 - HN GLU- 18 4.545% * 0.1123% (0.30 0.02 1.19) = 0.112% HB3 LEU 90 - HN GLU- 18 4.545% * 0.0832% (0.22 0.02 0.02) = 0.083% HG13 ILE 29 - HN GLU- 18 4.545% * 0.0592% (0.16 0.02 0.02) = 0.059% HB3 LYS+ 32 - HN GLU- 107 4.545% * 0.0582% (0.16 0.02 0.02) = 0.058% HG3 LYS+ 60 - HN GLU- 107 4.545% * 0.0560% (0.15 0.02 0.02) = 0.056% HG3 LYS+ 110 - HN GLU- 18 4.545% * 0.0524% (0.14 0.02 0.02) = 0.052% HG LEU 17 - HN GLU- 107 4.545% * 0.0512% (0.14 0.02 0.02) = 0.051% HG2 LYS+ 110 - HN GLU- 18 4.545% * 0.0462% (0.12 0.02 0.02) = 0.046% HD3 LYS+ 60 - HN GLU- 107 4.545% * 0.0461% (0.12 0.02 0.02) = 0.046% HD3 LYS+ 32 - HN GLU- 107 4.545% * 0.0252% (0.07 0.02 0.02) = 0.025% HB3 LEU 90 - HN GLU- 107 4.545% * 0.0186% (0.05 0.02 0.02) = 0.019% HB3 LEU 17 - HN GLU- 107 4.545% * 0.0186% (0.05 0.02 0.02) = 0.019% HG13 ILE 29 - HN GLU- 107 4.545% * 0.0133% (0.04 0.02 0.02) = 0.013% HG3 LYS+ 110 - HN GLU- 107 4.545% * 0.0117% (0.03 0.02 0.02) = 0.012% HG2 LYS+ 110 - HN GLU- 107 4.545% * 0.0103% (0.03 0.02 0.02) = 0.010% Peak 205 (1.34, 8.49, 124.44 ppm): 14 chemical-shift based assignments, quality = 0.628, support = 3.65, residual support = 13.1: * HB2 LEU 17 - HN GLU- 18 7.143% * 62.9184% (0.77 4.65 19.06) = 62.918% kept HG13 ILE 19 - HN GLU- 18 7.143% * 18.5631% (0.39 2.72 4.32) = 18.563% kept HG LEU 74 - HN GLU- 18 7.143% * 11.9236% (0.49 1.41 2.48) = 11.924% kept HB3 LYS+ 20 - HN GLU- 18 7.143% * 3.2198% (0.18 1.03 0.02) = 3.220% kept QB ALA 91 - HN GLU- 18 7.143% * 2.2055% (0.22 0.57 0.46) = 2.205% kept HG LEU 74 - HN GLU- 107 7.143% * 0.7980% (0.11 0.42 0.02) = 0.798% HG3 ARG+ 22 - HN GLU- 18 7.143% * 0.1256% (0.36 0.02 0.02) = 0.126% QB ALA 103 - HN GLU- 18 7.143% * 0.0779% (0.22 0.02 0.02) = 0.078% HB2 LEU 17 - HN GLU- 107 7.143% * 0.0606% (0.17 0.02 0.02) = 0.061% HG13 ILE 19 - HN GLU- 107 7.143% * 0.0306% (0.09 0.02 0.02) = 0.031% HG3 ARG+ 22 - HN GLU- 107 7.143% * 0.0281% (0.08 0.02 0.02) = 0.028% QB ALA 103 - HN GLU- 107 7.143% * 0.0175% (0.05 0.02 0.02) = 0.017% QB ALA 91 - HN GLU- 107 7.143% * 0.0175% (0.05 0.02 0.02) = 0.017% HB3 LYS+ 20 - HN GLU- 107 7.143% * 0.0140% (0.04 0.02 0.02) = 0.014% Peak 206 (0.70, 8.49, 124.44 ppm): 20 chemical-shift based assignments, quality = 0.511, support = 2.26, residual support = 2.95: QD1 ILE 19 - HN GLU- 18 5.000% * 31.6347% (0.55 2.90 4.32) = 31.635% kept HG12 ILE 19 - HN GLU- 18 5.000% * 31.1219% (0.45 3.46 4.32) = 31.122% kept QG2 ILE 101 - HN GLU- 18 5.000% * 9.4875% (0.70 0.69 0.93) = 9.488% kept QG2 ILE 48 - HN GLU- 18 5.000% * 7.2588% (0.61 0.60 0.22) = 7.259% kept * QG2 VAL 94 - HN GLU- 18 5.000% * 7.1755% (0.49 0.74 0.02) = 7.175% kept QG2 VAL 40 - HN GLU- 18 5.000% * 6.5820% (0.25 1.34 1.97) = 6.582% kept HG LEU 67 - HN GLU- 18 5.000% * 4.0258% (0.80 0.25 0.02) = 4.026% kept QG2 VAL 94 - HN GLU- 107 5.000% * 1.1848% (0.11 0.55 0.02) = 1.185% kept QD1 ILE 68 - HN GLU- 18 5.000% * 0.5710% (0.12 0.23 0.02) = 0.571% HG2 PRO 59 - HN GLU- 18 5.000% * 0.3179% (0.80 0.02 0.02) = 0.318% QG1 VAL 62 - HN GLU- 18 5.000% * 0.2484% (0.12 0.10 0.02) = 0.248% HG2 PRO 59 - HN GLU- 107 5.000% * 0.0712% (0.18 0.02 0.02) = 0.071% HG LEU 67 - HN GLU- 107 5.000% * 0.0711% (0.18 0.02 0.02) = 0.071% QG2 ILE 101 - HN GLU- 107 5.000% * 0.0618% (0.16 0.02 0.02) = 0.062% QG2 ILE 48 - HN GLU- 107 5.000% * 0.0544% (0.14 0.02 0.02) = 0.054% QD1 ILE 19 - HN GLU- 107 5.000% * 0.0489% (0.12 0.02 0.02) = 0.049% HG12 ILE 19 - HN GLU- 107 5.000% * 0.0403% (0.10 0.02 0.02) = 0.040% QG2 VAL 40 - HN GLU- 107 5.000% * 0.0220% (0.06 0.02 0.02) = 0.022% QG1 VAL 62 - HN GLU- 107 5.000% * 0.0110% (0.03 0.02 0.02) = 0.011% QD1 ILE 68 - HN GLU- 107 5.000% * 0.0110% (0.03 0.02 0.02) = 0.011% Peak 207 (4.69, 8.96, 124.53 ppm): 7 chemical-shift based assignments, quality = 0.17, support = 0.927, residual support = 1.7: HA THR 61 - HN THR 96 14.286% * 69.5155% (0.19 1.22 2.44) = 69.515% kept HA TYR 83 - HN THR 96 14.286% * 12.2576% (0.11 0.35 0.02) = 12.258% kept HA ASN 119 - HN THR 96 14.286% * 6.3577% (0.18 0.12 0.02) = 6.358% kept HA ASN 89 - HN THR 96 14.286% * 6.1801% (0.18 0.11 0.02) = 6.180% kept HA2 GLY 30 - HN THR 96 14.286% * 4.6708% (0.04 0.41 0.02) = 4.671% kept HA LYS+ 120 - HN THR 96 14.286% * 0.8187% (0.03 0.09 0.02) = 0.819% HA ASP- 36 - HN THR 96 14.286% * 0.1996% (0.03 0.02 0.02) = 0.200% Not enough quality. Peak unassigned. Peak 208 (1.72, 8.96, 124.53 ppm): 2 chemical-shift based assignments, quality = 0.169, support = 0.0692, residual support = 0.02: HB ILE 48 - HN THR 96 50.000% * 87.2853% (0.18 0.08 0.02) = 87.285% kept HB3 GLU- 50 - HN THR 96 50.000% * 12.7147% (0.10 0.02 0.02) = 12.715% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 209 (8.96, 8.96, 124.53 ppm): 1 diagonal assignment: HN THR 96 - HN THR 96 (0.13) kept Peak 210 (4.55, 8.96, 124.53 ppm): 5 chemical-shift based assignments, quality = 0.183, support = 0.478, residual support = 0.407: HA LEU 17 - HN THR 96 20.000% * 65.8117% (0.19 0.61 0.61) = 65.812% kept HA THR 79 - HN THR 96 20.000% * 27.9118% (0.19 0.26 0.02) = 27.912% kept HA LYS+ 78 - HN THR 96 20.000% * 3.9660% (0.08 0.08 0.02) = 3.966% kept HA ALA 103 - HN THR 96 20.000% * 1.6458% (0.14 0.02 0.02) = 1.646% kept HA LYS+ 72 - HN THR 96 20.000% * 0.6647% (0.06 0.02 0.02) = 0.665% Not enough quality. Peak unassigned. Peak 211 (1.89, 8.96, 124.53 ppm): 8 chemical-shift based assignments, quality = 0.176, support = 1.87, residual support = 4.97: HG2 GLU- 18 - HN THR 96 12.500% * 82.0671% (0.19 2.23 5.98) = 82.067% kept HB3 ARG+ 84 - HN THR 96 12.500% * 10.4059% (0.15 0.35 0.52) = 10.406% kept HG3 LYS+ 120 - HN THR 96 12.500% * 2.9189% (0.16 0.09 0.02) = 2.919% kept HB3 MET 118 - HN THR 96 12.500% * 2.1195% (0.11 0.09 0.02) = 2.120% kept HD3 LYS+ 63 - HN THR 96 12.500% * 1.2168% (0.05 0.13 0.02) = 1.217% kept HB3 CYS 123 - HN THR 96 12.500% * 0.6268% (0.16 0.02 0.02) = 0.627% HB3 GLU- 54 - HN THR 96 12.500% * 0.3364% (0.08 0.02 0.02) = 0.336% HB3 GLN 102 - HN THR 96 12.500% * 0.3085% (0.08 0.02 0.02) = 0.309% Peak 212 (1.34, 8.96, 124.53 ppm): 7 chemical-shift based assignments, quality = 0.115, support = 2.12, residual support = 12.4: HG13 ILE 19 - HN THR 96 14.286% * 50.0399% (0.12 2.97 23.07) = 50.040% kept HB3 LYS+ 20 - HN THR 96 14.286% * 19.5527% (0.06 2.20 3.17) = 19.553% kept HG LEU 74 - HN THR 96 14.286% * 15.0438% (0.11 0.97 0.91) = 15.044% kept HB2 LEU 17 - HN THR 96 14.286% * 9.1020% (0.19 0.35 0.61) = 9.102% kept HG3 ARG+ 22 - HN THR 96 14.286% * 5.9564% (0.11 0.38 0.02) = 5.956% kept QB ALA 91 - HN THR 96 14.286% * 0.2141% (0.08 0.02 0.02) = 0.214% QB ALA 103 - HN THR 96 14.286% * 0.0912% (0.03 0.02 0.02) = 0.091% Peak 213 (0.90, 8.97, 124.53 ppm): 13 chemical-shift based assignments, quality = 0.0876, support = 0.458, residual support = 0.278: HG LEU 74 - HN THR 96 7.692% * 28.9562% (0.07 0.97 0.91) = 28.956% kept QG1 VAL 80 - HN THR 96 7.692% * 19.7430% (0.10 0.42 0.02) = 19.743% kept QG2 VAL 105 - HN THR 96 7.692% * 10.6520% (0.12 0.20 0.02) = 10.652% kept QD1 LEU 67 - HN THR 96 7.692% * 10.1670% (0.11 0.20 0.02) = 10.167% kept QG2 VAL 87 - HN THR 96 7.692% * 9.8098% (0.11 0.20 0.02) = 9.810% kept QG2 VAL 47 - HN THR 96 7.692% * 7.3486% (0.07 0.24 0.02) = 7.349% kept HG13 ILE 68 - HN THR 96 7.692% * 4.9051% (0.11 0.10 0.02) = 4.905% kept QG2 VAL 73 - HN THR 96 7.692% * 3.4237% (0.04 0.19 0.02) = 3.424% kept QG2 VAL 125 - HN THR 96 7.692% * 2.3689% (0.06 0.08 0.02) = 2.369% kept QG1 VAL 47 - HN THR 96 7.692% * 1.0537% (0.12 0.02 0.02) = 1.054% kept QG1 VAL 122 - HN THR 96 7.692% * 0.7806% (0.09 0.02 0.02) = 0.781% QG1 VAL 40 - HN THR 96 7.692% * 0.5233% (0.06 0.02 0.02) = 0.523% QG2 VAL 122 - HN THR 96 7.692% * 0.2681% (0.03 0.02 0.02) = 0.268% Not enough quality. Peak unassigned. Peak 214 (1.60, 8.96, 124.53 ppm): 10 chemical-shift based assignments, quality = 0.16, support = 0.416, residual support = 0.352: HB3 LEU 17 - HN THR 96 10.000% * 56.3526% (0.19 0.61 0.61) = 56.353% kept HD3 LYS+ 32 - HN THR 96 10.000% * 13.5672% (0.19 0.15 0.02) = 13.567% kept HB2 LEU 67 - HN THR 96 10.000% * 10.1198% (0.06 0.32 0.02) = 10.120% kept HB3 LYS+ 32 - HN THR 96 10.000% * 7.8363% (0.11 0.15 0.02) = 7.836% kept HG3 LYS+ 78 - HN THR 96 10.000% * 4.9001% (0.12 0.08 0.02) = 4.900% kept HG LEU 23 - HN THR 96 10.000% * 2.4419% (0.05 0.10 0.02) = 2.442% kept HG3 LYS+ 110 - HN THR 96 10.000% * 1.7796% (0.18 0.02 0.02) = 1.780% kept HG2 LYS+ 110 - HN THR 96 10.000% * 1.7443% (0.18 0.02 0.02) = 1.744% kept HB ILE 100 - HN THR 96 10.000% * 0.6290% (0.06 0.02 0.02) = 0.629% HG12 ILE 101 - HN THR 96 10.000% * 0.6290% (0.06 0.02 0.02) = 0.629% Not enough quality. Peak unassigned. Peak 215 (0.93, 8.58, 124.50 ppm): 15 chemical-shift based assignments, quality = 0.718, support = 2.42, residual support = 13.2: * QG2 VAL 73 - HN VAL 73 6.667% * 56.0320% (0.83 3.44 17.94) = 56.032% kept HG LEU 74 - HN VAL 73 6.667% * 22.9416% (0.64 1.83 11.82) = 22.942% kept HG12 ILE 29 - HN VAL 73 6.667% * 4.7669% (0.64 0.38 0.02) = 4.767% kept QG2 ILE 29 - HN VAL 73 6.667% * 4.5728% (0.52 0.45 0.02) = 4.573% kept HG13 ILE 68 - HN VAL 73 6.667% * 3.5977% (0.28 0.66 6.96) = 3.598% kept HG12 ILE 68 - HN VAL 73 6.667% * 3.2756% (0.52 0.32 6.96) = 3.276% kept QG1 VAL 105 - HN VAL 73 6.667% * 2.6228% (0.92 0.15 0.02) = 2.623% kept HG3 LYS+ 63 - HN VAL 73 6.667% * 0.8632% (0.41 0.11 0.02) = 0.863% QG2 VAL 105 - HN VAL 73 6.667% * 0.3819% (0.15 0.13 0.02) = 0.382% QD1 LEU 17 - HN VAL 73 6.667% * 0.3693% (0.94 0.02 0.02) = 0.369% QG2 VAL 62 - HN VAL 73 6.667% * 0.2368% (0.60 0.02 0.15) = 0.237% QG2 VAL 87 - HN VAL 73 6.667% * 0.0973% (0.25 0.02 0.02) = 0.097% QG2 VAL 99 - HN VAL 73 6.667% * 0.0869% (0.22 0.02 0.02) = 0.087% QD1 LEU 67 - HN VAL 73 6.667% * 0.0869% (0.22 0.02 1.01) = 0.087% QG1 VAL 47 - HN VAL 73 6.667% * 0.0684% (0.17 0.02 0.02) = 0.068% Peak 216 (4.57, 8.58, 124.50 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 3.1, residual support = 13.7: * O HA LYS+ 72 - HN VAL 73 25.000% * 99.8865% (1.00 10.0 3.10 13.75) = 99.886% kept HA ASP- 25 - HN VAL 73 25.000% * 0.0486% (0.48 1.0 0.02 0.02) = 0.049% HA THR 79 - HN VAL 73 25.000% * 0.0341% (0.34 1.0 0.02 0.02) = 0.034% HA LEU 17 - HN VAL 73 25.000% * 0.0308% (0.31 1.0 0.02 0.02) = 0.031% Peak 217 (8.58, 8.58, 124.50 ppm): 1 diagonal assignment: * HN VAL 73 - HN VAL 73 (0.99) kept Peak 218 (1.95, 8.58, 124.50 ppm): 14 chemical-shift based assignments, quality = 0.294, support = 2.74, residual support = 16.1: O HB VAL 73 - HN VAL 73 7.143% * 89.6050% (0.25 10.0 3.04 17.94) = 89.605% kept HG3 PRO 31 - HN VAL 73 7.143% * 4.1442% (0.99 1.0 0.23 0.02) = 4.144% kept HB2 GLU- 75 - HN VAL 73 7.143% * 2.3688% (0.96 1.0 0.14 0.32) = 2.369% kept HB ILE 29 - HN VAL 73 7.143% * 1.8746% (0.45 1.0 0.23 0.02) = 1.875% kept HB3 LYS+ 55 - HN VAL 73 7.143% * 0.3586% (0.99 1.0 0.02 0.02) = 0.359% HG2 PRO 112 - HN VAL 73 7.143% * 0.2877% (0.80 1.0 0.02 0.02) = 0.288% HG3 PRO 116 - HN VAL 73 7.143% * 0.2877% (0.80 1.0 0.02 0.02) = 0.288% HB2 PRO 116 - HN VAL 73 7.143% * 0.2609% (0.72 1.0 0.02 0.02) = 0.261% HB VAL 122 - HN VAL 73 7.143% * 0.2468% (0.68 1.0 0.02 0.37) = 0.247% HB3 GLU- 109 - HN VAL 73 7.143% * 0.2325% (0.64 1.0 0.02 0.02) = 0.232% HB3 PRO 35 - HN VAL 73 7.143% * 0.1109% (0.31 1.0 0.02 0.02) = 0.111% HB2 LEU 23 - HN VAL 73 7.143% * 0.0800% (0.22 1.0 0.02 0.02) = 0.080% HG3 PRO 104 - HN VAL 73 7.143% * 0.0711% (0.20 1.0 0.02 0.02) = 0.071% HB3 GLU- 56 - HN VAL 73 7.143% * 0.0711% (0.20 1.0 0.02 0.13) = 0.071% Peak 219 (1.82, 8.58, 124.50 ppm): 14 chemical-shift based assignments, quality = 0.674, support = 3.11, residual support = 12.9: HD3 LYS+ 72 - HN VAL 73 7.143% * 71.6749% (0.86 2.97 13.75) = 71.675% kept HB3 LYS+ 72 - HN VAL 73 7.143% * 21.8379% (0.17 4.48 13.75) = 21.838% kept HB2 LYS+ 66 - HN VAL 73 7.143% * 3.6431% (0.48 0.27 0.02) = 3.643% kept HD3 LYS+ 117 - HN VAL 73 7.143% * 0.5458% (0.98 0.02 0.02) = 0.546% HB2 PRO 59 - HN VAL 73 7.143% * 0.4651% (0.83 0.02 0.02) = 0.465% HB2 GLU- 109 - HN VAL 73 7.143% * 0.4256% (0.76 0.02 0.02) = 0.426% HB3 PRO 59 - HN VAL 73 7.143% * 0.3602% (0.64 0.02 0.02) = 0.360% HG3 PRO 112 - HN VAL 73 7.143% * 0.3602% (0.64 0.02 0.02) = 0.360% HB3 LYS+ 44 - HN VAL 73 7.143% * 0.1719% (0.31 0.02 0.14) = 0.172% HB3 LYS+ 117 - HN VAL 73 7.143% * 0.1240% (0.22 0.02 0.02) = 0.124% HB3 LYS+ 108 - HN VAL 73 7.143% * 0.1102% (0.20 0.02 0.02) = 0.110% HB2 LYS+ 117 - HN VAL 73 7.143% * 0.0975% (0.17 0.02 0.02) = 0.098% HB3 LYS+ 113 - HN VAL 73 7.143% * 0.0975% (0.17 0.02 0.02) = 0.098% HB2 PRO 104 - HN VAL 73 7.143% * 0.0859% (0.15 0.02 0.02) = 0.086% Reference assignment not found: HB VAL 73 - HN VAL 73 Peak 220 (4.17, 8.58, 124.50 ppm): 5 chemical-shift based assignments, quality = 0.862, support = 3.77, residual support = 17.9: * O HA VAL 73 - HN VAL 73 20.000% * 99.8523% (0.86 10.0 3.77 17.94) = 99.852% kept HA MET 126 - HN VAL 73 20.000% * 0.0516% (0.45 1.0 0.02 0.02) = 0.052% HA LYS+ 44 - HN VAL 73 20.000% * 0.0418% (0.36 1.0 0.02 0.14) = 0.042% HB2 SER 88 - HN VAL 73 20.000% * 0.0287% (0.25 1.0 0.02 0.02) = 0.029% HA GLU- 64 - HN VAL 73 20.000% * 0.0256% (0.22 1.0 0.02 0.02) = 0.026% Peak 221 (1.53, 8.58, 124.50 ppm): 9 chemical-shift based assignments, quality = 0.463, support = 3.36, residual support = 12.6: HG3 LYS+ 72 - HN VAL 73 11.111% * 44.8369% (0.52 3.52 13.75) = 44.837% kept * HB2 LYS+ 72 - HN VAL 73 11.111% * 40.3509% (0.41 4.05 13.75) = 40.351% kept HG LEU 74 - HN VAL 73 11.111% * 7.4214% (0.17 1.83 11.82) = 7.421% kept QG2 VAL 80 - HN VAL 73 11.111% * 5.2914% (0.92 0.24 0.02) = 5.291% kept HG13 ILE 29 - HN VAL 73 11.111% * 1.1162% (0.20 0.23 0.02) = 1.116% kept HG LEU 43 - HN VAL 73 11.111% * 0.4049% (0.83 0.02 0.02) = 0.405% HB3 LEU 23 - HN VAL 73 11.111% * 0.2940% (0.60 0.02 0.02) = 0.294% HD3 LYS+ 108 - HN VAL 73 11.111% * 0.1496% (0.31 0.02 0.02) = 0.150% QG2 THR 24 - HN VAL 73 11.111% * 0.1348% (0.28 0.02 0.02) = 0.135% Peak 222 (4.72, 8.58, 124.50 ppm): 2 chemical-shift based assignments, quality = 0.974, support = 0.718, residual support = 0.02: HA PRO 31 - HN VAL 73 50.000% * 97.4442% (0.98 0.74 0.02) = 97.444% kept HA2 GLY 30 - HN VAL 73 50.000% * 2.5558% (0.94 0.02 0.02) = 2.556% kept Peak 224 (10.17, 8.10, 124.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 225 (8.73, 8.74, 124.39 ppm): 1 diagonal assignment: * HN GLU- 56 - HN GLU- 56 (0.87) kept Peak 226 (4.51, 8.74, 124.39 ppm): 7 chemical-shift based assignments, quality = 0.976, support = 3.01, residual support = 14.3: * O HA LYS+ 55 - HN GLU- 56 14.286% * 99.6626% (0.98 10.0 3.02 14.37) = 99.663% kept HB THR 46 - HN GLU- 56 14.286% * 0.0997% (0.98 1.0 0.02 0.02) = 0.100% HA SER 77 - HN GLU- 56 14.286% * 0.0698% (0.69 1.0 0.02 0.02) = 0.070% HA CYS 123 - HN GLU- 56 14.286% * 0.0576% (0.57 1.0 0.02 0.02) = 0.058% HA LYS+ 78 - HN GLU- 56 14.286% * 0.0495% (0.49 1.0 0.02 0.02) = 0.049% HA ASN 76 - HN GLU- 56 14.286% * 0.0382% (0.37 1.0 0.02 0.02) = 0.038% HA ALA 103 - HN GLU- 56 14.286% * 0.0226% (0.22 1.0 0.02 0.02) = 0.023% Peak 227 (1.96, 8.74, 124.39 ppm): 11 chemical-shift based assignments, quality = 0.618, support = 3.06, residual support = 11.5: * HB3 LYS+ 55 - HN GLU- 56 9.091% * 80.0401% (0.65 3.72 14.37) = 80.040% kept HB2 GLU- 75 - HN GLU- 56 9.091% * 9.1261% (0.45 0.61 0.02) = 9.126% kept HB VAL 73 - HN GLU- 56 9.091% * 7.4813% (0.80 0.28 0.13) = 7.481% kept HB3 GLU- 109 - HN GLU- 56 9.091% * 0.6631% (1.00 0.02 0.02) = 0.663% HB VAL 122 - HN GLU- 56 9.091% * 0.6587% (0.99 0.02 0.02) = 0.659% HG3 PRO 116 - HN GLU- 56 9.091% * 0.6287% (0.94 0.02 0.02) = 0.629% HG3 PRO 104 - HN GLU- 56 9.091% * 0.4826% (0.73 0.02 0.02) = 0.483% HG3 PRO 31 - HN GLU- 56 9.091% * 0.4565% (0.69 0.02 0.02) = 0.457% HG2 PRO 112 - HN GLU- 56 9.091% * 0.1657% (0.25 0.02 0.02) = 0.166% HB2 LYS+ 108 - HN GLU- 56 9.091% * 0.1657% (0.25 0.02 0.02) = 0.166% HB2 PRO 116 - HN GLU- 56 9.091% * 0.1315% (0.20 0.02 0.02) = 0.132% Peak 228 (2.32, 8.74, 124.39 ppm): 7 chemical-shift based assignments, quality = 0.523, support = 0.584, residual support = 1.48: * HA1 GLY 58 - HN GLU- 56 14.286% * 40.9968% (0.56 0.65 2.95) = 40.997% kept HG3 GLU- 64 - HN GLU- 56 14.286% * 39.3596% (0.49 0.71 0.68) = 39.360% kept HB2 PRO 86 - HN GLU- 56 14.286% * 8.5103% (0.20 0.38 0.02) = 8.510% kept HB3 PRO 86 - HN GLU- 56 14.286% * 8.0887% (0.83 0.09 0.02) = 8.089% kept HB2 TYR 83 - HN GLU- 56 14.286% * 2.1029% (0.92 0.02 0.02) = 2.103% kept HG3 GLU- 50 - HN GLU- 56 14.286% * 0.6334% (0.28 0.02 0.02) = 0.633% HB2 CYS 121 - HN GLU- 56 14.286% * 0.3083% (0.14 0.02 0.02) = 0.308% Peak 229 (2.11, 8.74, 124.39 ppm): 12 chemical-shift based assignments, quality = 0.913, support = 1.78, residual support = 4.18: * HG3 GLU- 56 - HN GLU- 56 8.333% * 76.0495% (1.00 2.25 5.32) = 76.049% kept HB3 GLU- 75 - HN GLU- 56 8.333% * 8.0304% (0.96 0.25 0.02) = 8.030% kept HB VAL 87 - HN GLU- 56 8.333% * 6.2101% (0.69 0.27 0.02) = 6.210% kept HA1 GLY 58 - HN GLU- 56 8.333% * 4.3701% (0.20 0.65 2.95) = 4.370% kept HB VAL 65 - HN GLU- 56 8.333% * 3.4168% (0.73 0.14 0.02) = 3.417% kept HB3 LEU 43 - HN GLU- 56 8.333% * 0.6754% (1.00 0.02 0.02) = 0.675% HB VAL 125 - HN GLU- 56 8.333% * 0.2783% (0.41 0.02 0.02) = 0.278% HB2 LEU 43 - HN GLU- 56 8.333% * 0.2541% (0.37 0.02 0.02) = 0.254% HB2 LYS+ 110 - HN GLU- 56 8.333% * 0.2089% (0.31 0.02 0.02) = 0.209% HB VAL 47 - HN GLU- 56 8.333% * 0.1688% (0.25 0.02 0.02) = 0.169% HD3 LYS+ 110 - HN GLU- 56 8.333% * 0.1688% (0.25 0.02 0.02) = 0.169% HB2 ASP- 28 - HN GLU- 56 8.333% * 0.1688% (0.25 0.02 0.02) = 0.169% Peak 230 (4.25, 8.74, 124.39 ppm): 14 chemical-shift based assignments, quality = 0.961, support = 2.25, residual support = 4.98: * O HA GLU- 56 - HN GLU- 56 7.143% * 93.3579% (0.99 10.0 2.34 5.32) = 93.358% kept HA GLU- 54 - HN GLU- 56 7.143% * 3.1748% (0.37 1.0 1.80 0.29) = 3.175% kept HA PRO 59 - HN GLU- 56 7.143% * 1.4969% (0.83 1.0 0.38 0.02) = 1.497% kept HA GLU- 75 - HN GLU- 56 7.143% * 1.4711% (0.87 1.0 0.36 0.02) = 1.471% kept HA2 GLY 114 - HN GLU- 56 7.143% * 0.0940% (1.00 1.0 0.02 0.02) = 0.094% HA LYS+ 108 - HN GLU- 56 7.143% * 0.0817% (0.87 1.0 0.02 0.02) = 0.082% HA ARG+ 84 - HN GLU- 56 7.143% * 0.0533% (0.57 1.0 0.02 0.02) = 0.053% HA VAL 65 - HN GLU- 56 7.143% * 0.0496% (0.53 1.0 0.02 0.02) = 0.050% HA SER 85 - HN GLU- 56 7.143% * 0.0422% (0.45 1.0 0.02 0.02) = 0.042% HA PRO 52 - HN GLU- 56 7.143% * 0.0422% (0.45 1.0 0.02 0.02) = 0.042% HD3 PRO 59 - HN GLU- 56 7.143% * 0.0422% (0.45 1.0 0.02 0.02) = 0.042% HA ALA 91 - HN GLU- 56 7.143% * 0.0387% (0.41 1.0 0.02 0.02) = 0.039% HA SER 49 - HN GLU- 56 7.143% * 0.0291% (0.31 1.0 0.02 0.31) = 0.029% HA GLU- 18 - HN GLU- 56 7.143% * 0.0262% (0.28 1.0 0.02 0.02) = 0.026% Peak 231 (7.81, 8.74, 124.39 ppm): 5 chemical-shift based assignments, quality = 0.944, support = 3.17, residual support = 13.3: * T HN LYS+ 55 - HN GLU- 56 20.000% * 92.6720% (0.99 10.00 3.39 14.37) = 92.672% kept T HN LYS+ 63 - HN GLU- 56 20.000% * 6.5498% (0.41 10.00 0.34 0.02) = 6.550% kept HN VAL 87 - HN GLU- 56 20.000% * 0.6624% (0.37 1.00 0.38 0.02) = 0.662% HN ALA 93 - HN GLU- 56 20.000% * 0.0839% (0.90 1.00 0.02 0.02) = 0.084% HN THR 46 - HN GLU- 56 20.000% * 0.0319% (0.34 1.00 0.02 0.02) = 0.032% Peak 232 (1.31, 8.74, 124.39 ppm): 5 chemical-shift based assignments, quality = 0.694, support = 2.88, residual support = 13.0: * HB2 LYS+ 55 - HN GLU- 56 20.000% * 90.3623% (0.73 3.16 14.37) = 90.362% kept HB3 LEU 74 - HN GLU- 56 20.000% * 6.0197% (0.37 0.41 0.02) = 6.020% kept HG LEU 74 - HN GLU- 56 20.000% * 2.2346% (0.70 0.08 0.02) = 2.235% kept QG2 THR 46 - HN GLU- 56 20.000% * 0.7262% (0.92 0.02 0.02) = 0.726% QB ALA 103 - HN GLU- 56 20.000% * 0.6571% (0.83 0.02 0.02) = 0.657% Peak 233 (1.54, 7.73, 124.20 ppm): 11 chemical-shift based assignments, quality = 0.464, support = 0.615, residual support = 0.778: HB3 LEU 90 - HN ALA 42 9.091% * 29.6304% (0.76 0.44 0.02) = 29.630% kept HG3 LYS+ 60 - HN ALA 42 9.091% * 20.6032% (0.22 1.06 0.10) = 20.603% kept HD3 LYS+ 60 - HN ALA 42 9.091% * 14.3730% (0.34 0.48 0.10) = 14.373% kept * HG LEU 43 - HN ALA 42 9.091% * 12.1875% (0.17 0.80 5.91) = 12.188% kept HG LEU 74 - HN ALA 42 9.091% * 10.6372% (0.14 0.87 0.12) = 10.637% kept HB3 LEU 23 - HN ALA 42 9.091% * 7.2713% (0.96 0.09 0.02) = 7.271% kept QG2 THR 24 - HN ALA 42 9.091% * 1.6551% (0.94 0.02 0.02) = 1.655% kept HG13 ILE 29 - HN ALA 42 9.091% * 1.5177% (0.87 0.02 0.02) = 1.518% kept QG2 VAL 80 - HN ALA 42 9.091% * 1.2018% (0.69 0.02 0.02) = 1.202% kept HG LEU 17 - HN ALA 42 9.091% * 0.4865% (0.28 0.02 0.02) = 0.486% HB ILE 19 - HN ALA 42 9.091% * 0.4363% (0.25 0.02 0.02) = 0.436% 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): 7 chemical-shift based assignments, quality = 0.853, support = 1.3, residual support = 3.42: * HB3 SER 41 - HN ALA 42 14.286% * 66.4097% (1.00 1.60 5.08) = 66.410% kept HA ILE 48 - HN ALA 42 14.286% * 24.0739% (0.68 0.86 0.17) = 24.074% kept HA LYS+ 44 - HN ALA 42 14.286% * 6.8643% (0.39 0.42 0.02) = 6.864% kept HA GLU- 45 - HN ALA 42 14.286% * 0.8280% (1.00 0.02 0.02) = 0.828% HD3 PRO 112 - HN ALA 42 14.286% * 0.7850% (0.94 0.02 0.02) = 0.785% HD3 PRO 116 - HN ALA 42 14.286% * 0.6026% (0.73 0.02 0.02) = 0.603% HA2 GLY 92 - HN ALA 42 14.286% * 0.4366% (0.53 0.02 0.02) = 0.437% Peak 236 (4.22, 7.73, 124.20 ppm): 12 chemical-shift based assignments, quality = 0.98, support = 2.86, residual support = 3.8: * O HA ALA 42 - HN ALA 42 8.333% * 94.6676% (1.00 10.0 2.97 4.01) = 94.668% kept HA GLU- 18 - HN ALA 42 8.333% * 4.1336% (0.83 1.0 1.05 0.02) = 4.134% kept HA SER 49 - HN ALA 42 8.333% * 0.3987% (0.80 1.0 0.11 0.02) = 0.399% HA LYS+ 44 - HN ALA 42 8.333% * 0.3704% (0.18 1.0 0.42 0.02) = 0.370% HA LYS+ 110 - HN ALA 42 8.333% * 0.0945% (1.00 1.0 0.02 0.02) = 0.094% HB3 SER 49 - HN ALA 42 8.333% * 0.0938% (0.99 1.0 0.02 0.02) = 0.094% HA GLU- 54 - HN ALA 42 8.333% * 0.0687% (0.73 1.0 0.02 0.02) = 0.069% HA GLU- 109 - HN ALA 42 8.333% * 0.0650% (0.69 1.0 0.02 0.02) = 0.065% HA ASP- 82 - HN ALA 42 8.333% * 0.0389% (0.41 1.0 0.02 0.02) = 0.039% HA PRO 59 - HN ALA 42 8.333% * 0.0263% (0.28 1.0 0.02 0.02) = 0.026% HA LYS+ 108 - HN ALA 42 8.333% * 0.0236% (0.25 1.0 0.02 0.02) = 0.024% HA GLU- 64 - HN ALA 42 8.333% * 0.0187% (0.20 1.0 0.02 0.02) = 0.019% Peak 237 (8.16, 7.73, 124.20 ppm): 4 chemical-shift based assignments, quality = 0.995, support = 1.74, residual support = 5.07: * T HN SER 41 - HN ALA 42 25.000% * 99.8737% (1.00 10.00 1.74 5.08) = 99.874% kept HN SER 77 - HN ALA 42 25.000% * 0.0742% (0.65 1.00 0.02 0.02) = 0.074% HN ASN 119 - HN ALA 42 25.000% * 0.0319% (0.28 1.00 0.02 0.02) = 0.032% HN ALA 33 - HN ALA 42 25.000% * 0.0201% (0.17 1.00 0.02 0.02) = 0.020% Peak 238 (1.38, 7.73, 124.20 ppm): 11 chemical-shift based assignments, quality = 0.445, support = 2.12, residual support = 3.04: O QB ALA 42 - HN ALA 42 9.091% * 61.0130% (0.28 10.0 2.25 4.01) = 61.013% kept QG2 THR 39 - HN ALA 42 9.091% * 23.6494% (0.94 1.0 2.28 1.97) = 23.649% kept QG2 THR 38 - HN ALA 42 9.091% * 5.8192% (0.22 1.0 2.38 2.04) = 5.819% kept HG LEU 74 - HN ALA 42 9.091% * 4.5049% (0.47 1.0 0.87 0.12) = 4.505% kept HB3 LYS+ 20 - HN ALA 42 9.091% * 3.5382% (0.41 1.0 0.78 0.02) = 3.538% kept QB ALA 91 - HN ALA 42 9.091% * 1.0012% (0.34 1.0 0.27 0.02) = 1.001% kept HG2 LYS+ 78 - HN ALA 42 9.091% * 0.1757% (0.80 1.0 0.02 0.02) = 0.176% HD3 LYS+ 20 - HN ALA 42 9.091% * 0.1677% (0.76 1.0 0.02 0.02) = 0.168% QB ALA 37 - HN ALA 42 9.091% * 0.0489% (0.22 1.0 0.02 0.02) = 0.049% HG3 ARG+ 22 - HN ALA 42 9.091% * 0.0434% (0.20 1.0 0.02 0.02) = 0.043% HG13 ILE 19 - HN ALA 42 9.091% * 0.0384% (0.17 1.0 0.02 0.02) = 0.038% Peak 239 (7.97, 7.73, 124.20 ppm): 3 chemical-shift based assignments, quality = 0.799, support = 2.86, residual support = 5.91: * T HN LEU 43 - HN ALA 42 33.333% * 99.9194% (0.80 10.00 2.86 5.91) = 99.919% kept HN LYS+ 72 - HN ALA 42 33.333% * 0.0559% (0.45 1.00 0.02 0.02) = 0.056% HN MET 126 - HN ALA 42 33.333% * 0.0247% (0.20 1.00 0.02 0.02) = 0.025% Peak 240 (8.58, 7.73, 124.20 ppm): 4 chemical-shift based assignments, quality = 0.986, support = 0.735, residual support = 1.93: * T HN THR 39 - HN ALA 42 25.000% * 97.5703% (0.99 10.00 0.75 1.97) = 97.570% kept HN VAL 73 - HN ALA 42 25.000% * 2.0401% (0.98 1.00 0.16 0.02) = 2.040% kept HN VAL 80 - HN ALA 42 25.000% * 0.2619% (1.00 1.00 0.02 0.02) = 0.262% HN LYS+ 20 - HN ALA 42 25.000% * 0.1277% (0.49 1.00 0.02 0.02) = 0.128% 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): 24 chemical-shift based assignments, quality = 0.908, support = 1.44, residual support = 3.37: * O HA THR 106 - HN GLU- 107 4.167% * 94.8335% (0.94 10.0 1.48 3.56) = 94.833% kept HA LEU 90 - HN GLU- 18 4.167% * 2.9101% (0.37 1.0 1.14 0.02) = 2.910% kept HA ARG+ 84 - HN GLU- 107 4.167% * 1.3106% (0.37 1.0 0.52 0.02) = 1.311% kept HA LEU 90 - HN GLU- 107 4.167% * 0.1351% (0.99 1.0 0.02 0.02) = 0.135% HA PRO 104 - HN GLU- 107 4.167% * 0.1035% (0.76 1.0 0.02 0.02) = 0.103% HA ALA 91 - HN GLU- 107 4.167% * 0.0712% (0.52 1.0 0.02 0.02) = 0.071% HA SER 85 - HN GLU- 107 4.167% * 0.0659% (0.48 1.0 0.02 0.02) = 0.066% HD3 PRO 59 - HN GLU- 107 4.167% * 0.0659% (0.48 1.0 0.02 0.02) = 0.066% HA PRO 52 - HN GLU- 107 4.167% * 0.0659% (0.48 1.0 0.02 0.02) = 0.066% HA ILE 29 - HN GLU- 107 4.167% * 0.0607% (0.45 1.0 0.02 0.02) = 0.061% HA VAL 65 - HN GLU- 107 4.167% * 0.0557% (0.41 1.0 0.02 0.02) = 0.056% HA THR 106 - HN GLU- 18 4.167% * 0.0483% (0.35 1.0 0.02 0.02) = 0.048% HA PRO 104 - HN GLU- 18 4.167% * 0.0390% (0.29 1.0 0.02 0.02) = 0.039% HA PRO 112 - HN GLU- 107 4.167% * 0.0302% (0.22 1.0 0.02 0.02) = 0.030% HA ALA 91 - HN GLU- 18 4.167% * 0.0268% (0.20 1.0 0.02 0.46) = 0.027% HA SER 85 - HN GLU- 18 4.167% * 0.0248% (0.18 1.0 0.02 0.02) = 0.025% HA PRO 52 - HN GLU- 18 4.167% * 0.0248% (0.18 1.0 0.02 0.02) = 0.025% HD3 PRO 59 - HN GLU- 18 4.167% * 0.0248% (0.18 1.0 0.02 0.02) = 0.025% HA ILE 29 - HN GLU- 18 4.167% * 0.0229% (0.17 1.0 0.02 0.02) = 0.023% HA VAL 65 - HN GLU- 18 4.167% * 0.0210% (0.15 1.0 0.02 0.02) = 0.021% HA GLU- 75 - HN GLU- 107 4.167% * 0.0209% (0.15 1.0 0.02 0.02) = 0.021% HA ARG+ 84 - HN GLU- 18 4.167% * 0.0191% (0.14 1.0 0.02 0.02) = 0.019% HA PRO 112 - HN GLU- 18 4.167% * 0.0114% (0.08 1.0 0.02 0.02) = 0.011% HA GLU- 75 - HN GLU- 18 4.167% * 0.0079% (0.06 1.0 0.02 0.14) = 0.008% Peak 243 (1.88, 8.47, 124.23 ppm): 16 chemical-shift based assignments, quality = 0.574, support = 2.74, residual support = 13.8: * HG2 GLU- 18 - HN GLU- 18 6.250% * 50.5746% (0.34 4.83 26.94) = 50.575% kept HG3 LYS+ 120 - HN GLU- 107 6.250% * 24.3459% (0.94 0.83 0.02) = 24.346% kept HG2 GLU- 18 - HN GLU- 107 6.250% * 14.6238% (0.89 0.53 0.87) = 14.624% kept HB3 MET 118 - HN GLU- 107 6.250% * 4.0799% (0.45 0.29 0.02) = 4.080% kept HB3 ARG+ 84 - HN GLU- 107 6.250% * 2.7339% (0.92 0.10 0.02) = 2.734% kept HB3 GLN 102 - HN GLU- 18 6.250% * 1.1642% (0.10 0.36 1.52) = 1.164% kept HB3 GLN 102 - HN GLU- 107 6.250% * 0.9552% (0.28 0.11 0.02) = 0.955% HB3 CYS 123 - HN GLU- 107 6.250% * 0.4258% (0.68 0.02 0.02) = 0.426% HG3 LYS+ 120 - HN GLU- 18 6.250% * 0.2209% (0.35 0.02 0.02) = 0.221% HB3 ARG+ 84 - HN GLU- 18 6.250% * 0.2156% (0.35 0.02 0.02) = 0.216% HB3 GLU- 54 - HN GLU- 107 6.250% * 0.1913% (0.31 0.02 0.02) = 0.191% HB3 CYS 123 - HN GLU- 18 6.250% * 0.1604% (0.26 0.02 0.02) = 0.160% HB3 MET 118 - HN GLU- 18 6.250% * 0.1047% (0.17 0.02 0.02) = 0.105% HD3 LYS+ 63 - HN GLU- 107 6.250% * 0.0957% (0.15 0.02 0.02) = 0.096% HB3 GLU- 54 - HN GLU- 18 6.250% * 0.0721% (0.12 0.02 0.02) = 0.072% HD3 LYS+ 63 - HN GLU- 18 6.250% * 0.0360% (0.06 0.02 0.02) = 0.036% Peak 244 (4.81, 8.47, 124.23 ppm): 6 chemical-shift based assignments, quality = 0.993, support = 2.18, residual support = 8.81: * O HA GLU- 107 - HN GLU- 107 16.667% * 99.8181% (1.00 10.0 2.18 8.82) = 99.818% kept HA MET 97 - HN GLU- 107 16.667% * 0.0799% (0.80 1.0 0.02 0.02) = 0.080% HA GLU- 107 - HN GLU- 18 16.667% * 0.0376% (0.37 1.0 0.02 0.87) = 0.038% HA MET 97 - HN GLU- 18 16.667% * 0.0301% (0.30 1.0 0.02 0.46) = 0.030% HA LYS+ 113 - HN GLU- 107 16.667% * 0.0249% (0.25 1.0 0.02 0.02) = 0.025% HA LYS+ 113 - HN GLU- 18 16.667% * 0.0094% (0.09 1.0 0.02 0.92) = 0.009% Peak 245 (2.22, 8.47, 124.23 ppm): 28 chemical-shift based assignments, quality = 0.716, support = 2.38, residual support = 11.7: * HG3 GLU- 107 - HN GLU- 107 3.571% * 47.1007% (1.00 2.50 8.82) = 47.101% kept HG3 GLU- 18 - HN GLU- 18 3.571% * 27.4513% (0.37 3.88 26.94) = 27.451% kept HG3 GLU- 18 - HN GLU- 107 3.571% * 6.5762% (0.99 0.35 0.87) = 6.576% kept HG3 MET 118 - HN GLU- 107 3.571% * 6.4254% (0.94 0.36 0.02) = 6.425% kept HA1 GLY 58 - HN GLU- 18 3.571% * 4.4477% (0.14 1.74 1.44) = 4.448% kept HB2 GLU- 50 - HN GLU- 18 3.571% * 2.8087% (0.37 0.40 0.14) = 2.809% kept HG3 GLU- 75 - HN GLU- 18 3.571% * 1.0527% (0.24 0.23 0.14) = 1.053% kept HG3 GLU- 75 - HN GLU- 107 3.571% * 0.9850% (0.64 0.08 0.02) = 0.985% HB2 GLU- 50 - HN GLU- 107 3.571% * 0.3755% (0.99 0.02 0.02) = 0.376% HG3 GLU- 109 - HN GLU- 107 3.571% * 0.3632% (0.96 0.02 0.02) = 0.363% HG3 MET 126 - HN GLU- 107 3.571% * 0.3474% (0.92 0.02 0.02) = 0.347% HB3 PRO 52 - HN GLU- 107 3.571% * 0.3265% (0.86 0.02 0.02) = 0.326% HG3 GLU- 54 - HN GLU- 107 3.571% * 0.2283% (0.60 0.02 0.02) = 0.228% HB2 LYS+ 113 - HN GLU- 107 3.571% * 0.1687% (0.45 0.02 0.02) = 0.169% HG3 GLU- 107 - HN GLU- 18 3.571% * 0.1418% (0.37 0.02 0.87) = 0.142% HG3 GLU- 109 - HN GLU- 18 3.571% * 0.1368% (0.36 0.02 0.02) = 0.137% HA1 GLY 58 - HN GLU- 107 3.571% * 0.1357% (0.36 0.02 0.02) = 0.136% HG3 MET 118 - HN GLU- 18 3.571% * 0.1341% (0.35 0.02 0.02) = 0.134% HG3 MET 126 - HN GLU- 18 3.571% * 0.1309% (0.35 0.02 0.02) = 0.131% HG2 GLU- 56 - HN GLU- 107 3.571% * 0.1284% (0.34 0.02 0.02) = 0.128% HB3 PRO 52 - HN GLU- 18 3.571% * 0.1230% (0.33 0.02 0.02) = 0.123% HG2 MET 126 - HN GLU- 107 3.571% * 0.1046% (0.28 0.02 0.02) = 0.105% HG3 GLU- 54 - HN GLU- 18 3.571% * 0.0860% (0.23 0.02 0.02) = 0.086% HB2 LYS+ 113 - HN GLU- 18 3.571% * 0.0636% (0.17 0.02 0.92) = 0.064% HB VAL 99 - HN GLU- 107 3.571% * 0.0509% (0.13 0.02 0.02) = 0.051% HG2 GLU- 56 - HN GLU- 18 3.571% * 0.0484% (0.13 0.02 0.02) = 0.048% HG2 MET 126 - HN GLU- 18 3.571% * 0.0394% (0.10 0.02 0.02) = 0.039% HB VAL 99 - HN GLU- 18 3.571% * 0.0192% (0.05 0.02 0.02) = 0.019% Peak 246 (4.68, 8.47, 124.23 ppm): 12 chemical-shift based assignments, quality = 0.827, support = 0.439, residual support = 0.223: HA ASN 119 - HN GLU- 107 8.333% * 71.0447% (0.99 0.53 0.31) = 71.045% kept HA LYS+ 120 - HN GLU- 107 8.333% * 15.9897% (0.31 0.38 0.02) = 15.990% kept HA ASN 89 - HN GLU- 107 8.333% * 2.7035% (0.99 0.02 0.02) = 2.704% kept HA THR 61 - HN GLU- 107 8.333% * 2.5631% (0.94 0.02 0.02) = 2.563% kept HA TYR 83 - HN GLU- 107 8.333% * 2.2632% (0.83 0.02 0.02) = 2.263% kept HA ASN 89 - HN GLU- 18 8.333% * 1.0185% (0.37 0.02 0.02) = 1.018% kept HA ASN 119 - HN GLU- 18 8.333% * 1.0117% (0.37 0.02 0.02) = 1.012% kept HA THR 61 - HN GLU- 18 8.333% * 0.9656% (0.35 0.02 0.02) = 0.966% HA ASP- 36 - HN GLU- 107 8.333% * 0.9242% (0.34 0.02 0.02) = 0.924% HA TYR 83 - HN GLU- 18 8.333% * 0.8526% (0.31 0.02 0.02) = 0.853% HA ASP- 36 - HN GLU- 18 8.333% * 0.3482% (0.13 0.02 0.02) = 0.348% HA LYS+ 120 - HN GLU- 18 8.333% * 0.3150% (0.12 0.02 0.02) = 0.315% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 247 (2.03, 8.47, 124.23 ppm): 32 chemical-shift based assignments, quality = 0.886, support = 2.25, residual support = 10.8: * O HB3 GLU- 107 - HN GLU- 107 3.125% * 87.6003% (1.00 10.0 2.15 8.82) = 87.600% kept O HB2 GLU- 18 - HN GLU- 18 3.125% * 11.2569% (0.13 10.0 3.27 26.94) = 11.257% kept HB3 LYS+ 110 - HN GLU- 107 3.125% * 0.0845% (0.96 1.0 0.02 0.02) = 0.085% HB3 GLU- 45 - HN GLU- 107 3.125% * 0.0845% (0.96 1.0 0.02 0.02) = 0.085% HB VAL 62 - HN GLU- 107 3.125% * 0.0701% (0.80 1.0 0.02 0.02) = 0.070% HG3 PRO 86 - HN GLU- 107 3.125% * 0.0701% (0.80 1.0 0.02 0.02) = 0.070% HB3 PRO 31 - HN GLU- 107 3.125% * 0.0701% (0.80 1.0 0.02 0.02) = 0.070% HB2 LYS+ 44 - HN GLU- 107 3.125% * 0.0701% (0.80 1.0 0.02 0.02) = 0.070% HB2 PRO 112 - HN GLU- 107 3.125% * 0.0602% (0.68 1.0 0.02 0.02) = 0.060% HB3 PRO 112 - HN GLU- 107 3.125% * 0.0531% (0.60 1.0 0.02 0.02) = 0.053% HG2 PRO 116 - HN GLU- 107 3.125% * 0.0496% (0.56 1.0 0.02 0.02) = 0.050% HB3 GLU- 75 - HN GLU- 107 3.125% * 0.0481% (0.55 1.0 0.02 0.02) = 0.048% HB2 GLU- 45 - HN GLU- 107 3.125% * 0.0461% (0.52 1.0 0.02 0.02) = 0.046% HG2 GLU- 64 - HN GLU- 107 3.125% * 0.0360% (0.41 1.0 0.02 0.02) = 0.036% HB3 GLU- 107 - HN GLU- 18 3.125% * 0.0330% (0.37 1.0 0.02 0.87) = 0.033% HB3 LYS+ 110 - HN GLU- 18 3.125% * 0.0318% (0.36 1.0 0.02 0.02) = 0.032% HB3 GLU- 45 - HN GLU- 18 3.125% * 0.0318% (0.36 1.0 0.02 0.02) = 0.032% HB2 GLU- 18 - HN GLU- 107 3.125% * 0.0299% (0.34 1.0 0.02 0.87) = 0.030% HG3 PRO 86 - HN GLU- 18 3.125% * 0.0264% (0.30 1.0 0.02 0.02) = 0.026% HB VAL 62 - HN GLU- 18 3.125% * 0.0264% (0.30 1.0 0.02 0.02) = 0.026% HB3 PRO 31 - HN GLU- 18 3.125% * 0.0264% (0.30 1.0 0.02 0.13) = 0.026% HB2 LYS+ 44 - HN GLU- 18 3.125% * 0.0264% (0.30 1.0 0.02 0.02) = 0.026% HB VAL 105 - HN GLU- 107 3.125% * 0.0244% (0.28 1.0 0.02 0.02) = 0.024% HB2 PRO 112 - HN GLU- 18 3.125% * 0.0227% (0.26 1.0 0.02 0.02) = 0.023% HB3 PRO 112 - HN GLU- 18 3.125% * 0.0200% (0.23 1.0 0.02 0.02) = 0.020% HG2 PRO 116 - HN GLU- 18 3.125% * 0.0187% (0.21 1.0 0.02 0.02) = 0.019% HB3 GLU- 75 - HN GLU- 18 3.125% * 0.0181% (0.21 1.0 0.02 0.14) = 0.018% HB2 GLU- 45 - HN GLU- 18 3.125% * 0.0174% (0.20 1.0 0.02 0.02) = 0.017% HG2 PRO 86 - HN GLU- 107 3.125% * 0.0173% (0.20 1.0 0.02 0.02) = 0.017% HG2 GLU- 64 - HN GLU- 18 3.125% * 0.0136% (0.15 1.0 0.02 0.02) = 0.014% HB VAL 105 - HN GLU- 18 3.125% * 0.0092% (0.10 1.0 0.02 0.02) = 0.009% HG2 PRO 86 - HN GLU- 18 3.125% * 0.0065% (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 = 0.436, support = 0.475, residual support = 0.697: HN SER 41 - HN GLU- 18 16.667% * 46.2737% (0.37 0.58 1.32) = 46.274% kept HN ASN 119 - HN GLU- 107 16.667% * 25.9020% (0.17 0.69 0.31) = 25.902% kept HN SER 77 - HN GLU- 107 16.667% * 22.0086% (0.80 0.13 0.02) = 22.009% kept HN SER 41 - HN GLU- 107 16.667% * 4.2294% (0.98 0.02 0.02) = 4.229% kept HN SER 77 - HN GLU- 18 16.667% * 1.3016% (0.30 0.02 0.02) = 1.302% kept HN ASN 119 - HN GLU- 18 16.667% * 0.2847% (0.07 0.02 0.02) = 0.285% Peak 249 (8.21, 8.22, 124.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 250 (2.05, 8.22, 124.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 251 (4.21, 8.22, 124.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 252 (1.35, 8.22, 124.30 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 1 diagonal assignment: * HN ILE 19 - HN ILE 19 (0.94) kept Peak 267 (1.36, 8.03, 123.92 ppm): 8 chemical-shift based assignments, quality = 0.857, support = 0.915, residual support = 16.1: HG13 ILE 19 - HN ILE 19 12.500% * 37.0481% (1.00 1.21 28.10) = 37.048% kept HB3 LYS+ 20 - HN ILE 19 12.500% * 26.1220% (0.86 0.98 21.67) = 26.122% kept QB ALA 91 - HN ILE 19 12.500% * 16.1773% (0.92 0.57 0.02) = 16.177% kept * HG LEU 74 - HN ILE 19 12.500% * 12.6069% (0.55 0.74 0.02) = 12.607% kept HB2 LEU 17 - HN ILE 19 12.500% * 6.9460% (0.64 0.35 0.02) = 6.946% kept HG3 ARG+ 22 - HN ILE 19 12.500% * 0.6119% (0.99 0.02 0.13) = 0.612% HG2 LYS+ 78 - HN ILE 19 12.500% * 0.2985% (0.48 0.02 0.02) = 0.299% QG2 THR 39 - HN ILE 19 12.500% * 0.1893% (0.31 0.02 0.02) = 0.189% Peak 268 (9.07, 8.43, 123.73 ppm): 4 chemical-shift based assignments, quality = 0.973, support = 3.22, residual support = 18.1: * T HN GLU- 54 - HN ARG+ 53 25.000% * 98.8322% (0.98 10.00 3.26 18.29) = 98.832% kept T HN GLU- 54 - HN CYS 123 25.000% * 0.9799% (0.98 10.00 0.02 0.02) = 0.980% HN LYS+ 66 - HN ARG+ 53 25.000% * 0.0943% (0.94 1.00 0.02 0.02) = 0.094% HN LYS+ 66 - HN CYS 123 25.000% * 0.0935% (0.93 1.00 0.02 0.02) = 0.094% Peak 269 (8.43, 8.43, 123.73 ppm): 2 diagonal assignments: * HN CYS 123 - HN CYS 123 (0.97) kept HN ARG+ 53 - HN ARG+ 53 (0.96) kept Peak 270 (1.77, 8.43, 123.73 ppm): 24 chemical-shift based assignments, quality = 0.974, support = 3.18, residual support = 9.75: * O HB3 ARG+ 53 - HN ARG+ 53 4.167% * 97.1323% (0.98 10.0 3.26 10.04) = 97.132% kept HB3 GLU- 18 - HN ARG+ 53 4.167% * 1.8021% (0.98 1.0 0.37 0.02) = 1.802% kept HB3 ARG+ 53 - HN CYS 123 4.167% * 0.0963% (0.98 1.0 0.02 0.02) = 0.096% HB3 GLU- 18 - HN CYS 123 4.167% * 0.0963% (0.98 1.0 0.02 0.02) = 0.096% HB2 ARG+ 84 - HN ARG+ 53 4.167% * 0.0712% (0.72 1.0 0.02 0.02) = 0.071% HB2 ARG+ 84 - HN CYS 123 4.167% * 0.0706% (0.72 1.0 0.02 0.02) = 0.071% HB3 PRO 116 - HN ARG+ 53 4.167% * 0.0673% (0.68 1.0 0.02 0.02) = 0.067% HB3 PRO 116 - HN CYS 123 4.167% * 0.0667% (0.68 1.0 0.02 0.02) = 0.067% HG2 PRO 31 - HN ARG+ 53 4.167% * 0.0634% (0.64 1.0 0.02 0.02) = 0.063% HG2 PRO 31 - HN CYS 123 4.167% * 0.0629% (0.64 1.0 0.02 0.02) = 0.063% HB VAL 94 - HN ARG+ 53 4.167% * 0.0594% (0.60 1.0 0.02 0.02) = 0.059% HB VAL 94 - HN CYS 123 4.167% * 0.0589% (0.60 1.0 0.02 0.02) = 0.059% HB3 LYS+ 63 - HN ARG+ 53 4.167% * 0.0477% (0.48 1.0 0.02 0.02) = 0.048% HB3 LYS+ 63 - HN CYS 123 4.167% * 0.0473% (0.48 1.0 0.02 0.02) = 0.047% HB3 LYS+ 113 - HN ARG+ 53 4.167% * 0.0302% (0.31 1.0 0.02 0.02) = 0.030% HB2 LYS+ 117 - HN ARG+ 53 4.167% * 0.0302% (0.31 1.0 0.02 0.02) = 0.030% HB3 LYS+ 113 - HN CYS 123 4.167% * 0.0300% (0.30 1.0 0.02 0.02) = 0.030% HB2 LYS+ 117 - HN CYS 123 4.167% * 0.0300% (0.30 1.0 0.02 0.02) = 0.030% HB3 LYS+ 108 - HN ARG+ 53 4.167% * 0.0272% (0.28 1.0 0.02 0.02) = 0.027% HB3 LYS+ 108 - HN CYS 123 4.167% * 0.0270% (0.27 1.0 0.02 0.02) = 0.027% HB3 LYS+ 117 - HN ARG+ 53 4.167% * 0.0244% (0.25 1.0 0.02 0.02) = 0.024% HB3 LYS+ 117 - HN CYS 123 4.167% * 0.0242% (0.25 1.0 0.02 0.02) = 0.024% HB3 LYS+ 44 - HN ARG+ 53 4.167% * 0.0172% (0.17 1.0 0.02 0.02) = 0.017% HB3 LYS+ 44 - HN CYS 123 4.167% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% Peak 271 (2.23, 8.43, 123.73 ppm): 26 chemical-shift based assignments, quality = 0.961, support = 2.29, residual support = 4.36: * O HB3 PRO 52 - HN ARG+ 53 3.846% * 94.5631% (0.99 10.0 2.38 4.20) = 94.563% kept HG3 GLU- 54 - HN ARG+ 53 3.846% * 2.1504% (0.31 1.0 1.47 18.29) = 2.150% kept HB2 GLU- 50 - HN ARG+ 53 3.846% * 1.8543% (0.83 1.0 0.47 0.02) = 1.854% kept HB3 PRO 52 - HN CYS 123 3.846% * 0.0938% (0.98 1.0 0.02 0.02) = 0.094% HG3 MET 118 - HN ARG+ 53 3.846% * 0.0927% (0.97 1.0 0.02 0.02) = 0.093% HG3 MET 118 - HN CYS 123 3.846% * 0.0919% (0.97 1.0 0.02 0.02) = 0.092% HG3 GLU- 75 - HN ARG+ 53 3.846% * 0.0873% (0.92 1.0 0.02 0.02) = 0.087% HG3 GLU- 75 - HN CYS 123 3.846% * 0.0865% (0.91 1.0 0.02 0.02) = 0.087% HG3 GLU- 18 - HN ARG+ 53 3.846% * 0.0848% (0.89 1.0 0.02 0.02) = 0.085% HG3 GLU- 18 - HN CYS 123 3.846% * 0.0841% (0.88 1.0 0.02 0.02) = 0.084% HG3 GLU- 107 - HN ARG+ 53 3.846% * 0.0820% (0.86 1.0 0.02 0.02) = 0.082% HG3 GLU- 107 - HN CYS 123 3.846% * 0.0813% (0.85 1.0 0.02 0.02) = 0.081% HB2 GLU- 50 - HN CYS 123 3.846% * 0.0783% (0.82 1.0 0.02 0.02) = 0.078% HG3 GLU- 109 - HN ARG+ 53 3.846% * 0.0687% (0.72 1.0 0.02 0.02) = 0.069% HG3 GLU- 109 - HN CYS 123 3.846% * 0.0681% (0.72 1.0 0.02 0.02) = 0.068% HG3 MET 126 - HN ARG+ 53 3.846% * 0.0612% (0.64 1.0 0.02 0.02) = 0.061% HG2 GLU- 56 - HN ARG+ 53 3.846% * 0.0612% (0.64 1.0 0.02 0.02) = 0.061% HG3 MET 126 - HN CYS 123 3.846% * 0.0607% (0.64 1.0 0.02 0.02) = 0.061% HG2 GLU- 56 - HN CYS 123 3.846% * 0.0607% (0.64 1.0 0.02 0.02) = 0.061% HA1 GLY 58 - HN ARG+ 53 3.846% * 0.0354% (0.37 1.0 0.02 0.02) = 0.035% HA1 GLY 58 - HN CYS 123 3.846% * 0.0351% (0.37 1.0 0.02 0.02) = 0.035% HG3 GLU- 54 - HN CYS 123 3.846% * 0.0289% (0.30 1.0 0.02 0.02) = 0.029% HB VAL 80 - HN ARG+ 53 3.846% * 0.0263% (0.28 1.0 0.02 0.02) = 0.026% HB VAL 80 - HN CYS 123 3.846% * 0.0261% (0.27 1.0 0.02 0.02) = 0.026% HB2 LYS+ 113 - HN ARG+ 53 3.846% * 0.0187% (0.20 1.0 0.02 0.02) = 0.019% HB2 LYS+ 113 - HN CYS 123 3.846% * 0.0186% (0.19 1.0 0.02 0.02) = 0.019% Peak 272 (1.70, 8.34, 123.66 ppm): 2 chemical-shift based assignments, quality = 0.185, support = 0.02, residual support = 0.02: HB ILE 48 - HN ASN 76 50.000% * 52.1653% (0.19 0.02 0.02) = 52.165% kept HD3 LYS+ 55 - HN ASN 76 50.000% * 47.8347% (0.18 0.02 0.02) = 47.835% kept Not enough support, support cutoff is 0.25 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): 7 chemical-shift based assignments, quality = 0.955, support = 2.09, residual support = 3.93: * O HA LYS+ 66 - HN LEU 67 14.286% * 98.3747% (0.97 10.0 2.12 3.99) = 98.375% kept HA THR 95 - HN LEU 67 14.286% * 1.2943% (0.45 1.0 0.57 0.16) = 1.294% kept HA THR 24 - HN LEU 67 14.286% * 0.0999% (0.98 1.0 0.02 0.02) = 0.100% HA CYS 121 - HN LEU 67 14.286% * 0.0964% (0.95 1.0 0.02 0.02) = 0.096% HA LYS+ 111 - HN LEU 67 14.286% * 0.0536% (0.53 1.0 0.02 0.02) = 0.054% HB THR 24 - HN LEU 67 14.286% * 0.0496% (0.49 1.0 0.02 0.02) = 0.050% HA SER 88 - HN LEU 67 14.286% * 0.0315% (0.31 1.0 0.02 0.02) = 0.031% Peak 275 (1.17, 8.24, 123.72 ppm): 6 chemical-shift based assignments, quality = 0.905, support = 2.31, residual support = 17.7: HG LEU 74 - HN LEU 67 16.667% * 39.2925% (0.98 2.91 24.34) = 39.293% kept * HB3 LYS+ 66 - HN LEU 67 16.667% * 25.6395% (1.00 1.85 3.99) = 25.639% kept HB ILE 68 - HN LEU 67 16.667% * 23.4115% (0.65 2.62 19.74) = 23.412% kept HB2 LEU 74 - HN LEU 67 16.667% * 10.3565% (1.00 0.75 24.34) = 10.356% kept QG2 THR 106 - HN LEU 67 16.667% * 1.1099% (0.97 0.08 0.02) = 1.110% kept HG3 PRO 59 - HN LEU 67 16.667% * 0.1901% (0.69 0.02 0.02) = 0.190% Peak 276 (1.46, 8.24, 123.72 ppm): 5 chemical-shift based assignments, quality = 0.952, support = 2.91, residual support = 27.5: * O HB3 LEU 67 - HN LEU 67 20.000% * 95.9579% (0.98 10.0 2.92 27.70) = 95.958% kept HG LEU 74 - HN LEU 67 20.000% * 3.9555% (0.28 1.0 2.91 24.34) = 3.955% kept QB ALA 70 - HN LEU 67 20.000% * 0.0477% (0.49 1.0 0.02 0.02) = 0.048% HG LEU 90 - HN LEU 67 20.000% * 0.0218% (0.22 1.0 0.02 0.02) = 0.022% HB3 LYS+ 60 - HN LEU 67 20.000% * 0.0171% (0.18 1.0 0.02 0.02) = 0.017% Peak 277 (0.76, 8.24, 123.72 ppm): 5 chemical-shift based assignments, quality = 0.355, support = 2.66, residual support = 13.4: * HG3 LYS+ 66 - HN LEU 67 20.000% * 45.3445% (0.53 2.19 3.99) = 45.344% kept QD1 ILE 68 - HN LEU 67 20.000% * 29.0657% (0.22 3.32 19.74) = 29.066% kept HG LEU 74 - HN LEU 67 20.000% * 24.2179% (0.21 2.91 24.34) = 24.218% kept HG3 LYS+ 44 - HN LEU 67 20.000% * 0.7709% (0.98 0.02 0.21) = 0.771% HG12 ILE 100 - HN LEU 67 20.000% * 0.6010% (0.76 0.02 0.94) = 0.601% Peak 278 (0.90, 8.24, 123.72 ppm): 12 chemical-shift based assignments, quality = 0.875, support = 2.55, residual support = 20.2: HG13 ILE 68 - HN LEU 67 8.333% * 37.4477% (1.00 3.20 19.74) = 37.448% kept * QD1 LEU 67 - HN LEU 67 8.333% * 29.1160% (1.00 2.49 27.70) = 29.116% kept HG LEU 74 - HN LEU 67 8.333% * 19.4546% (0.57 2.91 24.34) = 19.455% kept QG1 VAL 47 - HN LEU 67 8.333% * 4.6963% (0.98 0.41 0.02) = 4.696% kept QG2 VAL 47 - HN LEU 67 8.333% * 3.0712% (0.34 0.77 0.02) = 3.071% kept QG2 VAL 105 - HN LEU 67 8.333% * 2.9707% (0.97 0.26 0.02) = 2.971% kept QG2 VAL 73 - HN LEU 67 8.333% * 2.6061% (0.57 0.39 1.01) = 2.606% kept QG2 VAL 87 - HN LEU 67 8.333% * 0.2343% (1.00 0.02 0.02) = 0.234% QG1 VAL 80 - HN LEU 67 8.333% * 0.1516% (0.65 0.02 0.02) = 0.152% QG1 VAL 122 - HN LEU 67 8.333% * 0.1140% (0.49 0.02 0.02) = 0.114% QG2 VAL 125 - HN LEU 67 8.333% * 0.0723% (0.31 0.02 0.02) = 0.072% QG1 VAL 40 - HN LEU 67 8.333% * 0.0651% (0.28 0.02 0.02) = 0.065% Peak 279 (1.07, 8.24, 123.72 ppm): 3 chemical-shift based assignments, quality = 0.956, support = 2.89, residual support = 24.2: HG LEU 74 - HN LEU 67 33.333% * 99.2818% (0.96 2.91 24.34) = 99.282% kept QG2 THR 95 - HN LEU 67 33.333% * 0.5415% (0.76 0.02 0.16) = 0.541% QG2 THR 79 - HN LEU 67 33.333% * 0.1767% (0.25 0.02 0.02) = 0.177% Peak 280 (5.55, 8.24, 123.72 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 27.7: * O HA LEU 67 - HN LEU 67 100.000% *100.0000% (1.00 10.0 3.31 27.70) = 100.000% kept Peak 281 (2.03, 8.24, 123.72 ppm): 16 chemical-shift based assignments, quality = 0.714, support = 0.175, residual support = 0.0263: HB3 GLU- 75 - HN LEU 67 6.250% * 32.2387% (0.49 0.39 0.02) = 32.239% kept HB3 GLU- 45 - HN LEU 67 6.250% * 20.3227% (0.99 0.12 0.02) = 20.323% kept HB3 PRO 31 - HN LEU 67 6.250% * 12.6961% (0.97 0.08 0.02) = 12.696% kept HB2 GLU- 45 - HN LEU 67 6.250% * 6.3286% (0.31 0.12 0.02) = 6.329% kept HB2 LYS+ 44 - HN LEU 67 6.250% * 3.2531% (0.97 0.02 0.21) = 3.253% kept HB3 GLU- 107 - HN LEU 67 6.250% * 3.1117% (0.92 0.02 0.02) = 3.112% kept HB2 PRO 112 - HN LEU 67 6.250% * 3.0231% (0.90 0.02 0.02) = 3.023% kept HB3 PRO 112 - HN LEU 67 6.250% * 2.8156% (0.84 0.02 0.02) = 2.816% kept HG2 PRO 116 - HN LEU 67 6.250% * 2.6992% (0.80 0.02 0.02) = 2.699% kept HB3 LYS+ 110 - HN LEU 67 6.250% * 2.6992% (0.80 0.02 0.02) = 2.699% kept HG2 GLU- 64 - HN LEU 67 6.250% * 2.1806% (0.65 0.02 0.02) = 2.181% kept HB2 GLU- 18 - HN LEU 67 6.250% * 1.9084% (0.57 0.02 0.02) = 1.908% kept HB VAL 62 - HN LEU 67 6.250% * 1.9084% (0.57 0.02 0.02) = 1.908% kept HG3 PRO 86 - HN LEU 67 6.250% * 1.9084% (0.57 0.02 0.02) = 1.908% kept HB VAL 105 - HN LEU 67 6.250% * 1.6408% (0.49 0.02 0.02) = 1.641% kept HG2 PRO 86 - HN LEU 67 6.250% * 1.2651% (0.38 0.02 0.02) = 1.265% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 284 (4.43, 8.03, 123.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 285 (2.93, 8.03, 123.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 286 (0.90, 8.12, 123.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 287 (8.11, 8.12, 123.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 288 (1.98, 8.12, 123.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 289 (7.80, 7.80, 123.35 ppm): 1 diagonal assignment: * HN ALA 93 - HN ALA 93 (0.96) kept Peak 290 (1.37, 7.80, 123.35 ppm): 8 chemical-shift based assignments, quality = 0.708, support = 1.47, residual support = 0.693: * QB ALA 91 - HN ALA 93 12.500% * 44.9935% (0.72 2.35 1.41) = 44.994% kept HB3 LYS+ 20 - HN ALA 93 12.500% * 24.2120% (0.80 1.15 0.17) = 24.212% kept HG LEU 74 - HN ALA 93 12.500% * 7.7373% (0.50 0.58 0.02) = 7.737% kept HD3 LYS+ 20 - HN ALA 93 12.500% * 6.5940% (0.37 0.67 0.17) = 6.594% kept HG13 ILE 19 - HN ALA 93 12.500% * 5.9900% (0.48 0.47 0.02) = 5.990% kept HG2 LYS+ 78 - HN ALA 93 12.500% * 5.9384% (1.00 0.22 0.02) = 5.938% kept QG2 THR 39 - HN ALA 93 12.500% * 3.4690% (0.94 0.14 0.02) = 3.469% kept HG3 ARG+ 22 - HN ALA 93 12.500% * 1.0658% (0.52 0.08 0.02) = 1.066% kept Peak 291 (4.30, 7.80, 123.35 ppm): 5 chemical-shift based assignments, quality = 0.653, support = 0.782, residual support = 0.482: HA LEU 90 - HN ALA 93 20.000% * 86.4046% (0.64 0.90 0.55) = 86.405% kept HA THR 106 - HN ALA 93 20.000% * 5.8550% (0.48 0.08 0.02) = 5.855% kept HA PRO 104 - HN ALA 93 20.000% * 2.9494% (0.99 0.02 0.02) = 2.949% kept HA ILE 29 - HN ALA 93 20.000% * 2.7469% (0.92 0.02 0.02) = 2.747% kept HA PRO 112 - HN ALA 93 20.000% * 2.0440% (0.68 0.02 0.02) = 2.044% kept Reference assignment not found: HA VAL 73 - HN ALA 93 Peak 292 (8.46, 7.80, 123.35 ppm): 5 chemical-shift based assignments, quality = 0.92, support = 2.9, residual support = 13.2: * T HN GLY 92 - HN ALA 93 20.000% * 95.7945% (0.92 10.00 3.01 13.83) = 95.794% kept HN GLU- 107 - HN ALA 93 20.000% * 2.0539% (1.00 1.00 0.40 0.02) = 2.054% kept HN LYS+ 113 - HN ALA 93 20.000% * 2.0340% (0.96 1.00 0.41 0.02) = 2.034% kept HN LEU 74 - HN ALA 93 20.000% * 0.0671% (0.64 1.00 0.02 0.02) = 0.067% HN GLU- 18 - HN ALA 93 20.000% * 0.0505% (0.48 1.00 0.02 0.02) = 0.051% Peak 293 (3.96, 7.80, 123.35 ppm): 8 chemical-shift based assignments, quality = 0.771, support = 1.47, residual support = 4.35: * O HA ALA 93 - HN ALA 93 12.500% * 63.7353% (1.00 10.0 1.00 0.62) = 63.735% kept O HA1 GLY 92 - HN ALA 93 12.500% * 28.3794% (0.22 10.0 2.59 13.83) = 28.379% kept HA LYS+ 44 - HN ALA 93 12.500% * 7.6124% (0.98 1.0 1.22 0.32) = 7.612% kept HB3 SER 77 - HN ALA 93 12.500% * 0.1220% (0.95 1.0 0.02 0.02) = 0.122% HA1 GLY 114 - HN ALA 93 12.500% * 0.0825% (0.64 1.0 0.02 0.02) = 0.082% HB THR 95 - HN ALA 93 12.500% * 0.0284% (0.22 1.0 0.02 0.02) = 0.028% HA VAL 122 - HN ALA 93 12.500% * 0.0223% (0.17 1.0 0.02 0.02) = 0.022% HA ILE 48 - HN ALA 93 12.500% * 0.0178% (0.14 1.0 0.02 0.02) = 0.018% Peak 294 (3.81, 7.80, 123.35 ppm): 7 chemical-shift based assignments, quality = 0.615, support = 2.24, residual support = 12.5: * O HA2 GLY 92 - HN ALA 93 14.286% * 90.1664% (0.60 10.0 2.39 13.83) = 90.166% kept HA GLU- 45 - HN ALA 93 14.286% * 5.7174% (0.99 1.0 0.77 0.44) = 5.717% kept HA LYS+ 44 - HN ALA 93 14.286% * 3.6172% (0.40 1.0 1.22 0.32) = 3.617% kept HB3 SER 41 - HN ALA 93 14.286% * 0.1473% (0.99 1.0 0.02 0.02) = 0.147% HD3 PRO 112 - HN ALA 93 14.286% * 0.1333% (0.89 1.0 0.02 0.02) = 0.133% HD3 PRO 116 - HN ALA 93 14.286% * 0.1190% (0.80 1.0 0.02 0.02) = 0.119% HA ILE 48 - HN ALA 93 14.286% * 0.0993% (0.66 1.0 0.02 0.02) = 0.099% Peak 295 (8.23, 7.80, 123.35 ppm): 9 chemical-shift based assignments, quality = 0.705, support = 1.32, residual support = 0.573: T HN GLU- 45 - HN ALA 93 11.111% * 58.6812% (0.60 10.00 0.70 0.44) = 58.681% kept * HN VAL 94 - HN ALA 93 11.111% * 32.3945% (0.86 1.00 2.72 0.96) = 32.394% kept HN VAL 105 - HN ALA 93 11.111% * 4.7619% (0.83 1.00 0.42 0.02) = 4.762% kept HN SER 49 - HN ALA 93 11.111% * 3.4561% (0.92 1.00 0.27 0.02) = 3.456% kept HN GLY 58 - HN ALA 93 11.111% * 0.2198% (0.80 1.00 0.02 0.02) = 0.220% HN LEU 67 - HN ALA 93 11.111% * 0.1886% (0.68 1.00 0.02 0.02) = 0.189% HN LYS+ 81 - HN ALA 93 11.111% * 0.1886% (0.68 1.00 0.02 0.02) = 0.189% HN LYS+ 117 - HN ALA 93 11.111% * 0.0611% (0.22 1.00 0.02 0.02) = 0.061% HN THR 106 - HN ALA 93 11.111% * 0.0481% (0.17 1.00 0.02 0.02) = 0.048% Peak 296 (4.20, 7.80, 123.35 ppm): 9 chemical-shift based assignments, quality = 0.542, support = 0.784, residual support = 0.168: HA GLU- 109 - HN ALA 93 11.111% * 53.2833% (0.72 0.65 0.10) = 53.283% kept HA LYS+ 44 - HN ALA 93 11.111% * 35.4278% (0.26 1.22 0.32) = 35.428% kept HA LYS+ 110 - HN ALA 93 11.111% * 2.9032% (0.28 0.09 0.02) = 2.903% kept HA GLU- 64 - HN ALA 93 11.111% * 2.2214% (0.99 0.02 0.02) = 2.221% kept HA ASP- 82 - HN ALA 93 11.111% * 2.1202% (0.94 0.02 0.02) = 2.120% kept HA MET 126 - HN ALA 93 11.111% * 1.8721% (0.83 0.02 0.02) = 1.872% kept * HA VAL 73 - HN ALA 93 11.111% * 0.9214% (0.41 0.02 0.02) = 0.921% HB3 SER 49 - HN ALA 93 11.111% * 0.6918% (0.31 0.02 0.02) = 0.692% HA ALA 42 - HN ALA 93 11.111% * 0.5589% (0.25 0.02 0.02) = 0.559% Reference assignment eliminated. 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 = 3.67, residual support = 10.7: * T HN SER 77 - HN LYS+ 78 33.333% * 99.7641% (0.90 10.00 3.68 10.69) = 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): 3 chemical-shift based assignments, quality = 0.922, support = 5.4, residual support = 29.3: * O HB2 LYS+ 78 - HN LYS+ 78 33.333% * 99.8399% (0.92 10.0 5.41 29.38) = 99.840% kept HB3 ASP- 28 - HN LYS+ 78 33.333% * 0.0922% (0.85 1.0 0.02 0.02) = 0.092% HA1 GLY 58 - HN LYS+ 78 33.333% * 0.0679% (0.63 1.0 0.02 0.02) = 0.068% Peak 300 (4.53, 7.59, 122.90 ppm): 6 chemical-shift based assignments, quality = 0.895, support = 4.15, residual support = 29.0: * O HA LYS+ 78 - HN LYS+ 78 16.667% * 94.9826% (0.92 10.0 4.24 29.38) = 94.983% kept HA THR 79 - HN LYS+ 78 16.667% * 4.8212% (0.38 1.0 2.47 22.77) = 4.821% kept HA ALA 103 - HN LYS+ 78 16.667% * 0.0824% (0.80 1.0 0.02 0.02) = 0.082% HA LEU 17 - HN LYS+ 78 16.667% * 0.0426% (0.41 1.0 0.02 0.02) = 0.043% HB THR 46 - HN LYS+ 78 16.667% * 0.0356% (0.35 1.0 0.02 0.02) = 0.036% HA LYS+ 55 - HN LYS+ 78 16.667% * 0.0356% (0.35 1.0 0.02 0.02) = 0.036% Peak 301 (1.62, 7.59, 122.90 ppm): 10 chemical-shift based assignments, quality = 0.887, support = 3.85, residual support = 28.5: * HG3 LYS+ 78 - HN LYS+ 78 10.000% * 96.9019% (0.91 3.97 29.38) = 96.902% kept HB2 LEU 67 - HN LYS+ 78 10.000% * 0.4543% (0.85 0.02 0.02) = 0.454% HG12 ILE 101 - HN LYS+ 78 10.000% * 0.4543% (0.85 0.02 0.02) = 0.454% HB ILE 100 - HN LYS+ 78 10.000% * 0.4543% (0.85 0.02 0.02) = 0.454% HG LEU 23 - HN LYS+ 78 10.000% * 0.4268% (0.80 0.02 0.02) = 0.427% HG2 LYS+ 110 - HN LYS+ 78 10.000% * 0.3761% (0.71 0.02 0.02) = 0.376% HG3 LYS+ 110 - HN LYS+ 78 10.000% * 0.3573% (0.67 0.02 0.02) = 0.357% HB3 LEU 17 - HN LYS+ 78 10.000% * 0.2786% (0.52 0.02 0.02) = 0.279% HD3 LYS+ 32 - HN LYS+ 78 10.000% * 0.2206% (0.41 0.02 0.02) = 0.221% HB3 ARG+ 22 - HN LYS+ 78 10.000% * 0.0759% (0.14 0.02 0.02) = 0.076% Peak 302 (2.15, 7.59, 122.90 ppm): 10 chemical-shift based assignments, quality = 0.843, support = 4.85, residual support = 29.1: * O HB3 LYS+ 78 - HN LYS+ 78 10.000% * 98.9284% (0.85 10.0 4.90 29.38) = 98.928% kept HB2 ASP- 82 - HN LYS+ 78 10.000% * 0.6618% (0.28 1.0 0.40 0.11) = 0.662% HG2 PRO 104 - HN LYS+ 78 10.000% * 0.0858% (0.74 1.0 0.02 0.02) = 0.086% HG3 GLN 102 - HN LYS+ 78 10.000% * 0.0736% (0.63 1.0 0.02 0.02) = 0.074% HB3 GLU- 75 - HN LYS+ 78 10.000% * 0.0633% (0.55 1.0 0.02 0.02) = 0.063% HB VAL 47 - HN LYS+ 78 10.000% * 0.0522% (0.45 1.0 0.02 0.02) = 0.052% HB2 ASP- 28 - HN LYS+ 78 10.000% * 0.0522% (0.45 1.0 0.02 0.02) = 0.052% HG2 GLN 102 - HN LYS+ 78 10.000% * 0.0366% (0.31 1.0 0.02 0.02) = 0.037% HA1 GLY 58 - HN LYS+ 78 10.000% * 0.0275% (0.24 1.0 0.02 0.02) = 0.027% HB3 PRO 104 - HN LYS+ 78 10.000% * 0.0188% (0.16 1.0 0.02 0.02) = 0.019% Peak 303 (1.37, 7.59, 122.90 ppm): 9 chemical-shift based assignments, quality = 0.883, support = 4.07, residual support = 27.9: * HG2 LYS+ 78 - HN LYS+ 78 11.111% * 94.9419% (0.90 4.29 29.38) = 94.942% kept QG2 THR 39 - HN LYS+ 78 11.111% * 2.3416% (0.80 0.12 0.02) = 2.342% kept HG LEU 74 - HN LYS+ 78 11.111% * 1.1717% (0.47 0.10 0.02) = 1.172% kept HB3 LYS+ 20 - HN LYS+ 78 11.111% * 0.4053% (0.83 0.02 0.02) = 0.405% QB ALA 91 - HN LYS+ 78 11.111% * 0.3775% (0.77 0.02 0.02) = 0.378% HG3 ARG+ 22 - HN LYS+ 78 11.111% * 0.2924% (0.60 0.02 0.02) = 0.292% HG13 ILE 19 - HN LYS+ 78 11.111% * 0.2741% (0.56 0.02 0.02) = 0.274% HD3 LYS+ 20 - HN LYS+ 78 11.111% * 0.1257% (0.26 0.02 0.02) = 0.126% HB2 LEU 17 - HN LYS+ 78 11.111% * 0.0697% (0.14 0.02 0.02) = 0.070% Peak 304 (6.73, 7.59, 122.90 ppm): 2 chemical-shift based assignments, quality = 0.82, support = 1.17, residual support = 3.19: * QE TYR 83 - HN LYS+ 78 50.000% * 99.0142% (0.83 1.18 3.22) = 99.014% kept HZ3 TRP 51 - HN LYS+ 78 50.000% * 0.9858% (0.49 0.02 0.02) = 0.986% 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): 5 chemical-shift based assignments, quality = 0.626, support = 1.18, residual support = 0.409: * HA2 GLY 30 - HN PHE 21 20.000% * 53.5048% (0.76 1.35 0.60) = 53.505% kept HA PRO 31 - HN PHE 21 20.000% * 28.2820% (0.45 1.21 0.31) = 28.282% kept HA THR 61 - HN PHE 21 20.000% * 17.3963% (0.53 0.64 0.02) = 17.396% kept HA ASN 119 - HN PHE 21 20.000% * 0.4270% (0.41 0.02 0.02) = 0.427% HA ASN 89 - HN PHE 21 20.000% * 0.3899% (0.37 0.02 0.25) = 0.390% Peak 313 (1.35, 8.94, 123.00 ppm): 7 chemical-shift based assignments, quality = 0.617, support = 1.66, residual support = 4.01: HB3 LYS+ 20 - HN PHE 21 14.286% * 37.4702% (0.45 2.85 4.90) = 37.470% kept HG3 ARG+ 22 - HN PHE 21 14.286% * 27.8890% (0.73 1.31 6.24) = 27.889% kept HG LEU 74 - HN PHE 21 14.286% * 16.0127% (0.58 0.93 2.42) = 16.013% kept HG13 ILE 19 - HN PHE 21 14.286% * 11.4204% (0.76 0.51 0.24) = 11.420% kept HB2 LEU 17 - HN PHE 21 14.286% * 6.8090% (0.98 0.24 0.33) = 6.809% kept QB ALA 91 - HN PHE 21 14.286% * 0.3082% (0.53 0.02 0.02) = 0.308% HG2 LYS+ 78 - HN PHE 21 14.286% * 0.0904% (0.15 0.02 0.02) = 0.090% Reference assignment not found: HG3 LYS+ 20 - HN PHE 21 Peak 314 (9.29, 8.94, 123.00 ppm): 2 chemical-shift based assignments, quality = 0.785, support = 2.32, residual support = 16.8: * T HN ILE 29 - HN PHE 21 50.000% * 90.5961% (0.76 10.00 2.39 18.47) = 90.596% kept HN LEU 23 - HN PHE 21 50.000% * 9.4039% (1.00 1.00 1.59 0.35) = 9.404% kept Peak 315 (2.74, 8.94, 123.00 ppm): 4 chemical-shift based assignments, quality = 0.982, support = 2.62, residual support = 20.4: * O HB3 PHE 21 - HN PHE 21 25.000% * 89.6921% (1.00 10.0 2.69 22.28) = 89.692% kept HE3 LYS+ 20 - HN PHE 21 25.000% * 9.3561% (0.92 1.0 2.26 4.90) = 9.356% kept HA1 GLY 58 - HN PHE 21 25.000% * 0.8670% (0.95 1.0 0.20 0.02) = 0.867% HB3 ASP- 115 - HN PHE 21 25.000% * 0.0848% (0.94 1.0 0.02 0.02) = 0.085% Peak 316 (6.89, 8.94, 123.00 ppm): 2 chemical-shift based assignments, quality = 0.977, support = 3.56, residual support = 21.8: * QD PHE 21 - HN PHE 21 50.000% * 98.0421% (0.98 3.63 22.28) = 98.042% kept HD21 ASN 119 - HN PHE 21 50.000% * 1.9579% (0.87 0.08 0.02) = 1.958% kept Peak 317 (0.98, 8.94, 123.00 ppm): 3 chemical-shift based assignments, quality = 0.736, support = 0.875, residual support = 2.21: HG LEU 74 - HN PHE 21 33.333% * 91.3101% (0.79 0.93 2.42) = 91.310% kept QG2 VAL 99 - HN PHE 21 33.333% * 6.3160% (0.17 0.29 0.02) = 6.316% kept QG1 VAL 99 - HN PHE 21 33.333% * 2.3739% (0.14 0.14 0.02) = 2.374% kept Peak 318 (5.26, 8.94, 123.00 ppm): 1 chemical-shift based assignment, quality = 0.922, support = 2.09, residual support = 22.3: * O HA PHE 21 - HN PHE 21 100.000% *100.0000% (0.92 10.0 2.09 22.28) = 100.000% kept Peak 319 (1.80, 8.20, 122.83 ppm): 13 chemical-shift based assignments, quality = 0.171, support = 3.9, residual support = 26.4: * O HB2 LYS+ 117 - HN LYS+ 117 7.692% * 35.2040% (0.19 10.0 3.98 32.78) = 35.204% kept O HB3 LYS+ 117 - HN LYS+ 117 7.692% * 35.2040% (0.19 10.0 3.92 32.78) = 35.204% kept O HB3 PRO 116 - HN LYS+ 117 7.692% * 26.9638% (0.14 10.0 3.70 9.34) = 26.964% kept HD3 LYS+ 117 - HN LYS+ 117 7.692% * 2.4029% (0.05 1.0 4.90 32.78) = 2.403% kept HB3 LYS+ 108 - HN LYS+ 117 7.692% * 0.0353% (0.19 1.0 0.02 0.39) = 0.035% HB3 LYS+ 113 - HN LYS+ 117 7.692% * 0.0352% (0.19 1.0 0.02 0.02) = 0.035% HB3 LYS+ 44 - HN LYS+ 117 7.692% * 0.0340% (0.18 1.0 0.02 0.02) = 0.034% HB3 LYS+ 63 - HN LYS+ 117 7.692% * 0.0326% (0.17 1.0 0.02 0.02) = 0.033% HG2 PRO 31 - HN LYS+ 117 7.692% * 0.0283% (0.15 1.0 0.02 0.02) = 0.028% HB2 GLU- 109 - HN LYS+ 117 7.692% * 0.0200% (0.11 1.0 0.02 0.02) = 0.020% HD3 LYS+ 72 - HN LYS+ 117 7.692% * 0.0158% (0.08 1.0 0.02 0.02) = 0.016% HB3 GLU- 18 - HN LYS+ 117 7.692% * 0.0120% (0.06 1.0 0.02 0.02) = 0.012% HB3 ARG+ 53 - HN LYS+ 117 7.692% * 0.0120% (0.06 1.0 0.02 0.02) = 0.012% Peak 320 (8.21, 8.20, 122.83 ppm): 1 diagonal assignment: * HN LYS+ 117 - HN LYS+ 117 (0.17) kept Peak 321 (0.86, 8.20, 122.83 ppm): 12 chemical-shift based assignments, quality = 0.138, support = 3.33, residual support = 30.9: HG3 LYS+ 117 - HN LYS+ 117 8.333% * 51.7136% (0.16 3.52 32.78) = 51.714% kept * HG2 LYS+ 117 - HN LYS+ 117 8.333% * 42.5292% (0.13 3.52 32.78) = 42.529% kept QD1 ILE 29 - HN LYS+ 117 8.333% * 2.4218% (0.05 0.55 0.23) = 2.422% kept QG1 VAL 40 - HN LYS+ 117 8.333% * 1.6621% (0.07 0.25 0.02) = 1.662% kept HB ILE 101 - HN LYS+ 117 8.333% * 0.3329% (0.18 0.02 0.02) = 0.333% QD1 LEU 90 - HN LYS+ 117 8.333% * 0.3329% (0.18 0.02 1.26) = 0.333% QG2 ILE 100 - HN LYS+ 117 8.333% * 0.3249% (0.17 0.02 0.02) = 0.325% QG2 VAL 122 - HN LYS+ 117 8.333% * 0.2277% (0.12 0.02 0.02) = 0.228% HG LEU 74 - HN LYS+ 117 8.333% * 0.1565% (0.08 0.02 0.02) = 0.156% QG2 VAL 125 - HN LYS+ 117 8.333% * 0.1201% (0.06 0.02 0.02) = 0.120% QG2 VAL 47 - HN LYS+ 117 8.333% * 0.1086% (0.06 0.02 0.02) = 0.109% QG1 VAL 122 - HN LYS+ 117 8.333% * 0.0697% (0.04 0.02 0.02) = 0.070% Peak 322 (1.75, 8.36, 122.79 ppm): 6 chemical-shift based assignments, quality = 0.668, support = 0.02, residual support = 0.0889: HB VAL 94 - HN LYS+ 108 16.667% * 30.2057% (0.92 0.02 0.25) = 30.206% kept HB2 ARG+ 84 - HN LYS+ 108 16.667% * 27.3313% (0.84 0.02 0.02) = 27.331% kept HB3 GLU- 50 - HN LYS+ 108 16.667% * 17.2155% (0.53 0.02 0.02) = 17.215% kept HB3 GLU- 18 - HN LYS+ 108 16.667% * 10.0994% (0.31 0.02 0.02) = 10.099% kept HB3 ARG+ 53 - HN LYS+ 108 16.667% * 10.0994% (0.31 0.02 0.02) = 10.099% kept HB ILE 48 - HN LYS+ 108 16.667% * 5.0488% (0.15 0.02 0.02) = 5.049% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 323 (4.25, 8.36, 122.79 ppm): 17 chemical-shift based assignments, quality = 0.993, support = 3.07, residual support = 17.5: * O HA LYS+ 108 - HN LYS+ 108 5.882% * 99.2963% (1.00 10.0 3.09 17.62) = 99.296% kept HA PRO 59 - HN LYS+ 108 5.882% * 0.0991% (1.00 1.0 0.02 0.02) = 0.099% HA2 GLY 114 - HN LYS+ 108 5.882% * 0.0891% (0.90 1.0 0.02 0.15) = 0.089% HA GLU- 56 - HN LYS+ 108 5.882% * 0.0795% (0.80 1.0 0.02 0.02) = 0.080% HA GLU- 54 - HN LYS+ 108 5.882% * 0.0682% (0.69 1.0 0.02 0.02) = 0.068% HA SER 49 - HN LYS+ 108 5.882% * 0.0602% (0.61 1.0 0.02 0.02) = 0.060% HA GLU- 75 - HN LYS+ 108 5.882% * 0.0562% (0.57 1.0 0.02 0.02) = 0.056% HA GLU- 18 - HN LYS+ 108 5.882% * 0.0562% (0.57 1.0 0.02 0.02) = 0.056% HA ARG+ 84 - HN LYS+ 108 5.882% * 0.0276% (0.28 1.0 0.02 0.02) = 0.028% HA VAL 65 - HN LYS+ 108 5.882% * 0.0248% (0.25 1.0 0.02 0.10) = 0.025% HA ALA 42 - HN LYS+ 108 5.882% * 0.0248% (0.25 1.0 0.02 0.02) = 0.025% HA LYS+ 110 - HN LYS+ 108 5.882% * 0.0221% (0.22 1.0 0.02 0.02) = 0.022% HA SER 85 - HN LYS+ 108 5.882% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% HA PRO 52 - HN LYS+ 108 5.882% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% HD3 PRO 59 - HN LYS+ 108 5.882% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% HB3 SER 49 - HN LYS+ 108 5.882% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% HA ALA 91 - HN LYS+ 108 5.882% * 0.0174% (0.18 1.0 0.02 0.02) = 0.017% Peak 324 (4.74, 8.36, 122.79 ppm): 4 chemical-shift based assignments, quality = 0.538, support = 0.362, residual support = 0.14: HA MET 118 - HN LYS+ 108 25.000% * 55.8709% (0.69 0.32 0.15) = 55.871% kept HA2 GLY 30 - HN LYS+ 108 25.000% * 37.9382% (0.31 0.48 0.14) = 37.938% kept HA VAL 40 - HN LYS+ 108 25.000% * 3.0955% (0.61 0.02 0.02) = 3.095% kept HA PRO 31 - HN LYS+ 108 25.000% * 3.0955% (0.61 0.02 0.02) = 3.095% kept Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 325 (1.42, 8.36, 122.79 ppm): 11 chemical-shift based assignments, quality = 0.943, support = 2.07, residual support = 16.6: * HG3 LYS+ 108 - HN LYS+ 108 9.091% * 94.2870% (1.00 2.20 17.62) = 94.287% kept HD3 LYS+ 44 - HN LYS+ 108 9.091% * 0.8590% (1.00 0.02 0.02) = 0.859% HD3 LYS+ 113 - HN LYS+ 108 9.091% * 0.7452% (0.87 0.02 0.02) = 0.745% HG3 LYS+ 55 - HN LYS+ 108 9.091% * 0.7175% (0.84 0.02 0.02) = 0.718% QB ALA 37 - HN LYS+ 108 9.091% * 0.6565% (0.76 0.02 0.02) = 0.657% QG2 THR 38 - HN LYS+ 108 9.091% * 0.6565% (0.76 0.02 0.02) = 0.657% QB ALA 42 - HN LYS+ 108 9.091% * 0.5901% (0.69 0.02 0.02) = 0.590% HB3 LYS+ 60 - HN LYS+ 108 9.091% * 0.5210% (0.61 0.02 0.02) = 0.521% HG LEU 90 - HN LYS+ 108 9.091% * 0.4520% (0.53 0.02 0.02) = 0.452% HG LEU 74 - HN LYS+ 108 9.091% * 0.3239% (0.38 0.02 0.02) = 0.324% HD3 LYS+ 20 - HN LYS+ 108 9.091% * 0.1913% (0.22 0.02 0.02) = 0.191% 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): 13 chemical-shift based assignments, quality = 0.433, support = 2.37, residual support = 16.2: * O HB2 LYS+ 108 - HN LYS+ 108 7.692% * 90.7458% (0.45 10.0 2.47 17.62) = 90.746% kept HB3 GLU- 107 - HN LYS+ 108 7.692% * 4.5696% (0.20 1.0 2.28 4.22) = 4.570% kept HB3 PRO 31 - HN LYS+ 108 7.692% * 3.2498% (0.53 1.0 0.61 0.02) = 3.250% kept HG2 PRO 86 - HN LYS+ 108 7.692% * 0.2024% (1.00 1.0 0.02 0.02) = 0.202% HB VAL 105 - HN LYS+ 108 7.692% * 0.1984% (0.98 1.0 0.02 0.02) = 0.198% HB2 GLU- 18 - HN LYS+ 108 7.692% * 0.1915% (0.95 1.0 0.02 0.02) = 0.191% HG2 GLU- 64 - HN LYS+ 108 7.692% * 0.1815% (0.90 1.0 0.02 0.02) = 0.182% HG2 PRO 116 - HN LYS+ 108 7.692% * 0.1547% (0.76 1.0 0.02 0.30) = 0.155% HB3 PRO 112 - HN LYS+ 108 7.692% * 0.1470% (0.73 1.0 0.02 0.02) = 0.147% HB2 PRO 112 - HN LYS+ 108 7.692% * 0.1309% (0.65 1.0 0.02 0.02) = 0.131% HB2 LYS+ 44 - HN LYS+ 108 7.692% * 0.1065% (0.53 1.0 0.02 0.02) = 0.106% HB3 GLU- 45 - HN LYS+ 108 7.692% * 0.0625% (0.31 1.0 0.02 0.02) = 0.062% HB3 GLU- 75 - HN LYS+ 108 7.692% * 0.0595% (0.29 1.0 0.02 0.02) = 0.059% 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): 2 diagonal assignments: * HN VAL 122 - HN VAL 122 (0.73) kept HN CYS 121 - HN CYS 121 (0.19) kept Peak 333 (1.95, 8.11, 122.55 ppm): 22 chemical-shift based assignments, quality = 0.638, support = 2.26, residual support = 14.9: * O HB VAL 122 - HN VAL 122 4.545% * 82.5137% (0.70 10.0 2.33 17.25) = 82.514% kept HB VAL 122 - HN CYS 121 4.545% * 7.0032% (0.33 1.0 3.65 9.48) = 7.003% kept HB2 GLU- 75 - HN VAL 122 4.545% * 2.6584% (0.50 1.0 0.91 0.02) = 2.658% kept HB VAL 73 - HN VAL 122 4.545% * 2.4237% (0.41 1.0 1.00 0.37) = 2.424% kept HG3 PRO 104 - HN VAL 122 4.545% * 2.1204% (0.36 1.0 1.02 0.42) = 2.120% kept HB2 GLU- 75 - HN CYS 121 4.545% * 1.1994% (0.23 1.0 0.88 0.02) = 1.199% kept HG3 PRO 104 - HN CYS 121 4.545% * 0.7913% (0.17 1.0 0.82 0.26) = 0.791% HB VAL 73 - HN CYS 121 4.545% * 0.7005% (0.19 1.0 0.62 0.30) = 0.700% HG3 PRO 116 - HN VAL 122 4.545% * 0.0853% (0.73 1.0 0.02 0.02) = 0.085% HB3 GLU- 109 - HN VAL 122 4.545% * 0.0809% (0.69 1.0 0.02 0.02) = 0.081% HG3 PRO 31 - HN VAL 122 4.545% * 0.0767% (0.65 1.0 0.02 0.02) = 0.077% HB3 LYS+ 55 - HN VAL 122 4.545% * 0.0742% (0.63 1.0 0.02 0.02) = 0.074% HG3 PRO 116 - HN CYS 121 4.545% * 0.0396% (0.34 1.0 0.02 0.02) = 0.040% HG2 PRO 112 - HN VAL 122 4.545% * 0.0383% (0.33 1.0 0.02 0.02) = 0.038% HB3 GLU- 109 - HN CYS 121 4.545% * 0.0376% (0.32 1.0 0.02 0.02) = 0.038% HG3 PRO 31 - HN CYS 121 4.545% * 0.0356% (0.30 1.0 0.02 0.02) = 0.036% HB3 LYS+ 55 - HN CYS 121 4.545% * 0.0345% (0.29 1.0 0.02 0.02) = 0.034% HB2 PRO 116 - HN VAL 122 4.545% * 0.0321% (0.27 1.0 0.02 0.02) = 0.032% HG2 PRO 112 - HN CYS 121 4.545% * 0.0178% (0.15 1.0 0.02 0.02) = 0.018% HB ILE 29 - HN VAL 122 4.545% * 0.0150% (0.13 1.0 0.02 0.02) = 0.015% HB2 PRO 116 - HN CYS 121 4.545% * 0.0149% (0.13 1.0 0.02 0.02) = 0.015% HB ILE 29 - HN CYS 121 4.545% * 0.0070% (0.06 1.0 0.02 0.02) = 0.007% Peak 334 (0.88, 8.11, 122.55 ppm): 30 chemical-shift based assignments, quality = 0.494, support = 2.44, residual support = 12.6: * QG1 VAL 122 - HN VAL 122 3.333% * 29.5641% (0.70 2.83 17.25) = 29.564% kept QG2 VAL 122 - HN VAL 122 3.333% * 27.3544% (0.61 3.02 17.25) = 27.354% kept HG LEU 74 - HN VAL 122 3.333% * 11.1927% (0.37 2.03 5.46) = 11.193% kept QG1 VAL 122 - HN CYS 121 3.333% * 10.7143% (0.33 2.21 9.48) = 10.714% kept QG2 VAL 122 - HN CYS 121 3.333% * 9.1081% (0.28 2.17 9.48) = 9.108% kept HG LEU 74 - HN CYS 121 3.333% * 5.3330% (0.17 2.09 5.25) = 5.333% kept QG2 VAL 105 - HN VAL 122 3.333% * 2.1751% (0.36 0.41 0.02) = 2.175% kept HG13 ILE 68 - HN VAL 122 3.333% * 0.7969% (0.23 0.24 0.23) = 0.797% QG2 VAL 105 - HN CYS 121 3.333% * 0.6340% (0.17 0.26 0.02) = 0.634% QG2 ILE 100 - HN VAL 122 3.333% * 0.5390% (0.38 0.09 0.02) = 0.539% QD1 LEU 90 - HN CYS 121 3.333% * 0.3734% (0.17 0.15 0.02) = 0.373% QD1 LEU 67 - HN VAL 122 3.333% * 0.3064% (0.27 0.08 0.02) = 0.306% QG2 VAL 47 - HN VAL 122 3.333% * 0.2166% (0.73 0.02 0.02) = 0.217% QG2 VAL 125 - HN VAL 122 3.333% * 0.2161% (0.73 0.02 0.02) = 0.216% QG1 VAL 40 - HN VAL 122 3.333% * 0.2147% (0.72 0.02 0.02) = 0.215% QG2 ILE 100 - HN CYS 121 3.333% * 0.2044% (0.18 0.08 0.02) = 0.204% QG1 VAL 80 - HN VAL 122 3.333% * 0.1879% (0.63 0.02 0.02) = 0.188% QD1 LEU 90 - HN VAL 122 3.333% * 0.1054% (0.36 0.02 0.02) = 0.105% QG2 VAL 47 - HN CYS 121 3.333% * 0.1007% (0.34 0.02 0.02) = 0.101% QG2 VAL 125 - HN CYS 121 3.333% * 0.1004% (0.34 0.02 0.02) = 0.100% QG1 VAL 40 - HN CYS 121 3.333% * 0.0998% (0.34 0.02 0.02) = 0.100% QG1 VAL 47 - HN VAL 122 3.333% * 0.0971% (0.33 0.02 0.02) = 0.097% QG1 VAL 80 - HN CYS 121 3.333% * 0.0873% (0.29 0.02 0.02) = 0.087% QG2 VAL 87 - HN VAL 122 3.333% * 0.0739% (0.25 0.02 0.02) = 0.074% QG1 VAL 47 - HN CYS 121 3.333% * 0.0451% (0.15 0.02 0.02) = 0.045% HB ILE 101 - HN VAL 122 3.333% * 0.0379% (0.13 0.02 0.02) = 0.038% QD1 LEU 67 - HN CYS 121 3.333% * 0.0378% (0.13 0.02 0.02) = 0.038% QG2 VAL 87 - HN CYS 121 3.333% * 0.0343% (0.12 0.02 0.02) = 0.034% HG13 ILE 68 - HN CYS 121 3.333% * 0.0311% (0.10 0.02 0.02) = 0.031% HB ILE 101 - HN CYS 121 3.333% * 0.0176% (0.06 0.02 0.02) = 0.018% Peak 335 (3.93, 8.11, 122.55 ppm): 20 chemical-shift based assignments, quality = 0.604, support = 2.23, residual support = 14.6: O HA VAL 122 - HN VAL 122 5.000% * 56.9080% (0.73 10.0 2.33 17.25) = 56.908% kept O HB3 CYS 121 - HN CYS 121 5.000% * 23.7440% (0.33 10.0 1.83 13.84) = 23.744% kept * HB3 CYS 121 - HN VAL 122 5.000% * 7.6895% (0.72 1.0 2.76 9.48) = 7.690% kept HA LEU 74 - HN VAL 122 5.000% * 5.0639% (0.67 1.0 1.93 5.46) = 5.064% kept HA VAL 122 - HN CYS 121 5.000% * 3.8936% (0.34 1.0 2.95 9.48) = 3.894% kept HA LEU 74 - HN CYS 121 5.000% * 2.3819% (0.31 1.0 1.95 5.25) = 2.382% kept HA LYS+ 44 - HN VAL 122 5.000% * 0.0523% (0.67 1.0 0.02 0.02) = 0.052% HB THR 96 - HN VAL 122 5.000% * 0.0494% (0.63 1.0 0.02 0.02) = 0.049% HB3 SER 77 - HN VAL 122 5.000% * 0.0419% (0.54 1.0 0.02 0.02) = 0.042% HA1 GLY 114 - HN VAL 122 5.000% * 0.0368% (0.47 1.0 0.02 0.02) = 0.037% HA LYS+ 44 - HN CYS 121 5.000% * 0.0243% (0.31 1.0 0.02 0.02) = 0.024% HB THR 96 - HN CYS 121 5.000% * 0.0229% (0.29 1.0 0.02 0.02) = 0.023% HB3 SER 77 - HN CYS 121 5.000% * 0.0195% (0.25 1.0 0.02 0.02) = 0.019% HA1 GLY 114 - HN CYS 121 5.000% * 0.0171% (0.22 1.0 0.02 0.02) = 0.017% HB2 SER 77 - HN VAL 122 5.000% * 0.0158% (0.20 1.0 0.02 0.02) = 0.016% HA ILE 48 - HN VAL 122 5.000% * 0.0117% (0.15 1.0 0.02 0.02) = 0.012% HA ALA 93 - HN VAL 122 5.000% * 0.0100% (0.13 1.0 0.02 0.02) = 0.010% HB2 SER 77 - HN CYS 121 5.000% * 0.0074% (0.09 1.0 0.02 0.02) = 0.007% HA ILE 48 - HN CYS 121 5.000% * 0.0054% (0.07 1.0 0.02 0.02) = 0.005% HA ALA 93 - HN CYS 121 5.000% * 0.0046% (0.06 1.0 0.02 0.02) = 0.005% Peak 336 (2.36, 8.11, 122.55 ppm): 10 chemical-shift based assignments, quality = 0.415, support = 2.12, residual support = 12.6: O HB2 CYS 121 - HN CYS 121 10.000% * 73.7185% (0.32 10.0 1.83 13.84) = 73.719% kept * HB2 CYS 121 - HN VAL 122 10.000% * 25.8071% (0.69 1.0 2.98 9.48) = 25.807% kept HG3 GLU- 50 - HN VAL 122 10.000% * 0.1399% (0.56 1.0 0.02 0.02) = 0.140% HA1 GLY 58 - HN VAL 122 10.000% * 0.1150% (0.46 1.0 0.02 0.02) = 0.115% HG3 GLU- 50 - HN CYS 121 10.000% * 0.0650% (0.26 1.0 0.02 0.02) = 0.065% HA1 GLY 58 - HN CYS 121 10.000% * 0.0534% (0.21 1.0 0.02 0.02) = 0.053% HB2 LYS+ 78 - HN VAL 122 10.000% * 0.0408% (0.16 1.0 0.02 0.02) = 0.041% HB2 TYR 83 - HN VAL 122 10.000% * 0.0282% (0.11 1.0 0.02 0.89) = 0.028% HB2 LYS+ 78 - HN CYS 121 10.000% * 0.0189% (0.08 1.0 0.02 0.02) = 0.019% HB2 TYR 83 - HN CYS 121 10.000% * 0.0131% (0.05 1.0 0.02 0.41) = 0.013% Peak 337 (2.18, 8.11, 122.55 ppm): 22 chemical-shift based assignments, quality = 0.469, support = 0.667, residual support = 0.215: HG2 PRO 104 - HN VAL 122 4.545% * 19.9498% (0.53 0.85 0.42) = 19.950% kept HB2 ASP- 82 - HN VAL 122 4.545% * 17.7208% (0.73 0.55 0.02) = 17.721% kept HB3 PRO 104 - HN VAL 122 4.545% * 17.6098% (0.67 0.59 0.42) = 17.610% kept HB3 PRO 104 - HN CYS 121 4.545% * 10.3290% (0.31 0.75 0.26) = 10.329% kept HB3 GLU- 75 - HN VAL 122 4.545% * 10.2517% (0.27 0.86 0.02) = 10.252% kept HG2 PRO 104 - HN CYS 121 4.545% * 8.0388% (0.25 0.74 0.26) = 8.039% kept HB2 ASP- 82 - HN CYS 121 4.545% * 6.5772% (0.34 0.44 0.02) = 6.577% kept HB3 GLU- 75 - HN CYS 121 4.545% * 4.8337% (0.13 0.87 0.02) = 4.834% kept HB VAL 99 - HN VAL 122 4.545% * 1.6137% (0.47 0.08 0.02) = 1.614% kept HB VAL 99 - HN CYS 121 4.545% * 0.9188% (0.22 0.09 0.02) = 0.919% HG2 GLN 102 - HN VAL 122 4.545% * 0.6463% (0.73 0.02 0.02) = 0.646% HG2 GLN 102 - HN CYS 121 4.545% * 0.3003% (0.34 0.02 0.02) = 0.300% HG2 MET 126 - HN VAL 122 4.545% * 0.2657% (0.30 0.02 0.02) = 0.266% HA1 GLY 58 - HN VAL 122 4.545% * 0.1865% (0.21 0.02 0.02) = 0.187% HB2 LYS+ 113 - HN VAL 122 4.545% * 0.1612% (0.18 0.02 0.02) = 0.161% HG2 MET 126 - HN CYS 121 4.545% * 0.1235% (0.14 0.02 0.02) = 0.123% HB3 LYS+ 78 - HN VAL 122 4.545% * 0.1132% (0.13 0.02 0.02) = 0.113% HG3 GLU- 54 - HN VAL 122 4.545% * 0.0997% (0.11 0.02 0.02) = 0.100% HA1 GLY 58 - HN CYS 121 4.545% * 0.0867% (0.10 0.02 0.02) = 0.087% HB2 LYS+ 113 - HN CYS 121 4.545% * 0.0749% (0.08 0.02 0.02) = 0.075% HB3 LYS+ 78 - HN CYS 121 4.545% * 0.0526% (0.06 0.02 0.02) = 0.053% HG3 GLU- 54 - HN CYS 121 4.545% * 0.0463% (0.05 0.02 0.02) = 0.046% Peak 338 (4.42, 8.11, 122.55 ppm): 14 chemical-shift based assignments, quality = 0.597, support = 2.07, residual support = 10.9: * O HA CYS 121 - HN VAL 122 7.143% * 66.4111% (0.73 10.0 1.86 9.48) = 66.411% kept O HA CYS 121 - HN CYS 121 7.143% * 33.1984% (0.34 10.0 2.52 13.84) = 33.198% kept HA LYS+ 66 - HN VAL 122 7.143% * 0.0713% (0.73 1.0 0.02 0.02) = 0.071% HA THR 24 - HN VAL 122 7.143% * 0.0620% (0.63 1.0 0.02 0.02) = 0.062% HA LYS+ 111 - HN VAL 122 7.143% * 0.0519% (0.53 1.0 0.02 0.02) = 0.052% HB THR 24 - HN VAL 122 7.143% * 0.0491% (0.50 1.0 0.02 0.02) = 0.049% HA LYS+ 66 - HN CYS 121 7.143% * 0.0331% (0.34 1.0 0.02 0.02) = 0.033% HA THR 24 - HN CYS 121 7.143% * 0.0288% (0.29 1.0 0.02 0.02) = 0.029% HA LYS+ 111 - HN CYS 121 7.143% * 0.0241% (0.25 1.0 0.02 0.02) = 0.024% HB THR 24 - HN CYS 121 7.143% * 0.0228% (0.23 1.0 0.02 0.02) = 0.023% HA THR 95 - HN VAL 122 7.143% * 0.0199% (0.20 1.0 0.02 0.02) = 0.020% HA SER 88 - HN VAL 122 7.143% * 0.0125% (0.13 1.0 0.02 0.02) = 0.013% HA THR 95 - HN CYS 121 7.143% * 0.0092% (0.09 1.0 0.02 0.02) = 0.009% HA SER 88 - HN CYS 121 7.143% * 0.0058% (0.06 1.0 0.02 0.02) = 0.006% Peak 339 (1.18, 8.11, 122.55 ppm): 12 chemical-shift based assignments, quality = 0.567, support = 1.87, residual support = 4.83: HG LEU 74 - HN VAL 122 8.333% * 30.1712% (0.71 2.03 5.46) = 30.171% kept HB2 LEU 74 - HN VAL 122 8.333% * 29.9951% (0.72 1.99 5.46) = 29.995% kept HB2 LEU 74 - HN CYS 121 8.333% * 14.6931% (0.34 2.10 5.25) = 14.693% kept HG LEU 74 - HN CYS 121 8.333% * 14.3757% (0.33 2.09 5.25) = 14.376% kept HB ILE 68 - HN VAL 122 8.333% * 6.4313% (0.50 0.62 0.23) = 6.431% kept HB ILE 68 - HN CYS 121 8.333% * 2.7081% (0.23 0.56 0.02) = 2.708% kept QG2 THR 106 - HN CYS 121 8.333% * 0.6043% (0.32 0.09 0.02) = 0.604% HB3 LYS+ 66 - HN VAL 122 8.333% * 0.3038% (0.73 0.02 0.02) = 0.304% QG2 THR 106 - HN VAL 122 8.333% * 0.2880% (0.69 0.02 0.02) = 0.288% HG3 PRO 59 - HN VAL 122 8.333% * 0.1969% (0.47 0.02 0.02) = 0.197% HB3 LYS+ 66 - HN CYS 121 8.333% * 0.1411% (0.34 0.02 0.02) = 0.141% HG3 PRO 59 - HN CYS 121 8.333% * 0.0915% (0.22 0.02 0.02) = 0.092% Peak 340 (8.18, 8.18, 122.72 ppm): 1 diagonal assignment: * HN LYS+ 117 - HN LYS+ 117 (0.09) kept Peak 341 (0.87, 8.18, 122.72 ppm): 12 chemical-shift based assignments, quality = 0.0828, support = 3.12, residual support = 28.9: * HG3 LYS+ 117 - HN LYS+ 117 8.333% * 52.5333% (0.09 3.52 32.78) = 52.533% kept HG2 LYS+ 117 - HN LYS+ 117 8.333% * 35.5295% (0.06 3.52 32.78) = 35.529% kept QG1 VAL 40 - HN LYS+ 117 8.333% * 7.3190% (0.18 0.25 0.02) = 7.319% kept QG2 VAL 122 - HN LYS+ 117 8.333% * 0.7120% (0.22 0.02 0.02) = 0.712% QG2 ILE 100 - HN LYS+ 117 8.333% * 0.6872% (0.21 0.02 0.02) = 0.687% QD1 LEU 90 - HN LYS+ 117 8.333% * 0.6706% (0.20 0.02 1.26) = 0.671% QG2 VAL 125 - HN LYS+ 117 8.333% * 0.5551% (0.17 0.02 0.02) = 0.555% QG2 VAL 47 - HN LYS+ 117 8.333% * 0.5275% (0.16 0.02 0.02) = 0.527% QG1 VAL 122 - HN LYS+ 117 8.333% * 0.4113% (0.13 0.02 0.02) = 0.411% HB ILE 101 - HN LYS+ 117 8.333% * 0.4113% (0.13 0.02 0.02) = 0.411% HG LEU 74 - HN LYS+ 117 8.333% * 0.3447% (0.11 0.02 0.02) = 0.345% QG1 VAL 80 - HN LYS+ 117 8.333% * 0.2986% (0.09 0.02 0.02) = 0.299% Peak 342 (4.67, 8.11, 122.75 ppm): 14 chemical-shift based assignments, quality = 0.232, support = 1.13, residual support = 0.744: O HA LYS+ 120 - HN CYS 121 7.143% * 68.5620% (0.14 10.0 1.34 0.92) = 68.562% kept HA LYS+ 120 - HN VAL 122 7.143% * 14.9956% (0.43 1.0 0.98 0.13) = 14.996% kept HA TYR 83 - HN VAL 122 7.143% * 9.7617% (0.62 1.0 0.44 0.89) = 9.762% kept HA ASN 89 - HN CYS 121 7.143% * 2.7445% (0.16 1.0 0.48 0.02) = 2.744% kept HA TYR 83 - HN CYS 121 7.143% * 2.1659% (0.21 1.0 0.29 0.41) = 2.166% kept HA ASN 89 - HN VAL 122 7.143% * 0.3412% (0.48 1.0 0.02 0.02) = 0.341% HA ASN 119 - HN VAL 122 7.143% * 0.3242% (0.45 1.0 0.02 0.02) = 0.324% HA ASP- 36 - HN VAL 122 7.143% * 0.3242% (0.45 1.0 0.02 0.02) = 0.324% HA THR 61 - HN VAL 122 7.143% * 0.2708% (0.38 1.0 0.02 0.02) = 0.271% HA LYS+ 20 - HN VAL 122 7.143% * 0.1523% (0.21 1.0 0.02 0.02) = 0.152% HA ASN 119 - HN CYS 121 7.143% * 0.1082% (0.15 1.0 0.02 0.02) = 0.108% HA ASP- 36 - HN CYS 121 7.143% * 0.1082% (0.15 1.0 0.02 0.02) = 0.108% HA THR 61 - HN CYS 121 7.143% * 0.0904% (0.13 1.0 0.02 0.02) = 0.090% HA LYS+ 20 - HN CYS 121 7.143% * 0.0508% (0.07 1.0 0.02 0.02) = 0.051% Peak 343 (8.10, 8.11, 122.75 ppm): 2 diagonal assignments: * HN VAL 122 - HN VAL 122 (0.62) kept HN CYS 121 - HN CYS 121 (0.12) kept Peak 344 (0.89, 8.11, 122.75 ppm): 28 chemical-shift based assignments, quality = 0.413, support = 2.43, residual support = 12.6: * QG1 VAL 122 - HN VAL 122 3.571% * 34.3601% (0.62 2.83 17.25) = 34.360% kept QG2 VAL 122 - HN VAL 122 3.571% * 25.2317% (0.43 3.02 17.25) = 25.232% kept HG LEU 74 - HN VAL 122 3.571% * 12.8325% (0.32 2.03 5.46) = 12.832% kept QG1 VAL 122 - HN CYS 121 3.571% * 8.9429% (0.21 2.21 9.48) = 8.943% kept QG2 VAL 122 - HN CYS 121 3.571% * 6.0336% (0.14 2.17 9.48) = 6.034% kept HG LEU 74 - HN CYS 121 3.571% * 4.3911% (0.11 2.09 5.25) = 4.391% kept QG2 VAL 105 - HN VAL 122 3.571% * 3.2423% (0.40 0.41 0.02) = 3.242% kept HG13 ILE 68 - HN VAL 122 3.571% * 1.2984% (0.28 0.24 0.23) = 1.298% kept QG2 VAL 105 - HN CYS 121 3.571% * 0.6788% (0.13 0.26 0.02) = 0.679% QD1 LEU 67 - HN VAL 122 3.571% * 0.4818% (0.33 0.08 0.02) = 0.482% QG2 ILE 100 - HN VAL 122 3.571% * 0.4313% (0.23 0.09 0.02) = 0.431% QG1 VAL 80 - HN VAL 122 3.571% * 0.2345% (0.60 0.02 0.02) = 0.234% QG2 VAL 47 - HN VAL 122 3.571% * 0.2345% (0.60 0.02 0.02) = 0.234% QG2 VAL 125 - HN VAL 122 3.571% * 0.2298% (0.59 0.02 0.02) = 0.230% QG1 VAL 40 - HN VAL 122 3.571% * 0.2243% (0.58 0.02 0.02) = 0.224% QD1 LEU 90 - HN CYS 121 3.571% * 0.2108% (0.07 0.15 0.02) = 0.211% QG1 VAL 47 - HN VAL 122 3.571% * 0.1474% (0.38 0.02 0.02) = 0.147% QG2 VAL 87 - HN VAL 122 3.571% * 0.1183% (0.30 0.02 0.02) = 0.118% QG2 ILE 100 - HN CYS 121 3.571% * 0.1175% (0.08 0.08 0.02) = 0.117% QD1 LEU 90 - HN VAL 122 3.571% * 0.0829% (0.21 0.02 0.02) = 0.083% QG1 VAL 80 - HN CYS 121 3.571% * 0.0782% (0.20 0.02 0.02) = 0.078% QG2 VAL 47 - HN CYS 121 3.571% * 0.0782% (0.20 0.02 0.02) = 0.078% QG2 VAL 125 - HN CYS 121 3.571% * 0.0767% (0.20 0.02 0.02) = 0.077% QG1 VAL 40 - HN CYS 121 3.571% * 0.0748% (0.19 0.02 0.02) = 0.075% QG1 VAL 47 - HN CYS 121 3.571% * 0.0492% (0.13 0.02 0.02) = 0.049% QD1 LEU 67 - HN CYS 121 3.571% * 0.0427% (0.11 0.02 0.02) = 0.043% QG2 VAL 87 - HN CYS 121 3.571% * 0.0395% (0.10 0.02 0.02) = 0.039% HG13 ILE 68 - HN CYS 121 3.571% * 0.0363% (0.09 0.02 0.02) = 0.036% Peak 345 (1.96, 8.11, 122.75 ppm): 22 chemical-shift based assignments, quality = 0.57, support = 2.24, residual support = 15.1: * O HB VAL 122 - HN VAL 122 4.545% * 84.4725% (0.62 10.0 2.33 17.25) = 84.473% kept HB VAL 122 - HN CYS 121 4.545% * 5.1489% (0.21 1.0 3.65 9.48) = 5.149% kept HB VAL 73 - HN VAL 122 4.545% * 3.0713% (0.45 1.0 1.00 0.37) = 3.071% kept HG3 PRO 104 - HN VAL 122 4.545% * 2.7842% (0.40 1.0 1.02 0.42) = 2.784% kept HB2 GLU- 75 - HN VAL 122 4.545% * 2.0117% (0.33 1.0 0.91 0.02) = 2.012% kept HG3 PRO 104 - HN CYS 121 4.545% * 0.7462% (0.13 1.0 0.82 0.26) = 0.746% HB2 GLU- 75 - HN CYS 121 4.545% * 0.6518% (0.11 1.0 0.88 0.02) = 0.652% HB VAL 73 - HN CYS 121 4.545% * 0.6375% (0.15 1.0 0.62 0.30) = 0.637% HB3 GLU- 109 - HN VAL 122 4.545% * 0.0843% (0.62 1.0 0.02 0.02) = 0.084% HG3 PRO 116 - HN VAL 122 4.545% * 0.0828% (0.61 1.0 0.02 0.02) = 0.083% HG3 PRO 31 - HN VAL 122 4.545% * 0.0646% (0.48 1.0 0.02 0.02) = 0.065% HB3 LYS+ 55 - HN VAL 122 4.545% * 0.0613% (0.45 1.0 0.02 0.02) = 0.061% HB3 GLU- 109 - HN CYS 121 4.545% * 0.0281% (0.21 1.0 0.02 0.02) = 0.028% HG3 PRO 116 - HN CYS 121 4.545% * 0.0276% (0.20 1.0 0.02 0.02) = 0.028% HG2 PRO 112 - HN VAL 122 4.545% * 0.0261% (0.19 1.0 0.02 0.02) = 0.026% HG3 PRO 31 - HN CYS 121 4.545% * 0.0215% (0.16 1.0 0.02 0.02) = 0.022% HB2 PRO 116 - HN VAL 122 4.545% * 0.0211% (0.16 1.0 0.02 0.02) = 0.021% HB3 LYS+ 55 - HN CYS 121 4.545% * 0.0205% (0.15 1.0 0.02 0.02) = 0.020% HB2 LYS+ 108 - HN VAL 122 4.545% * 0.0167% (0.12 1.0 0.02 0.02) = 0.017% HG2 PRO 112 - HN CYS 121 4.545% * 0.0087% (0.06 1.0 0.02 0.02) = 0.009% HB2 PRO 116 - HN CYS 121 4.545% * 0.0070% (0.05 1.0 0.02 0.02) = 0.007% HB2 LYS+ 108 - HN CYS 121 4.545% * 0.0056% (0.04 1.0 0.02 0.02) = 0.006% Peak 346 (3.93, 8.11, 122.75 ppm): 20 chemical-shift based assignments, quality = 0.517, support = 2.26, residual support = 14.8: O HA VAL 122 - HN VAL 122 5.000% * 62.5317% (0.62 10.0 2.33 17.25) = 62.532% kept O HB3 CYS 121 - HN CYS 121 5.000% * 18.4892% (0.20 10.0 1.83 13.84) = 18.489% kept * HB3 CYS 121 - HN VAL 122 5.000% * 8.3375% (0.60 1.0 2.76 9.48) = 8.338% kept HA LEU 74 - HN VAL 122 5.000% * 5.4179% (0.56 1.0 1.93 5.46) = 5.418% kept HA VAL 122 - HN CYS 121 5.000% * 3.0726% (0.21 1.0 2.95 9.48) = 3.073% kept HA LEU 74 - HN CYS 121 5.000% * 1.8302% (0.19 1.0 1.95 5.25) = 1.830% kept HA LYS+ 44 - HN VAL 122 5.000% * 0.0577% (0.58 1.0 0.02 0.02) = 0.058% HB THR 96 - HN VAL 122 5.000% * 0.0523% (0.52 1.0 0.02 0.02) = 0.052% HB3 SER 77 - HN VAL 122 5.000% * 0.0468% (0.47 1.0 0.02 0.02) = 0.047% HA1 GLY 114 - HN VAL 122 5.000% * 0.0430% (0.43 1.0 0.02 0.02) = 0.043% HA LYS+ 44 - HN CYS 121 5.000% * 0.0193% (0.19 1.0 0.02 0.02) = 0.019% HB THR 96 - HN CYS 121 5.000% * 0.0175% (0.17 1.0 0.02 0.02) = 0.017% HB2 SER 77 - HN VAL 122 5.000% * 0.0156% (0.16 1.0 0.02 0.02) = 0.016% HB3 SER 77 - HN CYS 121 5.000% * 0.0156% (0.16 1.0 0.02 0.02) = 0.016% HA1 GLY 114 - HN CYS 121 5.000% * 0.0144% (0.14 1.0 0.02 0.02) = 0.014% HA ILE 48 - HN VAL 122 5.000% * 0.0127% (0.13 1.0 0.02 0.02) = 0.013% HA ALA 93 - HN VAL 122 5.000% * 0.0124% (0.12 1.0 0.02 0.02) = 0.012% HB2 SER 77 - HN CYS 121 5.000% * 0.0052% (0.05 1.0 0.02 0.02) = 0.005% HA ILE 48 - HN CYS 121 5.000% * 0.0042% (0.04 1.0 0.02 0.02) = 0.004% HA ALA 93 - HN CYS 121 5.000% * 0.0041% (0.04 1.0 0.02 0.02) = 0.004% Peak 347 (2.19, 8.11, 122.75 ppm): 24 chemical-shift based assignments, quality = 0.359, support = 0.621, residual support = 0.205: HB3 PRO 104 - HN VAL 122 4.167% * 24.9363% (0.60 0.59 0.42) = 24.936% kept HB2 ASP- 82 - HN VAL 122 4.167% * 20.0933% (0.52 0.55 0.02) = 20.093% kept HG2 PRO 104 - HN VAL 122 4.167% * 12.6935% (0.21 0.85 0.42) = 12.693% kept HB3 GLU- 75 - HN VAL 122 4.167% * 10.7055% (0.18 0.86 0.02) = 10.705% kept HB3 PRO 104 - HN CYS 121 4.167% * 10.5042% (0.20 0.75 0.26) = 10.504% kept HB2 ASP- 82 - HN CYS 121 4.167% * 5.3559% (0.17 0.44 0.02) = 5.356% kept HG2 PRO 104 - HN CYS 121 4.167% * 3.6733% (0.07 0.74 0.26) = 3.673% kept HB3 GLU- 75 - HN CYS 121 4.167% * 3.6251% (0.06 0.87 0.02) = 3.625% kept HB VAL 99 - HN VAL 122 4.167% * 3.2608% (0.60 0.08 0.02) = 3.261% kept HB VAL 99 - HN CYS 121 4.167% * 1.3333% (0.20 0.09 0.02) = 1.333% kept HG2 MET 126 - HN VAL 122 4.167% * 0.7010% (0.50 0.02 0.02) = 0.701% HG2 GLN 102 - HN VAL 122 4.167% * 0.7010% (0.50 0.02 0.02) = 0.701% HB2 LYS+ 113 - HN VAL 122 4.167% * 0.5309% (0.38 0.02 0.02) = 0.531% HG3 GLU- 54 - HN VAL 122 4.167% * 0.3925% (0.28 0.02 0.02) = 0.392% HA1 GLY 58 - HN VAL 122 4.167% * 0.2663% (0.19 0.02 0.02) = 0.266% HG2 MET 126 - HN CYS 121 4.167% * 0.2339% (0.17 0.02 0.02) = 0.234% HG2 GLN 102 - HN CYS 121 4.167% * 0.2339% (0.17 0.02 0.02) = 0.234% HB2 LYS+ 113 - HN CYS 121 4.167% * 0.1772% (0.13 0.02 0.02) = 0.177% HG3 MET 126 - HN VAL 122 4.167% * 0.1533% (0.11 0.02 0.02) = 0.153% HG3 GLU- 54 - HN CYS 121 4.167% * 0.1310% (0.09 0.02 0.02) = 0.131% HG3 GLU- 109 - HN VAL 122 4.167% * 0.1185% (0.08 0.02 0.02) = 0.118% HA1 GLY 58 - HN CYS 121 4.167% * 0.0888% (0.06 0.02 0.02) = 0.089% HG3 MET 126 - HN CYS 121 4.167% * 0.0512% (0.04 0.02 0.02) = 0.051% HG3 GLU- 109 - HN CYS 121 4.167% * 0.0395% (0.03 0.02 0.02) = 0.040% Peak 348 (1.19, 8.11, 122.75 ppm): 10 chemical-shift based assignments, quality = 0.428, support = 1.78, residual support = 4.5: HG LEU 74 - HN VAL 122 10.000% * 41.0371% (0.60 2.03 5.46) = 41.037% kept HB2 LEU 74 - HN VAL 122 10.000% * 20.4449% (0.30 1.99 5.46) = 20.445% kept HG LEU 74 - HN CYS 121 10.000% * 14.0424% (0.20 2.09 5.25) = 14.042% kept HB ILE 68 - HN VAL 122 10.000% * 12.7373% (0.61 0.62 0.23) = 12.737% kept HB2 LEU 74 - HN CYS 121 10.000% * 7.1924% (0.10 2.10 5.25) = 7.192% kept HB ILE 68 - HN CYS 121 10.000% * 3.8518% (0.20 0.56 0.02) = 3.852% kept QG2 THR 106 - HN CYS 121 10.000% * 0.2390% (0.08 0.09 0.02) = 0.239% HB3 LYS+ 66 - HN VAL 122 10.000% * 0.2223% (0.33 0.02 0.02) = 0.222% QG2 THR 106 - HN VAL 122 10.000% * 0.1586% (0.23 0.02 0.02) = 0.159% HB3 LYS+ 66 - HN CYS 121 10.000% * 0.0742% (0.11 0.02 0.02) = 0.074% Peak 349 (2.35, 8.11, 122.75 ppm): 8 chemical-shift based assignments, quality = 0.34, support = 2.2, residual support = 12.3: O HB2 CYS 121 - HN CYS 121 12.500% * 66.8491% (0.21 10.0 1.83 13.84) = 66.849% kept * HB2 CYS 121 - HN VAL 122 12.500% * 32.5860% (0.62 1.0 2.98 9.48) = 32.586% kept HG3 GLU- 50 - HN VAL 122 12.500% * 0.2129% (0.60 1.0 0.02 0.02) = 0.213% HA1 GLY 58 - HN VAL 122 12.500% * 0.1354% (0.38 1.0 0.02 0.02) = 0.135% HB2 TYR 83 - HN VAL 122 12.500% * 0.0753% (0.21 1.0 0.02 0.89) = 0.075% HG3 GLU- 50 - HN CYS 121 12.500% * 0.0710% (0.20 1.0 0.02 0.02) = 0.071% HA1 GLY 58 - HN CYS 121 12.500% * 0.0452% (0.13 1.0 0.02 0.02) = 0.045% HB2 TYR 83 - HN CYS 121 12.500% * 0.0251% (0.07 1.0 0.02 0.41) = 0.025% Peak 350 (0.85, 8.21, 122.47 ppm): 12 chemical-shift based assignments, quality = 0.826, support = 3.24, residual support = 29.6: * HG2 LYS+ 117 - HN LYS+ 117 8.333% * 45.9611% (0.88 3.52 32.78) = 45.961% kept HG3 LYS+ 117 - HN LYS+ 117 8.333% * 44.3545% (0.85 3.52 32.78) = 44.355% kept QD1 ILE 29 - HN LYS+ 117 8.333% * 5.2354% (0.64 0.55 0.23) = 5.235% kept QG1 VAL 94 - HN LYS+ 117 8.333% * 3.6008% (0.30 0.81 0.02) = 3.601% kept HB ILE 101 - HN LYS+ 117 8.333% * 0.2266% (0.76 0.02 0.02) = 0.227% QD1 LEU 90 - HN LYS+ 117 8.333% * 0.1272% (0.43 0.02 1.26) = 0.127% QG2 ILE 100 - HN LYS+ 117 8.333% * 0.1171% (0.39 0.02 0.02) = 0.117% HG2 LYS+ 113 - HN LYS+ 117 8.333% * 0.1074% (0.36 0.02 0.02) = 0.107% HG LEU 74 - HN LYS+ 117 8.333% * 0.1072% (0.36 0.02 0.02) = 0.107% HG3 LYS+ 113 - HN LYS+ 117 8.333% * 0.0651% (0.22 0.02 0.02) = 0.065% QG2 VAL 122 - HN LYS+ 117 8.333% * 0.0517% (0.17 0.02 0.02) = 0.052% QD2 LEU 17 - HN LYS+ 117 8.333% * 0.0458% (0.15 0.02 0.02) = 0.046% Peak 351 (8.21, 8.21, 122.47 ppm): 1 diagonal assignment: * HN LYS+ 117 - HN LYS+ 117 (0.61) kept Peak 352 (1.80, 8.21, 122.47 ppm): 13 chemical-shift based assignments, quality = 0.797, support = 3.9, residual support = 26.6: O HB3 LYS+ 117 - HN LYS+ 117 7.692% * 35.7239% (0.88 10.0 3.92 32.78) = 35.724% kept * O HB2 LYS+ 117 - HN LYS+ 117 7.692% * 35.4078% (0.87 10.0 3.98 32.78) = 35.408% kept O HB3 PRO 116 - HN LYS+ 117 7.692% * 25.9409% (0.64 10.0 3.70 9.34) = 25.941% kept HD3 LYS+ 117 - HN LYS+ 117 7.692% * 2.7008% (0.27 1.0 4.90 32.78) = 2.701% kept HB3 LYS+ 108 - HN LYS+ 117 7.692% * 0.0356% (0.88 1.0 0.02 0.39) = 0.036% HB3 LYS+ 113 - HN LYS+ 117 7.692% * 0.0354% (0.87 1.0 0.02 0.02) = 0.035% HB3 LYS+ 44 - HN LYS+ 117 7.692% * 0.0350% (0.86 1.0 0.02 0.02) = 0.035% HB3 LYS+ 63 - HN LYS+ 117 7.692% * 0.0320% (0.79 1.0 0.02 0.02) = 0.032% HG2 PRO 31 - HN LYS+ 117 7.692% * 0.0273% (0.67 1.0 0.02 0.02) = 0.027% HB2 GLU- 109 - HN LYS+ 117 7.692% * 0.0217% (0.53 1.0 0.02 0.02) = 0.022% HD3 LYS+ 72 - HN LYS+ 117 7.692% * 0.0174% (0.43 1.0 0.02 0.02) = 0.017% HB3 GLU- 18 - HN LYS+ 117 7.692% * 0.0110% (0.27 1.0 0.02 0.02) = 0.011% HB3 ARG+ 53 - HN LYS+ 117 7.692% * 0.0110% (0.27 1.0 0.02 0.02) = 0.011% Peak 353 (1.37, 8.21, 122.47 ppm): 8 chemical-shift based assignments, quality = 0.678, support = 0.818, residual support = 0.813: QG2 THR 39 - HN LYS+ 117 12.500% * 49.9036% (0.81 1.07 1.20) = 49.904% kept HB3 LYS+ 20 - HN LYS+ 117 12.500% * 24.7318% (0.74 0.59 0.55) = 24.732% kept HD3 LYS+ 20 - HN LYS+ 117 12.500% * 13.8546% (0.30 0.80 0.55) = 13.855% kept HG13 ILE 19 - HN LYS+ 117 12.500% * 8.6454% (0.46 0.33 0.02) = 8.645% kept HG2 LYS+ 78 - HN LYS+ 117 12.500% * 1.0088% (0.88 0.02 0.02) = 1.009% kept QB ALA 91 - HN LYS+ 117 12.500% * 0.7727% (0.67 0.02 0.32) = 0.773% HG3 ARG+ 22 - HN LYS+ 117 12.500% * 0.5724% (0.50 0.02 0.02) = 0.572% HG LEU 74 - HN LYS+ 117 12.500% * 0.5107% (0.45 0.02 0.02) = 0.511% Peak 354 (4.36, 8.21, 122.47 ppm): 10 chemical-shift based assignments, quality = 0.876, support = 3.46, residual support = 32.6: * O HA LYS+ 117 - HN LYS+ 117 10.000% * 99.4562% (0.88 10.0 3.48 32.78) = 99.456% kept HA2 GLY 26 - HN LYS+ 117 10.000% * 0.0975% (0.86 1.0 0.02 0.02) = 0.097% HA1 GLY 26 - HN LYS+ 117 10.000% * 0.0918% (0.81 1.0 0.02 0.02) = 0.092% HA THR 38 - HN LYS+ 117 10.000% * 0.0760% (0.67 1.0 0.02 0.02) = 0.076% HA LYS+ 60 - HN LYS+ 117 10.000% * 0.0643% (0.57 1.0 0.02 0.29) = 0.064% HA ALA 37 - HN LYS+ 117 10.000% * 0.0563% (0.50 1.0 0.02 0.02) = 0.056% HA ASN 57 - HN LYS+ 117 10.000% * 0.0523% (0.46 1.0 0.02 0.02) = 0.052% HB THR 61 - HN LYS+ 117 10.000% * 0.0409% (0.36 1.0 0.02 0.02) = 0.041% HA VAL 94 - HN LYS+ 117 10.000% * 0.0339% (0.30 1.0 0.02 0.02) = 0.034% HA TRP 51 - HN LYS+ 117 10.000% * 0.0307% (0.27 1.0 0.02 0.02) = 0.031% Peak 355 (4.78, 8.21, 122.47 ppm): 5 chemical-shift based assignments, quality = 0.872, support = 2.49, residual support = 8.72: * O HA PRO 116 - HN LYS+ 117 20.000% * 93.2976% (0.87 10.0 2.56 9.34) = 93.298% kept HA ASP- 115 - HN LYS+ 117 20.000% * 6.5876% (0.87 1.0 1.41 0.02) = 6.588% kept HA LYS+ 113 - HN LYS+ 117 20.000% * 0.0817% (0.76 1.0 0.02 0.02) = 0.082% HA VAL 40 - HN LYS+ 117 20.000% * 0.0186% (0.17 1.0 0.02 0.02) = 0.019% HA MET 118 - HN LYS+ 117 20.000% * 0.0145% (0.14 1.0 0.02 0.60) = 0.015% Peak 356 (3.93, 8.07, 122.58 ppm): 20 chemical-shift based assignments, quality = 0.698, support = 2.09, residual support = 13.5: O HB3 CYS 121 - HN CYS 121 5.000% * 53.4949% (0.85 10.0 1.83 13.84) = 53.495% kept O HA VAL 122 - HN VAL 122 5.000% * 26.0658% (0.38 10.0 2.33 17.25) = 26.066% kept HA VAL 122 - HN CYS 121 5.000% * 8.5414% (0.85 1.0 2.95 9.48) = 8.541% kept HA LEU 74 - HN CYS 121 5.000% * 5.5115% (0.83 1.0 1.95 5.25) = 5.511% kept * HB3 CYS 121 - HN VAL 122 5.000% * 3.6173% (0.38 1.0 2.76 9.48) = 3.617% kept HA LEU 74 - HN VAL 122 5.000% * 2.4465% (0.37 1.0 1.93 5.46) = 2.447% kept HB THR 96 - HN CYS 121 5.000% * 0.0540% (0.79 1.0 0.02 0.02) = 0.054% HA LYS+ 44 - HN CYS 121 5.000% * 0.0534% (0.78 1.0 0.02 0.02) = 0.053% HB3 SER 77 - HN CYS 121 5.000% * 0.0419% (0.61 1.0 0.02 0.02) = 0.042% HA1 GLY 114 - HN CYS 121 5.000% * 0.0331% (0.48 1.0 0.02 0.02) = 0.033% HB THR 96 - HN VAL 122 5.000% * 0.0243% (0.36 1.0 0.02 0.02) = 0.024% HA LYS+ 44 - HN VAL 122 5.000% * 0.0240% (0.35 1.0 0.02 0.02) = 0.024% HB2 SER 77 - HN CYS 121 5.000% * 0.0200% (0.29 1.0 0.02 0.02) = 0.020% HB3 SER 77 - HN VAL 122 5.000% * 0.0188% (0.28 1.0 0.02 0.02) = 0.019% HA1 GLY 114 - HN VAL 122 5.000% * 0.0149% (0.22 1.0 0.02 0.02) = 0.015% HA ILE 48 - HN CYS 121 5.000% * 0.0123% (0.18 1.0 0.02 0.02) = 0.012% HB2 SER 77 - HN VAL 122 5.000% * 0.0090% (0.13 1.0 0.02 0.02) = 0.009% HA ALA 93 - HN CYS 121 5.000% * 0.0079% (0.12 1.0 0.02 0.02) = 0.008% HA ILE 48 - HN VAL 122 5.000% * 0.0055% (0.08 1.0 0.02 0.02) = 0.006% HA ALA 93 - HN VAL 122 5.000% * 0.0036% (0.05 1.0 0.02 0.02) = 0.004% Peak 357 (1.17, 8.07, 122.58 ppm): 12 chemical-shift based assignments, quality = 0.668, support = 1.93, residual support = 4.88: HG LEU 74 - HN CYS 121 8.333% * 32.1966% (0.84 2.09 5.25) = 32.197% kept HB2 LEU 74 - HN CYS 121 8.333% * 31.8468% (0.83 2.10 5.25) = 31.847% kept HG LEU 74 - HN VAL 122 8.333% * 14.1089% (0.38 2.03 5.46) = 14.109% kept HB2 LEU 74 - HN VAL 122 8.333% * 13.5745% (0.37 1.99 5.46) = 13.575% kept HB ILE 68 - HN CYS 121 8.333% * 3.9345% (0.38 0.56 0.02) = 3.935% kept HB ILE 68 - HN VAL 122 8.333% * 1.9510% (0.17 0.62 0.23) = 1.951% kept QG2 THR 106 - HN CYS 121 8.333% * 1.4189% (0.85 0.09 0.02) = 1.419% kept HB3 LYS+ 66 - HN CYS 121 8.333% * 0.2979% (0.81 0.02 0.02) = 0.298% HG3 PRO 59 - HN CYS 121 8.333% * 0.2731% (0.74 0.02 0.02) = 0.273% QG2 THR 106 - HN VAL 122 8.333% * 0.1412% (0.38 0.02 0.02) = 0.141% HB3 LYS+ 66 - HN VAL 122 8.333% * 0.1339% (0.36 0.02 0.02) = 0.134% HG3 PRO 59 - HN VAL 122 8.333% * 0.1227% (0.33 0.02 0.02) = 0.123% Peak 358 (4.42, 8.07, 122.58 ppm): 14 chemical-shift based assignments, quality = 0.69, support = 2.32, residual support = 12.5: * O HA CYS 121 - HN CYS 121 7.143% * 70.2604% (0.83 10.0 2.52 13.84) = 70.260% kept O HA CYS 121 - HN VAL 122 7.143% * 29.3465% (0.37 10.0 1.86 9.48) = 29.346% kept HA LYS+ 66 - HN CYS 121 7.143% * 0.0689% (0.81 1.0 0.02 0.02) = 0.069% HA LYS+ 111 - HN CYS 121 7.143% * 0.0632% (0.74 1.0 0.02 0.02) = 0.063% HB THR 24 - HN CYS 121 7.143% * 0.0608% (0.72 1.0 0.02 0.02) = 0.061% HA THR 24 - HN CYS 121 7.143% * 0.0529% (0.62 1.0 0.02 0.02) = 0.053% HA LYS+ 66 - HN VAL 122 7.143% * 0.0309% (0.36 1.0 0.02 0.02) = 0.031% HA LYS+ 111 - HN VAL 122 7.143% * 0.0284% (0.33 1.0 0.02 0.02) = 0.028% HB THR 24 - HN VAL 122 7.143% * 0.0273% (0.32 1.0 0.02 0.02) = 0.027% HA THR 24 - HN VAL 122 7.143% * 0.0238% (0.28 1.0 0.02 0.02) = 0.024% HA VAL 99 - HN CYS 121 7.143% * 0.0128% (0.15 1.0 0.02 0.02) = 0.013% HA THR 95 - HN CYS 121 7.143% * 0.0128% (0.15 1.0 0.02 0.02) = 0.013% HA VAL 99 - HN VAL 122 7.143% * 0.0057% (0.07 1.0 0.02 0.02) = 0.006% HA THR 95 - HN VAL 122 7.143% * 0.0057% (0.07 1.0 0.02 0.02) = 0.006% Peak 359 (1.95, 8.07, 122.58 ppm): 26 chemical-shift based assignments, quality = 0.42, support = 2.39, residual support = 12.5: * O HB VAL 122 - HN VAL 122 3.846% * 59.1821% (0.31 10.0 2.33 17.25) = 59.182% kept HB VAL 122 - HN CYS 121 3.846% * 24.0568% (0.69 1.0 3.65 9.48) = 24.057% kept HB2 GLU- 75 - HN CYS 121 3.846% * 6.4832% (0.77 1.0 0.88 0.02) = 6.483% kept HB2 GLU- 75 - HN VAL 122 3.846% * 3.0003% (0.35 1.0 0.91 0.02) = 3.000% kept HG3 PRO 104 - HN CYS 121 3.846% * 1.8714% (0.24 1.0 0.82 0.26) = 1.871% kept HB VAL 73 - HN CYS 121 3.846% * 1.7473% (0.29 1.0 0.62 0.30) = 1.747% kept HB VAL 73 - HN VAL 122 3.846% * 1.2623% (0.13 1.0 1.00 0.37) = 1.262% kept HG3 PRO 104 - HN VAL 122 3.846% * 1.0470% (0.11 1.0 1.02 0.42) = 1.047% kept HG3 PRO 31 - HN CYS 121 3.846% * 0.1641% (0.85 1.0 0.02 0.02) = 0.164% HB3 LYS+ 55 - HN CYS 121 3.846% * 0.1630% (0.85 1.0 0.02 0.02) = 0.163% HG3 PRO 116 - HN CYS 121 3.846% * 0.1475% (0.77 1.0 0.02 0.02) = 0.148% HB3 GLU- 109 - HN CYS 121 3.846% * 0.1257% (0.65 1.0 0.02 0.02) = 0.126% HG2 PRO 112 - HN CYS 121 3.846% * 0.1130% (0.59 1.0 0.02 0.02) = 0.113% HB2 PRO 116 - HN CYS 121 3.846% * 0.0998% (0.52 1.0 0.02 0.02) = 0.100% HG3 PRO 31 - HN VAL 122 3.846% * 0.0737% (0.38 1.0 0.02 0.02) = 0.074% HB3 LYS+ 55 - HN VAL 122 3.846% * 0.0733% (0.38 1.0 0.02 0.02) = 0.073% HG3 PRO 116 - HN VAL 122 3.846% * 0.0663% (0.35 1.0 0.02 0.02) = 0.066% HB3 GLU- 109 - HN VAL 122 3.846% * 0.0565% (0.29 1.0 0.02 0.02) = 0.056% HB ILE 29 - HN CYS 121 3.846% * 0.0561% (0.29 1.0 0.02 0.02) = 0.056% HG2 PRO 112 - HN VAL 122 3.846% * 0.0508% (0.26 1.0 0.02 0.02) = 0.051% HB2 PRO 116 - HN VAL 122 3.846% * 0.0448% (0.23 1.0 0.02 0.02) = 0.045% HB3 PRO 35 - HN CYS 121 3.846% * 0.0366% (0.19 1.0 0.02 0.02) = 0.037% HB2 LEU 23 - HN CYS 121 3.846% * 0.0254% (0.13 1.0 0.02 0.02) = 0.025% HB ILE 29 - HN VAL 122 3.846% * 0.0252% (0.13 1.0 0.02 0.02) = 0.025% HB3 PRO 35 - HN VAL 122 3.846% * 0.0165% (0.09 1.0 0.02 0.02) = 0.016% HB2 LEU 23 - HN VAL 122 3.846% * 0.0114% (0.06 1.0 0.02 0.02) = 0.011% Peak 360 (2.36, 8.07, 122.58 ppm): 10 chemical-shift based assignments, quality = 0.806, support = 1.91, residual support = 13.5: * O HB2 CYS 121 - HN CYS 121 10.000% * 92.9324% (0.84 10.0 1.83 13.84) = 92.932% kept HB2 CYS 121 - HN VAL 122 10.000% * 6.7928% (0.38 1.0 2.98 9.48) = 6.793% kept HG3 GLU- 50 - HN CYS 121 10.000% * 0.0864% (0.72 1.0 0.02 0.02) = 0.086% HA1 GLY 58 - HN CYS 121 10.000% * 0.0646% (0.53 1.0 0.02 0.02) = 0.065% HG3 GLU- 50 - HN VAL 122 10.000% * 0.0388% (0.32 1.0 0.02 0.02) = 0.039% HA1 GLY 58 - HN VAL 122 10.000% * 0.0290% (0.24 1.0 0.02 0.02) = 0.029% HB2 TYR 83 - HN CYS 121 10.000% * 0.0205% (0.17 1.0 0.02 0.41) = 0.020% HB2 LYS+ 78 - HN CYS 121 10.000% * 0.0181% (0.15 1.0 0.02 0.02) = 0.018% HB2 TYR 83 - HN VAL 122 10.000% * 0.0092% (0.08 1.0 0.02 0.89) = 0.009% HB2 LYS+ 78 - HN VAL 122 10.000% * 0.0081% (0.07 1.0 0.02 0.02) = 0.008% Peak 361 (8.08, 8.07, 122.58 ppm): 2 diagonal assignments: * HN CYS 121 - HN CYS 121 (0.84) kept HN VAL 122 - HN VAL 122 (0.17) kept Peak 362 (0.88, 8.07, 122.58 ppm): 32 chemical-shift based assignments, quality = 0.542, support = 2.25, residual support = 10.4: QG2 VAL 122 - HN CYS 121 3.125% * 24.5382% (0.81 2.17 9.48) = 24.538% kept QG1 VAL 122 - HN CYS 121 3.125% * 22.9090% (0.74 2.21 9.48) = 22.909% kept * QG2 VAL 122 - HN VAL 122 3.125% * 15.3873% (0.36 3.02 17.25) = 15.387% kept QG1 VAL 122 - HN VAL 122 3.125% * 13.1986% (0.33 2.83 17.25) = 13.199% kept HG LEU 74 - HN CYS 121 3.125% * 12.4067% (0.43 2.09 5.25) = 12.407% kept HG LEU 74 - HN VAL 122 3.125% * 5.4368% (0.19 2.03 5.46) = 5.437% kept QD1 LEU 90 - HN CYS 121 3.125% * 1.1806% (0.55 0.15 0.02) = 1.181% kept QG2 VAL 105 - HN CYS 121 3.125% * 1.0570% (0.29 0.26 0.02) = 1.057% kept QG2 VAL 105 - HN VAL 122 3.125% * 0.7571% (0.13 0.41 0.02) = 0.757% QG2 ILE 100 - HN CYS 121 3.125% * 0.6348% (0.59 0.08 0.02) = 0.635% QG2 ILE 100 - HN VAL 122 3.125% * 0.3496% (0.26 0.09 0.02) = 0.350% HG13 ILE 68 - HN VAL 122 3.125% * 0.2538% (0.08 0.24 0.23) = 0.254% QG1 VAL 40 - HN CYS 121 3.125% * 0.2373% (0.85 0.02 0.02) = 0.237% QG2 VAL 125 - HN CYS 121 3.125% * 0.2347% (0.84 0.02 0.02) = 0.235% QG2 VAL 47 - HN CYS 121 3.125% * 0.2311% (0.83 0.02 0.02) = 0.231% QG1 VAL 80 - HN CYS 121 3.125% * 0.1739% (0.62 0.02 0.02) = 0.174% QG1 VAL 40 - HN VAL 122 3.125% * 0.1066% (0.38 0.02 0.02) = 0.107% QG2 VAL 125 - HN VAL 122 3.125% * 0.1055% (0.38 0.02 0.02) = 0.105% QG2 VAL 47 - HN VAL 122 3.125% * 0.1038% (0.37 0.02 0.02) = 0.104% QD1 LEU 67 - HN VAL 122 3.125% * 0.1011% (0.10 0.08 0.02) = 0.101% QG1 VAL 80 - HN VAL 122 3.125% * 0.0781% (0.28 0.02 0.02) = 0.078% QG1 VAL 47 - HN CYS 121 3.125% * 0.0739% (0.26 0.02 0.02) = 0.074% QD1 LEU 90 - HN VAL 122 3.125% * 0.0696% (0.25 0.02 0.02) = 0.070% HB ILE 101 - HN CYS 121 3.125% * 0.0666% (0.24 0.02 0.02) = 0.067% QD1 LEU 67 - HN CYS 121 3.125% * 0.0597% (0.21 0.02 0.02) = 0.060% QG2 VAL 87 - HN CYS 121 3.125% * 0.0533% (0.19 0.02 0.02) = 0.053% HG13 ILE 68 - HN CYS 121 3.125% * 0.0474% (0.17 0.02 0.02) = 0.047% HG3 LYS+ 117 - HN CYS 121 3.125% * 0.0419% (0.15 0.02 0.02) = 0.042% QG1 VAL 47 - HN VAL 122 3.125% * 0.0332% (0.12 0.02 0.02) = 0.033% HB ILE 101 - HN VAL 122 3.125% * 0.0299% (0.11 0.02 0.02) = 0.030% QG2 VAL 87 - HN VAL 122 3.125% * 0.0240% (0.09 0.02 0.02) = 0.024% HG3 LYS+ 117 - HN VAL 122 3.125% * 0.0188% (0.07 0.02 0.02) = 0.019% Peak 363 (2.17, 8.07, 122.58 ppm): 20 chemical-shift based assignments, quality = 0.532, support = 0.687, residual support = 0.187: HG2 PRO 104 - HN CYS 121 5.000% * 22.4906% (0.79 0.74 0.26) = 22.491% kept HB3 PRO 104 - HN CYS 121 5.000% * 17.8817% (0.62 0.75 0.26) = 17.882% kept HB2 ASP- 82 - HN CYS 121 5.000% * 13.0105% (0.77 0.44 0.02) = 13.011% kept HB3 GLU- 75 - HN CYS 121 5.000% * 12.2556% (0.37 0.87 0.02) = 12.256% kept HG2 PRO 104 - HN VAL 122 5.000% * 11.6539% (0.36 0.85 0.42) = 11.654% kept HB2 ASP- 82 - HN VAL 122 5.000% * 7.3191% (0.35 0.55 0.02) = 7.319% kept HB3 PRO 104 - HN VAL 122 5.000% * 6.3654% (0.28 0.59 0.42) = 6.365% kept HB3 GLU- 75 - HN VAL 122 5.000% * 5.4272% (0.16 0.86 0.02) = 5.427% kept HB VAL 99 - HN CYS 121 5.000% * 1.2850% (0.35 0.09 0.02) = 1.285% kept HG2 GLN 102 - HN CYS 121 5.000% * 0.6101% (0.79 0.02 0.02) = 0.610% HB VAL 99 - HN VAL 122 5.000% * 0.4712% (0.16 0.08 0.02) = 0.471% HG2 GLN 102 - HN VAL 122 5.000% * 0.2741% (0.36 0.02 0.02) = 0.274% HB3 LYS+ 78 - HN CYS 121 5.000% * 0.2254% (0.29 0.02 0.02) = 0.225% HA1 GLY 58 - HN CYS 121 5.000% * 0.1847% (0.24 0.02 0.02) = 0.185% HG2 MET 126 - HN CYS 121 5.000% * 0.1471% (0.19 0.02 0.02) = 0.147% HG3 GLN 102 - HN CYS 121 5.000% * 0.1020% (0.13 0.02 0.02) = 0.102% HB3 LYS+ 78 - HN VAL 122 5.000% * 0.1013% (0.13 0.02 0.02) = 0.101% HA1 GLY 58 - HN VAL 122 5.000% * 0.0830% (0.11 0.02 0.02) = 0.083% HG2 MET 126 - HN VAL 122 5.000% * 0.0661% (0.09 0.02 0.02) = 0.066% HG3 GLN 102 - HN VAL 122 5.000% * 0.0458% (0.06 0.02 0.02) = 0.046% Peak 364 (0.86, 8.17, 122.42 ppm): 13 chemical-shift based assignments, quality = 0.181, support = 3.31, residual support = 30.7: HG3 LYS+ 117 - HN LYS+ 117 7.692% * 52.2193% (0.21 3.52 32.78) = 52.219% kept * HG2 LYS+ 117 - HN LYS+ 117 7.692% * 41.4450% (0.17 3.52 32.78) = 41.445% kept QG1 VAL 40 - HN LYS+ 117 7.692% * 2.1913% (0.12 0.25 0.02) = 2.191% kept QD1 ILE 29 - HN LYS+ 117 7.692% * 2.1213% (0.05 0.55 0.23) = 2.121% kept QD1 LEU 90 - HN LYS+ 117 7.692% * 0.3807% (0.27 0.02 1.26) = 0.381% QG2 ILE 100 - HN LYS+ 117 7.692% * 0.3749% (0.26 0.02 0.02) = 0.375% HB ILE 101 - HN LYS+ 117 7.692% * 0.3484% (0.24 0.02 0.02) = 0.348% QG2 VAL 122 - HN LYS+ 117 7.692% * 0.2821% (0.20 0.02 0.02) = 0.282% HG LEU 74 - HN LYS+ 117 7.692% * 0.1748% (0.12 0.02 0.02) = 0.175% QG2 VAL 125 - HN LYS+ 117 7.692% * 0.1597% (0.11 0.02 0.02) = 0.160% QG2 VAL 47 - HN LYS+ 117 7.692% * 0.1458% (0.10 0.02 0.02) = 0.146% QG1 VAL 122 - HN LYS+ 117 7.692% * 0.0969% (0.07 0.02 0.02) = 0.097% QG1 VAL 80 - HN LYS+ 117 7.692% * 0.0599% (0.04 0.02 0.02) = 0.060% Peak 365 (1.78, 8.17, 122.42 ppm): 13 chemical-shift based assignments, quality = 0.233, support = 3.84, residual support = 23.4: O HB3 PRO 116 - HN LYS+ 117 7.692% * 39.4765% (0.27 10.0 3.70 9.34) = 39.477% kept * O HB2 LYS+ 117 - HN LYS+ 117 7.692% * 31.6103% (0.22 10.0 3.98 32.78) = 31.610% kept O HB3 LYS+ 117 - HN LYS+ 117 7.692% * 28.6658% (0.20 10.0 3.92 32.78) = 28.666% kept HG2 PRO 31 - HN LYS+ 117 7.692% * 0.0394% (0.27 1.0 0.02 0.02) = 0.039% HB3 LYS+ 63 - HN LYS+ 117 7.692% * 0.0373% (0.26 1.0 0.02 0.02) = 0.037% HB3 LYS+ 113 - HN LYS+ 117 7.692% * 0.0316% (0.22 1.0 0.02 0.02) = 0.032% HB3 LYS+ 108 - HN LYS+ 117 7.692% * 0.0302% (0.21 1.0 0.02 0.39) = 0.030% HB3 ARG+ 53 - HN LYS+ 117 7.692% * 0.0302% (0.21 1.0 0.02 0.02) = 0.030% HB3 GLU- 18 - HN LYS+ 117 7.692% * 0.0302% (0.21 1.0 0.02 0.02) = 0.030% HB3 LYS+ 44 - HN LYS+ 117 7.692% * 0.0239% (0.17 1.0 0.02 0.02) = 0.024% HB2 ARG+ 84 - HN LYS+ 117 7.692% * 0.0098% (0.07 1.0 0.02 0.02) = 0.010% HB2 GLU- 109 - HN LYS+ 117 7.692% * 0.0078% (0.05 1.0 0.02 0.02) = 0.008% HB VAL 94 - HN LYS+ 117 7.692% * 0.0069% (0.05 1.0 0.02 0.02) = 0.007% Peak 366 (1.17, 8.07, 122.54 ppm): 12 chemical-shift based assignments, quality = 0.719, support = 1.94, residual support = 4.93: HG LEU 74 - HN CYS 121 8.333% * 31.1734% (0.91 2.09 5.25) = 31.173% kept HB2 LEU 74 - HN CYS 121 8.333% * 29.4398% (0.86 2.10 5.25) = 29.440% kept HG LEU 74 - HN VAL 122 8.333% * 16.6343% (0.50 2.03 5.46) = 16.634% kept HB2 LEU 74 - HN VAL 122 8.333% * 15.2801% (0.47 1.99 5.46) = 15.280% kept HB ILE 68 - HN CYS 121 8.333% * 3.1831% (0.35 0.56 0.02) = 3.183% kept HB ILE 68 - HN VAL 122 8.333% * 1.9220% (0.19 0.62 0.23) = 1.922% kept QG2 THR 106 - HN CYS 121 8.333% * 1.3471% (0.91 0.09 0.02) = 1.347% kept HG3 PRO 59 - HN CYS 121 8.333% * 0.2809% (0.86 0.02 0.02) = 0.281% HB3 LYS+ 66 - HN CYS 121 8.333% * 0.2729% (0.83 0.02 0.02) = 0.273% QG2 THR 106 - HN VAL 122 8.333% * 0.1632% (0.50 0.02 0.02) = 0.163% HG3 PRO 59 - HN VAL 122 8.333% * 0.1537% (0.47 0.02 0.02) = 0.154% HB3 LYS+ 66 - HN VAL 122 8.333% * 0.1493% (0.46 0.02 0.02) = 0.149% Peak 367 (3.93, 8.07, 122.54 ppm): 18 chemical-shift based assignments, quality = 0.765, support = 2.11, residual support = 13.6: O HB3 CYS 121 - HN CYS 121 5.556% * 50.3841% (0.93 10.0 1.83 13.84) = 50.384% kept O HA VAL 122 - HN VAL 122 5.556% * 29.1075% (0.49 10.0 2.33 17.25) = 29.108% kept HA VAL 122 - HN CYS 121 5.556% * 7.8330% (0.90 1.0 2.95 9.48) = 7.833% kept HA LEU 74 - HN CYS 121 5.556% * 5.3313% (0.92 1.0 1.95 5.25) = 5.331% kept * HB3 CYS 121 - HN VAL 122 5.556% * 4.1485% (0.51 1.0 2.76 9.48) = 4.149% kept HA LEU 74 - HN VAL 122 5.556% * 2.8817% (0.50 1.0 1.93 5.46) = 2.882% kept HB THR 96 - HN CYS 121 5.556% * 0.0532% (0.90 1.0 0.02 0.02) = 0.053% HA LYS+ 44 - HN CYS 121 5.556% * 0.0500% (0.84 1.0 0.02 0.02) = 0.050% HB3 SER 77 - HN CYS 121 5.556% * 0.0383% (0.65 1.0 0.02 0.02) = 0.038% HB THR 96 - HN VAL 122 5.556% * 0.0291% (0.49 1.0 0.02 0.02) = 0.029% HA LYS+ 44 - HN VAL 122 5.556% * 0.0273% (0.46 1.0 0.02 0.02) = 0.027% HA1 GLY 114 - HN CYS 121 5.556% * 0.0268% (0.45 1.0 0.02 0.02) = 0.027% HB2 SER 77 - HN CYS 121 5.556% * 0.0227% (0.38 1.0 0.02 0.02) = 0.023% HB3 SER 77 - HN VAL 122 5.556% * 0.0210% (0.35 1.0 0.02 0.02) = 0.021% HA1 GLY 114 - HN VAL 122 5.556% * 0.0147% (0.25 1.0 0.02 0.02) = 0.015% HB2 SER 77 - HN VAL 122 5.556% * 0.0124% (0.21 1.0 0.02 0.02) = 0.012% HA ILE 48 - HN CYS 121 5.556% * 0.0119% (0.20 1.0 0.02 0.02) = 0.012% HA ILE 48 - HN VAL 122 5.556% * 0.0065% (0.11 1.0 0.02 0.02) = 0.007% Peak 368 (4.42, 8.07, 122.54 ppm): 14 chemical-shift based assignments, quality = 0.783, support = 2.29, residual support = 12.3: * O HA CYS 121 - HN CYS 121 7.143% * 66.0328% (0.93 10.0 2.52 13.84) = 66.033% kept O HA CYS 121 - HN VAL 122 7.143% * 33.5845% (0.51 10.0 1.86 9.48) = 33.585% kept HA LYS+ 66 - HN CYS 121 7.143% * 0.0662% (0.93 1.0 0.02 0.02) = 0.066% HA THR 24 - HN CYS 121 7.143% * 0.0594% (0.83 1.0 0.02 0.02) = 0.059% HA LYS+ 111 - HN CYS 121 7.143% * 0.0455% (0.64 1.0 0.02 0.02) = 0.045% HB THR 24 - HN CYS 121 7.143% * 0.0428% (0.60 1.0 0.02 0.02) = 0.043% HA LYS+ 66 - HN VAL 122 7.143% * 0.0362% (0.51 1.0 0.02 0.02) = 0.036% HA THR 24 - HN VAL 122 7.143% * 0.0325% (0.46 1.0 0.02 0.02) = 0.032% HA LYS+ 111 - HN VAL 122 7.143% * 0.0249% (0.35 1.0 0.02 0.02) = 0.025% HB THR 24 - HN VAL 122 7.143% * 0.0234% (0.33 1.0 0.02 0.02) = 0.023% HA THR 95 - HN CYS 121 7.143% * 0.0204% (0.29 1.0 0.02 0.02) = 0.020% HA SER 88 - HN CYS 121 7.143% * 0.0131% (0.18 1.0 0.02 0.02) = 0.013% HA THR 95 - HN VAL 122 7.143% * 0.0112% (0.16 1.0 0.02 0.02) = 0.011% HA SER 88 - HN VAL 122 7.143% * 0.0072% (0.10 1.0 0.02 0.02) = 0.007% Peak 369 (1.95, 8.07, 122.54 ppm): 24 chemical-shift based assignments, quality = 0.505, support = 2.38, residual support = 13.0: * O HB VAL 122 - HN VAL 122 4.167% * 63.4072% (0.42 10.0 2.33 17.25) = 63.407% kept HB VAL 122 - HN CYS 121 4.167% * 21.1666% (0.78 1.0 3.65 9.48) = 21.167% kept HB2 GLU- 75 - HN CYS 121 4.167% * 5.2892% (0.81 1.0 0.88 0.02) = 5.289% kept HB2 GLU- 75 - HN VAL 122 4.167% * 2.9806% (0.44 1.0 0.91 0.02) = 2.981% kept HG3 PRO 104 - HN CYS 121 4.167% * 1.7523% (0.29 1.0 0.82 0.26) = 1.752% kept HB VAL 73 - HN CYS 121 4.167% * 1.6216% (0.35 1.0 0.62 0.30) = 1.622% kept HB VAL 73 - HN VAL 122 4.167% * 1.4265% (0.19 1.0 1.00 0.37) = 1.427% kept HG3 PRO 104 - HN VAL 122 4.167% * 1.1938% (0.16 1.0 1.02 0.42) = 1.194% kept HG3 PRO 31 - HN CYS 121 4.167% * 0.1375% (0.92 1.0 0.02 0.02) = 0.138% HB3 LYS+ 55 - HN CYS 121 4.167% * 0.1360% (0.91 1.0 0.02 0.02) = 0.136% HG3 PRO 116 - HN CYS 121 4.167% * 0.1281% (0.86 1.0 0.02 0.02) = 0.128% HB3 GLU- 109 - HN CYS 121 4.167% * 0.1111% (0.74 1.0 0.02 0.02) = 0.111% HG2 PRO 112 - HN CYS 121 4.167% * 0.0897% (0.60 1.0 0.02 0.02) = 0.090% HB2 PRO 116 - HN CYS 121 4.167% * 0.0785% (0.53 1.0 0.02 0.02) = 0.079% HG3 PRO 31 - HN VAL 122 4.167% * 0.0752% (0.50 1.0 0.02 0.02) = 0.075% HB3 LYS+ 55 - HN VAL 122 4.167% * 0.0744% (0.50 1.0 0.02 0.02) = 0.074% HG3 PRO 116 - HN VAL 122 4.167% * 0.0701% (0.47 1.0 0.02 0.02) = 0.070% HB3 GLU- 109 - HN VAL 122 4.167% * 0.0608% (0.41 1.0 0.02 0.02) = 0.061% HG2 PRO 112 - HN VAL 122 4.167% * 0.0491% (0.33 1.0 0.02 0.02) = 0.049% HB2 PRO 116 - HN VAL 122 4.167% * 0.0430% (0.29 1.0 0.02 0.02) = 0.043% HB ILE 29 - HN CYS 121 4.167% * 0.0428% (0.29 1.0 0.02 0.02) = 0.043% HB3 PRO 35 - HN CYS 121 4.167% * 0.0275% (0.18 1.0 0.02 0.02) = 0.027% HB ILE 29 - HN VAL 122 4.167% * 0.0234% (0.16 1.0 0.02 0.02) = 0.023% HB3 PRO 35 - HN VAL 122 4.167% * 0.0150% (0.10 1.0 0.02 0.02) = 0.015% Peak 370 (8.08, 8.07, 122.54 ppm): 2 diagonal assignments: * HN CYS 121 - HN CYS 121 (0.90) kept HN VAL 122 - HN VAL 122 (0.21) kept Peak 371 (2.36, 8.07, 122.54 ppm): 8 chemical-shift based assignments, quality = 0.824, support = 1.92, residual support = 13.4: * O HB2 CYS 121 - HN CYS 121 12.500% * 91.5799% (0.86 10.0 1.83 13.84) = 91.580% kept HB2 CYS 121 - HN VAL 122 12.500% * 8.1511% (0.47 1.0 2.98 9.48) = 8.151% kept HG3 GLU- 50 - HN CYS 121 12.500% * 0.0786% (0.67 1.0 0.02 0.02) = 0.079% HA1 GLY 58 - HN CYS 121 12.500% * 0.0682% (0.59 1.0 0.02 0.02) = 0.068% HG3 GLU- 50 - HN VAL 122 12.500% * 0.0430% (0.37 1.0 0.02 0.02) = 0.043% HA1 GLY 58 - HN VAL 122 12.500% * 0.0373% (0.32 1.0 0.02 0.02) = 0.037% HB2 LYS+ 78 - HN CYS 121 12.500% * 0.0270% (0.23 1.0 0.02 0.02) = 0.027% HB2 LYS+ 78 - HN VAL 122 12.500% * 0.0148% (0.13 1.0 0.02 0.02) = 0.015% Peak 372 (0.87, 8.07, 122.54 ppm): 28 chemical-shift based assignments, quality = 0.579, support = 2.29, residual support = 10.7: QG2 VAL 122 - HN CYS 121 3.571% * 25.7321% (0.93 2.17 9.48) = 25.732% kept * QG2 VAL 122 - HN VAL 122 3.571% * 19.6485% (0.51 3.02 17.25) = 19.648% kept QG1 VAL 122 - HN CYS 121 3.571% * 17.9960% (0.64 2.21 9.48) = 17.996% kept QG1 VAL 122 - HN VAL 122 3.571% * 12.6251% (0.35 2.83 17.25) = 12.625% kept HG LEU 74 - HN CYS 121 3.571% * 11.9629% (0.45 2.09 5.25) = 11.963% kept HG LEU 74 - HN VAL 122 3.571% * 6.3835% (0.25 2.03 5.46) = 6.383% kept QD1 LEU 90 - HN CYS 121 3.571% * 1.5122% (0.78 0.15 0.02) = 1.512% kept QG2 ILE 100 - HN CYS 121 3.571% * 0.7952% (0.81 0.08 0.02) = 0.795% QG2 VAL 105 - HN CYS 121 3.571% * 0.6083% (0.18 0.26 0.02) = 0.608% QG2 ILE 100 - HN VAL 122 3.571% * 0.5332% (0.44 0.09 0.02) = 0.533% QG2 VAL 105 - HN VAL 122 3.571% * 0.5306% (0.10 0.41 0.02) = 0.531% QG1 VAL 40 - HN CYS 121 3.571% * 0.2130% (0.83 0.02 0.02) = 0.213% QG2 VAL 125 - HN CYS 121 3.571% * 0.2060% (0.81 0.02 0.02) = 0.206% QG2 VAL 47 - HN CYS 121 3.571% * 0.1984% (0.78 0.02 0.02) = 0.198% QG1 VAL 80 - HN CYS 121 3.571% * 0.1250% (0.49 0.02 0.02) = 0.125% QG1 VAL 40 - HN VAL 122 3.571% * 0.1166% (0.46 0.02 0.02) = 0.117% QG2 VAL 125 - HN VAL 122 3.571% * 0.1127% (0.44 0.02 0.02) = 0.113% QD1 LEU 90 - HN VAL 122 3.571% * 0.1086% (0.42 0.02 0.02) = 0.109% QG2 VAL 47 - HN VAL 122 3.571% * 0.1086% (0.42 0.02 0.02) = 0.109% HB ILE 101 - HN CYS 121 3.571% * 0.1065% (0.42 0.02 0.02) = 0.106% HG3 LYS+ 117 - HN CYS 121 3.571% * 0.0733% (0.29 0.02 0.02) = 0.073% QG1 VAL 80 - HN VAL 122 3.571% * 0.0684% (0.27 0.02 0.02) = 0.068% HB ILE 101 - HN VAL 122 3.571% * 0.0583% (0.23 0.02 0.02) = 0.058% HG2 LYS+ 117 - HN CYS 121 3.571% * 0.0470% (0.18 0.02 0.02) = 0.047% QG1 VAL 47 - HN CYS 121 3.571% * 0.0416% (0.16 0.02 0.02) = 0.042% HG3 LYS+ 117 - HN VAL 122 3.571% * 0.0401% (0.16 0.02 0.02) = 0.040% HG2 LYS+ 117 - HN VAL 122 3.571% * 0.0257% (0.10 0.02 0.02) = 0.026% QG1 VAL 47 - HN VAL 122 3.571% * 0.0228% (0.09 0.02 0.02) = 0.023% Peak 373 (1.79, 8.20, 122.46 ppm): 13 chemical-shift based assignments, quality = 0.904, support = 3.89, residual support = 26.1: * O HB2 LYS+ 117 - HN LYS+ 117 7.692% * 34.9726% (0.98 10.0 3.98 32.78) = 34.973% kept O HB3 LYS+ 117 - HN LYS+ 117 7.692% * 34.6631% (0.97 10.0 3.92 32.78) = 34.663% kept O HB3 PRO 116 - HN LYS+ 117 7.692% * 28.0039% (0.78 10.0 3.70 9.34) = 28.004% kept HD3 LYS+ 117 - HN LYS+ 117 7.692% * 2.1361% (0.24 1.0 4.90 32.78) = 2.136% kept HB3 LYS+ 113 - HN LYS+ 117 7.692% * 0.0350% (0.98 1.0 0.02 0.02) = 0.035% HB3 LYS+ 108 - HN LYS+ 117 7.692% * 0.0349% (0.98 1.0 0.02 0.39) = 0.035% HB3 LYS+ 44 - HN LYS+ 117 7.692% * 0.0331% (0.93 1.0 0.02 0.02) = 0.033% HB3 LYS+ 63 - HN LYS+ 117 7.692% * 0.0331% (0.93 1.0 0.02 0.02) = 0.033% HG2 PRO 31 - HN LYS+ 117 7.692% * 0.0292% (0.82 1.0 0.02 0.02) = 0.029% HB2 GLU- 109 - HN LYS+ 117 7.692% * 0.0184% (0.52 1.0 0.02 0.02) = 0.018% HD3 LYS+ 72 - HN LYS+ 117 7.692% * 0.0144% (0.40 1.0 0.02 0.02) = 0.014% HB3 GLU- 18 - HN LYS+ 117 7.692% * 0.0131% (0.37 1.0 0.02 0.02) = 0.013% HB3 ARG+ 53 - HN LYS+ 117 7.692% * 0.0131% (0.37 1.0 0.02 0.02) = 0.013% Peak 374 (0.85, 8.20, 122.46 ppm): 11 chemical-shift based assignments, quality = 0.92, support = 3.3, residual support = 30.3: HG3 LYS+ 117 - HN LYS+ 117 9.091% * 47.0752% (0.98 3.52 32.78) = 47.075% kept * HG2 LYS+ 117 - HN LYS+ 117 9.091% * 45.4321% (0.95 3.52 32.78) = 45.432% kept QD1 ILE 29 - HN LYS+ 117 9.091% * 4.1809% (0.55 0.55 0.23) = 4.181% kept QG1 VAL 94 - HN LYS+ 117 9.091% * 2.4072% (0.22 0.81 0.02) = 2.407% kept HB ILE 101 - HN LYS+ 117 9.091% * 0.2583% (0.95 0.02 0.02) = 0.258% QD1 LEU 90 - HN LYS+ 117 9.091% * 0.1731% (0.63 0.02 1.26) = 0.173% QG2 ILE 100 - HN LYS+ 117 9.091% * 0.1623% (0.59 0.02 0.02) = 0.162% HG LEU 74 - HN LYS+ 117 9.091% * 0.1126% (0.41 0.02 0.02) = 0.113% QG2 VAL 122 - HN LYS+ 117 9.091% * 0.0826% (0.30 0.02 0.02) = 0.083% HG2 LYS+ 113 - HN LYS+ 117 9.091% * 0.0744% (0.27 0.02 0.02) = 0.074% HG3 LYS+ 113 - HN LYS+ 117 9.091% * 0.0413% (0.15 0.02 0.02) = 0.041% Peak 375 (8.20, 8.20, 122.46 ppm): 1 diagonal assignment: * HN LYS+ 117 - HN LYS+ 117 (0.93) kept Peak 376 (1.37, 8.20, 122.46 ppm): 8 chemical-shift based assignments, quality = 0.752, support = 0.809, residual support = 0.803: QG2 THR 39 - HN LYS+ 117 12.500% * 48.9998% (0.88 1.07 1.20) = 49.000% kept HB3 LYS+ 20 - HN LYS+ 117 12.500% * 25.9580% (0.85 0.59 0.55) = 25.958% kept HD3 LYS+ 20 - HN LYS+ 117 12.500% * 12.6699% (0.30 0.80 0.55) = 12.670% kept HG13 ILE 19 - HN LYS+ 117 12.500% * 9.4025% (0.55 0.33 0.02) = 9.402% kept HG2 LYS+ 78 - HN LYS+ 117 12.500% * 1.0128% (0.97 0.02 0.02) = 1.013% kept QB ALA 91 - HN LYS+ 117 12.500% * 0.8182% (0.78 0.02 0.32) = 0.818% HG3 ARG+ 22 - HN LYS+ 117 12.500% * 0.6198% (0.59 0.02 0.02) = 0.620% HG LEU 74 - HN LYS+ 117 12.500% * 0.5191% (0.50 0.02 0.02) = 0.519% Peak 377 (4.78, 8.20, 122.46 ppm): 4 chemical-shift based assignments, quality = 0.977, support = 2.49, residual support = 8.74: * O HA PRO 116 - HN LYS+ 117 25.000% * 93.5262% (0.98 10.0 2.56 9.34) = 93.526% kept HA ASP- 115 - HN LYS+ 117 25.000% * 6.3730% (0.95 1.0 1.41 0.02) = 6.373% kept HA LYS+ 113 - HN LYS+ 117 25.000% * 0.0863% (0.90 1.0 0.02 0.02) = 0.086% HA VAL 40 - HN LYS+ 117 25.000% * 0.0144% (0.15 1.0 0.02 0.02) = 0.014% Peak 378 (4.36, 8.20, 122.46 ppm): 10 chemical-shift based assignments, quality = 0.975, support = 3.46, residual support = 32.6: * O HA LYS+ 117 - HN LYS+ 117 10.000% * 99.4562% (0.98 10.0 3.48 32.78) = 99.456% kept HA2 GLY 26 - HN LYS+ 117 10.000% * 0.0975% (0.96 1.0 0.02 0.02) = 0.097% HA1 GLY 26 - HN LYS+ 117 10.000% * 0.0918% (0.90 1.0 0.02 0.02) = 0.092% HA THR 38 - HN LYS+ 117 10.000% * 0.0760% (0.75 1.0 0.02 0.02) = 0.076% HA LYS+ 60 - HN LYS+ 117 10.000% * 0.0643% (0.63 1.0 0.02 0.29) = 0.064% HA ALA 37 - HN LYS+ 117 10.000% * 0.0563% (0.55 1.0 0.02 0.02) = 0.056% HA ASN 57 - HN LYS+ 117 10.000% * 0.0523% (0.52 1.0 0.02 0.02) = 0.052% HB THR 61 - HN LYS+ 117 10.000% * 0.0409% (0.40 1.0 0.02 0.02) = 0.041% HA VAL 94 - HN LYS+ 117 10.000% * 0.0339% (0.33 1.0 0.02 0.02) = 0.034% HA TRP 51 - HN LYS+ 117 10.000% * 0.0307% (0.30 1.0 0.02 0.02) = 0.031% 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 = 0.934, support = 3.97, residual support = 21.6: * O HB VAL 40 - HN VAL 40 20.000% * 99.8273% (0.94 10.0 3.97 21.63) = 99.827% kept HA1 GLY 58 - HN VAL 40 20.000% * 0.0888% (0.83 1.0 0.02 0.02) = 0.089% HG3 PRO 35 - HN VAL 40 20.000% * 0.0434% (0.41 1.0 0.02 0.02) = 0.043% HB3 LYS+ 81 - HN VAL 40 20.000% * 0.0263% (0.25 1.0 0.02 0.02) = 0.026% HG3 GLU- 45 - HN VAL 40 20.000% * 0.0143% (0.13 1.0 0.02 0.02) = 0.014% Peak 381 (0.88, 8.71, 122.58 ppm): 15 chemical-shift based assignments, quality = 0.924, support = 3.06, residual support = 19.8: * QG1 VAL 40 - HN VAL 40 6.667% * 91.5746% (0.99 3.34 21.63) = 91.575% kept HG LEU 74 - HN VAL 40 6.667% * 3.6706% (0.50 0.27 0.02) = 3.671% kept QD1 LEU 67 - HN VAL 40 6.667% * 0.7366% (0.31 0.09 0.02) = 0.737% QG2 VAL 125 - HN VAL 40 6.667% * 0.5478% (0.99 0.02 0.02) = 0.548% QG2 VAL 47 - HN VAL 40 6.667% * 0.5442% (0.98 0.02 0.02) = 0.544% QG1 VAL 122 - HN VAL 40 6.667% * 0.5068% (0.91 0.02 0.02) = 0.507% QG2 VAL 122 - HN VAL 40 6.667% * 0.4924% (0.89 0.02 0.02) = 0.492% QG1 VAL 80 - HN VAL 40 6.667% * 0.4396% (0.79 0.02 0.02) = 0.440% QG2 ILE 100 - HN VAL 40 6.667% * 0.3330% (0.60 0.02 0.02) = 0.333% QD1 LEU 90 - HN VAL 40 6.667% * 0.3108% (0.56 0.02 0.02) = 0.311% QG2 VAL 105 - HN VAL 40 6.667% * 0.2257% (0.41 0.02 0.02) = 0.226% QG1 VAL 47 - HN VAL 40 6.667% * 0.2061% (0.37 0.02 0.02) = 0.206% QG2 VAL 87 - HN VAL 40 6.667% * 0.1527% (0.27 0.02 0.02) = 0.153% HG13 ILE 68 - HN VAL 40 6.667% * 0.1369% (0.25 0.02 0.02) = 0.137% HB ILE 101 - HN VAL 40 6.667% * 0.1222% (0.22 0.02 0.02) = 0.122% Peak 382 (4.73, 8.71, 122.58 ppm): 4 chemical-shift based assignments, quality = 0.273, support = 4.04, residual support = 21.5: * O HA VAL 40 - HN VAL 40 25.000% * 99.3173% (0.27 10.0 4.07 21.63) = 99.317% kept HA PRO 31 - HN VAL 40 25.000% * 0.3297% (0.91 1.0 0.02 0.02) = 0.330% HA2 GLY 30 - HN VAL 40 25.000% * 0.2311% (0.64 1.0 0.02 0.02) = 0.231% HA MET 118 - HN VAL 40 25.000% * 0.1218% (0.34 1.0 0.02 0.02) = 0.122% Peak 383 (3.43, 8.71, 122.58 ppm): 7 chemical-shift based assignments, quality = 0.983, support = 0.994, residual support = 1.77: * O HA THR 39 - HN VAL 40 14.286% * 99.4062% (0.99 10.0 1.00 1.78) = 99.406% kept HB2 SER 69 - HN VAL 40 14.286% * 0.1881% (0.94 1.0 0.02 0.02) = 0.188% HB THR 79 - HN VAL 40 14.286% * 0.1835% (0.91 1.0 0.02 0.02) = 0.184% HA VAL 62 - HN VAL 40 14.286% * 0.1206% (0.60 1.0 0.02 0.02) = 0.121% HA VAL 80 - HN VAL 40 14.286% * 0.0348% (0.17 1.0 0.02 0.02) = 0.035% HB3 TRP 51 - HN VAL 40 14.286% * 0.0348% (0.17 1.0 0.02 0.02) = 0.035% HA ILE 48 - HN VAL 40 14.286% * 0.0319% (0.16 1.0 0.02 0.02) = 0.032% Peak 384 (8.16, 8.71, 122.58 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 3.65, residual support = 20.7: * T HN SER 41 - HN VAL 40 25.000% * 99.8911% (0.99 10.00 3.65 20.68) = 99.891% kept HN SER 77 - HN VAL 40 25.000% * 0.0686% (0.68 1.00 0.02 0.02) = 0.069% HN ASN 119 - HN VAL 40 25.000% * 0.0249% (0.25 1.00 0.02 0.02) = 0.025% HN ALA 33 - HN VAL 40 25.000% * 0.0154% (0.15 1.00 0.02 0.02) = 0.015% Peak 385 (0.71, 8.71, 122.58 ppm): 11 chemical-shift based assignments, quality = 0.688, support = 3.85, residual support = 20.7: * QG2 VAL 40 - HN VAL 40 9.091% * 95.5746% (0.72 4.02 21.63) = 95.575% kept HG LEU 74 - HN VAL 40 9.091% * 1.2478% (0.14 0.27 0.02) = 1.248% kept QG2 ILE 48 - HN VAL 40 9.091% * 0.6547% (0.99 0.02 0.02) = 0.655% QG2 ILE 101 - HN VAL 40 9.091% * 0.6417% (0.97 0.02 0.02) = 0.642% HG2 PRO 59 - HN VAL 40 9.091% * 0.5003% (0.76 0.02 0.02) = 0.500% HG LEU 67 - HN VAL 40 9.091% * 0.4754% (0.72 0.02 0.02) = 0.475% QD1 ILE 68 - HN VAL 40 9.091% * 0.3187% (0.48 0.02 0.02) = 0.319% QD1 ILE 19 - HN VAL 40 9.091% * 0.1820% (0.27 0.02 0.02) = 0.182% QG2 VAL 94 - HN VAL 40 9.091% * 0.1458% (0.22 0.02 0.02) = 0.146% HG12 ILE 19 - HN VAL 40 9.091% * 0.1296% (0.20 0.02 0.02) = 0.130% HG3 LYS+ 66 - HN VAL 40 9.091% * 0.1296% (0.20 0.02 0.02) = 0.130% Peak 386 (4.95, 8.71, 122.58 ppm): 1 chemical-shift based assignment, quality = 0.173, support = 0.02, residual support = 0.02: HA HIS+ 98 - HN VAL 40 100.000% *100.0000% (0.17 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.25 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): 24 chemical-shift based assignments, quality = 0.789, support = 1.27, residual support = 5.8: * HG3 GLU- 75 - HN GLU- 75 4.167% * 66.5362% (1.00 1.71 8.60) = 66.536% kept HG3 GLU- 18 - HN GLU- 75 4.167% * 12.2577% (0.69 0.46 0.14) = 12.258% kept HG3 GLU- 18 - HN LYS+ 113 4.167% * 6.5413% (0.23 0.71 0.92) = 6.541% kept HG3 GLU- 75 - HN LYS+ 113 4.167% * 3.9222% (0.34 0.29 0.02) = 3.922% kept HA1 GLY 58 - HN LYS+ 113 4.167% * 2.6206% (0.13 0.51 0.02) = 2.621% kept HA1 GLY 58 - HN GLU- 75 4.167% * 2.4514% (0.38 0.16 0.02) = 2.451% kept HB3 PRO 52 - HN GLU- 75 4.167% * 0.7201% (0.92 0.02 0.02) = 0.720% HG2 GLU- 56 - HN GLU- 75 4.167% * 0.6767% (0.87 0.02 0.02) = 0.677% HG3 MET 118 - HN GLU- 75 4.167% * 0.6516% (0.83 0.02 0.02) = 0.652% HG3 GLU- 107 - HN GLU- 75 4.167% * 0.5047% (0.65 0.02 0.02) = 0.505% HB2 GLU- 50 - HN GLU- 75 4.167% * 0.4732% (0.61 0.02 0.02) = 0.473% HB VAL 80 - HN GLU- 75 4.167% * 0.3797% (0.49 0.02 0.02) = 0.380% HG3 GLU- 109 - HN GLU- 75 4.167% * 0.3797% (0.49 0.02 0.02) = 0.380% HG3 MET 126 - HN GLU- 75 4.167% * 0.3207% (0.41 0.02 0.02) = 0.321% HB3 PRO 52 - HN LYS+ 113 4.167% * 0.2460% (0.31 0.02 0.02) = 0.246% HG2 GLU- 56 - HN LYS+ 113 4.167% * 0.2312% (0.30 0.02 0.02) = 0.231% HG3 MET 118 - HN LYS+ 113 4.167% * 0.2226% (0.28 0.02 0.02) = 0.223% HG3 GLU- 107 - HN LYS+ 113 4.167% * 0.1724% (0.22 0.02 0.02) = 0.172% HB2 GLU- 50 - HN LYS+ 113 4.167% * 0.1616% (0.21 0.02 0.02) = 0.162% HB VAL 80 - HN LYS+ 113 4.167% * 0.1297% (0.17 0.02 0.02) = 0.130% HG3 GLU- 109 - HN LYS+ 113 4.167% * 0.1297% (0.17 0.02 0.02) = 0.130% HG3 GLU- 54 - HN GLU- 75 4.167% * 0.1204% (0.15 0.02 0.12) = 0.120% HG3 MET 126 - HN LYS+ 113 4.167% * 0.1096% (0.14 0.02 0.02) = 0.110% HG3 GLU- 54 - HN LYS+ 113 4.167% * 0.0411% (0.05 0.02 0.02) = 0.041% Peak 392 (1.55, 8.43, 122.24 ppm): 20 chemical-shift based assignments, quality = 0.468, support = 0.662, residual support = 0.769: HB3 LEU 90 - HN GLU- 75 5.000% * 31.4294% (0.87 0.52 0.32) = 31.429% kept * HG LEU 74 - HN GLU- 75 5.000% * 16.4436% (0.14 1.72 3.20) = 16.444% kept QG2 THR 24 - HN LYS+ 113 5.000% * 15.5950% (0.34 0.66 0.70) = 15.595% kept HG LEU 17 - HN GLU- 75 5.000% * 13.1984% (0.37 0.50 0.02) = 13.198% kept HB3 LEU 90 - HN LYS+ 113 5.000% * 6.3066% (0.30 0.30 0.33) = 6.307% kept HB ILE 19 - HN GLU- 75 5.000% * 2.8025% (0.34 0.12 0.02) = 2.802% kept HG3 LYS+ 60 - HN LYS+ 113 5.000% * 2.0819% (0.11 0.28 0.02) = 2.082% kept HG LEU 74 - HN LYS+ 113 5.000% * 2.0444% (0.05 0.63 0.30) = 2.044% kept HG LEU 17 - HN LYS+ 113 5.000% * 2.0235% (0.13 0.23 0.02) = 2.024% kept QG2 THR 24 - HN GLU- 75 5.000% * 1.3844% (0.99 0.02 0.02) = 1.384% kept HG13 ILE 29 - HN GLU- 75 5.000% * 1.3213% (0.94 0.02 0.02) = 1.321% kept HB3 LEU 23 - HN GLU- 75 5.000% * 1.2526% (0.89 0.02 0.02) = 1.253% kept HD3 LYS+ 60 - HN LYS+ 113 5.000% * 0.9563% (0.15 0.09 0.02) = 0.956% QG2 VAL 80 - HN GLU- 75 5.000% * 0.7908% (0.56 0.02 0.02) = 0.791% HD3 LYS+ 60 - HN GLU- 75 5.000% * 0.6262% (0.45 0.02 0.02) = 0.626% HG13 ILE 29 - HN LYS+ 113 5.000% * 0.4513% (0.32 0.02 0.34) = 0.451% HG3 LYS+ 60 - HN GLU- 75 5.000% * 0.4311% (0.31 0.02 0.02) = 0.431% HB3 LEU 23 - HN LYS+ 113 5.000% * 0.4279% (0.31 0.02 1.01) = 0.428% QG2 VAL 80 - HN LYS+ 113 5.000% * 0.2701% (0.19 0.02 0.02) = 0.270% HB ILE 19 - HN LYS+ 113 5.000% * 0.1628% (0.12 0.02 0.02) = 0.163% Peak 393 (2.02, 8.43, 122.24 ppm): 30 chemical-shift based assignments, quality = 0.367, support = 2.2, residual support = 6.54: * O HB3 GLU- 75 - HN GLU- 75 3.333% * 35.9092% (0.40 10.0 2.00 8.60) = 35.909% kept O HB3 PRO 112 - HN LYS+ 113 3.333% * 30.5798% (0.34 10.0 1.99 5.65) = 30.580% kept O HB2 PRO 112 - HN LYS+ 113 3.333% * 30.5104% (0.34 10.0 2.83 5.65) = 30.510% kept HB2 GLU- 18 - HN GLU- 75 3.333% * 1.8486% (0.89 1.0 0.46 0.14) = 1.849% kept HB3 PRO 112 - HN GLU- 75 3.333% * 0.0901% (1.00 1.0 0.02 0.02) = 0.090% HG2 PRO 116 - HN GLU- 75 3.333% * 0.0899% (1.00 1.0 0.02 0.02) = 0.090% HB2 PRO 112 - HN GLU- 75 3.333% * 0.0893% (0.99 1.0 0.02 0.02) = 0.089% HG2 GLU- 64 - HN GLU- 75 3.333% * 0.0852% (0.94 1.0 0.02 0.02) = 0.085% HB3 PRO 31 - HN GLU- 75 3.333% * 0.0852% (0.94 1.0 0.02 0.02) = 0.085% HB2 LYS+ 44 - HN GLU- 75 3.333% * 0.0852% (0.94 1.0 0.02 0.02) = 0.085% HB VAL 105 - HN GLU- 75 3.333% * 0.0753% (0.83 1.0 0.02 0.02) = 0.075% HB3 GLU- 45 - HN GLU- 75 3.333% * 0.0689% (0.76 1.0 0.02 0.02) = 0.069% HG2 PRO 86 - HN GLU- 75 3.333% * 0.0654% (0.72 1.0 0.02 0.02) = 0.065% HB3 GLU- 107 - HN GLU- 75 3.333% * 0.0547% (0.61 1.0 0.02 0.02) = 0.055% HB3 LYS+ 110 - HN GLU- 75 3.333% * 0.0404% (0.45 1.0 0.02 0.02) = 0.040% HG2 PRO 116 - HN LYS+ 113 3.333% * 0.0307% (0.34 1.0 0.02 0.02) = 0.031% HB3 PRO 31 - HN LYS+ 113 3.333% * 0.0291% (0.32 1.0 0.02 0.02) = 0.029% HB2 LYS+ 44 - HN LYS+ 113 3.333% * 0.0291% (0.32 1.0 0.02 0.02) = 0.029% HG2 GLU- 64 - HN LYS+ 113 3.333% * 0.0291% (0.32 1.0 0.02 0.02) = 0.029% HB2 GLU- 18 - HN LYS+ 113 3.333% * 0.0276% (0.31 1.0 0.02 0.92) = 0.028% HB VAL 105 - HN LYS+ 113 3.333% * 0.0257% (0.28 1.0 0.02 0.02) = 0.026% HB3 GLU- 45 - HN LYS+ 113 3.333% * 0.0235% (0.26 1.0 0.02 0.02) = 0.024% HG3 PRO 86 - HN GLU- 75 3.333% * 0.0225% (0.25 1.0 0.02 0.02) = 0.022% HB VAL 62 - HN GLU- 75 3.333% * 0.0225% (0.25 1.0 0.02 0.02) = 0.022% HG2 PRO 86 - HN LYS+ 113 3.333% * 0.0224% (0.25 1.0 0.02 0.02) = 0.022% HB3 GLU- 107 - HN LYS+ 113 3.333% * 0.0187% (0.21 1.0 0.02 0.02) = 0.019% HB3 LYS+ 110 - HN LYS+ 113 3.333% * 0.0138% (0.15 1.0 0.02 0.02) = 0.014% HB3 GLU- 75 - HN LYS+ 113 3.333% * 0.0123% (0.14 1.0 0.02 0.02) = 0.012% HG3 PRO 86 - HN LYS+ 113 3.333% * 0.0077% (0.08 1.0 0.02 0.02) = 0.008% HB VAL 62 - HN LYS+ 113 3.333% * 0.0077% (0.08 1.0 0.02 0.02) = 0.008% Peak 394 (1.40, 8.43, 122.24 ppm): 18 chemical-shift based assignments, quality = 0.395, support = 1.12, residual support = 1.81: * HG LEU 74 - HN GLU- 75 5.556% * 55.7058% (0.44 1.72 3.20) = 55.706% kept QG2 THR 39 - HN GLU- 75 5.556% * 16.8725% (0.52 0.44 0.02) = 16.872% kept HG LEU 74 - HN LYS+ 113 5.556% * 6.9256% (0.15 0.63 0.30) = 6.926% kept QG2 THR 38 - HN LYS+ 113 5.556% * 6.6684% (0.22 0.41 0.02) = 6.668% kept QB ALA 37 - HN LYS+ 113 5.556% * 5.2737% (0.22 0.33 0.02) = 5.274% kept HD3 LYS+ 20 - HN GLU- 75 5.556% * 1.4595% (1.00 0.02 0.02) = 1.459% kept QB ALA 42 - HN GLU- 75 5.556% * 1.0622% (0.72 0.02 0.02) = 1.062% kept QG2 THR 39 - HN LYS+ 113 5.556% * 1.0590% (0.18 0.08 0.02) = 1.059% kept QB ALA 37 - HN GLU- 75 5.556% * 0.9462% (0.65 0.02 0.02) = 0.946% QG2 THR 38 - HN GLU- 75 5.556% * 0.9462% (0.65 0.02 0.02) = 0.946% HG3 LYS+ 108 - HN LYS+ 113 5.556% * 0.6960% (0.08 0.11 0.02) = 0.696% HG2 LYS+ 78 - HN GLU- 75 5.556% * 0.4989% (0.34 0.02 0.02) = 0.499% HD3 LYS+ 20 - HN LYS+ 113 5.556% * 0.4986% (0.34 0.02 0.02) = 0.499% HG3 LYS+ 108 - HN GLU- 75 5.556% * 0.3647% (0.25 0.02 0.02) = 0.365% HD3 LYS+ 44 - HN GLU- 75 5.556% * 0.3647% (0.25 0.02 0.02) = 0.365% QB ALA 42 - HN LYS+ 113 5.556% * 0.3628% (0.25 0.02 0.02) = 0.363% HG2 LYS+ 78 - HN LYS+ 113 5.556% * 0.1704% (0.12 0.02 0.02) = 0.170% HD3 LYS+ 44 - HN LYS+ 113 5.556% * 0.1246% (0.08 0.02 0.02) = 0.125% Peak 395 (1.89, 8.43, 122.24 ppm): 20 chemical-shift based assignments, quality = 0.649, support = 0.695, residual support = 0.397: HG2 GLU- 18 - HN GLU- 75 5.000% * 43.1057% (1.00 0.57 0.14) = 43.106% kept HG2 GLU- 18 - HN LYS+ 113 5.000% * 32.1856% (0.34 1.24 0.92) = 32.186% kept HB3 GLU- 54 - HN GLU- 75 5.000% * 13.0595% (0.61 0.28 0.12) = 13.060% kept HB2 LEU 23 - HN LYS+ 113 5.000% * 2.5134% (0.06 0.55 1.01) = 2.513% kept HB3 CYS 123 - HN GLU- 75 5.000% * 1.4416% (0.94 0.02 0.02) = 1.442% kept HB3 MET 118 - HN GLU- 75 5.000% * 1.1647% (0.76 0.02 0.02) = 1.165% kept HG3 LYS+ 120 - HN GLU- 75 5.000% * 1.0468% (0.69 0.02 0.02) = 1.047% kept HB3 ARG+ 84 - HN GLU- 75 5.000% * 0.9859% (0.65 0.02 0.02) = 0.986% HB3 GLN 102 - HN GLU- 75 5.000% * 0.8628% (0.56 0.02 3.10) = 0.863% HD3 LYS+ 63 - HN GLU- 75 5.000% * 0.5720% (0.37 0.02 0.02) = 0.572% HB3 CYS 123 - HN LYS+ 113 5.000% * 0.4925% (0.32 0.02 0.02) = 0.492% HB3 MET 118 - HN LYS+ 113 5.000% * 0.3978% (0.26 0.02 0.02) = 0.398% HG3 LYS+ 120 - HN LYS+ 113 5.000% * 0.3576% (0.23 0.02 0.02) = 0.358% HB3 ARG+ 84 - HN LYS+ 113 5.000% * 0.3368% (0.22 0.02 0.02) = 0.337% HB3 GLU- 54 - HN LYS+ 113 5.000% * 0.3158% (0.21 0.02 0.02) = 0.316% HB3 GLU- 56 - HN GLU- 75 5.000% * 0.3016% (0.20 0.02 0.02) = 0.302% HB3 GLN 102 - HN LYS+ 113 5.000% * 0.2947% (0.19 0.02 0.02) = 0.295% HB2 LEU 23 - HN GLU- 75 5.000% * 0.2669% (0.17 0.02 0.02) = 0.267% HD3 LYS+ 63 - HN LYS+ 113 5.000% * 0.1954% (0.13 0.02 0.02) = 0.195% HB3 GLU- 56 - HN LYS+ 113 5.000% * 0.1030% (0.07 0.02 0.02) = 0.103% Peak 396 (0.82, 8.43, 122.24 ppm): 24 chemical-shift based assignments, quality = 0.511, support = 1.25, residual support = 3.27: QG1 VAL 94 - HN LYS+ 113 4.167% * 13.4552% (0.33 1.97 1.47) = 13.455% kept HG3 LYS+ 113 - HN LYS+ 113 4.167% * 12.7323% (0.34 1.83 10.33) = 12.732% kept HG2 LYS+ 113 - HN LYS+ 113 4.167% * 12.6222% (0.32 1.91 10.33) = 12.622% kept QD2 LEU 67 - HN GLU- 75 4.167% * 12.2664% (0.69 0.87 0.02) = 12.266% kept QD2 LEU 90 - HN GLU- 75 4.167% * 12.2658% (0.92 0.65 0.32) = 12.266% kept * HG LEU 74 - HN GLU- 75 4.167% * 12.2299% (0.35 1.72 3.20) = 12.230% kept QD2 LEU 17 - HN GLU- 75 4.167% * 9.0795% (0.98 0.45 0.02) = 9.079% kept QD2 LEU 17 - HN LYS+ 113 4.167% * 5.1139% (0.33 0.75 0.02) = 5.114% kept QD1 ILE 29 - HN GLU- 75 4.167% * 3.7454% (0.69 0.27 0.02) = 3.745% kept QD2 LEU 90 - HN LYS+ 113 4.167% * 2.9865% (0.31 0.46 0.33) = 2.986% kept HG LEU 74 - HN LYS+ 113 4.167% * 1.5205% (0.12 0.63 0.30) = 1.520% kept HG3 LYS+ 113 - HN GLU- 75 4.167% * 0.4083% (1.00 0.02 0.02) = 0.408% QG1 VAL 94 - HN GLU- 75 4.167% * 0.4002% (0.98 0.02 0.02) = 0.400% HG2 LYS+ 113 - HN GLU- 75 4.167% * 0.3862% (0.94 0.02 0.02) = 0.386% QB ALA 93 - HN GLU- 75 4.167% * 0.1987% (0.49 0.02 0.02) = 0.199% HG2 LYS+ 117 - HN GLU- 75 4.167% * 0.1018% (0.25 0.02 0.02) = 0.102% QD2 LEU 67 - HN LYS+ 113 4.167% * 0.0958% (0.23 0.02 0.02) = 0.096% QD1 ILE 29 - HN LYS+ 113 4.167% * 0.0958% (0.23 0.02 0.34) = 0.096% QD1 ILE 100 - HN GLU- 75 4.167% * 0.0808% (0.20 0.02 0.02) = 0.081% QB ALA 93 - HN LYS+ 113 4.167% * 0.0679% (0.17 0.02 0.02) = 0.068% HG3 LYS+ 117 - HN GLU- 75 4.167% * 0.0630% (0.15 0.02 0.02) = 0.063% HG2 LYS+ 117 - HN LYS+ 113 4.167% * 0.0348% (0.08 0.02 0.02) = 0.035% QD1 ILE 100 - HN LYS+ 113 4.167% * 0.0276% (0.07 0.02 0.20) = 0.028% HG3 LYS+ 117 - HN LYS+ 113 4.167% * 0.0215% (0.05 0.02 0.02) = 0.022% Peak 397 (8.48, 8.50, 122.19 ppm): 1 diagonal assignment: * HN LYS+ 113 - HN LYS+ 113 (0.07) kept Peak 398 (4.72, 8.50, 122.19 ppm): 2 chemical-shift based assignments, quality = 0.156, support = 0.02, residual support = 0.02: HA PRO 31 - HN LYS+ 113 50.000% * 51.7770% (0.16 0.02 0.02) = 51.777% kept HA2 GLY 30 - HN LYS+ 113 50.000% * 48.2230% (0.15 0.02 0.02) = 48.223% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 399 (4.81, 8.50, 122.19 ppm): 3 chemical-shift based assignments, quality = 0.0403, support = 2.25, residual support = 10.3: * O HA LYS+ 113 - HN LYS+ 113 33.333% * 99.2830% (0.04 10.0 2.27 10.33) = 99.283% kept HA GLU- 107 - HN LYS+ 113 33.333% * 0.3982% (0.16 1.0 0.02 0.02) = 0.398% HA MET 97 - HN LYS+ 113 33.333% * 0.3188% (0.13 1.0 0.02 0.02) = 0.319% Peak 400 (1.84, 8.50, 122.19 ppm): 9 chemical-shift based assignments, quality = 0.158, support = 2.58, residual support = 5.06: * HG3 PRO 112 - HN LYS+ 113 11.111% * 89.6191% (0.16 2.87 5.65) = 89.619% kept HB2 PRO 104 - HN LYS+ 113 11.111% * 3.2429% (0.10 0.17 0.02) = 3.243% kept HB3 PRO 59 - HN LYS+ 113 11.111% * 2.7923% (0.16 0.09 0.02) = 2.792% kept HB2 PRO 59 - HN LYS+ 113 11.111% * 2.6414% (0.15 0.09 0.02) = 2.641% kept HB2 LYS+ 66 - HN LYS+ 113 11.111% * 0.6028% (0.16 0.02 0.02) = 0.603% HB3 LYS+ 72 - HN LYS+ 113 11.111% * 0.4041% (0.11 0.02 0.02) = 0.404% HD3 LYS+ 117 - HN LYS+ 113 11.111% * 0.3286% (0.09 0.02 0.02) = 0.329% HD3 LYS+ 72 - HN LYS+ 113 11.111% * 0.2131% (0.06 0.02 0.02) = 0.213% HB2 GLU- 109 - HN LYS+ 113 11.111% * 0.1557% (0.04 0.02 0.02) = 0.156% Peak 401 (4.40, 8.50, 122.19 ppm): 10 chemical-shift based assignments, quality = 0.139, support = 0.325, residual support = 0.251: HA THR 95 - HN LYS+ 113 10.000% * 76.3920% (0.16 0.41 0.30) = 76.392% kept HA THR 38 - HN LYS+ 113 10.000% * 5.3033% (0.03 0.16 0.02) = 5.303% kept HA ALA 37 - HN LYS+ 113 10.000% * 4.7711% (0.05 0.08 0.02) = 4.771% kept HA SER 88 - HN LYS+ 113 10.000% * 3.4415% (0.15 0.02 0.02) = 3.441% kept HA THR 24 - HN LYS+ 113 10.000% * 2.6359% (0.11 0.02 0.70) = 2.636% kept HA TRP 51 - HN LYS+ 113 10.000% * 2.1725% (0.09 0.02 0.02) = 2.173% kept HA LYS+ 66 - HN LYS+ 113 10.000% * 1.5776% (0.07 0.02 0.02) = 1.578% kept HA CYS 121 - HN LYS+ 113 10.000% * 1.4402% (0.06 0.02 0.02) = 1.440% kept HA ASN 57 - HN LYS+ 113 10.000% * 1.3090% (0.06 0.02 0.02) = 1.309% kept HA LYS+ 60 - HN LYS+ 113 10.000% * 0.9569% (0.04 0.02 0.02) = 0.957% Not enough quality. Peak unassigned. Peak 402 (2.20, 8.50, 122.19 ppm): 16 chemical-shift based assignments, quality = 0.159, support = 2.28, residual support = 9.89: * O HB2 LYS+ 113 - HN LYS+ 113 6.250% * 95.5890% (0.16 10.0 2.37 10.33) = 95.589% kept HB VAL 99 - HN LYS+ 113 6.250% * 1.6533% (0.12 1.0 0.45 0.02) = 1.653% kept HG3 GLU- 18 - HN LYS+ 113 6.250% * 1.4043% (0.07 1.0 0.71 0.92) = 1.404% kept HA1 GLY 58 - HN LYS+ 113 6.250% * 0.8015% (0.05 1.0 0.51 0.02) = 0.801% HG3 GLU- 54 - HN LYS+ 113 6.250% * 0.0922% (0.16 1.0 0.02 0.02) = 0.092% HG2 MET 126 - HN LYS+ 113 6.250% * 0.0904% (0.15 1.0 0.02 0.02) = 0.090% HG3 MET 126 - HN LYS+ 113 6.250% * 0.0657% (0.11 1.0 0.02 0.02) = 0.066% HG3 GLU- 109 - HN LYS+ 113 6.250% * 0.0580% (0.10 1.0 0.02 0.02) = 0.058% HB2 GLU- 50 - HN LYS+ 113 6.250% * 0.0465% (0.08 1.0 0.02 0.02) = 0.047% HG3 GLU- 107 - HN LYS+ 113 6.250% * 0.0429% (0.07 1.0 0.02 0.02) = 0.043% HB3 PRO 104 - HN LYS+ 113 6.250% * 0.0429% (0.07 1.0 0.02 0.02) = 0.043% HB2 ASP- 82 - HN LYS+ 113 6.250% * 0.0266% (0.05 1.0 0.02 0.02) = 0.027% HG3 MET 118 - HN LYS+ 113 6.250% * 0.0266% (0.05 1.0 0.02 0.02) = 0.027% HG2 GLN 102 - HN LYS+ 113 6.250% * 0.0238% (0.04 1.0 0.02 0.02) = 0.024% HB3 PRO 52 - HN LYS+ 113 6.250% * 0.0189% (0.03 1.0 0.02 0.02) = 0.019% HB3 GLU- 75 - HN LYS+ 113 6.250% * 0.0175% (0.03 1.0 0.02 0.02) = 0.017% Peak 403 (4.26, 8.50, 122.19 ppm): 13 chemical-shift based assignments, quality = 0.133, support = 0.712, residual support = 0.66: HA2 GLY 114 - HN LYS+ 113 7.692% * 56.1524% (0.13 1.11 1.16) = 56.152% kept HA GLU- 75 - HN LYS+ 113 7.692% * 18.5151% (0.16 0.29 0.02) = 18.515% kept HD3 PRO 59 - HN LYS+ 113 7.692% * 11.2698% (0.13 0.22 0.02) = 11.270% kept HA ALA 91 - HN LYS+ 113 7.692% * 4.6429% (0.12 0.10 0.02) = 4.643% kept HA PRO 59 - HN LYS+ 113 7.692% * 2.7436% (0.08 0.09 0.02) = 2.744% kept HA ARG+ 84 - HN LYS+ 113 7.692% * 1.1307% (0.15 0.02 0.02) = 1.131% kept HA GLU- 56 - HN LYS+ 113 7.692% * 1.1307% (0.15 0.02 0.02) = 1.131% kept HA VAL 65 - HN LYS+ 113 7.692% * 1.0936% (0.14 0.02 0.02) = 1.094% kept HA SER 85 - HN LYS+ 113 7.692% * 1.0096% (0.13 0.02 0.02) = 1.010% kept HA PRO 52 - HN LYS+ 113 7.692% * 1.0096% (0.13 0.02 0.02) = 1.010% kept HA LYS+ 108 - HN LYS+ 113 7.692% * 0.6633% (0.09 0.02 0.02) = 0.663% HA THR 106 - HN LYS+ 113 7.692% * 0.3891% (0.05 0.02 0.02) = 0.389% HA LEU 90 - HN LYS+ 113 7.692% * 0.2495% (0.03 0.02 0.33) = 0.250% Not enough quality. Peak unassigned. Peak 404 (4.79, 8.45, 122.40 ppm): 10 chemical-shift based assignments, quality = 0.659, support = 2.26, residual support = 10.3: * O HA LYS+ 113 - HN LYS+ 113 10.000% * 99.6135% (0.66 10.0 2.27 10.33) = 99.614% kept HA PRO 116 - HN LYS+ 113 10.000% * 0.0763% (0.51 1.0 0.02 0.02) = 0.076% HA ASP- 115 - HN LYS+ 113 10.000% * 0.0584% (0.39 1.0 0.02 0.02) = 0.058% HA LYS+ 113 - HN GLU- 75 10.000% * 0.0577% (0.38 1.0 0.02 0.02) = 0.058% HA GLU- 107 - HN LYS+ 113 10.000% * 0.0541% (0.36 1.0 0.02 0.02) = 0.054% HA PRO 116 - HN GLU- 75 10.000% * 0.0442% (0.29 1.0 0.02 0.02) = 0.044% HA ASP- 115 - HN GLU- 75 10.000% * 0.0338% (0.22 1.0 0.02 0.02) = 0.034% HA GLU- 107 - HN GLU- 75 10.000% * 0.0313% (0.21 1.0 0.02 0.02) = 0.031% HA MET 97 - HN LYS+ 113 10.000% * 0.0195% (0.13 1.0 0.02 0.02) = 0.019% HA MET 97 - HN GLU- 75 10.000% * 0.0113% (0.07 1.0 0.02 0.02) = 0.011% Peak 406 (0.83, 8.45, 122.40 ppm): 24 chemical-shift based assignments, quality = 0.618, support = 1.54, residual support = 5.13: QG1 VAL 94 - HN LYS+ 113 4.167% * 23.8687% (0.73 1.97 1.47) = 23.869% kept HG2 LYS+ 113 - HN LYS+ 113 4.167% * 23.4086% (0.74 1.91 10.33) = 23.409% kept HG3 LYS+ 113 - HN LYS+ 113 4.167% * 21.1297% (0.70 1.83 10.33) = 21.130% kept QD2 LEU 17 - HN LYS+ 113 4.167% * 7.9393% (0.64 0.75 0.02) = 7.939% kept HG LEU 74 - HN GLU- 75 4.167% * 4.3901% (0.15 1.72 3.20) = 4.390% kept QD2 LEU 90 - HN LYS+ 113 4.167% * 4.3375% (0.56 0.46 0.33) = 4.338% kept QD2 LEU 90 - HN GLU- 75 4.167% * 3.5224% (0.33 0.65 0.32) = 3.522% kept QD2 LEU 67 - HN GLU- 75 4.167% * 3.0151% (0.21 0.87 0.02) = 3.015% kept QD2 LEU 17 - HN GLU- 75 4.167% * 2.7871% (0.37 0.45 0.02) = 2.787% kept HG LEU 74 - HN LYS+ 113 4.167% * 2.7604% (0.27 0.63 0.30) = 2.760% kept QD1 ILE 29 - HN GLU- 75 4.167% * 1.6406% (0.37 0.27 0.02) = 1.641% kept QD1 ILE 29 - HN LYS+ 113 4.167% * 0.2122% (0.64 0.02 0.34) = 0.212% HG2 LYS+ 113 - HN GLU- 75 4.167% * 0.1416% (0.43 0.02 0.02) = 0.142% QG1 VAL 94 - HN GLU- 75 4.167% * 0.1404% (0.42 0.02 0.02) = 0.140% HG3 LYS+ 113 - HN GLU- 75 4.167% * 0.1340% (0.40 0.02 0.02) = 0.134% QD2 LEU 67 - HN LYS+ 113 4.167% * 0.1191% (0.36 0.02 0.02) = 0.119% HG2 LYS+ 117 - HN LYS+ 113 4.167% * 0.1006% (0.30 0.02 0.02) = 0.101% QB ALA 93 - HN LYS+ 113 4.167% * 0.0755% (0.23 0.02 0.02) = 0.076% HG3 LYS+ 117 - HN LYS+ 113 4.167% * 0.0680% (0.20 0.02 0.02) = 0.068% HG2 LYS+ 117 - HN GLU- 75 4.167% * 0.0582% (0.18 0.02 0.02) = 0.058% QB ALA 93 - HN GLU- 75 4.167% * 0.0437% (0.13 0.02 0.02) = 0.044% HB ILE 101 - HN LYS+ 113 4.167% * 0.0428% (0.13 0.02 0.02) = 0.043% HG3 LYS+ 117 - HN GLU- 75 4.167% * 0.0394% (0.12 0.02 0.02) = 0.039% HB ILE 101 - HN GLU- 75 4.167% * 0.0248% (0.07 0.02 3.18) = 0.025% Peak 407 (4.30, 8.45, 122.40 ppm): 22 chemical-shift based assignments, quality = 0.297, support = 2.0, residual support = 5.31: * O HA PRO 112 - HN LYS+ 113 4.545% * 93.9734% (0.30 10.0 2.12 5.65) = 93.973% kept HA LEU 90 - HN GLU- 75 4.545% * 2.2997% (0.38 1.0 0.39 0.32) = 2.300% kept HA ILE 29 - HN GLU- 75 4.545% * 1.2138% (0.29 1.0 0.27 0.02) = 1.214% kept HD3 PRO 59 - HN LYS+ 113 4.545% * 0.7095% (0.20 1.0 0.22 0.02) = 0.709% HA ALA 91 - HN LYS+ 113 4.545% * 0.3400% (0.23 1.0 0.10 0.02) = 0.340% HA PRO 104 - HN LYS+ 113 4.545% * 0.2162% (0.70 1.0 0.02 0.02) = 0.216% HA LEU 90 - HN LYS+ 113 4.545% * 0.2050% (0.66 1.0 0.02 0.33) = 0.205% HA THR 106 - HN LYS+ 113 4.545% * 0.1747% (0.56 1.0 0.02 0.02) = 0.175% HA ILE 29 - HN LYS+ 113 4.545% * 0.1570% (0.51 1.0 0.02 0.34) = 0.157% HA PRO 104 - HN GLU- 75 4.545% * 0.1252% (0.40 1.0 0.02 0.02) = 0.125% HA THR 106 - HN GLU- 75 4.545% * 0.1011% (0.33 1.0 0.02 0.02) = 0.101% HA SER 85 - HN LYS+ 113 4.545% * 0.0636% (0.20 1.0 0.02 0.02) = 0.064% HA PRO 52 - HN LYS+ 113 4.545% * 0.0636% (0.20 1.0 0.02 0.02) = 0.064% HA PRO 112 - HN GLU- 75 4.545% * 0.0544% (0.18 1.0 0.02 0.02) = 0.054% HA VAL 65 - HN LYS+ 113 4.545% * 0.0509% (0.16 1.0 0.02 0.02) = 0.051% HA ARG+ 84 - HN LYS+ 113 4.545% * 0.0452% (0.15 1.0 0.02 0.02) = 0.045% HA ALA 91 - HN GLU- 75 4.545% * 0.0408% (0.13 1.0 0.02 0.02) = 0.041% HD3 PRO 59 - HN GLU- 75 4.545% * 0.0368% (0.12 1.0 0.02 0.02) = 0.037% HA PRO 52 - HN GLU- 75 4.545% * 0.0368% (0.12 1.0 0.02 0.02) = 0.037% HA SER 85 - HN GLU- 75 4.545% * 0.0368% (0.12 1.0 0.02 0.02) = 0.037% HA VAL 65 - HN GLU- 75 4.545% * 0.0295% (0.09 1.0 0.02 0.02) = 0.029% HA ARG+ 84 - HN GLU- 75 4.545% * 0.0262% (0.08 1.0 0.02 0.02) = 0.026% Peak 408 (4.25, 8.43, 122.17 ppm): 30 chemical-shift based assignments, quality = 0.66, support = 1.9, residual support = 7.94: * O HA GLU- 75 - HN GLU- 75 3.333% * 91.9918% (0.69 10.0 2.00 8.60) = 91.992% kept HA GLU- 18 - HN GLU- 75 3.333% * 2.6898% (0.39 1.0 1.03 0.14) = 2.690% kept HA GLU- 54 - HN GLU- 75 3.333% * 2.0243% (0.50 1.0 0.61 0.12) = 2.024% kept HA2 GLY 114 - HN LYS+ 113 3.333% * 1.7120% (0.23 1.0 1.11 1.16) = 1.712% kept HA GLU- 75 - HN LYS+ 113 3.333% * 0.3356% (0.17 1.0 0.29 0.02) = 0.336% HA PRO 59 - HN LYS+ 113 3.333% * 0.1328% (0.22 1.0 0.09 0.02) = 0.133% HA2 GLY 114 - HN GLU- 75 3.333% * 0.1242% (0.93 1.0 0.02 0.02) = 0.124% HA LYS+ 108 - HN GLU- 75 3.333% * 0.1223% (0.92 1.0 0.02 0.02) = 0.122% HA PRO 59 - HN GLU- 75 3.333% * 0.1198% (0.90 1.0 0.02 0.02) = 0.120% HA GLU- 56 - HN GLU- 75 3.333% * 0.1169% (0.88 1.0 0.02 0.02) = 0.117% HD3 PRO 59 - HN LYS+ 113 3.333% * 0.1082% (0.07 1.0 0.22 0.02) = 0.108% HA SER 49 - HN GLU- 75 3.333% * 0.0568% (0.43 1.0 0.02 0.02) = 0.057% HA ARG+ 84 - HN GLU- 75 3.333% * 0.0521% (0.39 1.0 0.02 0.02) = 0.052% HA VAL 65 - HN GLU- 75 3.333% * 0.0475% (0.36 1.0 0.02 0.02) = 0.048% HA ALA 91 - HN LYS+ 113 3.333% * 0.0421% (0.07 1.0 0.10 0.02) = 0.042% HA SER 85 - HN GLU- 75 3.333% * 0.0391% (0.29 1.0 0.02 0.02) = 0.039% HA PRO 52 - HN GLU- 75 3.333% * 0.0391% (0.29 1.0 0.02 0.02) = 0.039% HD3 PRO 59 - HN GLU- 75 3.333% * 0.0391% (0.29 1.0 0.02 0.02) = 0.039% HA ALA 91 - HN GLU- 75 3.333% * 0.0352% (0.26 1.0 0.02 0.02) = 0.035% HA LYS+ 108 - HN LYS+ 113 3.333% * 0.0303% (0.23 1.0 0.02 0.02) = 0.030% HA GLU- 56 - HN LYS+ 113 3.333% * 0.0290% (0.22 1.0 0.02 0.02) = 0.029% HA ALA 42 - HN GLU- 75 3.333% * 0.0195% (0.15 1.0 0.02 0.02) = 0.020% HA GLU- 54 - HN LYS+ 113 3.333% * 0.0165% (0.12 1.0 0.02 0.02) = 0.017% HA SER 49 - HN LYS+ 113 3.333% * 0.0141% (0.11 1.0 0.02 0.02) = 0.014% HA GLU- 18 - HN LYS+ 113 3.333% * 0.0129% (0.10 1.0 0.02 0.92) = 0.013% HA ARG+ 84 - HN LYS+ 113 3.333% * 0.0129% (0.10 1.0 0.02 0.02) = 0.013% HA VAL 65 - HN LYS+ 113 3.333% * 0.0118% (0.09 1.0 0.02 0.02) = 0.012% HA PRO 52 - HN LYS+ 113 3.333% * 0.0097% (0.07 1.0 0.02 0.02) = 0.010% HA SER 85 - HN LYS+ 113 3.333% * 0.0097% (0.07 1.0 0.02 0.02) = 0.010% HA ALA 42 - HN LYS+ 113 3.333% * 0.0048% (0.04 1.0 0.02 0.02) = 0.005% 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 = 0.53, support = 1.23, residual support = 0.486: * HB3 ARG+ 53 - HN LYS+ 55 14.286% * 67.8851% (0.56 1.64 0.68) = 67.885% kept HB3 GLU- 18 - HN LYS+ 55 14.286% * 15.6100% (0.56 0.38 0.11) = 15.610% kept HB3 GLU- 50 - HN LYS+ 55 14.286% * 6.9920% (0.28 0.34 0.13) = 6.992% kept HG2 PRO 31 - HN LYS+ 55 14.286% * 6.3085% (0.17 0.49 0.02) = 6.309% kept HB VAL 94 - HN LYS+ 55 14.286% * 1.4620% (0.99 0.02 0.02) = 1.462% kept HB2 ARG+ 84 - HN LYS+ 55 14.286% * 1.4523% (0.99 0.02 0.02) = 1.452% kept HB3 PRO 116 - HN LYS+ 55 14.286% * 0.2900% (0.20 0.02 0.02) = 0.290% Peak 414 (9.06, 7.81, 122.18 ppm): 2 chemical-shift based assignments, quality = 0.83, support = 3.25, residual support = 13.0: * T HN GLU- 54 - HN LYS+ 55 50.000% * 99.9131% (0.83 10.00 3.26 13.04) = 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): 16 chemical-shift based assignments, quality = 0.574, support = 3.71, residual support = 15.8: * O HB3 LYS+ 55 - HN LYS+ 55 6.250% * 80.1977% (0.60 10.0 4.17 17.46) = 80.198% kept HB3 GLU- 56 - HN LYS+ 55 6.250% * 6.9887% (0.68 1.0 1.54 14.37) = 6.989% kept HB3 GLU- 54 - HN LYS+ 55 6.250% * 6.0381% (0.25 1.0 3.66 13.04) = 6.038% kept HG3 PRO 31 - HN LYS+ 55 6.250% * 3.2800% (0.56 1.0 0.88 0.02) = 3.280% kept HD3 LYS+ 63 - HN LYS+ 55 6.250% * 1.9703% (0.45 1.0 0.66 0.02) = 1.970% kept HB3 GLN 102 - HN LYS+ 55 6.250% * 0.7227% (0.28 1.0 0.39 0.02) = 0.723% HB2 PRO 116 - HN LYS+ 55 6.250% * 0.1311% (0.99 1.0 0.02 0.02) = 0.131% HG2 PRO 112 - HN LYS+ 55 6.250% * 0.1276% (0.96 1.0 0.02 0.02) = 0.128% HB ILE 29 - HN LYS+ 55 6.250% * 0.1251% (0.94 1.0 0.02 0.02) = 0.125% HB3 PRO 35 - HN LYS+ 55 6.250% * 0.1104% (0.83 1.0 0.02 0.02) = 0.110% HB2 GLU- 75 - HN LYS+ 55 6.250% * 0.1059% (0.80 1.0 0.02 0.02) = 0.106% HB2 LEU 23 - HN LYS+ 55 6.250% * 0.0960% (0.72 1.0 0.02 0.02) = 0.096% HG3 PRO 116 - HN LYS+ 55 6.250% * 0.0368% (0.28 1.0 0.02 0.02) = 0.037% HB VAL 122 - HN LYS+ 55 6.250% * 0.0262% (0.20 1.0 0.02 0.02) = 0.026% HB3 GLU- 109 - HN LYS+ 55 6.250% * 0.0232% (0.17 1.0 0.02 0.02) = 0.023% HB3 MET 118 - HN LYS+ 55 6.250% * 0.0204% (0.15 1.0 0.02 0.02) = 0.020% Peak 416 (4.50, 7.81, 122.18 ppm): 6 chemical-shift based assignments, quality = 0.972, support = 3.73, residual support = 17.4: * O HA LYS+ 55 - HN LYS+ 55 16.667% * 99.6379% (0.98 10.0 3.75 17.46) = 99.638% kept HB THR 46 - HN LYS+ 55 16.667% * 0.0996% (0.98 1.0 0.02 0.02) = 0.100% HA SER 77 - HN LYS+ 55 16.667% * 0.0912% (0.89 1.0 0.02 0.02) = 0.091% HA CYS 123 - HN LYS+ 55 16.667% * 0.0814% (0.80 1.0 0.02 0.02) = 0.081% HA ASN 76 - HN LYS+ 55 16.667% * 0.0617% (0.60 1.0 0.02 0.02) = 0.062% HA LYS+ 78 - HN LYS+ 55 16.667% * 0.0283% (0.28 1.0 0.02 0.02) = 0.028% Peak 417 (4.23, 7.81, 122.18 ppm): 12 chemical-shift based assignments, quality = 0.96, support = 2.69, residual support = 12.5: * O HA GLU- 54 - HN LYS+ 55 8.333% * 93.3805% (0.99 10.0 2.81 13.04) = 93.380% kept HA GLU- 56 - HN LYS+ 55 8.333% * 2.3250% (0.25 1.0 1.98 14.37) = 2.325% kept HA LYS+ 110 - HN LYS+ 55 8.333% * 1.9998% (0.76 1.0 0.56 0.02) = 2.000% kept HA GLU- 18 - HN LYS+ 55 8.333% * 1.8622% (0.99 1.0 0.40 0.11) = 1.862% kept HA SER 49 - HN LYS+ 55 8.333% * 0.0942% (1.00 1.0 0.02 0.02) = 0.094% HA ALA 42 - HN LYS+ 55 8.333% * 0.0754% (0.80 1.0 0.02 0.02) = 0.075% HB3 SER 49 - HN LYS+ 55 8.333% * 0.0684% (0.72 1.0 0.02 0.02) = 0.068% HA PRO 59 - HN LYS+ 55 8.333% * 0.0609% (0.64 1.0 0.02 0.02) = 0.061% HA LYS+ 108 - HN LYS+ 55 8.333% * 0.0571% (0.60 1.0 0.02 0.02) = 0.057% HA2 GLY 114 - HN LYS+ 55 8.333% * 0.0321% (0.34 1.0 0.02 0.02) = 0.032% HA GLU- 109 - HN LYS+ 55 8.333% * 0.0291% (0.31 1.0 0.02 0.02) = 0.029% HA LYS+ 44 - HN LYS+ 55 8.333% * 0.0151% (0.16 1.0 0.02 0.02) = 0.015% Peak 418 (2.19, 7.81, 122.18 ppm): 14 chemical-shift based assignments, quality = 0.494, support = 2.18, residual support = 9.49: * HG3 GLU- 54 - HN LYS+ 55 7.143% * 72.6649% (0.60 2.79 13.04) = 72.665% kept HB3 GLU- 75 - HN LYS+ 55 7.143% * 8.5639% (0.25 0.78 0.02) = 8.564% kept HA1 GLY 58 - HN LYS+ 55 7.143% * 7.0159% (0.31 0.53 0.02) = 7.016% kept HB2 GLU- 50 - HN LYS+ 55 7.143% * 5.3264% (0.15 0.80 0.13) = 5.326% kept HG3 GLU- 109 - HN LYS+ 55 7.143% * 1.6806% (0.22 0.18 0.02) = 1.681% kept HB VAL 99 - HN LYS+ 55 7.143% * 0.8595% (1.00 0.02 0.02) = 0.859% HG2 MET 126 - HN LYS+ 55 7.143% * 0.7934% (0.92 0.02 0.02) = 0.793% HB3 PRO 104 - HN LYS+ 55 7.143% * 0.7455% (0.86 0.02 0.02) = 0.746% HB2 LYS+ 113 - HN LYS+ 55 7.143% * 0.6568% (0.76 0.02 0.02) = 0.657% HB2 ASP- 82 - HN LYS+ 55 7.143% * 0.5904% (0.68 0.02 0.02) = 0.590% HG2 GLN 102 - HN LYS+ 55 7.143% * 0.5560% (0.64 0.02 0.02) = 0.556% HG3 MET 126 - HN LYS+ 55 7.143% * 0.2390% (0.28 0.02 0.02) = 0.239% HG2 PRO 104 - HN LYS+ 55 7.143% * 0.1913% (0.22 0.02 0.02) = 0.191% HG3 GLU- 107 - HN LYS+ 55 7.143% * 0.1163% (0.13 0.02 0.02) = 0.116% Peak 419 (1.28, 7.81, 122.18 ppm): 5 chemical-shift based assignments, quality = 0.753, support = 3.53, residual support = 16.0: * O HB2 LYS+ 55 - HN LYS+ 55 20.000% * 89.9690% (0.76 10.0 3.75 17.46) = 89.969% kept HG2 LYS+ 32 - HN LYS+ 55 20.000% * 7.8273% (0.68 1.0 1.94 3.28) = 7.827% kept HG LEU 74 - HN LYS+ 55 20.000% * 2.0251% (0.76 1.0 0.45 0.02) = 2.025% kept HB3 LEU 74 - HN LYS+ 55 20.000% * 0.1167% (0.99 1.0 0.02 0.02) = 0.117% QG2 THR 46 - HN LYS+ 55 20.000% * 0.0619% (0.52 1.0 0.02 0.02) = 0.062% Peak 420 (1.60, 7.81, 122.18 ppm): 12 chemical-shift based assignments, quality = 0.883, support = 0.912, residual support = 2.5: HD3 LYS+ 32 - HN LYS+ 55 8.333% * 50.4104% (0.99 1.27 3.28) = 50.410% kept HB3 LYS+ 32 - HN LYS+ 55 8.333% * 25.5123% (0.76 0.84 3.28) = 25.512% kept HG3 LYS+ 110 - HN LYS+ 55 8.333% * 9.2087% (0.83 0.28 0.02) = 9.209% kept HG2 LYS+ 110 - HN LYS+ 55 8.333% * 8.9216% (0.80 0.28 0.02) = 8.922% kept HB3 LEU 17 - HN LYS+ 55 8.333% * 4.7294% (0.94 0.13 0.02) = 4.729% kept HG3 LYS+ 78 - HN LYS+ 55 8.333% * 0.3578% (0.45 0.02 0.02) = 0.358% HB ILE 100 - HN LYS+ 55 8.333% * 0.1579% (0.20 0.02 0.02) = 0.158% HG12 ILE 101 - HN LYS+ 55 8.333% * 0.1579% (0.20 0.02 0.02) = 0.158% HB2 LEU 67 - HN LYS+ 55 8.333% * 0.1579% (0.20 0.02 0.02) = 0.158% HG3 LYS+ 60 - HN LYS+ 55 8.333% * 0.1398% (0.17 0.02 0.02) = 0.140% HG LEU 23 - HN LYS+ 55 8.333% * 0.1231% (0.15 0.02 0.02) = 0.123% HB ILE 19 - HN LYS+ 55 8.333% * 0.1231% (0.15 0.02 2.06) = 0.123% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 433 (2.14, 7.32, 122.31 ppm): 9 chemical-shift based assignments, quality = 0.967, support = 4.37, residual support = 36.1: * O HB VAL 47 - HN VAL 47 11.111% * 95.9757% (0.98 10.0 4.51 37.60) = 95.976% kept HB3 GLU- 75 - HN VAL 47 11.111% * 3.6697% (0.75 1.0 1.00 0.02) = 3.670% kept HG3 GLN 102 - HN VAL 47 11.111% * 0.0970% (0.99 1.0 0.02 0.26) = 0.097% HB2 ASP- 28 - HN VAL 47 11.111% * 0.0960% (0.98 1.0 0.02 0.02) = 0.096% HB3 LYS+ 78 - HN VAL 47 11.111% * 0.0818% (0.83 1.0 0.02 0.02) = 0.082% HG2 PRO 104 - HN VAL 47 11.111% * 0.0244% (0.25 1.0 0.02 0.02) = 0.024% HA1 GLY 58 - HN VAL 47 11.111% * 0.0231% (0.24 1.0 0.02 0.02) = 0.023% HG3 GLU- 56 - HN VAL 47 11.111% * 0.0171% (0.17 1.0 0.02 0.02) = 0.017% HB3 LEU 43 - HN VAL 47 11.111% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% Peak 434 (4.50, 7.32, 122.31 ppm): 6 chemical-shift based assignments, quality = 0.973, support = 2.37, residual support = 9.44: * HB THR 46 - HN VAL 47 16.667% * 87.8450% (0.99 2.66 10.75) = 87.845% kept HA LYS+ 55 - HN VAL 47 16.667% * 10.4842% (0.99 0.32 0.02) = 10.484% kept HA SER 77 - HN VAL 47 16.667% * 0.5782% (0.87 0.02 0.02) = 0.578% HA CYS 123 - HN VAL 47 16.667% * 0.5094% (0.76 0.02 0.02) = 0.509% HA ASN 76 - HN VAL 47 16.667% * 0.3774% (0.57 0.02 0.02) = 0.377% HA LYS+ 78 - HN VAL 47 16.667% * 0.2057% (0.31 0.02 0.02) = 0.206% Peak 435 (7.78, 7.32, 122.31 ppm): 6 chemical-shift based assignments, quality = 0.832, support = 4.65, residual support = 10.7: * T HN THR 46 - HN VAL 47 16.667% * 99.7488% (0.83 10.00 4.66 10.75) = 99.749% kept HN VAL 87 - HN VAL 47 16.667% * 0.0956% (0.80 1.00 0.02 0.02) = 0.096% HN SER 124 - HN VAL 47 16.667% * 0.0448% (0.37 1.00 0.02 0.02) = 0.045% HN ALA 37 - HN VAL 47 16.667% * 0.0407% (0.34 1.00 0.02 0.02) = 0.041% HN VAL 125 - HN VAL 47 16.667% * 0.0369% (0.31 1.00 0.02 0.02) = 0.037% HN ALA 93 - HN VAL 47 16.667% * 0.0332% (0.28 1.00 0.02 0.02) = 0.033% Peak 436 (0.89, 7.32, 122.31 ppm): 14 chemical-shift based assignments, quality = 0.771, support = 3.96, residual support = 32.4: * QG2 VAL 47 - HN VAL 47 7.143% * 48.7982% (0.90 4.45 37.60) = 48.798% kept QG1 VAL 47 - HN VAL 47 7.143% * 37.0189% (0.73 4.17 37.60) = 37.019% kept HG LEU 74 - HN VAL 47 7.143% * 12.3855% (0.53 1.92 0.85) = 12.385% kept QG1 VAL 80 - HN VAL 47 7.143% * 0.2437% (1.00 0.02 0.02) = 0.244% QG1 VAL 122 - HN VAL 47 7.143% * 0.2395% (0.98 0.02 0.02) = 0.239% QG2 VAL 125 - HN VAL 47 7.143% * 0.2119% (0.87 0.02 0.02) = 0.212% QG1 VAL 40 - HN VAL 47 7.143% * 0.2040% (0.83 0.02 0.02) = 0.204% QG2 VAL 105 - HN VAL 47 7.143% * 0.1867% (0.76 0.02 0.02) = 0.187% QD1 LEU 67 - HN VAL 47 7.143% * 0.1580% (0.65 0.02 0.02) = 0.158% QG2 VAL 87 - HN VAL 47 7.143% * 0.1482% (0.61 0.02 0.02) = 0.148% HG13 ILE 68 - HN VAL 47 7.143% * 0.1383% (0.57 0.02 0.02) = 0.138% QG2 VAL 122 - HN VAL 47 7.143% * 0.1383% (0.57 0.02 0.02) = 0.138% QG2 ILE 100 - HN VAL 47 7.143% * 0.0679% (0.28 0.02 0.02) = 0.068% QD1 LEU 90 - HN VAL 47 7.143% * 0.0609% (0.25 0.02 0.02) = 0.061% Peak 437 (1.29, 7.32, 122.31 ppm): 6 chemical-shift based assignments, quality = 0.822, support = 2.15, residual support = 5.92: * QG2 THR 46 - HN VAL 47 16.667% * 52.2442% (0.94 2.88 10.75) = 52.244% kept HG LEU 74 - HN VAL 47 16.667% * 26.8892% (0.73 1.92 0.85) = 26.889% kept HB3 LEU 74 - HN VAL 47 16.667% * 6.8822% (0.80 0.45 0.85) = 6.882% kept HG2 LYS+ 32 - HN VAL 47 16.667% * 6.0467% (0.25 1.26 0.10) = 6.047% kept HB2 LYS+ 55 - HN VAL 47 16.667% * 5.0723% (1.00 0.27 0.02) = 5.072% kept QB ALA 103 - HN VAL 47 16.667% * 2.8654% (0.41 0.36 0.39) = 2.865% kept Peak 438 (3.08, 7.32, 122.31 ppm): 3 chemical-shift based assignments, quality = 0.524, support = 4.1, residual support = 37.5: * O HA VAL 47 - HN VAL 47 33.333% * 99.8033% (0.53 10.0 4.11 37.60) = 99.803% kept HB3 ASP- 25 - HN VAL 47 33.333% * 0.1303% (0.69 1.0 0.02 0.02) = 0.130% HA1 GLY 58 - HN VAL 47 33.333% * 0.0664% (0.35 1.0 0.02 0.02) = 0.066% Peak 439 (8.48, 8.48, 122.22 ppm): 1 diagonal assignment: * HN LYS+ 113 - HN LYS+ 113 (0.33) kept Peak 440 (4.37, 8.48, 122.22 ppm): 12 chemical-shift based assignments, quality = 0.391, support = 0.395, residual support = 0.275: HA2 GLY 26 - HN LYS+ 113 8.333% * 40.2043% (0.53 0.40 0.02) = 40.204% kept HA VAL 94 - HN LYS+ 113 8.333% * 16.2785% (0.08 1.00 1.47) = 16.279% kept HA THR 38 - HN LYS+ 113 8.333% * 16.0120% (0.53 0.16 0.02) = 16.012% kept HA ALA 37 - HN LYS+ 113 8.333% * 7.0744% (0.46 0.08 0.02) = 7.074% kept HA THR 95 - HN LYS+ 113 8.333% * 6.5885% (0.08 0.41 0.30) = 6.589% kept HB THR 61 - HN LYS+ 113 8.333% * 5.2287% (0.11 0.25 0.02) = 5.229% kept HA LYS+ 60 - HN LYS+ 113 8.333% * 1.8856% (0.49 0.02 0.02) = 1.886% kept HA LYS+ 117 - HN LYS+ 113 8.333% * 1.8856% (0.49 0.02 0.02) = 1.886% kept HA ASN 57 - HN LYS+ 113 8.333% * 1.6836% (0.44 0.02 0.02) = 1.684% kept HA1 GLY 26 - HN LYS+ 113 8.333% * 1.4442% (0.38 0.02 0.02) = 1.444% kept HA TRP 51 - HN LYS+ 113 8.333% * 1.1903% (0.31 0.02 0.02) = 1.190% kept HA SER 88 - HN LYS+ 113 8.333% * 0.5243% (0.14 0.02 0.02) = 0.524% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 441 (4.78, 8.48, 122.22 ppm): 3 chemical-shift based assignments, quality = 0.518, support = 2.26, residual support = 10.3: * O HA LYS+ 113 - HN LYS+ 113 33.333% * 99.7949% (0.52 10.0 2.27 10.33) = 99.795% kept HA PRO 116 - HN LYS+ 113 33.333% * 0.1053% (0.55 1.0 0.02 0.02) = 0.105% HA ASP- 115 - HN LYS+ 113 33.333% * 0.0998% (0.52 1.0 0.02 0.02) = 0.100% Peak 442 (1.76, 8.48, 122.22 ppm): 8 chemical-shift based assignments, quality = 0.472, support = 0.565, residual support = 1.22: HB VAL 94 - HN LYS+ 113 12.500% * 64.0432% (0.52 0.68 1.47) = 64.043% kept HB3 GLU- 18 - HN LYS+ 113 12.500% * 30.6576% (0.40 0.42 0.92) = 30.658% kept HB2 ARG+ 84 - HN LYS+ 113 12.500% * 1.9788% (0.54 0.02 0.02) = 1.979% kept HB3 ARG+ 53 - HN LYS+ 113 12.500% * 1.4498% (0.40 0.02 0.02) = 1.450% kept HB3 PRO 116 - HN LYS+ 113 12.500% * 0.6162% (0.17 0.02 0.02) = 0.616% HG2 PRO 31 - HN LYS+ 113 12.500% * 0.5551% (0.15 0.02 0.02) = 0.555% HB3 GLU- 50 - HN LYS+ 113 12.500% * 0.3497% (0.10 0.02 0.02) = 0.350% HB3 LYS+ 63 - HN LYS+ 113 12.500% * 0.3497% (0.10 0.02 0.02) = 0.350% 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): 8 chemical-shift based assignments, quality = 0.995, support = 3.49, residual support = 34.6: * O HB3 LYS+ 72 - HN LYS+ 72 12.500% * 99.6102% (1.00 10.0 3.50 34.75) = 99.610% kept HB2 PRO 104 - HN LYS+ 72 12.500% * 0.0994% (1.00 1.0 0.02 0.02) = 0.099% HB2 LYS+ 66 - HN LYS+ 72 12.500% * 0.0798% (0.80 1.0 0.02 0.02) = 0.080% HG3 PRO 112 - HN LYS+ 72 12.500% * 0.0644% (0.65 1.0 0.02 0.02) = 0.064% HB3 PRO 59 - HN LYS+ 72 12.500% * 0.0644% (0.65 1.0 0.02 0.02) = 0.064% HB2 PRO 59 - HN LYS+ 72 12.500% * 0.0447% (0.45 1.0 0.02 0.02) = 0.045% HB3 ARG+ 84 - HN LYS+ 72 12.500% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% HG3 LYS+ 120 - HN LYS+ 72 12.500% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% Peak 445 (0.67, 7.96, 122.12 ppm): 4 chemical-shift based assignments, quality = 0.692, support = 2.29, residual support = 2.46: QG1 VAL 62 - HN LYS+ 72 25.000% * 43.9203% (0.96 2.47 1.73) = 43.920% kept HG12 ILE 19 - HN LYS+ 72 25.000% * 20.8893% (0.53 2.16 1.35) = 20.889% kept * QG2 VAL 94 - HN LYS+ 72 25.000% * 19.4084% (0.49 2.17 6.19) = 19.408% kept QD1 ILE 19 - HN LYS+ 72 25.000% * 15.7819% (0.41 2.09 1.35) = 15.782% kept Peak 446 (1.49, 7.96, 122.12 ppm): 6 chemical-shift based assignments, quality = 0.513, support = 3.35, residual support = 28.5: * O HB2 LYS+ 72 - HN LYS+ 72 16.667% * 68.7087% (0.45 10.0 3.48 34.75) = 68.709% kept QB ALA 70 - HN LYS+ 72 16.667% * 15.4513% (0.96 1.0 2.09 1.45) = 15.451% kept HG3 LYS+ 72 - HN LYS+ 72 16.667% * 12.6330% (0.34 1.0 4.83 34.75) = 12.633% kept HB3 LEU 67 - HN LYS+ 72 16.667% * 2.8758% (0.45 1.0 0.84 0.02) = 2.876% kept HG LEU 74 - HN LYS+ 72 16.667% * 0.2445% (0.23 1.0 0.14 0.11) = 0.244% HD3 LYS+ 108 - HN LYS+ 72 16.667% * 0.0868% (0.57 1.0 0.02 0.02) = 0.087% Peak 447 (8.79, 7.96, 122.12 ppm): 4 chemical-shift based assignments, quality = 0.829, support = 0.512, residual support = 0.749: T HN SER 69 - HN LYS+ 72 25.000% * 83.3832% (0.87 10.00 0.43 0.79) = 83.383% kept * HN THR 95 - HN LYS+ 72 25.000% * 15.5705% (0.69 1.00 1.01 0.57) = 15.571% kept HN LYS+ 32 - HN LYS+ 72 25.000% * 0.9071% (0.22 1.00 0.18 0.02) = 0.907% HN ASN 57 - HN LYS+ 72 25.000% * 0.1392% (0.31 1.00 0.02 0.02) = 0.139% Peak 448 (4.57, 7.96, 122.12 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.25, residual support = 34.7: * O HA LYS+ 72 - HN LYS+ 72 25.000% * 99.8865% (1.00 10.0 3.25 34.75) = 99.886% kept HA ASP- 25 - HN LYS+ 72 25.000% * 0.0486% (0.49 1.0 0.02 0.02) = 0.049% HA THR 79 - HN LYS+ 72 25.000% * 0.0341% (0.34 1.0 0.02 0.02) = 0.034% HA LEU 17 - HN LYS+ 72 25.000% * 0.0308% (0.31 1.0 0.02 0.02) = 0.031% Peak 449 (3.45, 7.96, 122.12 ppm): 8 chemical-shift based assignments, quality = 0.64, support = 3.09, residual support = 12.1: * O HA1 GLY 71 - HN LYS+ 72 12.500% * 94.1374% (0.65 10.0 3.24 12.77) = 94.137% kept HA VAL 62 - HN LYS+ 72 12.500% * 2.7530% (0.76 1.0 0.50 1.73) = 2.753% kept HB2 SER 69 - HN LYS+ 72 12.500% * 2.7518% (0.37 1.0 1.01 0.79) = 2.752% kept HA VAL 80 - HN LYS+ 72 12.500% * 0.1442% (0.99 1.0 0.02 0.02) = 0.144% HD3 PRO 31 - HN LYS+ 72 12.500% * 0.0883% (0.61 1.0 0.02 0.02) = 0.088% HB THR 79 - HN LYS+ 72 12.500% * 0.0598% (0.41 1.0 0.02 0.02) = 0.060% HA ILE 48 - HN LYS+ 72 12.500% * 0.0330% (0.23 1.0 0.02 0.02) = 0.033% HA THR 39 - HN LYS+ 72 12.500% * 0.0324% (0.22 1.0 0.02 0.02) = 0.032% Peak 450 (4.12, 7.96, 122.12 ppm): 9 chemical-shift based assignments, quality = 0.583, support = 3.18, residual support = 12.2: * O HA2 GLY 71 - HN LYS+ 72 11.111% * 94.6855% (0.61 10.0 3.22 12.77) = 94.685% kept HA ALA 70 - HN LYS+ 72 11.111% * 4.5448% (0.20 1.0 2.94 1.45) = 4.545% kept HA ARG+ 53 - HN LYS+ 72 11.111% * 0.1547% (0.99 1.0 0.02 0.02) = 0.155% HB THR 106 - HN LYS+ 72 11.111% * 0.1477% (0.94 1.0 0.02 0.02) = 0.148% HD2 PRO 59 - HN LYS+ 72 11.111% * 0.1250% (0.80 1.0 0.02 0.02) = 0.125% HA THR 46 - HN LYS+ 72 11.111% * 0.1193% (0.76 1.0 0.02 0.02) = 0.119% HA LYS+ 44 - HN LYS+ 72 11.111% * 0.0884% (0.57 1.0 0.02 0.02) = 0.088% HA VAL 105 - HN LYS+ 72 11.111% * 0.0760% (0.49 1.0 0.02 0.02) = 0.076% HB2 SER 88 - HN LYS+ 72 11.111% * 0.0586% (0.37 1.0 0.02 0.02) = 0.059% Peak 451 (4.38, 8.39, 122.01 ppm): 10 chemical-shift based assignments, quality = 0.107, support = 0.0935, residual support = 0.0198: HA TRP 51 - HN GLU- 109 10.000% * 30.7320% (0.14 0.12 0.02) = 30.732% kept HA THR 38 - HN GLU- 109 10.000% * 18.4854% (0.11 0.09 0.02) = 18.485% kept HA2 GLY 26 - HN GLU- 109 10.000% * 15.7159% (0.06 0.13 0.02) = 15.716% kept HA LYS+ 117 - HN GLU- 109 10.000% * 11.9331% (0.05 0.13 0.02) = 11.933% kept HA ASN 57 - HN GLU- 109 10.000% * 5.0200% (0.14 0.02 0.02) = 5.020% kept HA ALA 37 - HN GLU- 109 10.000% * 4.8987% (0.13 0.02 0.02) = 4.899% kept HA LYS+ 60 - HN GLU- 109 10.000% * 4.6032% (0.12 0.02 0.02) = 4.603% kept HA SER 88 - HN GLU- 109 10.000% * 4.2493% (0.12 0.02 0.02) = 4.249% kept HA THR 95 - HN GLU- 109 10.000% * 3.4330% (0.09 0.02 0.02) = 3.433% kept HA1 GLY 26 - HN GLU- 109 10.000% * 0.9294% (0.03 0.02 0.02) = 0.929% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 452 (1.81, 8.39, 122.01 ppm): 15 chemical-shift based assignments, quality = 0.14, support = 1.6, residual support = 11.2: * O HB2 GLU- 109 - HN GLU- 109 6.667% * 95.1984% (0.14 10.0 1.63 11.63) = 95.198% kept HB3 LYS+ 108 - HN GLU- 109 6.667% * 4.0943% (0.08 1.0 1.24 2.25) = 4.094% kept HD3 LYS+ 72 - HN GLU- 109 6.667% * 0.1144% (0.14 1.0 0.02 0.02) = 0.114% HD3 LYS+ 117 - HN GLU- 109 6.667% * 0.1013% (0.12 1.0 0.02 0.02) = 0.101% HB3 LYS+ 44 - HN GLU- 109 6.667% * 0.0848% (0.10 1.0 0.02 0.02) = 0.085% HB3 LYS+ 117 - HN GLU- 109 6.667% * 0.0708% (0.09 1.0 0.02 0.02) = 0.071% HB3 LYS+ 113 - HN GLU- 109 6.667% * 0.0614% (0.08 1.0 0.02 0.02) = 0.061% HB2 LYS+ 117 - HN GLU- 109 6.667% * 0.0614% (0.08 1.0 0.02 0.02) = 0.061% HB2 PRO 59 - HN GLU- 109 6.667% * 0.0480% (0.06 1.0 0.02 0.02) = 0.048% HB3 LYS+ 63 - HN GLU- 109 6.667% * 0.0398% (0.05 1.0 0.02 0.02) = 0.040% HB3 PRO 59 - HN GLU- 109 6.667% * 0.0291% (0.04 1.0 0.02 0.02) = 0.029% HG3 PRO 112 - HN GLU- 109 6.667% * 0.0291% (0.04 1.0 0.02 0.02) = 0.029% HG2 PRO 31 - HN GLU- 109 6.667% * 0.0260% (0.03 1.0 0.02 0.02) = 0.026% HB3 PRO 116 - HN GLU- 109 6.667% * 0.0231% (0.03 1.0 0.02 0.02) = 0.023% HB2 LYS+ 66 - HN GLU- 109 6.667% * 0.0180% (0.02 1.0 0.02 0.02) = 0.018% 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 = 0.997, support = 3.67, residual support = 19.7: * O HA LEU 67 - HN ILE 68 100.000% *100.0000% (1.00 10.0 3.67 19.74) = 100.000% kept Peak 455 (0.90, 8.87, 121.88 ppm): 13 chemical-shift based assignments, quality = 0.827, support = 4.2, residual support = 24.0: HG13 ILE 68 - HN ILE 68 7.692% * 50.7751% (0.90 5.52 32.74) = 50.775% kept * QD1 LEU 67 - HN ILE 68 7.692% * 29.4489% (0.94 3.04 19.74) = 29.449% kept HG LEU 74 - HN ILE 68 7.692% * 16.9231% (0.55 2.98 9.35) = 16.923% kept QG2 VAL 73 - HN ILE 68 7.692% * 0.9585% (0.34 0.27 6.96) = 0.959% QG1 VAL 47 - HN ILE 68 7.692% * 0.8005% (0.98 0.08 0.02) = 0.800% QG2 VAL 105 - HN ILE 68 7.692% * 0.2032% (0.99 0.02 0.02) = 0.203% QG2 VAL 87 - HN ILE 68 7.692% * 0.1892% (0.92 0.02 0.02) = 0.189% QG1 VAL 80 - HN ILE 68 7.692% * 0.1778% (0.87 0.02 0.02) = 0.178% QG1 VAL 122 - HN ILE 68 7.692% * 0.1489% (0.73 0.02 0.23) = 0.149% QG2 VAL 47 - HN ILE 68 7.692% * 0.1161% (0.57 0.02 0.02) = 0.116% QG2 VAL 125 - HN ILE 68 7.692% * 0.1079% (0.53 0.02 0.02) = 0.108% QG1 VAL 40 - HN ILE 68 7.692% * 0.0998% (0.49 0.02 0.02) = 0.100% QG2 VAL 122 - HN ILE 68 7.692% * 0.0511% (0.25 0.02 0.23) = 0.051% Peak 456 (0.70, 8.87, 121.88 ppm): 9 chemical-shift based assignments, quality = 0.828, support = 1.9, residual support = 10.9: * HG LEU 67 - HN ILE 68 11.111% * 43.9505% (1.00 2.51 19.74) = 43.951% kept QD1 ILE 19 - HN ILE 68 11.111% * 22.5304% (0.73 1.77 5.30) = 22.530% kept HG12 ILE 19 - HN ILE 68 11.111% * 18.7226% (0.61 1.76 5.30) = 18.723% kept QG2 ILE 101 - HN ILE 68 11.111% * 9.2420% (0.83 0.63 0.12) = 9.242% kept QG2 ILE 48 - HN ILE 68 11.111% * 3.4086% (0.73 0.27 0.02) = 3.409% kept QG2 VAL 94 - HN ILE 68 11.111% * 1.6383% (0.65 0.14 0.02) = 1.638% kept HG2 PRO 59 - HN ILE 68 11.111% * 0.3491% (1.00 0.02 0.02) = 0.349% QG2 VAL 40 - HN ILE 68 11.111% * 0.0973% (0.28 0.02 0.02) = 0.097% QG1 VAL 62 - HN ILE 68 11.111% * 0.0613% (0.17 0.02 0.02) = 0.061% Peak 457 (1.63, 8.87, 121.88 ppm): 11 chemical-shift based assignments, quality = 0.952, support = 2.7, residual support = 10.9: * HB2 LEU 67 - HN ILE 68 9.091% * 53.3441% (1.00 3.96 19.74) = 53.344% kept HB ILE 100 - HN ILE 68 9.091% * 23.5068% (1.00 1.75 1.51) = 23.507% kept HG12 ILE 101 - HN ILE 68 9.091% * 10.0899% (1.00 0.75 0.12) = 10.090% kept HG3 LYS+ 78 - HN ILE 68 9.091% * 8.6199% (0.87 0.74 0.16) = 8.620% kept HB3 MET 97 - HN ILE 68 9.091% * 3.6579% (0.25 1.09 0.02) = 3.658% kept HG LEU 23 - HN ILE 68 9.091% * 0.2668% (0.99 0.02 0.02) = 0.267% HG2 LYS+ 110 - HN ILE 68 9.091% * 0.1416% (0.53 0.02 0.02) = 0.142% HG3 LYS+ 110 - HN ILE 68 9.091% * 0.1310% (0.49 0.02 0.02) = 0.131% HB3 LEU 17 - HN ILE 68 9.091% * 0.0918% (0.34 0.02 0.02) = 0.092% HB3 ARG+ 22 - HN ILE 68 9.091% * 0.0831% (0.31 0.02 2.09) = 0.083% HD3 LYS+ 32 - HN ILE 68 9.091% * 0.0671% (0.25 0.02 0.02) = 0.067% Peak 458 (1.38, 8.87, 121.88 ppm): 11 chemical-shift based assignments, quality = 0.561, support = 1.9, residual support = 4.38: HG LEU 74 - HN ILE 68 9.091% * 37.3437% (0.47 2.98 9.35) = 37.344% kept HD3 LYS+ 20 - HN ILE 68 9.091% * 27.1477% (0.76 1.35 0.74) = 27.148% kept HG13 ILE 19 - HN ILE 68 9.091% * 11.4318% (0.17 2.48 5.30) = 11.432% kept HB3 LYS+ 20 - HN ILE 68 9.091% * 10.1496% (0.41 0.94 0.74) = 10.150% kept HG2 LYS+ 78 - HN ILE 68 9.091% * 6.9239% (0.80 0.33 0.16) = 6.924% kept QG2 THR 39 - HN ILE 68 9.091% * 6.3376% (0.94 0.25 0.02) = 6.338% kept QB ALA 91 - HN ILE 68 9.091% * 0.1799% (0.34 0.02 0.02) = 0.180% QB ALA 42 - HN ILE 68 9.091% * 0.1466% (0.28 0.02 0.02) = 0.147% QB ALA 37 - HN ILE 68 9.091% * 0.1174% (0.22 0.02 0.02) = 0.117% QG2 THR 38 - HN ILE 68 9.091% * 0.1174% (0.22 0.02 0.02) = 0.117% HG3 ARG+ 22 - HN ILE 68 9.091% * 0.1044% (0.20 0.02 2.09) = 0.104% Peak 459 (1.19, 8.87, 121.88 ppm): 6 chemical-shift based assignments, quality = 0.977, support = 3.84, residual support = 28.6: * O HB ILE 68 - HN ILE 68 16.667% * 83.4433% (1.00 10.0 4.12 32.74) = 83.443% kept HG LEU 74 - HN ILE 68 16.667% * 11.9365% (0.96 1.0 2.98 9.35) = 11.936% kept HB3 LYS+ 66 - HN ILE 68 16.667% * 3.0053% (0.65 1.0 1.11 0.02) = 3.005% kept HB2 LEU 74 - HN ILE 68 16.667% * 1.5578% (0.61 1.0 0.62 9.35) = 1.558% kept QG2 THR 106 - HN ILE 68 16.667% * 0.0406% (0.49 1.0 0.02 0.02) = 0.041% HG3 PRO 59 - HN ILE 68 16.667% * 0.0165% (0.20 1.0 0.02 0.02) = 0.017% Peak 460 (9.45, 8.87, 121.88 ppm): 1 chemical-shift based assignment, quality = 0.523, support = 0.43, residual support = 2.4: T HN HIS+ 98 - HN ILE 68 100.000% *100.0000% (0.52 10.00 0.43 2.40) = 100.000% kept Peak 462 (8.26, 8.28, 122.04 ppm): 1 diagonal assignment: * HN ASP- 115 - HN ASP- 115 (0.38) kept Peak 463 (8.25, 8.26, 122.13 ppm): 1 diagonal assignment: * HN ASP- 115 - HN ASP- 115 (0.85) kept Peak 464 (3.90, 8.26, 122.13 ppm): 10 chemical-shift based assignments, quality = 0.605, support = 1.2, residual support = 0.668: * HD2 PRO 116 - HN ASP- 115 10.000% * 48.3027% (0.52 1.96 1.36) = 48.303% kept HB2 SER 77 - HN ASP- 115 10.000% * 21.0495% (0.78 0.56 0.02) = 21.049% kept HA LYS+ 44 - HN ASP- 115 10.000% * 18.3912% (0.78 0.49 0.02) = 18.391% kept HB3 SER 77 - HN ASP- 115 10.000% * 8.4922% (0.38 0.47 0.02) = 8.492% kept HD2 PRO 86 - HN ASP- 115 10.000% * 2.4724% (0.59 0.09 0.15) = 2.472% kept HA VAL 125 - HN ASP- 115 10.000% * 0.4204% (0.44 0.02 0.02) = 0.420% HA ILE 48 - HN ASP- 115 10.000% * 0.2897% (0.30 0.02 0.02) = 0.290% HB THR 96 - HN ASP- 115 10.000% * 0.2088% (0.22 0.02 0.69) = 0.209% HB2 SER 85 - HN ASP- 115 10.000% * 0.2088% (0.22 0.02 0.02) = 0.209% HA LEU 74 - HN ASP- 115 10.000% * 0.1642% (0.17 0.02 0.02) = 0.164% Peak 465 (4.78, 8.26, 122.13 ppm): 5 chemical-shift based assignments, quality = 0.969, support = 2.01, residual support = 12.9: * O HA ASP- 115 - HN ASP- 115 20.000% * 91.2690% (0.98 10.0 2.05 14.04) = 91.269% kept HA PRO 116 - HN ASP- 115 20.000% * 7.8235% (0.95 1.0 1.78 1.36) = 7.823% kept HA LYS+ 113 - HN ASP- 115 20.000% * 0.8667% (0.78 1.0 0.24 0.02) = 0.867% HA VAL 40 - HN ASP- 115 20.000% * 0.0228% (0.24 1.0 0.02 0.02) = 0.023% HA MET 118 - HN ASP- 115 20.000% * 0.0181% (0.19 1.0 0.02 0.34) = 0.018% Peak 466 (2.72, 8.26, 122.13 ppm): 5 chemical-shift based assignments, quality = 0.592, support = 2.13, residual support = 14.0: * O HB3 ASP- 115 - HN ASP- 115 20.000% * 99.6433% (0.59 10.0 2.14 14.04) = 99.643% kept HA1 GLY 58 - HN ASP- 115 20.000% * 0.1595% (0.95 1.0 0.02 0.02) = 0.160% HE3 LYS+ 120 - HN ASP- 115 20.000% * 0.0930% (0.55 1.0 0.02 0.02) = 0.093% HB3 PHE 21 - HN ASP- 115 20.000% * 0.0675% (0.40 1.0 0.02 0.02) = 0.068% HE3 LYS+ 20 - HN ASP- 115 20.000% * 0.0366% (0.22 1.0 0.02 0.02) = 0.037% Peak 467 (4.78, 8.48, 121.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 468 (0.94, 8.48, 121.74 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 470 (4.79, 8.26, 121.80 ppm): 8 chemical-shift based assignments, quality = 0.149, support = 1.99, residual support = 12.3: * O HA ASP- 115 - HN ASP- 115 12.500% * 86.0874% (0.15 10.0 2.05 14.04) = 86.087% kept HA PRO 116 - HN ASP- 115 12.500% * 9.6345% (0.18 1.0 1.78 1.36) = 9.634% kept HA LYS+ 113 - HN VAL 94 12.500% * 2.5759% (0.05 1.0 1.88 1.47) = 2.576% kept HA LYS+ 113 - HN ASP- 115 12.500% * 1.5922% (0.23 1.0 0.24 0.02) = 1.592% kept HA GLU- 107 - HN ASP- 115 12.500% * 0.0584% (0.10 1.0 0.02 0.02) = 0.058% HA PRO 116 - HN VAL 94 12.500% * 0.0222% (0.04 1.0 0.02 0.16) = 0.022% HA ASP- 115 - HN VAL 94 12.500% * 0.0176% (0.03 1.0 0.02 0.10) = 0.018% HA GLU- 107 - HN VAL 94 12.500% * 0.0119% (0.02 1.0 0.02 0.02) = 0.012% Peak 471 (2.84, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 472 (4.36, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 473 (4.47, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 474 (2.34, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 475 (4.79, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 476 (2.06, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 477 (1.75, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 478 (8.16, 8.51, 121.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 479 (1.94, 8.34, 121.70 ppm): 30 chemical-shift based assignments, quality = 0.147, support = 2.19, residual support = 10.7: * O HB3 GLU- 109 - HN GLU- 109 3.333% * 90.5684% (0.16 10.0 2.38 11.63) = 90.568% kept HB2 LEU 23 - HN VAL 99 3.333% * 2.4049% (0.08 1.0 1.11 7.36) = 2.405% kept HG3 PRO 31 - HN VAL 99 3.333% * 1.4783% (0.10 1.0 0.53 0.66) = 1.478% kept HB3 PRO 35 - HN VAL 99 3.333% * 0.9715% (0.09 1.0 0.37 0.02) = 0.972% HB2 GLU- 75 - HN VAL 99 3.333% * 0.8071% (0.12 1.0 0.23 0.02) = 0.807% HB ILE 29 - HN VAL 99 3.333% * 0.6638% (0.11 1.0 0.21 0.02) = 0.664% HG2 PRO 112 - HN GLU- 109 3.333% * 0.3257% (0.57 1.0 0.02 0.02) = 0.326% HB2 PRO 116 - HN GLU- 109 3.333% * 0.3229% (0.57 1.0 0.02 0.02) = 0.323% HB2 GLU- 75 - HN GLU- 109 3.333% * 0.3007% (0.53 1.0 0.02 0.02) = 0.301% HB ILE 29 - HN GLU- 109 3.333% * 0.2721% (0.48 1.0 0.02 0.02) = 0.272% HB3 LYS+ 55 - HN GLU- 109 3.333% * 0.2489% (0.44 1.0 0.02 0.02) = 0.249% HG3 PRO 31 - HN GLU- 109 3.333% * 0.2365% (0.41 1.0 0.02 0.02) = 0.237% HB3 PRO 35 - HN GLU- 109 3.333% * 0.2238% (0.39 1.0 0.02 0.02) = 0.224% HB2 LEU 23 - HN GLU- 109 3.333% * 0.1844% (0.32 1.0 0.02 0.02) = 0.184% HB3 GLU- 56 - HN GLU- 109 3.333% * 0.1714% (0.30 1.0 0.02 0.02) = 0.171% HG3 PRO 116 - HN GLU- 109 3.333% * 0.1339% (0.23 1.0 0.02 0.02) = 0.134% HB VAL 122 - HN GLU- 109 3.333% * 0.1005% (0.18 1.0 0.02 0.02) = 0.101% HD3 LYS+ 63 - HN GLU- 109 3.333% * 0.1005% (0.18 1.0 0.02 0.02) = 0.101% HG2 PRO 112 - HN VAL 99 3.333% * 0.0767% (0.13 1.0 0.02 0.02) = 0.077% HB2 PRO 116 - HN VAL 99 3.333% * 0.0760% (0.13 1.0 0.02 0.02) = 0.076% HB3 LYS+ 55 - HN VAL 99 3.333% * 0.0586% (0.10 1.0 0.02 0.02) = 0.059% HB3 GLN 102 - HN GLU- 109 3.333% * 0.0570% (0.10 1.0 0.02 0.10) = 0.057% HB3 GLU- 54 - HN GLU- 109 3.333% * 0.0503% (0.09 1.0 0.02 0.02) = 0.050% HB3 GLU- 56 - HN VAL 99 3.333% * 0.0404% (0.07 1.0 0.02 0.02) = 0.040% HG3 PRO 116 - HN VAL 99 3.333% * 0.0315% (0.06 1.0 0.02 0.02) = 0.032% HB VAL 122 - HN VAL 99 3.333% * 0.0237% (0.04 1.0 0.02 0.02) = 0.024% HD3 LYS+ 63 - HN VAL 99 3.333% * 0.0237% (0.04 1.0 0.02 0.02) = 0.024% HB3 GLU- 109 - HN VAL 99 3.333% * 0.0213% (0.04 1.0 0.02 0.02) = 0.021% HB3 GLN 102 - HN VAL 99 3.333% * 0.0134% (0.02 1.0 0.02 0.02) = 0.013% HB3 GLU- 54 - HN VAL 99 3.333% * 0.0118% (0.02 1.0 0.02 0.02) = 0.012% Peak 480 (8.34, 8.34, 121.70 ppm): 1 diagonal assignment: * HN GLU- 109 - HN GLU- 109 (0.53) kept Peak 481 (4.21, 8.34, 121.70 ppm): 22 chemical-shift based assignments, quality = 0.545, support = 2.02, residual support = 11.4: * O HA GLU- 109 - HN GLU- 109 4.545% * 95.2957% (0.55 10.0 2.08 11.63) = 95.296% kept HA LYS+ 110 - HN GLU- 109 4.545% * 4.0818% (0.50 1.0 0.95 7.99) = 4.082% kept HB3 SER 49 - HN GLU- 109 4.545% * 0.0886% (0.51 1.0 0.02 0.02) = 0.089% HA ALA 42 - HN GLU- 109 4.545% * 0.0825% (0.48 1.0 0.02 0.02) = 0.082% HA ASP- 82 - HN GLU- 109 4.545% * 0.0755% (0.44 1.0 0.02 0.02) = 0.075% HA GLU- 64 - HN GLU- 109 4.545% * 0.0481% (0.28 1.0 0.02 0.02) = 0.048% HA GLU- 18 - HN GLU- 109 4.545% * 0.0481% (0.28 1.0 0.02 0.02) = 0.048% HA SER 49 - HN GLU- 109 4.545% * 0.0443% (0.26 1.0 0.02 0.02) = 0.044% HA GLU- 54 - HN GLU- 109 4.545% * 0.0371% (0.21 1.0 0.02 0.02) = 0.037% HA MET 126 - HN GLU- 109 4.545% * 0.0246% (0.14 1.0 0.02 0.02) = 0.025% HA GLU- 109 - HN VAL 99 4.545% * 0.0224% (0.13 1.0 0.02 0.02) = 0.022% HB3 SER 49 - HN VAL 99 4.545% * 0.0209% (0.12 1.0 0.02 0.02) = 0.021% HA LYS+ 44 - HN GLU- 109 4.545% * 0.0207% (0.12 1.0 0.02 0.02) = 0.021% HA LYS+ 110 - HN VAL 99 4.545% * 0.0202% (0.12 1.0 0.02 0.02) = 0.020% HA ALA 42 - HN VAL 99 4.545% * 0.0194% (0.11 1.0 0.02 0.02) = 0.019% HA ASP- 82 - HN VAL 99 4.545% * 0.0178% (0.10 1.0 0.02 0.02) = 0.018% HA GLU- 64 - HN VAL 99 4.545% * 0.0113% (0.07 1.0 0.02 0.02) = 0.011% HA GLU- 18 - HN VAL 99 4.545% * 0.0113% (0.07 1.0 0.02 0.02) = 0.011% HA SER 49 - HN VAL 99 4.545% * 0.0104% (0.06 1.0 0.02 0.02) = 0.010% HA GLU- 54 - HN VAL 99 4.545% * 0.0087% (0.05 1.0 0.02 0.02) = 0.009% HA MET 126 - HN VAL 99 4.545% * 0.0058% (0.03 1.0 0.02 0.02) = 0.006% HA LYS+ 44 - HN VAL 99 4.545% * 0.0049% (0.03 1.0 0.02 0.02) = 0.005% Peak 482 (2.22, 8.34, 121.70 ppm): 28 chemical-shift based assignments, quality = 0.44, support = 1.23, residual support = 7.64: * HG3 GLU- 109 - HN GLU- 109 3.571% * 65.1295% (0.53 1.65 11.63) = 65.129% kept HG3 MET 118 - HN GLU- 109 3.571% * 14.6911% (0.56 0.35 0.42) = 14.691% kept HG3 GLU- 18 - HN VAL 99 3.571% * 9.8039% (0.13 0.98 0.02) = 9.804% kept HG3 GLU- 75 - HN VAL 99 3.571% * 1.6651% (0.10 0.23 0.02) = 1.665% kept HG3 GLU- 18 - HN GLU- 109 3.571% * 0.8525% (0.57 0.02 0.02) = 0.852% HG3 GLU- 107 - HN GLU- 109 3.571% * 0.8468% (0.57 0.02 0.02) = 0.847% HB2 GLU- 50 - HN GLU- 109 3.571% * 0.8374% (0.56 0.02 0.02) = 0.837% HA1 GLY 58 - HN VAL 99 3.571% * 0.8093% (0.05 0.22 0.02) = 0.809% HB3 PRO 52 - HN GLU- 109 3.571% * 0.7887% (0.53 0.02 0.02) = 0.789% HG3 MET 126 - HN GLU- 109 3.571% * 0.7411% (0.50 0.02 0.02) = 0.741% HG3 GLU- 75 - HN GLU- 109 3.571% * 0.6204% (0.41 0.02 0.02) = 0.620% HG3 GLU- 54 - HN GLU- 109 3.571% * 0.4495% (0.30 0.02 0.02) = 0.449% HG2 GLU- 56 - HN GLU- 109 3.571% * 0.3512% (0.23 0.02 0.02) = 0.351% HB2 LYS+ 113 - HN GLU- 109 3.571% * 0.3206% (0.21 0.02 0.02) = 0.321% HA1 GLY 58 - HN GLU- 109 3.571% * 0.3109% (0.21 0.02 0.02) = 0.311% HG3 GLU- 107 - HN VAL 99 3.571% * 0.1994% (0.13 0.02 0.02) = 0.199% HB2 GLU- 50 - HN VAL 99 3.571% * 0.1972% (0.13 0.02 0.02) = 0.197% HG3 MET 118 - HN VAL 99 3.571% * 0.1972% (0.13 0.02 0.02) = 0.197% HG2 MET 126 - HN GLU- 109 3.571% * 0.1902% (0.13 0.02 0.02) = 0.190% HB3 PRO 52 - HN VAL 99 3.571% * 0.1858% (0.12 0.02 0.02) = 0.186% HG3 GLU- 109 - HN VAL 99 3.571% * 0.1858% (0.12 0.02 0.02) = 0.186% HG3 MET 126 - HN VAL 99 3.571% * 0.1746% (0.12 0.02 0.02) = 0.175% HB VAL 80 - HN GLU- 109 3.571% * 0.1156% (0.08 0.02 0.02) = 0.116% HG3 GLU- 54 - HN VAL 99 3.571% * 0.1059% (0.07 0.02 0.02) = 0.106% HG2 GLU- 56 - HN VAL 99 3.571% * 0.0827% (0.06 0.02 0.02) = 0.083% HB2 LYS+ 113 - HN VAL 99 3.571% * 0.0755% (0.05 0.02 0.02) = 0.076% HG2 MET 126 - HN VAL 99 3.571% * 0.0448% (0.03 0.02 0.02) = 0.045% HB VAL 80 - HN VAL 99 3.571% * 0.0272% (0.02 0.02 0.02) = 0.027% 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): 10 chemical-shift based assignments, quality = 0.847, support = 0.554, residual support = 0.495: HD3 LYS+ 32 - HN LEU 90 10.000% * 42.4076% (0.87 0.84 0.17) = 42.408% kept HG2 LYS+ 110 - HN LEU 90 10.000% * 23.7126% (1.00 0.41 0.02) = 23.713% kept HB3 LEU 17 - HN LEU 90 10.000% * 20.1611% (0.94 0.37 2.00) = 20.161% kept HB3 LYS+ 32 - HN LEU 90 10.000% * 7.4200% (0.37 0.34 0.17) = 7.420% kept HG12 ILE 101 - HN LEU 90 10.000% * 2.4174% (0.53 0.08 0.02) = 2.417% kept HG3 LYS+ 110 - HN LEU 90 10.000% * 1.1617% (1.00 0.02 0.02) = 1.162% kept HG3 LYS+ 78 - HN LEU 90 10.000% * 0.9725% (0.83 0.02 0.02) = 0.973% HB2 LEU 67 - HN LEU 90 10.000% * 0.6126% (0.53 0.02 0.02) = 0.613% HB ILE 100 - HN LEU 90 10.000% * 0.6126% (0.53 0.02 0.02) = 0.613% HG LEU 23 - HN LEU 90 10.000% * 0.5220% (0.45 0.02 0.02) = 0.522% Peak 492 (4.29, 7.88, 121.81 ppm): 12 chemical-shift based assignments, quality = 0.972, support = 2.8, residual support = 7.75: O HA LEU 90 - HN LEU 90 8.333% * 95.4949% (1.00 10.0 2.90 7.78) = 95.495% kept HA ALA 91 - HN LEU 90 8.333% * 3.1567% (0.57 1.0 1.17 10.26) = 3.157% kept HD3 PRO 59 - HN LEU 90 8.333% * 0.9295% (0.53 1.0 0.37 0.02) = 0.929% HA THR 106 - HN LEU 90 8.333% * 0.0922% (0.96 1.0 0.02 0.02) = 0.092% HA PRO 104 - HN LEU 90 8.333% * 0.0693% (0.73 1.0 0.02 0.02) = 0.069% HA PRO 52 - HN LEU 90 8.333% * 0.0502% (0.53 1.0 0.02 0.02) = 0.050% HA SER 85 - HN LEU 90 8.333% * 0.0502% (0.53 1.0 0.02 0.02) = 0.050% HA VAL 65 - HN LEU 90 8.333% * 0.0428% (0.45 1.0 0.02 0.02) = 0.043% HA ILE 29 - HN LEU 90 8.333% * 0.0393% (0.41 1.0 0.02 0.02) = 0.039% HA ARG+ 84 - HN LEU 90 8.333% * 0.0393% (0.41 1.0 0.02 0.46) = 0.039% HA PRO 112 - HN LEU 90 8.333% * 0.0189% (0.20 1.0 0.02 0.02) = 0.019% HA GLU- 75 - HN LEU 90 8.333% * 0.0167% (0.17 1.0 0.02 0.32) = 0.017% Reference assignment not found: HA ASN 89 - HN LEU 90 Peak 493 (4.68, 7.88, 121.81 ppm): 7 chemical-shift based assignments, quality = 0.941, support = 1.81, residual support = 4.68: * O HA ASN 89 - HN LEU 90 14.286% * 99.5572% (0.94 10.0 1.81 4.70) = 99.557% kept HA TYR 83 - HN LEU 90 14.286% * 0.1098% (0.94 1.0 0.02 0.02) = 0.110% HA ASN 119 - HN LEU 90 14.286% * 0.1072% (0.92 1.0 0.02 0.02) = 0.107% HA THR 61 - HN LEU 90 14.286% * 0.0970% (0.83 1.0 0.02 0.02) = 0.097% HA ASP- 36 - HN LEU 90 14.286% * 0.0565% (0.49 1.0 0.02 0.02) = 0.057% HA LYS+ 120 - HN LEU 90 14.286% * 0.0520% (0.45 1.0 0.02 0.02) = 0.052% HA LYS+ 20 - HN LEU 90 14.286% * 0.0203% (0.17 1.0 0.02 0.02) = 0.020% Peak 494 (8.29, 7.88, 121.81 ppm): 4 chemical-shift based assignments, quality = 0.762, support = 2.61, residual support = 6.97: HN ALA 91 - HN LEU 90 25.000% * 48.1411% (0.76 2.98 10.26) = 48.141% kept * HN ASN 89 - HN LEU 90 25.000% * 43.0636% (0.76 2.66 4.70) = 43.064% kept HN ASP- 28 - HN LEU 90 25.000% * 5.9184% (1.00 0.28 0.02) = 5.918% kept HN VAL 99 - HN LEU 90 25.000% * 2.8769% (0.25 0.55 0.10) = 2.877% kept Peak 495 (0.87, 7.88, 121.81 ppm): 12 chemical-shift based assignments, quality = 0.678, support = 1.08, residual support = 4.19: * QD1 LEU 90 - HN LEU 90 8.333% * 47.9941% (0.92 1.24 7.78) = 47.994% kept HG3 LYS+ 117 - HN LEU 90 8.333% * 23.2624% (0.41 1.35 1.26) = 23.262% kept HG2 LYS+ 117 - HN LEU 90 8.333% * 12.9907% (0.28 1.11 1.26) = 12.991% kept QG2 ILE 100 - HN LEU 90 8.333% * 9.9114% (0.94 0.25 0.02) = 9.911% kept HB ILE 101 - HN LEU 90 8.333% * 1.8758% (0.57 0.08 0.02) = 1.876% kept QG2 VAL 122 - HN LEU 90 8.333% * 0.8230% (0.98 0.02 0.02) = 0.823% QG1 VAL 40 - HN LEU 90 8.333% * 0.6723% (0.80 0.02 0.02) = 0.672% QG2 VAL 125 - HN LEU 90 8.333% * 0.6416% (0.76 0.02 0.02) = 0.642% QG2 VAL 47 - HN LEU 90 8.333% * 0.6097% (0.73 0.02 0.02) = 0.610% QG1 VAL 122 - HN LEU 90 8.333% * 0.4753% (0.57 0.02 0.02) = 0.475% HG LEU 74 - HN LEU 90 8.333% * 0.3985% (0.47 0.02 0.02) = 0.398% QG1 VAL 80 - HN LEU 90 8.333% * 0.3452% (0.41 0.02 0.02) = 0.345% Peak 496 (2.80, 7.88, 121.81 ppm): 8 chemical-shift based assignments, quality = 0.923, support = 2.08, residual support = 3.76: * HB3 ASN 89 - HN LEU 90 12.500% * 79.4309% (0.96 2.53 4.70) = 79.431% kept HE3 LYS+ 32 - HN LEU 90 12.500% * 13.3249% (0.90 0.46 0.17) = 13.325% kept HE3 LYS+ 111 - HN LEU 90 12.500% * 3.0451% (0.73 0.13 0.02) = 3.045% kept HB3 ASN 57 - HN LEU 90 12.500% * 2.4641% (0.65 0.12 0.02) = 2.464% kept HA2 GLY 58 - HN LEU 90 12.500% * 0.6284% (0.96 0.02 0.14) = 0.628% HA1 GLY 58 - HN LEU 90 12.500% * 0.5714% (0.88 0.02 0.14) = 0.571% HB2 ASN 119 - HN LEU 90 12.500% * 0.4212% (0.65 0.02 0.02) = 0.421% HB3 ASN 119 - HN LEU 90 12.500% * 0.1140% (0.17 0.02 0.02) = 0.114% Peak 497 (4.81, 7.88, 121.81 ppm): 5 chemical-shift based assignments, quality = 0.348, support = 0.73, residual support = 0.631: HA PRO 116 - HN LEU 90 20.000% * 36.1290% (0.25 1.08 1.26) = 36.129% kept HA ASP- 115 - HN LEU 90 20.000% * 21.3926% (0.15 1.03 0.48) = 21.393% kept HA LYS+ 113 - HN LEU 90 20.000% * 20.6095% (0.45 0.34 0.33) = 20.610% kept HA MET 97 - HN LEU 90 20.000% * 19.3850% (0.57 0.25 0.02) = 19.385% kept HA GLU- 107 - HN LEU 90 20.000% * 2.4838% (0.92 0.02 0.02) = 2.484% kept Reference assignment not found: HA ASN 89 - HN LEU 90 Peak 500 (2.11, 9.30, 121.49 ppm): 13 chemical-shift based assignments, quality = 0.501, support = 2.89, residual support = 14.0: * HB2 ASP- 28 - HN ILE 29 7.692% * 58.4029% (0.34 4.42 23.43) = 58.403% kept HG3 GLU- 56 - HN ILE 29 7.692% * 26.0827% (0.98 0.69 0.25) = 26.083% kept HA1 GLY 58 - HN ILE 29 7.692% * 9.8115% (0.20 1.25 2.94) = 9.811% kept HB3 GLU- 75 - HN ILE 29 7.692% * 2.8687% (0.95 0.08 0.02) = 2.869% kept HB3 LEU 43 - HN ILE 29 7.692% * 0.7471% (0.96 0.02 0.02) = 0.747% HB VAL 65 - HN ILE 29 7.692% * 0.4695% (0.61 0.02 0.02) = 0.470% HB VAL 87 - HN ILE 29 7.692% * 0.4383% (0.57 0.02 0.02) = 0.438% HB VAL 47 - HN ILE 29 7.692% * 0.2641% (0.34 0.02 0.02) = 0.264% HB VAL 125 - HN ILE 29 7.692% * 0.2389% (0.31 0.02 0.02) = 0.239% HB2 LEU 43 - HN ILE 29 7.692% * 0.2152% (0.28 0.02 0.02) = 0.215% HB2 LYS+ 110 - HN ILE 29 7.692% * 0.1723% (0.22 0.02 0.02) = 0.172% HG3 GLN 102 - HN ILE 29 7.692% * 0.1532% (0.20 0.02 0.02) = 0.153% HD3 LYS+ 110 - HN ILE 29 7.692% * 0.1356% (0.17 0.02 0.02) = 0.136% Peak 502 (1.55, 9.30, 121.49 ppm): 9 chemical-shift based assignments, quality = 0.912, support = 4.31, residual support = 43.6: * HG13 ILE 29 - HN ILE 29 11.111% * 68.2496% (1.00 5.70 60.56) = 68.250% kept HB3 LEU 23 - HN ILE 29 11.111% * 15.0524% (0.73 1.73 11.48) = 15.052% kept HG LEU 17 - HN ILE 29 11.111% * 9.0667% (0.57 1.34 6.02) = 9.067% kept QG2 THR 24 - HN ILE 29 11.111% * 6.1041% (0.98 0.52 0.02) = 6.104% kept HB3 LEU 90 - HN ILE 29 11.111% * 1.0400% (0.98 0.09 0.02) = 1.040% kept HD3 LYS+ 60 - HN ILE 29 11.111% * 0.1549% (0.65 0.02 0.02) = 0.155% HB ILE 19 - HN ILE 29 11.111% * 0.1260% (0.53 0.02 0.02) = 0.126% HG3 LYS+ 60 - HN ILE 29 11.111% * 0.1165% (0.49 0.02 0.02) = 0.117% QG2 VAL 80 - HN ILE 29 11.111% * 0.0899% (0.37 0.02 0.02) = 0.090% Peak 503 (0.95, 9.30, 121.49 ppm): 10 chemical-shift based assignments, quality = 0.946, support = 5.33, residual support = 52.8: * HG12 ILE 29 - HN ILE 29 10.000% * 45.4569% (0.98 6.34 60.56) = 45.457% kept QG2 ILE 29 - HN ILE 29 10.000% * 40.9040% (1.00 5.59 60.56) = 40.904% kept QD1 LEU 17 - HN ILE 29 10.000% * 7.7151% (0.73 1.45 6.02) = 7.715% kept HG LEU 74 - HN ILE 29 10.000% * 5.2223% (0.69 1.03 0.32) = 5.222% kept HG12 ILE 68 - HN ILE 29 10.000% * 0.1464% (1.00 0.02 0.02) = 0.146% QG2 VAL 62 - HN ILE 29 10.000% * 0.1451% (0.99 0.02 0.02) = 0.145% HG3 LYS+ 63 - HN ILE 29 10.000% * 0.1435% (0.98 0.02 0.02) = 0.143% QG2 VAL 99 - HN ILE 29 10.000% * 0.1223% (0.83 0.02 0.02) = 0.122% QG1 VAL 105 - HN ILE 29 10.000% * 0.1119% (0.76 0.02 0.02) = 0.112% QG2 VAL 73 - HN ILE 29 10.000% * 0.0326% (0.22 0.02 0.02) = 0.033% Peak 504 (8.93, 9.30, 121.49 ppm): 4 chemical-shift based assignments, quality = 0.688, support = 2.55, residual support = 16.6: * T HN PHE 21 - HN ILE 29 25.000% * 85.7926% (0.73 10.00 2.39 18.47) = 85.793% kept HN ARG+ 22 - HN ILE 29 25.000% * 12.4903% (0.53 1.00 4.02 6.12) = 12.490% kept HN THR 96 - HN ILE 29 25.000% * 0.9992% (0.61 1.00 0.28 0.02) = 0.999% HN GLN 102 - HN ILE 29 25.000% * 0.7179% (0.37 1.00 0.32 0.02) = 0.718% Peak 505 (2.97, 9.30, 121.49 ppm): 6 chemical-shift based assignments, quality = 0.718, support = 1.66, residual support = 10.8: * HB2 PHE 21 - HN ILE 29 16.667% * 54.8564% (0.87 2.22 18.47) = 54.856% kept HA1 GLY 58 - HN ILE 29 16.667% * 19.6742% (0.55 1.25 2.94) = 19.674% kept HE2 LYS+ 117 - HN ILE 29 16.667% * 12.4785% (0.53 0.83 0.23) = 12.479% kept HE3 LYS+ 113 - HN ILE 29 16.667% * 12.0411% (0.57 0.75 0.34) = 12.041% kept HE3 LYS+ 55 - HN ILE 29 16.667% * 0.7158% (0.28 0.09 0.02) = 0.716% HB3 ASN 76 - HN ILE 29 16.667% * 0.2340% (0.41 0.02 0.02) = 0.234% Peak 506 (1.37, 8.21, 121.57 ppm): 8 chemical-shift based assignments, quality = 0.617, support = 0.764, residual support = 1.58: * QB ALA 91 - HN VAL 94 12.500% * 29.4617% (0.66 1.08 2.34) = 29.462% kept HB3 LYS+ 20 - HN VAL 94 12.500% * 22.5651% (0.72 0.76 2.57) = 22.565% kept HG13 ILE 19 - HN VAL 94 12.500% * 15.6020% (0.46 0.83 0.19) = 15.602% kept HG2 LYS+ 78 - HN VAL 94 12.500% * 13.7236% (0.87 0.39 0.02) = 13.724% kept HD3 LYS+ 20 - HN VAL 94 12.500% * 8.9975% (0.30 0.74 2.57) = 8.998% kept HG LEU 74 - HN VAL 94 12.500% * 5.6005% (0.44 0.31 0.72) = 5.601% kept HG3 ARG+ 22 - HN VAL 94 12.500% * 3.3927% (0.49 0.17 0.14) = 3.393% kept QG2 THR 39 - HN VAL 94 12.500% * 0.6569% (0.80 0.02 0.02) = 0.657% Peak 507 (4.27, 8.21, 121.57 ppm): 13 chemical-shift based assignments, quality = 0.785, support = 1.5, residual support = 1.53: HA ALA 91 - HN VAL 94 7.692% * 37.0998% (0.86 2.39 2.34) = 37.100% kept HD3 PRO 59 - HN VAL 94 7.692% * 27.2058% (0.87 1.72 1.98) = 27.206% kept HA SER 85 - HN VAL 94 7.692% * 5.3526% (0.87 0.34 0.90) = 5.353% kept HA LEU 90 - HN VAL 94 7.692% * 5.1191% (0.37 0.77 0.02) = 5.119% kept HA ARG+ 84 - HN VAL 94 7.692% * 4.6342% (0.89 0.29 0.02) = 4.634% kept HA VAL 65 - HN VAL 94 7.692% * 3.9808% (0.89 0.25 0.02) = 3.981% kept HA PRO 59 - HN VAL 94 7.692% * 3.7394% (0.22 0.93 1.98) = 3.739% kept HA GLU- 75 - HN VAL 94 7.692% * 3.1656% (0.77 0.23 0.02) = 3.166% kept HA PRO 52 - HN VAL 94 7.692% * 3.0263% (0.87 0.19 0.02) = 3.026% kept HA THR 106 - HN VAL 94 7.692% * 2.9231% (0.50 0.32 0.02) = 2.923% kept HA2 GLY 114 - HN VAL 94 7.692% * 2.7859% (0.47 0.33 0.02) = 2.786% kept HA LYS+ 108 - HN VAL 94 7.692% * 0.7591% (0.25 0.17 0.25) = 0.759% HA GLU- 56 - HN VAL 94 7.692% * 0.2084% (0.58 0.02 0.02) = 0.208% Reference assignment not found: HA VAL 73 - HN VAL 94 Peak 508 (0.80, 8.21, 121.57 ppm): 9 chemical-shift based assignments, quality = 0.546, support = 1.61, residual support = 3.33: QB ALA 93 - HN VAL 94 11.111% * 31.2644% (0.87 1.25 0.96) = 31.264% kept * QG1 VAL 94 - HN VAL 94 11.111% * 29.1764% (0.33 3.12 9.60) = 29.176% kept QD2 LEU 17 - HN VAL 94 11.111% * 16.6241% (0.53 1.10 0.02) = 16.624% kept HG3 LYS+ 113 - HN VAL 94 11.111% * 8.6357% (0.42 0.71 1.47) = 8.636% kept HG2 LYS+ 113 - HN VAL 94 11.111% * 5.5912% (0.27 0.73 1.47) = 5.591% kept QD2 LEU 90 - HN VAL 94 11.111% * 5.4430% (0.63 0.30 0.02) = 5.443% kept HG LEU 74 - HN VAL 94 11.111% * 2.3769% (0.27 0.31 0.72) = 2.377% kept QD2 LEU 67 - HN VAL 94 11.111% * 0.4718% (0.82 0.02 0.02) = 0.472% QD1 ILE 100 - HN VAL 94 11.111% * 0.4166% (0.72 0.02 0.02) = 0.417% 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): 13 chemical-shift based assignments, quality = 0.701, support = 0.502, residual support = 1.15: HB3 LYS+ 113 - HN VAL 94 7.692% * 24.5254% (0.86 0.64 1.47) = 24.525% kept HB3 LYS+ 117 - HN VAL 94 7.692% * 19.6103% (0.87 0.51 0.02) = 19.610% kept HB2 LYS+ 117 - HN VAL 94 7.692% * 19.4582% (0.86 0.51 0.02) = 19.458% kept HD3 LYS+ 72 - HN VAL 94 7.692% * 12.3371% (0.42 0.66 6.19) = 12.337% kept HB3 PRO 116 - HN VAL 94 7.692% * 6.7375% (0.63 0.24 0.16) = 6.737% kept HD3 LYS+ 117 - HN VAL 94 7.692% * 5.9999% (0.27 0.50 0.02) = 6.000% kept HG2 PRO 31 - HN VAL 94 7.692% * 4.8825% (0.66 0.17 0.02) = 4.882% kept HB3 GLU- 18 - HN VAL 94 7.692% * 3.5245% (0.27 0.30 0.02) = 3.524% kept HB3 LYS+ 108 - HN VAL 94 7.692% * 0.7700% (0.87 0.02 0.25) = 0.770% HB3 LYS+ 44 - HN VAL 94 7.692% * 0.7564% (0.85 0.02 0.49) = 0.756% HB3 LYS+ 63 - HN VAL 94 7.692% * 0.6921% (0.78 0.02 0.02) = 0.692% HB2 GLU- 109 - HN VAL 94 7.692% * 0.4681% (0.53 0.02 0.02) = 0.468% HB3 ARG+ 53 - HN VAL 94 7.692% * 0.2382% (0.27 0.02 0.02) = 0.238% Reference assignment not found: HB VAL 73 - HN VAL 94 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): 16 chemical-shift based assignments, quality = 0.696, support = 0.748, residual support = 1.51: * QB ALA 91 - HN VAL 94 6.250% * 28.4659% (0.79 1.08 2.34) = 28.466% kept HB3 LYS+ 20 - HN VAL 94 6.250% * 21.6095% (0.86 0.76 2.57) = 21.609% kept HG13 ILE 19 - HN VAL 94 6.250% * 15.4820% (0.56 0.83 0.19) = 15.482% kept HG2 LYS+ 78 - HN VAL 94 6.250% * 12.5711% (0.98 0.39 0.02) = 12.571% kept HD3 LYS+ 20 - HN VAL 94 6.250% * 7.5075% (0.31 0.74 2.57) = 7.507% kept HG LEU 74 - HN VAL 94 6.250% * 5.1932% (0.50 0.31 0.72) = 5.193% kept HG3 ARG+ 22 - HN VAL 94 6.250% * 3.3517% (0.60 0.17 0.14) = 3.352% kept HG LEU 74 - HN VAL 105 6.250% * 2.5739% (0.13 0.62 0.63) = 2.574% kept HB3 LYS+ 20 - HN VAL 105 6.250% * 1.7128% (0.21 0.24 0.02) = 1.713% kept QG2 THR 39 - HN VAL 94 6.250% * 0.5885% (0.89 0.02 0.02) = 0.588% HG13 ILE 19 - HN VAL 105 6.250% * 0.3535% (0.14 0.08 0.02) = 0.354% HG2 LYS+ 78 - HN VAL 105 6.250% * 0.1624% (0.24 0.02 0.02) = 0.162% QG2 THR 39 - HN VAL 105 6.250% * 0.1469% (0.22 0.02 0.02) = 0.147% QB ALA 91 - HN VAL 105 6.250% * 0.1312% (0.20 0.02 0.02) = 0.131% HG3 ARG+ 22 - HN VAL 105 6.250% * 0.0994% (0.15 0.02 0.02) = 0.099% HD3 LYS+ 20 - HN VAL 105 6.250% * 0.0506% (0.08 0.02 0.02) = 0.051% Peak 518 (1.86, 8.22, 121.46 ppm): 16 chemical-shift based assignments, quality = 0.429, support = 2.19, residual support = 4.74: O HB2 PRO 104 - HN VAL 105 6.250% * 52.9780% (0.21 10.0 2.64 5.62) = 52.978% kept * HB3 LYS+ 72 - HN VAL 94 6.250% * 23.4946% (0.83 1.0 2.30 6.19) = 23.495% kept HB2 PRO 104 - HN VAL 94 6.250% * 9.6877% (0.86 1.0 0.91 1.36) = 9.688% kept HB3 PRO 59 - HN VAL 94 6.250% * 5.7857% (0.31 1.0 1.53 1.98) = 5.786% kept HB2 PRO 59 - HN VAL 94 6.250% * 3.1013% (0.17 1.0 1.45 1.98) = 3.101% kept HG3 PRO 112 - HN VAL 94 6.250% * 3.0068% (0.31 1.0 0.80 0.02) = 3.007% kept HB2 LYS+ 66 - HN VAL 94 6.250% * 1.5332% (0.44 1.0 0.28 0.02) = 1.533% kept HB3 ARG+ 84 - HN VAL 94 6.250% * 0.1191% (0.48 1.0 0.02 0.02) = 0.119% HG3 LYS+ 120 - HN VAL 94 6.250% * 0.1097% (0.44 1.0 0.02 0.02) = 0.110% HB3 LYS+ 72 - HN VAL 105 6.250% * 0.0510% (0.21 1.0 0.02 0.02) = 0.051% HB3 ARG+ 84 - HN VAL 105 6.250% * 0.0297% (0.12 1.0 0.02 0.02) = 0.030% HG3 LYS+ 120 - HN VAL 105 6.250% * 0.0274% (0.11 1.0 0.02 0.02) = 0.027% HB2 LYS+ 66 - HN VAL 105 6.250% * 0.0274% (0.11 1.0 0.02 0.02) = 0.027% HG3 PRO 112 - HN VAL 105 6.250% * 0.0189% (0.08 1.0 0.02 0.02) = 0.019% HB3 PRO 59 - HN VAL 105 6.250% * 0.0189% (0.08 1.0 0.02 0.02) = 0.019% HB2 PRO 59 - HN VAL 105 6.250% * 0.0107% (0.04 1.0 0.02 0.02) = 0.011% Peak 519 (0.83, 8.22, 121.46 ppm): 24 chemical-shift based assignments, quality = 0.712, support = 1.74, residual support = 4.22: * QG1 VAL 94 - HN VAL 94 4.167% * 40.2199% (0.86 3.12 9.60) = 40.220% kept QD2 LEU 17 - HN VAL 94 4.167% * 10.5753% (0.64 1.10 0.02) = 10.575% kept HG2 LYS+ 113 - HN VAL 94 4.167% * 9.9739% (0.91 0.73 1.47) = 9.974% kept HG3 LYS+ 113 - HN VAL 94 4.167% * 8.0868% (0.76 0.71 1.47) = 8.087% kept HG2 LYS+ 117 - HN VAL 94 4.167% * 7.3169% (0.64 0.76 0.02) = 7.317% kept HG3 LYS+ 117 - HN VAL 94 4.167% * 5.5054% (0.48 0.76 0.02) = 5.505% kept QG1 VAL 94 - HN VAL 105 4.167% * 4.8557% (0.21 1.51 0.94) = 4.856% kept QD1 ILE 29 - HN VAL 94 4.167% * 3.9735% (0.98 0.27 0.02) = 3.973% kept QB ALA 93 - HN VAL 94 4.167% * 2.8772% (0.15 1.25 0.96) = 2.877% kept QD2 LEU 90 - HN VAL 94 4.167% * 2.3521% (0.52 0.30 0.02) = 2.352% kept HG LEU 74 - HN VAL 94 4.167% * 1.7360% (0.37 0.31 0.72) = 1.736% kept QD2 LEU 17 - HN VAL 105 4.167% * 1.1031% (0.16 0.46 0.02) = 1.103% kept HG LEU 74 - HN VAL 105 4.167% * 0.8604% (0.09 0.62 0.63) = 0.860% HB ILE 101 - HN VAL 94 4.167% * 0.1015% (0.34 0.02 0.02) = 0.101% QD2 LEU 67 - HN VAL 94 4.167% * 0.0827% (0.27 0.02 0.02) = 0.083% QD1 ILE 29 - HN VAL 105 4.167% * 0.0736% (0.24 0.02 0.02) = 0.074% HG2 LYS+ 113 - HN VAL 105 4.167% * 0.0686% (0.23 0.02 0.02) = 0.069% HG3 LYS+ 113 - HN VAL 105 4.167% * 0.0568% (0.19 0.02 0.02) = 0.057% HG2 LYS+ 117 - HN VAL 105 4.167% * 0.0480% (0.16 0.02 0.02) = 0.048% QD2 LEU 90 - HN VAL 105 4.167% * 0.0391% (0.13 0.02 0.02) = 0.039% HG3 LYS+ 117 - HN VAL 105 4.167% * 0.0361% (0.12 0.02 0.02) = 0.036% HB ILE 101 - HN VAL 105 4.167% * 0.0253% (0.08 0.02 0.02) = 0.025% QD2 LEU 67 - HN VAL 105 4.167% * 0.0206% (0.07 0.02 0.02) = 0.021% QB ALA 93 - HN VAL 105 4.167% * 0.0115% (0.04 0.02 0.02) = 0.011% 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): 14 chemical-shift based assignments, quality = 0.972, support = 2.23, residual support = 9.43: * O HA VAL 94 - HN VAL 94 7.143% * 98.0930% (0.99 10.0 2.26 9.60) = 98.093% kept HA VAL 94 - HN VAL 105 7.143% * 1.0079% (0.25 1.0 0.82 0.94) = 1.008% kept HA PRO 112 - HN VAL 94 7.143% * 0.6051% (0.37 1.0 0.33 0.02) = 0.605% HB THR 61 - HN VAL 94 7.143% * 0.0972% (0.98 1.0 0.02 0.02) = 0.097% HA1 GLY 26 - HN VAL 94 7.143% * 0.0555% (0.56 1.0 0.02 0.02) = 0.056% HA LYS+ 117 - HN VAL 94 7.143% * 0.0335% (0.34 1.0 0.02 0.02) = 0.033% HA2 GLY 26 - HN VAL 94 7.143% * 0.0245% (0.25 1.0 0.02 0.02) = 0.024% HB THR 61 - HN VAL 105 7.143% * 0.0243% (0.24 1.0 0.02 0.02) = 0.024% HA ILE 29 - HN VAL 94 7.143% * 0.0172% (0.17 1.0 0.02 0.02) = 0.017% HA1 GLY 26 - HN VAL 105 7.143% * 0.0139% (0.14 1.0 0.02 0.02) = 0.014% HA PRO 112 - HN VAL 105 7.143% * 0.0092% (0.09 1.0 0.02 0.02) = 0.009% HA LYS+ 117 - HN VAL 105 7.143% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% HA2 GLY 26 - HN VAL 105 7.143% * 0.0061% (0.06 1.0 0.02 0.02) = 0.006% HA ILE 29 - HN VAL 105 7.143% * 0.0043% (0.04 1.0 0.02 0.02) = 0.004% Peak 522 (4.55, 8.22, 121.46 ppm): 10 chemical-shift based assignments, quality = 0.606, support = 0.445, residual support = 2.06: HA LYS+ 72 - HN VAL 94 10.000% * 32.9131% (0.60 0.54 6.19) = 32.913% kept HA THR 79 - HN VAL 94 10.000% * 21.8396% (0.89 0.24 0.02) = 21.840% kept HA LEU 17 - HN VAL 94 10.000% * 21.0794% (0.86 0.24 0.02) = 21.079% kept HA LYS+ 78 - HN VAL 94 10.000% * 11.4172% (0.20 0.57 0.02) = 11.417% kept HA ALA 103 - HN VAL 105 10.000% * 10.5534% (0.11 0.94 0.13) = 10.553% kept HA ALA 103 - HN VAL 94 10.000% * 0.9041% (0.44 0.02 0.02) = 0.904% HA THR 79 - HN VAL 105 10.000% * 0.4515% (0.22 0.02 0.02) = 0.452% HA LEU 17 - HN VAL 105 10.000% * 0.4367% (0.21 0.02 0.02) = 0.437% HA LYS+ 72 - HN VAL 105 10.000% * 0.3054% (0.15 0.02 0.02) = 0.305% HA LYS+ 78 - HN VAL 105 10.000% * 0.0996% (0.05 0.02 0.02) = 0.100% Reference assignment not found: HA VAL 73 - HN VAL 94 Peak 523 (2.88, 8.22, 121.46 ppm): 4 chemical-shift based assignments, quality = 0.519, support = 0.474, residual support = 0.212: HA1 GLY 58 - HN VAL 94 25.000% * 60.2513% (0.72 0.33 0.21) = 60.251% kept HA1 GLY 58 - HN VAL 105 25.000% * 35.4212% (0.18 0.78 0.23) = 35.421% kept HB2 HIS+ 98 - HN VAL 94 25.000% * 3.4629% (0.68 0.02 0.11) = 3.463% kept HB2 HIS+ 98 - HN VAL 105 25.000% * 0.8645% (0.17 0.02 0.02) = 0.865% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 524 (1.76, 8.22, 121.46 ppm): 14 chemical-shift based assignments, quality = 0.968, support = 2.22, residual support = 9.38: * O HB VAL 94 - HN VAL 94 7.143% * 97.6634% (0.99 10.0 2.26 9.60) = 97.663% kept HB VAL 94 - HN VAL 105 7.143% * 1.0035% (0.25 1.0 0.82 0.94) = 1.003% kept HB3 GLU- 18 - HN VAL 94 7.143% * 0.7603% (0.52 1.0 0.30 0.02) = 0.760% HB3 PRO 116 - HN VAL 94 7.143% * 0.2056% (0.17 1.0 0.24 0.16) = 0.206% HG2 PRO 31 - HN VAL 94 7.143% * 0.1248% (0.15 1.0 0.17 0.02) = 0.125% HB2 ARG+ 84 - HN VAL 94 7.143% * 0.0957% (0.97 1.0 0.02 0.02) = 0.096% HB3 ARG+ 53 - HN VAL 94 7.143% * 0.0514% (0.52 1.0 0.02 0.02) = 0.051% HB3 GLU- 50 - HN VAL 94 7.143% * 0.0301% (0.31 1.0 0.02 0.02) = 0.030% HB2 ARG+ 84 - HN VAL 105 7.143% * 0.0239% (0.24 1.0 0.02 0.02) = 0.024% HB3 GLU- 18 - HN VAL 105 7.143% * 0.0128% (0.13 1.0 0.02 0.02) = 0.013% HB3 ARG+ 53 - HN VAL 105 7.143% * 0.0128% (0.13 1.0 0.02 0.02) = 0.013% HB3 GLU- 50 - HN VAL 105 7.143% * 0.0075% (0.08 1.0 0.02 0.02) = 0.008% HB3 PRO 116 - HN VAL 105 7.143% * 0.0043% (0.04 1.0 0.02 0.02) = 0.004% HG2 PRO 31 - HN VAL 105 7.143% * 0.0038% (0.04 1.0 0.02 0.02) = 0.004% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 527 (1.98, 8.82, 121.40 ppm): 8 chemical-shift based assignments, quality = 0.791, support = 0.184, residual support = 0.168: HB VAL 73 - HN LYS+ 32 12.500% * 59.1691% (0.86 0.26 0.27) = 59.169% kept HB2 LYS+ 108 - HN LYS+ 32 12.500% * 19.0354% (0.89 0.08 0.02) = 19.035% kept HB3 GLU- 109 - HN LYS+ 32 12.500% * 11.3170% (0.45 0.10 0.02) = 11.317% kept HG3 PRO 104 - HN LYS+ 32 12.500% * 4.7890% (0.92 0.02 0.02) = 4.789% kept HB VAL 122 - HN LYS+ 32 12.500% * 2.1328% (0.41 0.02 0.02) = 2.133% kept HG3 PRO 116 - HN LYS+ 32 12.500% * 1.6012% (0.31 0.02 0.02) = 1.601% kept HG2 PRO 86 - HN LYS+ 32 12.500% * 1.1550% (0.22 0.02 0.02) = 1.155% kept HB VAL 105 - HN LYS+ 32 12.500% * 0.8005% (0.15 0.02 0.02) = 0.800% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 528 (1.58, 8.82, 121.40 ppm): 10 chemical-shift based assignments, quality = 0.732, support = 2.63, residual support = 37.4: * O HB3 LYS+ 32 - HN LYS+ 32 10.000% * 94.6625% (0.76 10.0 2.66 37.70) = 94.662% kept HD3 LYS+ 32 - HN LYS+ 32 10.000% * 4.4228% (0.28 1.0 2.57 37.70) = 4.423% kept HD3 LYS+ 60 - HN LYS+ 32 10.000% * 0.4519% (0.80 1.0 0.09 0.02) = 0.452% HG3 LYS+ 60 - HN LYS+ 32 10.000% * 0.1143% (0.92 1.0 0.02 0.02) = 0.114% HB ILE 19 - HN LYS+ 32 10.000% * 0.1111% (0.89 1.0 0.02 0.02) = 0.111% HG LEU 17 - HN LYS+ 32 10.000% * 0.1074% (0.86 1.0 0.02 0.02) = 0.107% HB3 LEU 90 - HN LYS+ 32 10.000% * 0.0465% (0.37 1.0 0.02 0.17) = 0.046% HG13 ILE 29 - HN LYS+ 32 10.000% * 0.0344% (0.28 1.0 0.02 0.02) = 0.034% HB3 LEU 17 - HN LYS+ 32 10.000% * 0.0245% (0.20 1.0 0.02 0.02) = 0.025% QG2 THR 24 - HN LYS+ 32 10.000% * 0.0245% (0.20 1.0 0.02 0.02) = 0.025% Peak 529 (4.46, 8.82, 121.40 ppm): 9 chemical-shift based assignments, quality = 0.955, support = 3.54, residual support = 37.5: * O HA LYS+ 32 - HN LYS+ 32 11.111% * 99.4615% (0.96 10.0 3.56 37.70) = 99.461% kept HA ILE 100 - HN LYS+ 32 11.111% * 0.1031% (1.00 1.0 0.02 0.02) = 0.103% HA ILE 101 - HN LYS+ 32 11.111% * 0.1028% (0.99 1.0 0.02 0.02) = 0.103% HA PRO 86 - HN LYS+ 32 11.111% * 0.1021% (0.99 1.0 0.02 0.02) = 0.102% HA GLU- 50 - HN LYS+ 32 11.111% * 0.0951% (0.92 1.0 0.02 0.02) = 0.095% HA VAL 99 - HN LYS+ 32 11.111% * 0.0825% (0.80 1.0 0.02 0.35) = 0.083% HA ASN 76 - HN LYS+ 32 11.111% * 0.0229% (0.22 1.0 0.02 0.02) = 0.023% HB THR 24 - HN LYS+ 32 11.111% * 0.0159% (0.15 1.0 0.02 0.02) = 0.016% HA LYS+ 111 - HN LYS+ 32 11.111% * 0.0139% (0.13 1.0 0.02 0.02) = 0.014% Peak 530 (4.73, 8.82, 121.40 ppm): 4 chemical-shift based assignments, quality = 0.702, support = 3.23, residual support = 7.54: * O HA PRO 31 - HN LYS+ 32 25.000% * 93.4698% (0.72 10.0 3.29 7.89) = 93.470% kept HA2 GLY 30 - HN LYS+ 32 25.000% * 6.3946% (0.41 1.0 2.42 2.62) = 6.395% kept HA MET 118 - HN LYS+ 32 25.000% * 0.0729% (0.56 1.0 0.02 0.02) = 0.073% HA VAL 40 - HN LYS+ 32 25.000% * 0.0627% (0.48 1.0 0.02 0.02) = 0.063% Peak 531 (8.99, 8.82, 121.40 ppm): 1 chemical-shift based assignment, quality = 0.222, support = 0.343, residual support = 0.343: HN MET 97 - HN LYS+ 32 100.000% *100.0000% (0.22 0.34 0.34) = 100.000% kept Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 532 (7.31, 8.82, 121.40 ppm): 7 chemical-shift based assignments, quality = 0.658, support = 1.76, residual support = 16.3: QD PHE 34 - HN LYS+ 32 14.286% * 52.3246% (0.86 2.06 17.88) = 52.325% kept HZ PHE 34 - HN LYS+ 32 14.286% * 24.0563% (0.41 2.00 17.88) = 24.056% kept * QE PHE 34 - HN LYS+ 32 14.286% * 14.3936% (0.41 1.20 17.88) = 14.394% kept HZ2 TRP 51 - HN LYS+ 32 14.286% * 4.8991% (0.41 0.41 0.26) = 4.899% kept HN VAL 47 - HN LYS+ 32 14.286% * 2.3235% (0.92 0.09 0.10) = 2.323% kept HN ILE 48 - HN LYS+ 32 14.286% * 1.4500% (0.52 0.09 2.15) = 1.450% kept HN ARG+ 84 - HN LYS+ 32 14.286% * 0.5529% (0.94 0.02 0.02) = 0.553% Peak 535 (0.94, 8.30, 121.53 ppm): 10 chemical-shift based assignments, quality = 0.564, support = 1.71, residual support = 4.78: * QG2 VAL 99 - HN VAL 99 10.000% * 37.8419% (0.45 2.97 10.93) = 37.842% kept HG12 ILE 68 - HN VAL 99 10.000% * 21.7487% (0.72 1.08 1.30) = 21.749% kept HG LEU 74 - HN VAL 99 10.000% * 21.1364% (0.54 1.40 1.67) = 21.136% kept QG2 ILE 29 - HN VAL 99 10.000% * 8.0119% (0.72 0.40 0.02) = 8.012% kept HG12 ILE 29 - HN VAL 99 10.000% * 7.3095% (0.77 0.34 0.02) = 7.310% kept QG2 VAL 73 - HN VAL 99 10.000% * 2.3029% (0.36 0.23 0.02) = 2.303% kept QG1 VAL 105 - HN VAL 99 10.000% * 0.4350% (0.77 0.02 0.02) = 0.435% QD1 LEU 17 - HN VAL 99 10.000% * 0.4264% (0.76 0.02 0.33) = 0.426% QG2 VAL 62 - HN VAL 99 10.000% * 0.4264% (0.76 0.02 0.02) = 0.426% HG3 LYS+ 63 - HN VAL 99 10.000% * 0.3609% (0.64 0.02 0.02) = 0.361% Peak 536 (2.16, 8.30, 121.53 ppm): 11 chemical-shift based assignments, quality = 0.151, support = 2.72, residual support = 10.0: O HB VAL 99 - HN VAL 99 9.091% * 91.8594% (0.14 10.0 2.94 10.93) = 91.859% kept HB3 GLU- 75 - HN VAL 99 9.091% * 3.0316% (0.42 1.0 0.23 0.02) = 3.032% kept HA1 GLY 58 - HN VAL 99 9.091% * 1.5518% (0.22 1.0 0.22 0.02) = 1.552% kept HB2 ASP- 28 - HN VAL 99 9.091% * 1.5113% (0.18 1.0 0.26 0.40) = 1.511% kept HG2 PRO 104 - HN VAL 99 9.091% * 0.5199% (0.82 1.0 0.02 0.02) = 0.520% HG2 GLN 102 - HN VAL 99 9.091% * 0.3393% (0.53 1.0 0.02 0.02) = 0.339% HB3 LYS+ 78 - HN VAL 99 9.091% * 0.3393% (0.53 1.0 0.02 0.02) = 0.339% HB2 ASP- 82 - HN VAL 99 9.091% * 0.3181% (0.50 1.0 0.02 0.02) = 0.318% HB3 PRO 104 - HN VAL 99 9.091% * 0.2156% (0.34 1.0 0.02 0.02) = 0.216% HG3 GLN 102 - HN VAL 99 9.091% * 0.1969% (0.31 1.0 0.02 0.02) = 0.197% HB VAL 47 - HN VAL 99 9.091% * 0.1168% (0.18 1.0 0.02 0.02) = 0.117% Peak 537 (4.92, 8.30, 121.53 ppm): 3 chemical-shift based assignments, quality = 0.798, support = 2.97, residual support = 13.3: * O HA HIS+ 98 - HN VAL 99 33.333% * 99.8107% (0.80 10.0 2.98 13.36) = 99.811% kept HA GLN 102 - HN VAL 99 33.333% * 0.0946% (0.76 1.0 0.02 0.02) = 0.095% HA ALA 33 - HN VAL 99 33.333% * 0.0946% (0.76 1.0 0.02 0.02) = 0.095% Peak 538 (3.15, 8.30, 121.53 ppm): 10 chemical-shift based assignments, quality = 0.6, support = 2.86, residual support = 10.3: * HB3 HIS+ 98 - HN VAL 99 10.000% * 76.8487% (0.61 3.61 13.36) = 76.849% kept HD3 PRO 35 - HN VAL 99 10.000% * 10.3537% (0.80 0.37 0.02) = 10.354% kept HB3 PHE 34 - HN VAL 99 10.000% * 7.6200% (0.49 0.45 0.02) = 7.620% kept HD3 ARG+ 84 - HN VAL 99 10.000% * 2.6083% (0.25 0.30 0.02) = 2.608% kept HA1 GLY 58 - HN VAL 99 10.000% * 1.4236% (0.19 0.22 0.02) = 1.424% kept HD2 ARG+ 53 - HN VAL 99 10.000% * 0.5372% (0.77 0.02 0.02) = 0.537% HE3 LYS+ 117 - HN VAL 99 10.000% * 0.1718% (0.25 0.02 0.02) = 0.172% HE3 LYS+ 108 - HN VAL 99 10.000% * 0.1718% (0.25 0.02 0.02) = 0.172% HE3 LYS+ 72 - HN VAL 99 10.000% * 0.1548% (0.22 0.02 0.02) = 0.155% HE3 LYS+ 81 - HN VAL 99 10.000% * 0.1102% (0.16 0.02 0.02) = 0.110% Peak 539 (2.89, 8.30, 121.53 ppm): 2 chemical-shift based assignments, quality = 0.638, support = 3.35, residual support = 12.6: * HB2 HIS+ 98 - HN VAL 99 50.000% * 94.6614% (0.64 3.53 13.36) = 94.661% kept HA1 GLY 58 - HN VAL 99 50.000% * 5.3386% (0.58 0.22 0.02) = 5.339% kept Peak 540 (1.66, 8.30, 121.53 ppm): 5 chemical-shift based assignments, quality = 0.634, support = 2.47, residual support = 1.62: HB3 ARG+ 22 - HN VAL 99 20.000% * 47.6033% (0.60 2.75 2.11) = 47.603% kept HB3 MET 97 - HN VAL 99 20.000% * 47.0442% (0.66 2.46 1.30) = 47.044% kept HG3 ARG+ 84 - HN VAL 99 20.000% * 2.9047% (0.79 0.13 0.02) = 2.905% kept HB3 MET 126 - HN VAL 99 20.000% * 2.2849% (0.71 0.11 0.02) = 2.285% kept HD3 LYS+ 55 - HN VAL 99 20.000% * 0.1628% (0.28 0.02 0.02) = 0.163% Reference assignment not found: HB VAL 99 - HN VAL 99 Peak 541 (0.58, 8.31, 121.53 ppm): 2 chemical-shift based assignments, quality = 0.665, support = 1.77, residual support = 6.71: QD1 LEU 23 - HN VAL 99 50.000% * 91.1187% (0.69 1.91 7.36) = 91.119% kept QD1 ILE 101 - HN VAL 99 50.000% * 8.8813% (0.41 0.32 0.02) = 8.881% kept Peak 542 (4.98, 8.30, 121.53 ppm): 2 chemical-shift based assignments, quality = 0.405, support = 0.724, residual support = 1.17: HA ILE 68 - HN VAL 99 50.000% * 90.2696% (0.43 0.78 1.30) = 90.270% kept HA PHE 34 - HN VAL 99 50.000% * 9.7304% (0.14 0.25 0.02) = 9.730% kept Peak 543 (4.76, 8.46, 121.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 544 (4.35, 8.46, 121.46 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 545 (8.08, 8.09, 121.23 ppm): 1 diagonal assignment: * HN LYS+ 110 - HN LYS+ 110 (0.86) kept Peak 546 (1.61, 8.09, 121.23 ppm): 10 chemical-shift based assignments, quality = 0.851, support = 3.17, residual support = 8.35: HG3 LYS+ 110 - HN LYS+ 110 10.000% * 48.3716% (0.87 3.68 9.20) = 48.372% kept * HG2 LYS+ 110 - HN LYS+ 110 10.000% * 42.4263% (0.87 3.23 9.20) = 42.426% kept HB3 LEU 17 - HN LYS+ 110 10.000% * 4.0901% (0.84 0.32 0.02) = 4.090% kept HB3 LYS+ 32 - HN LYS+ 110 10.000% * 2.0130% (0.36 0.37 0.02) = 2.013% kept HD3 LYS+ 32 - HN LYS+ 110 10.000% * 1.4067% (0.78 0.12 0.02) = 1.407% kept HG3 LYS+ 78 - HN LYS+ 110 10.000% * 1.2000% (0.70 0.11 0.02) = 1.200% kept HG12 ILE 101 - HN LYS+ 110 10.000% * 0.1280% (0.42 0.02 0.02) = 0.128% HB2 LEU 67 - HN LYS+ 110 10.000% * 0.1280% (0.42 0.02 0.02) = 0.128% HB ILE 100 - HN LYS+ 110 10.000% * 0.1280% (0.42 0.02 0.02) = 0.128% HG LEU 23 - HN LYS+ 110 10.000% * 0.1082% (0.36 0.02 0.02) = 0.108% Peak 547 (8.07, 8.08, 121.15 ppm): 1 diagonal assignment: * HN LYS+ 110 - HN LYS+ 110 (0.68) kept Peak 548 (2.21, 8.08, 121.15 ppm): 14 chemical-shift based assignments, quality = 0.851, support = 2.2, residual support = 5.92: * HG3 GLU- 109 - HN LYS+ 110 7.143% * 73.0675% (0.93 2.86 7.99) = 73.068% kept HG3 MET 118 - HN LYS+ 110 7.143% * 12.5104% (0.64 0.72 0.64) = 12.510% kept HB2 LYS+ 113 - HN LYS+ 110 7.143% * 5.8067% (0.79 0.27 0.02) = 5.807% kept HB2 GLU- 50 - HN LYS+ 110 7.143% * 2.7232% (0.86 0.12 0.02) = 2.723% kept HG3 GLU- 18 - HN LYS+ 110 7.143% * 2.2066% (0.79 0.10 0.02) = 2.207% kept HG3 GLU- 75 - HN LYS+ 110 7.143% * 1.1186% (0.30 0.13 0.02) = 1.119% kept HG3 MET 126 - HN LYS+ 110 7.143% * 0.5302% (0.97 0.02 0.02) = 0.530% HG3 GLU- 54 - HN LYS+ 110 7.143% * 0.4993% (0.91 0.02 0.02) = 0.499% HG3 GLU- 107 - HN LYS+ 110 7.143% * 0.4518% (0.82 0.02 0.02) = 0.452% HG2 MET 126 - HN LYS+ 110 7.143% * 0.3281% (0.60 0.02 0.02) = 0.328% HB3 PRO 52 - HN LYS+ 110 7.143% * 0.2846% (0.52 0.02 0.02) = 0.285% HB VAL 99 - HN LYS+ 110 7.143% * 0.2030% (0.37 0.02 0.02) = 0.203% HA1 GLY 58 - HN LYS+ 110 7.143% * 0.1866% (0.34 0.02 0.02) = 0.187% HB3 PRO 104 - HN LYS+ 110 7.143% * 0.0835% (0.15 0.02 0.02) = 0.083% Peak 549 (4.22, 8.08, 121.15 ppm): 12 chemical-shift based assignments, quality = 0.865, support = 2.23, residual support = 8.64: * O HA LYS+ 110 - HN LYS+ 110 8.333% * 56.1294% (0.99 10.0 1.87 9.20) = 56.129% kept O HA GLU- 109 - HN LYS+ 110 8.333% * 43.5361% (0.72 10.0 2.70 7.99) = 43.536% kept HB3 SER 49 - HN LYS+ 110 8.333% * 0.0598% (0.98 1.0 0.02 0.02) = 0.060% HA ALA 42 - HN LYS+ 110 8.333% * 0.0598% (0.98 1.0 0.02 0.02) = 0.060% HA GLU- 18 - HN LYS+ 110 8.333% * 0.0480% (0.79 1.0 0.02 0.02) = 0.048% HA SER 49 - HN LYS+ 110 8.333% * 0.0458% (0.75 1.0 0.02 0.02) = 0.046% HA GLU- 54 - HN LYS+ 110 8.333% * 0.0412% (0.68 1.0 0.02 0.02) = 0.041% HA ASP- 82 - HN LYS+ 110 8.333% * 0.0269% (0.44 1.0 0.02 0.02) = 0.027% HA PRO 59 - HN LYS+ 110 8.333% * 0.0149% (0.25 1.0 0.02 0.02) = 0.015% HA GLU- 64 - HN LYS+ 110 8.333% * 0.0133% (0.22 1.0 0.02 0.02) = 0.013% HA LYS+ 108 - HN LYS+ 110 8.333% * 0.0133% (0.22 1.0 0.02 0.02) = 0.013% HA LYS+ 44 - HN LYS+ 110 8.333% * 0.0113% (0.19 1.0 0.02 0.02) = 0.011% Peak 550 (1.61, 8.08, 121.15 ppm): 10 chemical-shift based assignments, quality = 0.962, support = 3.18, residual support = 8.37: HG3 LYS+ 110 - HN LYS+ 110 10.000% * 48.3719% (0.98 3.68 9.20) = 48.372% kept * HG2 LYS+ 110 - HN LYS+ 110 10.000% * 42.6156% (0.99 3.23 9.20) = 42.616% kept HB3 LEU 17 - HN LYS+ 110 10.000% * 4.0181% (0.93 0.32 0.02) = 4.018% kept HB3 LYS+ 32 - HN LYS+ 110 10.000% * 1.8418% (0.37 0.37 0.02) = 1.842% kept HD3 LYS+ 32 - HN LYS+ 110 10.000% * 1.3636% (0.86 0.12 0.02) = 1.364% kept HG3 LYS+ 78 - HN LYS+ 110 10.000% * 1.2545% (0.82 0.11 0.02) = 1.255% kept HG12 ILE 101 - HN LYS+ 110 10.000% * 0.1387% (0.52 0.02 0.02) = 0.139% HB2 LEU 67 - HN LYS+ 110 10.000% * 0.1387% (0.52 0.02 0.02) = 0.139% HB ILE 100 - HN LYS+ 110 10.000% * 0.1387% (0.52 0.02 0.02) = 0.139% HG LEU 23 - HN LYS+ 110 10.000% * 0.1182% (0.44 0.02 0.02) = 0.118% Peak 551 (4.75, 8.08, 121.15 ppm): 5 chemical-shift based assignments, quality = 0.855, support = 0.254, residual support = 0.381: HA MET 118 - HN LYS+ 110 20.000% * 58.0236% (0.98 0.31 0.64) = 58.024% kept HA VAL 40 - HN LYS+ 110 20.000% * 25.5124% (0.99 0.13 0.02) = 25.512% kept HA ASP- 115 - HN LYS+ 110 20.000% * 13.8100% (0.25 0.29 0.02) = 13.810% kept HA PRO 31 - HN LYS+ 110 20.000% * 2.0654% (0.13 0.08 0.02) = 2.065% kept HA PRO 116 - HN LYS+ 110 20.000% * 0.5886% (0.15 0.02 0.02) = 0.589% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 552 (4.45, 8.30, 121.27 ppm): 8 chemical-shift based assignments, quality = 0.543, support = 2.75, residual support = 10.5: * O HA VAL 99 - HN VAL 99 12.500% * 92.8613% (0.56 10.0 2.85 10.93) = 92.861% kept HA ILE 100 - HN VAL 99 12.500% * 6.2312% (0.44 1.0 1.68 4.96) = 6.231% kept HA ILE 101 - HN VAL 99 12.500% * 0.6106% (0.46 1.0 0.16 0.02) = 0.611% HA GLU- 50 - HN VAL 99 12.500% * 0.0896% (0.54 1.0 0.02 0.02) = 0.090% HA PRO 86 - HN VAL 99 12.500% * 0.0674% (0.40 1.0 0.02 0.02) = 0.067% HA LYS+ 32 - HN VAL 99 12.500% * 0.0601% (0.36 1.0 0.02 0.35) = 0.060% HB THR 24 - HN VAL 99 12.500% * 0.0416% (0.25 1.0 0.02 0.02) = 0.042% HA LYS+ 111 - HN VAL 99 12.500% * 0.0382% (0.23 1.0 0.02 0.02) = 0.038% 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): 30 chemical-shift based assignments, quality = 0.789, support = 2.38, residual support = 11.1: * O HB VAL 105 - HN VAL 105 3.333% * 98.4718% (0.80 10.0 2.42 11.26) = 98.472% kept HB3 PRO 112 - HN VAL 105 3.333% * 0.1227% (1.00 1.0 0.02 0.02) = 0.123% HB2 PRO 112 - HN VAL 105 3.333% * 0.1227% (1.00 1.0 0.02 0.02) = 0.123% HG2 PRO 116 - HN VAL 105 3.333% * 0.1219% (0.99 1.0 0.02 0.02) = 0.122% HB2 LYS+ 44 - HN VAL 105 3.333% * 0.1187% (0.97 1.0 0.02 0.02) = 0.119% HB3 PRO 31 - HN VAL 105 3.333% * 0.1187% (0.97 1.0 0.02 0.02) = 0.119% HG2 GLU- 64 - HN VAL 105 3.333% * 0.1135% (0.92 1.0 0.02 0.02) = 0.114% HB2 GLU- 18 - HN VAL 105 3.333% * 0.1067% (0.87 1.0 0.02 0.02) = 0.107% HB3 GLU- 45 - HN VAL 105 3.333% * 0.0985% (0.80 1.0 0.02 0.02) = 0.098% HG2 PRO 86 - HN VAL 105 3.333% * 0.0845% (0.69 1.0 0.02 0.02) = 0.084% HB3 GLU- 107 - HN VAL 105 3.333% * 0.0796% (0.65 1.0 0.02 0.02) = 0.080% HB3 LYS+ 110 - HN VAL 105 3.333% * 0.0599% (0.49 1.0 0.02 0.02) = 0.060% HB3 GLU- 75 - HN VAL 105 3.333% * 0.0502% (0.41 1.0 0.02 0.02) = 0.050% HB VAL 62 - HN VAL 105 3.333% * 0.0342% (0.28 1.0 0.02 0.02) = 0.034% HG3 PRO 86 - HN VAL 105 3.333% * 0.0342% (0.28 1.0 0.02 0.02) = 0.034% HB2 PRO 112 - HN VAL 94 3.333% * 0.0236% (0.19 1.0 0.02 0.02) = 0.024% HB3 PRO 112 - HN VAL 94 3.333% * 0.0236% (0.19 1.0 0.02 0.02) = 0.024% HG2 PRO 116 - HN VAL 94 3.333% * 0.0234% (0.19 1.0 0.02 0.16) = 0.023% HB2 LYS+ 44 - HN VAL 94 3.333% * 0.0228% (0.19 1.0 0.02 0.49) = 0.023% HB3 PRO 31 - HN VAL 94 3.333% * 0.0228% (0.19 1.0 0.02 0.02) = 0.023% HG2 GLU- 64 - HN VAL 94 3.333% * 0.0218% (0.18 1.0 0.02 0.02) = 0.022% HB2 GLU- 18 - HN VAL 94 3.333% * 0.0205% (0.17 1.0 0.02 0.02) = 0.021% HB VAL 105 - HN VAL 94 3.333% * 0.0189% (0.15 1.0 0.02 0.94) = 0.019% HB3 GLU- 45 - HN VAL 94 3.333% * 0.0189% (0.15 1.0 0.02 0.24) = 0.019% HG2 PRO 86 - HN VAL 94 3.333% * 0.0162% (0.13 1.0 0.02 0.02) = 0.016% HB3 GLU- 107 - HN VAL 94 3.333% * 0.0153% (0.12 1.0 0.02 0.02) = 0.015% HB3 LYS+ 110 - HN VAL 94 3.333% * 0.0115% (0.09 1.0 0.02 0.02) = 0.012% HB3 GLU- 75 - HN VAL 94 3.333% * 0.0097% (0.08 1.0 0.02 0.02) = 0.010% HB VAL 62 - HN VAL 94 3.333% * 0.0066% (0.05 1.0 0.02 0.02) = 0.007% HG3 PRO 86 - HN VAL 94 3.333% * 0.0066% (0.05 1.0 0.02 0.02) = 0.007% Peak 555 (4.38, 8.22, 121.12 ppm): 20 chemical-shift based assignments, quality = 0.702, support = 1.31, residual support = 0.958: HA THR 95 - HN VAL 105 5.000% * 45.6084% (0.65 2.11 1.20) = 45.608% kept HA LYS+ 60 - HN VAL 105 5.000% * 24.8065% (0.87 0.86 0.14) = 24.806% kept HA TRP 51 - HN VAL 105 5.000% * 8.3191% (1.00 0.25 0.02) = 8.319% kept HA SER 88 - HN VAL 105 5.000% * 7.5808% (0.80 0.28 0.02) = 7.581% kept HA THR 95 - HN VAL 94 5.000% * 6.0065% (0.12 1.44 6.17) = 6.007% kept HA ASN 57 - HN VAL 105 5.000% * 4.0620% (0.95 0.13 0.02) = 4.062% kept HA ASN 57 - HN VAL 94 5.000% * 1.1584% (0.18 0.19 0.02) = 1.158% kept HA ALA 37 - HN VAL 105 5.000% * 0.6175% (0.92 0.02 0.02) = 0.618% HA THR 38 - HN VAL 105 5.000% * 0.5112% (0.76 0.02 0.02) = 0.511% HA2 GLY 26 - HN VAL 105 5.000% * 0.2999% (0.45 0.02 0.02) = 0.300% HA LYS+ 117 - HN VAL 105 5.000% * 0.2282% (0.34 0.02 0.02) = 0.228% HA TRP 51 - HN VAL 94 5.000% * 0.1284% (0.19 0.02 0.02) = 0.128% HA ALA 37 - HN VAL 94 5.000% * 0.1188% (0.18 0.02 0.02) = 0.119% HA1 GLY 26 - HN VAL 105 5.000% * 0.1172% (0.18 0.02 0.02) = 0.117% HA LYS+ 60 - HN VAL 94 5.000% * 0.1116% (0.17 0.02 0.20) = 0.112% HA SER 88 - HN VAL 94 5.000% * 0.1030% (0.15 0.02 0.02) = 0.103% HA THR 38 - HN VAL 94 5.000% * 0.0983% (0.15 0.02 0.02) = 0.098% HA2 GLY 26 - HN VAL 94 5.000% * 0.0577% (0.09 0.02 0.02) = 0.058% HA LYS+ 117 - HN VAL 94 5.000% * 0.0439% (0.07 0.02 0.02) = 0.044% HA1 GLY 26 - HN VAL 94 5.000% * 0.0225% (0.03 0.02 0.02) = 0.023% Reference assignment not found: HA VAL 73 - HN VAL 94 Peak 556 (0.89, 8.22, 121.12 ppm): 28 chemical-shift based assignments, quality = 0.813, support = 2.2, residual support = 8.96: * QG2 VAL 105 - HN VAL 105 3.571% * 78.8794% (0.92 2.70 11.26) = 78.879% kept HG LEU 74 - HN VAL 105 3.571% * 10.6188% (0.54 0.62 0.63) = 10.619% kept QG2 VAL 87 - HN VAL 105 3.571% * 2.9463% (0.80 0.12 0.02) = 2.946% kept QG2 VAL 73 - HN VAL 105 3.571% * 1.0636% (0.22 0.15 0.02) = 1.064% kept HG LEU 74 - HN VAL 94 3.571% * 1.0289% (0.10 0.31 0.72) = 1.029% kept QG1 VAL 80 - HN VAL 105 3.571% * 0.6114% (0.97 0.02 0.02) = 0.611% QG1 VAL 47 - HN VAL 105 3.571% * 0.5681% (0.90 0.02 0.02) = 0.568% QG1 VAL 122 - HN VAL 105 3.571% * 0.5495% (0.87 0.02 0.02) = 0.550% QD1 LEU 67 - HN VAL 105 3.571% * 0.5291% (0.84 0.02 0.02) = 0.529% HG13 ILE 68 - HN VAL 105 3.571% * 0.4841% (0.76 0.02 0.02) = 0.484% QG2 VAL 47 - HN VAL 105 3.571% * 0.4600% (0.73 0.02 0.02) = 0.460% QG2 VAL 125 - HN VAL 105 3.571% * 0.4351% (0.69 0.02 0.02) = 0.435% QG1 VAL 40 - HN VAL 105 3.571% * 0.4098% (0.65 0.02 0.02) = 0.410% QG2 VAL 122 - HN VAL 105 3.571% * 0.2378% (0.38 0.02 0.02) = 0.238% QG1 VAL 80 - HN VAL 94 3.571% * 0.1176% (0.19 0.02 0.02) = 0.118% QG2 VAL 105 - HN VAL 94 3.571% * 0.1125% (0.18 0.02 0.94) = 0.112% QG1 VAL 47 - HN VAL 94 3.571% * 0.1093% (0.17 0.02 0.02) = 0.109% QG1 VAL 122 - HN VAL 94 3.571% * 0.1057% (0.17 0.02 0.16) = 0.106% QD1 LEU 67 - HN VAL 94 3.571% * 0.1018% (0.16 0.02 0.02) = 0.102% QG2 ILE 100 - HN VAL 105 3.571% * 0.0977% (0.15 0.02 0.02) = 0.098% QG2 VAL 87 - HN VAL 94 3.571% * 0.0976% (0.15 0.02 0.02) = 0.098% HG13 ILE 68 - HN VAL 94 3.571% * 0.0931% (0.15 0.02 0.02) = 0.093% QG2 VAL 47 - HN VAL 94 3.571% * 0.0885% (0.14 0.02 0.02) = 0.088% QG2 VAL 125 - HN VAL 94 3.571% * 0.0837% (0.13 0.02 0.02) = 0.084% QG1 VAL 40 - HN VAL 94 3.571% * 0.0788% (0.12 0.02 0.02) = 0.079% QG2 VAL 122 - HN VAL 94 3.571% * 0.0457% (0.07 0.02 0.16) = 0.046% QG2 VAL 73 - HN VAL 94 3.571% * 0.0271% (0.04 0.02 0.02) = 0.027% QG2 ILE 100 - HN VAL 94 3.571% * 0.0188% (0.03 0.02 0.02) = 0.019% 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): 22 chemical-shift based assignments, quality = 0.592, support = 2.63, residual support = 5.48: * O HB3 PRO 104 - HN VAL 105 4.545% * 75.6429% (0.49 10.0 2.64 5.62) = 75.643% kept HG2 PRO 104 - HN VAL 105 4.545% * 21.9293% (1.00 1.0 2.82 5.62) = 21.929% kept HA1 GLY 58 - HN VAL 105 4.545% * 1.6300% (0.27 1.0 0.78 0.23) = 1.630% kept HA1 GLY 58 - HN VAL 94 4.545% * 0.1332% (0.05 1.0 0.33 0.21) = 0.133% HG2 GLN 102 - HN VAL 105 4.545% * 0.1128% (0.73 1.0 0.02 0.02) = 0.113% HB2 ASP- 82 - HN VAL 105 4.545% * 0.1067% (0.69 1.0 0.02 0.02) = 0.107% HB3 LYS+ 78 - HN VAL 105 4.545% * 0.0880% (0.57 1.0 0.02 0.02) = 0.088% HB3 GLU- 75 - HN VAL 105 4.545% * 0.0756% (0.49 1.0 0.02 0.02) = 0.076% HG3 GLN 102 - HN VAL 105 4.545% * 0.0480% (0.31 1.0 0.02 0.02) = 0.048% HB VAL 99 - HN VAL 105 4.545% * 0.0346% (0.22 1.0 0.02 0.02) = 0.035% HG2 PRO 104 - HN VAL 94 4.545% * 0.0299% (0.19 1.0 0.02 1.36) = 0.030% HB VAL 47 - HN VAL 105 4.545% * 0.0272% (0.18 1.0 0.02 0.02) = 0.027% HB2 ASP- 28 - HN VAL 105 4.545% * 0.0272% (0.18 1.0 0.02 0.02) = 0.027% HG2 GLN 102 - HN VAL 94 4.545% * 0.0217% (0.14 1.0 0.02 0.02) = 0.022% HB2 ASP- 82 - HN VAL 94 4.545% * 0.0205% (0.13 1.0 0.02 0.02) = 0.021% HB3 LYS+ 78 - HN VAL 94 4.545% * 0.0169% (0.11 1.0 0.02 0.02) = 0.017% HB3 GLU- 75 - HN VAL 94 4.545% * 0.0146% (0.09 1.0 0.02 0.02) = 0.015% HB3 PRO 104 - HN VAL 94 4.545% * 0.0146% (0.09 1.0 0.02 1.36) = 0.015% HG3 GLN 102 - HN VAL 94 4.545% * 0.0092% (0.06 1.0 0.02 0.02) = 0.009% HB VAL 99 - HN VAL 94 4.545% * 0.0067% (0.04 1.0 0.02 0.02) = 0.007% HB2 ASP- 28 - HN VAL 94 4.545% * 0.0052% (0.03 1.0 0.02 0.02) = 0.005% HB VAL 47 - HN VAL 94 4.545% * 0.0052% (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 = 0.418, support = 0.578, residual support = 0.874: HG LEU 74 - HN VAL 105 5.556% * 25.1757% (0.51 0.62 0.63) = 25.176% kept HB3 LYS+ 20 - HN VAL 105 5.556% * 17.2260% (0.90 0.24 0.02) = 17.226% kept QB ALA 91 - HN VAL 94 5.556% * 13.8714% (0.16 1.08 2.34) = 13.871% kept HB3 LYS+ 20 - HN VAL 94 5.556% * 10.4371% (0.17 0.76 2.57) = 10.437% kept HG13 ILE 19 - HN VAL 94 5.556% * 7.7483% (0.12 0.83 0.19) = 7.748% kept HG2 LYS+ 78 - HN VAL 94 5.556% * 5.8077% (0.19 0.39 0.02) = 5.808% kept HG13 ILE 19 - HN VAL 105 5.556% * 3.6841% (0.61 0.08 0.02) = 3.684% kept HD3 LYS+ 20 - HN VAL 94 5.556% * 3.1593% (0.05 0.74 2.57) = 3.159% kept HB2 LEU 17 - HN VAL 94 5.556% * 2.5201% (0.03 1.07 0.02) = 2.520% kept HG LEU 74 - HN VAL 94 5.556% * 2.4394% (0.10 0.31 0.72) = 2.439% kept HG3 ARG+ 22 - HN VAL 94 5.556% * 1.6700% (0.12 0.17 0.14) = 1.670% kept HG2 LYS+ 78 - HN VAL 105 5.556% * 1.5620% (0.98 0.02 0.02) = 1.562% kept QG2 THR 39 - HN VAL 105 5.556% * 1.3823% (0.87 0.02 0.02) = 1.382% kept QB ALA 91 - HN VAL 105 5.556% * 1.3310% (0.84 0.02 0.02) = 1.331% kept HG3 ARG+ 22 - HN VAL 105 5.556% * 1.0309% (0.65 0.02 0.02) = 1.031% kept HD3 LYS+ 20 - HN VAL 105 5.556% * 0.4431% (0.28 0.02 0.02) = 0.443% QG2 THR 39 - HN VAL 94 5.556% * 0.2659% (0.17 0.02 0.02) = 0.266% HB2 LEU 17 - HN VAL 105 5.556% * 0.2459% (0.15 0.02 0.02) = 0.246% Peak 560 (4.10, 8.22, 121.12 ppm): 16 chemical-shift based assignments, quality = 0.976, support = 2.61, residual support = 11.0: * O HA VAL 105 - HN VAL 105 6.250% * 94.9562% (1.00 10.0 2.70 11.26) = 94.956% kept HB THR 106 - HN VAL 105 6.250% * 3.8361% (0.69 1.0 1.18 7.84) = 3.836% kept HA LYS+ 44 - HN VAL 105 6.250% * 0.8674% (0.65 1.0 0.28 0.02) = 0.867% HA THR 46 - HN VAL 105 6.250% * 0.0852% (0.90 1.0 0.02 0.02) = 0.085% HA ALA 70 - HN VAL 105 6.250% * 0.0793% (0.84 1.0 0.02 0.02) = 0.079% HA ARG+ 53 - HN VAL 105 6.250% * 0.0538% (0.57 1.0 0.02 0.02) = 0.054% HA VAL 105 - HN VAL 94 6.250% * 0.0183% (0.19 1.0 0.02 0.94) = 0.018% HD2 PRO 59 - HN VAL 105 6.250% * 0.0166% (0.18 1.0 0.02 0.02) = 0.017% HA THR 46 - HN VAL 94 6.250% * 0.0164% (0.17 1.0 0.02 0.02) = 0.016% HA ALA 70 - HN VAL 94 6.250% * 0.0153% (0.16 1.0 0.02 0.02) = 0.015% HA LYS+ 63 - HN VAL 105 6.250% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% HB THR 106 - HN VAL 94 6.250% * 0.0125% (0.13 1.0 0.02 0.02) = 0.013% HA LYS+ 44 - HN VAL 94 6.250% * 0.0119% (0.13 1.0 0.02 0.49) = 0.012% HA ARG+ 53 - HN VAL 94 6.250% * 0.0103% (0.11 1.0 0.02 0.02) = 0.010% HD2 PRO 59 - HN VAL 94 6.250% * 0.0032% (0.03 1.0 0.02 1.98) = 0.003% HA LYS+ 63 - HN VAL 94 6.250% * 0.0028% (0.03 1.0 0.02 0.02) = 0.003% Peak 561 (4.20, 8.06, 121.15 ppm): 12 chemical-shift based assignments, quality = 0.444, support = 2.4, residual support = 8.4: * O HA GLU- 109 - HN LYS+ 110 8.333% * 64.3584% (0.52 10.0 2.70 7.99) = 64.358% kept O HA LYS+ 110 - HN LYS+ 110 8.333% * 35.3466% (0.31 10.0 1.87 9.20) = 35.347% kept HA ASP- 82 - HN LYS+ 110 8.333% * 0.0654% (0.53 1.0 0.02 0.02) = 0.065% HA GLU- 64 - HN LYS+ 110 8.333% * 0.0534% (0.43 1.0 0.02 0.02) = 0.053% HB3 SER 49 - HN LYS+ 110 8.333% * 0.0404% (0.33 1.0 0.02 0.02) = 0.040% HA MET 126 - HN LYS+ 110 8.333% * 0.0351% (0.28 1.0 0.02 0.02) = 0.035% HA ALA 42 - HN LYS+ 110 8.333% * 0.0351% (0.28 1.0 0.02 0.02) = 0.035% HA LYS+ 44 - HN LYS+ 110 8.333% * 0.0156% (0.13 1.0 0.02 0.02) = 0.016% HA GLU- 18 - HN LYS+ 110 8.333% * 0.0148% (0.12 1.0 0.02 0.02) = 0.015% HA SER 49 - HN LYS+ 110 8.333% * 0.0132% (0.11 1.0 0.02 0.02) = 0.013% HA VAL 73 - HN LYS+ 110 8.333% * 0.0117% (0.09 1.0 0.02 0.02) = 0.012% HA GLU- 54 - HN LYS+ 110 8.333% * 0.0103% (0.08 1.0 0.02 0.02) = 0.010% Peak 562 (1.95, 8.06, 121.15 ppm): 14 chemical-shift based assignments, quality = 0.395, support = 1.6, residual support = 4.95: * HB3 GLU- 109 - HN LYS+ 110 7.143% * 61.8117% (0.37 2.41 7.99) = 61.812% kept HG3 PRO 31 - HN LYS+ 110 7.143% * 17.0352% (0.54 0.46 0.02) = 17.035% kept HB2 PRO 116 - HN LYS+ 110 7.143% * 7.4492% (0.37 0.29 0.02) = 7.449% kept HB2 GLU- 75 - HN LYS+ 110 7.143% * 4.7344% (0.51 0.13 0.02) = 4.734% kept HG2 PRO 112 - HN LYS+ 110 7.143% * 4.7048% (0.41 0.16 0.02) = 4.705% kept HB VAL 73 - HN LYS+ 110 7.143% * 1.3916% (0.15 0.13 0.02) = 1.392% kept HB3 LYS+ 55 - HN LYS+ 110 7.143% * 0.7470% (0.54 0.02 0.02) = 0.747% HG3 PRO 116 - HN LYS+ 110 7.143% * 0.6239% (0.45 0.02 0.02) = 0.624% HB VAL 122 - HN LYS+ 110 7.143% * 0.5424% (0.39 0.02 0.02) = 0.542% HB ILE 29 - HN LYS+ 110 7.143% * 0.3071% (0.22 0.02 0.02) = 0.307% HB3 PRO 35 - HN LYS+ 110 7.143% * 0.2077% (0.15 0.02 0.02) = 0.208% HG3 PRO 104 - HN LYS+ 110 7.143% * 0.1663% (0.12 0.02 0.02) = 0.166% HB2 LEU 23 - HN LYS+ 110 7.143% * 0.1478% (0.11 0.02 0.02) = 0.148% HB3 GLU- 56 - HN LYS+ 110 7.143% * 0.1308% (0.09 0.02 0.02) = 0.131% Peak 563 (8.06, 8.06, 121.15 ppm): 1 diagonal assignment: * HN LYS+ 110 - HN LYS+ 110 (0.13) kept Peak 564 (0.82, 8.06, 121.15 ppm): 12 chemical-shift based assignments, quality = 0.393, support = 0.309, residual support = 0.239: HG2 LYS+ 113 - HN LYS+ 110 8.333% * 22.5275% (0.52 0.25 0.02) = 22.527% kept QG1 VAL 94 - HN LYS+ 110 8.333% * 22.3490% (0.54 0.24 0.02) = 22.349% kept HG LEU 74 - HN LYS+ 110 8.333% * 22.2505% (0.19 0.69 1.01) = 22.250% kept QD2 LEU 90 - HN LYS+ 110 8.333% * 12.0834% (0.49 0.15 0.02) = 12.083% kept QB ALA 93 - HN LYS+ 110 8.333% * 6.4192% (0.24 0.16 0.02) = 6.419% kept HG2 LYS+ 117 - HN LYS+ 110 8.333% * 4.8432% (0.15 0.19 0.02) = 4.843% kept HG3 LYS+ 117 - HN LYS+ 110 8.333% * 3.0507% (0.09 0.19 0.02) = 3.051% kept HG3 LYS+ 113 - HN LYS+ 110 8.333% * 1.8405% (0.54 0.02 0.02) = 1.841% kept QD2 LEU 17 - HN LYS+ 110 8.333% * 1.7802% (0.52 0.02 0.02) = 1.780% kept QD1 ILE 29 - HN LYS+ 110 8.333% * 1.3395% (0.39 0.02 0.02) = 1.339% kept QD2 LEU 67 - HN LYS+ 110 8.333% * 1.1933% (0.35 0.02 0.02) = 1.193% kept QD1 ILE 100 - HN LYS+ 110 8.333% * 0.3230% (0.09 0.02 0.02) = 0.323% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 565 (4.00, 8.06, 121.15 ppm): 6 chemical-shift based assignments, quality = 0.443, support = 0.202, residual support = 0.02: HB THR 95 - HN LYS+ 110 16.667% * 46.7658% (0.41 0.29 0.02) = 46.766% kept HB THR 39 - HN LYS+ 110 16.667% * 33.1270% (0.54 0.16 0.02) = 33.127% kept HB THR 38 - HN LYS+ 110 16.667% * 8.7094% (0.17 0.13 0.02) = 8.709% kept HA LYS+ 44 - HN LYS+ 110 16.667% * 4.2012% (0.54 0.02 0.02) = 4.201% kept HB3 SER 77 - HN LYS+ 110 16.667% * 3.9719% (0.51 0.02 0.02) = 3.972% kept HA1 GLY 92 - HN LYS+ 110 16.667% * 3.2247% (0.41 0.02 0.02) = 3.225% kept Not enough support, support cutoff is 0.25 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 = 3.63, residual support = 11.0: * T HN TYR 83 - HN ARG+ 84 50.000% * 99.9603% (0.94 10.00 3.64 11.04) = 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): 10 chemical-shift based assignments, quality = 0.891, support = 3.99, residual support = 28.6: * O HB2 ARG+ 84 - HN ARG+ 84 10.000% * 99.5181% (0.90 10.0 4.01 28.69) = 99.518% kept HB3 GLU- 18 - HN ARG+ 84 10.000% * 0.0995% (0.90 1.0 0.02 0.02) = 0.100% HB3 ARG+ 53 - HN ARG+ 84 10.000% * 0.0995% (0.90 1.0 0.02 0.02) = 0.100% HB VAL 94 - HN ARG+ 84 10.000% * 0.0889% (0.80 1.0 0.02 0.02) = 0.089% HB3 PRO 116 - HN ARG+ 84 10.000% * 0.0540% (0.49 1.0 0.02 0.02) = 0.054% HG2 PRO 31 - HN ARG+ 84 10.000% * 0.0497% (0.45 1.0 0.02 0.02) = 0.050% HB3 LYS+ 63 - HN ARG+ 84 10.000% * 0.0342% (0.31 1.0 0.02 0.02) = 0.034% HB3 LYS+ 113 - HN ARG+ 84 10.000% * 0.0194% (0.17 1.0 0.02 0.02) = 0.019% HB2 LYS+ 117 - HN ARG+ 84 10.000% * 0.0194% (0.17 1.0 0.02 0.02) = 0.019% HB3 LYS+ 108 - HN ARG+ 84 10.000% * 0.0171% (0.15 1.0 0.02 0.02) = 0.017% Peak 573 (4.27, 7.32, 121.07 ppm): 13 chemical-shift based assignments, quality = 0.991, support = 3.38, residual support = 26.5: * O HA ARG+ 84 - HN ARG+ 84 7.692% * 90.1459% (1.00 10.0 3.58 28.69) = 90.146% kept HA SER 85 - HN ARG+ 84 7.692% * 7.8834% (0.98 1.0 1.78 8.68) = 7.883% kept HA PRO 52 - HN ARG+ 84 7.692% * 1.3857% (0.98 1.0 0.31 0.02) = 1.386% kept HA VAL 65 - HN ARG+ 84 7.692% * 0.0899% (1.00 1.0 0.02 0.02) = 0.090% HD3 PRO 59 - HN ARG+ 84 7.692% * 0.0884% (0.98 1.0 0.02 0.02) = 0.088% HA ALA 91 - HN ARG+ 84 7.692% * 0.0870% (0.96 1.0 0.02 0.02) = 0.087% HA GLU- 75 - HN ARG+ 84 7.692% * 0.0782% (0.87 1.0 0.02 0.02) = 0.078% HA GLU- 56 - HN ARG+ 84 7.692% * 0.0583% (0.65 1.0 0.02 0.02) = 0.058% HA THR 106 - HN ARG+ 84 7.692% * 0.0510% (0.57 1.0 0.02 0.13) = 0.051% HA2 GLY 114 - HN ARG+ 84 7.692% * 0.0474% (0.53 1.0 0.02 0.02) = 0.047% HA LEU 90 - HN ARG+ 84 7.692% * 0.0371% (0.41 1.0 0.02 0.46) = 0.037% HA LYS+ 108 - HN ARG+ 84 7.692% * 0.0251% (0.28 1.0 0.02 0.02) = 0.025% HA PRO 59 - HN ARG+ 84 7.692% * 0.0225% (0.25 1.0 0.02 0.02) = 0.022% Peak 574 (1.87, 7.32, 121.07 ppm): 8 chemical-shift based assignments, quality = 0.723, support = 3.5, residual support = 28.6: * O HB3 ARG+ 84 - HN ARG+ 84 12.500% * 99.6230% (0.73 10.0 3.52 28.69) = 99.623% kept HG3 LYS+ 120 - HN ARG+ 84 12.500% * 0.0942% (0.69 1.0 0.02 0.02) = 0.094% HB2 PRO 104 - HN ARG+ 84 12.500% * 0.0888% (0.65 1.0 0.02 0.02) = 0.089% HB3 LYS+ 72 - HN ARG+ 84 12.500% * 0.0832% (0.61 1.0 0.02 0.02) = 0.083% HG2 GLU- 18 - HN ARG+ 84 12.500% * 0.0342% (0.25 1.0 0.02 0.02) = 0.034% HB2 LYS+ 66 - HN ARG+ 84 12.500% * 0.0342% (0.25 1.0 0.02 0.02) = 0.034% HG3 PRO 112 - HN ARG+ 84 12.500% * 0.0212% (0.15 1.0 0.02 0.02) = 0.021% HB3 PRO 59 - HN ARG+ 84 12.500% * 0.0212% (0.15 1.0 0.02 0.02) = 0.021% Peak 575 (1.66, 7.32, 121.07 ppm): 6 chemical-shift based assignments, quality = 0.969, support = 3.72, residual support = 25.5: * HG3 ARG+ 84 - HN ARG+ 84 16.667% * 88.7577% (1.00 4.15 28.69) = 88.758% kept HB3 MET 126 - HN ARG+ 84 16.667% * 6.7732% (0.73 0.44 0.02) = 6.773% kept HB3 ARG+ 22 - HN ARG+ 84 16.667% * 3.9131% (0.87 0.21 0.02) = 3.913% kept HB3 MET 97 - HN ARG+ 84 16.667% * 0.3947% (0.92 0.02 0.02) = 0.395% HD3 LYS+ 55 - HN ARG+ 84 16.667% * 0.0952% (0.22 0.02 0.02) = 0.095% HG LEU 23 - HN ARG+ 84 16.667% * 0.0660% (0.15 0.02 1.01) = 0.066% Peak 576 (4.65, 7.32, 121.07 ppm): 4 chemical-shift based assignments, quality = 0.338, support = 2.79, residual support = 11.0: * O HA TYR 83 - HN ARG+ 84 25.000% * 99.2145% (0.34 10.0 2.81 11.04) = 99.215% kept HA LYS+ 20 - HN ARG+ 84 25.000% * 0.2902% (1.00 1.0 0.02 0.02) = 0.290% HA LYS+ 120 - HN ARG+ 84 25.000% * 0.2523% (0.87 1.0 0.02 0.02) = 0.252% HA ASP- 36 - HN ARG+ 84 25.000% * 0.2429% (0.83 1.0 0.02 0.02) = 0.243% Peak 577 (3.68, 7.32, 121.07 ppm): 4 chemical-shift based assignments, quality = 0.986, support = 0.518, residual support = 0.571: HA ILE 48 - HN ARG+ 84 25.000% * 84.7085% (1.00 0.60 0.64) = 84.709% kept HD2 PRO 52 - HN ARG+ 84 25.000% * 9.6908% (0.90 0.08 0.02) = 9.691% kept HA SER 27 - HN ARG+ 84 25.000% * 2.8003% (0.99 0.02 0.02) = 2.800% kept * HA LYS+ 81 - HN ARG+ 84 25.000% * 2.8003% (0.99 0.02 0.85) = 2.800% kept Peak 578 (8.41, 8.42, 120.82 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 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): 14 chemical-shift based assignments, quality = 0.985, support = 2.87, residual support = 7.92: O HA SER 85 - HN SER 85 7.143% * 50.3112% (1.00 10.0 2.86 7.23) = 50.311% kept * O HA ARG+ 84 - HN SER 85 7.143% * 49.3150% (0.98 10.0 2.91 8.68) = 49.315% kept HA PRO 52 - HN SER 85 7.143% * 0.0503% (1.00 1.0 0.02 0.02) = 0.050% HD3 PRO 59 - HN SER 85 7.143% * 0.0503% (1.00 1.0 0.02 0.02) = 0.050% HA ALA 91 - HN SER 85 7.143% * 0.0502% (1.00 1.0 0.02 0.02) = 0.050% HA VAL 65 - HN SER 85 7.143% * 0.0499% (0.99 1.0 0.02 0.02) = 0.050% HA GLU- 75 - HN SER 85 7.143% * 0.0384% (0.76 1.0 0.02 0.02) = 0.038% HA THR 106 - HN SER 85 7.143% * 0.0346% (0.69 1.0 0.02 0.02) = 0.035% HA GLU- 56 - HN SER 85 7.143% * 0.0265% (0.53 1.0 0.02 0.02) = 0.026% HA LEU 90 - HN SER 85 7.143% * 0.0265% (0.53 1.0 0.02 0.02) = 0.026% HA2 GLY 114 - HN SER 85 7.143% * 0.0207% (0.41 1.0 0.02 0.02) = 0.021% HA LYS+ 108 - HN SER 85 7.143% * 0.0100% (0.20 1.0 0.02 0.02) = 0.010% HA PRO 59 - HN SER 85 7.143% * 0.0088% (0.17 1.0 0.02 0.02) = 0.009% HA PRO 104 - HN SER 85 7.143% * 0.0078% (0.15 1.0 0.02 0.02) = 0.008% Peak 584 (3.85, 8.63, 120.72 ppm): 9 chemical-shift based assignments, quality = 0.499, support = 2.12, residual support = 5.89: * O HB2 SER 85 - HN SER 85 11.111% * 73.5047% (0.34 10.0 2.16 7.23) = 73.505% kept HD3 PRO 86 - HN SER 85 11.111% * 23.7762% (1.00 1.0 2.21 2.44) = 23.776% kept HA ILE 48 - HN SER 85 11.111% * 2.1645% (0.50 1.0 0.40 0.02) = 2.165% kept HB3 SER 88 - HN SER 85 11.111% * 0.1647% (0.76 1.0 0.02 0.02) = 0.165% HA VAL 87 - HN SER 85 11.111% * 0.1394% (0.65 1.0 0.02 0.02) = 0.139% HA LYS+ 44 - HN SER 85 11.111% * 0.1241% (0.58 1.0 0.02 0.02) = 0.124% HA2 GLY 92 - HN SER 85 11.111% * 0.0599% (0.28 1.0 0.02 0.02) = 0.060% HA VAL 125 - HN SER 85 11.111% * 0.0332% (0.15 1.0 0.02 0.02) = 0.033% HD3 PRO 116 - HN SER 85 11.111% * 0.0332% (0.15 1.0 0.02 0.02) = 0.033% Peak 585 (4.84, 8.63, 120.72 ppm): 3 chemical-shift based assignments, quality = 0.562, support = 0.788, residual support = 0.111: HA MET 97 - HN SER 85 33.333% * 61.8102% (0.69 0.93 0.02) = 61.810% kept HA THR 96 - HN SER 85 33.333% * 20.2257% (0.41 0.51 0.47) = 20.226% kept HA GLU- 107 - HN SER 85 33.333% * 17.9641% (0.31 0.60 0.02) = 17.964% kept Peak 586 (4.04, 8.63, 120.72 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 2.16, residual support = 7.21: * O HB3 SER 85 - HN SER 85 20.000% * 99.7871% (1.00 10.0 2.16 7.23) = 99.787% kept HA LYS+ 44 - HN SER 85 20.000% * 0.0898% (0.90 1.0 0.02 0.02) = 0.090% HB3 SER 77 - HN SER 85 20.000% * 0.0506% (0.51 1.0 0.02 0.02) = 0.051% HB2 SER 49 - HN SER 85 20.000% * 0.0447% (0.45 1.0 0.02 0.02) = 0.045% HB THR 38 - HN SER 85 20.000% * 0.0277% (0.28 1.0 0.02 0.02) = 0.028% Peak 587 (1.75, 8.63, 120.72 ppm): 6 chemical-shift based assignments, quality = 0.855, support = 2.96, residual support = 7.47: * HB2 ARG+ 84 - HN SER 85 16.667% * 84.7982% (0.87 3.42 8.68) = 84.798% kept HB VAL 94 - HN SER 85 16.667% * 11.6540% (0.94 0.43 0.90) = 11.654% kept HB3 GLU- 18 - HN SER 85 16.667% * 2.9963% (0.34 0.31 0.02) = 2.996% kept HB3 GLU- 50 - HN SER 85 16.667% * 0.2787% (0.49 0.02 0.02) = 0.279% HB3 ARG+ 53 - HN SER 85 16.667% * 0.1953% (0.34 0.02 0.02) = 0.195% HB ILE 48 - HN SER 85 16.667% * 0.0775% (0.14 0.02 0.02) = 0.077% Peak 588 (1.89, 8.63, 120.72 ppm): 8 chemical-shift based assignments, quality = 0.743, support = 2.76, residual support = 7.93: * HB3 ARG+ 84 - HN SER 85 12.500% * 91.2932% (0.76 3.02 8.68) = 91.293% kept HG3 LYS+ 120 - HN SER 85 12.500% * 3.4704% (0.80 0.11 0.02) = 3.470% kept HB3 MET 118 - HN SER 85 12.500% * 2.8037% (0.65 0.11 0.02) = 2.804% kept HG2 GLU- 18 - HN SER 85 12.500% * 0.7850% (0.99 0.02 0.02) = 0.785% HB3 CYS 123 - HN SER 85 12.500% * 0.6870% (0.87 0.02 0.02) = 0.687% HB3 GLU- 54 - HN SER 85 12.500% * 0.3855% (0.49 0.02 0.02) = 0.386% HB3 GLN 102 - HN SER 85 12.500% * 0.3551% (0.45 0.02 0.02) = 0.355% HD3 LYS+ 63 - HN SER 85 12.500% * 0.2202% (0.28 0.02 0.02) = 0.220% Peak 589 (4.70, 8.63, 120.72 ppm): 6 chemical-shift based assignments, quality = 0.49, support = 0.659, residual support = 0.152: HA2 GLY 30 - HN SER 85 16.667% * 58.3818% (0.69 0.44 0.02) = 58.382% kept HA TYR 83 - HN SER 85 16.667% * 34.2800% (0.15 1.16 0.41) = 34.280% kept HA THR 61 - HN SER 85 16.667% * 2.3219% (0.61 0.02 0.02) = 2.322% kept HA ASN 119 - HN SER 85 16.667% * 1.8634% (0.49 0.02 0.02) = 1.863% kept HA ASN 89 - HN SER 85 16.667% * 1.7163% (0.45 0.02 0.02) = 1.716% kept HA PRO 31 - HN SER 85 16.667% * 1.4367% (0.37 0.02 0.02) = 1.437% kept Peak 590 (1.58, 7.98, 120.59 ppm): 10 chemical-shift based assignments, quality = 0.582, support = 0.855, residual support = 0.209: HD3 LYS+ 60 - HN LEU 43 10.000% * 53.3510% (0.56 1.35 0.30) = 53.351% kept HB3 LYS+ 32 - HN LEU 43 10.000% * 16.2930% (0.94 0.25 0.02) = 16.293% kept HG3 LYS+ 60 - HN LEU 43 10.000% * 13.2973% (0.72 0.26 0.30) = 13.297% kept HG3 LYS+ 110 - HN LEU 43 10.000% * 7.2171% (0.25 0.42 0.02) = 7.217% kept HG2 LYS+ 110 - HN LEU 43 10.000% * 6.5102% (0.22 0.42 0.02) = 6.510% kept HB ILE 19 - HN LEU 43 10.000% * 0.9560% (0.68 0.02 0.02) = 0.956% HG LEU 17 - HN LEU 43 10.000% * 0.9003% (0.64 0.02 0.02) = 0.900% HD3 LYS+ 32 - HN LEU 43 10.000% * 0.6774% (0.48 0.02 0.02) = 0.677% HB3 LEU 17 - HN LEU 43 10.000% * 0.5223% (0.37 0.02 0.02) = 0.522% HB3 LEU 90 - HN LEU 43 10.000% * 0.2754% (0.20 0.02 0.02) = 0.275% Peak 591 (-0.12, 7.97, 120.59 ppm): 1 chemical-shift based assignment, quality = 0.606, support = 5.01, residual support = 46.4: * QD1 LEU 43 - HN LEU 43 100.000% *100.0000% (0.61 5.01 46.35) = 100.000% kept Peak 592 (2.09, 7.97, 120.59 ppm): 12 chemical-shift based assignments, quality = 0.716, support = 5.23, residual support = 46.0: * O HB2 LEU 43 - HN LEU 43 8.333% * 62.5779% (0.85 10.0 5.39 46.35) = 62.578% kept O HB3 LEU 43 - HN LEU 43 8.333% * 36.7111% (0.50 10.0 5.05 46.35) = 36.711% kept HB3 GLU- 75 - HN LEU 43 8.333% * 0.3172% (0.88 1.0 0.10 0.02) = 0.317% HB VAL 125 - HN LEU 43 8.333% * 0.0636% (0.87 1.0 0.02 0.02) = 0.064% HB VAL 87 - HN LEU 43 8.333% * 0.0626% (0.85 1.0 0.02 0.02) = 0.063% HB VAL 65 - HN LEU 43 8.333% * 0.0613% (0.83 1.0 0.02 0.02) = 0.061% HB2 LYS+ 110 - HN LEU 43 8.333% * 0.0599% (0.81 1.0 0.02 0.02) = 0.060% HD3 LYS+ 110 - HN LEU 43 8.333% * 0.0562% (0.77 1.0 0.02 0.02) = 0.056% HG3 GLU- 56 - HN LEU 43 8.333% * 0.0341% (0.46 1.0 0.02 0.02) = 0.034% HB3 LYS+ 120 - HN LEU 43 8.333% * 0.0316% (0.43 1.0 0.02 0.02) = 0.032% HG3 ARG+ 53 - HN LEU 43 8.333% * 0.0128% (0.17 1.0 0.02 0.02) = 0.013% HA1 GLY 58 - HN LEU 43 8.333% * 0.0117% (0.16 1.0 0.02 0.21) = 0.012% Peak 593 (1.43, 7.97, 120.59 ppm): 10 chemical-shift based assignments, quality = 0.496, support = 1.66, residual support = 4.24: HD3 LYS+ 44 - HN LEU 43 10.000% * 26.1323% (0.64 1.68 6.50) = 26.132% kept HG LEU 74 - HN LEU 43 10.000% * 18.3606% (0.31 2.46 6.55) = 18.361% kept HB3 LYS+ 60 - HN LEU 43 10.000% * 15.7216% (0.87 0.75 0.30) = 15.722% kept QG2 THR 38 - HN LEU 43 10.000% * 13.9848% (0.27 2.11 3.96) = 13.985% kept * QB ALA 42 - HN LEU 43 10.000% * 12.5014% (0.22 2.33 5.91) = 12.501% kept HG LEU 90 - HN LEU 43 10.000% * 6.6502% (0.83 0.33 0.02) = 6.650% kept QB ALA 37 - HN LEU 43 10.000% * 5.5016% (0.27 0.83 0.02) = 5.502% kept HG3 LYS+ 55 - HN LEU 43 10.000% * 0.4211% (0.87 0.02 0.02) = 0.421% HD3 LYS+ 113 - HN LEU 43 10.000% * 0.4146% (0.85 0.02 0.02) = 0.415% HG3 LYS+ 108 - HN LEU 43 10.000% * 0.3119% (0.64 0.02 0.02) = 0.312% Peak 594 (3.70, 7.97, 120.59 ppm): 4 chemical-shift based assignments, quality = 0.853, support = 1.5, residual support = 2.06: HA ILE 48 - HN LEU 43 25.000% * 96.3481% (0.88 1.55 2.14) = 96.348% kept HA SER 27 - HN LEU 43 25.000% * 2.2880% (0.27 0.12 0.02) = 2.288% kept HD2 PRO 52 - HN LEU 43 25.000% * 0.8056% (0.57 0.02 0.02) = 0.806% HA LYS+ 81 - HN LEU 43 25.000% * 0.5583% (0.40 0.02 0.02) = 0.558% Peak 595 (3.43, 7.97, 120.59 ppm): 6 chemical-shift based assignments, quality = 0.696, support = 0.788, residual support = 0.597: HA VAL 62 - HN LEU 43 16.667% * 44.6706% (0.79 1.01 0.62) = 44.671% kept HB2 SER 69 - HN LEU 43 16.667% * 18.7095% (0.87 0.39 0.11) = 18.709% kept HA ILE 48 - HN LEU 43 16.667% * 13.7603% (0.16 1.55 2.14) = 13.760% kept HA THR 39 - HN LEU 43 16.667% * 10.7879% (0.77 0.25 0.02) = 10.788% kept HB THR 79 - HN LEU 43 16.667% * 6.2988% (0.87 0.13 0.02) = 6.299% kept HA VAL 80 - HN LEU 43 16.667% * 5.7730% (0.36 0.28 0.02) = 5.773% kept Peak 596 (0.47, 7.97, 120.59 ppm): 3 chemical-shift based assignments, quality = 0.79, support = 3.49, residual support = 40.1: * QD2 LEU 43 - HN LEU 43 33.333% * 82.7401% (0.88 3.99 46.35) = 82.740% kept QD2 LEU 74 - HN LEU 43 33.333% * 10.2410% (0.33 1.32 6.55) = 10.241% kept QG2 ILE 68 - HN LEU 43 33.333% * 7.0189% (0.36 0.82 15.89) = 7.019% kept Peak 597 (7.74, 7.97, 120.59 ppm): 4 chemical-shift based assignments, quality = 0.67, support = 2.81, residual support = 5.78: * T HN ALA 42 - HN LEU 43 25.000% * 97.6552% (0.67 10.00 2.86 5.91) = 97.655% kept HN ALA 37 - HN LEU 43 25.000% * 2.1898% (0.54 1.00 0.57 0.02) = 2.190% kept HN VAL 125 - HN LEU 43 25.000% * 0.0827% (0.57 1.00 0.02 0.02) = 0.083% HN SER 124 - HN LEU 43 25.000% * 0.0723% (0.50 1.00 0.02 0.02) = 0.072% 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): 12 chemical-shift based assignments, quality = 0.238, support = 0.245, residual support = 0.17: HB3 MET 118 - HN ASN 89 8.333% * 66.7443% (0.27 0.34 0.24) = 66.744% kept HG3 LYS+ 120 - HN ASN 89 8.333% * 8.2805% (0.08 0.15 0.02) = 8.280% kept HB3 GLU- 54 - HN ASN 89 8.333% * 3.7709% (0.26 0.02 0.02) = 3.771% kept HB3 GLN 102 - HN ASN 89 8.333% * 3.6962% (0.26 0.02 0.02) = 3.696% kept HB3 CYS 123 - HN ASN 89 8.333% * 3.6070% (0.25 0.02 0.02) = 3.607% kept HD3 LYS+ 63 - HN ASN 89 8.333% * 3.1288% (0.22 0.02 0.02) = 3.129% kept HG2 GLU- 18 - HN ASN 89 8.333% * 2.8373% (0.20 0.02 0.02) = 2.837% kept HB3 GLU- 56 - HN ASN 89 8.333% * 2.2122% (0.15 0.02 0.02) = 2.212% kept HB2 LEU 23 - HN ASN 89 8.333% * 2.0558% (0.14 0.02 0.02) = 2.056% kept HB3 PRO 35 - HN ASN 89 8.333% * 1.6064% (0.11 0.02 0.02) = 1.606% kept HB ILE 29 - HN ASN 89 8.333% * 1.0864% (0.08 0.02 0.02) = 1.086% kept HB3 ARG+ 84 - HN ASN 89 8.333% * 0.9743% (0.07 0.02 0.02) = 0.974% Reference assignment not found: HB3 MET 118 - HN MET 118 Not enough support, support cutoff is 0.25 Peak unassigned. Peak 610 (4.22, 8.24, 120.21 ppm): 12 chemical-shift based assignments, quality = 0.133, support = 0.42, residual support = 0.23: HA LYS+ 110 - HN ASN 89 8.333% * 48.1367% (0.15 0.46 0.22) = 48.137% kept HA GLU- 109 - HN ASN 89 8.333% * 40.5765% (0.12 0.48 0.30) = 40.576% kept HB3 SER 49 - HN ASN 89 8.333% * 2.0979% (0.15 0.02 0.02) = 2.098% kept HA ALA 42 - HN ASN 89 8.333% * 2.0610% (0.15 0.02 0.02) = 2.061% kept HA GLU- 18 - HN ASN 89 8.333% * 1.5268% (0.11 0.02 0.02) = 1.527% kept HA SER 49 - HN ASN 89 8.333% * 1.4443% (0.10 0.02 0.02) = 1.444% kept HA GLU- 54 - HN ASN 89 8.333% * 1.2753% (0.09 0.02 0.02) = 1.275% kept HA ASP- 82 - HN ASN 89 8.333% * 1.1062% (0.08 0.02 0.02) = 1.106% kept HA GLU- 64 - HN ASN 89 8.333% * 0.5846% (0.04 0.02 0.02) = 0.585% HA PRO 59 - HN ASN 89 8.333% * 0.4161% (0.03 0.02 0.02) = 0.416% HA LYS+ 44 - HN ASN 89 8.333% * 0.4063% (0.03 0.02 0.02) = 0.406% HA LYS+ 108 - HN ASN 89 8.333% * 0.3682% (0.03 0.02 0.02) = 0.368% Reference assignment not found: HA ASN 89 - HN ASN 89 Not enough quality. Peak unassigned. Peak 611 (8.24, 8.25, 120.21 ppm): 8 chemical-shift based assignments, quality = 0.199, support = 0.592, residual support = 0.518: T HN ASP- 115 - HN ASN 89 12.500% * 91.9474% (0.20 10.00 0.64 0.56) = 91.947% kept T HN LYS+ 81 - HN ASN 89 12.500% * 3.7291% (0.26 10.00 0.02 0.02) = 3.729% kept T HN THR 106 - HN ASN 89 12.500% * 3.1566% (0.22 10.00 0.02 0.02) = 3.157% kept HN LEU 67 - HN ASN 89 12.500% * 0.3729% (0.26 1.00 0.02 0.02) = 0.373% HN GLY 58 - HN ASN 89 12.500% * 0.3420% (0.24 1.00 0.02 0.02) = 0.342% HN SER 49 - HN ASN 89 12.500% * 0.2863% (0.20 1.00 0.02 0.02) = 0.286% HN VAL 94 - HN ASN 89 12.500% * 0.0878% (0.06 1.00 0.02 0.02) = 0.088% HN VAL 105 - HN ASN 89 12.500% * 0.0780% (0.05 1.00 0.02 0.02) = 0.078% Reference assignment not found: HN MET 118 - HN MET 118 Not enough quality. Peak unassigned. Peak 612 (1.34, 8.24, 120.21 ppm): 7 chemical-shift based assignments, quality = 0.107, support = 0.269, residual support = 0.0198: HB2 LEU 17 - HN ASN 89 14.286% * 43.4295% (0.15 0.24 0.02) = 43.430% kept HG LEU 74 - HN ASN 89 14.286% * 38.8097% (0.09 0.34 0.02) = 38.810% kept QB ALA 91 - HN ASN 89 14.286% * 12.4119% (0.04 0.24 0.02) = 12.412% kept HG13 ILE 19 - HN ASN 89 14.286% * 1.8134% (0.07 0.02 0.02) = 1.813% kept HG3 ARG+ 22 - HN ASN 89 14.286% * 1.6703% (0.07 0.02 0.02) = 1.670% kept * QB ALA 103 - HN ASN 89 14.286% * 1.0358% (0.04 0.02 0.02) = 1.036% kept HB3 LYS+ 20 - HN ASN 89 14.286% * 0.8294% (0.03 0.02 0.02) = 0.829% Not enough quality. Peak unassigned. Peak 613 (2.20, 8.25, 120.21 ppm): 16 chemical-shift based assignments, quality = 0.195, support = 0.294, residual support = 0.207: HB2 LYS+ 113 - HN ASN 89 6.250% * 41.8601% (0.27 0.37 0.25) = 41.860% kept HG3 GLU- 109 - HN ASN 89 6.250% * 22.3970% (0.18 0.30 0.30) = 22.397% kept HG3 MET 118 - HN ASN 89 6.250% * 12.9896% (0.08 0.37 0.24) = 12.990% kept HA1 GLY 58 - HN ASN 89 6.250% * 8.9006% (0.09 0.24 0.02) = 8.901% kept HG3 GLU- 54 - HN ASN 89 6.250% * 2.2261% (0.27 0.02 0.02) = 2.226% kept HG2 MET 126 - HN ASN 89 6.250% * 2.0965% (0.25 0.02 0.02) = 2.096% kept HG3 MET 126 - HN ASN 89 6.250% * 1.6492% (0.20 0.02 0.02) = 1.649% kept HB VAL 99 - HN ASN 89 6.250% * 1.6492% (0.20 0.02 0.02) = 1.649% kept HB2 GLU- 50 - HN ASN 89 6.250% * 1.1949% (0.14 0.02 0.02) = 1.195% kept HG3 GLU- 107 - HN ASN 89 6.250% * 1.1055% (0.13 0.02 0.02) = 1.105% kept HG3 GLU- 18 - HN ASN 89 6.250% * 1.0182% (0.12 0.02 0.02) = 1.018% kept HB3 PRO 104 - HN ASN 89 6.250% * 0.9337% (0.11 0.02 0.02) = 0.934% HB2 ASP- 82 - HN ASN 89 6.250% * 0.5663% (0.07 0.02 0.02) = 0.566% HB3 PRO 52 - HN ASN 89 6.250% * 0.5056% (0.06 0.02 0.02) = 0.506% HG2 GLN 102 - HN ASN 89 6.250% * 0.5056% (0.06 0.02 0.02) = 0.506% HB3 GLU- 75 - HN ASN 89 6.250% * 0.4021% (0.05 0.02 0.02) = 0.402% Reference assignment not found: HG3 MET 118 - HN MET 118 Not enough quality. Peak unassigned. Peak 614 (7.71, 8.24, 120.21 ppm): 1 chemical-shift based assignment, quality = 0.057, support = 0.02, residual support = 0.02: HN ALA 42 - HN ASN 89 100.000% *100.0000% (0.06 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.25 Peak unassigned. 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 = 0.687, support = 0.238, residual support = 0.236: HN MET 118 - HN ASN 89 33.333% * 93.3789% (0.71 0.25 0.24) = 93.379% kept HN CYS 121 - HN ASN 89 33.333% * 3.3105% (0.32 0.02 0.02) = 3.311% kept HN LYS+ 110 - HN ASN 89 33.333% * 3.3105% (0.32 0.02 0.22) = 3.311% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 626 (0.95, 8.74, 120.07 ppm): 10 chemical-shift based assignments, quality = 0.712, support = 2.85, residual support = 22.4: * QG2 VAL 62 - HN VAL 62 10.000% * 50.5208% (0.77 3.73 31.97) = 50.521% kept HG3 LYS+ 63 - HN VAL 62 10.000% * 26.4137% (0.77 1.97 21.65) = 26.414% kept HG LEU 74 - HN VAL 62 10.000% * 20.5127% (0.54 2.17 2.56) = 20.513% kept QG2 VAL 99 - HN VAL 62 10.000% * 1.2691% (0.65 0.11 0.02) = 1.269% kept HG12 ILE 68 - HN VAL 62 10.000% * 0.2735% (0.78 0.02 0.02) = 0.274% QG2 ILE 29 - HN VAL 62 10.000% * 0.2735% (0.78 0.02 0.02) = 0.274% HG12 ILE 29 - HN VAL 62 10.000% * 0.2681% (0.77 0.02 0.02) = 0.268% QG1 VAL 105 - HN VAL 62 10.000% * 0.2090% (0.60 0.02 0.02) = 0.209% QD1 LEU 17 - HN VAL 62 10.000% * 0.1986% (0.57 0.02 0.02) = 0.199% QG2 VAL 73 - HN VAL 62 10.000% * 0.0609% (0.17 0.02 0.15) = 0.061% 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): 9 chemical-shift based assignments, quality = 0.543, support = 2.77, residual support = 6.95: * HB THR 61 - HN VAL 62 11.111% * 51.8997% (0.54 4.24 13.30) = 51.900% kept HA1 GLY 26 - HN VAL 62 11.111% * 15.4116% (0.78 0.87 0.02) = 15.412% kept HA LYS+ 60 - HN VAL 62 11.111% * 15.3360% (0.29 2.30 0.25) = 15.336% kept HA2 GLY 26 - HN VAL 62 11.111% * 7.4171% (0.63 0.52 0.02) = 7.417% kept HA LYS+ 117 - HN VAL 62 11.111% * 5.2004% (0.70 0.33 0.02) = 5.200% kept HA THR 38 - HN VAL 62 11.111% * 4.3104% (0.38 0.50 0.02) = 4.310% kept HA VAL 94 - HN VAL 62 11.111% * 0.2160% (0.47 0.02 0.02) = 0.216% HA ALA 37 - HN VAL 62 11.111% * 0.1099% (0.24 0.02 0.02) = 0.110% HA ASN 57 - HN VAL 62 11.111% * 0.0990% (0.22 0.02 0.02) = 0.099% Peak 629 (2.05, 8.74, 120.07 ppm): 13 chemical-shift based assignments, quality = 0.747, support = 3.67, residual support = 31.7: * O HB VAL 62 - HN VAL 62 7.692% * 99.1215% (0.75 10.0 3.70 31.97) = 99.121% kept HB3 LYS+ 110 - HN VAL 62 7.692% * 0.3451% (0.63 1.0 0.08 0.02) = 0.345% HB2 GLU- 45 - HN VAL 62 7.692% * 0.1007% (0.77 1.0 0.02 0.34) = 0.101% HG3 PRO 86 - HN VAL 62 7.692% * 0.0991% (0.75 1.0 0.02 0.02) = 0.099% HB3 GLU- 75 - HN VAL 62 7.692% * 0.0714% (0.54 1.0 0.02 0.02) = 0.071% HB3 GLU- 107 - HN VAL 62 7.692% * 0.0664% (0.51 1.0 0.02 0.02) = 0.066% HB3 GLU- 45 - HN VAL 62 7.692% * 0.0500% (0.38 1.0 0.02 0.34) = 0.050% HG3 ARG+ 53 - HN VAL 62 7.692% * 0.0385% (0.29 1.0 0.02 0.02) = 0.039% HB3 PRO 31 - HN VAL 62 7.692% * 0.0286% (0.22 1.0 0.02 0.02) = 0.029% HB2 LYS+ 44 - HN VAL 62 7.692% * 0.0286% (0.22 1.0 0.02 1.00) = 0.029% HB2 PRO 112 - HN VAL 62 7.692% * 0.0203% (0.15 1.0 0.02 0.02) = 0.020% HB3 PRO 112 - HN VAL 62 7.692% * 0.0158% (0.12 1.0 0.02 0.02) = 0.016% HG2 PRO 116 - HN VAL 62 7.692% * 0.0139% (0.11 1.0 0.02 0.02) = 0.014% Peak 630 (4.69, 8.74, 120.07 ppm): 7 chemical-shift based assignments, quality = 0.772, support = 2.71, residual support = 13.3: * O HA THR 61 - HN VAL 62 14.286% * 99.7035% (0.77 10.0 2.71 13.30) = 99.704% kept HA ASN 119 - HN VAL 62 14.286% * 0.0952% (0.74 1.0 0.02 0.02) = 0.095% HA ASN 89 - HN VAL 62 14.286% * 0.0929% (0.72 1.0 0.02 0.02) = 0.093% HA TYR 83 - HN VAL 62 14.286% * 0.0570% (0.44 1.0 0.02 0.14) = 0.057% HA2 GLY 30 - HN VAL 62 14.286% * 0.0224% (0.17 1.0 0.02 0.02) = 0.022% HA ASP- 36 - HN VAL 62 14.286% * 0.0155% (0.12 1.0 0.02 0.02) = 0.016% HA LYS+ 120 - HN VAL 62 14.286% * 0.0136% (0.11 1.0 0.02 0.02) = 0.014% Peak 631 (7.82, 8.74, 120.07 ppm): 3 chemical-shift based assignments, quality = 0.733, support = 5.3, residual support = 21.5: * T HN LYS+ 63 - HN VAL 62 33.333% * 99.2436% (0.74 10.00 5.34 21.65) = 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): 8 chemical-shift based assignments, quality = 0.746, support = 3.32, residual support = 8.79: * QG2 THR 61 - HN VAL 62 12.500% * 59.8844% (0.78 4.33 13.30) = 59.884% kept HG LEU 74 - HN VAL 62 12.500% * 29.9546% (0.78 2.17 2.56) = 29.955% kept QG2 THR 96 - HN VAL 62 12.500% * 8.2393% (0.54 0.86 0.71) = 8.239% kept QG2 THR 95 - HN VAL 62 12.500% * 1.3332% (0.17 0.43 0.02) = 1.333% kept QB ALA 33 - HN VAL 62 12.500% * 0.2398% (0.17 0.08 0.02) = 0.240% QG2 THR 79 - HN VAL 62 12.500% * 0.2014% (0.57 0.02 0.02) = 0.201% HD3 LYS+ 111 - HN VAL 62 12.500% * 0.0856% (0.24 0.02 0.02) = 0.086% HG3 LYS+ 32 - HN VAL 62 12.500% * 0.0618% (0.17 0.02 0.02) = 0.062% Peak 633 (3.43, 8.74, 120.07 ppm): 6 chemical-shift based assignments, quality = 0.627, support = 3.62, residual support = 31.0: * O HA VAL 62 - HN VAL 62 16.667% * 96.8545% (0.63 10.0 3.72 31.97) = 96.854% kept HA THR 39 - HN VAL 62 16.667% * 2.8457% (0.74 1.0 0.50 0.02) = 2.846% kept HB2 SER 69 - HN VAL 62 16.667% * 0.1210% (0.78 1.0 0.02 0.02) = 0.121% HB THR 79 - HN VAL 62 16.667% * 0.1207% (0.78 1.0 0.02 0.02) = 0.121% HA VAL 80 - HN VAL 62 16.667% * 0.0373% (0.24 1.0 0.02 0.52) = 0.037% HA ILE 48 - HN VAL 62 16.667% * 0.0208% (0.13 1.0 0.02 10.85) = 0.021% Peak 634 (8.42, 8.43, 120.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 635 (8.02, 8.43, 120.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 636 (2.76, 8.43, 120.11 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 637 (2.79, 8.28, 120.11 ppm): 7 chemical-shift based assignments, quality = 0.921, support = 2.26, residual support = 5.79: * O HB3 ASN 89 - HN ASN 89 14.286% * 98.1058% (0.93 10.0 2.30 5.90) = 98.106% kept HA1 GLY 58 - HN ASN 89 14.286% * 1.0973% (0.87 1.0 0.24 0.02) = 1.097% kept HB2 ASN 119 - HN ASN 89 14.286% * 0.5299% (0.93 1.0 0.11 0.02) = 0.530% HB3 ASN 57 - HN ASN 89 14.286% * 0.0981% (0.93 1.0 0.02 0.02) = 0.098% HA2 GLY 58 - HN ASN 89 14.286% * 0.0712% (0.67 1.0 0.02 0.02) = 0.071% HE3 LYS+ 32 - HN ASN 89 14.286% * 0.0587% (0.56 1.0 0.02 0.02) = 0.059% HE3 LYS+ 111 - HN ASN 89 14.286% * 0.0389% (0.37 1.0 0.02 0.02) = 0.039% Peak 639 (8.41, 8.42, 119.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 640 (1.79, 8.42, 119.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 641 (4.39, 8.42, 119.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 642 (4.79, 8.42, 119.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 643 (4.69, 8.42, 119.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 644 (4.21, 8.42, 119.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 645 (3.83, 8.42, 119.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 646 (8.12, 8.42, 119.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 649 (8.06, 8.06, 119.92 ppm): 1 diagonal assignment: HN MET 118 - HN MET 118 (0.95) kept Peak 654 (8.14, 8.14, 119.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 655 (0.92, 8.14, 119.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 656 (0.89, 8.59, 119.88 ppm): 14 chemical-shift based assignments, quality = 0.86, support = 1.77, residual support = 8.11: * QG1 VAL 80 - HN VAL 80 7.143% * 69.1841% (0.98 2.36 11.62) = 69.184% kept HG LEU 74 - HN VAL 80 7.143% * 13.2569% (0.52 0.85 0.56) = 13.257% kept QG1 VAL 47 - HN VAL 80 7.143% * 6.7813% (0.75 0.30 0.02) = 6.781% kept QG1 VAL 122 - HN VAL 80 7.143% * 3.4232% (0.95 0.12 0.02) = 3.423% kept QG1 VAL 40 - HN VAL 80 7.143% * 2.6034% (0.78 0.11 0.02) = 2.603% kept QG2 VAL 122 - HN VAL 80 7.143% * 1.8662% (0.52 0.12 0.02) = 1.866% kept QG2 VAL 47 - HN VAL 80 7.143% * 0.5091% (0.85 0.02 0.02) = 0.509% QG2 VAL 125 - HN VAL 80 7.143% * 0.4902% (0.82 0.02 0.02) = 0.490% QG2 VAL 105 - HN VAL 80 7.143% * 0.4699% (0.78 0.02 0.02) = 0.470% QD1 LEU 67 - HN VAL 80 7.143% * 0.4031% (0.67 0.02 0.02) = 0.403% QG2 VAL 87 - HN VAL 80 7.143% * 0.3797% (0.63 0.02 0.02) = 0.380% HG13 ILE 68 - HN VAL 80 7.143% * 0.3560% (0.59 0.02 0.02) = 0.356% QG2 ILE 100 - HN VAL 80 7.143% * 0.1463% (0.24 0.02 0.02) = 0.146% QD1 LEU 90 - HN VAL 80 7.143% * 0.1307% (0.22 0.02 0.02) = 0.131% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 659 (2.25, 8.59, 119.88 ppm): 7 chemical-shift based assignments, quality = 0.968, support = 2.74, residual support = 11.4: * O HB VAL 80 - HN VAL 80 14.286% * 98.5005% (0.97 10.0 2.78 11.62) = 98.501% kept HG2 GLU- 56 - HN VAL 80 14.286% * 1.3280% (0.85 1.0 0.31 0.02) = 1.328% kept HG3 GLU- 75 - HN VAL 80 14.286% * 0.0563% (0.55 1.0 0.02 0.02) = 0.056% HA1 GLY 58 - HN VAL 80 14.286% * 0.0412% (0.41 1.0 0.02 0.02) = 0.041% HB3 PRO 52 - HN VAL 80 14.286% * 0.0339% (0.33 1.0 0.02 0.02) = 0.034% HG3 MET 118 - HN VAL 80 14.286% * 0.0248% (0.24 1.0 0.02 0.02) = 0.025% HG3 GLU- 18 - HN VAL 80 14.286% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% Peak 660 (4.49, 8.59, 119.88 ppm): 7 chemical-shift based assignments, quality = 0.877, support = 0.507, residual support = 0.0854: HA ASN 76 - HN VAL 80 14.286% * 39.3491% (0.95 0.68 0.19) = 39.349% kept HA LYS+ 55 - HN VAL 80 14.286% * 20.4085% (0.63 0.53 0.02) = 20.408% kept HA CYS 123 - HN VAL 80 14.286% * 19.8068% (0.98 0.33 0.02) = 19.807% kept HA SER 77 - HN VAL 80 14.286% * 19.1895% (0.95 0.33 0.02) = 19.189% kept HB THR 46 - HN VAL 80 14.286% * 0.7716% (0.63 0.02 0.02) = 0.772% HA LYS+ 32 - HN VAL 80 14.286% * 0.2656% (0.22 0.02 0.02) = 0.266% HA PRO 86 - HN VAL 80 14.286% * 0.2089% (0.17 0.02 0.02) = 0.209% Peak 661 (3.43, 8.59, 119.88 ppm): 6 chemical-shift based assignments, quality = 0.483, support = 2.34, residual support = 8.98: O HA VAL 80 - HN VAL 80 16.667% * 74.7389% (0.33 10.0 2.82 11.62) = 74.739% kept * HB THR 79 - HN VAL 80 16.667% * 13.6292% (0.98 1.0 1.24 1.92) = 13.629% kept HA THR 39 - HN VAL 80 16.667% * 7.1751% (0.90 1.0 0.71 0.18) = 7.175% kept HA VAL 62 - HN VAL 80 16.667% * 4.1999% (0.82 1.0 0.46 0.52) = 4.200% kept HB2 SER 69 - HN VAL 80 16.667% * 0.2186% (0.98 1.0 0.02 0.02) = 0.219% HA ILE 48 - HN VAL 80 16.667% * 0.0382% (0.17 1.0 0.02 0.02) = 0.038% Peak 662 (1.09, 8.59, 119.88 ppm): 4 chemical-shift based assignments, quality = 0.893, support = 1.37, residual support = 1.34: * QG2 THR 79 - HN VAL 80 25.000% * 59.2502% (0.93 1.78 1.92) = 59.250% kept HG LEU 74 - HN VAL 80 25.000% * 29.4281% (0.96 0.85 0.56) = 29.428% kept QG2 THR 61 - HN VAL 80 25.000% * 10.7350% (0.55 0.54 0.30) = 10.735% kept QG2 THR 95 - HN VAL 80 25.000% * 0.5868% (0.82 0.02 0.02) = 0.587% Peak 663 (8.24, 8.59, 119.88 ppm): 8 chemical-shift based assignments, quality = 0.944, support = 3.17, residual support = 10.8: * T HN LYS+ 81 - HN VAL 80 12.500% * 98.2340% (0.96 10.00 3.23 11.00) = 98.234% kept T HN THR 106 - HN VAL 80 12.500% * 0.7277% (0.71 10.00 0.02 0.02) = 0.728% HN VAL 94 - HN VAL 80 12.500% * 0.6774% (0.27 1.00 0.49 0.02) = 0.677% HN LEU 67 - HN VAL 80 12.500% * 0.0982% (0.96 1.00 0.02 0.02) = 0.098% HN GLY 58 - HN VAL 80 12.500% * 0.0925% (0.90 1.00 0.02 0.02) = 0.093% HN SER 49 - HN VAL 80 12.500% * 0.0802% (0.78 1.00 0.02 0.02) = 0.080% HN ASP- 115 - HN VAL 80 12.500% * 0.0648% (0.63 1.00 0.02 0.02) = 0.065% HN VAL 105 - HN VAL 80 12.500% * 0.0250% (0.24 1.00 0.02 0.02) = 0.025% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 666 (0.67, 8.80, 119.98 ppm): 6 chemical-shift based assignments, quality = 0.459, support = 0.611, residual support = 0.22: HG12 ILE 19 - HN SER 69 16.667% * 51.7528% (0.51 0.82 0.29) = 51.753% kept QG2 VAL 94 - HN SER 69 16.667% * 22.6771% (0.48 0.38 0.12) = 22.677% kept QD1 ILE 19 - HN SER 69 16.667% * 13.5182% (0.42 0.26 0.29) = 13.518% kept HG LEU 67 - HN SER 69 16.667% * 9.9425% (0.13 0.62 0.02) = 9.943% kept QG1 VAL 62 - HN SER 69 16.667% * 1.8275% (0.75 0.02 0.02) = 1.828% kept HG2 PRO 59 - HN SER 69 16.667% * 0.2820% (0.12 0.02 0.02) = 0.282% Peak 667 (3.70, 8.80, 119.98 ppm): 4 chemical-shift based assignments, quality = 0.727, support = 0.754, residual support = 1.94: HA ILE 48 - HN SER 69 25.000% * 97.4788% (0.74 0.77 1.99) = 97.479% kept HD2 PRO 52 - HN SER 69 25.000% * 1.2355% (0.36 0.02 0.02) = 1.235% kept HA LYS+ 81 - HN SER 69 25.000% * 0.7834% (0.23 0.02 0.02) = 0.783% HA SER 27 - HN SER 69 25.000% * 0.5023% (0.15 0.02 0.02) = 0.502% Peak 668 (0.91, 8.80, 119.98 ppm): 11 chemical-shift based assignments, quality = 0.599, support = 1.76, residual support = 2.05: * HG13 ILE 68 - HN SER 69 9.091% * 48.8377% (0.67 2.54 3.40) = 48.838% kept HG LEU 74 - HN SER 69 9.091% * 21.5758% (0.44 1.69 1.77) = 21.576% kept QG2 VAL 73 - HN SER 69 9.091% * 11.0226% (0.65 0.59 0.02) = 11.023% kept QD1 LEU 67 - HN SER 69 9.091% * 10.6798% (0.62 0.60 0.02) = 10.680% kept QG1 VAL 47 - HN SER 69 9.091% * 6.6797% (0.57 0.41 0.02) = 6.680% kept QG2 VAL 87 - HN SER 69 9.091% * 0.3722% (0.65 0.02 0.02) = 0.372% QG2 VAL 105 - HN SER 69 9.091% * 0.3116% (0.54 0.02 0.02) = 0.312% QD1 LEU 17 - HN SER 69 9.091% * 0.1464% (0.25 0.02 0.02) = 0.146% QG1 VAL 80 - HN SER 69 9.091% * 0.1464% (0.25 0.02 0.02) = 0.146% QG1 VAL 105 - HN SER 69 9.091% * 0.1324% (0.23 0.02 0.02) = 0.132% QG1 VAL 122 - HN SER 69 9.091% * 0.0955% (0.17 0.02 0.02) = 0.096% Peak 669 (7.95, 8.80, 119.98 ppm): 1 chemical-shift based assignment, quality = 0.72, support = 0.426, residual support = 0.792: T HN LYS+ 72 - HN SER 69 100.000% *100.0000% (0.72 10.00 0.43 0.79) = 100.000% kept Peak 670 (3.50, 8.80, 119.98 ppm): 3 chemical-shift based assignments, quality = 0.728, support = 0.977, residual support = 0.926: * O HB3 SER 69 - HN SER 69 33.333% * 91.6425% (0.75 10.0 1.00 0.95) = 91.643% kept HA1 GLY 30 - HN SER 69 33.333% * 5.5933% (0.65 1.0 0.70 0.02) = 5.593% kept HA ILE 48 - HN SER 69 33.333% * 2.7642% (0.29 1.0 0.77 1.99) = 2.764% kept Peak 671 (0.45, 8.80, 119.98 ppm): 3 chemical-shift based assignments, quality = 0.743, support = 1.36, residual support = 2.55: QD2 LEU 74 - HN SER 69 33.333% * 51.7367% (0.74 1.42 1.77) = 51.737% kept * QG2 ILE 68 - HN SER 69 33.333% * 47.9625% (0.75 1.31 3.40) = 47.962% kept QD2 LEU 43 - HN SER 69 33.333% * 0.3008% (0.31 0.02 0.11) = 0.301% 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): 12 chemical-shift based assignments, quality = 0.739, support = 3.5, residual support = 16.4: * O HB3 LYS+ 63 - HN LYS+ 63 8.333% * 93.0858% (0.76 10.0 3.70 17.59) = 93.086% kept HB2 LYS+ 117 - HN LYS+ 63 8.333% * 3.1535% (0.56 1.0 0.91 0.02) = 3.154% kept HB3 LYS+ 117 - HN LYS+ 63 8.333% * 2.7213% (0.48 1.0 0.92 0.02) = 2.721% kept HB3 PRO 116 - HN LYS+ 63 8.333% * 0.4248% (0.92 1.0 0.08 0.02) = 0.425% HB3 GLU- 18 - HN LYS+ 63 8.333% * 0.1152% (0.94 1.0 0.02 0.02) = 0.115% HB3 ARG+ 53 - HN LYS+ 63 8.333% * 0.1152% (0.94 1.0 0.02 0.02) = 0.115% HG2 PRO 31 - HN LYS+ 63 8.333% * 0.1092% (0.89 1.0 0.02 0.02) = 0.109% HB3 LYS+ 113 - HN LYS+ 63 8.333% * 0.0690% (0.56 1.0 0.02 0.02) = 0.069% HB3 LYS+ 108 - HN LYS+ 63 8.333% * 0.0641% (0.52 1.0 0.02 0.02) = 0.064% HB2 ARG+ 84 - HN LYS+ 63 8.333% * 0.0546% (0.45 1.0 0.02 0.02) = 0.055% HB3 LYS+ 44 - HN LYS+ 63 8.333% * 0.0457% (0.37 1.0 0.02 0.02) = 0.046% HB VAL 94 - HN LYS+ 63 8.333% * 0.0415% (0.34 1.0 0.02 0.02) = 0.042% Peak 676 (4.08, 7.83, 119.35 ppm): 6 chemical-shift based assignments, quality = 0.993, support = 3.69, residual support = 17.6: * O HA LYS+ 63 - HN LYS+ 63 16.667% * 99.7697% (1.00 10.0 3.70 17.59) = 99.770% kept HA LYS+ 44 - HN LYS+ 63 16.667% * 0.0781% (0.78 1.0 0.02 0.02) = 0.078% HB2 SER 49 - HN LYS+ 63 16.667% * 0.0724% (0.72 1.0 0.02 0.02) = 0.072% HA ALA 70 - HN LYS+ 63 16.667% * 0.0410% (0.41 1.0 0.02 0.02) = 0.041% HB3 SER 77 - HN LYS+ 63 16.667% * 0.0233% (0.23 1.0 0.02 0.02) = 0.023% HA VAL 105 - HN LYS+ 63 16.667% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 677 (7.39, 7.83, 119.35 ppm): 2 chemical-shift based assignments, quality = 0.918, support = 4.67, residual support = 15.0: * T HN GLU- 64 - HN LYS+ 63 50.000% * 99.9786% (0.92 10.00 4.67 15.04) = 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 = 0.91, support = 3.32, residual support = 16.6: * QG2 VAL 62 - HN LYS+ 63 10.000% * 44.5053% (0.94 3.98 21.65) = 44.505% kept HG3 LYS+ 63 - HN LYS+ 63 10.000% * 38.0855% (1.00 3.22 17.59) = 38.086% kept HG LEU 74 - HN LYS+ 63 10.000% * 16.1770% (0.70 1.96 1.82) = 16.177% kept HG12 ILE 68 - HN LYS+ 63 10.000% * 0.2316% (0.98 0.02 0.02) = 0.232% QG2 ILE 29 - HN LYS+ 63 10.000% * 0.2316% (0.98 0.02 0.02) = 0.232% HG12 ILE 29 - HN LYS+ 63 10.000% * 0.2181% (0.92 0.02 0.02) = 0.218% QG2 VAL 99 - HN LYS+ 63 10.000% * 0.2181% (0.92 0.02 0.02) = 0.218% QG1 VAL 105 - HN LYS+ 63 10.000% * 0.1529% (0.64 0.02 0.02) = 0.153% QD1 LEU 17 - HN LYS+ 63 10.000% * 0.1433% (0.60 0.02 0.02) = 0.143% QG2 VAL 73 - HN LYS+ 63 10.000% * 0.0365% (0.15 0.02 0.02) = 0.036% Peak 679 (4.36, 7.83, 119.35 ppm): 10 chemical-shift based assignments, quality = 0.651, support = 1.76, residual support = 1.22: * HB THR 61 - HN LYS+ 63 10.000% * 43.3978% (0.60 2.58 2.43) = 43.398% kept HA LYS+ 60 - HN LYS+ 63 10.000% * 22.4848% (0.45 1.81 0.41) = 22.485% kept HA2 GLY 26 - HN LYS+ 63 10.000% * 21.3230% (0.86 0.89 0.23) = 21.323% kept HA1 GLY 26 - HN LYS+ 63 10.000% * 10.5450% (0.99 0.38 0.23) = 10.545% kept HA ASN 57 - HN LYS+ 63 10.000% * 0.8158% (0.34 0.09 0.02) = 0.816% HA LYS+ 117 - HN LYS+ 63 10.000% * 0.5239% (0.94 0.02 0.02) = 0.524% HA THR 38 - HN LYS+ 63 10.000% * 0.3135% (0.56 0.02 0.02) = 0.314% HA VAL 94 - HN LYS+ 63 10.000% * 0.2914% (0.52 0.02 0.02) = 0.291% HA ALA 37 - HN LYS+ 63 10.000% * 0.2079% (0.37 0.02 0.02) = 0.208% HA TRP 51 - HN LYS+ 63 10.000% * 0.0970% (0.17 0.02 0.02) = 0.097% Peak 680 (2.04, 7.83, 119.35 ppm): 16 chemical-shift based assignments, quality = 0.855, support = 4.06, residual support = 20.1: * HB VAL 62 - HN LYS+ 63 6.250% * 87.6865% (0.94 4.50 21.65) = 87.686% kept HG2 GLU- 64 - HN LYS+ 63 6.250% * 7.4072% (0.25 1.44 15.04) = 7.407% kept HB3 GLU- 75 - HN LYS+ 63 6.250% * 1.8475% (0.60 0.15 0.02) = 1.848% kept HB3 LYS+ 110 - HN LYS+ 63 6.250% * 0.4111% (0.99 0.02 0.02) = 0.411% HG3 PRO 86 - HN LYS+ 63 6.250% * 0.3897% (0.94 0.02 0.02) = 0.390% HB3 GLU- 107 - HN LYS+ 63 6.250% * 0.3897% (0.94 0.02 0.02) = 0.390% HB3 GLU- 45 - HN LYS+ 63 6.250% * 0.3441% (0.83 0.02 0.02) = 0.344% HB2 GLU- 45 - HN LYS+ 63 6.250% * 0.2992% (0.72 0.02 0.02) = 0.299% HB2 LYS+ 44 - HN LYS+ 63 6.250% * 0.2499% (0.60 0.02 0.02) = 0.250% HB3 PRO 31 - HN LYS+ 63 6.250% * 0.2499% (0.60 0.02 0.02) = 0.250% HB2 PRO 112 - HN LYS+ 63 6.250% * 0.2005% (0.48 0.02 0.02) = 0.201% HB3 PRO 112 - HN LYS+ 63 6.250% * 0.1694% (0.41 0.02 0.02) = 0.169% HG2 PRO 116 - HN LYS+ 63 6.250% * 0.1546% (0.37 0.02 0.02) = 0.155% HB2 GLU- 18 - HN LYS+ 63 6.250% * 0.0815% (0.20 0.02 0.02) = 0.082% HB VAL 105 - HN LYS+ 63 6.250% * 0.0636% (0.15 0.02 0.02) = 0.064% HG3 ARG+ 53 - HN LYS+ 63 6.250% * 0.0558% (0.13 0.02 0.02) = 0.056% Peak 681 (1.44, 7.83, 119.35 ppm): 10 chemical-shift based assignments, quality = 0.657, support = 1.18, residual support = 1.03: HG LEU 74 - HN LYS+ 63 10.000% * 46.8096% (0.34 1.96 1.82) = 46.810% kept HB3 LYS+ 60 - HN LYS+ 63 10.000% * 42.3637% (1.00 0.60 0.41) = 42.364% kept HG3 LYS+ 55 - HN LYS+ 63 10.000% * 5.5995% (0.92 0.09 0.02) = 5.599% kept HG LEU 90 - HN LYS+ 63 10.000% * 1.3922% (0.99 0.02 0.02) = 1.392% kept HD3 LYS+ 113 - HN LYS+ 63 10.000% * 1.2597% (0.89 0.02 0.02) = 1.260% kept HD3 LYS+ 44 - HN LYS+ 63 10.000% * 0.8519% (0.60 0.02 0.02) = 0.852% HG3 LYS+ 108 - HN LYS+ 63 10.000% * 0.8519% (0.60 0.02 0.02) = 0.852% QG2 THR 38 - HN LYS+ 63 10.000% * 0.3127% (0.22 0.02 0.02) = 0.313% QB ALA 37 - HN LYS+ 63 10.000% * 0.3127% (0.22 0.02 0.02) = 0.313% QB ALA 42 - HN LYS+ 63 10.000% * 0.2460% (0.17 0.02 0.02) = 0.246% Peak 682 (8.74, 7.83, 119.35 ppm): 4 chemical-shift based assignments, quality = 0.69, support = 4.38, residual support = 17.5: * T HN VAL 62 - HN LYS+ 63 25.000% * 80.7528% (0.64 10.00 5.34 21.65) = 80.753% kept T HN GLU- 56 - HN LYS+ 63 25.000% * 19.0760% (0.89 10.00 0.34 0.02) = 19.076% kept HN ILE 101 - HN LYS+ 63 25.000% * 0.1152% (0.92 1.00 0.02 0.02) = 0.115% HN PHE 34 - HN LYS+ 63 25.000% * 0.0560% (0.45 1.00 0.02 0.02) = 0.056% Peak 683 (3.43, 7.83, 119.35 ppm): 7 chemical-shift based assignments, quality = 0.68, support = 4.78, residual support = 21.5: * O HA VAL 62 - HN LYS+ 63 14.286% * 99.4989% (0.68 10.0 4.81 21.65) = 99.499% kept HA THR 39 - HN LYS+ 63 14.286% * 0.1436% (0.99 1.0 0.02 0.02) = 0.144% HB2 SER 69 - HN LYS+ 63 14.286% * 0.1420% (0.98 1.0 0.02 0.02) = 0.142% HB THR 79 - HN LYS+ 63 14.286% * 0.1398% (0.96 1.0 0.02 0.02) = 0.140% HA VAL 80 - HN LYS+ 63 14.286% * 0.0322% (0.22 1.0 0.02 0.02) = 0.032% HA ILE 48 - HN LYS+ 63 14.286% * 0.0239% (0.16 1.0 0.02 0.02) = 0.024% HB3 TRP 51 - HN LYS+ 63 14.286% * 0.0196% (0.13 1.0 0.02 0.02) = 0.020% 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 = 0.703, support = 4.05, residual support = 42.7: * QD PHE 34 - HN PHE 34 14.286% * 54.4686% (0.90 4.63 44.73) = 54.469% kept QE PHE 34 - HN PHE 34 14.286% * 25.5003% (0.45 4.34 44.73) = 25.500% kept HZ PHE 34 - HN PHE 34 14.286% * 15.4783% (0.45 2.63 44.73) = 15.478% kept HN VAL 47 - HN PHE 34 14.286% * 2.3968% (0.94 0.19 0.02) = 2.397% kept HN ILE 48 - HN PHE 34 14.286% * 1.7852% (0.49 0.28 0.68) = 1.785% kept HN ARG+ 84 - HN PHE 34 14.286% * 0.2531% (0.96 0.02 0.02) = 0.253% HZ2 TRP 51 - HN PHE 34 14.286% * 0.1176% (0.45 0.02 0.02) = 0.118% Peak 686 (4.91, 8.76, 119.28 ppm): 4 chemical-shift based assignments, quality = 0.941, support = 3.29, residual support = 8.92: * O HA ALA 33 - HN PHE 34 25.000% * 97.4164% (0.94 10.0 3.36 9.15) = 97.416% kept HA HIS+ 98 - HN PHE 34 25.000% * 2.4703% (0.83 1.0 0.57 0.02) = 2.470% kept HA GLN 102 - HN PHE 34 25.000% * 0.0974% (0.94 1.0 0.02 0.02) = 0.097% HA SER 69 - HN PHE 34 25.000% * 0.0159% (0.15 1.0 0.02 0.02) = 0.016% Peak 687 (2.60, 8.76, 119.28 ppm): 5 chemical-shift based assignments, quality = 0.996, support = 3.97, residual support = 44.6: * O HB2 PHE 34 - HN PHE 34 20.000% * 99.7286% (1.00 10.0 3.98 44.73) = 99.729% kept HA1 GLY 58 - HN PHE 34 20.000% * 0.0984% (0.99 1.0 0.02 0.10) = 0.098% HB3 ASP- 36 - HN PHE 34 20.000% * 0.0872% (0.87 1.0 0.02 0.02) = 0.087% HB2 ASP- 25 - HN PHE 34 20.000% * 0.0447% (0.45 1.0 0.02 0.02) = 0.045% HE2 LYS+ 20 - HN PHE 34 20.000% * 0.0410% (0.41 1.0 0.02 1.77) = 0.041% Peak 688 (1.13, 8.76, 119.28 ppm): 6 chemical-shift based assignments, quality = 0.977, support = 2.57, residual support = 9.15: * QB ALA 33 - HN PHE 34 16.667% * 48.9360% (0.99 3.62 9.15) = 48.936% kept HG3 LYS+ 32 - HN PHE 34 16.667% * 24.7409% (0.99 1.83 17.88) = 24.741% kept HG LEU 74 - HN PHE 34 16.667% * 20.7841% (1.00 1.52 1.09) = 20.784% kept QG2 THR 96 - HN PHE 34 16.667% * 5.1987% (0.76 0.50 0.41) = 5.199% kept HD3 LYS+ 111 - HN PHE 34 16.667% * 0.2723% (1.00 0.02 0.02) = 0.272% QG2 THR 61 - HN PHE 34 16.667% * 0.0680% (0.25 0.02 0.02) = 0.068% Peak 689 (5.01, 8.76, 119.28 ppm): 2 chemical-shift based assignments, quality = 0.998, support = 3.78, residual support = 44.7: * O HA PHE 34 - HN PHE 34 50.000% * 99.9236% (1.00 10.0 3.78 44.73) = 99.924% kept HA ILE 68 - HN PHE 34 50.000% * 0.0764% (0.76 1.0 0.02 0.10) = 0.076% Peak 690 (3.15, 8.76, 119.28 ppm): 10 chemical-shift based assignments, quality = 0.662, support = 3.75, residual support = 37.6: * O HB3 PHE 34 - HN PHE 34 10.000% * 83.9322% (0.61 10.0 4.11 44.73) = 83.932% kept HD3 PRO 35 - HN PHE 34 10.000% * 14.4541% (1.00 1.0 2.09 0.48) = 14.454% kept HB3 HIS+ 98 - HN PHE 34 10.000% * 1.2541% (0.76 1.0 0.24 0.02) = 1.254% kept HD2 ARG+ 53 - HN PHE 34 10.000% * 0.1335% (0.96 1.0 0.02 0.02) = 0.134% HD3 ARG+ 84 - HN PHE 34 10.000% * 0.0427% (0.31 1.0 0.02 0.02) = 0.043% HE3 LYS+ 117 - HN PHE 34 10.000% * 0.0427% (0.31 1.0 0.02 0.02) = 0.043% HE3 LYS+ 108 - HN PHE 34 10.000% * 0.0427% (0.31 1.0 0.02 0.02) = 0.043% HE3 LYS+ 72 - HN PHE 34 10.000% * 0.0385% (0.28 1.0 0.02 0.02) = 0.038% HA1 GLY 58 - HN PHE 34 10.000% * 0.0320% (0.23 1.0 0.02 0.10) = 0.032% HE3 LYS+ 81 - HN PHE 34 10.000% * 0.0274% (0.20 1.0 0.02 0.02) = 0.027% Peak 691 (8.98, 8.76, 119.28 ppm): 1 chemical-shift based assignment, quality = 0.525, support = 1.6, residual support = 1.6: HN MET 97 - HN PHE 34 100.000% *100.0000% (0.53 1.60 1.60) = 100.000% kept Peak 692 (4.73, 8.18, 119.35 ppm): 4 chemical-shift based assignments, quality = 0.221, support = 1.03, residual support = 1.78: * O HA MET 118 - HN ASN 119 25.000% * 98.1032% (0.23 10.0 1.05 1.82) = 98.103% kept HA PRO 31 - HN ASN 119 25.000% * 0.7324% (0.89 1.0 0.02 0.02) = 0.732% HA VAL 40 - HN ASN 119 25.000% * 0.5934% (0.18 1.0 0.08 0.02) = 0.593% HA2 GLY 30 - HN ASN 119 25.000% * 0.5710% (0.69 1.0 0.02 0.02) = 0.571% Peak 693 (1.71, 8.18, 119.35 ppm): 3 chemical-shift based assignments, quality = 0.332, support = 0.0623, residual support = 0.02: HD3 LYS+ 55 - HN ASN 119 33.333% * 60.7691% (0.25 0.09 0.02) = 60.769% kept HB ILE 48 - HN ASN 119 33.333% * 29.5796% (0.55 0.02 0.02) = 29.580% kept HB3 GLU- 50 - HN ASN 119 33.333% * 9.6512% (0.18 0.02 0.02) = 9.651% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 694 (2.78, 8.18, 119.35 ppm): 6 chemical-shift based assignments, quality = 0.826, support = 1.35, residual support = 7.68: * O HB2 ASN 119 - HN ASN 119 16.667% * 99.0424% (0.83 10.0 1.36 7.75) = 99.042% kept HB3 ASN 57 - HN ASN 119 16.667% * 0.6510% (0.83 1.0 0.09 0.02) = 0.651% HA1 GLY 58 - HN ASN 119 16.667% * 0.1426% (0.82 1.0 0.02 0.02) = 0.143% HB3 ASN 89 - HN ASN 119 16.667% * 0.0891% (0.51 1.0 0.02 0.02) = 0.089% HA2 GLY 58 - HN ASN 119 16.667% * 0.0438% (0.25 1.0 0.02 0.02) = 0.044% HE3 LYS+ 32 - HN ASN 119 16.667% * 0.0311% (0.18 1.0 0.02 0.02) = 0.031% Peak 695 (4.65, 8.18, 119.35 ppm): 4 chemical-shift based assignments, quality = 0.622, support = 1.64, residual support = 3.22: HA LYS+ 120 - HN ASN 119 25.000% * 96.9720% (0.62 1.69 3.32) = 96.972% kept HA LYS+ 20 - HN ASN 119 25.000% * 1.6146% (0.87 0.02 0.02) = 1.615% kept HA ASP- 36 - HN ASN 119 25.000% * 1.0823% (0.58 0.02 0.02) = 1.082% kept HA TYR 83 - HN ASN 119 25.000% * 0.3311% (0.18 0.02 0.02) = 0.331% Peak 696 (8.18, 8.18, 119.35 ppm): 1 diagonal assignment: HN ASN 119 - HN ASN 119 (0.62) kept Peak 697 (1.88, 8.18, 119.35 ppm): 9 chemical-shift based assignments, quality = 0.795, support = 1.26, residual support = 2.97: HG3 LYS+ 120 - HN ASN 119 11.111% * 83.2149% (0.90 1.41 3.32) = 83.215% kept HB3 MET 118 - HN ASN 119 11.111% * 11.5756% (0.25 0.71 1.82) = 11.576% kept HB3 GLU- 54 - HN ASN 119 11.111% * 1.9843% (0.16 0.19 0.02) = 1.984% kept HB3 ARG+ 84 - HN ASN 119 11.111% * 1.1753% (0.90 0.02 0.02) = 1.175% kept HG2 GLU- 18 - HN ASN 119 11.111% * 0.8554% (0.66 0.02 0.02) = 0.855% HB3 CYS 123 - HN ASN 119 11.111% * 0.5734% (0.44 0.02 0.02) = 0.573% HB2 PRO 104 - HN ASN 119 11.111% * 0.2331% (0.18 0.02 0.02) = 0.233% HB3 LYS+ 72 - HN ASN 119 11.111% * 0.2063% (0.16 0.02 0.02) = 0.206% HB3 GLN 102 - HN ASN 119 11.111% * 0.1818% (0.14 0.02 0.02) = 0.182% Peak 698 (2.25, 8.18, 119.35 ppm): 9 chemical-shift based assignments, quality = 0.561, support = 0.34, residual support = 0.577: HG3 GLU- 75 - HN ASN 119 11.111% * 34.3582% (0.58 0.33 0.11) = 34.358% kept * HG3 MET 118 - HN ASN 119 11.111% * 29.2609% (0.28 0.58 1.82) = 29.261% kept HG2 GLU- 56 - HN ASN 119 11.111% * 28.8597% (0.83 0.19 0.02) = 28.860% kept HB VAL 80 - HN ASN 119 11.111% * 3.1367% (0.87 0.02 0.02) = 3.137% kept HB3 PRO 52 - HN ASN 119 11.111% * 1.3362% (0.37 0.02 0.02) = 1.336% kept HA1 GLY 58 - HN ASN 119 11.111% * 1.3342% (0.37 0.02 0.02) = 1.334% kept HG3 GLU- 18 - HN ASN 119 11.111% * 0.6432% (0.18 0.02 0.02) = 0.643% HG3 GLU- 107 - HN ASN 119 11.111% * 0.5692% (0.16 0.02 0.31) = 0.569% HB2 GLU- 50 - HN ASN 119 11.111% * 0.5015% (0.14 0.02 0.02) = 0.502% Peak 699 (2.08, 8.18, 119.35 ppm): 11 chemical-shift based assignments, quality = 0.828, support = 1.08, residual support = 1.89: HB3 LYS+ 120 - HN ASN 119 9.091% * 55.8178% (0.90 1.57 3.32) = 55.818% kept HB3 GLU- 75 - HN ASN 119 9.091% * 19.4883% (0.86 0.58 0.11) = 19.488% kept HD3 LYS+ 110 - HN ASN 119 9.091% * 14.3015% (0.72 0.50 0.02) = 14.302% kept HB VAL 125 - HN ASN 119 9.091% * 3.8239% (0.55 0.18 0.02) = 3.824% kept HB2 LEU 43 - HN ASN 119 9.091% * 2.7634% (0.58 0.12 0.57) = 2.763% kept HB2 LYS+ 110 - HN ASN 119 9.091% * 2.4968% (0.66 0.10 0.02) = 2.497% kept HG3 ARG+ 53 - HN ASN 119 9.091% * 0.5928% (0.75 0.02 0.02) = 0.593% HB VAL 87 - HN ASN 119 9.091% * 0.2421% (0.31 0.02 0.02) = 0.242% HB VAL 65 - HN ASN 119 9.091% * 0.2190% (0.28 0.02 0.02) = 0.219% HB2 GLU- 45 - HN ASN 119 9.091% * 0.1404% (0.18 0.02 0.02) = 0.140% HA1 GLY 58 - HN ASN 119 9.091% * 0.1140% (0.15 0.02 0.02) = 0.114% Peak 700 (4.12, 8.25, 118.98 ppm): 18 chemical-shift based assignments, quality = 0.831, support = 2.05, residual support = 9.28: O HB THR 106 - HN THR 106 5.556% * 50.8816% (0.99 10.0 1.44 10.76) = 50.882% kept * O HA VAL 105 - HN THR 106 5.556% * 48.5623% (0.68 10.0 2.72 7.84) = 48.562% kept HA ARG+ 53 - HN THR 106 5.556% * 0.0693% (0.97 1.0 0.02 0.02) = 0.069% HA THR 46 - HN THR 106 5.556% * 0.0653% (0.91 1.0 0.02 0.02) = 0.065% HB THR 106 - HN LYS+ 81 5.556% * 0.0465% (0.65 1.0 0.02 0.02) = 0.047% HA ARG+ 53 - HN LYS+ 81 5.556% * 0.0456% (0.64 1.0 0.02 0.02) = 0.046% HA THR 46 - HN LYS+ 81 5.556% * 0.0429% (0.60 1.0 0.02 0.02) = 0.043% HD2 PRO 59 - HN THR 106 5.556% * 0.0429% (0.60 1.0 0.02 0.02) = 0.043% HA LYS+ 44 - HN THR 106 5.556% * 0.0417% (0.58 1.0 0.02 0.02) = 0.042% HA VAL 105 - HN LYS+ 81 5.556% * 0.0319% (0.45 1.0 0.02 0.02) = 0.032% HA2 GLY 71 - HN THR 106 5.556% * 0.0291% (0.41 1.0 0.02 0.02) = 0.029% HD2 PRO 59 - HN LYS+ 81 5.556% * 0.0282% (0.39 1.0 0.02 0.02) = 0.028% HA LYS+ 44 - HN LYS+ 81 5.556% * 0.0274% (0.38 1.0 0.02 0.02) = 0.027% HA ALA 70 - HN THR 106 5.556% * 0.0241% (0.34 1.0 0.02 0.02) = 0.024% HA2 GLY 71 - HN LYS+ 81 5.556% * 0.0191% (0.27 1.0 0.02 0.02) = 0.019% HA ALA 70 - HN LYS+ 81 5.556% * 0.0159% (0.22 1.0 0.02 0.02) = 0.016% HB2 SER 88 - HN THR 106 5.556% * 0.0157% (0.22 1.0 0.02 0.02) = 0.016% HB2 SER 88 - HN LYS+ 81 5.556% * 0.0104% (0.14 1.0 0.02 0.02) = 0.010% 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): 26 chemical-shift based assignments, quality = 0.895, support = 2.54, residual support = 10.6: * O HA THR 106 - HN THR 106 3.846% * 98.2859% (0.91 10.0 2.58 10.76) = 98.286% kept HA ARG+ 84 - HN THR 106 3.846% * 0.4127% (0.79 1.0 0.10 0.13) = 0.413% HA ALA 91 - HN THR 106 3.846% * 0.0983% (0.91 1.0 0.02 0.02) = 0.098% HD3 PRO 59 - HN THR 106 3.846% * 0.0955% (0.88 1.0 0.02 0.02) = 0.095% HA SER 85 - HN THR 106 3.846% * 0.0955% (0.88 1.0 0.02 0.02) = 0.095% HA PRO 52 - HN THR 106 3.846% * 0.0955% (0.88 1.0 0.02 0.02) = 0.095% HA VAL 65 - HN THR 106 3.846% * 0.0889% (0.82 1.0 0.02 0.02) = 0.089% HA LEU 90 - HN THR 106 3.846% * 0.0853% (0.79 1.0 0.02 0.02) = 0.085% HA THR 106 - HN LYS+ 81 3.846% * 0.0647% (0.60 1.0 0.02 0.02) = 0.065% HA ALA 91 - HN LYS+ 81 3.846% * 0.0647% (0.60 1.0 0.02 0.02) = 0.065% HA PRO 52 - HN LYS+ 81 3.846% * 0.0628% (0.58 1.0 0.02 0.02) = 0.063% HA SER 85 - HN LYS+ 81 3.846% * 0.0628% (0.58 1.0 0.02 0.02) = 0.063% HD3 PRO 59 - HN LYS+ 81 3.846% * 0.0628% (0.58 1.0 0.02 0.02) = 0.063% HA VAL 65 - HN LYS+ 81 3.846% * 0.0585% (0.54 1.0 0.02 0.02) = 0.059% HA LEU 90 - HN LYS+ 81 3.846% * 0.0561% (0.52 1.0 0.02 0.02) = 0.056% HA ARG+ 84 - HN LYS+ 81 3.846% * 0.0561% (0.52 1.0 0.02 0.85) = 0.056% HA GLU- 75 - HN THR 106 3.846% * 0.0518% (0.48 1.0 0.02 0.02) = 0.052% HA PRO 104 - HN THR 106 3.846% * 0.0363% (0.34 1.0 0.02 0.02) = 0.036% HA GLU- 75 - HN LYS+ 81 3.846% * 0.0341% (0.32 1.0 0.02 0.02) = 0.034% HA GLU- 56 - HN THR 106 3.846% * 0.0296% (0.27 1.0 0.02 0.02) = 0.030% HA PRO 104 - HN LYS+ 81 3.846% * 0.0239% (0.22 1.0 0.02 0.02) = 0.024% HA2 GLY 114 - HN THR 106 3.846% * 0.0211% (0.20 1.0 0.02 0.02) = 0.021% HA GLU- 56 - HN LYS+ 81 3.846% * 0.0195% (0.18 1.0 0.02 0.02) = 0.019% HA ILE 29 - HN THR 106 3.846% * 0.0144% (0.13 1.0 0.02 0.02) = 0.014% HA2 GLY 114 - HN LYS+ 81 3.846% * 0.0139% (0.13 1.0 0.02 0.02) = 0.014% HA ILE 29 - HN LYS+ 81 3.846% * 0.0095% (0.09 1.0 0.02 0.02) = 0.009% Peak 705 (0.91, 8.25, 118.98 ppm): 28 chemical-shift based assignments, quality = 0.616, support = 2.32, residual support = 5.72: * QG2 VAL 105 - HN THR 106 3.571% * 38.7777% (0.88 3.15 7.84) = 38.778% kept QG1 VAL 80 - HN LYS+ 81 3.571% * 18.5107% (0.34 3.89 11.00) = 18.511% kept HG LEU 74 - HN LYS+ 81 3.571% * 7.7209% (0.38 1.47 2.21) = 7.721% kept HG LEU 74 - HN THR 106 3.571% * 6.1478% (0.57 0.77 0.75) = 6.148% kept QG2 VAL 73 - HN LYS+ 81 3.571% * 5.5085% (0.45 0.89 0.28) = 5.509% kept QG1 VAL 105 - HN THR 106 3.571% * 5.2859% (0.17 2.20 7.84) = 5.286% kept QG1 VAL 47 - HN LYS+ 81 3.571% * 4.5272% (0.60 0.54 0.02) = 4.527% kept QD1 LEU 67 - HN THR 106 3.571% * 4.0755% (0.95 0.31 0.02) = 4.075% kept QG2 VAL 73 - HN THR 106 3.571% * 3.5695% (0.68 0.38 0.02) = 3.569% kept HG13 ILE 68 - HN THR 106 3.571% * 2.2424% (0.98 0.16 0.02) = 2.242% kept QG1 VAL 40 - HN THR 106 3.571% * 0.8057% (0.20 0.30 0.02) = 0.806% QG2 VAL 47 - HN LYS+ 81 3.571% * 0.7465% (0.16 0.33 0.02) = 0.746% QG1 VAL 122 - HN LYS+ 81 3.571% * 0.2895% (0.24 0.09 0.02) = 0.290% QG2 VAL 87 - HN THR 106 3.571% * 0.2695% (0.97 0.02 0.02) = 0.269% QG1 VAL 47 - HN THR 106 3.571% * 0.2538% (0.91 0.02 0.02) = 0.254% HG13 ILE 68 - HN LYS+ 81 3.571% * 0.1793% (0.64 0.02 0.02) = 0.179% QG2 VAL 87 - HN LYS+ 81 3.571% * 0.1773% (0.64 0.02 0.02) = 0.177% QD1 LEU 67 - HN LYS+ 81 3.571% * 0.1746% (0.63 0.02 0.02) = 0.175% QG2 VAL 105 - HN LYS+ 81 3.571% * 0.1622% (0.58 0.02 0.02) = 0.162% QG1 VAL 80 - HN THR 106 3.571% * 0.1446% (0.52 0.02 0.02) = 0.145% QG1 VAL 122 - HN THR 106 3.571% * 0.1032% (0.37 0.02 0.02) = 0.103% QG2 VAL 47 - HN THR 106 3.571% * 0.0686% (0.25 0.02 0.02) = 0.069% QG2 VAL 125 - HN THR 106 3.571% * 0.0612% (0.22 0.02 0.02) = 0.061% QD1 LEU 17 - HN THR 106 3.571% * 0.0544% (0.20 0.02 0.02) = 0.054% QG2 VAL 125 - HN LYS+ 81 3.571% * 0.0403% (0.14 0.02 0.02) = 0.040% QG1 VAL 40 - HN LYS+ 81 3.571% * 0.0358% (0.13 0.02 0.02) = 0.036% QD1 LEU 17 - HN LYS+ 81 3.571% * 0.0358% (0.13 0.02 0.02) = 0.036% QG1 VAL 105 - HN LYS+ 81 3.571% * 0.0317% (0.11 0.02 0.02) = 0.032% Peak 706 (2.00, 8.25, 118.98 ppm): 28 chemical-shift based assignments, quality = 0.631, support = 2.06, residual support = 5.26: * HB VAL 105 - HN THR 106 3.571% * 66.6651% (0.82 2.79 7.84) = 66.665% kept HG2 PRO 116 - HN THR 106 3.571% * 8.2809% (0.52 0.55 0.23) = 8.281% kept HG3 PRO 104 - HN THR 106 3.571% * 6.2536% (0.22 0.98 0.02) = 6.254% kept HB VAL 73 - HN LYS+ 81 3.571% * 4.3861% (0.11 1.33 0.28) = 4.386% kept HB VAL 73 - HN THR 106 3.571% * 2.5170% (0.17 0.50 0.02) = 2.517% kept HB3 PRO 31 - HN LYS+ 81 3.571% * 2.1359% (0.20 0.37 0.02) = 2.136% kept HB3 GLU- 75 - HN LYS+ 81 3.571% * 2.0913% (0.16 0.45 0.02) = 2.091% kept HB3 PRO 31 - HN THR 106 3.571% * 1.5606% (0.30 0.18 0.02) = 1.561% kept HB3 GLU- 75 - HN THR 106 3.571% * 1.3167% (0.24 0.19 0.02) = 1.317% kept HG2 PRO 86 - HN THR 106 3.571% * 0.5284% (0.91 0.02 0.02) = 0.528% HB2 GLU- 18 - HN THR 106 3.571% * 0.4374% (0.75 0.02 0.02) = 0.437% HB2 LYS+ 108 - HN THR 106 3.571% * 0.3932% (0.68 0.02 0.02) = 0.393% HG2 GLU- 64 - HN THR 106 3.571% * 0.3932% (0.68 0.02 0.02) = 0.393% HG2 PRO 86 - HN LYS+ 81 3.571% * 0.3476% (0.60 0.02 0.02) = 0.348% HB VAL 105 - HN LYS+ 81 3.571% * 0.3145% (0.54 0.02 0.02) = 0.315% HB2 GLU- 18 - HN LYS+ 81 3.571% * 0.2878% (0.50 0.02 0.02) = 0.288% HB3 PRO 112 - HN THR 106 3.571% * 0.2786% (0.48 0.02 0.02) = 0.279% HB2 LYS+ 108 - HN LYS+ 81 3.571% * 0.2587% (0.45 0.02 0.02) = 0.259% HG2 GLU- 64 - HN LYS+ 81 3.571% * 0.2587% (0.45 0.02 0.02) = 0.259% HB2 PRO 112 - HN THR 106 3.571% * 0.2353% (0.41 0.02 0.02) = 0.235% HG2 PRO 116 - HN LYS+ 81 3.571% * 0.1981% (0.34 0.02 0.02) = 0.198% HB3 PRO 112 - HN LYS+ 81 3.571% * 0.1833% (0.32 0.02 0.02) = 0.183% HB2 LYS+ 44 - HN THR 106 3.571% * 0.1767% (0.30 0.02 0.02) = 0.177% HB2 PRO 112 - HN LYS+ 81 3.571% * 0.1548% (0.27 0.02 0.02) = 0.155% HB2 LYS+ 44 - HN LYS+ 81 3.571% * 0.1162% (0.20 0.02 0.02) = 0.116% HB3 GLU- 45 - HN THR 106 3.571% * 0.0883% (0.15 0.02 0.02) = 0.088% HG3 PRO 104 - HN LYS+ 81 3.571% * 0.0838% (0.14 0.02 0.02) = 0.084% HB3 GLU- 45 - HN LYS+ 81 3.571% * 0.0581% (0.10 0.02 0.02) = 0.058% Peak 707 (1.66, 8.24, 118.98 ppm): 10 chemical-shift based assignments, quality = 0.62, support = 0.743, residual support = 0.338: HB3 ARG+ 22 - HN LYS+ 81 10.000% * 26.7889% (0.54 1.09 0.16) = 26.789% kept HB3 MET 97 - HN LYS+ 81 10.000% * 24.7850% (0.61 0.89 0.31) = 24.785% kept * HG3 ARG+ 84 - HN LYS+ 81 10.000% * 23.1533% (0.80 0.64 0.85) = 23.153% kept HG3 ARG+ 84 - HN THR 106 10.000% * 14.0422% (0.69 0.44 0.13) = 14.042% kept HD3 LYS+ 55 - HN LYS+ 81 10.000% * 5.5025% (0.40 0.30 0.02) = 5.502% kept HB3 MET 97 - HN THR 106 10.000% * 3.5513% (0.53 0.15 0.02) = 3.551% kept HB3 MET 126 - HN LYS+ 81 10.000% * 0.7687% (0.84 0.02 0.02) = 0.769% HB3 MET 126 - HN THR 106 10.000% * 0.6658% (0.73 0.02 0.02) = 0.666% HB3 ARG+ 22 - HN THR 106 10.000% * 0.4269% (0.47 0.02 0.02) = 0.427% HD3 LYS+ 55 - HN THR 106 10.000% * 0.3155% (0.35 0.02 0.02) = 0.316% 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 = 0.817, support = 3.85, residual support = 8.33: * HN VAL 47 - HN THR 46 14.286% * 74.5924% (0.92 4.66 10.75) = 74.592% kept HN ILE 48 - HN THR 46 14.286% * 17.9780% (0.53 1.97 1.71) = 17.978% kept HZ2 TRP 51 - HN THR 46 14.286% * 2.1960% (0.41 0.31 0.02) = 2.196% kept HZ PHE 34 - HN THR 46 14.286% * 2.1033% (0.41 0.30 0.02) = 2.103% kept QE PHE 34 - HN THR 46 14.286% * 1.5381% (0.41 0.22 0.02) = 1.538% kept QD PHE 34 - HN THR 46 14.286% * 1.2644% (0.87 0.08 0.02) = 1.264% kept HN ARG+ 84 - HN THR 46 14.286% * 0.3278% (0.94 0.02 0.02) = 0.328% Peak 710 (4.51, 7.79, 118.77 ppm): 7 chemical-shift based assignments, quality = 0.988, support = 3.26, residual support = 8.19: * O HB THR 46 - HN THR 46 14.286% * 98.0965% (0.99 10.0 3.32 8.34) = 98.096% kept HA LYS+ 55 - HN THR 46 14.286% * 1.6670% (0.99 1.0 0.34 0.02) = 1.667% kept HA SER 77 - HN THR 46 14.286% * 0.0719% (0.73 1.0 0.02 0.02) = 0.072% HA CYS 123 - HN THR 46 14.286% * 0.0600% (0.61 1.0 0.02 0.02) = 0.060% HA LYS+ 78 - HN THR 46 14.286% * 0.0444% (0.45 1.0 0.02 0.02) = 0.044% HA ASN 76 - HN THR 46 14.286% * 0.0407% (0.41 1.0 0.02 0.02) = 0.041% HA ALA 103 - HN THR 46 14.286% * 0.0196% (0.20 1.0 0.02 0.02) = 0.020% Peak 711 (8.21, 7.79, 118.77 ppm): 10 chemical-shift based assignments, quality = 0.971, support = 4.89, residual support = 11.7: * T HN GLU- 45 - HN THR 46 10.000% * 97.4399% (0.99 10.00 4.99 12.03) = 97.440% kept HN SER 49 - HN THR 46 10.000% * 2.1609% (0.31 1.00 1.42 0.02) = 2.161% kept HN VAL 105 - HN THR 46 10.000% * 0.0853% (0.87 1.00 0.02 0.02) = 0.085% HN LYS+ 117 - HN THR 46 10.000% * 0.0821% (0.83 1.00 0.02 0.02) = 0.082% HN VAL 94 - HN THR 46 10.000% * 0.0821% (0.83 1.00 0.02 0.02) = 0.082% HN ALA 33 - HN THR 46 10.000% * 0.0596% (0.61 1.00 0.02 0.02) = 0.060% HN ASN 119 - HN THR 46 10.000% * 0.0441% (0.45 1.00 0.02 0.02) = 0.044% HN GLY 58 - HN THR 46 10.000% * 0.0195% (0.20 1.00 0.02 0.02) = 0.019% HN LEU 67 - HN THR 46 10.000% * 0.0133% (0.14 1.00 0.02 0.02) = 0.013% HN LYS+ 81 - HN THR 46 10.000% * 0.0133% (0.14 1.00 0.02 0.02) = 0.013% Peak 712 (4.10, 7.79, 118.77 ppm): 7 chemical-shift based assignments, quality = 0.646, support = 2.65, residual support = 7.5: * O HA THR 46 - HN THR 46 14.286% * 88.1659% (0.65 10.0 2.70 8.34) = 88.166% kept HA LYS+ 44 - HN THR 46 14.286% * 11.2156% (0.68 1.0 2.41 1.27) = 11.216% kept HA ARG+ 53 - HN THR 46 14.286% * 0.2587% (0.31 1.0 0.12 0.02) = 0.259% HA ALA 70 - HN THR 46 14.286% * 0.1351% (0.99 1.0 0.02 0.02) = 0.135% HA VAL 105 - HN THR 46 14.286% * 0.1222% (0.90 1.0 0.02 0.02) = 0.122% HB THR 106 - HN THR 46 14.286% * 0.0560% (0.41 1.0 0.02 0.02) = 0.056% HA LYS+ 63 - HN THR 46 14.286% * 0.0465% (0.34 1.0 0.02 0.02) = 0.046% Peak 713 (2.07, 7.79, 118.77 ppm): 11 chemical-shift based assignments, quality = 0.488, support = 2.12, residual support = 6.77: * HB2 GLU- 45 - HN THR 46 9.091% * 56.1680% (0.31 3.46 12.03) = 56.168% kept HB3 GLU- 75 - HN THR 46 9.091% * 23.3331% (0.92 0.48 0.02) = 23.333% kept HA1 GLY 58 - HN THR 46 9.091% * 6.1700% (0.16 0.75 0.02) = 6.170% kept HG3 ARG+ 53 - HN THR 46 9.091% * 6.1170% (0.94 0.12 0.02) = 6.117% kept HB2 LEU 43 - HN THR 46 9.091% * 4.1524% (0.49 0.16 0.02) = 4.152% kept HB VAL 87 - HN THR 46 9.091% * 1.0899% (0.22 0.09 0.02) = 1.090% kept HB3 LYS+ 120 - HN THR 46 9.091% * 1.0147% (0.96 0.02 0.02) = 1.015% kept HD3 LYS+ 110 - HN THR 46 9.091% * 0.6802% (0.65 0.02 0.02) = 0.680% HB2 LYS+ 110 - HN THR 46 9.091% * 0.5953% (0.57 0.02 0.02) = 0.595% HB VAL 125 - HN THR 46 9.091% * 0.4714% (0.45 0.02 0.02) = 0.471% HB VAL 65 - HN THR 46 9.091% * 0.2081% (0.20 0.02 0.02) = 0.208% Peak 714 (2.22, 7.79, 118.77 ppm): 14 chemical-shift based assignments, quality = 0.746, support = 1.02, residual support = 0.498: * HB2 GLU- 50 - HN THR 46 7.143% * 59.1056% (1.00 1.36 0.83) = 59.106% kept HG3 GLU- 75 - HN THR 46 7.143% * 12.0107% (0.65 0.43 0.02) = 12.011% kept HA1 GLY 58 - HN THR 46 7.143% * 11.7619% (0.36 0.75 0.02) = 11.762% kept HG2 GLU- 56 - HN THR 46 7.143% * 10.8849% (0.34 0.73 0.02) = 10.885% kept HG3 GLU- 107 - HN THR 46 7.143% * 0.8702% (1.00 0.02 0.02) = 0.870% HG3 GLU- 18 - HN THR 46 7.143% * 0.8682% (1.00 0.02 0.02) = 0.868% HG3 GLU- 109 - HN THR 46 7.143% * 0.8398% (0.96 0.02 0.02) = 0.840% HG3 MET 118 - HN THR 46 7.143% * 0.8231% (0.94 0.02 0.02) = 0.823% HG3 MET 126 - HN THR 46 7.143% * 0.8033% (0.92 0.02 0.02) = 0.803% HB3 PRO 52 - HN THR 46 7.143% * 0.7548% (0.87 0.02 0.02) = 0.755% HG3 GLU- 54 - HN THR 46 7.143% * 0.5278% (0.61 0.02 0.02) = 0.528% HB2 LYS+ 113 - HN THR 46 7.143% * 0.3901% (0.45 0.02 0.02) = 0.390% HG2 MET 126 - HN THR 46 7.143% * 0.2419% (0.28 0.02 0.02) = 0.242% HB VAL 99 - HN THR 46 7.143% * 0.1178% (0.14 0.02 0.02) = 0.118% Peak 715 (1.31, 7.79, 118.77 ppm): 5 chemical-shift based assignments, quality = 0.796, support = 2.59, residual support = 5.04: * QG2 THR 46 - HN THR 46 20.000% * 56.6568% (0.92 3.24 8.34) = 56.657% kept HG LEU 74 - HN THR 46 20.000% * 28.6443% (0.70 2.16 0.82) = 28.644% kept HB3 LEU 74 - HN THR 46 20.000% * 8.7848% (0.37 1.24 0.82) = 8.785% kept HB2 LYS+ 55 - HN THR 46 20.000% * 5.5976% (0.73 0.41 0.02) = 5.598% kept QB ALA 103 - HN THR 46 20.000% * 0.3166% (0.83 0.02 0.02) = 0.317% Peak 716 (3.87, 7.79, 118.77 ppm): 10 chemical-shift based assignments, quality = 0.605, support = 1.81, residual support = 1.17: * HA LYS+ 44 - HN THR 46 10.000% * 61.7723% (0.66 2.41 1.27) = 61.772% kept HA ILE 48 - HN THR 46 10.000% * 22.3506% (0.43 1.34 1.71) = 22.351% kept HD2 PRO 86 - HN THR 46 10.000% * 6.5238% (0.57 0.29 0.02) = 6.524% kept HA VAL 87 - HN THR 46 10.000% * 3.5718% (0.98 0.09 0.02) = 3.572% kept HB2 SER 85 - HN THR 46 10.000% * 3.4470% (0.95 0.09 0.02) = 3.447% kept HB3 SER 88 - HN THR 46 10.000% * 0.7225% (0.92 0.02 0.02) = 0.722% HA VAL 125 - HN THR 46 10.000% * 0.5683% (0.73 0.02 0.02) = 0.568% HD2 PRO 116 - HN THR 46 10.000% * 0.5063% (0.65 0.02 0.02) = 0.506% HD3 PRO 86 - HN THR 46 10.000% * 0.4118% (0.53 0.02 0.02) = 0.412% HB3 SER 77 - HN THR 46 10.000% * 0.1256% (0.16 0.02 0.02) = 0.126% Peak 717 (3.70, 8.24, 118.99 ppm): 8 chemical-shift based assignments, quality = 0.38, support = 2.53, residual support = 6.12: * O HA LYS+ 81 - HN LYS+ 81 12.500% * 94.9684% (0.36 10.0 2.65 6.45) = 94.968% kept HA ILE 48 - HN LYS+ 81 12.500% * 4.0169% (0.88 1.0 0.35 0.02) = 4.017% kept HA LYS+ 81 - HN THR 106 12.500% * 0.4318% (0.32 1.0 0.10 0.02) = 0.432% HA ILE 48 - HN THR 106 12.500% * 0.2004% (0.77 1.0 0.02 0.02) = 0.200% HD2 PRO 52 - HN LYS+ 81 12.500% * 0.1401% (0.54 1.0 0.02 0.02) = 0.140% HD2 PRO 52 - HN THR 106 12.500% * 0.1221% (0.47 1.0 0.02 0.02) = 0.122% HA SER 27 - HN LYS+ 81 12.500% * 0.0642% (0.25 1.0 0.02 0.02) = 0.064% HA SER 27 - HN THR 106 12.500% * 0.0560% (0.21 1.0 0.02 0.02) = 0.056% Peak 718 (1.62, 8.24, 118.99 ppm): 20 chemical-shift based assignments, quality = 0.536, support = 0.579, residual support = 0.278: HG LEU 23 - HN LYS+ 81 5.000% * 35.2652% (0.74 0.69 0.16) = 35.265% kept HD3 LYS+ 32 - HN LYS+ 81 5.000% * 24.1687% (0.43 0.81 0.83) = 24.169% kept HG3 LYS+ 78 - HN LYS+ 81 5.000% * 11.3936% (0.88 0.19 0.02) = 11.394% kept HB3 ARG+ 22 - HN LYS+ 81 5.000% * 8.9826% (0.12 1.09 0.16) = 8.983% kept HD3 LYS+ 32 - HN THR 106 5.000% * 6.9831% (0.37 0.27 0.02) = 6.983% kept HB2 LEU 67 - HN LYS+ 81 5.000% * 1.0951% (0.79 0.02 0.02) = 1.095% kept HB ILE 100 - HN LYS+ 81 5.000% * 1.0951% (0.79 0.02 0.02) = 1.095% kept HG12 ILE 101 - HN LYS+ 81 5.000% * 1.0951% (0.79 0.02 0.02) = 1.095% kept HG3 LYS+ 78 - HN THR 106 5.000% * 1.0620% (0.77 0.02 0.02) = 1.062% kept HG2 LYS+ 110 - HN LYS+ 81 5.000% * 0.9778% (0.71 0.02 0.02) = 0.978% HG12 ILE 101 - HN THR 106 5.000% * 0.9545% (0.69 0.02 0.02) = 0.955% HB ILE 100 - HN THR 106 5.000% * 0.9545% (0.69 0.02 0.02) = 0.955% HB2 LEU 67 - HN THR 106 5.000% * 0.9545% (0.69 0.02 0.02) = 0.955% HG3 LYS+ 110 - HN LYS+ 81 5.000% * 0.9332% (0.68 0.02 0.02) = 0.933% HG LEU 23 - HN THR 106 5.000% * 0.8890% (0.64 0.02 0.02) = 0.889% HG2 LYS+ 110 - HN THR 106 5.000% * 0.8522% (0.62 0.02 0.02) = 0.852% HG3 LYS+ 110 - HN THR 106 5.000% * 0.8134% (0.59 0.02 0.02) = 0.813% HB3 LEU 17 - HN LYS+ 81 5.000% * 0.7407% (0.54 0.02 0.02) = 0.741% HB3 LEU 17 - HN THR 106 5.000% * 0.6455% (0.47 0.02 0.02) = 0.646% HB3 ARG+ 22 - HN THR 106 5.000% * 0.1440% (0.10 0.02 0.02) = 0.144% Peak 719 (7.54, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.669, support = 2.73, residual support = 6.68: * T HN ASP- 82 - HN LYS+ 81 16.667% * 99.0517% (0.68 10.00 2.76 6.74) = 99.052% kept T HN ASP- 82 - HN THR 106 16.667% * 0.8633% (0.59 10.00 0.02 0.02) = 0.863% HD22 ASN 119 - HN LYS+ 81 16.667% * 0.0227% (0.15 1.00 0.02 0.02) = 0.023% HN VAL 65 - HN LYS+ 81 16.667% * 0.0227% (0.15 1.00 0.02 0.02) = 0.023% HD22 ASN 119 - HN THR 106 16.667% * 0.0198% (0.13 1.00 0.02 0.02) = 0.020% HN VAL 65 - HN THR 106 16.667% * 0.0198% (0.13 1.00 0.02 0.02) = 0.020% Peak 720 (8.57, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.501, support = 2.93, residual support = 9.63: * T HN VAL 80 - HN LYS+ 81 16.667% * 87.3721% (0.50 10.00 3.23 11.00) = 87.372% kept HN VAL 73 - HN LYS+ 81 16.667% * 6.8927% (0.64 1.00 1.23 0.28) = 6.893% kept HN THR 39 - HN LYS+ 81 16.667% * 2.1076% (0.46 1.00 0.52 0.02) = 2.108% kept HN VAL 73 - HN THR 106 16.667% * 1.7777% (0.60 1.00 0.34 0.02) = 1.778% kept HN THR 39 - HN THR 106 16.667% * 1.0291% (0.43 1.00 0.27 0.02) = 1.029% kept T HN VAL 80 - HN THR 106 16.667% * 0.8208% (0.47 10.00 0.02 0.02) = 0.821% Peak 725 (7.20, 8.34, 118.74 ppm): 2 chemical-shift based assignments, quality = 0.913, support = 3.65, residual support = 13.0: * HN TRP 51 - HN GLU- 50 50.000% * 62.8950% (0.91 4.31 13.00) = 62.895% kept HH2 TRP 51 - HN GLU- 50 50.000% * 37.1050% (0.91 2.54 13.00) = 37.105% kept Peak 726 (2.35, 8.34, 118.74 ppm): 5 chemical-shift based assignments, quality = 0.817, support = 3.81, residual support = 24.4: * HG3 GLU- 50 - HN GLU- 50 20.000% * 84.9390% (0.86 4.31 28.28) = 84.939% kept HA1 GLY 58 - HN GLU- 50 20.000% * 14.4390% (0.61 1.02 2.63) = 14.439% kept HB2 CYS 121 - HN GLU- 50 20.000% * 0.4507% (0.98 0.02 0.02) = 0.451% HB2 TYR 83 - HN GLU- 50 20.000% * 0.1012% (0.22 0.02 0.02) = 0.101% HB2 LYS+ 78 - HN GLU- 50 20.000% * 0.0702% (0.15 0.02 0.02) = 0.070% Peak 727 (1.73, 8.34, 118.74 ppm): 4 chemical-shift based assignments, quality = 0.977, support = 4.01, residual support = 27.1: * O HB3 GLU- 50 - HN GLU- 50 25.000% * 95.6253% (0.99 10.0 4.13 28.28) = 95.625% kept HB ILE 48 - HN GLU- 50 25.000% * 4.3239% (0.72 1.0 1.25 1.18) = 4.324% kept HB VAL 94 - HN GLU- 50 25.000% * 0.0295% (0.31 1.0 0.02 0.02) = 0.030% HB2 ARG+ 84 - HN GLU- 50 25.000% * 0.0213% (0.22 1.0 0.02 0.02) = 0.021% Peak 728 (2.22, 8.34, 118.74 ppm): 14 chemical-shift based assignments, quality = 0.966, support = 4.5, residual support = 26.9: * O HB2 GLU- 50 - HN GLU- 50 7.143% * 94.8427% (0.99 10.0 4.71 28.28) = 94.843% kept HB3 PRO 52 - HN GLU- 50 7.143% * 2.7228% (0.83 1.0 0.69 0.02) = 2.723% kept HA1 GLY 58 - HN GLU- 50 7.143% * 1.7374% (0.35 1.0 1.02 2.63) = 1.737% kept HG3 GLU- 107 - HN GLU- 50 7.143% * 0.0946% (0.99 1.0 0.02 0.02) = 0.095% HG3 GLU- 18 - HN GLU- 50 7.143% * 0.0940% (0.98 1.0 0.02 0.14) = 0.094% HG3 GLU- 109 - HN GLU- 50 7.143% * 0.0930% (0.97 1.0 0.02 0.02) = 0.093% HG3 MET 126 - HN GLU- 50 7.143% * 0.0897% (0.94 1.0 0.02 0.02) = 0.090% HG3 MET 118 - HN GLU- 50 7.143% * 0.0876% (0.91 1.0 0.02 0.02) = 0.088% HG3 GLU- 54 - HN GLU- 50 7.143% * 0.0614% (0.64 1.0 0.02 0.23) = 0.061% HG3 GLU- 75 - HN GLU- 50 7.143% * 0.0575% (0.60 1.0 0.02 0.02) = 0.058% HB2 LYS+ 113 - HN GLU- 50 7.143% * 0.0462% (0.48 1.0 0.02 0.02) = 0.046% HG2 MET 126 - HN GLU- 50 7.143% * 0.0293% (0.31 1.0 0.02 0.02) = 0.029% HG2 GLU- 56 - HN GLU- 50 7.143% * 0.0293% (0.31 1.0 0.02 0.02) = 0.029% HB VAL 99 - HN GLU- 50 7.143% * 0.0146% (0.15 1.0 0.02 0.02) = 0.015% Peak 729 (4.46, 8.34, 118.74 ppm): 9 chemical-shift based assignments, quality = 0.949, support = 4.28, residual support = 28.1: * O HA GLU- 50 - HN GLU- 50 11.111% * 99.4546% (0.95 10.0 4.31 28.28) = 99.455% kept HA ILE 101 - HN GLU- 50 11.111% * 0.1028% (0.99 1.0 0.02 0.02) = 0.103% HA ILE 100 - HN GLU- 50 11.111% * 0.1021% (0.98 1.0 0.02 0.02) = 0.102% HA PRO 86 - HN GLU- 50 11.111% * 0.0995% (0.95 1.0 0.02 0.37) = 0.099% HA LYS+ 32 - HN GLU- 50 11.111% * 0.0951% (0.91 1.0 0.02 0.02) = 0.095% HA VAL 99 - HN GLU- 50 11.111% * 0.0894% (0.86 1.0 0.02 0.02) = 0.089% HB THR 24 - HN GLU- 50 11.111% * 0.0204% (0.20 1.0 0.02 0.41) = 0.020% HA LYS+ 111 - HN GLU- 50 11.111% * 0.0180% (0.17 1.0 0.02 0.02) = 0.018% HA ASN 76 - HN GLU- 50 11.111% * 0.0180% (0.17 1.0 0.02 0.02) = 0.018% Peak 730 (3.96, 8.34, 118.74 ppm): 7 chemical-shift based assignments, quality = 0.647, support = 0.949, residual support = 1.07: HA LYS+ 44 - HN GLU- 50 14.286% * 55.3524% (0.97 0.42 1.17) = 55.352% kept HA ILE 48 - HN GLU- 50 14.286% * 36.2989% (0.13 1.98 1.18) = 36.299% kept HA ALA 93 - HN GLU- 50 14.286% * 2.6867% (0.98 0.02 0.02) = 2.687% kept HB3 SER 77 - HN GLU- 50 14.286% * 2.6200% (0.96 0.02 0.02) = 2.620% kept HA1 GLY 114 - HN GLU- 50 14.286% * 1.5347% (0.56 0.02 0.02) = 1.535% kept HB THR 95 - HN GLU- 50 14.286% * 0.7537% (0.27 0.02 0.02) = 0.754% HA1 GLY 92 - HN GLU- 50 14.286% * 0.7537% (0.27 0.02 0.02) = 0.754% Peak 731 (8.33, 8.34, 118.74 ppm): 1 diagonal assignment: * HN GLU- 50 - HN GLU- 50 (0.83) kept Peak 732 (4.07, 8.34, 118.74 ppm): 6 chemical-shift based assignments, quality = 0.943, support = 2.67, residual support = 4.69: * HB2 SER 49 - HN GLU- 50 16.667% * 88.6275% (0.97 2.96 5.15) = 88.627% kept HA LYS+ 44 - HN GLU- 50 16.667% * 10.3767% (0.81 0.42 1.17) = 10.377% kept HA LYS+ 63 - HN GLU- 50 16.667% * 0.5095% (0.83 0.02 0.02) = 0.510% HB3 SER 85 - HN GLU- 50 16.667% * 0.2081% (0.34 0.02 0.02) = 0.208% HB3 SER 77 - HN GLU- 50 16.667% * 0.1841% (0.30 0.02 0.02) = 0.184% HA ALA 70 - HN GLU- 50 16.667% * 0.0941% (0.15 0.02 0.02) = 0.094% Peak 733 (1.52, 8.24, 118.79 ppm): 21 chemical-shift based assignments, quality = 0.517, support = 1.5, residual support = 4.71: * QG2 VAL 80 - HN LYS+ 81 4.762% * 39.8478% (0.54 2.54 11.00) = 39.848% kept HG3 LYS+ 72 - HN LYS+ 81 4.762% * 19.0421% (0.77 0.85 0.31) = 19.042% kept HB2 LYS+ 72 - HN LYS+ 81 4.762% * 16.7728% (0.68 0.85 0.31) = 16.773% kept HG LEU 74 - HN LYS+ 81 4.762% * 6.9091% (0.16 1.47 2.21) = 6.909% kept HB3 LEU 23 - HN LYS+ 81 4.762% * 4.0088% (0.25 0.56 0.16) = 4.009% kept HG LEU 74 - HN THR 106 4.762% * 2.3093% (0.10 0.77 0.75) = 2.309% kept HG3 LYS+ 72 - HN THR 106 4.762% * 2.2862% (0.49 0.16 0.02) = 2.286% kept HB2 LYS+ 72 - HN THR 106 4.762% * 1.8831% (0.43 0.15 0.02) = 1.883% kept HG3 LYS+ 72 - HN GLU- 45 4.762% * 1.6507% (0.05 1.11 1.28) = 1.651% kept HB2 LYS+ 72 - HN GLU- 45 4.762% * 1.2167% (0.04 0.93 1.28) = 1.217% kept HG LEU 43 - HN GLU- 45 4.762% * 1.0364% (0.06 0.60 0.02) = 1.036% kept QG2 VAL 80 - HN GLU- 45 4.762% * 0.6888% (0.04 0.66 0.58) = 0.689% HG LEU 74 - HN GLU- 45 4.762% * 0.6299% (0.01 2.03 2.69) = 0.630% HG LEU 43 - HN LYS+ 81 4.762% * 0.5170% (0.88 0.02 0.02) = 0.517% HD3 LYS+ 108 - HN LYS+ 81 4.762% * 0.3345% (0.57 0.02 0.02) = 0.334% HG LEU 43 - HN THR 106 4.762% * 0.3299% (0.56 0.02 0.02) = 0.330% HD3 LYS+ 108 - HN THR 106 4.762% * 0.2134% (0.36 0.02 0.02) = 0.213% QG2 VAL 80 - HN THR 106 4.762% * 0.2001% (0.34 0.02 0.02) = 0.200% HB3 LEU 23 - HN THR 106 4.762% * 0.0917% (0.16 0.02 0.02) = 0.092% HD3 LYS+ 108 - HN GLU- 45 4.762% * 0.0222% (0.04 0.02 0.02) = 0.022% HB3 LEU 23 - HN GLU- 45 4.762% * 0.0095% (0.02 0.02 0.02) = 0.010% Peak 734 (4.50, 8.23, 118.79 ppm): 15 chemical-shift based assignments, quality = 0.709, support = 0.768, residual support = 1.11: HA SER 77 - HN LYS+ 81 6.667% * 31.3745% (0.86 0.75 0.02) = 31.375% kept HA ASN 76 - HN LYS+ 81 6.667% * 25.5812% (0.74 0.70 0.14) = 25.581% kept HA CYS 123 - HN LYS+ 81 6.667% * 19.3425% (0.84 0.47 0.02) = 19.342% kept HA LYS+ 55 - HN LYS+ 81 6.667% * 9.1005% (0.69 0.27 0.02) = 9.100% kept * HB THR 46 - HN GLU- 45 6.667% * 8.8355% (0.07 2.61 12.03) = 8.835% kept HB THR 46 - HN LYS+ 81 6.667% * 2.5959% (0.69 0.08 0.02) = 2.596% kept HA LYS+ 55 - HN GLU- 45 6.667% * 1.0328% (0.07 0.31 0.02) = 1.033% kept HA SER 77 - HN THR 106 6.667% * 0.4263% (0.44 0.02 0.02) = 0.426% HA CYS 123 - HN THR 106 6.667% * 0.4179% (0.43 0.02 0.02) = 0.418% HA ASN 76 - HN THR 106 6.667% * 0.3698% (0.38 0.02 0.02) = 0.370% HA LYS+ 55 - HN THR 106 6.667% * 0.3414% (0.35 0.02 0.02) = 0.341% HB THR 46 - HN THR 106 6.667% * 0.3414% (0.35 0.02 0.02) = 0.341% HA SER 77 - HN GLU- 45 6.667% * 0.0844% (0.09 0.02 0.02) = 0.084% HA CYS 123 - HN GLU- 45 6.667% * 0.0828% (0.08 0.02 0.02) = 0.083% HA ASN 76 - HN GLU- 45 6.667% * 0.0732% (0.08 0.02 0.02) = 0.073% Peak 735 (2.25, 8.24, 118.79 ppm): 27 chemical-shift based assignments, quality = 0.751, support = 2.74, residual support = 8.16: * HB VAL 80 - HN LYS+ 81 3.704% * 73.0692% (0.85 3.56 11.00) = 73.069% kept HG2 GLU- 56 - HN LYS+ 81 3.704% * 10.1668% (0.82 0.52 0.02) = 10.167% kept HG3 GLU- 75 - HN LYS+ 81 3.704% * 6.1613% (0.57 0.45 0.02) = 6.161% kept HG3 GLU- 107 - HN THR 106 3.704% * 2.7758% (0.10 1.17 3.56) = 2.776% kept HG3 GLU- 75 - HN THR 106 3.704% * 1.6284% (0.36 0.19 0.02) = 1.628% kept HG2 GLU- 56 - HN GLU- 45 3.704% * 1.2972% (0.05 1.00 0.87) = 1.297% kept HB VAL 80 - HN GLU- 45 3.704% * 1.0128% (0.06 0.74 0.58) = 1.013% kept HG3 GLU- 75 - HN GLU- 45 3.704% * 0.8284% (0.04 0.91 0.02) = 0.828% HA1 GLY 58 - HN GLU- 45 3.704% * 0.8002% (0.02 1.38 3.06) = 0.800% HA1 GLY 58 - HN THR 106 3.704% * 0.7155% (0.23 0.13 0.02) = 0.716% HB VAL 80 - HN THR 106 3.704% * 0.2621% (0.54 0.02 0.02) = 0.262% HG2 GLU- 56 - HN THR 106 3.704% * 0.2507% (0.52 0.02 0.02) = 0.251% HB3 PRO 52 - HN LYS+ 81 3.704% * 0.1750% (0.36 0.02 0.02) = 0.175% HA1 GLY 58 - HN LYS+ 81 3.704% * 0.1747% (0.36 0.02 0.02) = 0.175% HG3 MET 118 - HN LYS+ 81 3.704% * 0.1313% (0.27 0.02 0.02) = 0.131% HB3 PRO 52 - HN THR 106 3.704% * 0.1116% (0.23 0.02 0.02) = 0.112% HG3 GLU- 18 - HN LYS+ 81 3.704% * 0.0842% (0.17 0.02 0.02) = 0.084% HG3 MET 118 - HN THR 106 3.704% * 0.0838% (0.17 0.02 0.02) = 0.084% HG3 GLU- 107 - HN LYS+ 81 3.704% * 0.0745% (0.15 0.02 0.02) = 0.075% HB2 GLU- 50 - HN LYS+ 81 3.704% * 0.0657% (0.14 0.02 0.02) = 0.066% HG3 GLU- 18 - HN THR 106 3.704% * 0.0537% (0.11 0.02 0.02) = 0.054% HB2 GLU- 50 - HN THR 106 3.704% * 0.0419% (0.09 0.02 0.02) = 0.042% HB3 PRO 52 - HN GLU- 45 3.704% * 0.0116% (0.02 0.02 0.02) = 0.012% HG3 MET 118 - HN GLU- 45 3.704% * 0.0087% (0.02 0.02 0.02) = 0.009% HG3 GLU- 18 - HN GLU- 45 3.704% * 0.0056% (0.01 0.02 0.02) = 0.006% HG3 GLU- 107 - HN GLU- 45 3.704% * 0.0049% (0.01 0.02 0.02) = 0.005% HB2 GLU- 50 - HN GLU- 45 3.704% * 0.0044% (0.01 0.02 3.68) = 0.004% Peak 737 (2.48, 8.24, 118.79 ppm): 12 chemical-shift based assignments, quality = 0.465, support = 2.11, residual support = 6.07: * O HB3 LYS+ 81 - HN LYS+ 81 8.333% * 94.1695% (0.46 10.0 2.23 6.45) = 94.169% kept HB VAL 40 - HN LYS+ 81 8.333% * 2.1404% (0.87 1.0 0.24 0.02) = 2.140% kept HB VAL 40 - HN THR 106 8.333% * 1.6578% (0.55 1.0 0.30 0.02) = 1.658% kept HA1 GLY 58 - HN GLU- 45 8.333% * 0.7003% (0.05 1.0 1.38 3.06) = 0.700% HA1 GLY 58 - HN THR 106 8.333% * 0.6263% (0.48 1.0 0.13 0.02) = 0.626% HB3 LYS+ 81 - HN THR 106 8.333% * 0.3135% (0.30 1.0 0.10 0.02) = 0.313% HA1 GLY 58 - HN LYS+ 81 8.333% * 0.1529% (0.75 1.0 0.02 0.02) = 0.153% HG3 PRO 35 - HN LYS+ 81 8.333% * 0.1300% (0.64 1.0 0.02 0.02) = 0.130% HG3 PRO 35 - HN THR 106 8.333% * 0.0829% (0.41 1.0 0.02 0.02) = 0.083% HB VAL 40 - HN GLU- 45 8.333% * 0.0116% (0.06 1.0 0.02 0.02) = 0.012% HG3 PRO 35 - HN GLU- 45 8.333% * 0.0086% (0.04 1.0 0.02 0.02) = 0.009% HB3 LYS+ 81 - HN GLU- 45 8.333% * 0.0062% (0.03 1.0 0.02 0.02) = 0.006% Peak 739 (0.94, 8.25, 118.79 ppm): 20 chemical-shift based assignments, quality = 0.551, support = 1.47, residual support = 3.73: * QG1 VAL 105 - HN THR 106 5.000% * 40.9631% (0.72 2.20 7.84) = 40.963% kept HG LEU 74 - HN LYS+ 81 5.000% * 16.2008% (0.42 1.47 2.21) = 16.201% kept QG2 VAL 62 - HN LYS+ 81 5.000% * 15.1932% (0.54 1.09 0.45) = 15.193% kept HG LEU 74 - HN THR 106 5.000% * 9.5037% (0.47 0.77 0.75) = 9.504% kept QG2 VAL 73 - HN LYS+ 81 5.000% * 8.9604% (0.39 0.89 0.28) = 8.960% kept QG2 VAL 73 - HN THR 106 5.000% * 4.2776% (0.44 0.38 0.02) = 4.278% kept HG12 ILE 68 - HN THR 106 5.000% * 1.3973% (0.55 0.10 0.02) = 1.397% kept QD1 LEU 17 - HN THR 106 5.000% * 0.3723% (0.72 0.02 0.02) = 0.372% QG1 VAL 105 - HN LYS+ 81 5.000% * 0.3332% (0.64 0.02 0.02) = 0.333% QD1 LEU 17 - HN LYS+ 81 5.000% * 0.3325% (0.64 0.02 0.02) = 0.332% HG12 ILE 29 - HN THR 106 5.000% * 0.3237% (0.62 0.02 0.02) = 0.324% QG2 VAL 62 - HN THR 106 5.000% * 0.3117% (0.60 0.02 0.02) = 0.312% HG12 ILE 29 - HN LYS+ 81 5.000% * 0.2890% (0.56 0.02 0.02) = 0.289% QG2 ILE 29 - HN THR 106 5.000% * 0.2852% (0.55 0.02 0.02) = 0.285% QG2 ILE 29 - HN LYS+ 81 5.000% * 0.2546% (0.49 0.02 0.02) = 0.255% HG12 ILE 68 - HN LYS+ 81 5.000% * 0.2546% (0.49 0.02 0.02) = 0.255% HG3 LYS+ 63 - HN THR 106 5.000% * 0.2414% (0.47 0.02 0.02) = 0.241% HG3 LYS+ 63 - HN LYS+ 81 5.000% * 0.2155% (0.42 0.02 0.02) = 0.216% QG2 VAL 99 - HN THR 106 5.000% * 0.1534% (0.30 0.02 0.02) = 0.153% QG2 VAL 99 - HN LYS+ 81 5.000% * 0.1370% (0.26 0.02 0.02) = 0.137% 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): 9 chemical-shift based assignments, quality = 0.883, support = 0.929, residual support = 0.549: HG2 PRO 59 - HN VAL 65 11.111% * 49.4816% (0.99 1.46 1.07) = 49.482% kept QG2 ILE 48 - HN VAL 65 11.111% * 16.6909% (0.83 0.58 0.02) = 16.691% kept HG LEU 67 - HN VAL 65 11.111% * 13.8897% (0.98 0.41 0.02) = 13.890% kept HG12 ILE 19 - HN VAL 65 11.111% * 6.9929% (0.49 0.42 0.02) = 6.993% kept QG2 VAL 94 - HN VAL 65 11.111% * 4.3802% (0.53 0.24 0.02) = 4.380% kept QG2 ILE 101 - HN VAL 65 11.111% * 4.2890% (0.92 0.14 0.29) = 4.289% kept QD1 ILE 19 - HN VAL 65 11.111% * 3.4837% (0.61 0.17 0.02) = 3.484% kept QD1 ILE 68 - HN VAL 65 11.111% * 0.5352% (0.20 0.08 0.02) = 0.535% QG2 VAL 40 - HN VAL 65 11.111% * 0.2568% (0.37 0.02 0.02) = 0.257% Peak 743 (2.00, 7.57, 118.56 ppm): 13 chemical-shift based assignments, quality = 0.705, support = 1.52, residual support = 5.06: * HG2 GLU- 64 - HN VAL 65 7.692% * 54.4848% (0.65 2.33 8.83) = 54.485% kept HG2 PRO 86 - HN VAL 65 7.692% * 23.7076% (0.90 0.73 0.98) = 23.708% kept HB2 GLU- 18 - HN VAL 65 7.692% * 9.6974% (0.73 0.37 0.02) = 9.697% kept HB2 LYS+ 108 - HN VAL 65 7.692% * 9.6856% (0.73 0.37 0.10) = 9.686% kept HB VAL 105 - HN VAL 65 7.692% * 0.5786% (0.80 0.02 0.02) = 0.579% HG2 PRO 116 - HN VAL 65 7.692% * 0.3517% (0.49 0.02 0.02) = 0.352% HB3 PRO 112 - HN VAL 65 7.692% * 0.3239% (0.45 0.02 0.02) = 0.324% HB2 PRO 112 - HN VAL 65 7.692% * 0.2712% (0.37 0.02 0.02) = 0.271% HB2 LYS+ 44 - HN VAL 65 7.692% * 0.2009% (0.28 0.02 0.02) = 0.201% HB3 PRO 31 - HN VAL 65 7.692% * 0.2009% (0.28 0.02 0.02) = 0.201% HG3 PRO 104 - HN VAL 65 7.692% * 0.1802% (0.25 0.02 0.02) = 0.180% HB3 GLU- 75 - HN VAL 65 7.692% * 0.1741% (0.24 0.02 0.02) = 0.174% HB VAL 73 - HN VAL 65 7.692% * 0.1430% (0.20 0.02 0.02) = 0.143% Peak 744 (7.39, 7.57, 118.56 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 1.92, residual support = 8.83: * T HN GLU- 64 - HN VAL 65 50.000% * 99.9777% (0.92 10.00 1.92 8.83) = 99.978% kept HE22 GLN 102 - HN VAL 65 50.000% * 0.0223% (0.20 1.00 0.02 0.02) = 0.022% Peak 745 (4.19, 7.57, 118.56 ppm): 9 chemical-shift based assignments, quality = 0.994, support = 2.64, residual support = 8.79: * O HA GLU- 64 - HN VAL 65 11.111% * 99.5213% (1.00 10.0 2.66 8.83) = 99.521% kept HB3 SER 49 - HN VAL 65 11.111% * 0.1190% (0.25 1.0 0.10 0.02) = 0.119% HA ASP- 82 - HN VAL 65 11.111% * 0.0893% (0.90 1.0 0.02 0.02) = 0.089% HA MET 126 - HN VAL 65 11.111% * 0.0893% (0.90 1.0 0.02 0.02) = 0.089% HA GLU- 109 - HN VAL 65 11.111% * 0.0644% (0.65 1.0 0.02 0.02) = 0.064% HA VAL 73 - HN VAL 65 11.111% * 0.0484% (0.49 1.0 0.02 0.02) = 0.048% HA LYS+ 44 - HN VAL 65 11.111% * 0.0265% (0.27 1.0 0.02 0.02) = 0.027% HA LYS+ 110 - HN VAL 65 11.111% * 0.0222% (0.22 1.0 0.02 0.02) = 0.022% HA ALA 42 - HN VAL 65 11.111% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% Peak 746 (4.24, 7.57, 118.56 ppm): 13 chemical-shift based assignments, quality = 0.872, support = 1.04, residual support = 0.59: HA PRO 59 - HN VAL 65 7.692% * 53.3937% (0.96 1.59 1.07) = 53.394% kept HA SER 49 - HN VAL 65 7.692% * 15.7162% (0.80 0.56 0.02) = 15.716% kept HA LYS+ 108 - HN VAL 65 7.692% * 13.8905% (0.94 0.42 0.10) = 13.891% kept HA GLU- 18 - HN VAL 65 7.692% * 8.5180% (0.76 0.32 0.02) = 8.518% kept HA GLU- 56 - HN VAL 65 7.692% * 5.2256% (0.61 0.25 0.02) = 5.226% kept HB3 SER 49 - HN VAL 65 7.692% * 1.1374% (0.34 0.10 0.02) = 1.137% kept HA GLU- 54 - HN VAL 65 7.692% * 0.6032% (0.87 0.02 0.02) = 0.603% HA2 GLY 114 - HN VAL 65 7.692% * 0.5049% (0.73 0.02 0.02) = 0.505% HA ALA 42 - HN VAL 65 7.692% * 0.2859% (0.41 0.02 0.02) = 0.286% HA LYS+ 110 - HN VAL 65 7.692% * 0.2610% (0.37 0.02 0.02) = 0.261% HA GLU- 75 - HN VAL 65 7.692% * 0.2610% (0.37 0.02 0.02) = 0.261% HA ARG+ 84 - HN VAL 65 7.692% * 0.1073% (0.15 0.02 0.02) = 0.107% HA LYS+ 44 - HN VAL 65 7.692% * 0.0956% (0.14 0.02 0.02) = 0.096% Peak 747 (2.10, 7.57, 118.56 ppm): 11 chemical-shift based assignments, quality = 0.969, support = 0.976, residual support = 0.882: * O HB VAL 65 - HN VAL 65 9.091% * 93.2057% (1.00 10.0 1.00 0.94) = 93.206% kept HB VAL 87 - HN VAL 65 9.091% * 3.3393% (1.00 1.0 0.36 0.02) = 3.339% kept HA1 GLY 58 - HN VAL 65 9.091% * 2.3458% (0.19 1.0 1.36 0.14) = 2.346% kept HB3 GLU- 75 - HN VAL 65 9.091% * 0.1860% (1.00 1.0 0.02 0.02) = 0.186% HB VAL 125 - HN VAL 65 9.091% * 0.1617% (0.87 1.0 0.02 0.02) = 0.162% HB2 LEU 43 - HN VAL 65 9.091% * 0.1557% (0.83 1.0 0.02 0.02) = 0.156% HB2 LYS+ 110 - HN VAL 65 9.091% * 0.1425% (0.76 1.0 0.02 0.02) = 0.142% HB3 LEU 43 - HN VAL 65 9.091% * 0.1425% (0.76 1.0 0.02 0.02) = 0.142% HG3 GLU- 56 - HN VAL 65 9.091% * 0.1354% (0.73 1.0 0.02 0.02) = 0.135% HD3 LYS+ 110 - HN VAL 65 9.091% * 0.1280% (0.69 1.0 0.02 0.02) = 0.128% HB3 LYS+ 120 - HN VAL 65 9.091% * 0.0575% (0.31 1.0 0.02 0.02) = 0.058% Peak 748 (2.31, 7.57, 118.56 ppm): 5 chemical-shift based assignments, quality = 0.857, support = 2.08, residual support = 4.33: * HG3 GLU- 64 - HN VAL 65 20.000% * 43.9367% (0.96 2.74 8.83) = 43.937% kept HB3 PRO 86 - HN VAL 65 20.000% * 26.6839% (0.94 1.70 0.98) = 26.684% kept HB2 PRO 86 - HN VAL 65 20.000% * 17.3397% (0.69 1.52 0.98) = 17.340% kept HA1 GLY 58 - HN VAL 65 20.000% * 11.9031% (0.53 1.36 0.14) = 11.903% kept HB2 TYR 83 - HN VAL 65 20.000% * 0.1366% (0.41 0.02 0.02) = 0.137% Peak 749 (2.44, 8.21, 118.40 ppm): 3 chemical-shift based assignments, quality = 0.891, support = 5.1, residual support = 30.5: * HG3 GLU- 45 - HN GLU- 45 33.333% * 51.1010% (0.99 5.62 33.54) = 51.101% kept HG2 GLU- 45 - HN GLU- 45 33.333% * 38.9901% (0.79 5.35 33.54) = 38.990% kept HA1 GLY 58 - HN GLU- 45 33.333% * 9.9089% (0.78 1.38 3.06) = 9.909% kept Peak 750 (0.94, 8.21, 118.40 ppm): 10 chemical-shift based assignments, quality = 0.717, support = 1.24, residual support = 1.05: HG LEU 74 - HN GLU- 45 10.000% * 26.6527% (0.65 2.03 2.69) = 26.653% kept HG12 ILE 29 - HN GLU- 45 10.000% * 18.1558% (0.89 1.02 0.81) = 18.156% kept QG2 ILE 29 - HN GLU- 45 10.000% * 17.0687% (0.79 1.07 0.81) = 17.069% kept QG2 VAL 73 - HN GLU- 45 10.000% * 15.6564% (0.56 1.39 0.11) = 15.656% kept QG2 VAL 62 - HN GLU- 45 10.000% * 8.9534% (0.86 0.52 0.34) = 8.953% kept HG3 LYS+ 63 - HN GLU- 45 10.000% * 8.7056% (0.68 0.64 0.02) = 8.706% kept QG2 VAL 99 - HN GLU- 45 10.000% * 2.5835% (0.44 0.29 0.02) = 2.584% kept HG12 ILE 68 - HN GLU- 45 10.000% * 1.4343% (0.79 0.09 0.02) = 1.434% kept QG1 VAL 105 - HN GLU- 45 10.000% * 0.3960% (0.99 0.02 0.02) = 0.396% QD1 LEU 17 - HN GLU- 45 10.000% * 0.3934% (0.98 0.02 0.02) = 0.393% Peak 751 (2.26, 8.21, 118.40 ppm): 5 chemical-shift based assignments, quality = 0.64, support = 1.0, residual support = 1.23: HB VAL 80 - HN GLU- 45 20.000% * 31.7211% (0.95 0.74 0.58) = 31.721% kept HG2 GLU- 56 - HN GLU- 45 20.000% * 28.4732% (0.64 1.00 0.87) = 28.473% kept HA1 GLY 58 - HN GLU- 45 20.000% * 25.9692% (0.42 1.38 3.06) = 25.969% kept HG3 GLU- 75 - HN GLU- 45 20.000% * 13.6817% (0.34 0.91 0.02) = 13.682% kept HB3 PRO 52 - HN GLU- 45 20.000% * 0.1548% (0.17 0.02 0.02) = 0.155% Peak 752 (1.49, 8.21, 118.40 ppm): 7 chemical-shift based assignments, quality = 0.538, support = 1.07, residual support = 1.1: HB2 LYS+ 72 - HN GLU- 45 14.286% * 24.1636% (0.68 0.93 1.28) = 24.164% kept HG3 LYS+ 72 - HN GLU- 45 14.286% * 23.8043% (0.56 1.11 1.28) = 23.804% kept QB ALA 70 - HN GLU- 45 14.286% * 21.4659% (0.79 0.71 0.13) = 21.466% kept HG LEU 74 - HN GLU- 45 14.286% * 17.0702% (0.22 2.03 2.69) = 17.070% kept * HB3 LEU 67 - HN GLU- 45 14.286% * 6.5228% (0.25 0.69 0.02) = 6.523% kept HG LEU 43 - HN GLU- 45 14.286% * 6.3668% (0.27 0.60 0.02) = 6.367% kept HD3 LYS+ 108 - HN GLU- 45 14.286% * 0.6065% (0.79 0.02 0.02) = 0.606% Peak 753 (7.79, 8.22, 118.40 ppm): 4 chemical-shift based assignments, quality = 0.875, support = 4.08, residual support = 9.6: * T HN THR 46 - HN GLU- 45 25.000% * 79.0298% (0.94 10.00 4.99 12.03) = 79.030% kept T HN ALA 93 - HN GLU- 45 25.000% * 18.0554% (0.61 10.00 0.70 0.44) = 18.055% kept HN VAL 87 - HN GLU- 45 25.000% * 2.5413% (0.94 1.00 0.64 0.28) = 2.541% kept HN LYS+ 55 - HN GLU- 45 25.000% * 0.3735% (0.29 1.00 0.31 0.02) = 0.373% Peak 754 (7.90, 8.21, 118.40 ppm): 2 chemical-shift based assignments, quality = 0.711, support = 3.31, residual support = 22.1: * T HN LYS+ 44 - HN GLU- 45 50.000% * 99.9276% (0.71 10.00 3.32 22.09) = 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): 16 chemical-shift based assignments, quality = 0.798, support = 5.43, residual support = 31.6: * O HB3 GLU- 45 - HN GLU- 45 6.250% * 71.5754% (0.91 10.0 5.83 33.54) = 71.575% kept O HB2 GLU- 45 - HN GLU- 45 6.250% * 15.3444% (0.20 10.0 6.12 33.54) = 15.344% kept HB2 LYS+ 44 - HN GLU- 45 6.250% * 10.9739% (0.99 1.0 2.83 22.09) = 10.974% kept HB3 GLU- 75 - HN GLU- 45 6.250% * 1.4224% (0.44 1.0 0.82 0.02) = 1.422% kept HB3 PRO 31 - HN GLU- 45 6.250% * 0.0775% (0.99 1.0 0.02 0.02) = 0.078% HB2 PRO 112 - HN GLU- 45 6.250% * 0.0760% (0.97 1.0 0.02 0.02) = 0.076% HB3 PRO 112 - HN GLU- 45 6.250% * 0.0733% (0.93 1.0 0.02 0.02) = 0.073% HG2 PRO 116 - HN GLU- 45 6.250% * 0.0716% (0.91 1.0 0.02 0.02) = 0.072% HG2 GLU- 64 - HN GLU- 45 6.250% * 0.0621% (0.79 1.0 0.02 0.02) = 0.062% HB3 GLU- 107 - HN GLU- 45 6.250% * 0.0621% (0.79 1.0 0.02 0.02) = 0.062% HB2 GLU- 18 - HN GLU- 45 6.250% * 0.0563% (0.72 1.0 0.02 0.02) = 0.056% HB VAL 105 - HN GLU- 45 6.250% * 0.0502% (0.64 1.0 0.02 0.02) = 0.050% HB3 LYS+ 110 - HN GLU- 45 6.250% * 0.0502% (0.64 1.0 0.02 0.02) = 0.050% HG2 PRO 86 - HN GLU- 45 6.250% * 0.0408% (0.52 1.0 0.02 0.02) = 0.041% HB VAL 62 - HN GLU- 45 6.250% * 0.0319% (0.41 1.0 0.02 0.34) = 0.032% HG3 PRO 86 - HN GLU- 45 6.250% * 0.0319% (0.41 1.0 0.02 0.02) = 0.032% 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): 3 chemical-shift based assignments, quality = 0.856, support = 5.08, residual support = 30.6: HG2 GLU- 45 - HN GLU- 45 33.333% * 49.0420% (0.96 5.35 33.54) = 49.042% kept * HG3 GLU- 45 - HN GLU- 45 33.333% * 41.2120% (0.77 5.62 33.54) = 41.212% kept HA1 GLY 58 - HN GLU- 45 33.333% * 9.7460% (0.74 1.38 3.06) = 9.746% kept Peak 761 (0.93, 8.22, 118.42 ppm): 12 chemical-shift based assignments, quality = 0.622, support = 1.28, residual support = 1.01: HG LEU 74 - HN GLU- 45 8.333% * 25.9862% (0.62 2.03 2.69) = 25.986% kept QG2 VAL 73 - HN GLU- 45 8.333% * 18.7636% (0.66 1.39 0.11) = 18.764% kept HG12 ILE 29 - HN GLU- 45 8.333% * 16.0125% (0.77 1.02 0.81) = 16.012% kept QG2 ILE 29 - HN GLU- 45 8.333% * 14.4634% (0.66 1.07 0.81) = 14.463% kept QG2 VAL 62 - HN GLU- 45 8.333% * 7.7918% (0.73 0.52 0.34) = 7.792% kept HG3 LYS+ 63 - HN GLU- 45 8.333% * 7.0876% (0.54 0.64 0.02) = 7.088% kept QG2 VAL 87 - HN GLU- 45 8.333% * 4.6190% (0.15 1.53 0.28) = 4.619% kept QG2 VAL 99 - HN GLU- 45 8.333% * 1.9416% (0.33 0.29 0.02) = 1.942% kept HG13 ILE 68 - HN GLU- 45 8.333% * 1.3390% (0.17 0.39 0.02) = 1.339% kept HG12 ILE 68 - HN GLU- 45 8.333% * 1.2154% (0.66 0.09 0.02) = 1.215% kept QD1 LEU 17 - HN GLU- 45 8.333% * 0.3912% (0.95 0.02 0.02) = 0.391% QG1 VAL 105 - HN GLU- 45 8.333% * 0.3886% (0.95 0.02 0.02) = 0.389% Peak 762 (1.49, 8.22, 118.42 ppm): 7 chemical-shift based assignments, quality = 0.497, support = 1.07, residual support = 1.04: QB ALA 70 - HN GLU- 45 14.286% * 26.7541% (0.88 0.71 0.13) = 26.754% kept HB2 LYS+ 72 - HN GLU- 45 14.286% * 20.0090% (0.50 0.93 1.28) = 20.009% kept HG LEU 74 - HN GLU- 45 14.286% * 19.0697% (0.22 2.03 2.69) = 19.070% kept HG3 LYS+ 72 - HN GLU- 45 14.286% * 18.6877% (0.39 1.11 1.28) = 18.688% kept * HB3 LEU 67 - HN GLU- 45 14.286% * 10.6142% (0.36 0.69 0.02) = 10.614% kept HG LEU 43 - HN GLU- 45 14.286% * 4.3356% (0.17 0.60 0.02) = 4.336% kept HD3 LYS+ 108 - HN GLU- 45 14.286% * 0.5297% (0.62 0.02 0.02) = 0.530% Peak 763 (4.22, 8.22, 118.42 ppm): 12 chemical-shift based assignments, quality = 0.359, support = 3.83, residual support = 14.6: O HA LYS+ 44 - HN GLU- 45 8.333% * 66.1190% (0.18 10.0 5.44 22.09) = 66.119% kept * HA ALA 42 - HN GLU- 45 8.333% * 12.5034% (0.95 1.0 0.73 0.02) = 12.503% kept HA SER 49 - HN GLU- 45 8.333% * 8.2668% (0.69 1.0 0.66 0.02) = 8.267% kept HA PRO 59 - HN GLU- 45 8.333% * 5.1739% (0.21 1.0 1.34 0.02) = 5.174% kept HA GLU- 54 - HN GLU- 45 8.333% * 3.6413% (0.62 1.0 0.32 0.02) = 3.641% kept HB3 SER 49 - HN GLU- 45 8.333% * 2.0398% (0.96 1.0 0.12 0.02) = 2.040% kept HA GLU- 109 - HN GLU- 45 8.333% * 1.3202% (0.73 1.0 0.10 0.02) = 1.320% kept HA LYS+ 110 - HN GLU- 45 8.333% * 0.3463% (0.95 1.0 0.02 0.02) = 0.346% HA GLU- 18 - HN GLU- 45 8.333% * 0.2652% (0.73 1.0 0.02 0.02) = 0.265% HA ASP- 82 - HN GLU- 45 8.333% * 0.1689% (0.47 1.0 0.02 0.02) = 0.169% HA GLU- 64 - HN GLU- 45 8.333% * 0.0865% (0.24 1.0 0.02 0.02) = 0.087% HA LYS+ 108 - HN GLU- 45 8.333% * 0.0687% (0.19 1.0 0.02 0.02) = 0.069% Peak 764 (2.02, 8.22, 118.42 ppm): 16 chemical-shift based assignments, quality = 0.794, support = 5.49, residual support = 31.8: * O HB3 GLU- 45 - HN GLU- 45 6.250% * 68.7815% (0.94 10.0 5.83 33.54) = 68.782% kept O HB2 GLU- 45 - HN GLU- 45 6.250% * 19.5102% (0.27 10.0 6.12 33.54) = 19.510% kept HB2 LYS+ 44 - HN GLU- 45 6.250% * 9.7348% (0.94 1.0 2.83 22.09) = 9.735% kept HB3 GLU- 75 - HN GLU- 45 6.250% * 1.3736% (0.46 1.0 0.82 0.02) = 1.374% kept HB3 PRO 31 - HN GLU- 45 6.250% * 0.0688% (0.94 1.0 0.02 0.02) = 0.069% HB2 PRO 112 - HN GLU- 45 6.250% * 0.0648% (0.88 1.0 0.02 0.02) = 0.065% HB3 GLU- 107 - HN GLU- 45 6.250% * 0.0629% (0.86 1.0 0.02 0.02) = 0.063% HB3 PRO 112 - HN GLU- 45 6.250% * 0.0609% (0.83 1.0 0.02 0.02) = 0.061% HG2 PRO 116 - HN GLU- 45 6.250% * 0.0586% (0.80 1.0 0.02 0.02) = 0.059% HB3 LYS+ 110 - HN GLU- 45 6.250% * 0.0536% (0.73 1.0 0.02 0.02) = 0.054% HG2 GLU- 64 - HN GLU- 45 6.250% * 0.0482% (0.66 1.0 0.02 0.02) = 0.048% HB2 GLU- 18 - HN GLU- 45 6.250% * 0.0426% (0.58 1.0 0.02 0.02) = 0.043% HB VAL 62 - HN GLU- 45 6.250% * 0.0369% (0.50 1.0 0.02 0.34) = 0.037% HG3 PRO 86 - HN GLU- 45 6.250% * 0.0369% (0.50 1.0 0.02 0.02) = 0.037% HB VAL 105 - HN GLU- 45 6.250% * 0.0369% (0.50 1.0 0.02 0.02) = 0.037% HG2 PRO 86 - HN GLU- 45 6.250% * 0.0288% (0.39 1.0 0.02 0.02) = 0.029% Peak 765 (2.25, 8.22, 118.42 ppm): 6 chemical-shift based assignments, quality = 0.652, support = 0.995, residual support = 1.18: HB VAL 80 - HN GLU- 45 16.667% * 30.4177% (0.95 0.74 0.58) = 30.418% kept HG2 GLU- 56 - HN GLU- 45 16.667% * 29.8414% (0.69 1.00 0.87) = 29.841% kept HA1 GLY 58 - HN GLU- 45 16.667% * 24.0341% (0.40 1.38 3.06) = 24.034% kept HG3 GLU- 75 - HN GLU- 45 16.667% * 15.3959% (0.39 0.91 0.02) = 15.396% kept HB3 PRO 52 - HN GLU- 45 16.667% * 0.1837% (0.21 0.02 0.02) = 0.184% HG3 MET 118 - HN GLU- 45 16.667% * 0.1273% (0.15 0.02 0.02) = 0.127% Peak 766 (4.14, 8.11, 118.45 ppm): 6 chemical-shift based assignments, quality = 0.931, support = 3.3, residual support = 12.7: * O HB2 SER 88 - HN SER 88 16.667% * 97.8304% (0.94 10.0 3.35 13.00) = 97.830% kept HA LYS+ 44 - HN SER 88 16.667% * 1.9526% (0.44 1.0 0.85 0.14) = 1.953% kept HA2 GLY 71 - HN SER 88 16.667% * 0.0903% (0.87 1.0 0.02 0.02) = 0.090% HD2 PRO 59 - HN SER 88 16.667% * 0.0748% (0.72 1.0 0.02 0.02) = 0.075% HA ARG+ 53 - HN SER 88 16.667% * 0.0302% (0.29 1.0 0.02 0.02) = 0.030% HB THR 106 - HN SER 88 16.667% * 0.0218% (0.21 1.0 0.02 0.02) = 0.022% Peak 767 (3.88, 8.11, 118.45 ppm): 11 chemical-shift based assignments, quality = 0.521, support = 2.14, residual support = 11.4: * O HA VAL 87 - HN SER 88 9.091% * 50.1113% (0.53 10.0 2.34 12.42) = 50.111% kept O HB3 SER 88 - HN SER 88 9.091% * 39.6826% (0.42 10.0 2.24 13.00) = 39.683% kept HD2 PRO 116 - HN SER 88 9.091% * 4.0540% (0.94 1.0 0.92 0.24) = 4.054% kept HD2 PRO 86 - HN SER 88 9.091% * 3.2108% (0.92 1.0 0.74 0.02) = 3.211% kept HA LYS+ 44 - HN SER 88 9.091% * 2.6943% (0.68 1.0 0.85 0.14) = 2.694% kept HA VAL 125 - HN SER 88 9.091% * 0.0883% (0.94 1.0 0.02 0.02) = 0.088% HB2 SER 85 - HN SER 88 9.091% * 0.0768% (0.82 1.0 0.02 0.02) = 0.077% HA ILE 48 - HN SER 88 9.091% * 0.0332% (0.35 1.0 0.02 0.02) = 0.033% HB3 SER 77 - HN SER 88 9.091% * 0.0213% (0.23 1.0 0.02 0.02) = 0.021% HB2 SER 77 - HN SER 88 9.091% * 0.0155% (0.17 1.0 0.02 0.02) = 0.016% HD3 PRO 86 - HN SER 88 9.091% * 0.0120% (0.13 1.0 0.02 0.02) = 0.012% 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 = 3.36, residual support = 12.4: * T HN VAL 87 - HN SER 88 25.000% * 99.7904% (0.93 10.00 3.37 12.42) = 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): 4 chemical-shift based assignments, quality = 0.93, support = 1.04, residual support = 0.236: HA PRO 116 - HN SER 88 25.000% * 71.5191% (0.94 1.31 0.24) = 71.519% kept HA ASP- 115 - HN SER 88 25.000% * 22.5592% (0.92 0.42 0.26) = 22.559% kept HA LYS+ 113 - HN SER 88 25.000% * 5.7301% (0.85 0.12 0.02) = 5.730% kept HA VAL 40 - HN SER 88 25.000% * 0.1916% (0.17 0.02 0.02) = 0.192% Reference assignment not found: HA ASN 89 - HN SER 88 Peak 771 (4.39, 8.11, 118.45 ppm): 11 chemical-shift based assignments, quality = 0.939, support = 3.15, residual support = 12.9: * O HA SER 88 - HN SER 88 9.091% * 99.5249% (0.94 10.0 3.16 13.00) = 99.525% kept HA THR 95 - HN SER 88 9.091% * 0.0960% (0.91 1.0 0.02 0.02) = 0.096% HA TRP 51 - HN SER 88 9.091% * 0.0831% (0.79 1.0 0.02 0.02) = 0.083% HA ASN 57 - HN SER 88 9.091% * 0.0604% (0.57 1.0 0.02 0.02) = 0.060% HA ALA 37 - HN SER 88 9.091% * 0.0563% (0.53 1.0 0.02 0.02) = 0.056% HA LYS+ 60 - HN SER 88 9.091% * 0.0484% (0.46 1.0 0.02 0.02) = 0.048% HA THR 24 - HN SER 88 9.091% * 0.0409% (0.39 1.0 0.02 0.02) = 0.041% HA THR 38 - HN SER 88 9.091% * 0.0374% (0.35 1.0 0.02 0.02) = 0.037% HA LYS+ 66 - HN SER 88 9.091% * 0.0197% (0.19 1.0 0.02 0.02) = 0.020% HA CYS 121 - HN SER 88 9.091% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% HA2 GLY 26 - HN SER 88 9.091% * 0.0154% (0.15 1.0 0.02 0.02) = 0.015% Peak 772 (4.90, 8.11, 118.45 ppm): 5 chemical-shift based assignments, quality = 0.534, support = 0.02, residual support = 0.02: HA ALA 33 - HN SER 88 20.000% * 27.7746% (0.65 0.02 0.02) = 27.775% kept HA GLN 102 - HN SER 88 20.000% * 27.7746% (0.65 0.02 0.02) = 27.775% kept HA HIS+ 98 - HN SER 88 20.000% * 21.2734% (0.50 0.02 0.02) = 21.273% kept HA SER 69 - HN SER 88 20.000% * 15.1754% (0.35 0.02 0.02) = 15.175% kept HA ILE 19 - HN SER 88 20.000% * 8.0019% (0.19 0.02 0.02) = 8.002% kept Reference assignment not found: HA ASN 89 - HN SER 88 Not enough support, support cutoff is 0.25 Peak unassigned. Peak 773 (0.91, 8.11, 118.45 ppm): 13 chemical-shift based assignments, quality = 0.833, support = 2.27, residual support = 8.68: * QG2 VAL 87 - HN SER 88 7.692% * 69.8432% (0.87 3.13 12.42) = 69.843% kept QG2 VAL 105 - HN SER 88 7.692% * 6.5477% (0.76 0.34 0.02) = 6.548% kept HG LEU 74 - HN SER 88 7.692% * 5.4394% (0.55 0.38 0.02) = 5.439% kept QD1 LEU 67 - HN SER 88 7.692% * 5.3600% (0.85 0.25 0.02) = 5.360% kept HG13 ILE 68 - HN SER 88 7.692% * 5.3029% (0.89 0.23 0.02) = 5.303% kept QG1 VAL 47 - HN SER 88 7.692% * 5.2279% (0.79 0.26 0.02) = 5.228% kept QG2 VAL 73 - HN SER 88 7.692% * 1.5314% (0.76 0.08 0.02) = 1.531% kept QG1 VAL 80 - HN SER 88 7.692% * 0.1988% (0.39 0.02 0.02) = 0.199% QD1 LEU 17 - HN SER 88 7.692% * 0.1344% (0.26 0.02 0.02) = 0.134% QG1 VAL 122 - HN SER 88 7.692% * 0.1344% (0.26 0.02 0.02) = 0.134% QG1 VAL 105 - HN SER 88 7.692% * 0.1205% (0.24 0.02 0.02) = 0.121% QG2 VAL 47 - HN SER 88 7.692% * 0.0847% (0.17 0.02 0.02) = 0.085% QG2 VAL 125 - HN SER 88 7.692% * 0.0746% (0.15 0.02 0.02) = 0.075% Peak 774 (7.90, 7.90, 118.11 ppm): 1 diagonal assignment: * HN LYS+ 44 - HN LYS+ 44 (0.78) kept Peak 775 (0.76, 7.90, 118.11 ppm): 5 chemical-shift based assignments, quality = 0.744, support = 2.27, residual support = 9.2: * HG3 LYS+ 44 - HN LYS+ 44 20.000% * 77.0795% (0.90 2.34 10.92) = 77.079% kept HG LEU 74 - HN LYS+ 44 20.000% * 18.0538% (0.20 2.52 4.29) = 18.054% kept HG3 LYS+ 66 - HN LYS+ 44 20.000% * 2.6984% (0.37 0.20 0.02) = 2.698% kept QD1 ILE 68 - HN LYS+ 44 20.000% * 1.5959% (0.14 0.31 0.73) = 1.596% kept HG12 ILE 100 - HN LYS+ 44 20.000% * 0.5724% (0.78 0.02 0.02) = 0.572% Peak 776 (2.26, 7.90, 118.11 ppm): 4 chemical-shift based assignments, quality = 0.539, support = 1.29, residual support = 1.68: HB VAL 80 - HN LYS+ 44 25.000% * 52.1592% (0.69 1.35 0.90) = 52.159% kept HA1 GLY 58 - HN LYS+ 44 25.000% * 32.4194% (0.40 1.46 3.73) = 32.419% kept HG2 GLU- 56 - HN LYS+ 44 25.000% * 14.2513% (0.34 0.75 0.02) = 14.251% kept HG3 GLU- 75 - HN LYS+ 44 25.000% * 1.1702% (0.14 0.15 0.02) = 1.170% kept Peak 777 (3.52, 7.90, 118.11 ppm): 3 chemical-shift based assignments, quality = 0.384, support = 0.69, residual support = 0.372: HA ILE 48 - HN LYS+ 44 33.333% * 68.8474% (0.42 0.86 0.53) = 68.847% kept HA1 GLY 30 - HN LYS+ 44 33.333% * 17.2860% (0.20 0.45 0.02) = 17.286% kept HB3 SER 69 - HN LYS+ 44 33.333% * 13.8666% (0.44 0.16 0.02) = 13.867% kept Peak 778 (2.08, 7.90, 118.11 ppm): 12 chemical-shift based assignments, quality = 0.644, support = 3.2, residual support = 5.6: * HB2 LEU 43 - HN LYS+ 44 8.333% * 62.8458% (0.85 3.51 6.50) = 62.846% kept HB3 LEU 43 - HN LYS+ 44 8.333% * 20.2358% (0.23 4.29 6.50) = 20.236% kept HA1 GLY 58 - HN LYS+ 44 8.333% * 4.6986% (0.15 1.46 3.73) = 4.699% kept HG3 GLU- 56 - HN LYS+ 44 8.333% * 4.4032% (0.20 1.05 0.02) = 4.403% kept HB VAL 87 - HN LYS+ 44 8.333% * 3.1819% (0.62 0.24 0.96) = 3.182% kept HB3 GLU- 75 - HN LYS+ 44 8.333% * 2.7917% (0.89 0.15 0.02) = 2.792% kept HD3 LYS+ 110 - HN LYS+ 44 8.333% * 0.3776% (0.90 0.02 0.02) = 0.378% HB2 LYS+ 110 - HN LYS+ 44 8.333% * 0.3709% (0.89 0.02 0.02) = 0.371% HB VAL 125 - HN LYS+ 44 8.333% * 0.3493% (0.83 0.02 0.02) = 0.349% HB3 LYS+ 120 - HN LYS+ 44 8.333% * 0.3161% (0.75 0.02 0.02) = 0.316% HB VAL 65 - HN LYS+ 44 8.333% * 0.2448% (0.58 0.02 0.02) = 0.245% HG3 ARG+ 53 - HN LYS+ 44 8.333% * 0.1842% (0.44 0.02 0.02) = 0.184% Peak 779 (8.20, 7.90, 118.11 ppm): 6 chemical-shift based assignments, quality = 0.616, support = 3.25, residual support = 21.6: * T HN GLU- 45 - HN LYS+ 44 16.667% * 97.8701% (0.62 10.00 3.32 22.09) = 97.870% kept HN ASN 119 - HN LYS+ 44 16.667% * 1.1153% (0.78 1.00 0.18 0.02) = 1.115% kept HN VAL 105 - HN LYS+ 44 16.667% * 0.6773% (0.41 1.00 0.21 0.02) = 0.677% HN LYS+ 117 - HN LYS+ 44 16.667% * 0.1412% (0.90 1.00 0.02 0.02) = 0.141% HN ALA 33 - HN LYS+ 44 16.667% * 0.1375% (0.87 1.00 0.02 0.02) = 0.138% HN VAL 94 - HN LYS+ 44 16.667% * 0.0586% (0.37 1.00 0.02 0.49) = 0.059% Peak 780 (1.48, 7.90, 118.11 ppm): 6 chemical-shift based assignments, quality = 0.577, support = 1.56, residual support = 1.09: QB ALA 70 - HN LYS+ 44 16.667% * 44.6454% (0.88 1.68 0.80) = 44.645% kept HG LEU 74 - HN LYS+ 44 16.667% * 16.0867% (0.21 2.52 4.29) = 16.087% kept HB3 LEU 67 - HN LYS+ 44 16.667% * 16.0828% (0.50 1.07 0.21) = 16.083% kept HB2 LYS+ 72 - HN LYS+ 44 16.667% * 11.1633% (0.30 1.23 0.02) = 11.163% kept HG3 LYS+ 72 - HN LYS+ 44 16.667% * 6.8937% (0.22 1.04 0.02) = 6.894% kept HD3 LYS+ 108 - HN LYS+ 44 16.667% * 5.1281% (0.40 0.43 0.02) = 5.128% kept Peak 781 (0.91, 7.90, 118.11 ppm): 14 chemical-shift based assignments, quality = 0.67, support = 1.19, residual support = 1.7: HG LEU 74 - HN LYS+ 44 7.143% * 32.1473% (0.53 2.52 4.29) = 32.147% kept QD1 LEU 67 - HN LYS+ 44 7.143% * 12.0776% (0.85 0.58 0.21) = 12.078% kept HG13 ILE 68 - HN LYS+ 44 7.143% * 11.7791% (0.89 0.55 0.73) = 11.779% kept QG2 VAL 87 - HN LYS+ 44 7.143% * 11.2646% (0.87 0.53 0.96) = 11.265% kept QG2 VAL 73 - HN LYS+ 44 7.143% * 11.0473% (0.66 0.69 0.14) = 11.047% kept QG1 VAL 80 - HN LYS+ 44 7.143% * 8.8868% (0.44 0.83 0.90) = 8.887% kept QG2 VAL 105 - HN LYS+ 44 7.143% * 6.3682% (0.78 0.34 0.02) = 6.368% kept QG1 VAL 47 - HN LYS+ 44 7.143% * 3.9421% (0.81 0.20 0.02) = 3.942% kept QG1 VAL 105 - HN LYS+ 44 7.143% * 1.0983% (0.18 0.25 0.02) = 1.098% kept QG2 VAL 47 - HN LYS+ 44 7.143% * 0.9786% (0.20 0.20 0.02) = 0.979% QG1 VAL 122 - HN LYS+ 44 7.143% * 0.1494% (0.31 0.02 0.02) = 0.149% QD1 LEU 17 - HN LYS+ 44 7.143% * 0.0975% (0.20 0.02 0.02) = 0.097% QG2 VAL 125 - HN LYS+ 44 7.143% * 0.0867% (0.18 0.02 0.02) = 0.087% QG1 VAL 40 - HN LYS+ 44 7.143% * 0.0767% (0.16 0.02 0.02) = 0.077% Peak 782 (1.80, 7.90, 118.11 ppm): 13 chemical-shift based assignments, quality = 0.862, support = 2.19, residual support = 10.6: * O HB3 LYS+ 44 - HN LYS+ 44 7.692% * 96.6413% (0.87 10.0 2.25 10.92) = 96.641% kept HG2 PRO 31 - HN LYS+ 44 7.692% * 2.5921% (0.72 1.0 0.65 0.49) = 2.592% kept HB3 LYS+ 108 - HN LYS+ 44 7.692% * 0.1001% (0.90 1.0 0.02 0.02) = 0.100% HB2 LYS+ 117 - HN LYS+ 44 7.692% * 0.0999% (0.90 1.0 0.02 0.02) = 0.100% HB3 LYS+ 113 - HN LYS+ 44 7.692% * 0.0999% (0.90 1.0 0.02 0.02) = 0.100% HB3 LYS+ 117 - HN LYS+ 44 7.692% * 0.0999% (0.90 1.0 0.02 0.02) = 0.100% HB3 LYS+ 63 - HN LYS+ 44 7.692% * 0.0924% (0.83 1.0 0.02 0.02) = 0.092% HB3 PRO 116 - HN LYS+ 44 7.692% * 0.0765% (0.69 1.0 0.02 0.02) = 0.077% HB2 GLU- 109 - HN LYS+ 44 7.692% * 0.0567% (0.51 1.0 0.02 0.02) = 0.057% HD3 LYS+ 72 - HN LYS+ 44 7.692% * 0.0449% (0.41 1.0 0.02 0.02) = 0.045% HB3 ARG+ 53 - HN LYS+ 44 7.692% * 0.0342% (0.31 1.0 0.02 0.02) = 0.034% HB3 GLU- 18 - HN LYS+ 44 7.692% * 0.0342% (0.31 1.0 0.02 0.02) = 0.034% HD3 LYS+ 117 - HN LYS+ 44 7.692% * 0.0278% (0.25 1.0 0.02 0.02) = 0.028% Peak 783 (3.78, 7.90, 118.11 ppm): 4 chemical-shift based assignments, quality = 0.299, support = 3.96, residual support = 9.71: * O HA LYS+ 44 - HN LYS+ 44 25.000% * 88.3947% (0.24 10.0 4.37 10.92) = 88.395% kept HA ILE 48 - HN LYS+ 44 25.000% * 11.3681% (0.73 1.0 0.86 0.53) = 11.368% kept HB3 SER 27 - HN LYS+ 44 25.000% * 0.1724% (0.48 1.0 0.02 0.15) = 0.172% HD3 PRO 112 - HN LYS+ 44 25.000% * 0.0648% (0.18 1.0 0.02 0.02) = 0.065% 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): 15 chemical-shift based assignments, quality = 0.617, support = 3.09, residual support = 11.9: * O HA PRO 59 - HN LYS+ 60 6.667% * 80.4680% (0.60 10.0 3.03 12.16) = 80.468% kept HD3 PRO 59 - HN LYS+ 60 6.667% * 17.2163% (0.68 1.0 3.78 12.16) = 17.216% kept HA GLU- 75 - HN LYS+ 60 6.667% * 1.4130% (0.99 1.0 0.21 0.02) = 1.413% kept HA GLU- 56 - HN LYS+ 60 6.667% * 0.1280% (0.96 1.0 0.02 0.02) = 0.128% HA2 GLY 114 - HN LYS+ 60 6.667% * 0.1190% (0.89 1.0 0.02 0.02) = 0.119% HA ARG+ 84 - HN LYS+ 60 6.667% * 0.1062% (0.80 1.0 0.02 0.02) = 0.106% HA VAL 65 - HN LYS+ 60 6.667% * 0.1014% (0.76 1.0 0.02 0.02) = 0.101% HA SER 85 - HN LYS+ 60 6.667% * 0.0911% (0.68 1.0 0.02 0.02) = 0.091% HA PRO 52 - HN LYS+ 60 6.667% * 0.0911% (0.68 1.0 0.02 0.02) = 0.091% HA LYS+ 108 - HN LYS+ 60 6.667% * 0.0858% (0.64 1.0 0.02 0.02) = 0.086% HA ALA 91 - HN LYS+ 60 6.667% * 0.0858% (0.64 1.0 0.02 0.02) = 0.086% HA THR 106 - HN LYS+ 60 6.667% * 0.0295% (0.22 1.0 0.02 0.02) = 0.030% HA GLU- 54 - HN LYS+ 60 6.667% * 0.0263% (0.20 1.0 0.02 0.02) = 0.026% HA SER 49 - HN LYS+ 60 6.667% * 0.0205% (0.15 1.0 0.02 0.02) = 0.020% HA GLU- 18 - HN LYS+ 60 6.667% * 0.0180% (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 = 4.43, residual support = 12.5: * T HN THR 61 - HN LYS+ 60 50.000% * 99.9795% (0.96 10.00 4.43 12.45) = 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): 9 chemical-shift based assignments, quality = 0.956, support = 3.85, residual support = 11.7: O HB3 PRO 59 - HN LYS+ 60 11.111% * 49.2202% (1.00 10.0 3.58 12.16) = 49.220% kept * O HB2 PRO 59 - HN LYS+ 60 11.111% * 46.5603% (0.94 10.0 4.41 12.16) = 46.560% kept HB2 LYS+ 66 - HN LYS+ 60 11.111% * 2.8843% (0.96 1.0 1.21 1.57) = 2.884% kept HB2 PRO 104 - HN LYS+ 60 11.111% * 0.7502% (0.60 1.0 0.50 0.52) = 0.750% HB3 LYS+ 72 - HN LYS+ 60 11.111% * 0.4809% (0.64 1.0 0.30 0.02) = 0.481% HG3 PRO 112 - HN LYS+ 60 11.111% * 0.0492% (1.00 1.0 0.02 0.02) = 0.049% HD3 LYS+ 117 - HN LYS+ 60 11.111% * 0.0259% (0.52 1.0 0.02 0.29) = 0.026% HD3 LYS+ 72 - HN LYS+ 60 11.111% * 0.0168% (0.34 1.0 0.02 0.02) = 0.017% HB2 GLU- 109 - HN LYS+ 60 11.111% * 0.0123% (0.25 1.0 0.02 0.02) = 0.012% Peak 788 (1.42, 8.83, 118.01 ppm): 11 chemical-shift based assignments, quality = 0.473, support = 3.96, residual support = 13.8: * O HB3 LYS+ 60 - HN LYS+ 60 9.091% * 93.2995% (0.48 10.0 4.16 14.74) = 93.299% kept HG LEU 74 - HN LYS+ 60 9.091% * 5.4151% (0.38 1.0 1.47 0.14) = 5.415% kept HD3 LYS+ 44 - HN LYS+ 60 9.091% * 0.1879% (0.98 1.0 0.02 0.02) = 0.188% HG3 LYS+ 108 - HN LYS+ 60 9.091% * 0.1879% (0.98 1.0 0.02 0.02) = 0.188% QB ALA 37 - HN LYS+ 60 9.091% * 0.1663% (0.86 1.0 0.02 0.02) = 0.166% QG2 THR 38 - HN LYS+ 60 9.091% * 0.1663% (0.86 1.0 0.02 0.02) = 0.166% QB ALA 42 - HN LYS+ 60 9.091% * 0.1535% (0.80 1.0 0.02 0.10) = 0.153% HD3 LYS+ 113 - HN LYS+ 60 9.091% * 0.1465% (0.76 1.0 0.02 0.02) = 0.146% HG3 LYS+ 55 - HN LYS+ 60 9.091% * 0.1392% (0.72 1.0 0.02 0.02) = 0.139% HG LEU 90 - HN LYS+ 60 9.091% * 0.0788% (0.41 1.0 0.02 0.02) = 0.079% HD3 LYS+ 20 - HN LYS+ 60 9.091% * 0.0592% (0.31 1.0 0.02 0.20) = 0.059% Peak 789 (4.37, 8.83, 118.01 ppm): 10 chemical-shift based assignments, quality = 0.979, support = 3.72, residual support = 14.1: * O HA LYS+ 60 - HN LYS+ 60 10.000% * 95.9038% (1.00 10.0 3.85 14.74) = 95.904% kept HA ASN 57 - HN LYS+ 60 10.000% * 1.9576% (0.98 1.0 0.42 0.02) = 1.958% kept HA THR 95 - HN LYS+ 60 10.000% * 1.6480% (0.34 1.0 1.01 0.02) = 1.648% kept HA ALA 37 - HN LYS+ 60 10.000% * 0.0951% (0.99 1.0 0.02 0.02) = 0.095% HA THR 38 - HN LYS+ 60 10.000% * 0.0940% (0.98 1.0 0.02 0.02) = 0.094% HA TRP 51 - HN LYS+ 60 10.000% * 0.0801% (0.83 1.0 0.02 0.02) = 0.080% HA2 GLY 26 - HN LYS+ 60 10.000% * 0.0733% (0.76 1.0 0.02 0.02) = 0.073% HA LYS+ 117 - HN LYS+ 60 10.000% * 0.0620% (0.64 1.0 0.02 0.29) = 0.062% HA SER 88 - HN LYS+ 60 10.000% * 0.0467% (0.48 1.0 0.02 0.02) = 0.047% HA1 GLY 26 - HN LYS+ 60 10.000% * 0.0394% (0.41 1.0 0.02 0.02) = 0.039% Peak 790 (1.57, 8.83, 118.01 ppm): 8 chemical-shift based assignments, quality = 0.967, support = 3.54, residual support = 14.6: * HD3 LYS+ 60 - HN LYS+ 60 12.500% * 49.4634% (0.96 3.64 14.74) = 49.463% kept HG3 LYS+ 60 - HN LYS+ 60 12.500% * 49.4157% (1.00 3.51 14.74) = 49.416% kept HB ILE 19 - HN LYS+ 60 12.500% * 0.2808% (0.99 0.02 0.02) = 0.281% HG LEU 17 - HN LYS+ 60 12.500% * 0.2789% (0.99 0.02 0.02) = 0.279% HB3 LEU 90 - HN LYS+ 60 12.500% * 0.1707% (0.60 0.02 0.02) = 0.171% HB3 LYS+ 32 - HN LYS+ 60 12.500% * 0.1480% (0.52 0.02 0.02) = 0.148% HG13 ILE 29 - HN LYS+ 60 12.500% * 0.1370% (0.48 0.02 0.02) = 0.137% QG2 THR 24 - HN LYS+ 60 12.500% * 0.1056% (0.37 0.02 0.02) = 0.106% Peak 791 (0.70, 8.83, 118.01 ppm): 10 chemical-shift based assignments, quality = 0.935, support = 2.58, residual support = 9.7: * HG2 PRO 59 - HN LYS+ 60 10.000% * 79.6511% (1.00 3.15 12.16) = 79.651% kept QG2 VAL 94 - HN LYS+ 60 10.000% * 8.8607% (0.60 0.58 0.20) = 8.861% kept HG LEU 67 - HN LYS+ 60 10.000% * 5.1938% (0.99 0.21 0.02) = 5.194% kept QG2 ILE 48 - HN LYS+ 60 10.000% * 4.9087% (0.76 0.25 0.02) = 4.909% kept QG2 ILE 101 - HN LYS+ 60 10.000% * 0.4391% (0.86 0.02 0.02) = 0.439% QD1 ILE 19 - HN LYS+ 60 10.000% * 0.3477% (0.68 0.02 0.02) = 0.348% HG12 ILE 19 - HN LYS+ 60 10.000% * 0.2866% (0.56 0.02 0.02) = 0.287% QG2 VAL 40 - HN LYS+ 60 10.000% * 0.1562% (0.31 0.02 0.02) = 0.156% QG1 VAL 62 - HN LYS+ 60 10.000% * 0.0781% (0.15 0.02 0.25) = 0.078% QD1 ILE 68 - HN LYS+ 60 10.000% * 0.0781% (0.15 0.02 0.02) = 0.078% Peak 794 (7.60, 7.61, 117.98 ppm): 1 diagonal assignment: * HN ASP- 25 - HN ASP- 25 (0.96) kept Peak 795 (8.11, 7.61, 117.98 ppm): 3 chemical-shift based assignments, quality = 0.862, support = 2.66, residual support = 7.66: * T HN GLY 26 - HN ASP- 25 33.333% * 99.8220% (0.86 10.00 2.66 7.67) = 99.822% kept HN SER 88 - HN ASP- 25 33.333% * 0.1128% (0.98 1.00 0.02 0.02) = 0.113% HN VAL 122 - HN ASP- 25 33.333% * 0.0652% (0.56 1.00 0.02 0.02) = 0.065% Peak 796 (2.62, 7.61, 117.98 ppm): 6 chemical-shift based assignments, quality = 0.992, support = 3.23, residual support = 23.6: * O HB2 ASP- 25 - HN ASP- 25 16.667% * 99.6725% (1.00 10.0 3.24 23.69) = 99.673% kept HE2 LYS+ 20 - HN ASP- 25 16.667% * 0.0995% (0.99 1.0 0.02 0.02) = 0.099% HA1 GLY 58 - HN ASP- 25 16.667% * 0.0992% (0.99 1.0 0.02 0.02) = 0.099% HB3 ASP- 36 - HN ASP- 25 16.667% * 0.0501% (0.50 1.0 0.02 0.02) = 0.050% HB2 PHE 34 - HN ASP- 25 16.667% * 0.0447% (0.45 1.0 0.02 0.02) = 0.045% HB3 ASP- 82 - HN ASP- 25 16.667% * 0.0340% (0.34 1.0 0.02 0.02) = 0.034% Peak 797 (9.35, 7.61, 117.98 ppm): 1 chemical-shift based assignment, quality = 0.76, support = 3.93, residual support = 9.05: * HN THR 24 - HN ASP- 25 100.000% *100.0000% (0.76 3.93 9.05) = 100.000% kept Peak 798 (4.60, 7.61, 117.98 ppm): 2 chemical-shift based assignments, quality = 0.863, support = 3.84, residual support = 23.7: * O HA ASP- 25 - HN ASP- 25 50.000% * 99.9743% (0.86 10.0 3.84 23.69) = 99.974% kept HA LYS+ 72 - HN ASP- 25 50.000% * 0.0257% (0.22 1.0 0.02 0.02) = 0.026% Peak 799 (3.09, 7.61, 117.98 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 3.24, residual support = 23.7: * O HB3 ASP- 25 - HN ASP- 25 33.333% * 99.8708% (1.00 10.0 3.24 23.69) = 99.871% kept HA VAL 47 - HN ASP- 25 33.333% * 0.0964% (0.96 1.0 0.02 0.02) = 0.096% HA1 GLY 58 - HN ASP- 25 33.333% * 0.0328% (0.33 1.0 0.02 0.02) = 0.033% Peak 800 (4.40, 7.61, 117.98 ppm): 10 chemical-shift based assignments, quality = 0.756, support = 2.84, residual support = 9.0: * O HA THR 24 - HN ASP- 25 10.000% * 99.4711% (0.76 10.0 2.85 9.05) = 99.471% kept HA THR 95 - HN ASP- 25 10.000% * 0.1231% (0.94 1.0 0.02 0.02) = 0.123% HA SER 88 - HN ASP- 25 10.000% * 0.1087% (0.83 1.0 0.02 0.02) = 0.109% HA LYS+ 66 - HN ASP- 25 10.000% * 0.0634% (0.48 1.0 0.02 0.02) = 0.063% HA TRP 51 - HN ASP- 25 10.000% * 0.0634% (0.48 1.0 0.02 0.02) = 0.063% HA CYS 121 - HN ASP- 25 10.000% * 0.0584% (0.45 1.0 0.02 0.02) = 0.058% HA ASN 57 - HN ASP- 25 10.000% * 0.0362% (0.28 1.0 0.02 0.02) = 0.036% HA ALA 37 - HN ASP- 25 10.000% * 0.0325% (0.25 1.0 0.02 0.02) = 0.032% HA LYS+ 60 - HN ASP- 25 10.000% * 0.0258% (0.20 1.0 0.02 0.02) = 0.026% HA THR 38 - HN ASP- 25 10.000% * 0.0176% (0.13 1.0 0.02 0.02) = 0.018% Peak 801 (1.73, 7.61, 117.98 ppm): 2 chemical-shift based assignments, quality = 0.921, support = 0.54, residual support = 0.289: HB ILE 48 - HN ASP- 25 50.000% * 59.8313% (0.96 0.60 0.36) = 59.831% kept HB3 GLU- 50 - HN ASP- 25 50.000% * 40.1687% (0.86 0.45 0.18) = 40.169% kept Peak 802 (1.92, 7.61, 117.98 ppm): 15 chemical-shift based assignments, quality = 0.916, support = 1.43, residual support = 0.979: * HB2 LEU 23 - HN ASP- 25 6.667% * 82.0820% (0.99 1.71 1.19) = 82.082% kept HD3 LYS+ 63 - HN ASP- 25 6.667% * 10.9964% (0.92 0.25 0.02) = 10.996% kept HB3 GLU- 56 - HN ASP- 25 6.667% * 0.9645% (1.00 0.02 0.02) = 0.965% HB3 PRO 35 - HN ASP- 25 6.667% * 0.9309% (0.96 0.02 0.02) = 0.931% HB ILE 29 - HN ASP- 25 6.667% * 0.8367% (0.86 0.02 0.02) = 0.837% HB3 GLN 102 - HN ASP- 25 6.667% * 0.7371% (0.76 0.02 0.02) = 0.737% HB3 GLU- 54 - HN ASP- 25 6.667% * 0.7004% (0.72 0.02 0.02) = 0.700% HB2 PRO 116 - HN ASP- 25 6.667% * 0.5850% (0.60 0.02 0.02) = 0.585% HB3 MET 118 - HN ASP- 25 6.667% * 0.5461% (0.56 0.02 0.02) = 0.546% HG2 PRO 112 - HN ASP- 25 6.667% * 0.5075% (0.52 0.02 0.02) = 0.507% HB3 CYS 123 - HN ASP- 25 6.667% * 0.3290% (0.34 0.02 0.02) = 0.329% HB2 GLU- 75 - HN ASP- 25 6.667% * 0.2977% (0.31 0.02 0.02) = 0.298% HB3 LYS+ 55 - HN ASP- 25 6.667% * 0.1689% (0.17 0.02 0.02) = 0.169% HG2 GLU- 18 - HN ASP- 25 6.667% * 0.1689% (0.17 0.02 0.02) = 0.169% HG3 PRO 31 - HN ASP- 25 6.667% * 0.1488% (0.15 0.02 0.02) = 0.149% Peak 803 (1.55, 7.61, 117.98 ppm): 10 chemical-shift based assignments, quality = 0.931, support = 2.96, residual support = 5.44: * QG2 THR 24 - HN ASP- 25 10.000% * 57.1074% (0.98 4.21 9.05) = 57.107% kept HB3 LEU 23 - HN ASP- 25 10.000% * 22.3119% (0.92 1.75 1.19) = 22.312% kept HG13 ILE 29 - HN ASP- 25 10.000% * 13.2724% (0.92 1.04 0.02) = 13.272% kept HB3 LEU 90 - HN ASP- 25 10.000% * 5.0760% (0.83 0.44 0.02) = 5.076% kept HG3 LYS+ 60 - HN ASP- 25 10.000% * 1.7328% (0.28 0.45 0.02) = 1.733% kept QG2 VAL 80 - HN ASP- 25 10.000% * 0.1678% (0.60 0.02 0.02) = 0.168% HD3 LYS+ 60 - HN ASP- 25 10.000% * 0.1138% (0.41 0.02 0.02) = 0.114% HG LEU 17 - HN ASP- 25 10.000% * 0.0944% (0.34 0.02 0.02) = 0.094% HB ILE 19 - HN ASP- 25 10.000% * 0.0854% (0.31 0.02 0.02) = 0.085% HG LEU 74 - HN ASP- 25 10.000% * 0.0382% (0.14 0.02 0.02) = 0.038% 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): 6 chemical-shift based assignments, quality = 0.96, support = 2.03, residual support = 5.03: * O HB THR 39 - HN THR 39 16.667% * 95.8172% (0.99 10.0 2.02 4.95) = 95.817% kept HB THR 38 - HN THR 39 16.667% * 3.8587% (0.34 1.0 2.36 7.57) = 3.859% kept HA LYS+ 44 - HN THR 39 16.667% * 0.0953% (0.98 1.0 0.02 0.02) = 0.095% HB3 SER 77 - HN THR 39 16.667% * 0.0896% (0.93 1.0 0.02 0.02) = 0.090% HB THR 95 - HN THR 39 16.667% * 0.0696% (0.72 1.0 0.02 0.02) = 0.070% HA1 GLY 92 - HN THR 39 16.667% * 0.0696% (0.72 1.0 0.02 0.02) = 0.070% Peak 806 (1.38, 8.59, 117.77 ppm): 9 chemical-shift based assignments, quality = 0.799, support = 1.64, residual support = 3.5: * QG2 THR 39 - HN THR 39 11.111% * 66.2119% (0.99 2.02 4.95) = 66.212% kept HG LEU 74 - HN THR 39 11.111% * 20.0682% (0.48 1.26 0.72) = 20.068% kept HD3 LYS+ 20 - HN THR 39 11.111% * 4.9588% (0.56 0.27 0.02) = 4.959% kept QB ALA 42 - HN THR 39 11.111% * 4.1952% (0.15 0.83 1.97) = 4.195% kept QB ALA 91 - HN THR 39 11.111% * 2.4716% (0.52 0.14 0.02) = 2.472% kept HG13 ILE 19 - HN THR 39 11.111% * 0.8549% (0.31 0.08 0.02) = 0.855% HG2 LYS+ 78 - HN THR 39 11.111% * 0.6191% (0.94 0.02 0.02) = 0.619% HB3 LYS+ 20 - HN THR 39 11.111% * 0.3969% (0.60 0.02 0.02) = 0.397% HG3 ARG+ 22 - HN THR 39 11.111% * 0.2232% (0.34 0.02 0.02) = 0.223% Peak 807 (1.54, 8.59, 117.77 ppm): 11 chemical-shift based assignments, quality = 0.451, support = 0.555, residual support = 0.272: HG LEU 74 - HN THR 39 9.091% * 34.7695% (0.14 1.26 0.72) = 34.769% kept * HG LEU 43 - HN THR 39 9.091% * 19.2186% (0.22 0.45 0.02) = 19.219% kept HB3 LEU 23 - HN THR 39 9.091% * 17.6035% (0.98 0.09 0.02) = 17.603% kept HG13 ILE 29 - HN THR 39 9.091% * 13.4772% (0.79 0.09 0.02) = 13.477% kept QG2 THR 24 - HN THR 39 9.091% * 3.4679% (0.89 0.02 0.02) = 3.468% kept HB ILE 19 - HN THR 39 9.091% * 3.2387% (0.20 0.08 0.02) = 3.239% kept QG2 VAL 80 - HN THR 39 9.091% * 2.9552% (0.76 0.02 0.18) = 2.955% kept HB3 LEU 90 - HN THR 39 9.091% * 2.6562% (0.68 0.02 0.16) = 2.656% kept HD3 LYS+ 60 - HN THR 39 9.091% * 1.0751% (0.27 0.02 0.02) = 1.075% kept HG LEU 17 - HN THR 39 9.091% * 0.8609% (0.22 0.02 0.02) = 0.861% HG3 LYS+ 60 - HN THR 39 9.091% * 0.6772% (0.17 0.02 0.02) = 0.677% Peak 808 (4.74, 8.59, 117.77 ppm): 4 chemical-shift based assignments, quality = 0.678, support = 0.829, residual support = 1.46: * HA VAL 40 - HN THR 39 25.000% * 81.8451% (0.72 0.96 1.78) = 81.845% kept HA PRO 31 - HN THR 39 25.000% * 15.7492% (0.48 0.28 0.02) = 15.749% kept HA MET 118 - HN THR 39 25.000% * 1.8823% (0.79 0.02 0.02) = 1.882% kept HA2 GLY 30 - HN THR 39 25.000% * 0.5234% (0.22 0.02 0.02) = 0.523% Peak 809 (8.74, 8.59, 117.77 ppm): 4 chemical-shift based assignments, quality = 0.754, support = 0.02, residual support = 0.02: HN ILE 101 - HN THR 39 25.000% * 29.3549% (0.86 0.02 0.02) = 29.355% kept HN GLU- 56 - HN THR 39 25.000% * 28.2666% (0.83 0.02 0.02) = 28.267% kept HN VAL 62 - HN THR 39 25.000% * 24.5738% (0.72 0.02 0.02) = 24.574% kept HN PHE 34 - HN THR 39 25.000% * 17.8046% (0.52 0.02 0.02) = 17.805% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 810 (7.72, 8.59, 117.77 ppm): 1 chemical-shift based assignment, quality = 0.6, support = 0.75, residual support = 1.97: * T HN ALA 42 - HN THR 39 100.000% *100.0000% (0.60 10.00 0.75 1.97) = 100.000% kept Peak 811 (7.88, 8.59, 117.77 ppm): 4 chemical-shift based assignments, quality = 0.645, support = 3.28, residual support = 7.25: * T HN THR 38 - HN THR 39 25.000% * 95.7262% (0.64 10.00 3.41 7.57) = 95.726% kept HN LEU 90 - HN THR 39 25.000% * 3.3293% (0.98 1.00 0.45 0.16) = 3.329% kept HD22 ASN 89 - HN THR 39 25.000% * 0.8118% (0.76 1.00 0.14 0.02) = 0.812% HN LYS+ 44 - HN THR 39 25.000% * 0.1327% (0.89 1.00 0.02 0.02) = 0.133% 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): 10 chemical-shift based assignments, quality = 0.919, support = 2.21, residual support = 5.42: O HA1 GLY 26 - HN SER 27 10.000% * 56.6228% (0.96 10.0 2.61 5.43) = 56.623% kept * O HA2 GLY 26 - HN SER 27 10.000% * 43.1432% (0.87 10.0 1.68 5.43) = 43.143% kept HA LYS+ 117 - HN SER 27 10.000% * 0.0551% (0.94 1.0 0.02 0.02) = 0.055% HA THR 38 - HN SER 27 10.000% * 0.0347% (0.59 1.0 0.02 0.02) = 0.035% HB THR 61 - HN SER 27 10.000% * 0.0323% (0.55 1.0 0.02 0.02) = 0.032% HA LYS+ 60 - HN SER 27 10.000% * 0.0278% (0.47 1.0 0.02 0.02) = 0.028% HA VAL 94 - HN SER 27 10.000% * 0.0278% (0.47 1.0 0.02 0.02) = 0.028% HA ALA 37 - HN SER 27 10.000% * 0.0235% (0.40 1.0 0.02 0.02) = 0.023% HA ASN 57 - HN SER 27 10.000% * 0.0214% (0.36 1.0 0.02 0.02) = 0.021% HA TRP 51 - HN SER 27 10.000% * 0.0113% (0.19 1.0 0.02 0.02) = 0.011% Peak 814 (3.78, 8.02, 117.84 ppm): 5 chemical-shift based assignments, quality = 0.615, support = 2.21, residual support = 3.73: * O HB3 SER 27 - HN SER 27 20.000% * 80.0542% (0.59 10.0 2.01 3.36) = 80.054% kept HA ILE 48 - HN SER 27 20.000% * 17.3654% (0.79 1.0 3.22 5.93) = 17.365% kept HA LYS+ 44 - HN SER 27 20.000% * 2.5397% (0.25 1.0 1.46 0.15) = 2.540% kept HD3 PRO 112 - HN SER 27 20.000% * 0.0204% (0.15 1.0 0.02 0.02) = 0.020% HD3 PRO 104 - HN SER 27 20.000% * 0.0204% (0.15 1.0 0.02 0.02) = 0.020% Peak 815 (3.69, 8.02, 117.84 ppm): 4 chemical-shift based assignments, quality = 0.722, support = 2.27, residual support = 3.84: * O HA SER 27 - HN SER 27 25.000% * 80.8457% (0.67 10.0 2.05 3.36) = 80.846% kept HA ILE 48 - HN SER 27 25.000% * 18.9424% (0.97 1.0 3.22 5.93) = 18.942% kept HD2 PRO 52 - HN SER 27 25.000% * 0.1136% (0.94 1.0 0.02 0.02) = 0.114% HA LYS+ 81 - HN SER 27 25.000% * 0.0983% (0.81 1.0 0.02 0.02) = 0.098% Peak 816 (3.51, 8.02, 117.84 ppm): 3 chemical-shift based assignments, quality = 0.476, support = 2.64, residual support = 4.79: * HA ILE 48 - HN SER 27 33.333% * 80.6761% (0.40 3.22 5.93) = 80.676% kept HB3 SER 69 - HN SER 27 33.333% * 12.5207% (0.87 0.23 0.02) = 12.521% kept HA1 GLY 30 - HN SER 27 33.333% * 6.8033% (0.59 0.19 0.02) = 6.803% kept Peak 817 (3.86, 8.02, 117.84 ppm): 10 chemical-shift based assignments, quality = 0.575, support = 2.06, residual support = 2.98: * HA ILE 48 - HN SER 27 10.000% * 49.5242% (0.46 3.22 5.93) = 49.524% kept HA LYS+ 44 - HN SER 27 10.000% * 28.3600% (0.58 1.46 0.15) = 28.360% kept HB3 SER 88 - HN SER 27 10.000% * 7.3838% (0.89 0.25 0.02) = 7.384% kept HA VAL 87 - HN SER 27 10.000% * 6.7429% (0.81 0.25 0.02) = 6.743% kept HD3 PRO 86 - HN SER 27 10.000% * 6.7269% (0.92 0.22 0.02) = 6.727% kept HD2 PRO 86 - HN SER 27 10.000% * 0.4982% (0.17 0.09 0.02) = 0.498% HB2 SER 85 - HN SER 27 10.000% * 0.3403% (0.51 0.02 0.02) = 0.340% HA VAL 125 - HN SER 27 10.000% * 0.1798% (0.27 0.02 0.02) = 0.180% HD2 PRO 116 - HN SER 27 10.000% * 0.1440% (0.22 0.02 0.02) = 0.144% HA2 GLY 92 - HN SER 27 10.000% * 0.0998% (0.15 0.02 0.02) = 0.100% Peak 818 (1.71, 8.02, 117.84 ppm): 3 chemical-shift based assignments, quality = 0.579, support = 0.735, residual support = 5.81: HB ILE 48 - HN SER 27 33.333% * 97.9504% (0.59 0.75 5.93) = 97.950% kept HD3 LYS+ 55 - HN SER 27 33.333% * 1.1974% (0.27 0.02 0.02) = 1.197% kept HB3 GLU- 50 - HN SER 27 33.333% * 0.8522% (0.19 0.02 0.02) = 0.852% Peak 819 (8.18, 8.02, 117.84 ppm): 6 chemical-shift based assignments, quality = 0.421, support = 0.14, residual support = 0.0578: HN GLU- 45 - HN SER 27 16.667% * 44.7579% (0.15 0.29 0.10) = 44.758% kept HN ASN 119 - HN SER 27 16.667% * 17.4771% (0.84 0.02 0.02) = 17.477% kept HN ALA 33 - HN SER 27 16.667% * 14.6306% (0.70 0.02 0.02) = 14.631% kept HN SER 41 - HN SER 27 16.667% * 10.6004% (0.51 0.02 0.02) = 10.600% kept HN LYS+ 117 - HN SER 27 16.667% * 9.8072% (0.47 0.02 0.02) = 9.807% kept HN SER 77 - HN SER 27 16.667% * 2.7268% (0.13 0.02 0.02) = 2.727% kept Not enough support, support cutoff is 0.25 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): 10 chemical-shift based assignments, quality = 0.92, support = 1.33, residual support = 1.13: HA1 GLY 26 - HN ASP- 28 10.000% * 54.6594% (0.92 1.68 1.22) = 54.659% kept HA2 GLY 26 - HN ASP- 28 10.000% * 37.5926% (0.98 1.09 1.22) = 37.593% kept HA LYS+ 117 - HN ASP- 28 10.000% * 4.4480% (1.00 0.13 0.02) = 4.448% kept HA VAL 94 - HN ASP- 28 10.000% * 1.0257% (0.34 0.09 0.02) = 1.026% kept HA THR 38 - HN ASP- 28 10.000% * 0.5392% (0.76 0.02 0.02) = 0.539% HA LYS+ 60 - HN ASP- 28 10.000% * 0.4565% (0.65 0.02 0.02) = 0.456% HA ALA 37 - HN ASP- 28 10.000% * 0.3995% (0.57 0.02 0.02) = 0.399% HA ASN 57 - HN ASP- 28 10.000% * 0.3712% (0.53 0.02 0.02) = 0.371% HB THR 61 - HN ASP- 28 10.000% * 0.2901% (0.41 0.02 0.02) = 0.290% HA TRP 51 - HN ASP- 28 10.000% * 0.2178% (0.31 0.02 0.02) = 0.218% 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): 8 chemical-shift based assignments, quality = 0.639, support = 0.186, residual support = 0.0369: HB3 SER 88 - HN ASP- 28 12.500% * 30.5281% (0.65 0.25 0.02) = 30.528% kept HA ILE 48 - HN ASP- 28 12.500% * 25.9143% (0.51 0.27 0.02) = 25.914% kept HD3 PRO 86 - HN ASP- 28 12.500% * 20.7641% (0.98 0.11 0.10) = 20.764% kept HA VAL 87 - HN ASP- 28 12.500% * 8.7500% (0.53 0.09 0.02) = 8.750% kept HA LYS+ 44 - HN ASP- 28 12.500% * 8.1513% (0.56 0.08 0.02) = 8.151% kept HB2 SER 85 - HN ASP- 28 12.500% * 3.6315% (0.25 0.08 0.02) = 3.631% kept HA2 GLY 92 - HN ASP- 28 12.500% * 1.4190% (0.37 0.02 0.02) = 1.419% kept HD3 PRO 116 - HN ASP- 28 12.500% * 0.8418% (0.22 0.02 0.02) = 0.842% Not enough support, support cutoff is 0.25 Peak unassigned. Peak 827 (3.75, 8.29, 117.49 ppm): 5 chemical-shift based assignments, quality = 0.658, support = 2.17, residual support = 3.85: * HB3 SER 27 - HN ASP- 28 20.000% * 81.1386% (0.61 2.63 4.74) = 81.139% kept HA ILE 48 - HN ASP- 28 20.000% * 12.5254% (0.92 0.27 0.02) = 12.525% kept HA LEU 43 - HN ASP- 28 20.000% * 4.6405% (0.90 0.10 0.02) = 4.640% kept HD3 PRO 104 - HN ASP- 28 20.000% * 1.0139% (1.00 0.02 0.02) = 1.014% kept HA LYS+ 44 - HN ASP- 28 20.000% * 0.6816% (0.17 0.08 0.02) = 0.682% Peak 828 (2.11, 8.29, 117.49 ppm): 13 chemical-shift based assignments, quality = 0.378, support = 2.66, residual support = 29.6: * O HB2 ASP- 28 - HN ASP- 28 7.692% * 88.0196% (0.34 10.0 2.98 33.57) = 88.020% kept HG3 GLU- 56 - HN ASP- 28 7.692% * 4.1630% (0.98 1.0 0.33 0.02) = 4.163% kept HB VAL 87 - HN ASP- 28 7.692% * 3.8640% (0.57 1.0 0.53 0.02) = 3.864% kept HA1 GLY 58 - HN ASP- 28 7.692% * 1.5979% (0.20 1.0 0.61 0.02) = 1.598% kept HB3 LEU 43 - HN ASP- 28 7.692% * 1.2681% (0.96 1.0 0.10 0.02) = 1.268% kept HB2 LEU 43 - HN ASP- 28 7.692% * 0.3653% (0.28 1.0 0.10 0.02) = 0.365% HB3 GLU- 75 - HN ASP- 28 7.692% * 0.2443% (0.95 1.0 0.02 0.02) = 0.244% HB VAL 65 - HN ASP- 28 7.692% * 0.1565% (0.61 1.0 0.02 0.02) = 0.157% HB VAL 47 - HN ASP- 28 7.692% * 0.0880% (0.34 1.0 0.02 0.02) = 0.088% HB VAL 125 - HN ASP- 28 7.692% * 0.0796% (0.31 1.0 0.02 0.02) = 0.080% HB2 LYS+ 110 - HN ASP- 28 7.692% * 0.0574% (0.22 1.0 0.02 0.02) = 0.057% HG3 GLN 102 - HN ASP- 28 7.692% * 0.0511% (0.20 1.0 0.02 0.02) = 0.051% HD3 LYS+ 110 - HN ASP- 28 7.692% * 0.0452% (0.17 1.0 0.02 0.02) = 0.045% Peak 829 (2.37, 8.29, 117.49 ppm): 5 chemical-shift based assignments, quality = 0.425, support = 3.28, residual support = 31.4: * O HB3 ASP- 28 - HN ASP- 28 20.000% * 93.4096% (0.41 10.0 3.48 33.57) = 93.410% kept HA1 GLY 58 - HN ASP- 28 20.000% * 4.5136% (0.65 1.0 0.61 0.02) = 4.514% kept HB2 LYS+ 78 - HN ASP- 28 20.000% * 1.8871% (0.65 1.0 0.26 0.02) = 1.887% kept HB2 CYS 121 - HN ASP- 28 20.000% * 0.1195% (0.53 1.0 0.02 0.02) = 0.120% HG3 GLU- 50 - HN ASP- 28 20.000% * 0.0701% (0.31 1.0 0.02 0.02) = 0.070% Peak 830 (5.97, 8.29, 117.49 ppm): 1 chemical-shift based assignment, quality = 0.486, support = 3.05, residual support = 33.6: * O HA ASP- 28 - HN ASP- 28 100.000% *100.0000% (0.49 10.0 3.05 33.57) = 100.000% kept Peak 831 (3.66, 8.29, 117.49 ppm): 4 chemical-shift based assignments, quality = 0.691, support = 2.52, residual support = 4.64: * O HA SER 27 - HN ASP- 28 25.000% * 97.9881% (0.69 10.0 2.56 4.74) = 97.988% kept HA ILE 48 - HN ASP- 28 25.000% * 1.8882% (0.98 1.0 0.27 0.02) = 1.888% kept HA LYS+ 81 - HN ASP- 28 25.000% * 0.0751% (0.53 1.0 0.02 0.02) = 0.075% HD2 PRO 52 - HN ASP- 28 25.000% * 0.0487% (0.34 1.0 0.02 0.02) = 0.049% 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): 11 chemical-shift based assignments, quality = 0.953, support = 2.84, residual support = 10.5: * O QB ALA 37 - HN ALA 37 9.091% * 89.7247% (0.96 10.0 2.98 11.08) = 89.725% kept QG2 THR 38 - HN ALA 37 9.091% * 8.5443% (0.96 1.0 1.90 7.05) = 8.544% kept HD3 LYS+ 44 - HN ALA 37 9.091% * 1.0310% (0.89 1.0 0.25 0.14) = 1.031% kept QB ALA 42 - HN ALA 37 9.091% * 0.3716% (0.92 1.0 0.09 0.02) = 0.372% HG3 LYS+ 108 - HN ALA 37 9.091% * 0.0834% (0.89 1.0 0.02 0.02) = 0.083% HD3 LYS+ 113 - HN ALA 37 9.091% * 0.0564% (0.60 1.0 0.02 0.02) = 0.056% HG3 LYS+ 55 - HN ALA 37 9.091% * 0.0526% (0.56 1.0 0.02 0.02) = 0.053% HD3 LYS+ 20 - HN ALA 37 9.091% * 0.0417% (0.45 1.0 0.02 0.02) = 0.042% HG LEU 74 - HN ALA 37 9.091% * 0.0367% (0.39 1.0 0.02 0.36) = 0.037% HB3 LYS+ 60 - HN ALA 37 9.091% * 0.0317% (0.34 1.0 0.02 0.02) = 0.032% HG LEU 90 - HN ALA 37 9.091% * 0.0258% (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): 11 chemical-shift based assignments, quality = 0.897, support = 2.67, residual support = 10.6: * O HA ALA 37 - HN ALA 37 9.091% * 89.0944% (0.89 10.0 2.75 11.08) = 89.094% kept HA THR 38 - HN ALA 37 9.091% * 10.3606% (0.99 1.0 2.10 7.05) = 10.361% kept HA LYS+ 60 - HN ALA 37 9.091% * 0.0940% (0.94 1.0 0.02 0.02) = 0.094% HA2 GLY 26 - HN ALA 37 9.091% * 0.0917% (0.92 1.0 0.02 0.02) = 0.092% HA ASN 57 - HN ALA 37 9.091% * 0.0862% (0.86 1.0 0.02 0.02) = 0.086% HA LYS+ 117 - HN ALA 37 9.091% * 0.0830% (0.83 1.0 0.02 0.02) = 0.083% HA TRP 51 - HN ALA 37 9.091% * 0.0643% (0.64 1.0 0.02 0.02) = 0.064% HA1 GLY 26 - HN ALA 37 9.091% * 0.0603% (0.60 1.0 0.02 0.02) = 0.060% HA SER 88 - HN ALA 37 9.091% * 0.0307% (0.31 1.0 0.02 0.02) = 0.031% HA THR 95 - HN ALA 37 9.091% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% HB THR 61 - HN ALA 37 9.091% * 0.0153% (0.15 1.0 0.02 0.02) = 0.015% Peak 837 (2.52, 7.75, 117.09 ppm): 4 chemical-shift based assignments, quality = 0.959, support = 2.25, residual support = 14.0: * HB2 ASP- 36 - HN ALA 37 25.000% * 80.2703% (0.99 2.68 17.46) = 80.270% kept HA1 GLY 58 - HN ALA 37 25.000% * 15.5729% (0.91 0.56 0.02) = 15.573% kept HB2 ASP- 115 - HN ALA 37 25.000% * 4.0509% (0.60 0.22 0.02) = 4.051% kept HB3 LYS+ 81 - HN ALA 37 25.000% * 0.1059% (0.17 0.02 0.02) = 0.106% Peak 838 (8.88, 7.75, 117.09 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 4.36, residual support = 17.5: * T HN ASP- 36 - HN ALA 37 33.333% * 99.9225% (1.00 10.00 4.36 17.46) = 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): 5 chemical-shift based assignments, quality = 0.584, support = 1.69, residual support = 9.15: * HB3 ASP- 36 - HN ALA 37 20.000% * 52.3436% (0.24 2.76 17.46) = 52.344% kept HA1 GLY 58 - HN ALA 37 20.000% * 44.2559% (0.99 0.56 0.02) = 44.256% kept HB3 ASP- 82 - HN ALA 37 20.000% * 1.4183% (0.89 0.02 0.02) = 1.418% kept HE2 LYS+ 20 - HN ALA 37 20.000% * 1.0230% (0.64 0.02 0.02) = 1.023% kept HB2 ASP- 25 - HN ALA 37 20.000% * 0.9592% (0.60 0.02 0.02) = 0.959% Peak 840 (1.95, 7.75, 117.09 ppm): 12 chemical-shift based assignments, quality = 0.69, support = 0.816, residual support = 0.19: HB VAL 122 - HN ALA 37 8.333% * 23.8483% (0.83 0.58 0.02) = 23.848% kept HB3 LYS+ 55 - HN ALA 37 8.333% * 23.7307% (0.98 0.49 0.02) = 23.731% kept HB3 PRO 35 - HN ALA 37 8.333% * 21.2992% (0.20 2.17 0.82) = 21.299% kept HG3 PRO 116 - HN ALA 37 8.333% * 18.7618% (0.92 0.41 0.02) = 18.762% kept HB2 PRO 116 - HN ALA 37 8.333% * 8.0984% (0.56 0.29 0.02) = 8.098% kept HG3 PRO 31 - HN ALA 37 8.333% * 0.9826% (0.99 0.02 0.02) = 0.983% HB2 GLU- 75 - HN ALA 37 8.333% * 0.8599% (0.86 0.02 0.02) = 0.860% HB3 GLU- 109 - HN ALA 37 8.333% * 0.7938% (0.80 0.02 0.02) = 0.794% HG2 PRO 112 - HN ALA 37 8.333% * 0.6413% (0.64 0.02 0.02) = 0.641% HB VAL 73 - HN ALA 37 8.333% * 0.3721% (0.37 0.02 0.02) = 0.372% HG3 PRO 104 - HN ALA 37 8.333% * 0.3060% (0.31 0.02 0.02) = 0.306% HB ILE 29 - HN ALA 37 8.333% * 0.3060% (0.31 0.02 0.02) = 0.306% Peak 841 (4.01, 7.75, 117.09 ppm): 6 chemical-shift based assignments, quality = 0.806, support = 1.42, residual support = 3.74: * HB THR 38 - HN ALA 37 16.667% * 51.9659% (0.76 2.15 7.05) = 51.966% kept HB THR 39 - HN ALA 37 16.667% * 19.9639% (0.76 0.83 0.27) = 19.964% kept HA LYS+ 44 - HN ALA 37 16.667% * 18.3352% (0.98 0.59 0.14) = 18.335% kept HB3 SER 77 - HN ALA 37 16.667% * 9.3447% (0.85 0.35 0.02) = 9.345% kept HB THR 95 - HN ALA 37 16.667% * 0.1951% (0.31 0.02 0.02) = 0.195% HA1 GLY 92 - HN ALA 37 16.667% * 0.1951% (0.31 0.02 0.02) = 0.195% 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): 13 chemical-shift based assignments, quality = 0.987, support = 3.42, residual support = 10.0: * O HA GLU- 54 - HN GLU- 54 7.692% * 98.1167% (0.99 10.0 3.48 10.20) = 98.117% kept HA GLU- 18 - HN GLU- 54 7.692% * 1.3177% (0.96 1.0 0.28 0.02) = 1.318% kept HA SER 49 - HN GLU- 54 7.692% * 0.0964% (0.98 1.0 0.02 0.02) = 0.096% HA PRO 59 - HN GLU- 54 7.692% * 0.0752% (0.76 1.0 0.02 0.02) = 0.075% HA LYS+ 108 - HN GLU- 54 7.692% * 0.0714% (0.72 1.0 0.02 0.02) = 0.071% HA ALA 42 - HN GLU- 54 7.692% * 0.0675% (0.68 1.0 0.02 0.02) = 0.068% HA LYS+ 110 - HN GLU- 54 7.692% * 0.0636% (0.64 1.0 0.02 0.02) = 0.064% HB3 SER 49 - HN GLU- 54 7.692% * 0.0596% (0.60 1.0 0.02 0.02) = 0.060% HA2 GLY 114 - HN GLU- 54 7.692% * 0.0441% (0.45 1.0 0.02 0.02) = 0.044% HA GLU- 56 - HN GLU- 54 7.692% * 0.0335% (0.34 1.0 0.02 0.29) = 0.034% HA GLU- 109 - HN GLU- 54 7.692% * 0.0219% (0.22 1.0 0.02 0.02) = 0.022% HA GLU- 75 - HN GLU- 54 7.692% * 0.0172% (0.17 1.0 0.02 0.12) = 0.017% HA LYS+ 44 - HN GLU- 54 7.692% * 0.0150% (0.15 1.0 0.02 0.02) = 0.015% Peak 853 (7.80, 9.07, 116.60 ppm): 5 chemical-shift based assignments, quality = 0.886, support = 3.23, residual support = 12.9: * T HN LYS+ 55 - HN GLU- 54 20.000% * 99.2703% (0.89 10.00 3.26 13.04) = 99.270% kept HN LYS+ 63 - HN GLU- 54 20.000% * 0.4991% (0.25 1.00 0.36 0.19) = 0.499% HN ALA 93 - HN GLU- 54 20.000% * 0.1097% (0.99 1.00 0.02 0.02) = 0.110% HN VAL 87 - HN GLU- 54 20.000% * 0.0627% (0.56 1.00 0.02 0.02) = 0.063% HN THR 46 - HN GLU- 54 20.000% * 0.0582% (0.52 1.00 0.02 0.02) = 0.058% Peak 854 (2.22, 9.07, 116.60 ppm): 14 chemical-shift based assignments, quality = 0.731, support = 2.26, residual support = 4.46: * HG3 GLU- 54 - HN GLU- 54 7.143% * 42.0031% (0.60 3.84 10.20) = 42.003% kept HB3 PRO 52 - HN GLU- 54 7.143% * 27.2655% (0.86 1.74 0.46) = 27.266% kept HB2 GLU- 50 - HN GLU- 54 7.143% * 13.9393% (0.99 0.77 0.23) = 13.939% kept HG3 GLU- 75 - HN GLU- 54 7.143% * 6.3049% (0.64 0.54 0.12) = 6.305% kept HG3 GLU- 18 - HN GLU- 54 7.143% * 4.9982% (0.99 0.28 0.02) = 4.998% kept HG2 GLU- 56 - HN GLU- 54 7.143% * 1.9775% (0.34 0.32 0.29) = 1.977% kept HA1 GLY 58 - HN GLU- 54 7.143% * 1.8176% (0.36 0.28 0.02) = 1.818% kept HG3 GLU- 107 - HN GLU- 54 7.143% * 0.3608% (1.00 0.02 0.02) = 0.361% HG3 GLU- 109 - HN GLU- 54 7.143% * 0.3482% (0.96 0.02 0.02) = 0.348% HG3 MET 118 - HN GLU- 54 7.143% * 0.3413% (0.94 0.02 0.02) = 0.341% HG3 MET 126 - HN GLU- 54 7.143% * 0.3330% (0.92 0.02 0.02) = 0.333% HB2 LYS+ 113 - HN GLU- 54 7.143% * 0.1617% (0.45 0.02 0.02) = 0.162% HG2 MET 126 - HN GLU- 54 7.143% * 0.1003% (0.28 0.02 0.02) = 0.100% HB VAL 99 - HN GLU- 54 7.143% * 0.0488% (0.13 0.02 0.02) = 0.049% Peak 855 (2.05, 9.07, 116.60 ppm): 12 chemical-shift based assignments, quality = 0.639, support = 1.64, residual support = 11.8: * HG3 ARG+ 53 - HN GLU- 54 8.333% * 64.3198% (0.56 2.40 18.29) = 64.320% kept HB2 GLU- 45 - HN GLU- 54 8.333% * 15.1907% (0.99 0.32 0.02) = 15.191% kept HB3 GLU- 75 - HN GLU- 54 8.333% * 9.9627% (0.74 0.28 0.12) = 9.963% kept HB VAL 62 - HN GLU- 54 8.333% * 6.1221% (0.83 0.16 0.02) = 6.122% kept HA1 GLY 58 - HN GLU- 54 8.333% * 1.7997% (0.14 0.28 0.02) = 1.800% kept HG3 PRO 86 - HN GLU- 54 8.333% * 0.7893% (0.83 0.02 0.02) = 0.789% HB3 LYS+ 110 - HN GLU- 54 8.333% * 0.5732% (0.60 0.02 0.02) = 0.573% HB3 GLU- 107 - HN GLU- 54 8.333% * 0.4237% (0.45 0.02 0.02) = 0.424% HB3 GLU- 45 - HN GLU- 54 8.333% * 0.2917% (0.31 0.02 0.02) = 0.292% HB3 LYS+ 120 - HN GLU- 54 8.333% * 0.2356% (0.25 0.02 0.02) = 0.236% HB2 LYS+ 44 - HN GLU- 54 8.333% * 0.1458% (0.15 0.02 0.02) = 0.146% HB3 PRO 31 - HN GLU- 54 8.333% * 0.1458% (0.15 0.02 0.02) = 0.146% Peak 856 (1.91, 9.07, 116.60 ppm): 14 chemical-shift based assignments, quality = 0.98, support = 2.33, residual support = 9.83: * O HB3 GLU- 54 - HN GLU- 54 7.143% * 96.2651% (1.00 10.0 2.41 10.20) = 96.265% kept HB3 GLN 102 - HN GLU- 54 7.143% * 1.3701% (0.99 1.0 0.29 0.13) = 1.370% kept HB3 GLU- 56 - HN GLU- 54 7.143% * 1.1233% (0.72 1.0 0.32 0.29) = 1.123% kept HG2 GLU- 18 - HN GLU- 54 7.143% * 0.7568% (0.56 1.0 0.28 0.02) = 0.757% HB3 MET 118 - HN GLU- 54 7.143% * 0.0929% (0.96 1.0 0.02 0.02) = 0.093% HD3 LYS+ 63 - HN GLU- 54 7.143% * 0.0889% (0.92 1.0 0.02 0.19) = 0.089% HB3 CYS 123 - HN GLU- 54 7.143% * 0.0771% (0.80 1.0 0.02 0.02) = 0.077% HB2 LEU 23 - HN GLU- 54 7.143% * 0.0661% (0.68 1.0 0.02 0.02) = 0.066% HB3 PRO 35 - HN GLU- 54 7.143% * 0.0545% (0.56 1.0 0.02 0.02) = 0.055% HB ILE 29 - HN GLU- 54 7.143% * 0.0396% (0.41 1.0 0.02 0.02) = 0.040% HB2 PRO 116 - HN GLU- 54 7.143% * 0.0191% (0.20 1.0 0.02 0.02) = 0.019% HG3 LYS+ 120 - HN GLU- 54 7.143% * 0.0169% (0.17 1.0 0.02 0.02) = 0.017% HB3 ARG+ 84 - HN GLU- 54 7.143% * 0.0149% (0.15 1.0 0.02 0.02) = 0.015% HG2 PRO 112 - HN GLU- 54 7.143% * 0.0149% (0.15 1.0 0.02 0.02) = 0.015% Peak 857 (4.12, 9.07, 116.60 ppm): 9 chemical-shift based assignments, quality = 0.956, support = 3.35, residual support = 18.2: * O HA ARG+ 53 - HN GLU- 54 11.111% * 99.5072% (0.96 10.0 3.36 18.29) = 99.507% kept HB THR 106 - HN GLU- 54 11.111% * 0.1029% (0.99 1.0 0.02 0.02) = 0.103% HA THR 46 - HN GLU- 54 11.111% * 0.0975% (0.94 1.0 0.02 0.02) = 0.098% HA VAL 105 - HN GLU- 54 11.111% * 0.0749% (0.72 1.0 0.02 0.02) = 0.075% HA LYS+ 44 - HN GLU- 54 11.111% * 0.0613% (0.59 1.0 0.02 0.02) = 0.061% HD2 PRO 59 - HN GLU- 54 11.111% * 0.0584% (0.56 1.0 0.02 0.02) = 0.058% HA ALA 70 - HN GLU- 54 11.111% * 0.0387% (0.37 1.0 0.02 0.02) = 0.039% HA2 GLY 71 - HN GLU- 54 11.111% * 0.0387% (0.37 1.0 0.02 0.02) = 0.039% HB2 SER 88 - HN GLU- 54 11.111% * 0.0204% (0.20 1.0 0.02 0.02) = 0.020% Peak 858 (8.43, 9.07, 116.60 ppm): 5 chemical-shift based assignments, quality = 0.978, support = 3.12, residual support = 17.3: * T HN ARG+ 53 - HN GLU- 54 20.000% * 94.5715% (0.99 10.00 3.26 18.29) = 94.572% kept HN GLU- 75 - HN GLU- 54 20.000% * 4.0000% (0.99 1.00 0.85 0.12) = 4.000% kept T HN CYS 123 - HN GLU- 54 20.000% * 0.9394% (0.99 10.00 0.02 0.02) = 0.939% HN LEU 74 - HN GLU- 54 20.000% * 0.4703% (0.52 1.00 0.19 0.02) = 0.470% HN LYS+ 113 - HN GLU- 54 20.000% * 0.0188% (0.20 1.00 0.02 0.02) = 0.019% Peak 859 (1.78, 9.07, 116.60 ppm): 12 chemical-shift based assignments, quality = 0.944, support = 4.42, residual support = 15.4: * HB3 ARG+ 53 - HN GLU- 54 8.333% * 84.0839% (0.98 5.17 18.29) = 84.084% kept HB3 GLU- 18 - HN GLU- 54 8.333% * 8.7356% (0.98 0.54 0.02) = 8.736% kept HB3 LYS+ 63 - HN GLU- 54 8.333% * 5.5931% (0.68 0.49 0.19) = 5.593% kept HB3 PRO 116 - HN GLU- 54 8.333% * 0.2880% (0.86 0.02 0.02) = 0.288% HG2 PRO 31 - HN GLU- 54 8.333% * 0.2773% (0.83 0.02 0.02) = 0.277% HB2 ARG+ 84 - HN GLU- 54 8.333% * 0.1747% (0.52 0.02 0.02) = 0.175% HB3 LYS+ 113 - HN GLU- 54 8.333% * 0.1616% (0.48 0.02 0.02) = 0.162% HB2 LYS+ 117 - HN GLU- 54 8.333% * 0.1616% (0.48 0.02 0.02) = 0.162% HB3 LYS+ 108 - HN GLU- 54 8.333% * 0.1488% (0.45 0.02 0.02) = 0.149% HB VAL 94 - HN GLU- 54 8.333% * 0.1365% (0.41 0.02 0.02) = 0.136% HB3 LYS+ 117 - HN GLU- 54 8.333% * 0.1365% (0.41 0.02 0.02) = 0.136% HB3 LYS+ 44 - HN GLU- 54 8.333% * 0.1025% (0.31 0.02 0.02) = 0.102% Peak 860 (4.02, 7.87, 116.41 ppm): 5 chemical-shift based assignments, quality = 0.968, support = 3.7, residual support = 14.4: * O HB THR 38 - HN THR 38 20.000% * 94.0517% (1.00 10.0 3.80 14.93) = 94.052% kept HB THR 39 - HN THR 38 20.000% * 4.4614% (0.34 1.0 2.78 7.57) = 4.461% kept HA LYS+ 44 - HN THR 38 20.000% * 1.3896% (0.96 1.0 0.31 0.65) = 1.390% kept HB3 SER 77 - HN THR 38 20.000% * 0.0711% (0.76 1.0 0.02 0.02) = 0.071% HB3 SER 85 - HN THR 38 20.000% * 0.0261% (0.28 1.0 0.02 0.02) = 0.026% 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 = 0.915, support = 3.16, residual support = 9.73: * QG2 THR 38 - HN THR 38 9.091% * 44.6963% (1.00 3.42 14.93) = 44.696% kept QB ALA 37 - HN THR 38 9.091% * 42.0486% (1.00 3.22 7.05) = 42.049% kept HG LEU 74 - HN THR 38 9.091% * 12.1102% (0.40 2.29 0.82) = 12.110% kept QB ALA 42 - HN THR 38 9.091% * 0.2589% (0.99 0.02 2.04) = 0.259% HG3 LYS+ 108 - HN THR 38 9.091% * 0.1996% (0.76 0.02 0.02) = 0.200% HD3 LYS+ 44 - HN THR 38 9.091% * 0.1996% (0.76 0.02 0.65) = 0.200% HD3 LYS+ 20 - HN THR 38 9.091% * 0.1584% (0.61 0.02 0.02) = 0.158% HD3 LYS+ 113 - HN THR 38 9.091% * 0.1171% (0.45 0.02 0.02) = 0.117% HG3 LYS+ 55 - HN THR 38 9.091% * 0.1074% (0.41 0.02 0.02) = 0.107% HB3 LYS+ 60 - HN THR 38 9.091% * 0.0582% (0.22 0.02 0.02) = 0.058% HG LEU 90 - HN THR 38 9.091% * 0.0457% (0.17 0.02 0.02) = 0.046% 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 0.25 Peak unassigned. Peak 864 (0.90, 7.87, 116.41 ppm): 13 chemical-shift based assignments, quality = 0.778, support = 1.05, residual support = 0.559: HG LEU 74 - HN THR 38 7.692% * 28.1965% (0.56 2.29 0.82) = 28.196% kept QD1 LEU 67 - HN THR 38 7.692% * 15.0718% (1.00 0.69 0.10) = 15.072% kept QG1 VAL 80 - HN THR 38 7.692% * 15.0483% (0.73 0.95 1.79) = 15.048% kept HG13 ILE 68 - HN THR 38 7.692% * 9.6294% (0.98 0.45 0.02) = 9.629% kept QG2 VAL 87 - HN THR 38 7.692% * 7.7722% (0.99 0.36 0.02) = 7.772% kept QG1 VAL 47 - HN THR 38 7.692% * 7.7077% (1.00 0.35 0.02) = 7.708% kept QG2 VAL 105 - HN THR 38 7.692% * 7.5677% (0.99 0.35 0.02) = 7.568% kept QG2 VAL 73 - HN THR 38 7.692% * 4.2541% (0.49 0.40 0.84) = 4.254% kept QG2 VAL 47 - HN THR 38 7.692% * 2.2206% (0.41 0.25 0.02) = 2.221% kept QG1 VAL 40 - HN THR 38 7.692% * 2.0537% (0.34 0.28 0.02) = 2.054% kept QG1 VAL 122 - HN THR 38 7.692% * 0.2469% (0.57 0.02 0.02) = 0.247% QG2 VAL 125 - HN THR 38 7.692% * 0.1637% (0.37 0.02 0.02) = 0.164% QG2 VAL 122 - HN THR 38 7.692% * 0.0673% (0.15 0.02 0.02) = 0.067% Peak 865 (4.37, 7.87, 116.41 ppm): 10 chemical-shift based assignments, quality = 0.97, support = 2.22, residual support = 11.1: O HA THR 38 - HN THR 38 10.000% * 51.2460% (1.00 10.0 2.41 14.93) = 51.246% kept * O HA ALA 37 - HN THR 38 10.000% * 48.4766% (0.94 10.0 2.04 7.05) = 48.477% kept HA LYS+ 60 - HN THR 38 10.000% * 0.0502% (0.98 1.0 0.02 0.02) = 0.050% HA ASN 57 - HN THR 38 10.000% * 0.0473% (0.92 1.0 0.02 0.02) = 0.047% HA2 GLY 26 - HN THR 38 10.000% * 0.0445% (0.87 1.0 0.02 0.02) = 0.044% HA LYS+ 117 - HN THR 38 10.000% * 0.0392% (0.76 1.0 0.02 0.02) = 0.039% HA TRP 51 - HN THR 38 10.000% * 0.0372% (0.73 1.0 0.02 0.02) = 0.037% HA1 GLY 26 - HN THR 38 10.000% * 0.0270% (0.53 1.0 0.02 0.02) = 0.027% HA SER 88 - HN THR 38 10.000% * 0.0192% (0.37 1.0 0.02 0.02) = 0.019% HA THR 95 - HN THR 38 10.000% * 0.0128% (0.25 1.0 0.02 0.02) = 0.013% Peak 866 (8.57, 7.87, 116.41 ppm): 4 chemical-shift based assignments, quality = 0.846, support = 3.18, residual support = 6.48: * T HN THR 39 - HN THR 38 25.000% * 82.3967% (0.83 10.00 3.41 7.57) = 82.397% kept HN VAL 80 - HN THR 38 25.000% * 10.5751% (0.87 1.00 2.47 1.79) = 10.575% kept HN VAL 73 - HN THR 38 25.000% * 6.9313% (0.96 1.00 1.46 0.84) = 6.931% kept HN LYS+ 20 - HN THR 38 25.000% * 0.0968% (0.25 1.00 0.08 0.02) = 0.097% Peak 867 (2.25, 7.87, 116.41 ppm): 8 chemical-shift based assignments, quality = 0.896, support = 0.569, residual support = 1.48: HB VAL 80 - HN THR 38 12.500% * 82.3967% (0.98 0.67 1.79) = 82.397% kept HG3 GLU- 75 - HN THR 38 12.500% * 8.2351% (0.61 0.11 0.02) = 8.235% kept HA1 GLY 58 - HN THR 38 12.500% * 4.6827% (0.41 0.09 0.02) = 4.683% kept HG2 GLU- 56 - HN THR 38 12.500% * 2.2356% (0.90 0.02 0.02) = 2.236% kept HB3 PRO 52 - HN THR 38 12.500% * 0.9356% (0.37 0.02 0.02) = 0.936% HG3 MET 118 - HN THR 38 12.500% * 0.6931% (0.28 0.02 0.02) = 0.693% HG3 GLU- 18 - HN THR 38 12.500% * 0.4366% (0.17 0.02 0.02) = 0.437% HG3 GLU- 107 - HN THR 38 12.500% * 0.3846% (0.15 0.02 0.02) = 0.385% 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): 13 chemical-shift based assignments, quality = 0.877, support = 3.46, residual support = 11.0: * QG2 VAL 87 - HN VAL 87 7.692% * 78.0765% (0.92 4.30 14.06) = 78.076% kept HG LEU 74 - HN VAL 87 7.692% * 8.7512% (0.55 0.80 0.02) = 8.751% kept QD1 LEU 67 - HN VAL 87 7.692% * 7.6773% (0.94 0.41 0.02) = 7.677% kept QG2 VAL 105 - HN VAL 87 7.692% * 2.0846% (0.99 0.11 0.02) = 2.085% kept QG1 VAL 47 - HN VAL 87 7.692% * 1.5780% (0.98 0.08 0.02) = 1.578% kept HG13 ILE 68 - HN VAL 87 7.692% * 0.3527% (0.90 0.02 0.02) = 0.353% QG1 VAL 80 - HN VAL 87 7.692% * 0.3411% (0.87 0.02 0.02) = 0.341% QG1 VAL 122 - HN VAL 87 7.692% * 0.2855% (0.73 0.02 0.02) = 0.286% QG2 VAL 47 - HN VAL 87 7.692% * 0.2226% (0.57 0.02 0.02) = 0.223% QG2 VAL 125 - HN VAL 87 7.692% * 0.2069% (0.53 0.02 0.02) = 0.207% QG1 VAL 40 - HN VAL 87 7.692% * 0.1914% (0.49 0.02 0.02) = 0.191% QG2 VAL 73 - HN VAL 87 7.692% * 0.1341% (0.34 0.02 0.02) = 0.134% QG2 VAL 122 - HN VAL 87 7.692% * 0.0981% (0.25 0.02 0.02) = 0.098% Peak 870 (4.46, 7.79, 116.60 ppm): 8 chemical-shift based assignments, quality = 0.992, support = 3.11, residual support = 8.01: * O HA PRO 86 - HN VAL 87 12.500% * 97.6704% (1.00 10.0 3.18 8.20) = 97.670% kept HA GLU- 50 - HN VAL 87 12.500% * 1.9271% (0.87 1.0 0.45 0.32) = 1.927% kept HA LYS+ 32 - HN VAL 87 12.500% * 0.0968% (0.99 1.0 0.02 0.02) = 0.097% HA ILE 100 - HN VAL 87 12.500% * 0.0968% (0.99 1.0 0.02 0.02) = 0.097% HA ILE 101 - HN VAL 87 12.500% * 0.0957% (0.98 1.0 0.02 0.02) = 0.096% HA VAL 99 - HN VAL 87 12.500% * 0.0709% (0.73 1.0 0.02 0.02) = 0.071% HA ASN 76 - HN VAL 87 12.500% * 0.0272% (0.28 1.0 0.02 0.02) = 0.027% HA CYS 123 - HN VAL 87 12.500% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% Peak 871 (4.15, 7.79, 116.60 ppm): 6 chemical-shift based assignments, quality = 0.841, support = 1.7, residual support = 9.53: * HB2 SER 88 - HN VAL 87 16.667% * 74.9381% (0.98 1.87 12.42) = 74.938% kept HA LYS+ 44 - HN VAL 87 16.667% * 23.5417% (0.46 1.26 0.96) = 23.542% kept HA2 GLY 71 - HN VAL 87 16.667% * 0.6830% (0.83 0.02 0.02) = 0.683% HD2 PRO 59 - HN VAL 87 16.667% * 0.5290% (0.65 0.02 0.02) = 0.529% HA ARG+ 53 - HN VAL 87 16.667% * 0.1821% (0.22 0.02 0.02) = 0.182% HB THR 106 - HN VAL 87 16.667% * 0.1262% (0.15 0.02 0.02) = 0.126% Peak 872 (2.11, 7.79, 116.60 ppm): 12 chemical-shift based assignments, quality = 0.823, support = 2.54, residual support = 13.9: * O HB VAL 87 - HN VAL 87 8.333% * 98.6631% (0.83 10.0 2.57 14.06) = 98.663% kept HA1 GLY 58 - HN VAL 87 8.333% * 0.6263% (0.19 1.0 0.54 0.19) = 0.626% HB3 LEU 43 - HN VAL 87 8.333% * 0.1158% (0.98 1.0 0.02 0.02) = 0.116% HB3 GLU- 75 - HN VAL 87 8.333% * 0.1156% (0.98 1.0 0.02 0.02) = 0.116% HG3 GLU- 56 - HN VAL 87 8.333% * 0.1140% (0.96 1.0 0.02 0.02) = 0.114% HB VAL 65 - HN VAL 87 8.333% * 0.1025% (0.87 1.0 0.02 0.02) = 0.102% HB VAL 125 - HN VAL 87 8.333% * 0.0669% (0.57 1.0 0.02 0.02) = 0.067% HB2 LEU 43 - HN VAL 87 8.333% * 0.0621% (0.53 1.0 0.02 0.02) = 0.062% HB2 LYS+ 110 - HN VAL 87 8.333% * 0.0530% (0.45 1.0 0.02 0.02) = 0.053% HD3 LYS+ 110 - HN VAL 87 8.333% * 0.0443% (0.37 1.0 0.02 0.02) = 0.044% HB VAL 47 - HN VAL 87 8.333% * 0.0182% (0.15 1.0 0.02 0.02) = 0.018% HB2 ASP- 28 - HN VAL 87 8.333% * 0.0182% (0.15 1.0 0.02 0.02) = 0.018% Peak 873 (3.85, 7.79, 116.60 ppm): 8 chemical-shift based assignments, quality = 0.635, support = 3.54, residual support = 11.9: * O HA VAL 87 - HN VAL 87 12.500% * 62.6952% (0.53 10.0 3.82 14.06) = 62.695% kept HD3 PRO 86 - HN VAL 87 12.500% * 21.9218% (0.98 1.0 3.75 8.20) = 21.922% kept HB3 SER 88 - HN VAL 87 12.500% * 9.9690% (0.65 1.0 2.59 12.42) = 9.969% kept HA LYS+ 44 - HN VAL 87 12.500% * 4.2249% (0.56 1.0 1.26 0.96) = 4.225% kept HB2 SER 85 - HN VAL 87 12.500% * 1.0571% (0.25 1.0 0.71 0.02) = 1.057% kept HA ILE 48 - HN VAL 87 12.500% * 0.0608% (0.51 1.0 0.02 0.02) = 0.061% HA2 GLY 92 - HN VAL 87 12.500% * 0.0447% (0.37 1.0 0.02 0.02) = 0.045% HD3 PRO 116 - HN VAL 87 12.500% * 0.0265% (0.22 1.0 0.02 0.02) = 0.027% Peak 874 (8.11, 7.79, 116.60 ppm): 5 chemical-shift based assignments, quality = 0.92, support = 3.36, residual support = 12.4: * T HN SER 88 - HN VAL 87 20.000% * 99.8097% (0.92 10.00 3.37 12.42) = 99.810% kept HN GLY 26 - HN VAL 87 20.000% * 0.0826% (0.76 1.00 0.02 0.02) = 0.083% HN VAL 122 - HN VAL 87 20.000% * 0.0743% (0.69 1.00 0.02 0.02) = 0.074% HN CYS 121 - HN VAL 87 20.000% * 0.0167% (0.15 1.00 0.02 0.02) = 0.017% HN LYS+ 110 - HN VAL 87 20.000% * 0.0167% (0.15 1.00 0.02 0.02) = 0.017% Peak 875 (2.32, 7.79, 116.60 ppm): 7 chemical-shift based assignments, quality = 0.684, support = 2.64, residual support = 8.06: O HB3 PRO 86 - HN VAL 87 14.286% * 80.6443% (0.80 10.0 2.50 8.20) = 80.644% kept * O HB2 PRO 86 - HN VAL 87 14.286% * 17.6379% (0.17 10.0 3.45 8.20) = 17.638% kept HA1 GLY 58 - HN VAL 87 14.286% * 1.5307% (0.56 1.0 0.54 0.19) = 1.531% kept HB2 TYR 83 - HN VAL 87 14.286% * 0.0953% (0.94 1.0 0.02 0.02) = 0.095% HG3 GLU- 64 - HN VAL 87 14.286% * 0.0452% (0.45 1.0 0.02 0.02) = 0.045% HG3 GLU- 50 - HN VAL 87 14.286% * 0.0311% (0.31 1.0 0.02 0.32) = 0.031% HB2 CYS 121 - HN VAL 87 14.286% * 0.0155% (0.15 1.0 0.02 0.02) = 0.016% Peak 876 (7.31, 7.66, 116.50 ppm): 7 chemical-shift based assignments, quality = 0.94, support = 3.53, residual support = 10.7: * HN ARG+ 84 - HN TYR 83 14.286% * 96.9738% (0.96 3.64 11.04) = 96.974% kept QE PHE 34 - HN TYR 83 14.286% * 1.2431% (0.45 0.10 0.02) = 1.243% kept HN VAL 47 - HN TYR 83 14.286% * 0.5228% (0.94 0.02 0.19) = 0.523% QD PHE 34 - HN TYR 83 14.286% * 0.4957% (0.90 0.02 0.02) = 0.496% HN ILE 48 - HN TYR 83 14.286% * 0.2690% (0.49 0.02 0.02) = 0.269% HZ PHE 34 - HN TYR 83 14.286% * 0.2478% (0.45 0.02 0.02) = 0.248% HZ2 TRP 51 - HN TYR 83 14.286% * 0.2478% (0.45 0.02 0.02) = 0.248% Peak 877 (7.66, 7.66, 116.50 ppm): 1 diagonal assignment: * HN TYR 83 - HN TYR 83 (0.92) kept Peak 878 (2.32, 7.66, 116.50 ppm): 6 chemical-shift based assignments, quality = 0.79, support = 3.56, residual support = 54.1: * O HB2 TYR 83 - HN TYR 83 16.667% * 96.5857% (0.80 10.0 3.65 56.01) = 96.586% kept HA1 GLY 58 - HN TYR 83 16.667% * 3.1638% (0.55 1.0 0.96 0.96) = 3.164% kept HB3 PRO 86 - HN TYR 83 16.667% * 0.1141% (0.94 1.0 0.02 0.02) = 0.114% HG3 GLU- 64 - HN TYR 83 16.667% * 0.0780% (0.65 1.0 0.02 0.02) = 0.078% HB2 PRO 86 - HN TYR 83 16.667% * 0.0372% (0.31 1.0 0.02 0.02) = 0.037% HG3 GLU- 50 - HN TYR 83 16.667% * 0.0211% (0.17 1.0 0.02 0.02) = 0.021% Peak 879 (7.05, 7.66, 116.50 ppm): 2 chemical-shift based assignments, quality = 0.869, support = 4.85, residual support = 50.8: * QD TYR 83 - HN TYR 83 50.000% * 90.7440% (0.87 5.30 56.01) = 90.744% kept QE PHE 21 - HN TYR 83 50.000% * 9.2560% (0.90 0.52 0.02) = 9.256% kept Peak 880 (3.36, 7.66, 116.50 ppm): 1 chemical-shift based assignment, quality = 0.999, support = 3.65, residual support = 56.0: * O HB3 TYR 83 - HN TYR 83 100.000% *100.0000% (1.00 10.0 3.65 56.01) = 100.000% kept Peak 881 (4.21, 7.66, 116.50 ppm): 11 chemical-shift based assignments, quality = 0.719, support = 3.96, residual support = 19.4: * O HA ASP- 82 - HN TYR 83 9.091% * 99.1892% (0.73 10.0 3.99 19.61) = 99.189% kept HA GLU- 109 - HN TYR 83 9.091% * 0.1292% (0.94 1.0 0.02 0.02) = 0.129% HB3 SER 49 - HN TYR 83 9.091% * 0.1261% (0.92 1.0 0.02 0.02) = 0.126% HA LYS+ 110 - HN TYR 83 9.091% * 0.1225% (0.90 1.0 0.02 0.02) = 0.123% HA ALA 42 - HN TYR 83 9.091% * 0.1185% (0.87 1.0 0.02 0.02) = 0.118% HA GLU- 18 - HN TYR 83 9.091% * 0.0719% (0.53 1.0 0.02 0.02) = 0.072% HA SER 49 - HN TYR 83 9.091% * 0.0665% (0.49 1.0 0.02 0.02) = 0.066% HA GLU- 64 - HN TYR 83 9.091% * 0.0612% (0.45 1.0 0.02 0.02) = 0.061% HA GLU- 54 - HN TYR 83 9.091% * 0.0562% (0.41 1.0 0.02 0.02) = 0.056% HA MET 126 - HN TYR 83 9.091% * 0.0304% (0.22 1.0 0.02 0.02) = 0.030% HA LYS+ 44 - HN TYR 83 9.091% * 0.0283% (0.21 1.0 0.02 0.02) = 0.028% Peak 882 (2.16, 7.66, 116.50 ppm): 11 chemical-shift based assignments, quality = 0.686, support = 3.64, residual support = 17.0: * HB2 ASP- 82 - HN TYR 83 9.091% * 86.4700% (0.73 4.12 19.61) = 86.470% kept HA1 GLY 58 - HN TYR 83 9.091% * 7.5181% (0.27 0.96 0.96) = 7.518% kept HG2 PRO 104 - HN TYR 83 9.091% * 3.0772% (1.00 0.11 0.02) = 3.077% kept HB3 PRO 104 - HN TYR 83 9.091% * 1.4305% (0.53 0.09 0.02) = 1.431% kept HG2 GLN 102 - HN TYR 83 9.091% * 0.4416% (0.76 0.02 0.02) = 0.442% HB3 LYS+ 78 - HN TYR 83 9.091% * 0.3040% (0.53 0.02 3.22) = 0.304% HB3 GLU- 75 - HN TYR 83 9.091% * 0.2754% (0.48 0.02 0.02) = 0.275% HG3 GLN 102 - HN TYR 83 9.091% * 0.1607% (0.28 0.02 0.02) = 0.161% HB VAL 99 - HN TYR 83 9.091% * 0.1441% (0.25 0.02 0.02) = 0.144% HB VAL 47 - HN TYR 83 9.091% * 0.0892% (0.15 0.02 0.19) = 0.089% HB2 ASP- 28 - HN TYR 83 9.091% * 0.0892% (0.15 0.02 0.02) = 0.089% Peak 883 (2.64, 7.66, 116.50 ppm): 5 chemical-shift based assignments, quality = 0.98, support = 3.45, residual support = 15.9: * HB3 ASP- 82 - HN TYR 83 20.000% * 80.3973% (0.98 4.06 19.61) = 80.397% kept HA1 GLY 58 - HN TYR 83 20.000% * 19.2999% (1.00 0.96 0.96) = 19.300% kept HE2 LYS+ 20 - HN TYR 83 20.000% * 0.1122% (0.28 0.02 0.02) = 0.112% HB2 ASP- 25 - HN TYR 83 20.000% * 0.1007% (0.25 0.02 0.02) = 0.101% HE2 LYS+ 120 - HN TYR 83 20.000% * 0.0899% (0.22 0.02 0.02) = 0.090% Peak 884 (7.53, 7.66, 116.50 ppm): 1 chemical-shift based assignment, quality = 0.964, support = 4.3, residual support = 19.6: * T HN ASP- 82 - HN TYR 83 100.000% *100.0000% (0.96 10.00 4.30 19.61) = 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): 16 chemical-shift based assignments, quality = 0.564, support = 2.27, residual support = 3.13: HB VAL 62 - HN GLU- 64 6.250% * 34.7534% (0.56 3.19 5.60) = 34.753% kept * HG2 GLU- 64 - HN GLU- 64 6.250% * 31.7702% (0.64 2.56 3.24) = 31.770% kept HG2 PRO 86 - HN GLU- 64 6.250% * 14.1687% (0.37 1.96 0.74) = 14.169% kept HG3 PRO 86 - HN GLU- 64 6.250% * 7.0072% (0.56 0.64 0.74) = 7.007% kept HG2 PRO 116 - HN GLU- 64 6.250% * 4.3569% (0.80 0.28 0.02) = 4.357% kept HB2 GLU- 18 - HN GLU- 64 6.250% * 3.6561% (0.56 0.34 0.02) = 3.656% kept HB3 GLU- 107 - HN GLU- 64 6.250% * 1.6985% (0.92 0.10 0.02) = 1.698% kept HB3 GLU- 45 - HN GLU- 64 6.250% * 0.3809% (0.99 0.02 0.02) = 0.381% HB3 PRO 31 - HN GLU- 64 6.250% * 0.3709% (0.96 0.02 0.02) = 0.371% HB2 LYS+ 44 - HN GLU- 64 6.250% * 0.3709% (0.96 0.02 0.02) = 0.371% HB2 PRO 112 - HN GLU- 64 6.250% * 0.3447% (0.89 0.02 0.02) = 0.345% HB3 PRO 112 - HN GLU- 64 6.250% * 0.3210% (0.83 0.02 0.02) = 0.321% HB3 LYS+ 110 - HN GLU- 64 6.250% * 0.3078% (0.80 0.02 0.02) = 0.308% HB VAL 105 - HN GLU- 64 6.250% * 0.1871% (0.48 0.02 0.02) = 0.187% HB3 GLU- 75 - HN GLU- 64 6.250% * 0.1871% (0.48 0.02 0.02) = 0.187% HB2 GLU- 45 - HN GLU- 64 6.250% * 0.1186% (0.31 0.02 0.02) = 0.119% Peak 889 (2.30, 7.40, 116.14 ppm): 5 chemical-shift based assignments, quality = 0.844, support = 1.78, residual support = 1.73: * HG3 GLU- 64 - HN GLU- 64 20.000% * 42.0193% (0.94 2.28 3.24) = 42.019% kept HB2 PRO 86 - HN GLU- 64 20.000% * 28.5668% (0.96 1.52 0.74) = 28.567% kept HB3 PRO 86 - HN GLU- 64 20.000% * 18.1364% (0.64 1.44 0.74) = 18.136% kept HA1 GLY 58 - HN GLU- 64 20.000% * 11.2173% (0.51 1.13 0.18) = 11.217% kept HB2 TYR 83 - HN GLU- 64 20.000% * 0.0602% (0.15 0.02 0.02) = 0.060% Peak 890 (7.82, 7.40, 116.14 ppm): 3 chemical-shift based assignments, quality = 0.934, support = 4.64, residual support = 14.9: * T HN LYS+ 63 - HN GLU- 64 33.333% * 99.2555% (0.94 10.00 4.67 15.04) = 99.255% kept HN ALA 93 - HN GLU- 64 33.333% * 0.6724% (0.34 1.00 0.38 0.02) = 0.672% HN LYS+ 55 - HN GLU- 64 33.333% * 0.0721% (0.68 1.00 0.02 0.02) = 0.072% Peak 891 (7.57, 7.40, 116.14 ppm): 3 chemical-shift based assignments, quality = 0.993, support = 1.92, residual support = 8.82: * T HN VAL 65 - HN GLU- 64 33.333% * 99.8457% (1.00 10.00 1.92 8.83) = 99.846% kept HD22 ASN 119 - HN GLU- 64 33.333% * 0.1038% (1.00 1.00 0.02 0.02) = 0.104% HN LYS+ 78 - HN GLU- 64 33.333% * 0.0505% (0.48 1.00 0.02 0.02) = 0.051% Peak 892 (4.25, 7.40, 116.14 ppm): 17 chemical-shift based assignments, quality = 0.789, support = 1.17, residual support = 1.08: HA PRO 59 - HN GLU- 64 5.882% * 50.1687% (1.00 1.80 0.87) = 50.169% kept HA LYS+ 108 - HN GLU- 64 5.882% * 14.3254% (0.99 0.52 0.02) = 14.325% kept HA GLU- 18 - HN GLU- 64 5.882% * 6.8390% (0.60 0.40 0.02) = 6.839% kept * HA VAL 65 - HN GLU- 64 5.882% * 6.2660% (0.22 1.01 8.83) = 6.266% kept HA GLU- 56 - HN GLU- 64 5.882% * 5.4423% (0.76 0.26 0.68) = 5.442% kept HD3 PRO 59 - HN GLU- 64 5.882% * 5.2792% (0.17 1.08 0.87) = 5.279% kept HA SER 49 - HN GLU- 64 5.882% * 4.9452% (0.64 0.27 0.02) = 4.945% kept HB3 SER 49 - HN GLU- 64 5.882% * 3.2458% (0.22 0.52 0.02) = 3.246% kept HA SER 85 - HN GLU- 64 5.882% * 1.6899% (0.17 0.35 0.02) = 1.690% kept HA2 GLY 114 - HN GLU- 64 5.882% * 0.4836% (0.86 0.02 0.02) = 0.484% HA GLU- 54 - HN GLU- 64 5.882% * 0.4049% (0.72 0.02 0.02) = 0.405% HA GLU- 75 - HN GLU- 64 5.882% * 0.2933% (0.52 0.02 0.02) = 0.293% HA ALA 42 - HN GLU- 64 5.882% * 0.1550% (0.28 0.02 0.02) = 0.155% HA ARG+ 84 - HN GLU- 64 5.882% * 0.1390% (0.25 0.02 0.02) = 0.139% HA LYS+ 110 - HN GLU- 64 5.882% * 0.1390% (0.25 0.02 0.02) = 0.139% HA PRO 52 - HN GLU- 64 5.882% * 0.0976% (0.17 0.02 0.02) = 0.098% HA ALA 91 - HN GLU- 64 5.882% * 0.0860% (0.15 0.02 0.02) = 0.086% Peak 893 (1.80, 7.40, 116.14 ppm): 13 chemical-shift based assignments, quality = 0.749, support = 1.82, residual support = 7.98: * HB3 LYS+ 63 - HN GLU- 64 7.692% * 52.9835% (0.72 3.01 15.04) = 52.984% kept HB3 LYS+ 117 - HN GLU- 64 7.692% * 13.0043% (0.94 0.57 0.02) = 13.004% kept HB2 LYS+ 117 - HN GLU- 64 7.692% * 12.3715% (0.89 0.57 0.02) = 12.371% kept HD3 LYS+ 117 - HN GLU- 64 7.692% * 7.7113% (0.48 0.65 0.02) = 7.711% kept HB3 LYS+ 108 - HN GLU- 64 7.692% * 6.7713% (0.92 0.30 0.02) = 6.771% kept HB3 PRO 116 - HN GLU- 64 7.692% * 3.6090% (0.52 0.28 0.02) = 3.609% kept HB2 GLU- 109 - HN GLU- 64 7.692% * 1.8574% (0.80 0.10 0.02) = 1.857% kept HB3 LYS+ 44 - HN GLU- 64 7.692% * 0.4803% (0.99 0.02 0.02) = 0.480% HB3 LYS+ 113 - HN GLU- 64 7.692% * 0.4346% (0.89 0.02 0.02) = 0.435% HD3 LYS+ 72 - HN GLU- 64 7.692% * 0.3328% (0.68 0.02 0.02) = 0.333% HG2 PRO 31 - HN GLU- 64 7.692% * 0.2743% (0.56 0.02 0.02) = 0.274% HB3 GLU- 18 - HN GLU- 64 7.692% * 0.0849% (0.17 0.02 0.02) = 0.085% HB3 ARG+ 53 - HN GLU- 64 7.692% * 0.0849% (0.17 0.02 0.02) = 0.085% Peak 894 (0.70, 7.40, 116.14 ppm): 10 chemical-shift based assignments, quality = 0.83, support = 1.1, residual support = 0.925: HG2 PRO 59 - HN GLU- 64 10.000% * 39.2158% (0.99 1.41 0.87) = 39.216% kept QG2 ILE 48 - HN GLU- 64 10.000% * 25.7495% (0.80 1.15 0.58) = 25.749% kept HG LEU 67 - HN GLU- 64 10.000% * 9.6382% (0.99 0.35 0.02) = 9.638% kept QG2 ILE 101 - HN GLU- 64 10.000% * 9.2892% (0.89 0.37 0.02) = 9.289% kept * QG1 VAL 62 - HN GLU- 64 10.000% * 7.6964% (0.13 2.04 5.60) = 7.696% kept QD1 ILE 19 - HN GLU- 64 10.000% * 6.3429% (0.64 0.35 0.02) = 6.343% kept QG2 VAL 94 - HN GLU- 64 10.000% * 1.2150% (0.56 0.08 0.02) = 1.215% kept QD1 ILE 68 - HN GLU- 64 10.000% * 0.3694% (0.17 0.08 0.02) = 0.369% HG12 ILE 19 - HN GLU- 64 10.000% * 0.2935% (0.52 0.02 0.02) = 0.293% QG2 VAL 40 - HN GLU- 64 10.000% * 0.1903% (0.34 0.02 0.02) = 0.190% Peak 895 (8.17, 8.17, 116.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 896 (4.36, 8.17, 116.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 897 (7.79, 8.17, 116.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 898 (7.76, 7.76, 116.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 899 (3.73, 7.76, 116.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 900 (2.24, 7.76, 116.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 901 (7.58, 8.26, 116.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 902 (3.88, 8.26, 116.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 903 (7.53, 7.53, 115.71 ppm): 1 diagonal assignment: * HN ASP- 82 - HN ASP- 82 (0.96) kept Peak 904 (2.63, 7.53, 115.71 ppm): 5 chemical-shift based assignments, quality = 0.96, support = 3.85, residual support = 28.3: * O HB3 ASP- 82 - HN ASP- 82 20.000% * 96.4560% (0.96 10.0 3.97 29.35) = 96.456% kept HA1 GLY 58 - HN ASP- 82 20.000% * 3.4334% (0.98 1.0 0.70 0.02) = 3.433% kept HE2 LYS+ 20 - HN ASP- 82 20.000% * 0.0479% (0.48 1.0 0.02 0.02) = 0.048% HB2 ASP- 25 - HN ASP- 82 20.000% * 0.0441% (0.44 1.0 0.02 0.02) = 0.044% HB3 ASP- 36 - HN ASP- 82 20.000% * 0.0185% (0.18 1.0 0.02 0.02) = 0.019% Peak 905 (2.15, 7.53, 115.71 ppm): 10 chemical-shift based assignments, quality = 0.384, support = 2.93, residual support = 23.9: * O HB2 ASP- 82 - HN ASP- 82 10.000% * 81.4299% (0.30 10.0 3.41 29.35) = 81.430% kept HB3 LYS+ 78 - HN ASP- 82 10.000% * 12.5800% (0.90 1.0 1.03 0.11) = 12.580% kept HA1 GLY 58 - HN ASP- 82 10.000% * 2.3594% (0.25 1.0 0.70 0.02) = 2.359% kept HB VAL 47 - HN ASP- 82 10.000% * 1.9016% (0.48 1.0 0.30 0.02) = 1.902% kept HG2 PRO 104 - HN ASP- 82 10.000% * 1.1274% (0.78 1.0 0.11 0.02) = 1.127% kept HG3 GLN 102 - HN ASP- 82 10.000% * 0.1812% (0.67 1.0 0.02 0.02) = 0.181% HB3 GLU- 75 - HN ASP- 82 10.000% * 0.1558% (0.58 1.0 0.02 0.02) = 0.156% HB2 ASP- 28 - HN ASP- 82 10.000% * 0.1284% (0.48 1.0 0.02 0.02) = 0.128% HG2 GLN 102 - HN ASP- 82 10.000% * 0.0900% (0.33 1.0 0.02 0.02) = 0.090% HB3 PRO 104 - HN ASP- 82 10.000% * 0.0462% (0.17 1.0 0.02 0.02) = 0.046% Peak 906 (4.19, 7.53, 115.71 ppm): 6 chemical-shift based assignments, quality = 0.708, support = 3.35, residual support = 29.2: * O HA ASP- 82 - HN ASP- 82 16.667% * 99.5400% (0.71 10.0 3.36 29.35) = 99.540% kept HA MET 126 - HN ASP- 82 16.667% * 0.1359% (0.97 1.0 0.02 0.02) = 0.136% HA GLU- 64 - HN ASP- 82 16.667% * 0.1297% (0.93 1.0 0.02 0.02) = 0.130% HA VAL 73 - HN ASP- 82 16.667% * 0.0942% (0.67 1.0 0.02 0.02) = 0.094% HA GLU- 109 - HN ASP- 82 16.667% * 0.0615% (0.44 1.0 0.02 0.02) = 0.061% HA LYS+ 44 - HN ASP- 82 16.667% * 0.0389% (0.28 1.0 0.02 0.02) = 0.039% Peak 907 (1.64, 7.53, 115.71 ppm): 9 chemical-shift based assignments, quality = 0.708, support = 0.98, residual support = 0.779: * HG3 ARG+ 84 - HN ASP- 82 11.111% * 29.6058% (0.71 1.28 1.10) = 29.606% kept HB3 ARG+ 22 - HN ASP- 82 11.111% * 26.2823% (0.95 0.85 0.50) = 26.282% kept HG LEU 23 - HN ASP- 82 11.111% * 20.9936% (0.52 1.25 1.42) = 20.994% kept HB3 MET 97 - HN ASP- 82 11.111% * 13.2247% (0.90 0.45 0.13) = 13.225% kept HG3 LYS+ 78 - HN ASP- 82 11.111% * 4.7427% (0.19 0.75 0.11) = 4.743% kept HB3 MET 126 - HN ASP- 82 11.111% * 4.2914% (0.27 0.48 0.02) = 4.291% kept HG12 ILE 101 - HN ASP- 82 11.111% * 0.2865% (0.44 0.02 0.02) = 0.287% HB2 LEU 67 - HN ASP- 82 11.111% * 0.2865% (0.44 0.02 0.02) = 0.287% HB ILE 100 - HN ASP- 82 11.111% * 0.2865% (0.44 0.02 0.02) = 0.287% Peak 908 (8.24, 7.53, 115.71 ppm): 8 chemical-shift based assignments, quality = 0.95, support = 2.73, residual support = 6.67: * T HN LYS+ 81 - HN ASP- 82 12.500% * 98.8763% (0.96 10.00 2.76 6.74) = 98.876% kept T HN THR 106 - HN ASP- 82 12.500% * 0.7325% (0.71 10.00 0.02 0.02) = 0.732% HN LEU 67 - HN ASP- 82 12.500% * 0.0989% (0.96 1.00 0.02 0.02) = 0.099% HN GLY 58 - HN ASP- 82 12.500% * 0.0931% (0.90 1.00 0.02 0.02) = 0.093% HN SER 49 - HN ASP- 82 12.500% * 0.0808% (0.78 1.00 0.02 0.02) = 0.081% HN ASP- 115 - HN ASP- 82 12.500% * 0.0653% (0.63 1.00 0.02 0.02) = 0.065% HN VAL 94 - HN ASP- 82 12.500% * 0.0280% (0.27 1.00 0.02 0.02) = 0.028% HN VAL 105 - HN ASP- 82 12.500% * 0.0252% (0.24 1.00 0.02 0.02) = 0.025% Peak 909 (9.03, 7.53, 115.71 ppm): 2 chemical-shift based assignments, quality = 0.972, support = 0.02, residual support = 0.975: * T HN THR 79 - HN ASP- 82 50.000% * 90.8354% (0.97 10.00 0.02 1.07) = 90.835% kept HN GLY 30 - HN ASP- 82 50.000% * 9.1646% (0.98 1.00 0.02 0.02) = 9.165% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 910 (7.69, 7.53, 115.71 ppm): 1 chemical-shift based assignment, quality = 0.368, support = 4.3, residual support = 19.6: * T HN TYR 83 - HN ASP- 82 100.000% *100.0000% (0.37 10.00 4.30 19.61) = 100.000% 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 = 0.639, support = 2.83, residual support = 10.9: * O HA ILE 29 - HN GLY 30 9.091% * 99.2694% (0.64 10.0 2.85 10.98) = 99.269% kept HA PRO 104 - HN GLY 30 9.091% * 0.1417% (0.92 1.0 0.02 0.02) = 0.142% HA LEU 90 - HN GLY 30 9.091% * 0.1417% (0.92 1.0 0.02 0.02) = 0.142% HA THR 106 - HN GLY 30 9.091% * 0.1229% (0.80 1.0 0.02 0.02) = 0.123% HA PRO 112 - HN GLY 30 9.091% * 0.0576% (0.37 1.0 0.02 0.02) = 0.058% HA ALA 91 - HN GLY 30 9.091% * 0.0523% (0.34 1.0 0.02 0.02) = 0.052% HD3 PRO 59 - HN GLY 30 9.091% * 0.0474% (0.31 1.0 0.02 0.02) = 0.047% HA PRO 52 - HN GLY 30 9.091% * 0.0474% (0.31 1.0 0.02 0.02) = 0.047% HA SER 85 - HN GLY 30 9.091% * 0.0474% (0.31 1.0 0.02 0.02) = 0.047% HA VAL 65 - HN GLY 30 9.091% * 0.0383% (0.25 1.0 0.02 0.02) = 0.038% HA ARG+ 84 - HN GLY 30 9.091% * 0.0342% (0.22 1.0 0.02 0.02) = 0.034% Peak 915 (3.47, 9.03, 115.09 ppm): 6 chemical-shift based assignments, quality = 0.539, support = 2.76, residual support = 7.79: * O HA1 GLY 30 - HN GLY 30 16.667% * 60.4102% (0.25 10.0 2.49 7.02) = 60.410% kept HD3 PRO 31 - HN GLY 30 16.667% * 39.0617% (1.00 1.0 3.22 9.09) = 39.062% kept HA1 GLY 71 - HN GLY 30 16.667% * 0.2417% (0.99 1.0 0.02 0.02) = 0.242% HA VAL 80 - HN GLY 30 16.667% * 0.1664% (0.68 1.0 0.02 0.02) = 0.166% HA ILE 48 - HN GLY 30 16.667% * 0.0660% (0.27 1.0 0.02 0.20) = 0.066% HA VAL 62 - HN GLY 30 16.667% * 0.0539% (0.22 1.0 0.02 0.02) = 0.054% Peak 916 (0.94, 9.03, 115.09 ppm): 10 chemical-shift based assignments, quality = 0.964, support = 3.74, residual support = 10.7: HG12 ILE 29 - HN GLY 30 10.000% * 50.8591% (1.00 3.93 10.98) = 50.859% kept * QG2 ILE 29 - HN GLY 30 10.000% * 46.9884% (0.98 3.70 10.98) = 46.988% kept HG LEU 74 - HN GLY 30 10.000% * 0.6919% (0.68 0.08 0.02) = 0.692% QG2 VAL 62 - HN GLY 30 10.000% * 0.2585% (0.99 0.02 0.02) = 0.258% HG12 ILE 68 - HN GLY 30 10.000% * 0.2539% (0.98 0.02 0.73) = 0.254% HG3 LYS+ 63 - HN GLY 30 10.000% * 0.2391% (0.92 0.02 0.02) = 0.239% QG1 VAL 105 - HN GLY 30 10.000% * 0.2247% (0.86 0.02 0.02) = 0.225% QD1 LEU 17 - HN GLY 30 10.000% * 0.2164% (0.83 0.02 0.02) = 0.216% QG2 VAL 99 - HN GLY 30 10.000% * 0.1881% (0.72 0.02 0.23) = 0.188% QG2 VAL 73 - HN GLY 30 10.000% * 0.0800% (0.31 0.02 0.02) = 0.080% Peak 917 (4.71, 9.03, 115.09 ppm): 5 chemical-shift based assignments, quality = 0.909, support = 2.53, residual support = 7.27: * O HA2 GLY 30 - HN GLY 30 20.000% * 87.4957% (0.94 10.0 2.34 7.02) = 87.496% kept HA PRO 31 - HN GLY 30 20.000% * 12.4368% (0.68 1.0 3.91 9.09) = 12.437% kept HA THR 61 - HN GLY 30 20.000% * 0.0285% (0.31 1.0 0.02 0.02) = 0.029% HA ASN 119 - HN GLY 30 20.000% * 0.0206% (0.22 1.0 0.02 0.02) = 0.021% HA ASN 89 - HN GLY 30 20.000% * 0.0183% (0.20 1.0 0.02 0.02) = 0.018% Peak 919 (8.81, 9.03, 115.09 ppm): 5 chemical-shift based assignments, quality = 0.711, support = 0.889, residual support = 2.49: HN LYS+ 32 - HN GLY 30 20.000% * 94.8101% (0.72 0.94 2.62) = 94.810% kept HN ASN 57 - HN GLY 30 20.000% * 2.3293% (0.83 0.02 0.02) = 2.329% kept HN LYS+ 60 - HN GLY 30 20.000% * 1.3574% (0.48 0.02 0.02) = 1.357% kept HN SER 69 - HN GLY 30 20.000% * 0.9512% (0.34 0.02 0.02) = 0.951% HN THR 95 - HN GLY 30 20.000% * 0.5519% (0.20 0.02 0.02) = 0.552% Peak 921 (4.06, 8.23, 114.86 ppm): 5 chemical-shift based assignments, quality = 0.975, support = 5.01, residual support = 16.8: * O HB2 SER 49 - HN SER 49 20.000% * 97.3816% (0.99 10.0 5.14 17.21) = 97.382% kept HA LYS+ 44 - HN SER 49 20.000% * 1.7637% (0.84 1.0 0.43 0.60) = 1.764% kept HB3 SER 77 - HN SER 49 20.000% * 0.7395% (0.34 1.0 0.44 0.02) = 0.739% HA LYS+ 63 - HN SER 49 20.000% * 0.0636% (0.64 1.0 0.02 0.02) = 0.064% HB3 SER 85 - HN SER 49 20.000% * 0.0517% (0.52 1.0 0.02 0.02) = 0.052% 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): 2 chemical-shift based assignments, quality = 0.937, support = 5.31, residual support = 32.0: * HB ILE 48 - HN SER 49 50.000% * 78.5841% (1.00 6.13 39.31) = 78.584% kept HB3 GLU- 50 - HN SER 49 50.000% * 21.4159% (0.72 2.30 5.15) = 21.416% kept Peak 924 (4.22, 8.23, 114.86 ppm): 12 chemical-shift based assignments, quality = 0.876, support = 3.67, residual support = 17.1: O HB3 SER 49 - HN SER 49 8.333% * 57.6188% (1.00 10.0 3.28 17.21) = 57.619% kept * O HA SER 49 - HN SER 49 8.333% * 41.8399% (0.72 10.0 4.26 17.21) = 41.840% kept HA LYS+ 44 - HN SER 49 8.333% * 0.2347% (0.19 1.0 0.43 0.60) = 0.235% HA LYS+ 110 - HN SER 49 8.333% * 0.0575% (0.99 1.0 0.02 0.02) = 0.057% HA ALA 42 - HN SER 49 8.333% * 0.0571% (0.99 1.0 0.02 0.02) = 0.057% HA GLU- 109 - HN SER 49 8.333% * 0.0440% (0.76 1.0 0.02 0.02) = 0.044% HA GLU- 18 - HN SER 49 8.333% * 0.0440% (0.76 1.0 0.02 0.02) = 0.044% HA GLU- 54 - HN SER 49 8.333% * 0.0373% (0.64 1.0 0.02 0.02) = 0.037% HA ASP- 82 - HN SER 49 8.333% * 0.0280% (0.48 1.0 0.02 0.02) = 0.028% HA GLU- 64 - HN SER 49 8.333% * 0.0144% (0.25 1.0 0.02 0.02) = 0.014% HA PRO 59 - HN SER 49 8.333% * 0.0128% (0.22 1.0 0.02 0.02) = 0.013% HA LYS+ 108 - HN SER 49 8.333% * 0.0114% (0.20 1.0 0.02 0.02) = 0.011% Peak 925 (0.71, 8.23, 114.86 ppm): 11 chemical-shift based assignments, quality = 0.944, support = 6.09, residual support = 36.8: * QG2 ILE 48 - HN SER 49 9.091% * 93.5174% (0.99 6.46 39.31) = 93.517% kept HG LEU 74 - HN SER 49 9.091% * 3.1594% (0.14 1.54 0.02) = 3.159% kept HG LEU 67 - HN SER 49 9.091% * 2.1793% (0.80 0.19 0.02) = 2.179% kept QG2 ILE 101 - HN SER 49 9.091% * 0.2916% (0.99 0.02 0.02) = 0.292% HG2 PRO 59 - HN SER 49 9.091% * 0.2441% (0.83 0.02 0.02) = 0.244% QG2 VAL 40 - HN SER 49 9.091% * 0.1891% (0.64 0.02 0.02) = 0.189% QD1 ILE 68 - HN SER 49 9.091% * 0.1202% (0.41 0.02 0.02) = 0.120% QD1 ILE 19 - HN SER 49 9.091% * 0.0997% (0.34 0.02 0.02) = 0.100% QG2 VAL 94 - HN SER 49 9.091% * 0.0813% (0.28 0.02 0.02) = 0.081% HG12 ILE 19 - HN SER 49 9.091% * 0.0729% (0.25 0.02 0.02) = 0.073% HG3 LYS+ 66 - HN SER 49 9.091% * 0.0451% (0.15 0.02 0.02) = 0.045% Peak 926 (7.29, 8.23, 114.86 ppm): 4 chemical-shift based assignments, quality = 0.848, support = 4.83, residual support = 32.0: * HN ILE 48 - HN SER 49 25.000% * 81.3173% (0.99 5.40 39.31) = 81.317% kept HN VAL 47 - HN SER 49 25.000% * 11.8461% (0.25 3.13 0.28) = 11.846% kept HN ARG+ 84 - HN SER 49 25.000% * 4.0879% (0.28 0.97 0.02) = 4.088% kept QD PHE 34 - HN SER 49 25.000% * 2.7488% (0.20 0.91 0.02) = 2.749% kept Peak 927 (3.96, 8.23, 114.86 ppm): 7 chemical-shift based assignments, quality = 0.329, support = 4.83, residual support = 29.7: * O HA ILE 48 - HN SER 49 14.286% * 75.3381% (0.13 10.0 6.28 39.31) = 75.338% kept HB3 SER 77 - HN SER 49 14.286% * 11.7717% (0.96 1.0 0.44 0.02) = 11.772% kept HA LYS+ 44 - HN SER 49 14.286% * 11.7136% (0.98 1.0 0.43 0.60) = 11.714% kept HA ALA 93 - HN SER 49 14.286% * 0.5518% (0.99 1.0 0.02 0.02) = 0.552% HA1 GLY 114 - HN SER 49 14.286% * 0.3152% (0.56 1.0 0.02 0.02) = 0.315% HB THR 95 - HN SER 49 14.286% * 0.1548% (0.28 1.0 0.02 0.02) = 0.155% HA1 GLY 92 - HN SER 49 14.286% * 0.1548% (0.28 1.0 0.02 0.02) = 0.155% Peak 928 (0.37, 8.23, 114.86 ppm): 3 chemical-shift based assignments, quality = 0.751, support = 5.53, residual support = 39.3: * HG13 ILE 48 - HN SER 49 33.333% * 74.0712% (0.96 5.40 39.31) = 74.071% kept QD1 ILE 48 - HN SER 49 33.333% * 13.0343% (0.15 5.94 39.31) = 13.034% kept HG12 ILE 48 - HN SER 49 33.333% * 12.8945% (0.15 5.88 39.31) = 12.894% kept Peak 929 (8.16, 8.16, 114.88 ppm): 1 diagonal assignment: * HN SER 41 - HN SER 41 (0.92) kept Peak 930 (3.81, 8.16, 114.88 ppm): 7 chemical-shift based assignments, quality = 0.99, support = 2.49, residual support = 2.26: * O HB3 SER 41 - HN SER 41 14.286% * 98.0868% (1.00 10.0 2.53 2.31) = 98.087% kept HA ILE 48 - HN SER 41 14.286% * 1.5613% (0.68 1.0 0.47 0.02) = 1.561% kept HA GLU- 45 - HN SER 41 14.286% * 0.0979% (1.00 1.0 0.02 0.02) = 0.098% HD3 PRO 112 - HN SER 41 14.286% * 0.0928% (0.94 1.0 0.02 0.02) = 0.093% HD3 PRO 116 - HN SER 41 14.286% * 0.0712% (0.73 1.0 0.02 0.02) = 0.071% HA2 GLY 92 - HN SER 41 14.286% * 0.0516% (0.53 1.0 0.02 0.02) = 0.052% HA LYS+ 44 - HN SER 41 14.286% * 0.0384% (0.39 1.0 0.02 0.02) = 0.038% Peak 931 (4.78, 8.16, 114.88 ppm): 5 chemical-shift based assignments, quality = 0.305, support = 3.22, residual support = 20.5: * O HA VAL 40 - HN SER 41 20.000% * 99.0724% (0.31 10.0 3.26 20.68) = 99.072% kept HA ASP- 115 - HN SER 41 20.000% * 0.3181% (0.99 1.0 0.02 0.02) = 0.318% HA PRO 116 - HN SER 41 20.000% * 0.2963% (0.92 1.0 0.02 0.02) = 0.296% HA LYS+ 113 - HN SER 41 20.000% * 0.2331% (0.73 1.0 0.02 0.02) = 0.233% HA MET 118 - HN SER 41 20.000% * 0.0800% (0.25 1.0 0.02 0.02) = 0.080% Peak 932 (7.72, 8.16, 114.88 ppm): 1 chemical-shift based assignment, quality = 0.896, support = 1.74, residual support = 5.08: * T HN ALA 42 - HN SER 41 100.000% *100.0000% (0.90 10.00 1.74 5.08) = 100.000% kept Peak 933 (8.70, 8.16, 114.88 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 3.65, residual support = 20.7: * T HN VAL 40 - HN SER 41 100.000% *100.0000% (0.76 10.00 3.65 20.68) = 100.000% kept Peak 934 (4.23, 8.16, 114.88 ppm): 13 chemical-shift based assignments, quality = 0.896, support = 2.14, residual support = 2.31: HA GLU- 18 - HN SER 41 7.692% * 69.4498% (0.99 2.56 1.32) = 69.450% kept * HA ALA 42 - HN SER 41 7.692% * 27.2888% (0.76 1.31 5.08) = 27.289% kept HA GLU- 54 - HN SER 41 7.692% * 0.5454% (1.00 0.02 0.02) = 0.545% HA SER 49 - HN SER 41 7.692% * 0.5454% (1.00 0.02 0.02) = 0.545% HA LYS+ 110 - HN SER 41 7.692% * 0.3969% (0.73 0.02 0.02) = 0.397% HA PRO 59 - HN SER 41 7.692% * 0.3754% (0.69 0.02 0.02) = 0.375% HB3 SER 49 - HN SER 41 7.692% * 0.3754% (0.69 0.02 0.02) = 0.375% HA LYS+ 108 - HN SER 41 7.692% * 0.3536% (0.65 0.02 0.02) = 0.354% HA2 GLY 114 - HN SER 41 7.692% * 0.2051% (0.37 0.02 0.02) = 0.205% HA GLU- 109 - HN SER 41 7.692% * 0.1520% (0.28 0.02 0.02) = 0.152% HA GLU- 56 - HN SER 41 7.692% * 0.1520% (0.28 0.02 0.02) = 0.152% HA LYS+ 44 - HN SER 41 7.692% * 0.0862% (0.16 0.02 0.02) = 0.086% HA GLU- 75 - HN SER 41 7.692% * 0.0740% (0.14 0.02 0.02) = 0.074% Peak 935 (2.48, 8.16, 114.88 ppm): 4 chemical-shift based assignments, quality = 0.933, support = 3.73, residual support = 20.4: * HB VAL 40 - HN SER 41 25.000% * 98.7499% (0.94 3.78 20.68) = 98.750% kept HA1 GLY 58 - HN SER 41 25.000% * 0.4733% (0.86 0.02 0.02) = 0.473% HG3 PRO 35 - HN SER 41 25.000% * 0.4420% (0.80 0.02 0.02) = 0.442% HB3 LYS+ 81 - HN SER 41 25.000% * 0.3348% (0.61 0.02 0.02) = 0.335% Peak 936 (0.74, 8.16, 114.88 ppm): 7 chemical-shift based assignments, quality = 0.709, support = 3.42, residual support = 20.2: * QG2 VAL 40 - HN SER 41 14.286% * 97.7948% (0.73 3.50 20.68) = 97.795% kept HG3 LYS+ 66 - HN SER 41 14.286% * 0.7542% (0.98 0.02 0.02) = 0.754% QD1 ILE 68 - HN SER 41 14.286% * 0.7103% (0.92 0.02 0.02) = 0.710% HG3 LYS+ 44 - HN SER 41 14.286% * 0.2375% (0.31 0.02 0.02) = 0.237% QG2 ILE 48 - HN SER 41 14.286% * 0.2139% (0.28 0.02 0.02) = 0.214% QG2 ILE 101 - HN SER 41 14.286% * 0.1523% (0.20 0.02 0.02) = 0.152% HG LEU 74 - HN SER 41 14.286% * 0.1371% (0.18 0.02 0.02) = 0.137% Peak 937 (1.37, 8.16, 114.88 ppm): 8 chemical-shift based assignments, quality = 0.709, support = 0.708, residual support = 0.404: * QG2 THR 39 - HN SER 41 12.500% * 45.6629% (0.65 1.12 0.86) = 45.663% kept HG13 ILE 19 - HN SER 41 12.500% * 24.1391% (0.83 0.46 0.02) = 24.139% kept HB2 LEU 17 - HN SER 41 12.500% * 11.2277% (0.31 0.58 0.02) = 11.228% kept QB ALA 91 - HN SER 41 12.500% * 9.7952% (0.98 0.16 0.02) = 9.795% kept HB3 LYS+ 20 - HN SER 41 12.500% * 6.3594% (1.00 0.10 0.02) = 6.359% kept HG3 ARG+ 22 - HN SER 41 12.500% * 1.0951% (0.87 0.02 0.02) = 1.095% kept HG2 LYS+ 78 - HN SER 41 12.500% * 1.0545% (0.83 0.02 0.02) = 1.054% kept HG LEU 74 - HN SER 41 12.500% * 0.6662% (0.53 0.02 0.02) = 0.666% 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): 10 chemical-shift based assignments, quality = 0.974, support = 1.95, residual support = 5.68: * O HA ASN 57 - HN ASN 57 10.000% * 99.3565% (0.98 10.0 1.96 5.72) = 99.357% kept HA ALA 37 - HN ASN 57 10.000% * 0.1009% (0.98 1.0 0.02 0.02) = 0.101% HA LYS+ 60 - HN ASN 57 10.000% * 0.0992% (0.96 1.0 0.02 0.02) = 0.099% HA THR 38 - HN ASN 57 10.000% * 0.0934% (0.90 1.0 0.02 0.02) = 0.093% HA TRP 51 - HN ASN 57 10.000% * 0.0934% (0.90 1.0 0.02 0.02) = 0.093% HA2 GLY 26 - HN ASN 57 10.000% * 0.0654% (0.63 1.0 0.02 0.02) = 0.065% HA SER 88 - HN ASN 57 10.000% * 0.0614% (0.59 1.0 0.02 0.02) = 0.061% HA LYS+ 117 - HN ASN 57 10.000% * 0.0532% (0.52 1.0 0.02 0.02) = 0.053% HA THR 95 - HN ASN 57 10.000% * 0.0454% (0.44 1.0 0.02 0.02) = 0.045% HA1 GLY 26 - HN ASN 57 10.000% * 0.0312% (0.30 1.0 0.02 0.02) = 0.031% Peak 941 (2.11, 8.82, 115.02 ppm): 13 chemical-shift based assignments, quality = 0.851, support = 1.84, residual support = 3.52: * HG3 GLU- 56 - HN ASN 57 7.692% * 55.8328% (0.99 2.45 3.93) = 55.833% kept HB3 GLU- 75 - HN ASN 57 7.692% * 20.1935% (0.95 0.92 0.25) = 20.193% kept HB VAL 87 - HN ASN 57 7.692% * 11.5462% (0.64 0.78 0.02) = 11.546% kept HA1 GLY 58 - HN ASN 57 7.692% * 9.4751% (0.20 2.07 13.44) = 9.475% kept HB VAL 65 - HN ASN 57 7.692% * 1.6194% (0.68 0.10 0.02) = 1.619% kept HB3 LEU 43 - HN ASN 57 7.692% * 0.4527% (0.99 0.02 0.02) = 0.453% HB VAL 125 - HN ASN 57 7.692% * 0.1714% (0.37 0.02 0.02) = 0.171% HB2 LEU 43 - HN ASN 57 7.692% * 0.1558% (0.34 0.02 0.02) = 0.156% HB2 ASP- 28 - HN ASN 57 7.692% * 0.1270% (0.28 0.02 0.02) = 0.127% HB VAL 47 - HN ASN 57 7.692% * 0.1270% (0.28 0.02 0.02) = 0.127% HB2 LYS+ 110 - HN ASN 57 7.692% * 0.1270% (0.28 0.02 0.02) = 0.127% HD3 LYS+ 110 - HN ASN 57 7.692% * 0.1017% (0.22 0.02 0.02) = 0.102% HG3 GLN 102 - HN ASN 57 7.692% * 0.0705% (0.15 0.02 0.02) = 0.070% Peak 942 (2.88, 8.82, 115.02 ppm): 2 chemical-shift based assignments, quality = 0.713, support = 1.87, residual support = 12.0: * HA1 GLY 58 - HN ASN 57 50.000% * 89.0396% (0.73 2.07 13.44) = 89.040% kept HB2 HIS+ 98 - HN ASN 57 50.000% * 10.9604% (0.60 0.31 0.64) = 10.960% kept Peak 943 (8.23, 8.82, 115.02 ppm): 10 chemical-shift based assignments, quality = 0.868, support = 2.47, residual support = 12.0: * T HN GLY 58 - HN ASN 57 10.000% * 89.6036% (0.89 10.00 2.66 13.44) = 89.604% kept HN VAL 105 - HN ASN 57 10.000% * 3.2449% (0.72 1.00 0.89 0.02) = 3.245% kept HN GLU- 45 - HN ASN 57 10.000% * 2.9580% (0.48 1.00 1.22 0.02) = 2.958% kept HN VAL 94 - HN ASN 57 10.000% * 2.8374% (0.76 1.00 0.74 0.02) = 2.837% kept HN LYS+ 81 - HN ASN 57 10.000% * 1.1181% (0.80 1.00 0.28 0.02) = 1.118% kept HN SER 49 - HN ASN 57 10.000% * 0.0979% (0.98 1.00 0.02 0.02) = 0.098% HN LEU 67 - HN ASN 57 10.000% * 0.0800% (0.80 1.00 0.02 0.02) = 0.080% HN THR 106 - HN ASN 57 10.000% * 0.0249% (0.25 1.00 0.02 0.02) = 0.025% HN ASP- 115 - HN ASN 57 10.000% * 0.0198% (0.20 1.00 0.02 0.02) = 0.020% HN LYS+ 117 - HN ASN 57 10.000% * 0.0154% (0.15 1.00 0.02 0.02) = 0.015% Peak 945 (1.96, 8.82, 115.02 ppm): 11 chemical-shift based assignments, quality = 0.721, support = 0.639, residual support = 0.149: * HB3 LYS+ 55 - HN ASN 57 9.091% * 50.1439% (0.80 0.89 0.17) = 50.144% kept HB2 GLU- 75 - HN ASN 57 9.091% * 24.6005% (0.60 0.58 0.25) = 24.600% kept HB VAL 73 - HN ASN 57 9.091% * 14.4501% (0.64 0.32 0.02) = 14.450% kept HG3 PRO 31 - HN ASN 57 9.091% * 4.6602% (0.83 0.08 0.02) = 4.660% kept HG3 PRO 116 - HN ASN 57 9.091% * 1.4020% (0.99 0.02 0.02) = 1.402% kept HB VAL 122 - HN ASN 57 9.091% * 1.3927% (0.99 0.02 0.02) = 1.393% kept HB3 GLU- 109 - HN ASN 57 9.091% * 1.3773% (0.98 0.02 0.02) = 1.377% kept HG3 PRO 104 - HN ASN 57 9.091% * 0.7955% (0.56 0.02 0.02) = 0.796% HG2 PRO 112 - HN ASN 57 9.091% * 0.5273% (0.37 0.02 0.02) = 0.527% HB2 PRO 116 - HN ASN 57 9.091% * 0.4337% (0.31 0.02 0.02) = 0.434% HB2 LYS+ 108 - HN ASN 57 9.091% * 0.2168% (0.15 0.02 0.02) = 0.217% Peak 946 (2.32, 8.82, 115.02 ppm): 6 chemical-shift based assignments, quality = 0.6, support = 1.41, residual support = 7.92: * HA1 GLY 58 - HN ASN 57 16.667% * 58.7199% (0.55 2.07 13.44) = 58.720% kept HG3 GLU- 64 - HN ASN 57 16.667% * 21.5620% (0.64 0.64 0.12) = 21.562% kept HB3 PRO 86 - HN ASN 57 16.667% * 13.0964% (0.94 0.27 0.02) = 13.096% kept HB2 PRO 86 - HN ASN 57 16.667% * 5.6101% (0.31 0.35 0.02) = 5.610% kept HB2 TYR 83 - HN ASN 57 16.667% * 0.8301% (0.80 0.02 0.02) = 0.830% HG3 GLU- 50 - HN ASN 57 16.667% * 0.1815% (0.17 0.02 0.02) = 0.182% 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): 6 chemical-shift based assignments, quality = 0.708, support = 5.26, residual support = 113.8: * HG13 ILE 48 - HN ILE 48 16.667% * 57.6214% (0.98 5.14 113.80) = 57.621% kept QD1 ILE 48 - HN ILE 48 16.667% * 21.4400% (0.34 5.49 113.80) = 21.440% kept HG12 ILE 48 - HN ILE 48 16.667% * 20.8945% (0.34 5.35 113.80) = 20.895% kept HG13 ILE 48 - HZ2 TRP 51 16.667% * 0.0260% (0.11 0.02 2.35) = 0.026% QD1 ILE 48 - HZ2 TRP 51 16.667% * 0.0090% (0.04 0.02 2.35) = 0.009% HG12 ILE 48 - HZ2 TRP 51 16.667% * 0.0090% (0.04 0.02 2.35) = 0.009% Peak 949 (1.72, 7.30, 114.60 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 5.67, residual support = 111.5: * O HB ILE 48 - HN ILE 48 25.000% * 97.9562% (1.00 10.0 5.78 113.80) = 97.956% kept HB3 GLU- 50 - HN ILE 48 25.000% * 2.0238% (0.76 1.0 0.54 1.18) = 2.024% kept HB ILE 48 - HZ2 TRP 51 25.000% * 0.0113% (0.12 1.0 0.02 2.35) = 0.011% HB3 GLU- 50 - HZ2 TRP 51 25.000% * 0.0087% (0.09 1.0 0.02 13.00) = 0.009% Peak 950 (1.46, 7.30, 114.60 ppm): 14 chemical-shift based assignments, quality = 0.628, support = 2.01, residual support = 8.45: HB3 LEU 67 - HN ILE 48 7.143% * 79.6235% (0.73 2.28 9.52) = 79.624% kept HG LEU 74 - HN ILE 48 7.143% * 16.6802% (0.30 1.17 5.19) = 16.680% kept HG LEU 90 - HZ2 TRP 51 7.143% * 1.2204% (0.06 0.42 0.02) = 1.220% kept HG LEU 74 - HZ2 TRP 51 7.143% * 0.6870% (0.03 0.42 0.02) = 0.687% HG LEU 90 - HN ILE 48 7.143% * 0.5066% (0.53 0.02 0.02) = 0.507% HB3 LYS+ 60 - HN ILE 48 7.143% * 0.4317% (0.45 0.02 0.02) = 0.432% HG3 LYS+ 55 - HN ILE 48 7.143% * 0.2401% (0.25 0.02 0.02) = 0.240% HD3 LYS+ 113 - HN ILE 48 7.143% * 0.2144% (0.22 0.02 0.02) = 0.214% QB ALA 70 - HN ILE 48 7.143% * 0.1906% (0.20 0.02 0.02) = 0.191% HB3 LEU 67 - HZ2 TRP 51 7.143% * 0.0809% (0.08 0.02 0.02) = 0.081% HB3 LYS+ 60 - HZ2 TRP 51 7.143% * 0.0500% (0.05 0.02 0.02) = 0.050% HG3 LYS+ 55 - HZ2 TRP 51 7.143% * 0.0278% (0.03 0.02 0.28) = 0.028% HD3 LYS+ 113 - HZ2 TRP 51 7.143% * 0.0248% (0.03 0.02 0.02) = 0.025% QB ALA 70 - HZ2 TRP 51 7.143% * 0.0221% (0.02 0.02 0.02) = 0.022% Peak 951 (8.23, 7.30, 114.60 ppm): 20 chemical-shift based assignments, quality = 0.856, support = 3.89, residual support = 25.8: * HN SER 49 - HN ILE 48 5.000% * 60.4104% (0.94 5.40 39.31) = 60.410% kept HN LEU 67 - HN ILE 48 5.000% * 19.1152% (0.73 2.23 9.52) = 19.115% kept HN GLY 58 - HN ILE 48 5.000% * 12.6571% (0.83 1.28 1.60) = 12.657% kept HN LYS+ 81 - HN ILE 48 5.000% * 3.7240% (0.73 0.43 0.02) = 3.724% kept HN GLU- 45 - HN ILE 48 5.000% * 2.2706% (0.57 0.34 0.02) = 2.271% kept HN GLY 58 - HZ2 TRP 51 5.000% * 1.1650% (0.10 1.02 3.68) = 1.165% kept HN VAL 94 - HN ILE 48 5.000% * 0.1975% (0.83 0.02 0.02) = 0.197% HN VAL 105 - HN ILE 48 5.000% * 0.1893% (0.80 0.02 0.02) = 0.189% HN THR 106 - HN ILE 48 5.000% * 0.0468% (0.20 0.02 0.02) = 0.047% HN LYS+ 117 - HN ILE 48 5.000% * 0.0468% (0.20 0.02 0.02) = 0.047% HN ASP- 115 - HN ILE 48 5.000% * 0.0365% (0.15 0.02 0.02) = 0.036% HN SER 49 - HZ2 TRP 51 5.000% * 0.0259% (0.11 0.02 0.02) = 0.026% HN VAL 94 - HZ2 TRP 51 5.000% * 0.0229% (0.10 0.02 0.02) = 0.023% HN VAL 105 - HZ2 TRP 51 5.000% * 0.0219% (0.09 0.02 0.02) = 0.022% HN LEU 67 - HZ2 TRP 51 5.000% * 0.0199% (0.08 0.02 0.02) = 0.020% HN LYS+ 81 - HZ2 TRP 51 5.000% * 0.0199% (0.08 0.02 0.41) = 0.020% HN GLU- 45 - HZ2 TRP 51 5.000% * 0.0155% (0.07 0.02 0.02) = 0.015% HN THR 106 - HZ2 TRP 51 5.000% * 0.0054% (0.02 0.02 0.02) = 0.005% HN LYS+ 117 - HZ2 TRP 51 5.000% * 0.0054% (0.02 0.02 0.02) = 0.005% HN ASP- 115 - HZ2 TRP 51 5.000% * 0.0042% (0.02 0.02 0.02) = 0.004% Peak 952 (0.71, 7.30, 114.60 ppm): 22 chemical-shift based assignments, quality = 0.891, support = 4.92, residual support = 95.0: * QG2 ILE 48 - HN ILE 48 4.545% * 82.5025% (0.98 5.78 113.80) = 82.503% kept HG LEU 67 - HN ILE 48 4.545% * 10.0536% (0.61 1.14 9.52) = 10.054% kept QD1 ILE 68 - HN ILE 48 4.545% * 3.0662% (0.61 0.35 0.02) = 3.066% kept HG LEU 74 - HN ILE 48 4.545% * 2.5036% (0.15 1.17 5.19) = 2.504% kept HG2 PRO 59 - HN ILE 48 4.545% * 0.8544% (0.65 0.09 0.02) = 0.854% QG2 ILE 101 - HN ILE 48 4.545% * 0.2690% (0.92 0.02 0.02) = 0.269% QG2 VAL 40 - HN ILE 48 4.545% * 0.2434% (0.83 0.02 0.02) = 0.243% HG LEU 74 - HZ2 TRP 51 4.545% * 0.1031% (0.02 0.42 0.02) = 0.103% HG3 LYS+ 66 - HN ILE 48 4.545% * 0.0810% (0.28 0.02 0.02) = 0.081% QD1 ILE 19 - HN ILE 48 4.545% * 0.0577% (0.20 0.02 0.02) = 0.058% QG2 VAL 94 - HN ILE 48 4.545% * 0.0450% (0.15 0.02 0.02) = 0.045% HG12 ILE 19 - HN ILE 48 4.545% * 0.0394% (0.14 0.02 0.02) = 0.039% QG2 ILE 48 - HZ2 TRP 51 4.545% * 0.0331% (0.11 0.02 2.35) = 0.033% QG2 ILE 101 - HZ2 TRP 51 4.545% * 0.0311% (0.11 0.02 0.92) = 0.031% QG2 VAL 40 - HZ2 TRP 51 4.545% * 0.0282% (0.10 0.02 0.02) = 0.028% HG2 PRO 59 - HZ2 TRP 51 4.545% * 0.0218% (0.07 0.02 0.02) = 0.022% HG LEU 67 - HZ2 TRP 51 4.545% * 0.0205% (0.07 0.02 0.02) = 0.020% QD1 ILE 68 - HZ2 TRP 51 4.545% * 0.0205% (0.07 0.02 0.02) = 0.020% HG3 LYS+ 66 - HZ2 TRP 51 4.545% * 0.0094% (0.03 0.02 0.02) = 0.009% QD1 ILE 19 - HZ2 TRP 51 4.545% * 0.0067% (0.02 0.02 0.02) = 0.007% QG2 VAL 94 - HZ2 TRP 51 4.545% * 0.0052% (0.02 0.02 0.02) = 0.005% HG12 ILE 19 - HZ2 TRP 51 4.545% * 0.0046% (0.02 0.02 0.02) = 0.005% Peak 953 (3.41, 7.30, 114.60 ppm): 12 chemical-shift based assignments, quality = 0.137, support = 5.19, residual support = 100.5: * O HA ILE 48 - HN ILE 48 8.333% * 85.9297% (0.14 10.0 5.82 113.80) = 85.930% kept HA VAL 62 - HN ILE 48 8.333% * 9.4826% (0.20 1.0 1.51 10.85) = 9.483% kept HB3 TRP 51 - HZ2 TRP 51 8.333% * 2.9718% (0.07 1.0 1.43 56.12) = 2.972% kept HA THR 39 - HN ILE 48 8.333% * 0.4611% (0.73 1.0 0.02 0.02) = 0.461% HB3 TRP 51 - HN ILE 48 8.333% * 0.3595% (0.57 1.0 0.02 2.35) = 0.359% HB2 SER 69 - HN ILE 48 8.333% * 0.3341% (0.53 1.0 0.02 1.99) = 0.334% HB THR 79 - HN ILE 48 8.333% * 0.3091% (0.49 1.0 0.02 0.02) = 0.309% HA THR 39 - HZ2 TRP 51 8.333% * 0.0534% (0.08 1.0 0.02 0.02) = 0.053% HB2 SER 69 - HZ2 TRP 51 8.333% * 0.0387% (0.06 1.0 0.02 0.02) = 0.039% HB THR 79 - HZ2 TRP 51 8.333% * 0.0358% (0.06 1.0 0.02 0.02) = 0.036% HA VAL 62 - HZ2 TRP 51 8.333% * 0.0145% (0.02 1.0 0.02 0.02) = 0.015% HA ILE 48 - HZ2 TRP 51 8.333% * 0.0099% (0.02 1.0 0.02 2.35) = 0.010% Peak 954 (2.13, 7.30, 114.60 ppm): 18 chemical-shift based assignments, quality = 0.905, support = 3.4, residual support = 13.2: * HB VAL 47 - HN ILE 48 5.556% * 77.1326% (0.99 4.21 16.99) = 77.133% kept HG3 GLU- 56 - HN ILE 48 5.556% * 7.0237% (0.31 1.23 1.45) = 7.024% kept HB3 GLU- 75 - HN ILE 48 5.556% * 6.8926% (0.79 0.47 0.02) = 6.893% kept HB2 ASP- 28 - HN ILE 48 5.556% * 6.1391% (0.99 0.34 0.02) = 6.139% kept HA1 GLY 58 - HN ILE 48 5.556% * 1.8638% (0.23 0.44 1.60) = 1.864% kept HG3 GLN 102 - HN ILE 48 5.556% * 0.3313% (0.90 0.02 0.02) = 0.331% HB3 LYS+ 78 - HN ILE 48 5.556% * 0.2389% (0.65 0.02 0.02) = 0.239% HB3 LEU 43 - HN ILE 48 5.556% * 0.1027% (0.28 0.02 2.14) = 0.103% HG2 PRO 104 - HN ILE 48 5.556% * 0.0500% (0.14 0.02 7.08) = 0.050% HB VAL 47 - HZ2 TRP 51 5.556% * 0.0424% (0.11 0.02 3.01) = 0.042% HB2 ASP- 28 - HZ2 TRP 51 5.556% * 0.0424% (0.11 0.02 0.02) = 0.042% HG3 GLN 102 - HZ2 TRP 51 5.556% * 0.0383% (0.10 0.02 0.02) = 0.038% HB3 GLU- 75 - HZ2 TRP 51 5.556% * 0.0340% (0.09 0.02 0.02) = 0.034% HB3 LYS+ 78 - HZ2 TRP 51 5.556% * 0.0277% (0.07 0.02 0.02) = 0.028% HG3 GLU- 56 - HZ2 TRP 51 5.556% * 0.0132% (0.04 0.02 0.02) = 0.013% HB3 LEU 43 - HZ2 TRP 51 5.556% * 0.0119% (0.03 0.02 0.02) = 0.012% HA1 GLY 58 - HZ2 TRP 51 5.556% * 0.0098% (0.03 0.02 3.68) = 0.010% HG2 PRO 104 - HZ2 TRP 51 5.556% * 0.0058% (0.02 0.02 0.02) = 0.006% Peak 955 (3.84, 7.30, 114.60 ppm): 16 chemical-shift based assignments, quality = 0.518, support = 5.78, residual support = 113.0: * O HA ILE 48 - HN ILE 48 6.250% * 99.2729% (0.52 10.0 5.82 113.80) = 99.273% kept HD3 PRO 86 - HN ILE 48 6.250% * 0.1752% (0.92 1.0 0.02 0.02) = 0.175% HA LYS+ 44 - HN ILE 48 6.250% * 0.1040% (0.55 1.0 0.02 0.53) = 0.104% HB3 SER 88 - HN ILE 48 6.250% * 0.0999% (0.53 1.0 0.02 0.02) = 0.100% HA2 GLY 92 - HN ILE 48 6.250% * 0.0924% (0.49 1.0 0.02 0.02) = 0.092% HA VAL 87 - HN ILE 48 6.250% * 0.0780% (0.41 1.0 0.02 0.02) = 0.078% HD3 PRO 116 - HN ILE 48 6.250% * 0.0586% (0.31 1.0 0.02 0.02) = 0.059% HB2 SER 85 - HN ILE 48 6.250% * 0.0332% (0.17 1.0 0.02 0.02) = 0.033% HD3 PRO 86 - HZ2 TRP 51 6.250% * 0.0203% (0.11 1.0 0.02 0.02) = 0.020% HA LYS+ 44 - HZ2 TRP 51 6.250% * 0.0120% (0.06 1.0 0.02 0.02) = 0.012% HB3 SER 88 - HZ2 TRP 51 6.250% * 0.0116% (0.06 1.0 0.02 0.02) = 0.012% HA ILE 48 - HZ2 TRP 51 6.250% * 0.0115% (0.06 1.0 0.02 2.35) = 0.011% HA2 GLY 92 - HZ2 TRP 51 6.250% * 0.0107% (0.06 1.0 0.02 0.02) = 0.011% HA VAL 87 - HZ2 TRP 51 6.250% * 0.0090% (0.05 1.0 0.02 0.02) = 0.009% HD3 PRO 116 - HZ2 TRP 51 6.250% * 0.0068% (0.04 1.0 0.02 0.02) = 0.007% HB2 SER 85 - HZ2 TRP 51 6.250% * 0.0038% (0.02 1.0 0.02 0.02) = 0.004% Peak 956 (0.87, 7.30, 114.60 ppm): 30 chemical-shift based assignments, quality = 0.652, support = 3.51, residual support = 14.8: * QG2 VAL 47 - HN ILE 48 3.333% * 64.7433% (0.87 3.90 16.99) = 64.743% kept QG1 VAL 47 - HN ILE 48 3.333% * 17.8617% (0.20 4.72 16.99) = 17.862% kept HG LEU 74 - HN ILE 48 3.333% * 10.8367% (0.49 1.17 5.19) = 10.837% kept QD1 LEU 67 - HN ILE 48 3.333% * 2.2425% (0.15 0.76 9.52) = 2.243% kept QG2 VAL 47 - HZ2 TRP 51 3.333% * 0.9372% (0.10 0.49 3.01) = 0.937% HG LEU 74 - HZ2 TRP 51 3.333% * 0.4463% (0.06 0.42 0.02) = 0.446% QG2 VAL 122 - HN ILE 48 3.333% * 0.3817% (1.00 0.02 0.02) = 0.382% QG1 VAL 40 - HN ILE 48 3.333% * 0.3532% (0.92 0.02 0.02) = 0.353% QG2 VAL 125 - HN ILE 48 3.333% * 0.3431% (0.90 0.02 0.02) = 0.343% QG2 ILE 100 - HN ILE 48 3.333% * 0.3196% (0.83 0.02 0.02) = 0.320% QD1 LEU 90 - HN ILE 48 3.333% * 0.3064% (0.80 0.02 0.02) = 0.306% QG1 VAL 122 - HN ILE 48 3.333% * 0.2778% (0.73 0.02 0.02) = 0.278% QG1 VAL 80 - HN ILE 48 3.333% * 0.2166% (0.57 0.02 0.02) = 0.217% HB ILE 101 - HN ILE 48 3.333% * 0.1573% (0.41 0.02 0.02) = 0.157% HG3 LYS+ 117 - HN ILE 48 3.333% * 0.1064% (0.28 0.02 0.02) = 0.106% QG2 VAL 105 - HN ILE 48 3.333% * 0.0852% (0.22 0.02 0.02) = 0.085% HG2 LYS+ 117 - HN ILE 48 3.333% * 0.0670% (0.17 0.02 0.02) = 0.067% QG2 VAL 122 - HZ2 TRP 51 3.333% * 0.0442% (0.12 0.02 0.02) = 0.044% QG1 VAL 40 - HZ2 TRP 51 3.333% * 0.0409% (0.11 0.02 0.02) = 0.041% QG2 VAL 125 - HZ2 TRP 51 3.333% * 0.0397% (0.10 0.02 0.02) = 0.040% QG2 ILE 100 - HZ2 TRP 51 3.333% * 0.0370% (0.10 0.02 0.57) = 0.037% QD1 LEU 90 - HZ2 TRP 51 3.333% * 0.0355% (0.09 0.02 0.02) = 0.035% QG1 VAL 122 - HZ2 TRP 51 3.333% * 0.0321% (0.08 0.02 0.02) = 0.032% QG1 VAL 80 - HZ2 TRP 51 3.333% * 0.0251% (0.07 0.02 0.02) = 0.025% HB ILE 101 - HZ2 TRP 51 3.333% * 0.0182% (0.05 0.02 0.92) = 0.018% HG3 LYS+ 117 - HZ2 TRP 51 3.333% * 0.0123% (0.03 0.02 0.02) = 0.012% QG2 VAL 105 - HZ2 TRP 51 3.333% * 0.0099% (0.03 0.02 0.02) = 0.010% QG1 VAL 47 - HZ2 TRP 51 3.333% * 0.0088% (0.02 0.02 3.01) = 0.009% HG2 LYS+ 117 - HZ2 TRP 51 3.333% * 0.0078% (0.02 0.02 0.02) = 0.008% QD1 LEU 67 - HZ2 TRP 51 3.333% * 0.0068% (0.02 0.02 0.02) = 0.007% 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): 3 chemical-shift based assignments, quality = 0.729, support = 1.54, residual support = 8.86: * HA1 GLY 58 - HD21 ASN 57 33.333% * 64.2547% (0.63 1.97 13.44) = 64.255% kept HB2 HIS+ 98 - HD21 ASN 57 33.333% * 35.6018% (0.90 0.77 0.64) = 35.602% kept HE3 LYS+ 60 - HD21 ASN 57 33.333% * 0.1435% (0.14 0.02 0.02) = 0.144% Peak 961 (6.96, 7.62, 113.99 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 1.0, residual support = 5.72: * O T HD22 ASN 57 - HD21 ASN 57 100.000% *100.0000% (0.99 10.0 10.00 1.00 5.72) = 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): 4 chemical-shift based assignments, quality = 0.699, support = 1.52, residual support = 8.83: * HA1 GLY 58 - HD22 ASN 57 25.000% * 64.1316% (0.64 1.97 13.44) = 64.132% kept HB2 HIS+ 98 - HD22 ASN 57 25.000% * 33.5306% (0.85 0.77 0.64) = 33.531% kept HG3 MET 97 - HD22 ASN 57 25.000% * 2.0147% (0.26 0.15 0.02) = 2.015% kept HE3 LYS+ 60 - HD22 ASN 57 25.000% * 0.3231% (0.31 0.02 0.02) = 0.323% Peak 965 (7.62, 6.97, 113.99 ppm): 3 chemical-shift based assignments, quality = 0.995, support = 0.999, residual support = 5.71: * O T HD21 ASN 57 - HD22 ASN 57 33.333% * 99.8786% (1.00 10.0 10.00 1.00 5.72) = 99.879% kept HN ASP- 25 - HD22 ASN 57 33.333% * 0.0727% (0.73 1.0 1.00 0.02 0.02) = 0.073% HD21 ASN 89 - HD22 ASN 57 33.333% * 0.0487% (0.49 1.0 1.00 0.02 0.02) = 0.049% Peak 966 (6.97, 6.97, 113.99 ppm): 1 diagonal assignment: * HD22 ASN 57 - HD22 ASN 57 (1.00) kept Peak 972 (8.27, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 973 (4.32, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 974 (7.61, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 975 (3.65, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 976 (7.58, 7.59, 112.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 977 (4.78, 7.59, 112.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 978 (6.89, 7.59, 112.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 979 (2.75, 7.59, 112.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 980 (6.89, 6.89, 112.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 981 (7.59, 6.89, 112.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 982 (2.79, 6.89, 112.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 983 (4.77, 6.89, 112.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 7 chemical-shift based assignments, quality = 0.723, support = 0.98, residual support = 5.77: * O HB3 ASN 89 - HD21 ASN 89 14.286% * 97.8054% (0.73 10.0 1.00 5.90) = 97.805% kept HA1 GLY 58 - HD21 ASN 89 14.286% * 1.4195% (0.90 1.0 0.12 0.02) = 1.420% kept HB2 ASN 119 - HD21 ASN 89 14.286% * 0.2670% (0.99 1.0 0.02 0.02) = 0.267% HB3 ASN 57 - HD21 ASN 89 14.286% * 0.2670% (0.99 1.0 0.02 0.02) = 0.267% HA2 GLY 58 - HD21 ASN 89 14.286% * 0.1107% (0.41 1.0 0.02 0.02) = 0.111% HE3 LYS+ 32 - HD21 ASN 89 14.286% * 0.0831% (0.31 1.0 0.02 0.02) = 0.083% HE3 LYS+ 111 - HD21 ASN 89 14.286% * 0.0472% (0.18 1.0 0.02 0.02) = 0.047% Peak 989 (6.87, 7.64, 112.96 ppm): 3 chemical-shift based assignments, quality = 0.617, support = 0.484, residual support = 0.241: QD PHE 21 - HD21 ASN 89 33.333% * 91.6875% (0.61 0.53 0.25) = 91.687% kept HD21 ASN 119 - HD21 ASN 89 33.333% * 4.5979% (0.80 0.02 0.02) = 4.598% kept HZ PHE 21 - HD21 ASN 89 33.333% * 3.7146% (0.65 0.02 0.25) = 3.715% kept Not enough total support, support cutoff is 0.50 Peak unassigned. 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): 7 chemical-shift based assignments, quality = 0.917, support = 2.13, residual support = 7.71: * O HB2 ASN 119 - HD22 ASN 119 14.286% * 99.5126% (0.92 10.0 2.14 7.75) = 99.513% kept HB3 ASN 89 - HD22 ASN 119 14.286% * 0.1040% (0.96 1.0 0.02 0.02) = 0.104% HB3 ASN 57 - HD22 ASN 119 14.286% * 0.0995% (0.92 1.0 0.02 0.02) = 0.100% HA1 GLY 58 - HD22 ASN 119 14.286% * 0.0959% (0.89 1.0 0.02 0.02) = 0.096% HA2 GLY 58 - HD22 ASN 119 14.286% * 0.0783% (0.73 1.0 0.02 0.02) = 0.078% HE3 LYS+ 32 - HD22 ASN 119 14.286% * 0.0654% (0.61 1.0 0.02 0.02) = 0.065% HE3 LYS+ 111 - HD22 ASN 119 14.286% * 0.0443% (0.41 1.0 0.02 0.02) = 0.044% Peak 993 (6.88, 7.57, 112.23 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 1.05, residual support = 7.73: * O HD21 ASN 119 - HD22 ASN 119 33.333% * 99.7698% (1.00 10.0 1.06 7.75) = 99.770% kept QD PHE 21 - HD22 ASN 119 33.333% * 0.1829% (0.96 1.0 0.02 0.02) = 0.183% HZ PHE 21 - HD22 ASN 119 33.333% * 0.0473% (0.25 1.0 0.02 0.02) = 0.047% Peak 994 (7.57, 7.57, 112.23 ppm): 1 diagonal assignment: * HD22 ASN 119 - HD22 ASN 119 (1.00) kept Peak 995 (4.68, 7.57, 112.23 ppm): 6 chemical-shift based assignments, quality = 0.829, support = 0.981, residual support = 6.44: * HA ASN 119 - HD22 ASN 119 16.667% * 73.8194% (1.00 0.99 7.75) = 73.819% kept HA LYS+ 120 - HD22 ASN 119 16.667% * 21.6636% (0.25 1.16 3.32) = 21.664% kept HA ASN 89 - HD22 ASN 119 16.667% * 1.4923% (1.00 0.02 0.02) = 1.492% kept HA THR 61 - HD22 ASN 119 16.667% * 1.4660% (0.98 0.02 0.02) = 1.466% kept HA TYR 83 - HD22 ASN 119 16.667% * 1.1430% (0.76 0.02 0.02) = 1.143% kept HA ASP- 36 - HD22 ASN 119 16.667% * 0.4158% (0.28 0.02 0.02) = 0.416% Peak 996 (7.59, 8.15, 110.39 ppm): 4 chemical-shift based assignments, quality = 0.952, support = 3.64, residual support = 10.6: * T HN LYS+ 78 - HN SER 77 25.000% * 98.6734% (0.96 10.00 3.68 10.69) = 98.673% kept HD22 ASN 119 - HN SER 77 25.000% * 1.2497% (0.34 1.00 0.72 0.02) = 1.250% kept HN ASP- 25 - HN SER 77 25.000% * 0.0420% (0.41 1.00 0.02 0.02) = 0.042% HN VAL 65 - HN SER 77 25.000% * 0.0349% (0.34 1.00 0.02 0.02) = 0.035% Peak 997 (8.15, 8.15, 110.39 ppm): 1 diagonal assignment: * HN SER 77 - HN SER 77 (0.96) kept Peak 998 (4.49, 8.15, 110.39 ppm): 9 chemical-shift based assignments, quality = 0.926, support = 1.09, residual support = 1.8: * O HA SER 77 - HN SER 77 11.111% * 50.3466% (0.86 10.0 1.18 3.20) = 50.347% kept O HA ASN 76 - HN SER 77 11.111% * 49.3613% (1.00 10.0 1.00 0.38) = 49.361% kept HA CYS 123 - HN SER 77 11.111% * 0.0934% (0.94 1.0 0.02 0.02) = 0.093% HB THR 46 - HN SER 77 11.111% * 0.0481% (0.48 1.0 0.02 0.02) = 0.048% HA LYS+ 55 - HN SER 77 11.111% * 0.0481% (0.48 1.0 0.02 0.02) = 0.048% HA LYS+ 32 - HN SER 77 11.111% * 0.0337% (0.34 1.0 0.02 0.02) = 0.034% HA PRO 86 - HN SER 77 11.111% * 0.0274% (0.28 1.0 0.02 0.02) = 0.027% HA ILE 100 - HN SER 77 11.111% * 0.0220% (0.22 1.0 0.02 0.02) = 0.022% HA ILE 101 - HN SER 77 11.111% * 0.0195% (0.20 1.0 0.02 0.02) = 0.020% Peak 999 (2.83, 8.15, 110.39 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 0.02, residual support = 0.02: HB3 ASN 119 - HN SER 77 25.000% * 40.7401% (0.89 0.02 0.02) = 40.740% kept HA1 GLY 58 - HN SER 77 25.000% * 37.2835% (0.82 0.02 0.02) = 37.283% kept HE3 LYS+ 111 - HN SER 77 25.000% * 14.0208% (0.31 0.02 0.02) = 14.021% kept HE3 LYS+ 32 - HN SER 77 25.000% * 7.9556% (0.17 0.02 0.02) = 7.956% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1000 (3.86, 8.15, 110.39 ppm): 10 chemical-shift based assignments, quality = 0.133, support = 1.66, residual support = 3.05: * O HB3 SER 77 - HN SER 77 10.000% * 95.2758% (0.14 10.0 1.74 3.20) = 95.276% kept HA VAL 87 - HN SER 77 10.000% * 0.7785% (0.99 1.0 0.02 0.02) = 0.779% HB3 SER 88 - HN SER 77 10.000% * 0.7734% (0.99 1.0 0.02 0.02) = 0.773% HB2 SER 85 - HN SER 77 10.000% * 0.6517% (0.83 1.0 0.02 0.02) = 0.652% HD3 PRO 86 - HN SER 77 10.000% * 0.5360% (0.68 1.0 0.02 0.02) = 0.536% HA LYS+ 44 - HN SER 77 10.000% * 0.4972% (0.63 1.0 0.02 0.02) = 0.497% HA VAL 125 - HN SER 77 10.000% * 0.4418% (0.56 1.0 0.02 0.02) = 0.442% HD2 PRO 116 - HN SER 77 10.000% * 0.3798% (0.48 1.0 0.02 0.02) = 0.380% HA ILE 48 - HN SER 77 10.000% * 0.3451% (0.44 1.0 0.02 0.02) = 0.345% HD2 PRO 86 - HN SER 77 10.000% * 0.3208% (0.41 1.0 0.02 0.02) = 0.321% Not enough quality. Peak unassigned. Peak 1001 (4.10, 8.15, 110.39 ppm): 7 chemical-shift based assignments, quality = 0.659, support = 0.0961, residual support = 0.02: HA VAL 105 - HN SER 77 14.286% * 39.2985% (0.86 0.09 0.02) = 39.299% kept HB THR 106 - HN SER 77 14.286% * 31.6557% (0.37 0.17 0.02) = 31.656% kept HA ALA 70 - HN SER 77 14.286% * 9.8366% (0.99 0.02 0.02) = 9.837% kept HA LYS+ 44 - HN SER 77 14.286% * 6.7886% (0.69 0.02 0.02) = 6.789% kept HA THR 46 - HN SER 77 14.286% * 5.9795% (0.60 0.02 0.02) = 5.979% kept HA LYS+ 63 - HN SER 77 14.286% * 3.7000% (0.37 0.02 0.02) = 3.700% kept HA ARG+ 53 - HN SER 77 14.286% * 2.7410% (0.28 0.02 0.02) = 2.741% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1002 (2.38, 8.15, 110.39 ppm): 4 chemical-shift based assignments, quality = 0.926, support = 2.08, residual support = 10.5: * HB2 LYS+ 78 - HN SER 77 25.000% * 98.3700% (0.94 2.11 10.69) = 98.370% kept HB3 ASP- 28 - HN SER 77 25.000% * 0.7516% (0.76 0.02 0.02) = 0.752% HA1 GLY 58 - HN SER 77 25.000% * 0.6594% (0.67 0.02 0.02) = 0.659% HB2 CYS 121 - HN SER 77 25.000% * 0.2190% (0.22 0.02 0.02) = 0.219% Peak 1003 (2.17, 8.15, 110.39 ppm): 10 chemical-shift based assignments, quality = 0.599, support = 1.54, residual support = 6.53: * HB3 LYS+ 78 - HN SER 77 10.000% * 61.0374% (0.48 2.30 10.69) = 61.037% kept HG2 PRO 104 - HN SER 77 10.000% * 24.9319% (0.99 0.46 0.02) = 24.932% kept HB3 GLU- 75 - HN SER 77 10.000% * 6.0281% (0.46 0.24 0.02) = 6.028% kept HB3 PRO 104 - HN SER 77 10.000% * 5.2774% (0.56 0.17 0.02) = 5.277% kept HG2 GLN 102 - HN SER 77 10.000% * 0.8724% (0.80 0.02 0.02) = 0.872% HB2 ASP- 82 - HN SER 77 10.000% * 0.8326% (0.76 0.02 0.02) = 0.833% HB VAL 99 - HN SER 77 10.000% * 0.3029% (0.28 0.02 0.02) = 0.303% HA1 GLY 58 - HN SER 77 10.000% * 0.2981% (0.27 0.02 0.02) = 0.298% HG3 GLN 102 - HN SER 77 10.000% * 0.2717% (0.25 0.02 0.02) = 0.272% HG2 MET 126 - HN SER 77 10.000% * 0.1475% (0.13 0.02 0.02) = 0.147% Peak 1004 (6.64, 7.37, 110.39 ppm): 1 chemical-shift based assignment, quality = 0.434, support = 1.0, residual support = 24.0: * O T HE21 GLN 102 - HE22 GLN 102 100.000% *100.0000% (0.43 10.0 10.00 1.00 24.03) = 100.000% kept Peak 1005 (2.23, 7.37, 110.14 ppm): 12 chemical-shift based assignments, quality = 0.644, support = 0.759, residual support = 1.83: HG3 GLU- 75 - HE22 GLN 102 8.333% * 31.6180% (0.99 0.77 3.10) = 31.618% kept HG3 MET 126 - HE22 GLN 102 8.333% * 20.1166% (0.37 1.30 3.44) = 20.117% kept HG3 GLU- 109 - HE22 GLN 102 8.333% * 16.7317% (0.45 0.91 0.10) = 16.732% kept HB2 GLU- 50 - HE22 GLN 102 8.333% * 11.0098% (0.56 0.47 0.32) = 11.010% kept * HG3 GLU- 18 - HE22 GLN 102 8.333% * 6.6324% (0.64 0.25 1.52) = 6.632% kept HB3 PRO 52 - HE22 GLN 102 8.333% * 4.8659% (0.89 0.13 0.02) = 4.866% kept HG3 GLU- 54 - HE22 GLN 102 8.333% * 3.5707% (0.13 0.64 0.13) = 3.571% kept HG3 MET 118 - HE22 GLN 102 8.333% * 3.4660% (0.80 0.11 0.02) = 3.466% kept HG2 GLU- 56 - HE22 GLN 102 8.333% * 0.7382% (0.89 0.02 0.02) = 0.738% HG3 GLU- 107 - HE22 GLN 102 8.333% * 0.4992% (0.60 0.02 0.02) = 0.499% HB VAL 80 - HE22 GLN 102 8.333% * 0.4331% (0.52 0.02 0.02) = 0.433% HA1 GLY 58 - HE22 GLN 102 8.333% * 0.3184% (0.38 0.02 0.02) = 0.318% Peak 1006 (2.08, 7.37, 110.14 ppm): 12 chemical-shift based assignments, quality = 0.917, support = 1.66, residual support = 1.8: HB3 GLU- 75 - HE22 GLN 102 8.333% * 36.5534% (0.98 2.48 3.10) = 36.553% kept HD3 LYS+ 110 - HE22 GLN 102 8.333% * 22.4556% (0.99 1.51 1.48) = 22.456% kept HB2 LYS+ 110 - HE22 GLN 102 8.333% * 19.5079% (0.96 1.35 1.48) = 19.508% kept HG3 ARG+ 53 - HE22 GLN 102 8.333% * 8.3073% (0.52 1.05 0.52) = 8.307% kept HB3 LYS+ 120 - HE22 GLN 102 8.333% * 7.5127% (0.86 0.58 0.02) = 7.513% kept HB VAL 125 - HE22 GLN 102 8.333% * 4.8336% (0.89 0.36 0.02) = 4.834% kept HB2 LEU 43 - HE22 GLN 102 8.333% * 0.2769% (0.92 0.02 0.02) = 0.277% HB VAL 87 - HE22 GLN 102 8.333% * 0.1940% (0.64 0.02 0.02) = 0.194% HB VAL 65 - HE22 GLN 102 8.333% * 0.1819% (0.60 0.02 0.02) = 0.182% HB3 LEU 43 - HE22 GLN 102 8.333% * 0.0668% (0.22 0.02 0.02) = 0.067% HG3 GLU- 56 - HE22 GLN 102 8.333% * 0.0594% (0.20 0.02 0.02) = 0.059% HA1 GLY 58 - HE22 GLN 102 8.333% * 0.0507% (0.17 0.02 0.02) = 0.051% 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): 2 chemical-shift based assignments, quality = 0.452, support = 0.364, residual support = 0.293: HB3 GLU- 50 - HE22 GLN 102 50.000% * 90.4672% (0.41 0.40 0.32) = 90.467% kept HB ILE 48 - HE22 GLN 102 50.000% * 9.5328% (0.86 0.02 0.02) = 9.533% kept Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 1009 (8.32, 8.32, 110.11 ppm): 1 diagonal assignment: * HN GLY 114 - HN GLY 114 (0.96) kept Peak 1010 (4.25, 8.32, 110.11 ppm): 14 chemical-shift based assignments, quality = 0.979, support = 0.979, residual support = 0.936: * O HA2 GLY 114 - HN GLY 114 7.143% * 97.5606% (1.00 10.0 1.00 0.96) = 97.561% kept HA SER 85 - HN GLY 114 7.143% * 1.1026% (0.41 1.0 0.27 0.02) = 1.103% kept HA GLU- 56 - HN GLY 114 7.143% * 0.1913% (0.98 1.0 0.02 0.02) = 0.191% HA LYS+ 108 - HN GLY 114 7.143% * 0.1750% (0.90 1.0 0.02 0.15) = 0.175% HA PRO 59 - HN GLY 114 7.143% * 0.1693% (0.87 1.0 0.02 0.02) = 0.169% HA GLU- 75 - HN GLY 114 7.143% * 0.1630% (0.83 1.0 0.02 0.02) = 0.163% HA ARG+ 84 - HN GLY 114 7.143% * 0.1027% (0.53 1.0 0.02 0.02) = 0.103% HA VAL 65 - HN GLY 114 7.143% * 0.0950% (0.49 1.0 0.02 0.02) = 0.095% HA PRO 52 - HN GLY 114 7.143% * 0.0802% (0.41 1.0 0.02 0.02) = 0.080% HD3 PRO 59 - HN GLY 114 7.143% * 0.0802% (0.41 1.0 0.02 0.02) = 0.080% HA GLU- 54 - HN GLY 114 7.143% * 0.0802% (0.41 1.0 0.02 0.02) = 0.080% HA ALA 91 - HN GLY 114 7.143% * 0.0732% (0.37 1.0 0.02 0.02) = 0.073% HA SER 49 - HN GLY 114 7.143% * 0.0666% (0.34 1.0 0.02 0.02) = 0.067% HA GLU- 18 - HN GLY 114 7.143% * 0.0602% (0.31 1.0 0.02 0.02) = 0.060% Peak 1011 (4.78, 8.32, 110.11 ppm): 4 chemical-shift based assignments, quality = 0.906, support = 0.977, residual support = 1.03: * O HA LYS+ 113 - HN GLY 114 25.000% * 88.2343% (0.90 10.0 1.00 1.16) = 88.234% kept HA ASP- 115 - HN GLY 114 25.000% * 9.2289% (0.98 1.0 0.96 0.02) = 9.229% kept HA PRO 116 - HN GLY 114 25.000% * 2.5023% (1.00 1.0 0.25 0.02) = 2.502% kept HA VAL 40 - HN GLY 114 25.000% * 0.0345% (0.17 1.0 0.02 0.02) = 0.034% Peak 1012 (3.89, 8.32, 110.11 ppm): 10 chemical-shift based assignments, quality = 0.609, support = 0.369, residual support = 0.178: HA LYS+ 44 - HN GLY 114 10.000% * 32.4790% (0.76 0.41 0.02) = 32.479% kept HB2 SER 77 - HN GLY 114 10.000% * 28.2104% (0.53 0.51 0.39) = 28.210% kept HD2 PRO 116 - HN GLY 114 10.000% * 14.6187% (0.80 0.17 0.02) = 14.619% kept HB3 SER 77 - HN GLY 114 10.000% * 14.5036% (0.33 0.42 0.39) = 14.504% kept HB2 SER 85 - HN GLY 114 10.000% * 4.0756% (0.45 0.09 0.02) = 4.076% kept HD2 PRO 86 - HN GLY 114 10.000% * 1.8141% (0.87 0.02 0.02) = 1.814% kept HA VAL 87 - HN GLY 114 10.000% * 1.7990% (0.20 0.09 0.02) = 1.799% kept HA VAL 125 - HN GLY 114 10.000% * 1.5187% (0.73 0.02 0.02) = 1.519% kept HA ILE 48 - HN GLY 114 10.000% * 0.6977% (0.33 0.02 0.02) = 0.698% HB3 SER 88 - HN GLY 114 10.000% * 0.2830% (0.14 0.02 0.02) = 0.283% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 1013 (4.89, 8.32, 110.11 ppm): 5 chemical-shift based assignments, quality = 0.476, support = 0.02, residual support = 0.02: HA SER 69 - HN GLY 114 20.000% * 32.1704% (0.69 0.02 0.02) = 32.170% kept HA ILE 19 - HN GLY 114 20.000% * 20.9970% (0.45 0.02 0.02) = 20.997% kept HA GLN 102 - HN GLY 114 20.000% * 17.5772% (0.37 0.02 0.02) = 17.577% kept HA ALA 33 - HN GLY 114 20.000% * 17.5772% (0.37 0.02 0.02) = 17.577% kept HA HIS+ 98 - HN GLY 114 20.000% * 11.6781% (0.25 0.02 0.02) = 11.678% kept Not enough support, support cutoff is 0.25 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): 13 chemical-shift based assignments, quality = 0.729, support = 0.492, residual support = 0.0193: HA LYS+ 110 - HN GLY 92 7.692% * 34.0708% (0.98 0.57 0.02) = 34.071% kept HA GLU- 18 - HN GLY 92 7.692% * 23.1500% (0.68 0.55 0.02) = 23.150% kept HA GLU- 109 - HN GLY 92 7.692% * 20.7579% (0.83 0.41 0.02) = 20.758% kept HA GLU- 64 - HN GLY 92 7.692% * 9.7817% (0.31 0.52 0.02) = 9.782% kept HA LYS+ 44 - HN GLY 92 7.692% * 6.3367% (0.19 0.53 0.02) = 6.337% kept HB3 SER 49 - HN GLY 92 7.692% * 1.2083% (0.99 0.02 0.02) = 1.208% kept HA ALA 42 - HN GLY 92 7.692% * 1.1765% (0.96 0.02 0.02) = 1.177% kept HA LYS+ 108 - HN GLY 92 7.692% * 0.9704% (0.15 0.10 0.02) = 0.970% HA SER 49 - HN GLY 92 7.692% * 0.7887% (0.64 0.02 0.02) = 0.789% HA GLU- 54 - HN GLY 92 7.692% * 0.6902% (0.56 0.02 0.02) = 0.690% HA ASP- 82 - HN GLY 92 7.692% * 0.6902% (0.56 0.02 0.02) = 0.690% HA PRO 59 - HN GLY 92 7.692% * 0.2135% (0.17 0.02 0.02) = 0.214% HA MET 126 - HN GLY 92 7.692% * 0.1650% (0.13 0.02 0.02) = 0.165% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 1018 (3.81, 8.47, 109.53 ppm): 7 chemical-shift based assignments, quality = 0.486, support = 2.37, residual support = 8.23: * O HA2 GLY 92 - HN GLY 92 14.286% * 92.2172% (0.48 10.0 2.53 8.93) = 92.217% kept HD3 PRO 116 - HN GLY 92 14.286% * 4.6344% (0.68 1.0 0.71 0.02) = 4.634% kept HA LYS+ 44 - HN GLY 92 14.286% * 1.9460% (0.39 1.0 0.53 0.02) = 1.946% kept HA ILE 48 - HN GLY 92 14.286% * 0.6427% (0.68 1.0 0.10 0.02) = 0.643% HB3 SER 41 - HN GLY 92 14.286% * 0.1890% (0.99 1.0 0.02 0.02) = 0.189% HA GLU- 45 - HN GLY 92 14.286% * 0.1878% (0.99 1.0 0.02 0.02) = 0.188% HD3 PRO 112 - HN GLY 92 14.286% * 0.1828% (0.96 1.0 0.02 0.02) = 0.183% Peak 1019 (3.96, 8.47, 109.53 ppm): 6 chemical-shift based assignments, quality = 0.534, support = 2.46, residual support = 9.71: * O HA1 GLY 92 - HN GLY 92 16.667% * 68.3093% (0.34 10.0 2.53 8.93) = 68.309% kept HA ALA 93 - HN GLY 92 16.667% * 26.0886% (0.96 1.0 2.70 13.83) = 26.089% kept HA LYS+ 44 - HN GLY 92 16.667% * 5.2412% (0.98 1.0 0.53 0.02) = 5.241% kept HB3 SER 77 - HN GLY 92 16.667% * 0.1952% (0.97 1.0 0.02 0.02) = 0.195% HA1 GLY 114 - HN GLY 92 16.667% * 0.0975% (0.48 1.0 0.02 0.02) = 0.097% HB THR 95 - HN GLY 92 16.667% * 0.0683% (0.34 1.0 0.02 0.02) = 0.068% Peak 1020 (7.80, 8.47, 109.53 ppm): 5 chemical-shift based assignments, quality = 0.991, support = 3.0, residual support = 13.8: * T HN ALA 93 - HN GLY 92 20.000% * 99.7691% (0.99 10.00 3.01 13.83) = 99.769% kept HN LYS+ 55 - HN GLY 92 20.000% * 0.0801% (0.80 1.00 0.02 0.02) = 0.080% HN VAL 87 - HN GLY 92 20.000% * 0.0687% (0.68 1.00 0.02 0.02) = 0.069% HN THR 46 - HN GLY 92 20.000% * 0.0647% (0.64 1.00 0.02 0.02) = 0.065% HN LYS+ 63 - HN GLY 92 20.000% * 0.0175% (0.17 1.00 0.02 0.02) = 0.018% Peak 1021 (1.36, 8.47, 109.53 ppm): 8 chemical-shift based assignments, quality = 0.917, support = 2.1, residual support = 4.72: * QB ALA 91 - HN GLY 92 12.500% * 65.9999% (0.96 2.89 7.14) = 66.000% kept HG13 ILE 19 - HN GLY 92 12.500% * 16.3271% (0.99 0.70 0.02) = 16.327% kept HB3 LYS+ 20 - HN GLY 92 12.500% * 8.7545% (0.92 0.40 0.02) = 8.754% kept HG LEU 74 - HN GLY 92 12.500% * 7.7330% (0.54 0.60 0.10) = 7.733% kept HG3 ARG+ 22 - HN GLY 92 12.500% * 0.4721% (0.99 0.02 0.02) = 0.472% HB2 LEU 17 - HN GLY 92 12.500% * 0.2679% (0.56 0.02 0.02) = 0.268% HG2 LYS+ 78 - HN GLY 92 12.500% * 0.2679% (0.56 0.02 0.02) = 0.268% QG2 THR 39 - HN GLY 92 12.500% * 0.1776% (0.37 0.02 0.02) = 0.178% Peak 1022 (8.29, 8.47, 109.53 ppm): 5 chemical-shift based assignments, quality = 0.886, support = 3.27, residual support = 6.74: * HN ALA 91 - HN GLY 92 20.000% * 94.4562% (0.92 3.44 7.14) = 94.456% kept HN VAL 99 - HN GLY 92 20.000% * 4.5660% (0.41 0.37 0.02) = 4.566% kept HN ASP- 28 - HN GLY 92 20.000% * 0.5492% (0.92 0.02 0.02) = 0.549% HN ASN 89 - HN GLY 92 20.000% * 0.3368% (0.56 0.02 0.02) = 0.337% HN ASN 76 - HN GLY 92 20.000% * 0.0918% (0.15 0.02 0.02) = 0.092% Peak 1023 (4.78, 8.47, 109.53 ppm): 5 chemical-shift based assignments, quality = 0.978, support = 0.671, residual support = 0.0198: HA ASP- 115 - HN GLY 92 20.000% * 94.1365% (0.99 0.71 0.02) = 94.136% kept HA PRO 116 - HN GLY 92 20.000% * 2.5968% (0.98 0.02 0.02) = 2.597% kept HA LYS+ 113 - HN GLY 92 20.000% * 2.2129% (0.83 0.02 0.02) = 2.213% kept HA VAL 40 - HN GLY 92 20.000% * 0.5898% (0.22 0.02 0.02) = 0.590% HA MET 118 - HN GLY 92 20.000% * 0.4640% (0.17 0.02 0.02) = 0.464% 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): 9 chemical-shift based assignments, quality = 0.904, support = 2.44, residual support = 4.79: O HA1 GLY 26 - HN GLY 26 11.111% * 55.3659% (0.99 10.0 2.44 4.80) = 55.366% kept * O HA2 GLY 26 - HN GLY 26 11.111% * 44.4322% (0.80 10.0 2.44 4.80) = 44.432% kept HA LYS+ 117 - HN GLY 26 11.111% * 0.0498% (0.89 1.0 0.02 0.02) = 0.050% HB THR 61 - HN GLY 26 11.111% * 0.0381% (0.68 1.0 0.02 0.02) = 0.038% HA VAL 94 - HN GLY 26 11.111% * 0.0337% (0.60 1.0 0.02 0.02) = 0.034% HA THR 38 - HN GLY 26 11.111% * 0.0270% (0.48 1.0 0.02 0.02) = 0.027% HA LYS+ 60 - HN GLY 26 11.111% * 0.0208% (0.37 1.0 0.02 0.02) = 0.021% HA ALA 37 - HN GLY 26 11.111% * 0.0171% (0.31 1.0 0.02 0.02) = 0.017% HA ASN 57 - HN GLY 26 11.111% * 0.0154% (0.28 1.0 0.02 0.02) = 0.015% Peak 1029 (3.52, 8.12, 108.56 ppm): 3 chemical-shift based assignments, quality = 0.446, support = 1.94, residual support = 4.28: HA ILE 48 - HN GLY 26 33.333% * 84.6458% (0.48 2.22 5.05) = 84.646% kept HB3 SER 69 - HN GLY 26 33.333% * 10.2097% (0.34 0.38 0.02) = 10.210% kept HA1 GLY 30 - HN GLY 26 33.333% * 5.1445% (0.13 0.48 0.02) = 5.145% kept Peak 1030 (7.60, 8.12, 108.56 ppm): 3 chemical-shift based assignments, quality = 0.909, support = 2.63, residual support = 7.59: * T HN ASP- 25 - HN GLY 26 33.333% * 98.9307% (0.92 10.00 2.66 7.67) = 98.931% kept HD21 ASN 57 - HN GLY 26 33.333% * 0.5476% (0.52 1.00 0.19 0.02) = 0.548% T HN LYS+ 78 - HN GLY 26 33.333% * 0.5217% (0.48 10.00 0.02 0.02) = 0.522% Peak 1031 (7.99, 8.12, 108.56 ppm): 4 chemical-shift based assignments, quality = 0.4, support = 2.12, residual support = 4.35: * HN SER 27 - HN GLY 26 25.000% * 80.0326% (0.28 2.61 5.43) = 80.033% kept HN LEU 43 - HN GLY 26 25.000% * 17.7551% (0.94 0.17 0.02) = 17.755% kept HN MET 126 - HN GLY 26 25.000% * 1.5997% (0.72 0.02 0.02) = 1.600% kept HN LYS+ 111 - HN GLY 26 25.000% * 0.6125% (0.28 0.02 0.02) = 0.613% Peak 1032 (4.58, 8.12, 108.56 ppm): 2 chemical-shift based assignments, quality = 0.862, support = 2.44, residual support = 7.67: * O HA ASP- 25 - HN GLY 26 50.000% * 99.9078% (0.86 10.0 2.44 7.67) = 99.908% kept HA LYS+ 72 - HN GLY 26 50.000% * 0.0922% (0.80 1.0 0.02 0.02) = 0.092% Peak 1033 (1.57, 8.12, 108.56 ppm): 9 chemical-shift based assignments, quality = 0.641, support = 0.901, residual support = 0.233: QG2 THR 24 - HN GLY 26 11.111% * 55.3134% (0.56 1.31 0.38) = 55.313% kept HD3 LYS+ 60 - HN GLY 26 11.111% * 23.9670% (0.99 0.32 0.02) = 23.967% kept HB3 LEU 23 - HN GLY 26 11.111% * 13.6609% (0.25 0.73 0.10) = 13.661% kept HG LEU 17 - HN GLY 26 11.111% * 1.4659% (0.98 0.02 0.02) = 1.466% kept HB ILE 19 - HN GLY 26 11.111% * 1.4433% (0.96 0.02 0.02) = 1.443% kept HG3 LYS+ 60 - HN GLY 26 11.111% * 1.4147% (0.94 0.02 0.02) = 1.415% kept HB3 LEU 90 - HN GLY 26 11.111% * 1.1975% (0.80 0.02 0.02) = 1.198% kept HG13 ILE 29 - HN GLY 26 11.111% * 1.0273% (0.68 0.02 0.37) = 1.027% kept HB3 LYS+ 32 - HN GLY 26 11.111% * 0.5101% (0.34 0.02 0.02) = 0.510% Peak 1034 (4.08, 8.12, 108.56 ppm): 6 chemical-shift based assignments, quality = 0.723, support = 0.327, residual support = 0.151: HA LYS+ 44 - HN GLY 26 16.667% * 60.9824% (0.77 0.43 0.22) = 60.982% kept HB2 SER 49 - HN GLY 26 16.667% * 26.8891% (0.68 0.22 0.02) = 26.889% kept HA ALA 70 - HN GLY 26 16.667% * 7.0353% (0.45 0.09 0.02) = 7.035% kept HA LYS+ 63 - HN GLY 26 16.667% * 3.6298% (0.99 0.02 0.23) = 3.630% kept HB3 SER 77 - HN GLY 26 16.667% * 0.8263% (0.23 0.02 0.02) = 0.826% HA VAL 105 - HN GLY 26 16.667% * 0.6371% (0.17 0.02 0.02) = 0.637% Not enough total support, support cutoff is 0.50 Peak unassigned. 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 = 0.84, support = 4.28, residual support = 11.9: * T HN LYS+ 60 - HN THR 61 33.333% * 95.8322% (0.83 10.00 4.43 12.45) = 95.832% kept HN ASN 57 - HN THR 61 33.333% * 4.0554% (1.00 1.00 0.71 0.02) = 4.055% kept HN LYS+ 32 - HN THR 61 33.333% * 0.1125% (0.98 1.00 0.02 0.02) = 0.112% Peak 1037 (1.84, 7.43, 108.50 ppm): 9 chemical-shift based assignments, quality = 0.908, support = 1.58, residual support = 0.727: * HB2 PRO 59 - HN THR 61 11.111% * 30.2824% (0.92 1.99 0.97) = 30.282% kept HB2 LYS+ 66 - HN THR 61 11.111% * 28.4866% (0.98 1.77 0.67) = 28.487% kept HB3 PRO 59 - HN THR 61 11.111% * 24.7498% (1.00 1.51 0.97) = 24.750% kept HB3 LYS+ 72 - HN THR 61 11.111% * 8.7755% (0.69 0.78 0.02) = 8.776% kept HB2 PRO 104 - HN THR 61 11.111% * 5.3523% (0.65 0.50 0.02) = 5.352% kept HD3 LYS+ 117 - HN THR 61 11.111% * 1.8500% (0.49 0.23 0.02) = 1.850% kept HG3 PRO 112 - HN THR 61 11.111% * 0.3285% (1.00 0.02 0.02) = 0.329% HD3 LYS+ 72 - HN THR 61 11.111% * 0.1016% (0.31 0.02 0.02) = 0.102% HB2 GLU- 109 - HN THR 61 11.111% * 0.0733% (0.22 0.02 0.02) = 0.073% Peak 1038 (1.10, 7.43, 108.50 ppm): 8 chemical-shift based assignments, quality = 0.972, support = 2.63, residual support = 13.6: * QG2 THR 61 - HN THR 61 12.500% * 83.1344% (0.99 3.08 16.30) = 83.134% kept HG LEU 74 - HN THR 61 12.500% * 13.8203% (0.99 0.51 0.26) = 13.820% kept QG2 THR 96 - HN THR 61 12.500% * 2.1323% (0.57 0.14 2.44) = 2.132% kept QG2 THR 79 - HN THR 61 12.500% * 0.4552% (0.83 0.02 0.02) = 0.455% QG2 THR 95 - HN THR 61 12.500% * 0.1682% (0.31 0.02 0.02) = 0.168% HD3 LYS+ 111 - HN THR 61 12.500% * 0.1213% (0.22 0.02 0.02) = 0.121% QB ALA 33 - HN THR 61 12.500% * 0.0841% (0.15 0.02 0.02) = 0.084% HG3 LYS+ 32 - HN THR 61 12.500% * 0.0841% (0.15 0.02 0.02) = 0.084% Peak 1039 (2.02, 7.43, 108.50 ppm): 15 chemical-shift based assignments, quality = 0.466, support = 0.973, residual support = 5.79: HB VAL 62 - HN THR 61 6.667% * 43.4316% (0.31 1.76 13.30) = 43.432% kept HG2 PRO 86 - HN THR 61 6.667% * 21.0105% (0.65 0.41 0.02) = 21.011% kept HG3 PRO 86 - HN THR 61 6.667% * 17.0890% (0.31 0.69 0.02) = 17.089% kept HB3 GLU- 75 - HN THR 61 6.667% * 3.2927% (0.42 0.10 0.02) = 3.293% kept HB2 PRO 112 - HN THR 61 6.667% * 1.6015% (1.00 0.02 0.02) = 1.601% kept HB3 PRO 112 - HN THR 61 6.667% * 1.5873% (0.99 0.02 0.02) = 1.587% kept HG2 PRO 116 - HN THR 61 6.667% * 1.5698% (0.98 0.02 0.02) = 1.570% kept HB2 LYS+ 44 - HN THR 61 6.667% * 1.5698% (0.98 0.02 0.02) = 1.570% kept HB3 PRO 31 - HN THR 61 6.667% * 1.5698% (0.98 0.02 0.02) = 1.570% kept HG2 GLU- 64 - HN THR 61 6.667% * 1.4362% (0.90 0.02 0.02) = 1.436% kept HB2 GLU- 18 - HN THR 61 6.667% * 1.3377% (0.83 0.02 0.02) = 1.338% kept HB3 GLU- 45 - HN THR 61 6.667% * 1.3377% (0.83 0.02 0.02) = 1.338% kept HB VAL 105 - HN THR 61 6.667% * 1.2239% (0.76 0.02 0.02) = 1.224% kept HB3 GLU- 107 - HN THR 61 6.667% * 1.1001% (0.69 0.02 0.02) = 1.100% kept HB3 LYS+ 110 - HN THR 61 6.667% * 0.8426% (0.53 0.02 0.02) = 0.843% Peak 1040 (4.33, 7.43, 108.50 ppm): 6 chemical-shift based assignments, quality = 0.684, support = 4.01, residual support = 16.2: * O HB THR 61 - HN THR 61 16.667% * 99.6318% (0.69 10.0 4.03 16.30) = 99.632% kept HA PRO 112 - HN THR 61 16.667% * 0.1161% (0.80 1.0 0.02 0.02) = 0.116% HA VAL 94 - HN THR 61 16.667% * 0.1108% (0.76 1.0 0.02 0.02) = 0.111% HA ILE 29 - HN THR 61 16.667% * 0.0763% (0.53 1.0 0.02 0.02) = 0.076% HA PRO 104 - HN THR 61 16.667% * 0.0362% (0.25 1.0 0.02 0.02) = 0.036% HA1 GLY 26 - HN THR 61 16.667% * 0.0287% (0.20 1.0 0.02 0.02) = 0.029% Peak 1041 (4.68, 7.43, 108.50 ppm): 6 chemical-shift based assignments, quality = 0.976, support = 2.86, residual support = 16.2: * O HA THR 61 - HN THR 61 16.667% * 99.6655% (0.98 10.0 2.87 16.30) = 99.666% kept HA ASN 119 - HN THR 61 16.667% * 0.1017% (1.00 1.0 0.02 0.02) = 0.102% HA ASN 89 - HN THR 61 16.667% * 0.1015% (1.00 1.0 0.02 0.02) = 0.101% HA TYR 83 - HN THR 61 16.667% * 0.0777% (0.76 1.0 0.02 0.02) = 0.078% HA ASP- 36 - HN THR 61 16.667% * 0.0283% (0.28 1.0 0.02 0.02) = 0.028% HA LYS+ 120 - HN THR 61 16.667% * 0.0254% (0.25 1.0 0.02 0.02) = 0.025% Peak 1042 (2.29, 7.43, 108.50 ppm): 4 chemical-shift based assignments, quality = 0.817, support = 0.536, residual support = 0.0645: HB2 PRO 86 - HN THR 61 25.000% * 54.6105% (1.00 0.69 0.02) = 54.611% kept HA1 GLY 58 - HN THR 61 25.000% * 18.0935% (0.50 0.46 0.27) = 18.093% kept HG3 GLU- 64 - HN THR 61 25.000% * 17.1520% (0.80 0.27 0.02) = 17.152% kept HB3 PRO 86 - HN THR 61 25.000% * 10.1440% (0.45 0.29 0.02) = 10.144% kept Peak 1043 (1.45, 7.43, 108.50 ppm): 7 chemical-shift based assignments, quality = 0.469, support = 1.89, residual support = 10.1: * HB3 LYS+ 60 - HN THR 61 14.286% * 80.7423% (0.49 2.27 12.45) = 80.742% kept HG LEU 74 - HN THR 61 14.286% * 11.1794% (0.30 0.51 0.26) = 11.179% kept HB3 LEU 67 - HN THR 61 14.286% * 6.2212% (0.69 0.12 0.02) = 6.221% kept HG LEU 90 - HN THR 61 14.286% * 0.8288% (0.57 0.02 0.02) = 0.829% HG3 LYS+ 55 - HN THR 61 14.286% * 0.4070% (0.28 0.02 0.02) = 0.407% HD3 LYS+ 113 - HN THR 61 14.286% * 0.3650% (0.25 0.02 0.02) = 0.365% QB ALA 70 - HN THR 61 14.286% * 0.2564% (0.17 0.02 0.02) = 0.256% Peak 1044 (0.37, 7.43, 108.50 ppm): 3 chemical-shift based assignments, quality = 0.64, support = 1.69, residual support = 4.18: HG13 ILE 48 - HN THR 61 33.333% * 52.1473% (1.00 1.16 4.18) = 52.147% kept * QD1 ILE 48 - HN THR 61 33.333% * 30.0907% (0.25 2.68 4.18) = 30.091% kept HG12 ILE 48 - HN THR 61 33.333% * 17.7621% (0.25 1.58 4.18) = 17.762% 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 = 0.826, support = 3.02, residual support = 8.97: * O HA THR 79 - HN THR 79 20.000% * 70.7625% (1.00 10.0 2.54 3.32) = 70.763% kept O HA LYS+ 78 - HN THR 79 20.000% * 29.0913% (0.41 10.0 4.19 22.77) = 29.091% kept HA LEU 17 - HN THR 79 20.000% * 0.0706% (1.00 1.0 0.02 0.02) = 0.071% HA ALA 103 - HN THR 79 20.000% * 0.0514% (0.73 1.0 0.02 0.02) = 0.051% HA LYS+ 72 - HN THR 79 20.000% * 0.0241% (0.34 1.0 0.02 0.02) = 0.024% Peak 1052 (2.14, 9.03, 108.30 ppm): 7 chemical-shift based assignments, quality = 0.882, support = 4.08, residual support = 21.6: * HB3 LYS+ 78 - HN THR 79 14.286% * 95.0455% (0.90 4.29 22.77) = 95.046% kept HB2 ASP- 28 - HN THR 79 14.286% * 1.9003% (0.94 0.08 0.02) = 1.900% kept HB3 GLU- 75 - HN THR 79 14.286% * 1.8219% (0.73 0.10 0.02) = 1.822% kept HG3 GLN 102 - HN THR 79 14.286% * 0.4943% (1.00 0.02 0.02) = 0.494% HB VAL 47 - HN THR 79 14.286% * 0.4676% (0.94 0.02 0.02) = 0.468% HG2 PRO 104 - HN THR 79 14.286% * 0.1526% (0.31 0.02 0.02) = 0.153% HA1 GLY 58 - HN THR 79 14.286% * 0.1177% (0.24 0.02 0.02) = 0.118% Peak 1053 (2.36, 9.03, 108.30 ppm): 4 chemical-shift based assignments, quality = 0.261, support = 4.94, residual support = 22.0: * HB2 LYS+ 78 - HN THR 79 25.000% * 96.5521% (0.25 5.12 22.77) = 96.552% kept HB2 CYS 121 - HN THR 79 25.000% * 1.3964% (0.92 0.02 0.02) = 1.396% kept HG3 GLU- 50 - HN THR 79 25.000% * 1.0985% (0.73 0.02 0.02) = 1.098% kept HA1 GLY 58 - HN THR 79 25.000% * 0.9530% (0.63 0.02 0.02) = 0.953% Peak 1054 (1.62, 9.03, 108.30 ppm): 10 chemical-shift based assignments, quality = 0.959, support = 3.9, residual support = 22.1: * HG3 LYS+ 78 - HN THR 79 10.000% * 96.8876% (0.99 4.02 22.77) = 96.888% kept HG2 LYS+ 110 - HN THR 79 10.000% * 0.4361% (0.90 0.02 0.02) = 0.436% HG3 LYS+ 110 - HN THR 79 10.000% * 0.4218% (0.87 0.02 0.02) = 0.422% HB ILE 100 - HN THR 79 10.000% * 0.3894% (0.80 0.02 0.02) = 0.389% HG12 ILE 101 - HN THR 79 10.000% * 0.3894% (0.80 0.02 0.02) = 0.389% HB2 LEU 67 - HN THR 79 10.000% * 0.3894% (0.80 0.02 0.02) = 0.389% HB3 LEU 17 - HN THR 79 10.000% * 0.3531% (0.73 0.02 0.02) = 0.353% HG LEU 23 - HN THR 79 10.000% * 0.3531% (0.73 0.02 0.02) = 0.353% HD3 LYS+ 32 - HN THR 79 10.000% * 0.2949% (0.61 0.02 0.02) = 0.295% HB3 LYS+ 32 - HN THR 79 10.000% * 0.0852% (0.17 0.02 0.02) = 0.085% Peak 1055 (7.53, 9.03, 108.30 ppm): 1 chemical-shift based assignment, quality = 0.964, support = 0.02, residual support = 1.07: * T HN ASP- 82 - HN THR 79 100.000% *100.0000% (0.96 10.00 0.02 1.07) = 100.000% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1056 (1.10, 9.03, 108.30 ppm): 5 chemical-shift based assignments, quality = 0.937, support = 2.2, residual support = 2.98: * QG2 THR 79 - HN THR 79 20.000% * 89.5840% (0.94 2.45 3.32) = 89.584% kept HG LEU 74 - HN THR 79 20.000% * 5.3257% (0.99 0.14 0.02) = 5.326% kept QG2 THR 61 - HN THR 79 20.000% * 3.4556% (0.92 0.10 0.02) = 3.456% kept QG2 THR 95 - HN THR 79 20.000% * 1.3166% (0.45 0.08 0.02) = 1.317% kept QG2 THR 96 - HN THR 79 20.000% * 0.3181% (0.41 0.02 0.02) = 0.318% Peak 1057 (1.36, 9.03, 108.30 ppm): 8 chemical-shift based assignments, quality = 0.691, support = 3.88, residual support = 20.3: * HG2 LYS+ 78 - HN THR 79 12.500% * 88.9253% (0.73 4.33 22.77) = 88.925% kept QG2 THR 39 - HN THR 79 12.500% * 6.5549% (0.53 0.44 0.23) = 6.555% kept HG LEU 74 - HN THR 79 12.500% * 2.1051% (0.54 0.14 0.02) = 2.105% kept QB ALA 91 - HN THR 79 12.500% * 0.5653% (1.00 0.02 0.02) = 0.565% HB3 LYS+ 20 - HN THR 79 12.500% * 0.5603% (0.99 0.02 0.02) = 0.560% HG3 ARG+ 22 - HN THR 79 12.500% * 0.5348% (0.94 0.02 0.02) = 0.535% HG13 ILE 19 - HN THR 79 12.500% * 0.5219% (0.92 0.02 0.02) = 0.522% HB2 LEU 17 - HN THR 79 12.500% * 0.2324% (0.41 0.02 0.02) = 0.232% 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 = 0.426, support = 2.69, residual support = 9.78: * O HA1 GLY 58 - HN GLY 58 6.667% * 77.5014% (0.34 10.0 2.86 11.91) = 77.501% kept HB2 GLU- 50 - HN GLY 58 6.667% * 20.7060% (0.79 1.0 2.28 2.63) = 20.706% kept HG3 GLU- 54 - HN GLY 58 6.667% * 0.2189% (0.95 1.0 0.02 0.02) = 0.219% HG3 MET 126 - HN GLY 58 6.667% * 0.2146% (0.94 1.0 0.02 0.02) = 0.215% HG3 GLU- 109 - HN GLY 58 6.667% * 0.2034% (0.89 1.0 0.02 0.02) = 0.203% HB2 LYS+ 113 - HN GLY 58 6.667% * 0.1968% (0.86 1.0 0.02 0.02) = 0.197% HG3 GLU- 107 - HN GLY 58 6.667% * 0.1734% (0.76 1.0 0.02 0.02) = 0.173% HG3 GLU- 18 - HN GLY 58 6.667% * 0.1647% (0.72 1.0 0.02 1.44) = 0.165% HG2 MET 126 - HN GLY 58 6.667% * 0.1558% (0.68 1.0 0.02 0.02) = 0.156% HG3 MET 118 - HN GLY 58 6.667% * 0.1284% (0.56 1.0 0.02 0.02) = 0.128% HB3 PRO 52 - HN GLY 58 6.667% * 0.1017% (0.44 1.0 0.02 0.02) = 0.102% HB VAL 99 - HN GLY 58 6.667% * 0.1017% (0.44 1.0 0.02 0.02) = 0.102% HG3 GLU- 75 - HN GLY 58 6.667% * 0.0566% (0.25 1.0 0.02 0.02) = 0.057% HB3 PRO 104 - HN GLY 58 6.667% * 0.0449% (0.20 1.0 0.02 2.69) = 0.045% HB3 GLU- 75 - HN GLY 58 6.667% * 0.0318% (0.14 1.0 0.02 0.02) = 0.032% Peak 1062 (2.78, 8.24, 106.55 ppm): 7 chemical-shift based assignments, quality = 0.786, support = 2.41, residual support = 11.9: * O HA1 GLY 58 - HN GLY 58 14.286% * 66.0418% (0.89 10.0 2.86 11.91) = 66.042% kept O HA2 GLY 58 - HN GLY 58 14.286% * 24.6640% (0.48 10.0 1.38 11.91) = 24.664% kept HB3 ASN 57 - HN GLY 58 14.286% * 8.1722% (0.99 1.0 2.22 13.44) = 8.172% kept HE3 LYS+ 32 - HN GLY 58 14.286% * 0.9732% (0.37 1.0 0.71 0.88) = 0.973% HB2 ASN 119 - HN GLY 58 14.286% * 0.0735% (0.99 1.0 0.02 0.02) = 0.074% HB3 ASN 89 - HN GLY 58 14.286% * 0.0589% (0.79 1.0 0.02 0.02) = 0.059% HE3 LYS+ 111 - HN GLY 58 14.286% * 0.0164% (0.22 1.0 0.02 0.02) = 0.016% Peak 1063 (4.38, 8.24, 106.55 ppm): 10 chemical-shift based assignments, quality = 0.981, support = 1.83, residual support = 12.9: * O HA ASN 57 - HN GLY 58 10.000% * 95.6740% (0.99 10.0 1.90 13.44) = 95.674% kept HA TRP 51 - HN GLY 58 10.000% * 2.3970% (0.94 1.0 0.50 3.68) = 2.397% kept HA LYS+ 60 - HN GLY 58 10.000% * 1.4856% (0.95 1.0 0.31 0.15) = 1.486% kept HA ALA 37 - HN GLY 58 10.000% * 0.1000% (0.98 1.0 0.02 0.02) = 0.100% HA THR 38 - HN GLY 58 10.000% * 0.0905% (0.89 1.0 0.02 0.02) = 0.091% HA SER 88 - HN GLY 58 10.000% * 0.0653% (0.64 1.0 0.02 0.02) = 0.065% HA2 GLY 26 - HN GLY 58 10.000% * 0.0612% (0.60 1.0 0.02 0.02) = 0.061% HA THR 95 - HN GLY 58 10.000% * 0.0491% (0.48 1.0 0.02 0.02) = 0.049% HA LYS+ 117 - HN GLY 58 10.000% * 0.0491% (0.48 1.0 0.02 0.02) = 0.049% HA1 GLY 26 - HN GLY 58 10.000% * 0.0281% (0.27 1.0 0.02 0.02) = 0.028% Peak 1064 (8.81, 8.24, 106.55 ppm): 4 chemical-shift based assignments, quality = 0.895, support = 2.58, residual support = 12.9: * T HN ASN 57 - HN GLY 58 25.000% * 96.1271% (0.91 10.00 2.66 13.44) = 96.127% kept HN LYS+ 60 - HN GLY 58 25.000% * 2.8772% (0.60 1.00 0.91 0.15) = 2.877% kept HN LYS+ 32 - HN GLY 58 25.000% * 0.9698% (0.83 1.00 0.22 0.88) = 0.970% HN SER 69 - HN GLY 58 25.000% * 0.0260% (0.25 1.00 0.02 0.02) = 0.026% Peak 1065 (1.73, 8.24, 106.55 ppm): 4 chemical-shift based assignments, quality = 0.883, support = 1.09, residual support = 2.09: HB3 GLU- 50 - HN GLY 58 25.000% * 51.3485% (0.97 1.09 2.63) = 51.349% kept HB ILE 48 - HN GLY 58 25.000% * 45.9542% (0.83 1.15 1.60) = 45.954% kept HB VAL 94 - HN GLY 58 25.000% * 2.5491% (0.22 0.24 0.21) = 2.549% kept HB2 ARG+ 84 - HN GLY 58 25.000% * 0.1482% (0.15 0.02 0.02) = 0.148% Peak 1066 (9.49, 8.24, 106.55 ppm): 3 chemical-shift based assignments, quality = 0.756, support = 2.3, residual support = 3.63: * HE1 TRP 51 - HN GLY 58 33.333% * 98.6187% (0.76 2.33 3.68) = 98.619% kept HN ALA 70 - HN GLY 58 33.333% * 1.1051% (0.99 0.02 0.02) = 1.105% kept HN HIS+ 98 - HN GLY 58 33.333% * 0.2762% (0.25 0.02 0.02) = 0.276% Peak 1067 (2.90, 8.24, 106.55 ppm): 4 chemical-shift based assignments, quality = 0.705, support = 2.76, residual support = 11.4: * O HA1 GLY 58 - HN GLY 58 25.000% * 95.5453% (0.69 10.0 2.86 11.91) = 95.545% kept HB2 HIS+ 98 - HN GLY 58 25.000% * 4.4123% (0.99 1.0 0.65 0.02) = 4.412% kept HE3 LYS+ 60 - HN GLY 58 25.000% * 0.0239% (0.17 1.0 0.02 0.15) = 0.024% HG3 MET 97 - HN GLY 58 25.000% * 0.0185% (0.13 1.0 0.02 0.02) = 0.018% 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): 8 chemical-shift based assignments, quality = 0.491, support = 2.76, residual support = 10.1: * O HA1 GLY 71 - HN GLY 71 12.500% * 78.3586% (0.41 10.0 3.13 12.68) = 78.359% kept HA VAL 62 - HN GLY 71 12.500% * 12.7099% (0.94 1.0 1.41 0.86) = 12.710% kept HB2 SER 69 - HN GLY 71 12.500% * 8.4529% (0.60 1.0 1.46 0.81) = 8.453% kept HA VAL 80 - HN GLY 71 12.500% * 0.1653% (0.86 1.0 0.02 0.02) = 0.165% HB THR 79 - HN GLY 71 12.500% * 0.1233% (0.64 1.0 0.02 0.02) = 0.123% HA THR 39 - HN GLY 71 12.500% * 0.0784% (0.41 1.0 0.02 0.02) = 0.078% HD3 PRO 31 - HN GLY 71 12.500% * 0.0715% (0.37 1.0 0.02 0.02) = 0.072% HA ILE 48 - HN GLY 71 12.500% * 0.0400% (0.21 1.0 0.02 0.02) = 0.040% 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): 8 chemical-shift based assignments, quality = 0.859, support = 2.93, residual support = 15.9: * O HA ALA 70 - HN GLY 71 12.500% * 99.5383% (0.86 10.0 2.94 15.95) = 99.538% kept HA VAL 105 - HN GLY 71 12.500% * 0.1145% (0.99 1.0 0.02 0.02) = 0.114% HA THR 46 - HN GLY 71 12.500% * 0.0995% (0.86 1.0 0.02 0.02) = 0.100% HA LYS+ 44 - HN GLY 71 12.500% * 0.0753% (0.65 1.0 0.02 0.24) = 0.075% HB THR 106 - HN GLY 71 12.500% * 0.0742% (0.64 1.0 0.02 0.02) = 0.074% HA ARG+ 53 - HN GLY 71 12.500% * 0.0604% (0.52 1.0 0.02 0.02) = 0.060% HA LYS+ 63 - HN GLY 71 12.500% * 0.0201% (0.17 1.0 0.02 0.02) = 0.020% HD2 PRO 59 - HN GLY 71 12.500% * 0.0177% (0.15 1.0 0.02 0.02) = 0.018% Peak 1074 (0.66, 8.37, 103.40 ppm): 4 chemical-shift based assignments, quality = 0.444, support = 1.56, residual support = 1.32: QG1 VAL 62 - HN GLY 71 25.000% * 38.7753% (0.76 1.04 0.86) = 38.775% kept HG12 ILE 19 - HN GLY 71 25.000% * 28.1921% (0.28 2.07 1.92) = 28.192% kept QD1 ILE 19 - HN GLY 71 25.000% * 21.0536% (0.20 2.17 1.92) = 21.054% kept * QG2 VAL 94 - HN GLY 71 25.000% * 11.9790% (0.25 0.98 0.34) = 11.979% kept Peak 1075 (1.47, 8.37, 103.40 ppm): 3 chemical-shift based assignments, quality = 0.637, support = 3.64, residual support = 15.8: * QB ALA 70 - HN GLY 71 33.333% * 98.9456% (0.64 3.68 15.95) = 98.946% kept HB3 LEU 67 - HN GLY 71 33.333% * 0.8303% (0.99 0.02 0.02) = 0.830% HG LEU 74 - HN GLY 71 33.333% * 0.2241% (0.27 0.02 0.02) = 0.224% Peak 1076 (7.96, 8.37, 103.40 ppm): 2 chemical-shift based assignments, quality = 0.928, support = 3.76, residual support = 12.2: * HN LYS+ 72 - HN GLY 71 50.000% * 95.4684% (0.96 3.91 12.77) = 95.468% kept HN LEU 43 - HN GLY 71 50.000% * 4.5316% (0.25 0.72 0.69) = 4.532% kept Peak 1077 (9.50, 8.37, 103.40 ppm): 2 chemical-shift based assignments, quality = 0.936, support = 3.4, residual support = 15.9: * HN ALA 70 - HN GLY 71 50.000% * 99.4182% (0.94 3.42 15.95) = 99.418% kept HE1 TRP 51 - HN GLY 71 50.000% * 0.5818% (0.94 0.02 0.02) = 0.582% Peak 1078 (4.90, 8.37, 103.40 ppm): 5 chemical-shift based assignments, quality = 0.443, support = 1.04, residual support = 0.819: HA SER 69 - HN GLY 71 20.000% * 60.3436% (0.45 1.40 0.81) = 60.344% kept HA GLN 102 - HN GLY 71 20.000% * 20.7795% (0.60 0.36 0.02) = 20.779% kept HA ILE 19 - HN GLY 71 20.000% * 16.8516% (0.25 0.70 1.92) = 16.852% kept HA ALA 33 - HN GLY 71 20.000% * 1.1646% (0.60 0.02 0.02) = 1.165% kept HA HIS+ 98 - HN GLY 71 20.000% * 0.8608% (0.45 0.02 0.02) = 0.861% 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): 4 chemical-shift based assignments, quality = 0.938, support = 1.51, residual support = 0.924: HA PRO 116 - HN THR 24 25.000% * 48.6575% (0.97 1.98 1.13) = 48.657% kept HA LYS+ 113 - HN THR 24 25.000% * 27.0677% (0.95 1.13 0.70) = 27.068% kept HA ASP- 115 - HN THR 24 25.000% * 22.9358% (0.90 1.00 0.81) = 22.936% kept HA GLU- 107 - HN THR 24 25.000% * 1.3390% (0.15 0.35 0.02) = 1.339% kept Peak 1092 (1.54, 9.36, 115.05 ppm): 10 chemical-shift based assignments, quality = 0.88, support = 2.62, residual support = 5.83: * QG2 THR 24 - HN THR 24 10.000% * 54.1909% (0.82 3.10 8.27) = 54.191% kept HB3 LEU 23 - HN THR 24 10.000% * 44.4921% (0.98 2.12 3.02) = 44.492% kept QG2 VAL 80 - HN THR 24 10.000% * 0.3499% (0.82 0.02 0.02) = 0.350% HG13 ILE 29 - HN THR 24 10.000% * 0.3042% (0.71 0.02 0.02) = 0.304% HB3 LEU 90 - HN THR 24 10.000% * 0.2541% (0.59 0.02 0.02) = 0.254% HG LEU 43 - HN THR 24 10.000% * 0.1165% (0.27 0.02 0.02) = 0.116% HD3 LYS+ 60 - HN THR 24 10.000% * 0.0933% (0.22 0.02 0.02) = 0.093% HG LEU 17 - HN THR 24 10.000% * 0.0734% (0.17 0.02 0.02) = 0.073% HB ILE 19 - HN THR 24 10.000% * 0.0646% (0.15 0.02 0.02) = 0.065% HG LEU 74 - HN THR 24 10.000% * 0.0611% (0.14 0.02 0.02) = 0.061% Peak 1093 (1.72, 9.36, 115.05 ppm): 2 chemical-shift based assignments, quality = 0.743, support = 1.04, residual support = 0.547: HB ILE 48 - HN THR 24 50.000% * 62.2278% (0.90 0.98 0.63) = 62.228% kept HB3 GLU- 50 - HN THR 24 50.000% * 37.7722% (0.48 1.13 0.41) = 37.772% kept Peak 1094 (4.09, 9.36, 115.05 ppm): 7 chemical-shift based assignments, quality = 0.693, support = 0.516, residual support = 0.194: HA LYS+ 44 - HN THR 24 14.286% * 27.9264% (0.72 0.60 0.29) = 27.926% kept HA LYS+ 63 - HN THR 24 14.286% * 26.9882% (0.78 0.53 0.14) = 26.988% kept HA ALA 70 - HN THR 24 14.286% * 26.1212% (0.78 0.52 0.27) = 26.121% kept HA VAL 105 - HN THR 24 14.286% * 11.3333% (0.44 0.40 0.02) = 11.333% kept HB2 SER 49 - HN THR 24 14.286% * 7.1343% (0.33 0.33 0.02) = 7.134% kept HA THR 46 - HN THR 24 14.286% * 0.2806% (0.22 0.02 0.02) = 0.281% HB3 SER 77 - HN THR 24 14.286% * 0.2160% (0.17 0.02 0.02) = 0.216% Peak 1095 (1.91, 9.36, 115.05 ppm): 13 chemical-shift based assignments, quality = 0.843, support = 2.54, residual support = 2.16: * HB2 LEU 23 - HN THR 24 7.692% * 66.4062% (0.93 3.47 3.02) = 66.406% kept HB2 PRO 116 - HN THR 24 7.692% * 12.1311% (0.44 1.34 1.13) = 12.131% kept HD3 LYS+ 63 - HN THR 24 7.692% * 9.7990% (0.97 0.49 0.14) = 9.799% kept HB3 GLU- 56 - HN THR 24 7.692% * 5.0313% (0.95 0.26 0.02) = 5.031% kept HB ILE 29 - HN THR 24 7.692% * 3.8761% (0.71 0.26 0.02) = 3.876% kept HG2 PRO 112 - HN THR 24 7.692% * 1.0068% (0.37 0.13 0.02) = 1.007% kept HB3 GLN 102 - HN THR 24 7.692% * 0.3631% (0.88 0.02 0.02) = 0.363% HB3 GLU- 54 - HN THR 24 7.692% * 0.3512% (0.85 0.02 0.02) = 0.351% HB3 PRO 35 - HN THR 24 7.692% * 0.3512% (0.85 0.02 0.02) = 0.351% HB3 MET 118 - HN THR 24 7.692% * 0.2940% (0.71 0.02 0.14) = 0.294% HB3 CYS 123 - HN THR 24 7.692% * 0.1971% (0.48 0.02 0.02) = 0.197% HG2 GLU- 18 - HN THR 24 7.692% * 0.1126% (0.27 0.02 0.02) = 0.113% HB2 GLU- 75 - HN THR 24 7.692% * 0.0801% (0.19 0.02 0.02) = 0.080% Peak 1096 (4.42, 9.36, 115.05 ppm): 7 chemical-shift based assignments, quality = 0.767, support = 2.47, residual support = 8.26: * O HB THR 24 - HN THR 24 14.286% * 53.3873% (0.82 10.0 2.60 8.27) = 53.387% kept O HA THR 24 - HN THR 24 14.286% * 46.4127% (0.71 10.0 2.33 8.27) = 46.413% kept HA CYS 121 - HN THR 24 14.286% * 0.0617% (0.95 1.0 0.02 0.02) = 0.062% HA LYS+ 66 - HN THR 24 14.286% * 0.0605% (0.93 1.0 0.02 0.02) = 0.060% HA LYS+ 111 - HN THR 24 14.286% * 0.0554% (0.85 1.0 0.02 0.02) = 0.055% HA VAL 99 - HN THR 24 14.286% * 0.0112% (0.17 1.0 0.02 0.02) = 0.011% HA THR 95 - HN THR 24 14.286% * 0.0112% (0.17 1.0 0.02 0.02) = 0.011% Peak 1098 (4.27, 8.43, 123.78 ppm): 28 chemical-shift based assignments, quality = 0.962, support = 1.28, residual support = 4.09: * O HA PRO 52 - HN ARG+ 53 3.571% * 97.3472% (0.99 10.0 1.31 4.20) = 97.347% kept HD3 PRO 59 - HN CYS 123 3.571% * 0.1494% (1.00 1.0 0.02 0.02) = 0.149% HA SER 85 - HN CYS 123 3.571% * 0.1494% (1.00 1.0 0.02 0.02) = 0.149% HA PRO 52 - HN CYS 123 3.571% * 0.1494% (1.00 1.0 0.02 0.02) = 0.149% HA ALA 91 - HN CYS 123 3.571% * 0.1490% (0.99 1.0 0.02 0.02) = 0.149% HD3 PRO 59 - HN ARG+ 53 3.571% * 0.1483% (0.99 1.0 0.02 0.02) = 0.148% HA SER 85 - HN ARG+ 53 3.571% * 0.1483% (0.99 1.0 0.02 0.02) = 0.148% HA VAL 65 - HN CYS 123 3.571% * 0.1480% (0.99 1.0 0.02 0.02) = 0.148% HA ALA 91 - HN ARG+ 53 3.571% * 0.1480% (0.99 1.0 0.02 0.02) = 0.148% HA VAL 65 - HN ARG+ 53 3.571% * 0.1470% (0.98 1.0 0.02 0.02) = 0.147% HA ARG+ 84 - HN CYS 123 3.571% * 0.1464% (0.98 1.0 0.02 0.02) = 0.146% HA ARG+ 84 - HN ARG+ 53 3.571% * 0.1454% (0.97 1.0 0.02 0.02) = 0.145% HA GLU- 75 - HN CYS 123 3.571% * 0.1141% (0.76 1.0 0.02 0.02) = 0.114% HA GLU- 75 - HN ARG+ 53 3.571% * 0.1133% (0.76 1.0 0.02 0.02) = 0.113% HA THR 106 - HN CYS 123 3.571% * 0.1026% (0.68 1.0 0.02 0.02) = 0.103% HA THR 106 - HN ARG+ 53 3.571% * 0.1019% (0.68 1.0 0.02 0.02) = 0.102% HA GLU- 56 - HN CYS 123 3.571% * 0.0786% (0.52 1.0 0.02 0.02) = 0.079% HA LEU 90 - HN CYS 123 3.571% * 0.0786% (0.52 1.0 0.02 0.02) = 0.079% HA GLU- 56 - HN ARG+ 53 3.571% * 0.0780% (0.52 1.0 0.02 0.02) = 0.078% HA LEU 90 - HN ARG+ 53 3.571% * 0.0780% (0.52 1.0 0.02 0.02) = 0.078% HA2 GLY 114 - HN CYS 123 3.571% * 0.0614% (0.41 1.0 0.02 0.02) = 0.061% HA2 GLY 114 - HN ARG+ 53 3.571% * 0.0610% (0.41 1.0 0.02 0.02) = 0.061% HA LYS+ 108 - HN CYS 123 3.571% * 0.0296% (0.20 1.0 0.02 0.02) = 0.030% HA LYS+ 108 - HN ARG+ 53 3.571% * 0.0293% (0.20 1.0 0.02 0.02) = 0.029% HA PRO 59 - HN CYS 123 3.571% * 0.0262% (0.17 1.0 0.02 0.02) = 0.026% HA PRO 59 - HN ARG+ 53 3.571% * 0.0260% (0.17 1.0 0.02 0.02) = 0.026% HA PRO 104 - HN CYS 123 3.571% * 0.0230% (0.15 1.0 0.02 0.02) = 0.023% HA PRO 104 - HN ARG+ 53 3.571% * 0.0229% (0.15 1.0 0.02 0.02) = 0.023% Peak 1099 (1.90, 8.43, 123.78 ppm): 22 chemical-shift based assignments, quality = 0.94, support = 1.05, residual support = 3.77: * O HB3 CYS 123 - HN CYS 123 4.545% * 83.6828% (1.00 10.0 1.00 2.02) = 83.683% kept HB3 GLU- 54 - HN ARG+ 53 4.545% * 11.3656% (0.79 1.0 1.71 18.29) = 11.366% kept HD3 LYS+ 63 - HN ARG+ 53 4.545% * 3.0831% (0.56 1.0 0.66 0.02) = 3.083% kept HB3 CYS 123 - HN ARG+ 53 4.545% * 0.1662% (0.99 1.0 0.02 0.02) = 0.166% HB3 MET 118 - HN CYS 123 4.545% * 0.1545% (0.92 1.0 0.02 0.02) = 0.154% HG2 GLU- 18 - HN CYS 123 4.545% * 0.1545% (0.92 1.0 0.02 0.02) = 0.154% HB3 MET 118 - HN ARG+ 53 4.545% * 0.1534% (0.91 1.0 0.02 0.02) = 0.153% HG2 GLU- 18 - HN ARG+ 53 4.545% * 0.1534% (0.91 1.0 0.02 0.02) = 0.153% HB3 GLU- 54 - HN CYS 123 4.545% * 0.1340% (0.80 1.0 0.02 0.02) = 0.134% HB3 GLN 102 - HN CYS 123 4.545% * 0.1279% (0.76 1.0 0.02 0.02) = 0.128% HB3 GLN 102 - HN ARG+ 53 4.545% * 0.1270% (0.76 1.0 0.02 0.52) = 0.127% HD3 LYS+ 63 - HN CYS 123 4.545% * 0.0948% (0.56 1.0 0.02 0.02) = 0.095% HG3 LYS+ 120 - HN CYS 123 4.545% * 0.0815% (0.48 1.0 0.02 0.02) = 0.081% HG3 LYS+ 120 - HN ARG+ 53 4.545% * 0.0809% (0.48 1.0 0.02 0.02) = 0.081% HB3 ARG+ 84 - HN CYS 123 4.545% * 0.0750% (0.45 1.0 0.02 0.02) = 0.075% HB3 ARG+ 84 - HN ARG+ 53 4.545% * 0.0745% (0.44 1.0 0.02 0.02) = 0.075% HB3 GLU- 56 - HN CYS 123 4.545% * 0.0571% (0.34 1.0 0.02 0.02) = 0.057% HB3 GLU- 56 - HN ARG+ 53 4.545% * 0.0567% (0.34 1.0 0.02 0.02) = 0.057% HB2 LEU 23 - HN CYS 123 4.545% * 0.0517% (0.31 1.0 0.02 0.02) = 0.052% HB2 LEU 23 - HN ARG+ 53 4.545% * 0.0513% (0.30 1.0 0.02 0.02) = 0.051% HB3 PRO 35 - HN CYS 123 4.545% * 0.0373% (0.22 1.0 0.02 0.02) = 0.037% HB3 PRO 35 - HN ARG+ 53 4.545% * 0.0370% (0.22 1.0 0.02 0.02) = 0.037% Peak 1100 (4.12, 8.43, 123.78 ppm): 18 chemical-shift based assignments, quality = 0.943, support = 2.59, residual support = 9.93: * O HA ARG+ 53 - HN ARG+ 53 5.556% * 98.9315% (0.95 10.0 2.61 10.04) = 98.931% kept HA ARG+ 53 - HN CYS 123 5.556% * 0.0996% (0.96 1.0 0.02 0.02) = 0.100% HB THR 106 - HN CYS 123 5.556% * 0.0926% (0.89 1.0 0.02 0.02) = 0.093% HB THR 106 - HN ARG+ 53 5.556% * 0.0919% (0.89 1.0 0.02 0.02) = 0.092% HD2 PRO 59 - HN CYS 123 5.556% * 0.0896% (0.86 1.0 0.02 0.02) = 0.090% HD2 PRO 59 - HN ARG+ 53 5.556% * 0.0889% (0.86 1.0 0.02 0.02) = 0.089% HA2 GLY 71 - HN CYS 123 5.556% * 0.0709% (0.68 1.0 0.02 0.02) = 0.071% HA THR 46 - HN CYS 123 5.556% * 0.0709% (0.68 1.0 0.02 0.02) = 0.071% HA2 GLY 71 - HN ARG+ 53 5.556% * 0.0704% (0.68 1.0 0.02 0.02) = 0.070% HA THR 46 - HN ARG+ 53 5.556% * 0.0704% (0.68 1.0 0.02 0.02) = 0.070% HA LYS+ 44 - HN CYS 123 5.556% * 0.0575% (0.55 1.0 0.02 0.02) = 0.058% HA LYS+ 44 - HN ARG+ 53 5.556% * 0.0571% (0.55 1.0 0.02 0.02) = 0.057% HB2 SER 88 - HN CYS 123 5.556% * 0.0463% (0.45 1.0 0.02 0.02) = 0.046% HB2 SER 88 - HN ARG+ 53 5.556% * 0.0460% (0.44 1.0 0.02 0.02) = 0.046% HA VAL 105 - HN CYS 123 5.556% * 0.0424% (0.41 1.0 0.02 0.02) = 0.042% HA VAL 105 - HN ARG+ 53 5.556% * 0.0421% (0.41 1.0 0.02 0.02) = 0.042% HA ALA 70 - HN CYS 123 5.556% * 0.0159% (0.15 1.0 0.02 0.02) = 0.016% HA ALA 70 - HN ARG+ 53 5.556% * 0.0158% (0.15 1.0 0.02 0.02) = 0.016% Peak 1101 (4.50, 8.43, 123.78 ppm): 12 chemical-shift based assignments, quality = 0.756, support = 1.22, residual support = 1.95: * O HA CYS 123 - HN CYS 123 8.333% * 95.5089% (0.76 10.0 1.27 2.02) = 95.509% kept HA LYS+ 55 - HN ARG+ 53 8.333% * 3.0727% (0.98 1.0 0.32 0.68) = 3.073% kept HA LYS+ 55 - HN CYS 123 8.333% * 0.1953% (0.99 1.0 0.02 0.02) = 0.195% HB THR 46 - HN CYS 123 8.333% * 0.1953% (0.99 1.0 0.02 0.02) = 0.195% HB THR 46 - HN ARG+ 53 8.333% * 0.1939% (0.98 1.0 0.02 0.02) = 0.194% HA SER 77 - HN CYS 123 8.333% * 0.1709% (0.86 1.0 0.02 0.02) = 0.171% HA SER 77 - HN ARG+ 53 8.333% * 0.1697% (0.86 1.0 0.02 0.02) = 0.170% HA CYS 123 - HN ARG+ 53 8.333% * 0.1495% (0.76 1.0 0.02 0.02) = 0.150% HA ASN 76 - HN CYS 123 8.333% * 0.1116% (0.56 1.0 0.02 0.02) = 0.112% HA ASN 76 - HN ARG+ 53 8.333% * 0.1108% (0.56 1.0 0.02 0.02) = 0.111% HA LYS+ 78 - HN CYS 123 8.333% * 0.0608% (0.31 1.0 0.02 0.02) = 0.061% HA LYS+ 78 - HN ARG+ 53 8.333% * 0.0604% (0.30 1.0 0.02 0.02) = 0.060% Peak 1102 (3.47, 8.82, 121.40 ppm): 6 chemical-shift based assignments, quality = 0.727, support = 2.94, residual support = 5.82: HD3 PRO 31 - HN LYS+ 32 16.667% * 62.0069% (0.94 2.98 7.89) = 62.007% kept HA1 GLY 30 - HN LYS+ 32 16.667% * 30.7366% (0.41 3.40 2.62) = 30.737% kept HA ILE 48 - HN LYS+ 32 16.667% * 5.4293% (0.29 0.85 2.15) = 5.429% kept HB3 SER 69 - HN LYS+ 32 16.667% * 1.2064% (0.17 0.31 0.02) = 1.206% kept HA1 GLY 71 - HN LYS+ 32 16.667% * 0.4065% (0.92 0.02 0.02) = 0.406% HA VAL 80 - HN LYS+ 32 16.667% * 0.2143% (0.48 0.02 0.02) = 0.214% Peak 1103 (1.48, 9.49, 134.56 ppm): 6 chemical-shift based assignments, quality = 0.996, support = 2.0, residual support = 11.5: * O QB ALA 70 - HN ALA 70 16.667% * 99.8155% (1.00 10.0 2.00 11.51) = 99.816% kept HB3 LEU 67 - HN ALA 70 16.667% * 0.0566% (0.57 1.0 0.02 0.02) = 0.057% HD3 LYS+ 108 - HN ALA 70 16.667% * 0.0448% (0.45 1.0 0.02 0.02) = 0.045% HB2 LYS+ 72 - HN ALA 70 16.667% * 0.0341% (0.34 1.0 0.02 1.45) = 0.034% HG3 LYS+ 72 - HN ALA 70 16.667% * 0.0249% (0.25 1.0 0.02 1.45) = 0.025% HG LEU 74 - HN ALA 70 16.667% * 0.0239% (0.24 1.0 0.02 0.02) = 0.024% 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): 9 chemical-shift based assignments, quality = 0.97, support = 4.13, residual support = 59.3: * O HA LEU 74 - HN LEU 74 11.111% * 91.7316% (1.00 10.0 4.42 64.26) = 91.732% kept HA LYS+ 44 - HN LEU 74 11.111% * 3.2619% (0.90 1.0 0.79 4.29) = 3.262% kept HA ILE 48 - HN LEU 74 11.111% * 1.9440% (0.22 1.0 1.92 5.19) = 1.944% kept HA VAL 122 - HN LEU 74 11.111% * 1.5634% (0.92 1.0 0.37 5.46) = 1.563% kept HA1 GLY 114 - HN LEU 74 11.111% * 1.2116% (0.41 1.0 0.64 0.02) = 1.212% kept HB THR 96 - HN LEU 74 11.111% * 0.0909% (0.99 1.0 0.02 0.91) = 0.091% HB3 CYS 121 - HN LEU 74 11.111% * 0.0899% (0.98 1.0 0.02 5.25) = 0.090% HB3 SER 77 - HN LEU 74 11.111% * 0.0619% (0.67 1.0 0.02 0.02) = 0.062% HB2 SER 77 - HN LEU 74 11.111% * 0.0447% (0.49 1.0 0.02 0.02) = 0.045% Peak 1107 (1.17, 8.45, 129.16 ppm): 6 chemical-shift based assignments, quality = 0.981, support = 4.96, residual support = 61.3: O HB2 LEU 74 - HN LEU 74 16.667% * 73.8547% (1.00 10.0 4.98 64.26) = 73.855% kept * HG LEU 74 - HN LEU 74 16.667% * 21.0818% (0.98 1.0 5.85 64.26) = 21.082% kept HB ILE 68 - HN LEU 74 16.667% * 3.1921% (0.61 1.0 1.43 9.35) = 3.192% kept QG2 THR 106 - HN LEU 74 16.667% * 1.7440% (0.98 1.0 0.48 0.75) = 1.744% kept HB3 LYS+ 66 - HN LEU 74 16.667% * 0.0737% (1.00 1.0 0.02 1.23) = 0.074% HG3 PRO 59 - HN LEU 74 16.667% * 0.0536% (0.73 1.0 0.02 0.02) = 0.054% Peak 1108 (1.26, 8.45, 129.16 ppm): 4 chemical-shift based assignments, quality = 0.556, support = 4.63, residual support = 64.2: O HB3 LEU 74 - HN LEU 74 25.000% * 63.3688% (0.41 10.0 3.95 64.26) = 63.369% kept * HG LEU 74 - HN LEU 74 25.000% * 36.4616% (0.81 1.0 5.85 64.26) = 36.462% kept HG2 LYS+ 32 - HN LEU 74 25.000% * 0.1458% (0.95 1.0 0.02 0.37) = 0.146% HB2 LYS+ 55 - HN LEU 74 25.000% * 0.0238% (0.15 1.0 0.02 0.02) = 0.024% Peak 1109 (-0.06, 8.45, 129.16 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.76, residual support = 64.3: * QD1 LEU 74 - HN LEU 74 100.000% *100.0000% (1.00 4.76 64.26) = 100.000% kept Peak 1110 (2.52, 8.26, 122.13 ppm): 4 chemical-shift based assignments, quality = 0.592, support = 2.13, residual support = 14.0: * O HB2 ASP- 115 - HN ASP- 115 25.000% * 99.6573% (0.59 10.0 2.14 14.04) = 99.657% kept HB2 ASP- 36 - HN ASP- 115 25.000% * 0.1629% (0.97 1.0 0.02 0.02) = 0.163% HA1 GLY 58 - HN ASP- 115 25.000% * 0.1511% (0.90 1.0 0.02 0.02) = 0.151% HB3 LYS+ 81 - HN ASP- 115 25.000% * 0.0288% (0.17 1.0 0.02 0.02) = 0.029% 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 = 0.444, support = 1.77, residual support = 55.5: * O HZ2 TRP 51 - HE1 TRP 51 14.286% * 98.9674% (0.45 10.0 1.79 56.12) = 98.967% kept HN ARG+ 84 - HE1 TRP 51 14.286% * 0.2378% (0.97 1.0 0.02 0.02) = 0.238% HN VAL 47 - HE1 TRP 51 14.286% * 0.2331% (0.95 1.0 0.02 3.01) = 0.233% QD PHE 34 - HE1 TRP 51 14.286% * 0.2210% (0.90 1.0 0.02 0.02) = 0.221% HN ILE 48 - HE1 TRP 51 14.286% * 0.1199% (0.49 1.0 0.02 2.35) = 0.120% HZ PHE 34 - HE1 TRP 51 14.286% * 0.1105% (0.45 1.0 0.02 0.02) = 0.110% QE PHE 34 - HE1 TRP 51 14.286% * 0.1105% (0.45 1.0 0.02 0.02) = 0.110% Peak 1113 (7.14, 9.50, 128.89 ppm): 1 chemical-shift based assignment, quality = 0.566, support = 1.88, residual support = 56.1: * O HD1 TRP 51 - HE1 TRP 51 100.000% *100.0000% (0.57 10.0 1.88 56.12) = 100.000% kept Peak 1114 (2.80, 9.50, 128.89 ppm): 8 chemical-shift based assignments, quality = 0.871, support = 1.33, residual support = 3.02: HA2 GLY 58 - HE1 TRP 51 12.500% * 41.0430% (0.97 1.46 3.68) = 41.043% kept * HA1 GLY 58 - HE1 TRP 51 12.500% * 41.0362% (0.88 1.60 3.68) = 41.036% kept HB3 ASN 57 - HE1 TRP 51 12.500% * 11.7309% (0.65 0.62 0.02) = 11.731% kept HB3 ASN 89 - HE1 TRP 51 12.500% * 2.6866% (0.97 0.10 0.02) = 2.687% kept HB2 ASN 119 - HE1 TRP 51 12.500% * 2.0121% (0.65 0.11 0.02) = 2.012% kept HB3 ASN 119 - HE1 TRP 51 12.500% * 0.5447% (0.18 0.11 0.02) = 0.545% HE3 LYS+ 32 - HE1 TRP 51 12.500% * 0.5230% (0.90 0.02 0.26) = 0.523% HE3 LYS+ 111 - HE1 TRP 51 12.500% * 0.4235% (0.73 0.02 0.02) = 0.423% Peak 1115 (2.22, 9.50, 128.89 ppm): 14 chemical-shift based assignments, quality = 0.828, support = 1.23, residual support = 6.37: HB2 GLU- 50 - HE1 TRP 51 7.143% * 38.1054% (0.92 1.95 13.00) = 38.105% kept HG3 GLU- 18 - HE1 TRP 51 7.143% * 16.2832% (0.97 0.80 0.12) = 16.283% kept HB3 PRO 52 - HE1 TRP 51 7.143% * 13.7302% (0.98 0.66 6.78) = 13.730% kept * HA1 GLY 58 - HE1 TRP 51 7.143% * 12.5194% (0.37 1.60 3.68) = 12.519% kept HG3 MET 118 - HE1 TRP 51 7.143% * 7.1340% (1.00 0.34 0.02) = 7.134% kept HG2 GLU- 56 - HE1 TRP 51 7.143% * 4.9809% (0.53 0.45 0.02) = 4.981% kept HG3 GLU- 54 - HE1 TRP 51 7.143% * 3.1601% (0.41 0.36 0.02) = 3.160% kept HG3 GLU- 107 - HE1 TRP 51 7.143% * 1.6696% (0.95 0.08 0.02) = 1.670% kept HG3 GLU- 109 - HE1 TRP 51 7.143% * 1.4742% (0.84 0.08 0.02) = 1.474% kept HG3 GLU- 75 - HE1 TRP 51 7.143% * 0.3533% (0.84 0.02 0.02) = 0.353% HG3 MET 126 - HE1 TRP 51 7.143% * 0.3233% (0.76 0.02 0.02) = 0.323% HB2 LYS+ 113 - HE1 TRP 51 7.143% * 0.1176% (0.28 0.02 0.02) = 0.118% HB VAL 80 - HE1 TRP 51 7.143% * 0.0837% (0.20 0.02 0.02) = 0.084% HG2 MET 126 - HE1 TRP 51 7.143% * 0.0653% (0.15 0.02 0.02) = 0.065% Peak 1116 (1.91, 9.50, 128.89 ppm): 13 chemical-shift based assignments, quality = 0.831, support = 0.376, residual support = 10.6: HB2 LEU 23 - HE1 TRP 51 7.692% * 44.4702% (0.95 0.57 21.60) = 44.470% kept HB ILE 29 - HE1 TRP 51 7.692% * 21.6207% (0.73 0.36 4.43) = 21.621% kept HB3 GLU- 56 - HE1 TRP 51 7.692% * 13.3711% (0.97 0.17 0.02) = 13.371% kept HB3 GLU- 54 - HE1 TRP 51 7.692% * 6.6327% (0.87 0.09 0.02) = 6.633% kept HG2 GLU- 18 - HE1 TRP 51 7.692% * 5.6848% (0.28 0.25 0.12) = 5.685% kept HD3 LYS+ 63 - HE1 TRP 51 7.692% * 1.6329% (0.99 0.02 0.02) = 1.633% kept HB3 GLN 102 - HE1 TRP 51 7.692% * 1.4775% (0.90 0.02 0.02) = 1.477% kept HB3 PRO 35 - HE1 TRP 51 7.692% * 1.4290% (0.87 0.02 0.02) = 1.429% kept HB3 MET 118 - HE1 TRP 51 7.692% * 1.1963% (0.73 0.02 0.02) = 1.196% kept HB3 CYS 123 - HE1 TRP 51 7.692% * 0.8019% (0.49 0.02 0.02) = 0.802% HB2 PRO 116 - HE1 TRP 51 7.692% * 0.7386% (0.45 0.02 0.02) = 0.739% HG2 PRO 112 - HE1 TRP 51 7.692% * 0.6183% (0.38 0.02 0.02) = 0.618% HB2 GLU- 75 - HE1 TRP 51 7.692% * 0.3260% (0.20 0.02 0.02) = 0.326% Peak 1117 (1.75, 9.50, 128.89 ppm): 5 chemical-shift based assignments, quality = 0.483, support = 1.44, residual support = 5.47: HB3 GLU- 50 - HE1 TRP 51 20.000% * 41.7980% (0.41 2.18 13.00) = 41.798% kept HB3 GLU- 18 - HE1 TRP 51 20.000% * 21.2794% (0.41 1.11 0.12) = 21.279% kept * HB3 ARG+ 53 - HE1 TRP 51 20.000% * 21.2408% (0.41 1.11 0.02) = 21.241% kept HB2 ARG+ 84 - HE1 TRP 51 20.000% * 14.7686% (0.92 0.34 0.02) = 14.769% kept HB VAL 94 - HE1 TRP 51 20.000% * 0.9131% (0.98 0.02 0.02) = 0.913% Peak 1118 (1.43, 9.50, 128.89 ppm): 10 chemical-shift based assignments, quality = 0.808, support = 0.116, residual support = 0.146: * HG3 LYS+ 55 - HE1 TRP 51 10.000% * 48.0674% (1.00 0.17 0.28) = 48.067% kept QB ALA 37 - HE1 TRP 51 10.000% * 15.2338% (0.41 0.13 0.02) = 15.234% kept HG LEU 74 - HE1 TRP 51 10.000% * 7.8971% (0.35 0.08 0.02) = 7.897% kept HD3 LYS+ 113 - HE1 TRP 51 10.000% * 5.5147% (1.00 0.02 0.02) = 5.515% kept HB3 LYS+ 60 - HE1 TRP 51 10.000% * 5.1021% (0.92 0.02 0.02) = 5.102% kept HG LEU 90 - HE1 TRP 51 10.000% * 4.7943% (0.87 0.02 0.02) = 4.794% kept HG3 LYS+ 108 - HE1 TRP 51 10.000% * 4.6165% (0.84 0.02 0.02) = 4.617% kept HD3 LYS+ 44 - HE1 TRP 51 10.000% * 4.6165% (0.84 0.02 0.02) = 4.617% kept QG2 THR 38 - HE1 TRP 51 10.000% * 2.2722% (0.41 0.02 0.02) = 2.272% kept QB ALA 42 - HE1 TRP 51 10.000% * 1.8853% (0.34 0.02 0.02) = 1.885% kept Not enough support, support cutoff is 0.25 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): 6 chemical-shift based assignments, quality = 0.989, support = 5.17, residual support = 60.2: * O HA ILE 29 - HN ILE 29 16.667% * 99.3958% (1.00 10.0 5.20 60.56) = 99.396% kept HA PRO 112 - HN ILE 29 16.667% * 0.4321% (0.89 1.0 0.10 0.02) = 0.432% HA PRO 104 - HN ILE 29 16.667% * 0.0862% (0.86 1.0 0.02 0.02) = 0.086% HA LEU 90 - HN ILE 29 16.667% * 0.0409% (0.41 1.0 0.02 0.02) = 0.041% HA THR 106 - HN ILE 29 16.667% * 0.0276% (0.28 1.0 0.02 0.02) = 0.028% HA VAL 94 - HN ILE 29 16.667% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% Peak 1121 (5.96, 9.30, 121.49 ppm): 1 chemical-shift based assignment, quality = 0.277, support = 4.31, residual support = 23.4: * O HA ASP- 28 - HN ILE 29 100.000% *100.0000% (0.28 10.0 4.31 23.43) = 100.000% kept Peak 1124 (0.83, 9.30, 121.49 ppm): 11 chemical-shift based assignments, quality = 0.879, support = 3.59, residual support = 43.7: * QD1 ILE 29 - HN ILE 29 9.091% * 70.9316% (1.00 4.73 60.56) = 70.932% kept QD2 LEU 17 - HN ILE 29 9.091% * 10.7736% (0.57 1.27 6.02) = 10.774% kept HG LEU 74 - HN ILE 29 9.091% * 5.8723% (0.38 1.03 0.32) = 5.872% kept HG2 LYS+ 113 - HN ILE 29 9.091% * 3.9843% (0.87 0.31 0.34) = 3.984% kept HG3 LYS+ 113 - HN ILE 29 9.091% * 3.1551% (0.69 0.31 0.34) = 3.155% kept HG2 LYS+ 117 - HN ILE 29 9.091% * 2.6516% (0.73 0.24 0.23) = 2.652% kept HG3 LYS+ 117 - HN ILE 29 9.091% * 2.0673% (0.57 0.24 0.23) = 2.067% kept QG1 VAL 94 - HN ILE 29 9.091% * 0.2400% (0.80 0.02 0.02) = 0.240% QD2 LEU 90 - HN ILE 29 9.091% * 0.1344% (0.45 0.02 0.02) = 0.134% HB ILE 101 - HN ILE 29 9.091% * 0.1232% (0.41 0.02 0.02) = 0.123% QD2 LEU 67 - HN ILE 29 9.091% * 0.0667% (0.22 0.02 0.02) = 0.067% Peak 1125 (1.93, 9.30, 121.49 ppm): 14 chemical-shift based assignments, quality = 0.982, support = 5.17, residual support = 55.4: * O HB ILE 29 - HN ILE 29 7.143% * 89.8995% (1.00 10.0 5.56 60.56) = 89.900% kept HB2 LEU 23 - HN ILE 29 7.143% * 8.2840% (0.90 1.0 2.05 11.48) = 8.284% kept HB3 GLU- 56 - HN ILE 29 7.143% * 1.1156% (0.87 1.0 0.29 0.25) = 1.116% kept HB2 GLU- 75 - HN ILE 29 7.143% * 0.2134% (0.61 1.0 0.08 0.02) = 0.213% HB3 PRO 35 - HN ILE 29 7.143% * 0.0868% (0.96 1.0 0.02 0.02) = 0.087% HB2 PRO 116 - HN ILE 29 7.143% * 0.0806% (0.90 1.0 0.02 0.02) = 0.081% HG2 PRO 112 - HN ILE 29 7.143% * 0.0751% (0.83 1.0 0.02 0.02) = 0.075% HD3 LYS+ 63 - HN ILE 29 7.143% * 0.0582% (0.65 1.0 0.02 0.02) = 0.058% HB3 GLN 102 - HN ILE 29 7.143% * 0.0403% (0.45 1.0 0.02 0.02) = 0.040% HB3 LYS+ 55 - HN ILE 29 7.143% * 0.0370% (0.41 1.0 0.02 0.02) = 0.037% HB3 GLU- 54 - HN ILE 29 7.143% * 0.0370% (0.41 1.0 0.02 0.02) = 0.037% HG3 PRO 31 - HN ILE 29 7.143% * 0.0337% (0.37 1.0 0.02 0.49) = 0.034% HB3 MET 118 - HN ILE 29 7.143% * 0.0250% (0.28 1.0 0.02 0.02) = 0.025% HG3 PRO 116 - HN ILE 29 7.143% * 0.0139% (0.15 1.0 0.02 0.02) = 0.014% Peak 1127 (6.64, 6.64, 110.39 ppm): 1 diagonal assignment: * HE21 GLN 102 - HE21 GLN 102 (0.44) kept Peak 1129 (8.28, 8.28, 120.11 ppm): 1 diagonal assignment: * HN ASN 89 - HN ASN 89 (0.91) kept Peak 1130 (4.68, 8.28, 120.11 ppm): 6 chemical-shift based assignments, quality = 0.978, support = 1.92, residual support = 5.88: * O HA ASN 89 - HN ASN 89 16.667% * 99.6542% (0.98 10.0 1.93 5.90) = 99.654% kept HA ASN 119 - HN ASN 89 16.667% * 0.1030% (0.98 1.0 0.02 0.02) = 0.103% HA THR 61 - HN ASN 89 16.667% * 0.0996% (0.95 1.0 0.02 0.02) = 0.100% HA TYR 83 - HN ASN 89 16.667% * 0.0826% (0.79 1.0 0.02 0.02) = 0.083% HA ASP- 36 - HN ASN 89 16.667% * 0.0319% (0.30 1.0 0.02 0.02) = 0.032% HA LYS+ 120 - HN ASN 89 16.667% * 0.0287% (0.27 1.0 0.02 0.02) = 0.029% 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): 15 chemical-shift based assignments, quality = 0.935, support = 1.45, residual support = 3.39: * O HA GLU- 56 - HN ASN 57 6.667% * 86.1062% (0.97 10.0 1.53 3.93) = 86.106% kept HA GLU- 75 - HN ASN 57 6.667% * 5.1792% (0.95 1.0 0.94 0.25) = 5.179% kept HA PRO 59 - HN ASN 57 6.667% * 4.1139% (0.67 1.0 1.05 0.02) = 4.114% kept HD3 PRO 59 - HN ASN 57 6.667% * 3.6325% (0.59 1.0 1.05 0.02) = 3.633% kept HA VAL 65 - HN ASN 57 6.667% * 0.4029% (0.67 1.0 0.10 0.02) = 0.403% HA2 GLY 114 - HN ASN 57 6.667% * 0.1075% (0.93 1.0 0.02 0.02) = 0.107% HA ARG+ 84 - HN ASN 57 6.667% * 0.0825% (0.71 1.0 0.02 0.02) = 0.083% HA LYS+ 108 - HN ASN 57 6.667% * 0.0825% (0.71 1.0 0.02 0.02) = 0.083% HA SER 85 - HN ASN 57 6.667% * 0.0689% (0.59 1.0 0.02 0.02) = 0.069% HA PRO 52 - HN ASN 57 6.667% * 0.0689% (0.59 1.0 0.02 0.02) = 0.069% HA ALA 91 - HN ASN 57 6.667% * 0.0643% (0.55 1.0 0.02 0.02) = 0.064% HA GLU- 54 - HN ASN 57 6.667% * 0.0283% (0.24 1.0 0.02 0.02) = 0.028% HA SER 49 - HN ASN 57 6.667% * 0.0225% (0.19 1.0 0.02 0.02) = 0.022% HA GLU- 18 - HN ASN 57 6.667% * 0.0199% (0.17 1.0 0.02 0.02) = 0.020% HA THR 106 - HN ASN 57 6.667% * 0.0199% (0.17 1.0 0.02 0.02) = 0.020% 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): 3 chemical-shift based assignments, quality = 0.833, support = 0.727, residual support = 0.536: HE3 LYS+ 60 - HN PHE 21 33.333% * 83.2759% (0.87 0.84 0.63) = 83.276% kept HA1 GLY 58 - HN PHE 21 33.333% * 14.6064% (0.63 0.20 0.02) = 14.606% kept HG3 MET 97 - HN PHE 21 33.333% * 2.1177% (0.92 0.02 0.42) = 2.118% kept Peak 1144 (1.91, 8.94, 123.00 ppm): 12 chemical-shift based assignments, quality = 0.617, support = 2.55, residual support = 13.3: HB ILE 29 - HN PHE 21 8.333% * 71.4694% (0.61 3.41 18.47) = 71.469% kept HB2 LEU 23 - HN PHE 21 8.333% * 16.6988% (0.87 0.56 0.35) = 16.699% kept HB2 PRO 116 - HN PHE 21 8.333% * 4.4082% (0.34 0.37 0.02) = 4.408% kept HB3 MET 118 - HN PHE 21 8.333% * 2.3644% (0.83 0.08 0.02) = 2.364% kept HG2 GLU- 18 - HN PHE 21 8.333% * 1.2907% (0.37 0.10 0.02) = 1.291% kept HD3 LYS+ 63 - HN PHE 21 8.333% * 0.6894% (1.00 0.02 0.02) = 0.689% HB3 GLN 102 - HN PHE 21 8.333% * 0.6668% (0.96 0.02 0.02) = 0.667% HB3 GLU- 54 - HN PHE 21 8.333% * 0.6536% (0.94 0.02 0.02) = 0.654% HB3 GLU- 56 - HN PHE 21 8.333% * 0.6196% (0.90 0.02 0.02) = 0.620% HB3 PRO 35 - HN PHE 21 8.333% * 0.5280% (0.76 0.02 0.02) = 0.528% HB3 CYS 123 - HN PHE 21 8.333% * 0.4190% (0.61 0.02 0.02) = 0.419% HG2 PRO 112 - HN PHE 21 8.333% * 0.1921% (0.28 0.02 0.02) = 0.192% Peak 1146 (5.35, 8.71, 122.58 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1150 (3.84, 8.21, 118.40 ppm): 9 chemical-shift based assignments, quality = 0.44, support = 4.66, residual support = 23.1: O HA LYS+ 44 - HN GLU- 45 11.111% * 59.9307% (0.50 10.0 5.44 22.09) = 59.931% kept * O HA GLU- 45 - HN GLU- 45 11.111% * 29.5361% (0.25 10.0 4.35 33.54) = 29.536% kept HA ILE 48 - HN GLU- 45 11.111% * 4.9957% (0.56 1.0 1.50 0.02) = 4.996% kept HA2 GLY 92 - HN GLU- 45 11.111% * 3.2138% (0.83 1.0 0.65 0.02) = 3.214% kept HD3 PRO 86 - HN GLU- 45 11.111% * 2.1761% (0.60 1.0 0.61 0.02) = 2.176% kept HD3 PRO 116 - HN GLU- 45 11.111% * 0.0766% (0.64 1.0 0.02 0.02) = 0.077% HB3 SER 41 - HN GLU- 45 11.111% * 0.0264% (0.22 1.0 0.02 0.02) = 0.026% HB3 SER 88 - HN GLU- 45 11.111% * 0.0264% (0.22 1.0 0.02 0.02) = 0.026% HA VAL 87 - HN GLU- 45 11.111% * 0.0183% (0.15 1.0 0.02 0.28) = 0.018% Peak 1151 (0.09, 7.30, 114.60 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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 = 0.941, support = 0.707, residual support = 0.944: HA LEU 67 - HN ILE 100 100.000% *100.0000% (0.94 0.71 0.94) = 100.000% kept Peak 1154 (4.06, 7.40, 116.14 ppm): 5 chemical-shift based assignments, quality = 0.516, support = 2.8, residual support = 13.7: * O HA LYS+ 63 - HN GLU- 64 20.000% * 91.1102% (0.48 10.0 3.01 15.04) = 91.110% kept HB2 SER 49 - HN GLU- 64 20.000% * 6.7862% (0.92 1.0 0.79 0.02) = 6.786% kept HB3 SER 85 - HN GLU- 64 20.000% * 1.8724% (0.68 1.0 0.29 0.02) = 1.872% kept HA LYS+ 44 - HN GLU- 64 20.000% * 0.1600% (0.85 1.0 0.02 0.02) = 0.160% HB3 SER 77 - HN GLU- 64 20.000% * 0.0711% (0.38 1.0 0.02 0.02) = 0.071% Peak 1156 (3.43, 7.40, 116.14 ppm): 7 chemical-shift based assignments, quality = 0.587, support = 2.64, residual support = 5.04: * HA VAL 62 - HN GLU- 64 14.286% * 89.2153% (0.64 2.88 5.60) = 89.215% kept HA ILE 48 - HN GLU- 64 14.286% * 7.6592% (0.16 0.98 0.58) = 7.659% kept HA THR 39 - HN GLU- 64 14.286% * 0.9563% (0.99 0.02 0.02) = 0.956% HB2 SER 69 - HN GLU- 64 14.286% * 0.9250% (0.96 0.02 0.02) = 0.925% HB THR 79 - HN GLU- 64 14.286% * 0.9067% (0.94 0.02 0.02) = 0.907% HA VAL 80 - HN GLU- 64 14.286% * 0.1897% (0.20 0.02 0.02) = 0.190% HB3 TRP 51 - HN GLU- 64 14.286% * 0.1479% (0.15 0.02 0.02) = 0.148% Peak 1157 (4.96, 8.87, 121.88 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1158 (4.92, 8.74, 127.82 ppm): 3 chemical-shift based assignments, quality = 0.858, support = 1.99, residual support = 18.4: * HA GLN 102 - HN ILE 101 33.333% * 92.1577% (0.87 2.15 20.00) = 92.158% kept HA ALA 33 - HN ILE 101 33.333% * 6.8877% (0.87 0.16 0.13) = 6.888% kept HA HIS+ 98 - HN ILE 101 33.333% * 0.9546% (0.96 0.02 0.02) = 0.955% Peak 1159 (4.73, 8.30, 121.53 ppm): 4 chemical-shift based assignments, quality = 0.662, support = 0.925, residual support = 0.608: HA PRO 31 - HN VAL 99 25.000% * 89.0572% (0.70 1.02 0.66) = 89.057% kept HA2 GLY 30 - HN VAL 99 25.000% * 9.4297% (0.45 0.17 0.23) = 9.430% kept HA MET 118 - HN VAL 99 25.000% * 0.8269% (0.33 0.02 0.02) = 0.827% HA VAL 40 - HN VAL 99 25.000% * 0.6861% (0.27 0.02 0.02) = 0.686% Peak 1160 (8.96, 8.60, 125.48 ppm): 4 chemical-shift based assignments, quality = 0.881, support = 4.05, residual support = 7.47: T HN MET 97 - HN LYS+ 20 25.000% * 75.5500% (0.96 10.00 4.12 8.82) = 75.550% kept HN THR 96 - HN LYS+ 20 25.000% * 12.1749% (0.65 1.00 4.81 3.17) = 12.175% kept * HN PHE 21 - HN LYS+ 20 25.000% * 7.4461% (0.53 1.00 3.62 4.90) = 7.446% kept HN ARG+ 22 - HN LYS+ 20 25.000% * 4.8290% (0.73 1.00 1.70 1.14) = 4.829% kept Peak 1161 (4.97, 9.47, 124.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1162 (3.97, 8.60, 125.48 ppm): 7 chemical-shift based assignments, quality = 0.773, support = 0.728, residual support = 0.163: HB THR 95 - HN LYS+ 20 14.286% * 33.0093% (0.57 1.26 0.29) = 33.009% kept HA LYS+ 44 - HN LYS+ 20 14.286% * 28.5069% (0.99 0.62 0.15) = 28.507% kept HB3 SER 77 - HN LYS+ 20 14.286% * 14.6054% (0.99 0.32 0.02) = 14.605% kept HA1 GLY 92 - HN LYS+ 20 14.286% * 12.3274% (0.57 0.47 0.02) = 12.327% kept HA ALA 93 - HN LYS+ 20 14.286% * 11.1300% (0.80 0.30 0.17) = 11.130% kept HA1 GLY 114 - HN LYS+ 20 14.286% * 0.2583% (0.28 0.02 0.02) = 0.258% HB THR 39 - HN LYS+ 20 14.286% * 0.1627% (0.17 0.02 0.02) = 0.163% Peak 1163 (4.69, 8.60, 125.48 ppm): 5 chemical-shift based assignments, quality = 0.692, support = 0.586, residual support = 0.817: HA THR 61 - HN LYS+ 20 20.000% * 49.7566% (0.92 0.48 0.28) = 49.757% kept * HA2 GLY 30 - HN LYS+ 20 20.000% * 35.9594% (0.34 0.93 1.87) = 35.959% kept HA ASN 119 - HN LYS+ 20 20.000% * 11.5415% (0.83 0.12 0.02) = 11.541% kept HA ASN 89 - HN LYS+ 20 20.000% * 1.8121% (0.80 0.02 0.02) = 1.812% kept HA TYR 83 - HN LYS+ 20 20.000% * 0.9304% (0.41 0.02 0.02) = 0.930% 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 = 0.41, support = 0.294, residual support = 0.184: T HN THR 95 - HN ARG+ 22 16.667% * 87.1769% (0.41 10.00 0.29 0.21) = 87.177% kept HN SER 69 - HN ARG+ 22 16.667% * 9.1232% (0.25 1.00 0.49 0.02) = 9.123% kept HN PHE 34 - HN ARG+ 22 16.667% * 1.4825% (1.00 1.00 0.02 0.02) = 1.482% kept HN VAL 62 - HN ARG+ 22 16.667% * 1.4339% (0.97 1.00 0.02 0.02) = 1.434% kept HN ILE 101 - HN ARG+ 22 16.667% * 0.4131% (0.28 1.00 0.02 0.02) = 0.413% HN GLU- 56 - HN ARG+ 22 16.667% * 0.3705% (0.25 1.00 0.02 0.02) = 0.370% Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 1166 (8.94, 8.78, 126.61 ppm): 4 chemical-shift based assignments, quality = 0.949, support = 3.99, residual support = 13.7: * T HN THR 96 - HN THR 95 25.000% * 82.9702% (0.98 10.00 4.65 16.50) = 82.970% kept T HN ARG+ 22 - HN THR 95 25.000% * 11.7368% (0.97 10.00 0.29 0.21) = 11.737% kept HN MET 97 - HN THR 95 25.000% * 4.4611% (0.48 1.00 2.21 0.28) = 4.461% kept HN PHE 21 - HN THR 95 25.000% * 0.8319% (0.96 1.00 0.20 0.02) = 0.832% Peak 1167 (7.90, 7.97, 120.59 ppm): 2 chemical-shift based assignments, quality = 0.523, support = 2.82, residual support = 6.05: * HN LYS+ 44 - HN LEU 43 50.000% * 93.1168% (0.54 3.00 6.50) = 93.117% kept HN LEU 90 - HN LEU 43 50.000% * 6.8832% (0.36 0.33 0.02) = 6.883% 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 = 3.38, residual support = 14.3: * T HN GLU- 56 - HN LYS+ 55 25.000% * 99.6358% (0.94 10.00 3.39 14.37) = 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 = 0.408, support = 3.66, residual support = 16.6: * HA ILE 48 - HN VAL 47 33.333% * 97.8204% (0.41 3.74 16.99) = 97.820% kept HB3 SER 69 - HN VAL 47 33.333% * 1.2438% (0.96 0.02 0.02) = 1.244% kept HA1 GLY 30 - HN VAL 47 33.333% * 0.9358% (0.73 0.02 0.02) = 0.936% Peak 1171 (3.70, 7.79, 118.77 ppm): 4 chemical-shift based assignments, quality = 0.931, support = 1.18, residual support = 1.43: HA ILE 48 - HN THR 46 25.000% * 83.3552% (0.99 1.34 1.71) = 83.355% kept HD2 PRO 52 - HN THR 46 25.000% * 15.7001% (0.65 0.39 0.02) = 15.700% kept HA LYS+ 81 - HN THR 46 25.000% * 0.5595% (0.45 0.02 0.02) = 0.559% HA SER 27 - HN THR 46 25.000% * 0.3852% (0.31 0.02 0.02) = 0.385% Peak 1172 (9.29, 8.02, 117.84 ppm): 2 chemical-shift based assignments, quality = 0.84, support = 0.879, residual support = 0.51: HN ILE 29 - HN SER 27 50.000% * 66.3339% (0.78 1.10 0.68) = 66.334% kept HN LEU 23 - HN SER 27 50.000% * 33.6661% (0.97 0.45 0.17) = 33.666% kept Peak 1173 (5.97, 9.29, 130.07 ppm): 1 chemical-shift based assignment, quality = 0.448, support = 1.19, residual support = 1.79: HA ASP- 28 - HN LEU 23 100.000% *100.0000% (0.45 1.19 1.79) = 100.000% kept Peak 1174 (5.18, 9.30, 121.49 ppm): 1 chemical-shift based assignment, quality = 0.339, support = 1.49, residual support = 6.12: * HA ARG+ 22 - HN ILE 29 100.000% *100.0000% (0.34 1.49 6.12) = 100.000% kept Peak 1175 (4.72, 8.03, 123.92 ppm): 3 chemical-shift based assignments, quality = 0.954, support = 1.18, residual support = 0.692: HA2 GLY 30 - HN ILE 19 33.333% * 80.1804% (0.99 1.39 0.27) = 80.180% kept HA PRO 31 - HN ILE 19 33.333% * 17.2877% (0.89 0.33 2.74) = 17.288% kept HA THR 61 - HN ILE 19 33.333% * 2.5319% (0.15 0.28 0.02) = 2.532% kept Peak 1176 (3.88, 8.03, 123.92 ppm): 10 chemical-shift based assignments, quality = 0.763, support = 0.297, residual support = 0.564: HD2 PRO 116 - HN ILE 19 10.000% * 38.1002% (0.96 0.37 0.22) = 38.100% kept HA LYS+ 44 - HN ILE 19 10.000% * 28.5985% (0.70 0.38 1.66) = 28.599% kept HB2 SER 85 - HN ILE 19 10.000% * 8.8185% (0.94 0.09 0.02) = 8.819% kept HA VAL 87 - HN ILE 19 10.000% * 6.4036% (0.68 0.09 0.02) = 6.404% kept HB3 SER 77 - HN ILE 19 10.000% * 6.1440% (0.22 0.26 0.02) = 6.144% kept HD3 PRO 86 - HN ILE 19 10.000% * 5.8340% (0.20 0.28 0.02) = 5.834% kept HA VAL 125 - HN ILE 19 10.000% * 2.1096% (0.99 0.02 0.02) = 2.110% kept HD2 PRO 86 - HN ILE 19 10.000% * 1.9648% (0.92 0.02 0.02) = 1.965% kept HB3 SER 88 - HN ILE 19 10.000% * 1.2050% (0.56 0.02 0.02) = 1.205% kept HA ILE 48 - HN ILE 19 10.000% * 0.8218% (0.38 0.02 0.02) = 0.822% Peak 1177 (3.47, 7.90, 118.11 ppm): 6 chemical-shift based assignments, quality = 0.627, support = 0.941, residual support = 0.46: HD3 PRO 31 - HN LYS+ 44 16.667% * 34.4672% (0.81 1.02 0.49) = 34.467% kept HA1 GLY 71 - HN LYS+ 44 16.667% * 26.9683% (0.78 0.83 0.24) = 26.968% kept HA VAL 80 - HN LYS+ 44 16.667% * 19.4724% (0.37 1.26 0.90) = 19.472% kept HA ILE 48 - HN LYS+ 44 16.667% * 9.5200% (0.27 0.86 0.53) = 9.520% kept HA1 GLY 30 - HN LYS+ 44 16.667% * 8.1966% (0.44 0.45 0.02) = 8.197% kept HB3 SER 69 - HN LYS+ 44 16.667% * 1.3756% (0.20 0.16 0.02) = 1.376% kept Peak 1178 (7.40, 8.74, 120.07 ppm): 2 chemical-shift based assignments, quality = 0.645, support = 3.25, residual support = 7.08: HN GLU- 64 - HN VAL 62 50.000% * 80.7988% (0.77 3.06 5.60) = 80.799% kept HN THR 61 - HN VAL 62 50.000% * 19.2012% (0.14 4.06 13.30) = 19.201% 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): 14 chemical-shift based assignments, quality = 0.337, support = 2.73, residual support = 8.05: O HA VAL 80 - HN LYS+ 81 7.143% * 72.3471% (0.17 10.0 3.37 11.00) = 72.347% kept HB THR 79 - HN LYS+ 81 7.143% * 22.0919% (0.84 1.0 1.28 0.41) = 22.092% kept HA THR 39 - HN THR 106 7.143% * 1.4888% (0.77 1.0 0.09 0.02) = 1.489% kept HA THR 39 - HN LYS+ 81 7.143% * 1.4072% (0.88 1.0 0.08 0.02) = 1.407% kept HA ILE 48 - HN LYS+ 81 7.143% * 1.0401% (0.14 1.0 0.35 0.02) = 1.040% kept HB2 SER 69 - HN LYS+ 81 7.143% * 0.3528% (0.85 1.0 0.02 0.02) = 0.353% HB2 SER 69 - HN THR 106 7.143% * 0.3075% (0.74 1.0 0.02 0.02) = 0.308% HB THR 79 - HN THR 106 7.143% * 0.3014% (0.73 1.0 0.02 0.02) = 0.301% HA VAL 62 - HN LYS+ 81 7.143% * 0.2365% (0.57 1.0 0.02 0.45) = 0.236% HA VAL 62 - HN THR 106 7.143% * 0.2061% (0.50 1.0 0.02 0.02) = 0.206% HA VAL 80 - HN THR 106 7.143% * 0.0631% (0.15 1.0 0.02 0.02) = 0.063% HB3 TRP 51 - HN LYS+ 81 7.143% * 0.0564% (0.14 1.0 0.02 0.41) = 0.056% HA ILE 48 - HN THR 106 7.143% * 0.0519% (0.13 1.0 0.02 0.02) = 0.052% HB3 TRP 51 - HN THR 106 7.143% * 0.0492% (0.12 1.0 0.02 0.02) = 0.049% Peak 1181 (2.66, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.426, support = 1.7, residual support = 5.6: HB3 ASP- 82 - HN LYS+ 81 16.667% * 83.0656% (0.36 2.03 6.74) = 83.066% kept HA1 GLY 58 - HN THR 106 16.667% * 11.1226% (0.77 0.13 0.02) = 11.123% kept HA1 GLY 58 - HN LYS+ 81 16.667% * 1.9880% (0.88 0.02 0.02) = 1.988% kept HE2 LYS+ 120 - HN LYS+ 81 16.667% * 1.6621% (0.74 0.02 0.02) = 1.662% kept HE2 LYS+ 120 - HN THR 106 16.667% * 1.4487% (0.64 0.02 0.02) = 1.449% kept HB3 ASP- 82 - HN THR 106 16.667% * 0.7130% (0.32 0.02 0.02) = 0.713% Peak 1182 (1.35, 8.24, 118.79 ppm): 24 chemical-shift based assignments, quality = 0.466, support = 0.966, residual support = 1.19: HG LEU 74 - HN LYS+ 81 4.167% * 42.7422% (0.50 1.47 2.21) = 42.742% kept HG3 ARG+ 22 - HN LYS+ 81 4.167% * 22.0727% (0.84 0.45 0.16) = 22.073% kept HG LEU 74 - HN THR 106 4.167% * 14.2864% (0.32 0.77 0.75) = 14.286% kept QG2 THR 39 - HN LYS+ 81 4.167% * 6.4135% (0.17 0.63 0.02) = 6.414% kept HG LEU 74 - HN GLU- 45 4.167% * 3.8967% (0.03 2.03 2.69) = 3.897% kept HG2 LYS+ 78 - HN LYS+ 81 4.167% * 3.2750% (0.30 0.19 0.02) = 3.275% kept HG13 ILE 19 - HN LYS+ 81 4.167% * 0.9909% (0.85 0.02 0.02) = 0.991% HB2 LEU 17 - HN LYS+ 81 4.167% * 0.8221% (0.71 0.02 0.02) = 0.822% QB ALA 91 - HN LYS+ 81 4.167% * 0.8221% (0.71 0.02 0.02) = 0.822% HB3 LYS+ 20 - HN LYS+ 81 4.167% * 0.7456% (0.64 0.02 0.02) = 0.746% HG13 ILE 19 - HN THR 106 4.167% * 0.6323% (0.54 0.02 0.02) = 0.632% HG3 ARG+ 22 - HN THR 106 4.167% * 0.6197% (0.53 0.02 0.02) = 0.620% QG2 THR 39 - HN THR 106 4.167% * 0.6071% (0.11 0.09 0.02) = 0.607% HB2 LEU 17 - HN THR 106 4.167% * 0.5246% (0.45 0.02 0.02) = 0.525% QB ALA 91 - HN THR 106 4.167% * 0.5246% (0.45 0.02 0.02) = 0.525% HB3 LYS+ 20 - HN THR 106 4.167% * 0.4757% (0.41 0.02 0.02) = 0.476% HG2 LYS+ 78 - HN THR 106 4.167% * 0.2235% (0.19 0.02 0.02) = 0.223% HG13 ILE 19 - HN GLU- 45 4.167% * 0.0657% (0.06 0.02 0.02) = 0.066% HG3 ARG+ 22 - HN GLU- 45 4.167% * 0.0644% (0.06 0.02 0.02) = 0.064% QB ALA 91 - HN GLU- 45 4.167% * 0.0545% (0.05 0.02 0.02) = 0.055% HB2 LEU 17 - HN GLU- 45 4.167% * 0.0545% (0.05 0.02 0.02) = 0.055% HB3 LYS+ 20 - HN GLU- 45 4.167% * 0.0494% (0.04 0.02 0.02) = 0.049% HG2 LYS+ 78 - HN GLU- 45 4.167% * 0.0232% (0.02 0.02 0.02) = 0.023% QG2 THR 39 - HN GLU- 45 4.167% * 0.0135% (0.01 0.02 0.02) = 0.013% Peak 1183 (1.28, 8.24, 118.79 ppm): 15 chemical-shift based assignments, quality = 0.619, support = 1.13, residual support = 1.45: HG LEU 74 - HN LYS+ 81 6.667% * 22.0990% (0.68 1.47 2.21) = 22.099% kept HG2 LYS+ 32 - HN LYS+ 81 6.667% * 19.9770% (0.64 1.40 0.83) = 19.977% kept HB3 LEU 74 - HN LYS+ 81 6.667% * 18.1354% (0.87 0.94 2.21) = 18.135% kept HB2 LYS+ 55 - HN LYS+ 81 6.667% * 13.1979% (0.64 0.93 0.02) = 13.198% kept HB3 LEU 74 - HN THR 106 6.667% * 8.1062% (0.55 0.66 0.75) = 8.106% kept HG LEU 74 - HN THR 106 6.667% * 7.3865% (0.43 0.77 0.75) = 7.386% kept HG2 LYS+ 32 - HN THR 106 6.667% * 5.0714% (0.41 0.56 0.02) = 5.071% kept HG LEU 74 - HN GLU- 45 6.667% * 2.0147% (0.04 2.03 2.69) = 2.015% kept QG2 THR 46 - HN GLU- 45 6.667% * 1.6217% (0.03 2.56 12.03) = 1.622% kept HB3 LEU 74 - HN GLU- 45 6.667% * 1.0408% (0.06 0.82 2.69) = 1.041% kept QG2 THR 46 - HN LYS+ 81 6.667% * 0.7390% (0.43 0.08 0.02) = 0.739% HB2 LYS+ 55 - HN GLU- 45 6.667% * 0.2882% (0.04 0.31 0.02) = 0.288% HB2 LYS+ 55 - HN THR 106 6.667% * 0.1816% (0.41 0.02 0.02) = 0.182% QG2 THR 46 - HN THR 106 6.667% * 0.1217% (0.27 0.02 0.02) = 0.122% HG2 LYS+ 32 - HN GLU- 45 6.667% * 0.0189% (0.04 0.02 0.02) = 0.019% Peak 1184 (4.37, 8.28, 120.11 ppm): 10 chemical-shift based assignments, quality = 0.444, support = 0.94, residual support = 1.45: O HA SER 88 - HN ASN 89 10.000% * 91.0845% (0.44 10.0 1.00 1.59) = 91.084% kept HA LYS+ 117 - HN ASN 89 10.000% * 6.3587% (0.67 1.0 0.46 0.02) = 6.359% kept HA LYS+ 60 - HN ASN 89 10.000% * 0.4054% (0.98 1.0 0.02 0.02) = 0.405% HA THR 38 - HN ASN 89 10.000% * 0.4027% (0.97 1.0 0.02 0.02) = 0.403% HA ALA 37 - HN ASN 89 10.000% * 0.3983% (0.96 1.0 0.02 0.02) = 0.398% HA ASN 57 - HN ASN 89 10.000% * 0.3921% (0.95 1.0 0.02 0.02) = 0.392% HA2 GLY 26 - HN ASN 89 10.000% * 0.3254% (0.79 1.0 0.02 0.02) = 0.325% HA TRP 51 - HN ASN 89 10.000% * 0.3254% (0.79 1.0 0.02 0.02) = 0.325% HA1 GLY 26 - HN ASN 89 10.000% * 0.1822% (0.44 1.0 0.02 0.02) = 0.182% HA THR 95 - HN ASN 89 10.000% * 0.1254% (0.30 1.0 0.02 0.02) = 0.125% 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): 7 chemical-shift based assignments, quality = 0.171, support = 0.628, residual support = 0.414: HN ARG+ 84 - HN THR 96 14.286% * 43.9063% (0.19 0.88 0.52) = 43.906% kept QD PHE 34 - HN THR 96 14.286% * 28.4988% (0.18 0.61 0.41) = 28.499% kept HN VAL 47 - HN THR 96 14.286% * 9.7917% (0.19 0.20 0.02) = 9.792% kept QE PHE 34 - HN THR 96 14.286% * 8.1290% (0.10 0.33 0.41) = 8.129% kept HZ PHE 34 - HN THR 96 14.286% * 7.3170% (0.10 0.30 0.41) = 7.317% kept HN ILE 48 - HN THR 96 14.286% * 1.8611% (0.09 0.08 0.02) = 1.861% kept HZ2 TRP 51 - HN THR 96 14.286% * 0.4960% (0.10 0.02 0.02) = 0.496% Not enough quality. Peak unassigned. Peak 1188 (4.91, 8.96, 124.53 ppm): 4 chemical-shift based assignments, quality = 0.169, support = 1.04, residual support = 1.04: HA ALA 33 - HN THR 96 25.000% * 74.2552% (0.17 1.25 1.39) = 74.255% kept HA HIS+ 98 - HN THR 96 25.000% * 24.3294% (0.15 0.47 0.02) = 24.329% kept HA GLN 102 - HN THR 96 25.000% * 1.1897% (0.17 0.02 0.02) = 1.190% kept HA SER 69 - HN THR 96 25.000% * 0.2257% (0.03 0.02 0.02) = 0.226% Not enough quality. Peak unassigned. Peak 1189 (4.36, 8.96, 124.53 ppm): 11 chemical-shift based assignments, quality = 0.102, support = 0.977, residual support = 2.75: HA LYS+ 60 - HN THR 96 9.091% * 31.1012% (0.15 0.64 0.23) = 31.101% kept HA VAL 94 - HN THR 96 9.091% * 24.1097% (0.04 1.78 8.78) = 24.110% kept HB THR 61 - HN THR 96 9.091% * 22.8007% (0.05 1.35 2.44) = 22.801% kept HA LYS+ 117 - HN THR 96 9.091% * 15.6384% (0.18 0.27 0.02) = 15.638% kept HA2 GLY 26 - HN THR 96 9.091% * 1.2148% (0.19 0.02 0.02) = 1.215% kept HA THR 38 - HN THR 96 9.091% * 1.0919% (0.17 0.02 0.02) = 1.092% kept HA1 GLY 26 - HN THR 96 9.091% * 0.9749% (0.15 0.02 0.02) = 0.975% HA ALA 37 - HN THR 96 9.091% * 0.8841% (0.14 0.02 0.02) = 0.884% HA ASN 57 - HN THR 96 9.091% * 0.8363% (0.13 0.02 0.02) = 0.836% HA SER 88 - HN THR 96 9.091% * 0.8022% (0.03 0.08 0.02) = 0.802% HA TRP 51 - HN THR 96 9.091% * 0.5458% (0.08 0.02 0.02) = 0.546% Not enough quality. 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): 7 chemical-shift based assignments, quality = 0.604, support = 1.56, residual support = 1.16: HG3 ARG+ 22 - HN VAL 99 14.286% * 38.5201% (0.69 2.24 2.11) = 38.520% kept HG13 ILE 19 - HN VAL 99 14.286% * 17.6536% (0.71 0.99 0.16) = 17.654% kept HG LEU 74 - HN VAL 99 14.286% * 16.5676% (0.47 1.40 1.67) = 16.568% kept QB ALA 91 - HN VAL 99 14.286% * 15.6390% (0.53 1.18 0.22) = 15.639% kept HB3 LYS+ 20 - HN VAL 99 14.286% * 11.1482% (0.47 0.96 0.11) = 11.148% kept HB2 LEU 17 - HN VAL 99 14.286% * 0.3798% (0.76 0.02 0.33) = 0.380% HG2 LYS+ 78 - HN VAL 99 14.286% * 0.0916% (0.18 0.02 0.02) = 0.092% Peak 1192 (1.21, 8.30, 121.53 ppm): 2 chemical-shift based assignments, quality = 0.664, support = 1.33, residual support = 1.6: HG LEU 74 - HN VAL 99 50.000% * 82.2213% (0.76 1.40 1.67) = 82.221% kept HB ILE 68 - HN VAL 99 50.000% * 17.7787% (0.23 1.00 1.30) = 17.779% kept Peak 1193 (1.12, 8.25, 118.98 ppm): 14 chemical-shift based assignments, quality = 0.619, support = 0.952, residual support = 0.966: HG LEU 74 - HN LYS+ 81 7.143% * 29.6946% (0.65 1.47 2.21) = 29.695% kept HG LEU 74 - HN THR 106 7.143% * 23.6446% (0.99 0.77 0.75) = 23.645% kept HG3 LYS+ 32 - HN LYS+ 81 7.143% * 10.6281% (0.42 0.81 0.83) = 10.628% kept QG2 THR 79 - HN LYS+ 81 7.143% * 9.3105% (0.18 1.66 0.41) = 9.310% kept QG2 THR 61 - HN LYS+ 81 7.143% * 8.0100% (0.45 0.58 0.02) = 8.010% kept HG3 LYS+ 32 - HN THR 106 7.143% * 5.7316% (0.64 0.29 0.02) = 5.732% kept QB ALA 33 - HN LYS+ 81 7.143% * 4.7941% (0.42 0.37 0.02) = 4.794% kept QB ALA 33 - HN THR 106 7.143% * 3.5028% (0.64 0.18 0.02) = 3.503% kept QG2 THR 96 - HN LYS+ 81 7.143% * 2.7041% (0.65 0.13 0.02) = 2.704% kept QG2 THR 96 - HN THR 106 7.143% * 0.6116% (0.98 0.02 0.02) = 0.612% HD3 LYS+ 111 - HN THR 106 7.143% * 0.4685% (0.75 0.02 0.02) = 0.468% QG2 THR 61 - HN THR 106 7.143% * 0.4211% (0.68 0.02 0.02) = 0.421% HD3 LYS+ 111 - HN LYS+ 81 7.143% * 0.3082% (0.50 0.02 0.02) = 0.308% QG2 THR 79 - HN THR 106 7.143% * 0.1704% (0.27 0.02 0.02) = 0.170% Peak 1195 (4.76, 8.25, 118.98 ppm): 10 chemical-shift based assignments, quality = 0.511, support = 0.558, residual support = 0.166: HA PRO 116 - HN THR 106 10.000% * 69.2881% (0.48 0.77 0.23) = 69.288% kept HA ASP- 115 - HN THR 106 10.000% * 17.2922% (0.64 0.14 0.02) = 17.292% kept HA VAL 40 - HN THR 106 10.000% * 2.8389% (0.75 0.02 0.02) = 2.839% kept HA MET 118 - HN THR 106 10.000% * 2.5517% (0.68 0.02 0.02) = 2.552% kept HA VAL 40 - HN LYS+ 81 10.000% * 1.8676% (0.50 0.02 0.02) = 1.868% kept HA MET 118 - HN LYS+ 81 10.000% * 1.6787% (0.45 0.02 0.02) = 1.679% kept HA ASP- 115 - HN LYS+ 81 10.000% * 1.5809% (0.42 0.02 0.02) = 1.581% kept HA PRO 116 - HN LYS+ 81 10.000% * 1.1895% (0.32 0.02 0.02) = 1.190% kept HA LYS+ 113 - HN THR 106 10.000% * 1.0328% (0.27 0.02 0.02) = 1.033% kept HA LYS+ 113 - HN LYS+ 81 10.000% * 0.6795% (0.18 0.02 0.02) = 0.679% Peak 1196 (1.38, 8.34, 121.70 ppm): 22 chemical-shift based assignments, quality = 0.117, support = 0.983, residual support = 0.683: HG LEU 74 - HN VAL 99 4.545% * 19.0836% (0.06 1.40 1.67) = 19.084% kept HG LEU 74 - HN GLU- 109 4.545% * 16.6565% (0.27 0.29 0.02) = 16.656% kept HG3 ARG+ 22 - HN VAL 99 4.545% * 14.2781% (0.03 2.24 2.11) = 14.278% kept QB ALA 91 - HN VAL 99 4.545% * 12.6176% (0.05 1.18 0.22) = 12.618% kept HB3 LYS+ 20 - HN VAL 99 4.545% * 12.2768% (0.06 0.96 0.11) = 12.277% kept HD3 LYS+ 20 - HN VAL 99 4.545% * 7.3603% (0.10 0.35 0.11) = 7.360% kept HG13 ILE 19 - HN VAL 99 4.545% * 5.6009% (0.03 0.99 0.16) = 5.601% kept QG2 THR 39 - HN GLU- 109 4.545% * 2.3444% (0.55 0.02 0.02) = 2.344% kept HG2 LYS+ 78 - HN GLU- 109 4.545% * 2.0291% (0.48 0.02 0.02) = 2.029% kept HD3 LYS+ 20 - HN GLU- 109 4.545% * 1.7640% (0.41 0.02 0.02) = 1.764% kept HB3 LYS+ 20 - HN GLU- 109 4.545% * 1.0891% (0.26 0.02 0.02) = 1.089% kept QB ALA 91 - HN GLU- 109 4.545% * 0.9117% (0.21 0.02 0.02) = 0.912% QB ALA 42 - HN GLU- 109 4.545% * 0.6057% (0.14 0.02 0.02) = 0.606% QG2 THR 39 - HN VAL 99 4.545% * 0.5522% (0.13 0.02 0.02) = 0.552% HG3 ARG+ 22 - HN GLU- 109 4.545% * 0.5408% (0.13 0.02 0.02) = 0.541% QB ALA 37 - HN GLU- 109 4.545% * 0.4807% (0.11 0.02 0.02) = 0.481% HG13 ILE 19 - HN GLU- 109 4.545% * 0.4807% (0.11 0.02 0.02) = 0.481% QG2 THR 38 - HN GLU- 109 4.545% * 0.4807% (0.11 0.02 0.02) = 0.481% HG2 LYS+ 78 - HN VAL 99 4.545% * 0.4779% (0.11 0.02 0.02) = 0.478% QB ALA 42 - HN VAL 99 4.545% * 0.1427% (0.03 0.02 0.02) = 0.143% QB ALA 37 - HN VAL 99 4.545% * 0.1132% (0.03 0.02 0.02) = 0.113% QG2 THR 38 - HN VAL 99 4.545% * 0.1132% (0.03 0.02 0.02) = 0.113% Not enough quality. Peak unassigned. Peak 1197 (4.78, 8.06, 119.92 ppm): 3 chemical-shift based assignments, quality = 0.948, support = 1.34, residual support = 1.07: HA PRO 116 - HN MET 118 33.333% * 68.9273% (0.97 1.61 1.41) = 68.927% kept HA ASP- 115 - HN MET 118 33.333% * 30.2612% (0.92 0.75 0.34) = 30.261% kept HA LYS+ 113 - HN MET 118 33.333% * 0.8115% (0.92 0.02 0.02) = 0.811% Peak 1198 (4.42, 8.06, 119.92 ppm): 7 chemical-shift based assignments, quality = 0.712, support = 0.343, residual support = 0.0764: HB THR 24 - HN MET 118 14.286% * 45.9061% (0.74 0.43 0.14) = 45.906% kept HA LYS+ 111 - HN MET 118 14.286% * 36.4233% (0.78 0.32 0.02) = 36.423% kept HA SER 88 - HN MET 118 14.286% * 6.4749% (0.13 0.34 0.02) = 6.475% kept HA THR 95 - HN MET 118 14.286% * 3.4315% (0.22 0.11 0.02) = 3.431% kept HA CYS 121 - HN MET 118 14.286% * 2.7761% (0.97 0.02 0.02) = 2.776% kept HA LYS+ 66 - HN MET 118 14.286% * 2.7454% (0.95 0.02 0.02) = 2.745% kept HA THR 24 - HN MET 118 14.286% * 2.2428% (0.78 0.02 0.14) = 2.243% kept Not enough total support, support cutoff is 0.50 Peak unassigned. Peak 1199 (4.20, 8.06, 119.92 ppm): 9 chemical-shift based assignments, quality = 0.726, support = 0.582, residual support = 0.331: HA GLU- 109 - HN MET 118 11.111% * 48.3593% (0.81 0.76 0.42) = 48.359% kept HA GLU- 64 - HN MET 118 11.111% * 24.8090% (0.92 0.34 0.02) = 24.809% kept HA LYS+ 110 - HN MET 118 11.111% * 18.8412% (0.37 0.66 0.64) = 18.841% kept HA ALA 42 - HN MET 118 11.111% * 2.4717% (0.33 0.10 0.02) = 2.472% kept HA LYS+ 44 - HN MET 118 11.111% * 1.8108% (0.24 0.10 0.02) = 1.811% kept HA ASP- 82 - HN MET 118 11.111% * 1.5081% (0.97 0.02 0.02) = 1.508% kept HA MET 126 - HN MET 118 11.111% * 1.1049% (0.71 0.02 0.02) = 1.105% kept HB3 SER 49 - HN MET 118 11.111% * 0.6255% (0.40 0.02 0.02) = 0.626% HA VAL 73 - HN MET 118 11.111% * 0.4696% (0.30 0.02 0.02) = 0.470% Peak 1200 (2.00, 8.06, 119.92 ppm): 13 chemical-shift based assignments, quality = 0.537, support = 0.831, residual support = 0.797: HG2 PRO 116 - HN MET 118 7.692% * 52.7573% (0.44 1.25 1.41) = 52.757% kept HB2 LYS+ 108 - HN MET 118 7.692% * 34.4171% (0.74 0.48 0.15) = 34.417% kept HB3 GLU- 75 - HN MET 118 7.692% * 2.2727% (0.23 0.10 0.02) = 2.273% kept HB2 LYS+ 44 - HN MET 118 7.692% * 2.2319% (0.24 0.10 0.02) = 2.232% kept HG2 PRO 86 - HN MET 118 7.692% * 1.6303% (0.84 0.02 0.02) = 1.630% kept HB VAL 105 - HN MET 118 7.692% * 1.4363% (0.74 0.02 0.02) = 1.436% kept HB2 GLU- 18 - HN MET 118 7.692% * 1.2910% (0.67 0.02 0.02) = 1.291% kept HG2 GLU- 64 - HN MET 118 7.692% * 1.1400% (0.59 0.02 0.02) = 1.140% kept HB3 PRO 112 - HN MET 118 7.692% * 0.7727% (0.40 0.02 0.02) = 0.773% HB2 PRO 112 - HN MET 118 7.692% * 0.6411% (0.33 0.02 0.02) = 0.641% HG3 PRO 104 - HN MET 118 7.692% * 0.5226% (0.27 0.02 0.02) = 0.523% HB3 PRO 31 - HN MET 118 7.692% * 0.4686% (0.24 0.02 0.02) = 0.469% HB VAL 73 - HN MET 118 7.692% * 0.4184% (0.22 0.02 0.02) = 0.418% Peak 1201 (1.81, 8.06, 119.92 ppm): 12 chemical-shift based assignments, quality = 0.702, support = 1.28, residual support = 0.62: HB3 LYS+ 117 - HN MET 118 8.333% * 25.4826% (0.78 1.58 0.60) = 25.483% kept HD3 LYS+ 117 - HN MET 118 8.333% * 21.0676% (0.67 1.52 0.60) = 21.068% kept HB2 GLU- 109 - HN MET 118 8.333% * 18.1096% (0.92 0.95 0.42) = 18.110% kept HB3 PRO 116 - HN MET 118 8.333% * 13.6572% (0.33 1.98 1.41) = 13.657% kept HB2 LYS+ 117 - HN MET 118 8.333% * 10.3136% (0.71 0.70 0.60) = 10.314% kept HB3 LYS+ 108 - HN MET 118 8.333% * 7.5915% (0.74 0.49 0.15) = 7.591% kept HB3 LYS+ 44 - HN MET 118 8.333% * 1.7244% (0.87 0.10 0.02) = 1.724% kept HB3 LYS+ 63 - HN MET 118 8.333% * 1.1578% (0.51 0.11 0.02) = 1.158% kept HD3 LYS+ 72 - HN MET 118 8.333% * 0.3502% (0.84 0.02 0.02) = 0.350% HB3 LYS+ 113 - HN MET 118 8.333% * 0.2932% (0.71 0.02 0.02) = 0.293% HG2 PRO 31 - HN MET 118 8.333% * 0.1515% (0.37 0.02 0.02) = 0.152% HB2 PRO 59 - HN MET 118 8.333% * 0.1007% (0.24 0.02 0.02) = 0.101% Peak 1202 (2.10, 8.06, 119.92 ppm): 12 chemical-shift based assignments, quality = 0.837, support = 0.751, residual support = 0.354: HB2 LYS+ 110 - HN MET 118 8.333% * 42.7029% (0.84 1.23 0.64) = 42.703% kept HB2 LEU 43 - HN MET 118 8.333% * 24.3567% (0.90 0.66 0.02) = 24.357% kept HD3 LYS+ 110 - HN MET 118 8.333% * 11.0363% (0.78 0.34 0.64) = 11.036% kept HB VAL 65 - HN MET 118 8.333% * 7.3211% (0.95 0.19 0.02) = 7.321% kept HB3 GLU- 75 - HN MET 118 8.333% * 4.1401% (0.97 0.10 0.02) = 4.140% kept HB3 LEU 43 - HN MET 118 8.333% * 3.2732% (0.63 0.13 0.02) = 3.273% kept HB VAL 87 - HN MET 118 8.333% * 3.1831% (0.97 0.08 0.02) = 3.183% kept HB3 LYS+ 120 - HN MET 118 8.333% * 2.4729% (0.40 0.15 0.02) = 2.473% kept HB VAL 125 - HN MET 118 8.333% * 0.7580% (0.92 0.02 0.02) = 0.758% HG3 GLU- 56 - HN MET 118 8.333% * 0.4860% (0.59 0.02 0.02) = 0.486% HA1 GLY 58 - HN MET 118 8.333% * 0.1460% (0.18 0.02 0.02) = 0.146% HG3 ARG+ 53 - HN MET 118 8.333% * 0.1236% (0.15 0.02 0.02) = 0.124% Peak 1203 (8.26, 8.26, 120.16 ppm): 1 diagonal assignment: HN ASN 89 - HN ASN 89 (0.23) kept Peak 1204 (4.78, 8.26, 120.16 ppm): 4 chemical-shift based assignments, quality = 0.575, support = 0.879, residual support = 0.335: HA PRO 116 - HN ASN 89 25.000% * 54.7904% (0.60 1.20 0.28) = 54.790% kept HA ASP- 115 - HN ASN 89 25.000% * 24.2206% (0.56 0.57 0.56) = 24.221% kept HA LYS+ 113 - HN ASN 89 25.000% * 19.0380% (0.58 0.43 0.25) = 19.038% kept HA GLU- 107 - HN ASN 89 25.000% * 1.9511% (0.09 0.27 0.02) = 1.951% kept Peak 1207 (8.49, 8.49, 124.44 ppm): 2 diagonal assignments: 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): 24 chemical-shift based assignments, quality = 0.653, support = 3.16, residual support = 25.7: O HA GLU- 18 - HN GLU- 18 4.167% * 95.1100% (0.67 10.0 3.27 26.94) = 95.110% kept HA LYS+ 108 - HN GLU- 107 4.167% * 2.3117% (0.16 1.0 2.02 4.22) = 2.312% kept HA SER 49 - HN GLU- 18 4.167% * 1.7616% (0.70 1.0 0.36 0.02) = 1.762% kept HA PRO 59 - HN GLU- 18 4.167% * 0.1051% (0.74 1.0 0.02 0.02) = 0.105% HA GLU- 54 - HN GLU- 18 4.167% * 0.1051% (0.74 1.0 0.02 0.02) = 0.105% HA LYS+ 108 - HN GLU- 18 4.167% * 0.1021% (0.72 1.0 0.02 0.02) = 0.102% HA2 GLY 114 - HN GLU- 18 4.167% * 0.0737% (0.52 1.0 0.02 0.02) = 0.074% HA GLU- 56 - HN GLU- 18 4.167% * 0.0599% (0.42 1.0 0.02 0.02) = 0.060% HA ALA 42 - HN GLU- 18 4.167% * 0.0554% (0.39 1.0 0.02 0.02) = 0.055% HA LYS+ 110 - HN GLU- 18 4.167% * 0.0511% (0.36 1.0 0.02 0.02) = 0.051% HB3 SER 49 - HN GLU- 18 4.167% * 0.0468% (0.33 1.0 0.02 0.02) = 0.047% HA GLU- 75 - HN GLU- 18 4.167% * 0.0351% (0.25 1.0 0.02 0.14) = 0.035% HA PRO 59 - HN GLU- 107 4.167% * 0.0235% (0.17 1.0 0.02 0.02) = 0.024% HA GLU- 54 - HN GLU- 107 4.167% * 0.0235% (0.17 1.0 0.02 0.02) = 0.024% HA SER 49 - HN GLU- 107 4.167% * 0.0221% (0.16 1.0 0.02 0.02) = 0.022% HA GLU- 18 - HN GLU- 107 4.167% * 0.0213% (0.15 1.0 0.02 0.87) = 0.021% HA2 GLY 114 - HN GLU- 107 4.167% * 0.0165% (0.12 1.0 0.02 0.02) = 0.017% HA LYS+ 44 - HN GLU- 18 4.167% * 0.0161% (0.11 1.0 0.02 0.02) = 0.016% HA GLU- 56 - HN GLU- 107 4.167% * 0.0134% (0.09 1.0 0.02 0.02) = 0.013% HA ALA 42 - HN GLU- 107 4.167% * 0.0124% (0.09 1.0 0.02 0.02) = 0.012% HA LYS+ 110 - HN GLU- 107 4.167% * 0.0114% (0.08 1.0 0.02 0.02) = 0.011% HB3 SER 49 - HN GLU- 107 4.167% * 0.0105% (0.07 1.0 0.02 0.02) = 0.010% HA GLU- 75 - HN GLU- 107 4.167% * 0.0079% (0.06 1.0 0.02 0.02) = 0.008% HA LYS+ 44 - HN GLU- 107 4.167% * 0.0036% (0.03 1.0 0.02 0.02) = 0.004% Peak 1209 (4.38, 8.93, 124.84 ppm): 10 chemical-shift based assignments, quality = 0.359, support = 2.65, residual support = 14.9: O HA THR 95 - HN THR 96 10.000% * 89.9065% (0.33 10.0 2.89 16.50) = 89.907% kept HA LYS+ 60 - HN THR 96 10.000% * 6.9150% (0.79 1.0 0.64 0.23) = 6.915% kept HA LYS+ 117 - HN THR 96 10.000% * 1.6479% (0.45 1.0 0.27 0.02) = 1.648% kept HA SER 88 - HN THR 96 10.000% * 0.4658% (0.45 1.0 0.08 0.02) = 0.466% HA ALA 37 - HN THR 96 10.000% * 0.2187% (0.80 1.0 0.02 0.02) = 0.219% HA ASN 57 - HN THR 96 10.000% * 0.2182% (0.80 1.0 0.02 0.02) = 0.218% HA THR 38 - HN THR 96 10.000% * 0.2069% (0.76 1.0 0.02 0.02) = 0.207% HA TRP 51 - HN THR 96 10.000% * 0.1961% (0.72 1.0 0.02 0.02) = 0.196% HA2 GLY 26 - HN THR 96 10.000% * 0.1502% (0.55 1.0 0.02 0.02) = 0.150% HA1 GLY 26 - HN THR 96 10.000% * 0.0746% (0.27 1.0 0.02 0.02) = 0.075% Peak 1210 (8.76, 8.97, 124.78 ppm): 6 chemical-shift based assignments, quality = 0.241, support = 3.86, residual support = 12.7: T HN THR 95 - HN THR 96 16.667% * 76.2154% (0.18 10.00 4.65 16.50) = 76.215% kept HN VAL 62 - HN THR 96 16.667% * 12.7506% (0.43 1.00 1.43 0.71) = 12.751% kept HN PHE 34 - HN THR 96 16.667% * 10.8900% (0.44 1.00 1.18 0.41) = 10.890% kept HN ILE 101 - HN THR 96 16.667% * 0.0515% (0.12 1.00 0.02 0.02) = 0.052% HN GLU- 56 - HN THR 96 16.667% * 0.0462% (0.11 1.00 0.02 0.02) = 0.046% HN SER 69 - HN THR 96 16.667% * 0.0462% (0.11 1.00 0.02 0.02) = 0.046% Peak 1211 (4.69, 8.97, 124.78 ppm): 7 chemical-shift based assignments, quality = 0.404, support = 0.919, residual support = 1.68: HA THR 61 - HN THR 96 14.286% * 68.6395% (0.44 1.22 2.44) = 68.639% kept HA TYR 83 - HN THR 96 14.286% * 13.7071% (0.30 0.35 0.02) = 13.707% kept HA ASN 119 - HN THR 96 14.286% * 6.4473% (0.44 0.12 0.02) = 6.447% kept HA ASN 89 - HN THR 96 14.286% * 6.3231% (0.43 0.11 0.02) = 6.323% kept HA2 GLY 30 - HN THR 96 14.286% * 3.5957% (0.07 0.41 0.02) = 3.596% kept HA LYS+ 120 - HN THR 96 14.286% * 1.0368% (0.09 0.09 0.02) = 1.037% kept HA ASP- 36 - HN THR 96 14.286% * 0.2505% (0.10 0.02 0.02) = 0.250% Peak 1212 (1.88, 8.97, 124.78 ppm): 8 chemical-shift based assignments, quality = 0.396, support = 1.85, residual support = 4.9: HG2 GLU- 18 - HN THR 96 12.500% * 80.7129% (0.41 2.23 5.98) = 80.713% kept HB3 ARG+ 84 - HN THR 96 12.500% * 12.1712% (0.40 0.35 0.52) = 12.171% kept HG3 LYS+ 120 - HN THR 96 12.500% * 3.3688% (0.41 0.09 0.02) = 3.369% kept HB3 MET 118 - HN THR 96 12.500% * 1.7763% (0.22 0.09 0.02) = 1.776% kept HD3 LYS+ 63 - HN THR 96 12.500% * 0.8925% (0.08 0.13 0.02) = 0.892% HB3 CYS 123 - HN THR 96 12.500% * 0.5691% (0.32 0.02 0.02) = 0.569% HB3 GLU- 54 - HN THR 96 12.500% * 0.2673% (0.15 0.02 0.02) = 0.267% HB3 GLN 102 - HN THR 96 12.500% * 0.2419% (0.14 0.02 0.02) = 0.242% Peak 1213 (1.70, 8.97, 124.78 ppm): 2 chemical-shift based assignments, quality = 0.175, support = 0.0601, residual support = 0.02: HB ILE 48 - HN THR 96 50.000% * 71.2269% (0.15 0.08 0.02) = 71.227% kept HD3 LYS+ 55 - HN THR 96 50.000% * 28.7731% (0.23 0.02 0.02) = 28.773% kept Not enough support, support cutoff is 0.25 Peak unassigned. Peak 1214 (1.34, 8.97, 124.78 ppm): 7 chemical-shift based assignments, quality = 0.269, support = 2.12, residual support = 12.4: HG13 ILE 19 - HN THR 96 14.286% * 50.0399% (0.29 2.97 23.07) = 50.040% kept HB3 LYS+ 20 - HN THR 96 14.286% * 19.5527% (0.15 2.20 3.17) = 19.553% kept HG LEU 74 - HN THR 96 14.286% * 15.0438% (0.26 0.97 0.91) = 15.044% kept HB2 LEU 17 - HN THR 96 14.286% * 9.1020% (0.44 0.35 0.61) = 9.102% kept HG3 ARG+ 22 - HN THR 96 14.286% * 5.9564% (0.27 0.38 0.02) = 5.956% kept QB ALA 91 - HN THR 96 14.286% * 0.2141% (0.18 0.02 0.02) = 0.214% QB ALA 103 - HN THR 96 14.286% * 0.0912% (0.08 0.02 0.02) = 0.091% Peak 1215 (7.37, 6.64, 110.39 ppm): 1 chemical-shift based assignment, quality = 0.447, support = 1.0, residual support = 24.0: O T HE22 GLN 102 - HE21 GLN 102 100.000% *100.0000% (0.45 10.0 10.00 1.00 24.03) = 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 = 0.346, support = 1.02, residual support = 1.92: HG3 MET 126 - HE22 GLN 102 6.667% * 26.5597% (0.43 1.30 3.44) = 26.560% kept HG3 GLU- 109 - HE22 GLN 102 6.667% * 17.5322% (0.40 0.91 0.10) = 17.532% kept HG2 MET 126 - HE22 GLN 102 6.667% * 15.1892% (0.31 1.03 3.44) = 15.189% kept HG3 GLU- 54 - HE22 GLN 102 6.667% * 13.3378% (0.43 0.64 0.13) = 13.338% kept HB2 GLU- 50 - HE22 GLN 102 6.667% * 8.1568% (0.36 0.47 0.32) = 8.157% kept HB3 GLU- 75 - HE22 GLN 102 6.667% * 7.4981% (0.06 2.48 3.10) = 7.498% kept HG3 GLU- 75 - HE22 GLN 102 6.667% * 4.1390% (0.11 0.77 3.10) = 4.139% kept HG3 GLU- 18 - HE22 GLN 102 6.667% * 3.8998% (0.33 0.25 1.52) = 3.900% kept HG3 MET 118 - HE22 GLN 102 6.667% * 1.2837% (0.25 0.11 0.02) = 1.284% kept HB3 PRO 52 - HE22 GLN 102 6.667% * 1.2742% (0.20 0.13 0.02) = 1.274% kept HB2 LYS+ 113 - HE22 GLN 102 6.667% * 0.3740% (0.39 0.02 0.02) = 0.374% HG3 GLU- 107 - HE22 GLN 102 6.667% * 0.3295% (0.34 0.02 0.02) = 0.330% HB VAL 99 - HE22 GLN 102 6.667% * 0.1933% (0.20 0.02 0.02) = 0.193% HA1 GLY 58 - HE22 GLN 102 6.667% * 0.1473% (0.15 0.02 0.02) = 0.147% HB3 PRO 104 - HE22 GLN 102 6.667% * 0.0853% (0.09 0.02 0.02) = 0.085% Peak 1219 (2.07, 7.37, 110.39 ppm): 11 chemical-shift based assignments, quality = 0.372, support = 1.66, residual support = 1.76: HB3 GLU- 75 - HE22 GLN 102 9.091% * 38.9767% (0.42 2.48 3.10) = 38.977% kept HD3 LYS+ 110 - HE22 GLN 102 9.091% * 17.5308% (0.31 1.51 1.48) = 17.531% kept HG3 ARG+ 53 - HE22 GLN 102 9.091% * 16.4190% (0.42 1.05 0.52) = 16.419% kept HB2 LYS+ 110 - HE22 GLN 102 9.091% * 13.8109% (0.27 1.35 1.48) = 13.811% kept HB3 LYS+ 120 - HE22 GLN 102 9.091% * 9.5630% (0.44 0.58 0.02) = 9.563% kept HB VAL 125 - HE22 GLN 102 9.091% * 2.9552% (0.22 0.36 0.02) = 2.955% kept HB2 GLU- 45 - HE22 GLN 102 9.091% * 0.3540% (0.13 0.08 0.02) = 0.354% HB2 LEU 43 - HE22 GLN 102 9.091% * 0.1778% (0.24 0.02 0.02) = 0.178% HB VAL 87 - HE22 GLN 102 9.091% * 0.0842% (0.11 0.02 0.02) = 0.084% HB VAL 65 - HE22 GLN 102 9.091% * 0.0752% (0.10 0.02 0.02) = 0.075% HA1 GLY 58 - HE22 GLN 102 9.091% * 0.0532% (0.07 0.02 0.02) = 0.053% Peak 1220 (2.21, 6.64, 110.39 ppm): 15 chemical-shift based assignments, quality = 0.334, support = 0.952, residual support = 1.86: HG3 MET 126 - HE21 GLN 102 6.667% * 20.4557% (0.43 1.00 3.44) = 20.456% kept HG2 MET 126 - HE21 GLN 102 6.667% * 16.6371% (0.31 1.12 3.44) = 16.637% kept HG3 GLU- 54 - HE21 GLN 102 6.667% * 16.4547% (0.43 0.79 0.13) = 16.455% kept HG3 GLU- 109 - HE21 GLN 102 6.667% * 14.7143% (0.40 0.76 0.10) = 14.714% kept HB2 GLU- 50 - HE21 GLN 102 6.667% * 9.8350% (0.36 0.57 0.32) = 9.835% kept HG3 GLU- 75 - HE21 GLN 102 6.667% * 8.6806% (0.11 1.61 3.10) = 8.681% kept HB3 GLU- 75 - HE21 GLN 102 6.667% * 5.9195% (0.06 1.95 3.10) = 5.919% kept HG3 GLU- 18 - HE21 GLN 102 6.667% * 3.9230% (0.33 0.25 1.52) = 3.923% kept HG3 MET 118 - HE21 GLN 102 6.667% * 1.2913% (0.25 0.11 0.02) = 1.291% kept HB3 PRO 52 - HE21 GLN 102 6.667% * 0.9526% (0.20 0.10 0.02) = 0.953% HB2 LYS+ 113 - HE21 GLN 102 6.667% * 0.3762% (0.39 0.02 0.02) = 0.376% HG3 GLU- 107 - HE21 GLN 102 6.667% * 0.3315% (0.34 0.02 0.02) = 0.331% HB VAL 99 - HE21 GLN 102 6.667% * 0.1945% (0.20 0.02 0.02) = 0.194% HA1 GLY 58 - HE21 GLN 102 6.667% * 0.1482% (0.15 0.02 0.02) = 0.148% HB3 PRO 104 - HE21 GLN 102 6.667% * 0.0858% (0.09 0.02 0.02) = 0.086% Peak 1221 (2.07, 6.64, 110.39 ppm): 11 chemical-shift based assignments, quality = 0.366, support = 1.46, residual support = 1.62: HB3 GLU- 75 - HE21 GLN 102 9.091% * 32.2511% (0.42 1.95 3.10) = 32.251% kept HD3 LYS+ 110 - HE21 GLN 102 9.091% * 18.8790% (0.31 1.54 1.48) = 18.879% kept HG3 ARG+ 53 - HE21 GLN 102 9.091% * 18.8575% (0.41 1.15 0.52) = 18.857% kept HB2 LYS+ 110 - HE21 GLN 102 9.091% * 16.0649% (0.27 1.49 1.48) = 16.065% kept HB3 LYS+ 120 - HE21 GLN 102 9.091% * 11.9660% (0.44 0.69 0.02) = 11.966% kept HB VAL 125 - HE21 GLN 102 9.091% * 0.8449% (0.22 0.10 0.02) = 0.845% HB2 LEU 43 - HE21 GLN 102 9.091% * 0.8134% (0.24 0.09 0.02) = 0.813% HB2 GLU- 45 - HE21 GLN 102 9.091% * 0.0990% (0.12 0.02 0.02) = 0.099% HB VAL 87 - HE21 GLN 102 9.091% * 0.0888% (0.11 0.02 0.02) = 0.089% HB VAL 65 - HE21 GLN 102 9.091% * 0.0793% (0.10 0.02 0.02) = 0.079% HA1 GLY 58 - HE21 GLN 102 9.091% * 0.0561% (0.07 0.02 0.02) = 0.056% Peak 1222 (1.11, 6.64, 110.39 ppm): 7 chemical-shift based assignments, quality = 0.357, support = 1.44, residual support = 1.35: HG LEU 74 - HE21 GLN 102 14.286% * 58.7321% (0.45 1.89 1.82) = 58.732% kept HD3 LYS+ 111 - HE21 GLN 102 14.286% * 14.5659% (0.27 0.77 0.24) = 14.566% kept QB ALA 33 - HE21 GLN 102 14.286% * 14.5194% (0.22 0.96 1.51) = 14.519% kept HG3 LYS+ 32 - HE21 GLN 102 14.286% * 10.8182% (0.22 0.71 0.21) = 10.818% kept QG2 THR 96 - HE21 GLN 102 14.286% * 0.5887% (0.42 0.02 0.02) = 0.589% QG2 THR 61 - HE21 GLN 102 14.286% * 0.5198% (0.37 0.02 0.02) = 0.520% QG2 THR 79 - HE21 GLN 102 14.286% * 0.2559% (0.18 0.02 0.02) = 0.256% Peak 1223 (1.12, 7.37, 110.39 ppm): 7 chemical-shift based assignments, quality = 0.417, support = 1.57, residual support = 1.22: HG LEU 74 - HE22 GLN 102 14.286% * 49.1185% (0.45 2.37 1.82) = 49.118% kept QB ALA 33 - HE22 GLN 102 14.286% * 17.5673% (0.36 1.06 1.51) = 17.567% kept HD3 LYS+ 111 - HE22 GLN 102 14.286% * 16.7774% (0.40 0.90 0.24) = 16.777% kept HG3 LYS+ 32 - HE22 GLN 102 14.286% * 8.5796% (0.36 0.52 0.21) = 8.580% kept QG2 THR 96 - HE22 GLN 102 14.286% * 7.6659% (0.44 0.38 0.02) = 7.666% kept QG2 THR 61 - HE22 GLN 102 14.286% * 0.2186% (0.24 0.02 0.02) = 0.219% QG2 THR 79 - HE22 GLN 102 14.286% * 0.0728% (0.08 0.02 0.02) = 0.073% 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): 1 chemical-shift based assignment, quality = 0.443, support = 3.0, residual support = 23.1: QG2 ILE 19 - HN THR 96 100.000% *100.0000% (0.44 3.00 23.07) = 100.000% kept Peak 1230 (6.87, 6.87, 112.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1231 (7.64, 6.87, 112.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1232 (2.77, 6.87, 112.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1233 (0.83, 7.64, 112.96 ppm): 12 chemical-shift based assignments, quality = 0.66, support = 0.325, residual support = 1.15: HG2 LYS+ 113 - HD21 ASN 89 8.333% * 22.9706% (0.90 0.32 0.25) = 22.971% kept QD2 LEU 90 - HD21 ASN 89 8.333% * 22.1508% (0.49 0.57 4.70) = 22.151% kept HG3 LYS+ 113 - HD21 ASN 89 8.333% * 19.6069% (0.73 0.34 0.25) = 19.607% kept HG3 LYS+ 117 - HD21 ASN 89 8.333% * 9.7324% (0.53 0.23 0.02) = 9.732% kept HG2 LYS+ 117 - HD21 ASN 89 8.333% * 9.1375% (0.69 0.17 0.02) = 9.137% kept QD2 LEU 17 - HD21 ASN 89 8.333% * 7.3806% (0.61 0.15 0.02) = 7.381% kept HG LEU 74 - HD21 ASN 89 8.333% * 4.8926% (0.38 0.16 0.02) = 4.893% kept QD1 ILE 29 - HD21 ASN 89 8.333% * 1.5887% (1.00 0.02 0.02) = 1.589% kept QG1 VAL 94 - HD21 ASN 89 8.333% * 1.3299% (0.84 0.02 0.02) = 1.330% kept HB ILE 101 - HD21 ASN 89 8.333% * 0.5976% (0.38 0.02 0.02) = 0.598% QD2 LEU 67 - HD21 ASN 89 8.333% * 0.3970% (0.25 0.02 0.02) = 0.397% QB ALA 93 - HD21 ASN 89 8.333% * 0.2155% (0.14 0.02 0.02) = 0.215% Peak 1234 (0.83, 6.87, 112.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1235 (1.58, 8.60, 125.48 ppm): 10 chemical-shift based assignments, quality = 0.907, support = 4.03, residual support = 19.8: HB ILE 19 - HN LYS+ 20 10.000% * 91.3246% (0.92 4.40 21.67) = 91.325% kept HG3 LYS+ 60 - HN LYS+ 20 10.000% * 3.8935% (0.94 0.18 0.20) = 3.894% kept HD3 LYS+ 60 - HN LYS+ 20 10.000% * 3.4379% (0.83 0.18 0.20) = 3.438% kept HG LEU 17 - HN LYS+ 20 10.000% * 0.4031% (0.90 0.02 0.02) = 0.403% HB3 LYS+ 32 - HN LYS+ 20 10.000% * 0.3264% (0.73 0.02 0.02) = 0.326% HB3 LEU 90 - HN LYS+ 20 10.000% * 0.1848% (0.41 0.02 0.02) = 0.185% HG13 ILE 29 - HN LYS+ 20 10.000% * 0.1387% (0.31 0.02 0.13) = 0.139% HD3 LYS+ 32 - HN LYS+ 20 10.000% * 0.1121% (0.25 0.02 0.02) = 0.112% QG2 THR 24 - HN LYS+ 20 10.000% * 0.1001% (0.22 0.02 0.02) = 0.100% HB3 LEU 17 - HN LYS+ 20 10.000% * 0.0787% (0.17 0.02 0.02) = 0.079% Peaks: selected : 1135 with diagonal assignment : 121 without assignment possibility : 233 with one assignment possibility : 38 with multiple assignment possibilities : 743 with given assignment possibilities : 0 with unique volume contribution : 166 with multiple volume contributions : 615 eliminated by violation filter : 0 Peaks: selected : 1135 without assignment : 297 with assignment : 838 with unique assignment : 267 with multiple assignment : 571 with reference assignment : 702 with identical reference assignment : 247 with compatible reference assignment : 424 with incompatible reference assignment : 19 with additional reference assignment : 12 with additional assignment : 148 Atoms with eliminated volume contribution > 2.5: HB ILE 48 2.9 HN SER 77 3.0 HN ASN 89 6.9 HN THR 96 9.9 HN MET 97 3.0 HN LYS+ 110 3.0 HN LYS+ 113 4.0