- 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 = 0.321, support = 0.629, residual support = 0.906: HN ASN 57 - QD1 LEU 74 25.000% * 50.9693% (0.37 0.78 1.33) = 50.969% kept HN LYS+ 32 - QD1 LEU 74 25.000% * 22.1586% (0.35 0.35 0.11) = 22.159% kept HN LYS+ 60 - QD1 LEU 74 25.000% * 16.7471% (0.29 0.33 0.12) = 16.747% kept HN SER 69 - QD1 LEU 74 25.000% * 10.1250% (0.06 0.99 1.80) = 10.125% kept Peak 5 (8.60, 1.38, 22.40 ppm): 4 chemical-shift based assignments, quality = 0.526, support = 1.53, residual support = 2.78: HN THR 39 - QG2 THR 39 25.000% * 58.7217% (0.56 2.01 4.62) = 58.722% kept HN VAL 80 - QG2 THR 39 25.000% * 23.2467% (0.52 0.86 0.19) = 23.247% kept HN VAL 73 - QG2 THR 39 25.000% * 16.9986% (0.37 0.88 0.12) = 16.999% kept HN LYS+ 20 - QG2 THR 39 25.000% * 1.0329% (0.99 0.02 0.02) = 1.033% kept Peak 6 (8.47, -0.03, 22.34 ppm): 6 chemical-shift based assignments, quality = 0.273, support = 3.27, residual support = 44.1: HN LEU 74 - QD1 LEU 74 16.667% * 57.4912% (0.21 5.16 76.40) = 57.491% kept HN LYS+ 113 - QD1 LEU 74 16.667% * 18.7783% (0.36 0.99 0.39) = 18.778% kept HN GLY 92 - QD1 LEU 74 16.667% * 12.5928% (0.39 0.61 0.02) = 12.593% kept HN GLU- 18 - QD1 LEU 74 16.667% * 6.0341% (0.24 0.47 1.47) = 6.034% kept HN GLU- 107 - QD1 LEU 74 16.667% * 4.9295% (0.39 0.24 0.02) = 4.930% kept HN GLU- 10 - QD1 LEU 74 16.667% * 0.1742% (0.17 0.02 0.02) = 0.174% 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): 3 chemical-shift based assignments, quality = 0.274, support = 1.87, residual support = 10.4: QD TYR 83 - QD1 LEU 74 33.333% * 90.5275% (0.29 2.01 11.09) = 90.528% kept QE PHE 21 - QD1 LEU 74 33.333% * 8.7000% (0.09 0.62 4.65) = 8.700% kept HE21 GLN 16 - QD1 LEU 74 33.333% * 0.7725% (0.25 0.02 0.71) = 0.773% 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): 8 chemical-shift based assignments, quality = 0.152, support = 1.07, residual support = 1.06: HA ASN 89 - HB2 SER 49 12.500% * 74.7298% (0.16 1.29 1.39) = 74.730% kept HA ASN 89 - HB3 SER 77 12.500% * 16.7880% (0.07 0.62 0.12) = 16.788% kept HA MET 97 - HB2 SER 49 12.500% * 3.4012% (0.46 0.02 0.02) = 3.401% kept HA MET 97 - HB3 SER 77 12.500% * 1.5887% (0.22 0.02 0.02) = 1.589% kept HA GLU- 107 - HB2 SER 49 12.500% * 1.3983% (0.19 0.02 0.02) = 1.398% kept HA THR 95 - HB2 SER 49 12.500% * 0.9821% (0.13 0.02 0.02) = 0.982% HA GLU- 107 - HB3 SER 77 12.500% * 0.6531% (0.09 0.02 0.02) = 0.653% HA THR 95 - HB3 SER 77 12.500% * 0.4587% (0.06 0.02 0.02) = 0.459% Not enough quality. Peak unassigned. Peak 15 (4.83, 3.86, 63.83 ppm): 9 chemical-shift based assignments, quality = 0.116, support = 1.39, residual support = 6.86: HA ASN 89 - HB3 SER 88 11.111% * 64.7199% (0.05 2.05 10.57) = 64.720% kept HA ASN 89 - HA VAL 125 11.111% * 10.3318% (0.15 0.11 0.02) = 10.332% kept HA ASN 89 - HB3 SER 77 11.111% * 8.5137% (0.02 0.62 0.12) = 8.514% kept HA MET 97 - HA VAL 125 11.111% * 7.1242% (0.60 0.02 0.02) = 7.124% kept HA GLU- 107 - HA VAL 125 11.111% * 3.8239% (0.32 0.02 0.02) = 3.824% kept HA MET 97 - HB3 SER 88 11.111% * 2.4871% (0.21 0.02 0.02) = 2.487% kept HA GLU- 107 - HB3 SER 88 11.111% * 1.3350% (0.11 0.02 0.02) = 1.335% kept HA MET 97 - HB3 SER 77 11.111% * 1.0831% (0.09 0.02 0.02) = 1.083% kept HA GLU- 107 - HB3 SER 77 11.111% * 0.5813% (0.05 0.02 0.02) = 0.581% Peak 16 (4.79, 1.38, 22.41 ppm): 6 chemical-shift based assignments, quality = 0.863, support = 0.861, residual support = 0.583: HA PRO 116 - QG2 THR 39 16.667% * 57.9081% (0.93 1.03 0.90) = 57.908% kept HA ASP- 115 - QG2 THR 39 16.667% * 35.3428% (0.82 0.71 0.17) = 35.343% kept HA ASN 89 - QG2 THR 39 16.667% * 4.2034% (0.25 0.28 0.02) = 4.203% kept HA LYS+ 113 - QG2 THR 39 16.667% * 1.1850% (0.98 0.02 0.02) = 1.185% kept HA ASN 15 - QG2 THR 39 16.667% * 1.0963% (0.91 0.02 0.02) = 1.096% kept HA GLU- 107 - QG2 THR 39 16.667% * 0.2644% (0.22 0.02 0.02) = 0.264% 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): 20 chemical-shift based assignments, quality = 0.209, support = 1.43, residual support = 22.5: O HA LYS+ 78 - HG2 LYS+ 78 5.000% * 76.0269% (0.16 10.0 1.66 28.44) = 76.027% kept HA THR 79 - QG2 THR 39 5.000% * 5.9140% (0.28 1.0 0.74 0.22) = 5.914% kept HA ASN 89 - QG2 THR 39 5.000% * 4.5629% (0.57 1.0 0.28 0.02) = 4.563% kept HA VAL 73 - QG2 THR 39 5.000% * 3.7427% (0.30 1.0 0.44 0.12) = 3.743% kept HA LYS+ 78 - QG2 THR 39 5.000% * 3.4096% (0.96 1.0 0.12 0.02) = 3.410% kept HA THR 79 - HG2 LYS+ 78 5.000% * 3.0440% (0.05 1.0 2.31 21.93) = 3.044% kept HA SER 77 - HG2 LYS+ 78 5.000% * 1.3336% (0.03 1.0 1.42 11.93) = 1.334% kept HA ASN 89 - HG2 LYS+ 78 5.000% * 0.4233% (0.09 1.0 0.16 0.02) = 0.423% HA GLU- 10 - QG2 THR 39 5.000% * 0.3468% (0.60 1.0 0.02 0.02) = 0.347% HA LYS+ 55 - QG2 THR 39 5.000% * 0.3008% (0.52 1.0 0.02 0.02) = 0.301% HB THR 46 - QG2 THR 39 5.000% * 0.3008% (0.52 1.0 0.02 0.02) = 0.301% HA LEU 17 - QG2 THR 39 5.000% * 0.1765% (0.31 1.0 0.02 0.02) = 0.176% HA SER 77 - QG2 THR 39 5.000% * 0.1132% (0.20 1.0 0.02 0.02) = 0.113% HA CYS 123 - QG2 THR 39 5.000% * 0.0774% (0.13 1.0 0.02 0.02) = 0.077% HA GLU- 10 - HG2 LYS+ 78 5.000% * 0.0574% (0.10 1.0 0.02 0.02) = 0.057% HB THR 46 - HG2 LYS+ 78 5.000% * 0.0498% (0.09 1.0 0.02 0.02) = 0.050% HA LYS+ 55 - HG2 LYS+ 78 5.000% * 0.0498% (0.09 1.0 0.02 0.02) = 0.050% HA LEU 17 - HG2 LYS+ 78 5.000% * 0.0292% (0.05 1.0 0.02 0.02) = 0.029% HA VAL 73 - HG2 LYS+ 78 5.000% * 0.0284% (0.05 1.0 0.02 0.02) = 0.028% HA CYS 123 - HG2 LYS+ 78 5.000% * 0.0128% (0.02 1.0 0.02 0.02) = 0.013% 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): 56 chemical-shift based assignments, quality = 0.18, support = 0.941, residual support = 4.81: O HA SER 88 - HB3 SER 88 1.786% * 35.0509% (0.03 10.0 1.78 11.96) = 35.051% kept HA ASN 89 - HB2 SER 77 1.786% * 19.8642% (0.53 1.0 0.62 0.12) = 19.864% kept HA ASN 89 - HB3 SER 77 1.786% * 8.8756% (0.24 1.0 0.62 0.12) = 8.876% kept HA ASN 89 - HB3 SER 88 1.786% * 5.4730% (0.04 1.0 2.05 10.57) = 5.473% kept HA ALA 37 - HB3 SER 77 1.786% * 4.6231% (0.31 1.0 0.25 0.02) = 4.623% kept HA ASN 89 - HA VAL 125 1.786% * 3.7574% (0.54 1.0 0.11 0.02) = 3.757% kept HA2 GLY 26 - HB3 SER 88 1.786% * 1.5323% (0.04 1.0 0.64 0.02) = 1.532% kept HA THR 38 - HB3 SER 77 1.786% * 1.3830% (0.29 1.0 0.08 0.02) = 1.383% kept HA ALA 37 - HA VAL 125 1.786% * 0.8566% (0.71 1.0 0.02 0.02) = 0.857% HA ASN 57 - HA VAL 125 1.786% * 0.8547% (0.71 1.0 0.02 0.02) = 0.855% HA VAL 73 - HA VAL 125 1.786% * 0.8532% (0.71 1.0 0.02 0.02) = 0.853% HA LYS+ 60 - HA VAL 125 1.786% * 0.8491% (0.70 1.0 0.02 0.02) = 0.849% HA ALA 37 - HB2 SER 77 1.786% * 0.8355% (0.69 1.0 0.02 0.02) = 0.836% HA ASN 57 - HB2 SER 77 1.786% * 0.8337% (0.69 1.0 0.02 0.02) = 0.834% HA VAL 73 - HB2 SER 77 1.786% * 0.8322% (0.69 1.0 0.02 0.02) = 0.832% HA LYS+ 60 - HB2 SER 77 1.786% * 0.8281% (0.69 1.0 0.02 0.02) = 0.828% HA THR 38 - HA VAL 125 1.786% * 0.8103% (0.67 1.0 0.02 0.02) = 0.810% HA THR 38 - HB2 SER 77 1.786% * 0.7904% (0.65 1.0 0.02 0.02) = 0.790% HA TRP 51 - HA VAL 125 1.786% * 0.7683% (0.64 1.0 0.02 0.02) = 0.768% HA TRP 51 - HB2 SER 77 1.786% * 0.7493% (0.62 1.0 0.02 0.02) = 0.749% HB3 HIS+ 4 - HA VAL 125 1.786% * 0.6859% (0.57 1.0 0.02 0.02) = 0.686% HB3 HIS+ 4 - HB2 SER 77 1.786% * 0.6691% (0.55 1.0 0.02 0.34) = 0.669% HA2 GLY 26 - HA VAL 125 1.786% * 0.5884% (0.49 1.0 0.02 0.02) = 0.588% HA2 GLY 26 - HB2 SER 77 1.786% * 0.5739% (0.48 1.0 0.02 0.02) = 0.574% HA SER 88 - HA VAL 125 1.786% * 0.4850% (0.40 1.0 0.02 0.02) = 0.485% HA LYS+ 117 - HA VAL 125 1.786% * 0.4850% (0.40 1.0 0.02 0.02) = 0.485% HA SER 88 - HB2 SER 77 1.786% * 0.4730% (0.39 1.0 0.02 0.02) = 0.473% HA LYS+ 117 - HB2 SER 77 1.786% * 0.4730% (0.39 1.0 0.02 0.02) = 0.473% HA MET 1 - HA VAL 125 1.786% * 0.3841% (0.32 1.0 0.02 0.02) = 0.384% HA MET 1 - HB2 SER 77 1.786% * 0.3746% (0.31 1.0 0.02 0.02) = 0.375% HA ASN 57 - HB3 SER 77 1.786% * 0.3725% (0.31 1.0 0.02 0.02) = 0.373% HA VAL 73 - HB3 SER 77 1.786% * 0.3718% (0.31 1.0 0.02 0.02) = 0.372% HA LYS+ 60 - HB3 SER 77 1.786% * 0.3700% (0.31 1.0 0.02 0.02) = 0.370% HA TRP 51 - HB3 SER 77 1.786% * 0.3348% (0.28 1.0 0.02 0.02) = 0.335% HB3 HIS+ 4 - HB3 SER 77 1.786% * 0.2989% (0.25 1.0 0.02 0.34) = 0.299% HA1 GLY 26 - HA VAL 125 1.786% * 0.2922% (0.24 1.0 0.02 0.02) = 0.292% HA1 GLY 26 - HB2 SER 77 1.786% * 0.2850% (0.24 1.0 0.02 0.02) = 0.285% HA2 GLY 26 - HB3 SER 77 1.786% * 0.2564% (0.21 1.0 0.02 0.02) = 0.256% HA HIS+ 3 - HA VAL 125 1.786% * 0.2136% (0.18 1.0 0.02 0.02) = 0.214% HA LYS+ 117 - HB3 SER 77 1.786% * 0.2114% (0.18 1.0 0.02 0.02) = 0.211% HA SER 88 - HB3 SER 77 1.786% * 0.2114% (0.18 1.0 0.02 0.02) = 0.211% HA HIS+ 3 - HB2 SER 77 1.786% * 0.2083% (0.17 1.0 0.02 0.17) = 0.208% HA MET 1 - HB3 SER 77 1.786% * 0.1674% (0.14 1.0 0.02 0.02) = 0.167% HA1 GLY 26 - HB3 SER 77 1.786% * 0.1273% (0.11 1.0 0.02 0.02) = 0.127% HA HIS+ 3 - HB3 SER 77 1.786% * 0.0931% (0.08 1.0 0.02 0.17) = 0.093% HA ALA 37 - HB3 SER 88 1.786% * 0.0695% (0.06 1.0 0.02 0.02) = 0.070% HA ASN 57 - HB3 SER 88 1.786% * 0.0694% (0.06 1.0 0.02 0.02) = 0.069% HA VAL 73 - HB3 SER 88 1.786% * 0.0693% (0.06 1.0 0.02 0.02) = 0.069% HA LYS+ 60 - HB3 SER 88 1.786% * 0.0689% (0.06 1.0 0.02 0.02) = 0.069% HA THR 38 - HB3 SER 88 1.786% * 0.0658% (0.05 1.0 0.02 0.02) = 0.066% HA TRP 51 - HB3 SER 88 1.786% * 0.0624% (0.05 1.0 0.02 0.02) = 0.062% HB3 HIS+ 4 - HB3 SER 88 1.786% * 0.0557% (0.05 1.0 0.02 0.02) = 0.056% HA LYS+ 117 - HB3 SER 88 1.786% * 0.0394% (0.03 1.0 0.02 0.02) = 0.039% HA MET 1 - HB3 SER 88 1.786% * 0.0312% (0.03 1.0 0.02 0.02) = 0.031% HA1 GLY 26 - HB3 SER 88 1.786% * 0.0237% (0.02 1.0 0.02 0.02) = 0.024% HA HIS+ 3 - HB3 SER 88 1.786% * 0.0173% (0.01 1.0 0.02 0.02) = 0.017% 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): 14 chemical-shift based assignments, quality = 0.595, support = 1.13, residual support = 5.13: O HB THR 39 - QG2 THR 39 7.143% * 62.8066% (0.41 10.0 1.00 1.00 4.62) = 62.807% kept HB THR 38 - QG2 THR 39 7.143% * 26.7771% (0.99 1.0 1.00 1.77 7.52) = 26.777% kept HA ASN 89 - QG2 THR 39 7.143% * 4.2666% (0.99 1.0 1.00 0.28 0.02) = 4.267% kept T HA LYS+ 44 - QG2 THR 39 7.143% * 2.9563% (0.96 1.0 10.00 0.02 0.02) = 2.956% kept HB3 SER 77 - HG2 LYS+ 78 7.143% * 1.7749% (0.13 1.0 1.00 0.89 11.93) = 1.775% kept T HA LYS+ 44 - HG2 LYS+ 78 7.143% * 0.4954% (0.16 1.0 10.00 0.02 0.02) = 0.495% HA ASN 89 - HG2 LYS+ 78 7.143% * 0.4008% (0.17 1.0 1.00 0.16 0.02) = 0.401% HB3 SER 77 - QG2 THR 39 7.143% * 0.2370% (0.77 1.0 1.00 0.02 0.02) = 0.237% HB3 HIS+ 5 - QG2 THR 39 7.143% * 0.1147% (0.37 1.0 1.00 0.02 0.02) = 0.115% HB3 SER 85 - QG2 THR 39 7.143% * 0.0680% (0.22 1.0 1.00 0.02 0.02) = 0.068% HB THR 38 - HG2 LYS+ 78 7.143% * 0.0508% (0.17 1.0 1.00 0.02 0.02) = 0.051% HB THR 39 - HG2 LYS+ 78 7.143% * 0.0211% (0.07 1.0 1.00 0.02 0.02) = 0.021% HB3 HIS+ 5 - HG2 LYS+ 78 7.143% * 0.0192% (0.06 1.0 1.00 0.02 0.02) = 0.019% HB3 SER 85 - HG2 LYS+ 78 7.143% * 0.0114% (0.04 1.0 1.00 0.02 0.02) = 0.011% Peak 30 (3.95, -0.03, 22.35 ppm): 10 chemical-shift based assignments, quality = 0.274, support = 1.67, residual support = 28.5: HA LEU 74 - QD1 LEU 74 10.000% * 34.6326% (0.18 3.50 76.40) = 34.633% kept HA ASN 89 - QD1 LEU 74 10.000% * 13.9857% (0.39 0.65 2.30) = 13.986% kept HA VAL 122 - QD1 LEU 74 10.000% * 13.3654% (0.28 0.88 4.52) = 13.365% kept HA LYS+ 44 - QD1 LEU 74 10.000% * 13.3262% (0.38 0.63 3.69) = 13.326% kept HB3 CYS 121 - QD1 LEU 74 10.000% * 11.9444% (0.23 0.95 4.62) = 11.944% kept HA1 GLY 114 - QD1 LEU 74 10.000% * 9.6630% (0.40 0.44 0.02) = 9.663% kept HA ILE 48 - QD1 LEU 74 10.000% * 1.3469% (0.07 0.35 5.70) = 1.347% kept HA ALA 93 - QD1 LEU 74 10.000% * 1.1914% (0.24 0.09 0.02) = 1.191% kept HB3 SER 77 - QD1 LEU 74 10.000% * 0.3785% (0.34 0.02 0.02) = 0.379% HB THR 96 - QD1 LEU 74 10.000% * 0.1659% (0.15 0.02 0.43) = 0.166% 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 (0.24) 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): 20 chemical-shift based assignments, quality = 0.195, support = 1.16, residual support = 5.13: HA ASN 89 - HB3 SER 88 5.000% * 48.2395% (0.12 2.05 10.57) = 48.239% kept HA ASN 89 - HB2 SER 77 5.000% * 12.1821% (0.10 0.62 0.12) = 12.182% kept HA ASN 89 - HA VAL 125 5.000% * 11.7917% (0.52 0.11 0.02) = 11.792% kept HA ASN 89 - HB3 SER 77 5.000% * 11.6193% (0.10 0.62 0.12) = 11.619% kept HD2 PRO 104 - HB3 SER 88 5.000% * 4.0499% (0.15 0.14 0.02) = 4.050% kept HA ILE 48 - HA VAL 125 5.000% * 2.8302% (0.72 0.02 0.02) = 2.830% kept HD2 PRO 104 - HA VAL 125 5.000% * 2.6005% (0.66 0.02 0.02) = 2.601% kept HD2 PRO 31 - HA VAL 125 5.000% * 1.8842% (0.48 0.02 0.02) = 1.884% kept HA ILE 48 - HB3 SER 88 5.000% * 0.6453% (0.16 0.02 0.02) = 0.645% HD2 PRO 112 - HA VAL 125 5.000% * 0.6272% (0.16 0.02 0.02) = 0.627% HA ILE 48 - HB2 SER 77 5.000% * 0.5394% (0.14 0.02 0.02) = 0.539% HA ILE 48 - HB3 SER 77 5.000% * 0.5145% (0.13 0.02 0.02) = 0.515% HD2 PRO 104 - HB2 SER 77 5.000% * 0.4957% (0.13 0.02 0.02) = 0.496% HD2 PRO 104 - HB3 SER 77 5.000% * 0.4728% (0.12 0.02 0.02) = 0.473% HD2 PRO 31 - HB3 SER 88 5.000% * 0.4296% (0.11 0.02 0.02) = 0.430% HD2 PRO 31 - HB2 SER 77 5.000% * 0.3591% (0.09 0.02 0.02) = 0.359% HD2 PRO 31 - HB3 SER 77 5.000% * 0.3425% (0.09 0.02 0.02) = 0.343% HD2 PRO 112 - HB3 SER 88 5.000% * 0.1430% (0.04 0.02 0.02) = 0.143% HD2 PRO 112 - HB2 SER 77 5.000% * 0.1195% (0.03 0.02 0.02) = 0.120% HD2 PRO 112 - HB3 SER 77 5.000% * 0.1140% (0.03 0.02 0.02) = 0.114% 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): 2 chemical-shift based assignments, quality = 0.2, support = 0.544, residual support = 3.55: HA ASN 89 - QD1 LEU 74 50.000% * 63.3242% (0.20 0.65 2.30) = 63.324% kept HA ILE 48 - QD1 LEU 74 50.000% * 36.6758% (0.21 0.35 5.70) = 36.676% 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): 15 chemical-shift based assignments, quality = 0.522, support = 0.524, residual support = 0.482: HB VAL 80 - QG2 VAL 62 6.667% * 48.3910% (0.73 0.61 0.61) = 48.391% kept HG2 GLU- 56 - QG2 VAL 62 6.667% * 22.7814% (0.41 0.51 0.25) = 22.781% kept HA1 GLY 58 - QG2 VAL 62 6.667% * 19.0109% (0.36 0.48 0.66) = 19.011% kept HB VAL 80 - QG2 VAL 73 6.667% * 3.5908% (0.14 0.23 0.12) = 3.591% kept HA1 GLY 58 - QG2 VAL 99 6.667% * 2.7220% (0.05 0.49 0.02) = 2.722% kept HA1 GLY 58 - QG2 VAL 73 6.667% * 1.3431% (0.07 0.18 0.02) = 1.343% kept HG3 GLU- 10 - QG2 VAL 62 6.667% * 0.8246% (0.38 0.02 0.02) = 0.825% HG3 GLU- 75 - QG2 VAL 62 6.667% * 0.4095% (0.19 0.02 0.02) = 0.409% HB VAL 80 - QG2 VAL 99 6.667% * 0.2222% (0.10 0.02 0.02) = 0.222% HG2 GLU- 56 - QG2 VAL 73 6.667% * 0.1716% (0.08 0.02 0.02) = 0.172% HG3 GLU- 10 - QG2 VAL 73 6.667% * 0.1580% (0.07 0.02 0.02) = 0.158% HG2 GLU- 56 - QG2 VAL 99 6.667% * 0.1247% (0.06 0.02 0.02) = 0.125% HG3 GLU- 10 - QG2 VAL 99 6.667% * 0.1148% (0.05 0.02 0.02) = 0.115% HG3 GLU- 75 - QG2 VAL 73 6.667% * 0.0785% (0.04 0.02 0.02) = 0.078% HG3 GLU- 75 - QG2 VAL 99 6.667% * 0.0570% (0.03 0.02 0.02) = 0.057% 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): 9 chemical-shift based assignments, quality = 0.187, support = 0.636, residual support = 0.767: HB2 LYS+ 66 - QD1 LEU 74 11.111% * 42.6235% (0.21 0.96 1.22) = 42.623% kept HB3 ARG+ 84 - QD1 LEU 74 11.111% * 19.4611% (0.14 0.66 1.15) = 19.461% kept HB3 PRO 59 - QD1 LEU 74 11.111% * 11.7803% (0.15 0.37 0.02) = 11.780% kept HB3 LYS+ 72 - QD1 LEU 74 11.111% * 7.6551% (0.34 0.11 0.11) = 7.655% kept HB2 PRO 59 - QD1 LEU 74 11.111% * 7.1451% (0.09 0.37 0.02) = 7.145% kept HG3 LYS+ 120 - QD1 LEU 74 11.111% * 6.8882% (0.13 0.26 0.02) = 6.888% kept HG3 PRO 112 - QD1 LEU 74 11.111% * 2.6536% (0.15 0.08 0.02) = 2.654% kept HB2 PRO 104 - QD1 LEU 74 11.111% * 1.4829% (0.35 0.02 0.59) = 1.483% kept HB2 GLU- 10 - QD1 LEU 74 11.111% * 0.3102% (0.07 0.02 0.02) = 0.310% Not enough quality. Peak unassigned. Peak 50 (1.74, 0.95, 22.34 ppm): 18 chemical-shift based assignments, quality = 0.348, support = 0.347, residual support = 7.09: HB ILE 48 - QG2 VAL 62 5.556% * 68.9675% (0.33 0.49 10.27) = 68.967% kept HB3 GLU- 50 - QG2 VAL 62 5.556% * 6.2132% (0.73 0.02 0.02) = 6.213% kept HB VAL 94 - QG2 VAL 62 5.556% * 4.8120% (0.57 0.02 0.02) = 4.812% kept HB2 HIS+ 7 - QG2 VAL 62 5.556% * 4.5117% (0.53 0.02 0.02) = 4.512% kept HB2 ARG+ 84 - QG2 VAL 62 5.556% * 3.9136% (0.46 0.02 0.02) = 3.914% kept HB2 GLN 16 - QG2 VAL 73 5.556% * 1.9143% (0.04 0.12 0.02) = 1.914% kept HB2 GLN 16 - QG2 VAL 62 5.556% * 1.6561% (0.20 0.02 0.02) = 1.656% kept HB3 GLU- 50 - QG2 VAL 73 5.556% * 1.2326% (0.15 0.02 0.02) = 1.233% kept HB VAL 94 - QG2 VAL 73 5.556% * 0.9546% (0.11 0.02 1.98) = 0.955% HB3 GLU- 50 - QG2 VAL 99 5.556% * 0.9357% (0.11 0.02 0.02) = 0.936% HB2 HIS+ 7 - QG2 VAL 73 5.556% * 0.8950% (0.11 0.02 0.02) = 0.895% HB2 ARG+ 84 - QG2 VAL 73 5.556% * 0.7764% (0.09 0.02 0.02) = 0.776% HB VAL 94 - QG2 VAL 99 5.556% * 0.7247% (0.09 0.02 0.02) = 0.725% HB2 HIS+ 7 - QG2 VAL 99 5.556% * 0.6795% (0.08 0.02 0.02) = 0.679% HB2 ARG+ 84 - QG2 VAL 99 5.556% * 0.5894% (0.07 0.02 0.02) = 0.589% HB ILE 48 - QG2 VAL 73 5.556% * 0.5538% (0.07 0.02 0.36) = 0.554% HB ILE 48 - QG2 VAL 99 5.556% * 0.4205% (0.05 0.02 0.02) = 0.420% HB2 GLN 16 - QG2 VAL 99 5.556% * 0.2494% (0.03 0.02 0.98) = 0.249% Peak 51 (1.68, -0.03, 22.32 ppm): 6 chemical-shift based assignments, quality = 0.215, support = 1.11, residual support = 1.63: HB3 MET 126 - QD1 LEU 74 16.667% * 43.2918% (0.32 0.72 2.45) = 43.292% kept HG3 ARG+ 84 - QD1 LEU 74 16.667% * 42.4783% (0.14 1.66 1.15) = 42.478% kept HB3 MET 97 - QD1 LEU 74 16.667% * 10.8305% (0.07 0.83 0.68) = 10.831% kept HB VAL 99 - QD1 LEU 74 16.667% * 1.4445% (0.39 0.02 0.02) = 1.444% kept HD3 LYS+ 55 - QD1 LEU 74 16.667% * 1.4445% (0.39 0.02 0.02) = 1.444% kept HB2 HIS+ 8 - QD1 LEU 74 16.667% * 0.5105% (0.14 0.02 0.02) = 0.511% 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 = 3.65, residual support = 63.4: O HG LEU 74 - QD1 LEU 74 16.667% * 74.3874% (0.09 10.0 4.01 76.40) = 74.387% kept HB3 LEU 67 - QD1 LEU 74 16.667% * 25.0135% (0.23 1.0 2.67 26.34) = 25.014% kept QB ALA 70 - QD1 LEU 74 16.667% * 0.3084% (0.37 1.0 0.02 0.02) = 0.308% HD3 LYS+ 108 - QD1 LEU 74 16.667% * 0.1268% (0.15 1.0 0.02 0.02) = 0.127% HB2 LYS+ 72 - QD1 LEU 74 16.667% * 0.0952% (0.12 1.0 0.02 0.11) = 0.095% HG3 LYS+ 72 - QD1 LEU 74 16.667% * 0.0687% (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 = 0.819, support = 0.795, residual support = 3.27: HG LEU 74 - QG2 THR 39 10.000% * 62.3486% (0.99 0.93 0.54) = 62.349% kept QG2 THR 79 - QG2 THR 39 10.000% * 16.5585% (0.94 0.26 0.22) = 16.559% kept QG2 THR 79 - HG2 LYS+ 78 10.000% * 13.2301% (0.15 1.26 21.93) = 13.230% kept HG LEU 74 - HG2 LYS+ 78 10.000% * 2.8305% (0.16 0.26 0.02) = 2.831% kept QG2 THR 95 - QG2 THR 39 10.000% * 2.4073% (0.45 0.08 0.02) = 2.407% kept QG2 THR 61 - QG2 THR 39 10.000% * 1.2547% (0.92 0.02 0.02) = 1.255% kept QG2 THR 96 - QG2 THR 39 10.000% * 0.5588% (0.41 0.02 0.02) = 0.559% QG2 THR 95 - HG2 LYS+ 78 10.000% * 0.5142% (0.07 0.10 0.02) = 0.514% QG2 THR 61 - HG2 LYS+ 78 10.000% * 0.2056% (0.15 0.02 0.02) = 0.206% QG2 THR 96 - HG2 LYS+ 78 10.000% * 0.0916% (0.07 0.02 0.02) = 0.092% 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): 60 chemical-shift based assignments, quality = 0.369, support = 1.36, residual support = 4.64: HG LEU 74 - HA VAL 125 1.667% * 45.4879% (0.54 1.65 2.59) = 45.488% kept QG2 VAL 87 - HB3 SER 88 1.667% * 21.6781% (0.18 2.36 15.95) = 21.678% kept QG2 VAL 73 - HA VAL 125 1.667% * 6.5191% (0.86 0.15 0.02) = 6.519% kept HG13 ILE 68 - HB3 SER 88 1.667% * 5.7411% (0.19 0.60 0.02) = 5.741% kept HG LEU 74 - HB3 SER 88 1.667% * 4.3038% (0.15 0.56 0.02) = 4.304% kept QG2 VAL 105 - HB3 SER 88 1.667% * 3.3115% (0.14 0.46 0.02) = 3.312% kept QD1 LEU 67 - HB3 SER 88 1.667% * 2.5118% (0.17 0.29 0.02) = 2.512% kept QG1 VAL 47 - HB3 SER 88 1.667% * 2.2664% (0.15 0.30 0.02) = 2.266% kept QG2 VAL 99 - HA VAL 125 1.667% * 0.8603% (0.84 0.02 0.02) = 0.860% HG13 ILE 68 - HA VAL 125 1.667% * 0.6950% (0.68 0.02 0.02) = 0.695% QG2 VAL 87 - HA VAL 125 1.667% * 0.6604% (0.65 0.02 0.02) = 0.660% QD1 LEU 67 - HA VAL 125 1.667% * 0.6247% (0.61 0.02 0.02) = 0.625% QG1 VAL 47 - HA VAL 125 1.667% * 0.5516% (0.54 0.02 0.02) = 0.552% QG2 VAL 105 - HA VAL 125 1.667% * 0.5149% (0.50 0.02 0.02) = 0.515% QD1 LEU 17 - HA VAL 125 1.667% * 0.4427% (0.43 0.02 0.02) = 0.443% QG1 VAL 105 - HA VAL 125 1.667% * 0.4077% (0.40 0.02 0.02) = 0.408% QG2 VAL 73 - HB3 SER 88 1.667% * 0.2437% (0.24 0.02 0.02) = 0.244% QG2 VAL 99 - HB3 SER 88 1.667% * 0.2389% (0.23 0.02 0.02) = 0.239% QG1 VAL 80 - HA VAL 125 1.667% * 0.2025% (0.20 0.02 0.02) = 0.202% HG12 ILE 29 - HA VAL 125 1.667% * 0.1800% (0.18 0.02 0.02) = 0.180% QG2 VAL 62 - HA VAL 125 1.667% * 0.1593% (0.16 0.02 0.02) = 0.159% HG12 ILE 68 - HA VAL 125 1.667% * 0.1231% (0.12 0.02 0.02) = 0.123% QG2 ILE 29 - HA VAL 125 1.667% * 0.1231% (0.12 0.02 0.02) = 0.123% QD1 LEU 17 - HB3 SER 88 1.667% * 0.1229% (0.12 0.02 0.02) = 0.123% QG1 VAL 105 - HB3 SER 88 1.667% * 0.1132% (0.11 0.02 0.02) = 0.113% QG2 VAL 73 - HB3 SER 77 1.667% * 0.1108% (0.11 0.02 0.02) = 0.111% QG2 VAL 99 - HB3 SER 77 1.667% * 0.1086% (0.11 0.02 0.02) = 0.109% QG2 VAL 73 - HB2 SER 77 1.667% * 0.1029% (0.10 0.02 0.02) = 0.103% QG2 VAL 99 - HB2 SER 77 1.667% * 0.1009% (0.10 0.02 0.02) = 0.101% HG13 ILE 68 - HB3 SER 77 1.667% * 0.0877% (0.09 0.02 0.02) = 0.088% QG2 VAL 87 - HB3 SER 77 1.667% * 0.0833% (0.08 0.02 0.02) = 0.083% HG13 ILE 68 - HB2 SER 77 1.667% * 0.0815% (0.08 0.02 0.02) = 0.081% QD1 LEU 67 - HB3 SER 77 1.667% * 0.0788% (0.08 0.02 0.02) = 0.079% QG2 VAL 87 - HB2 SER 77 1.667% * 0.0774% (0.08 0.02 0.02) = 0.077% QD1 LEU 67 - HB2 SER 77 1.667% * 0.0732% (0.07 0.02 0.02) = 0.073% QG1 VAL 47 - HB3 SER 77 1.667% * 0.0696% (0.07 0.02 0.02) = 0.070% HG LEU 74 - HB3 SER 77 1.667% * 0.0694% (0.07 0.02 0.02) = 0.069% QG2 VAL 105 - HB3 SER 77 1.667% * 0.0650% (0.06 0.02 0.02) = 0.065% QG1 VAL 47 - HB2 SER 77 1.667% * 0.0647% (0.06 0.02 0.02) = 0.065% HG LEU 74 - HB2 SER 77 1.667% * 0.0645% (0.06 0.02 0.02) = 0.065% QG2 VAL 105 - HB2 SER 77 1.667% * 0.0604% (0.06 0.02 0.02) = 0.060% QG1 VAL 80 - HB3 SER 88 1.667% * 0.0562% (0.05 0.02 0.02) = 0.056% QD1 LEU 17 - HB3 SER 77 1.667% * 0.0559% (0.05 0.02 0.02) = 0.056% QD1 LEU 17 - HB2 SER 77 1.667% * 0.0519% (0.05 0.02 0.02) = 0.052% QG1 VAL 105 - HB3 SER 77 1.667% * 0.0515% (0.05 0.02 0.02) = 0.051% HG12 ILE 29 - HB3 SER 88 1.667% * 0.0500% (0.05 0.02 0.02) = 0.050% QG1 VAL 105 - HB2 SER 77 1.667% * 0.0478% (0.05 0.02 0.02) = 0.048% QG2 VAL 62 - HB3 SER 88 1.667% * 0.0442% (0.04 0.02 0.02) = 0.044% QG2 ILE 29 - HB3 SER 88 1.667% * 0.0342% (0.03 0.02 0.02) = 0.034% HG12 ILE 68 - HB3 SER 88 1.667% * 0.0342% (0.03 0.02 0.02) = 0.034% QG1 VAL 80 - HB3 SER 77 1.667% * 0.0256% (0.02 0.02 0.19) = 0.026% QG1 VAL 80 - HB2 SER 77 1.667% * 0.0237% (0.02 0.02 0.19) = 0.024% HG12 ILE 29 - HB3 SER 77 1.667% * 0.0227% (0.02 0.02 0.02) = 0.023% HG12 ILE 29 - HB2 SER 77 1.667% * 0.0211% (0.02 0.02 0.02) = 0.021% QG2 VAL 62 - HB3 SER 77 1.667% * 0.0201% (0.02 0.02 0.02) = 0.020% QG2 VAL 62 - HB2 SER 77 1.667% * 0.0187% (0.02 0.02 0.02) = 0.019% HG12 ILE 68 - HB3 SER 77 1.667% * 0.0155% (0.02 0.02 0.02) = 0.016% QG2 ILE 29 - HB3 SER 77 1.667% * 0.0155% (0.02 0.02 0.02) = 0.016% QG2 ILE 29 - HB2 SER 77 1.667% * 0.0144% (0.01 0.02 0.02) = 0.014% HG12 ILE 68 - HB2 SER 77 1.667% * 0.0144% (0.01 0.02 0.02) = 0.014% 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): 11 chemical-shift based assignments, quality = 0.151, support = 2.55, residual support = 38.6: O HG LEU 74 - QD1 LEU 74 9.091% * 45.6000% (0.06 10.0 4.01 76.40) = 45.600% kept QG2 ILE 48 - QD1 LEU 74 9.091% * 16.4598% (0.20 1.0 2.12 5.70) = 16.460% kept QD1 LEU 9 - QD1 LEU 74 9.091% * 11.0965% (0.31 1.0 0.90 1.30) = 11.096% kept QD1 ILE 68 - QD1 LEU 74 9.091% * 9.7220% (0.35 1.0 0.71 5.42) = 9.722% kept QG2 ILE 101 - QD1 LEU 74 9.091% * 9.5765% (0.16 1.0 1.55 12.00) = 9.576% kept HG LEU 67 - QD1 LEU 74 9.091% * 3.6045% (0.06 1.0 1.50 26.34) = 3.605% kept HG3 LYS+ 66 - QD1 LEU 74 9.091% * 2.4820% (0.27 1.0 0.24 1.22) = 2.482% kept HG2 PRO 59 - QD1 LEU 74 9.091% * 0.8667% (0.07 1.0 0.32 0.02) = 0.867% QD2 LEU 9 - QD1 LEU 74 9.091% * 0.2724% (0.35 1.0 0.02 1.30) = 0.272% QG2 VAL 40 - QD1 LEU 74 9.091% * 0.2653% (0.34 1.0 0.02 0.02) = 0.265% HB2 LEU 9 - QD1 LEU 74 9.091% * 0.0544% (0.07 1.0 0.02 1.30) = 0.054% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 79 (0.46, -0.03, 22.34 ppm): 3 chemical-shift based assignments, quality = 0.241, support = 3.42, residual support = 73.9: O T QD2 LEU 74 - QD1 LEU 74 33.333% * 96.4553% (0.24 10.0 10.00 3.53 76.40) = 96.455% kept QG2 ILE 68 - QD1 LEU 74 33.333% * 2.3042% (0.25 1.0 1.00 0.45 5.42) = 2.304% kept QD2 LEU 43 - QD1 LEU 74 33.333% * 1.2405% (0.30 1.0 1.00 0.20 5.32) = 1.240% 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 = 3.51, residual support = 29.7: HN VAL 62 - QG2 VAL 62 25.000% * 98.4841% (0.16 3.56 30.13) = 98.484% kept HN PHE 34 - QG2 VAL 62 25.000% * 0.6674% (0.19 0.02 0.02) = 0.667% HN THR 95 - QG2 VAL 62 25.000% * 0.4966% (0.14 0.02 0.02) = 0.497% HN SER 69 - QG2 VAL 62 25.000% * 0.3519% (0.10 0.02 0.02) = 0.352% Peak 93 (8.60, 1.10, 22.30 ppm): 5 chemical-shift based assignments, quality = 0.069, support = 1.35, residual support = 1.45: HN VAL 80 - QG2 THR 79 20.000% * 70.0332% (0.07 1.70 1.99) = 70.033% kept HN THR 39 - QG2 THR 79 20.000% * 27.0873% (0.07 0.60 0.22) = 27.087% kept HN LYS+ 20 - QG2 THR 79 20.000% * 1.9691% (0.16 0.02 0.02) = 1.969% kept HN VAL 73 - QG2 THR 79 20.000% * 0.5585% (0.04 0.02 0.02) = 0.559% HN SER 85 - QG2 THR 79 20.000% * 0.3518% (0.03 0.02 0.02) = 0.352% Not enough quality. Peak unassigned. Peak 94 (8.59, 0.95, 22.22 ppm): 12 chemical-shift based assignments, quality = 0.382, support = 1.33, residual support = 2.95: HN VAL 80 - QG2 VAL 62 8.333% * 51.7916% (0.53 1.08 0.61) = 51.792% kept HN VAL 73 - QG2 VAL 73 8.333% * 20.8394% (0.07 3.09 12.59) = 20.839% kept HN THR 39 - QG2 VAL 62 8.333% * 15.7570% (0.55 0.32 0.02) = 15.757% kept HN VAL 80 - QG2 VAL 73 8.333% * 7.9925% (0.09 0.98 0.12) = 7.993% kept HN LYS+ 20 - QG2 VAL 73 8.333% * 1.2563% (0.09 0.15 0.02) = 1.256% kept HN LYS+ 20 - QG2 VAL 62 8.333% * 0.9980% (0.55 0.02 0.02) = 0.998% HN VAL 73 - QG2 VAL 62 8.333% * 0.7903% (0.43 0.02 0.02) = 0.790% HN THR 39 - QG2 VAL 73 8.333% * 0.1702% (0.09 0.02 0.12) = 0.170% HN THR 39 - QG2 VAL 99 8.333% * 0.1078% (0.06 0.02 0.02) = 0.108% HN LYS+ 20 - QG2 VAL 99 8.333% * 0.1078% (0.06 0.02 0.02) = 0.108% HN VAL 80 - QG2 VAL 99 8.333% * 0.1038% (0.06 0.02 0.02) = 0.104% HN VAL 73 - QG2 VAL 99 8.333% * 0.0853% (0.05 0.02 0.02) = 0.085% Peak 95 (8.45, 4.27, 63.48 ppm): 10 chemical-shift based assignments, quality = 0.165, support = 0.116, residual support = 0.103: HN GLU- 18 - HA PRO 104 10.000% * 31.9293% (0.05 0.32 0.02) = 31.929% kept HN LEU 74 - HA PRO 104 10.000% * 14.6471% (0.33 0.02 0.59) = 14.647% kept HN LYS+ 113 - HA PRO 104 10.000% * 12.8188% (0.29 0.02 0.02) = 12.819% kept HN GLU- 107 - HA PRO 104 10.000% * 10.7310% (0.24 0.02 0.02) = 10.731% kept HN GLY 92 - HA PRO 104 10.000% * 7.1932% (0.16 0.02 0.02) = 7.193% kept HN ARG+ 53 - HA PRO 104 10.000% * 6.0754% (0.14 0.02 0.02) = 6.075% kept HN CYS 123 - HA PRO 104 10.000% * 5.5463% (0.13 0.02 0.02) = 5.546% kept HN GLU- 75 - HA PRO 104 10.000% * 5.5463% (0.13 0.02 0.02) = 5.546% kept HN HIS+ 14 - HA PRO 104 10.000% * 2.9245% (0.07 0.02 0.02) = 2.925% kept HN HIS+ 6 - HA PRO 104 10.000% * 2.5881% (0.06 0.02 0.02) = 2.588% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 96 (8.48, 0.93, 22.17 ppm): 21 chemical-shift based assignments, quality = 0.212, support = 0.841, residual support = 1.78: HN GLU- 18 - QG1 VAL 47 4.762% * 30.5692% (0.46 0.32 0.02) = 30.569% kept HN LEU 74 - QG2 VAL 73 4.762% * 16.8110% (0.02 3.32 10.26) = 16.811% kept HN GLY 92 - QG2 VAL 73 4.762% * 13.6877% (0.13 0.50 0.02) = 13.688% kept HN LYS+ 113 - QG2 VAL 73 4.762% * 10.1518% (0.07 0.69 0.24) = 10.152% kept HN HIS+ 4 - QG2 VAL 62 4.762% * 5.9815% (0.07 0.43 0.02) = 5.981% kept HN GLU- 18 - QG2 VAL 73 4.762% * 4.7804% (0.16 0.15 0.02) = 4.780% kept HN GLU- 107 - QG2 VAL 73 4.762% * 4.0773% (0.10 0.20 0.02) = 4.077% kept HN LEU 74 - QG1 VAL 47 4.762% * 1.9342% (0.07 0.13 0.86) = 1.934% kept HN GLU- 10 - QG1 VAL 47 4.762% * 1.6704% (0.41 0.02 0.02) = 1.670% kept HN GLY 92 - QG1 VAL 47 4.762% * 1.6084% (0.39 0.02 0.02) = 1.608% kept HN GLU- 18 - QG2 VAL 62 4.762% * 1.2145% (0.29 0.02 0.02) = 1.214% kept HN GLU- 107 - QG1 VAL 47 4.762% * 1.1680% (0.28 0.02 0.02) = 1.168% kept HN GLU- 10 - QG2 VAL 62 4.762% * 1.0748% (0.26 0.02 0.02) = 1.075% kept HN GLY 92 - QG2 VAL 62 4.762% * 1.0349% (0.25 0.02 0.02) = 1.035% kept HN LEU 74 - QG2 VAL 62 4.762% * 0.9209% (0.05 0.10 1.71) = 0.921% HN LYS+ 113 - QG1 VAL 47 4.762% * 0.8633% (0.21 0.02 0.02) = 0.863% HN GLU- 107 - QG2 VAL 62 4.762% * 0.7515% (0.18 0.02 0.02) = 0.752% HN GLU- 10 - QG2 VAL 73 4.762% * 0.5697% (0.14 0.02 0.02) = 0.570% HN LYS+ 113 - QG2 VAL 62 4.762% * 0.5555% (0.13 0.02 0.02) = 0.555% HN HIS+ 4 - QG1 VAL 47 4.762% * 0.4287% (0.10 0.02 0.02) = 0.429% HN HIS+ 4 - QG2 VAL 73 4.762% * 0.1462% (0.04 0.02 0.02) = 0.146% Peak 97 (8.26, 4.06, 63.54 ppm): 12 chemical-shift based assignments, quality = 0.0568, support = 4.46, residual support = 14.6: O HN SER 49 - HB2 SER 49 8.333% * 87.0233% (0.05 10.0 5.08 16.73) = 87.023% kept HN LEU 67 - HB2 SER 49 8.333% * 3.8923% (0.10 1.0 0.47 0.02) = 3.892% kept HN GLY 58 - HB2 SER 49 8.333% * 2.9058% (0.08 1.0 0.45 0.02) = 2.906% kept HN THR 106 - HB2 SER 49 8.333% * 2.1951% (0.18 1.0 0.14 0.02) = 2.195% kept HN LYS+ 81 - HB2 SER 49 8.333% * 1.6085% (0.10 1.0 0.20 0.02) = 1.609% kept HN GLU- 12 - HB2 SER 49 8.333% * 0.8191% (0.12 1.0 0.08 0.02) = 0.819% HN MET 118 - HB2 SER 49 8.333% * 0.5723% (0.09 1.0 0.08 0.02) = 0.572% HN ASP- 115 - HB2 SER 49 8.333% * 0.3130% (0.19 1.0 0.02 0.02) = 0.313% HN GLN 16 - HB2 SER 49 8.333% * 0.2715% (0.16 1.0 0.02 0.02) = 0.271% HN HIS+ 7 - HB2 SER 49 8.333% * 0.2392% (0.14 1.0 0.02 0.02) = 0.239% HN ASN 89 - HB2 SER 49 8.333% * 0.1175% (0.07 1.0 0.02 1.39) = 0.117% HN HIS+ 8 - HB2 SER 49 8.333% * 0.0424% (0.03 1.0 0.02 0.02) = 0.042% 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): 13 chemical-shift based assignments, quality = 0.201, support = 0.952, residual support = 0.408: HN LYS+ 81 - QG2 VAL 62 7.692% * 32.5178% (0.21 1.21 0.33) = 32.518% kept HN SER 49 - QG2 VAL 62 7.692% * 29.1265% (0.25 0.91 0.13) = 29.127% kept HN GLY 58 - QG2 VAL 62 7.692% * 20.2426% (0.23 0.68 0.66) = 20.243% kept HN GLU- 45 - QG2 VAL 62 7.692% * 14.8952% (0.11 1.03 0.84) = 14.895% kept HN MET 118 - QG2 VAL 62 7.692% * 0.5578% (0.21 0.02 0.02) = 0.558% HN LEU 67 - QG2 VAL 62 7.692% * 0.5371% (0.21 0.02 0.02) = 0.537% HN VAL 94 - QG2 VAL 62 7.692% * 0.4670% (0.18 0.02 0.02) = 0.467% HN GLU- 12 - QG2 VAL 62 7.692% * 0.4670% (0.18 0.02 0.02) = 0.467% HN VAL 105 - QG2 VAL 62 7.692% * 0.4417% (0.17 0.02 0.02) = 0.442% HN ALA 11 - QG2 VAL 62 7.692% * 0.3383% (0.13 0.02 0.02) = 0.338% HN THR 106 - QG2 VAL 62 7.692% * 0.1788% (0.07 0.02 0.02) = 0.179% HN ASP- 115 - QG2 VAL 62 7.692% * 0.1432% (0.06 0.02 0.02) = 0.143% HN LYS+ 117 - QG2 VAL 62 7.692% * 0.0870% (0.03 0.02 0.02) = 0.087% Peak 100 (7.85, 0.96, 22.06 ppm): 3 chemical-shift based assignments, quality = 0.0703, support = 3.25, residual support = 13.9: HN LYS+ 63 - QG2 VAL 62 33.333% * 82.3925% (0.06 3.87 16.85) = 82.393% kept HD22 ASN 89 - QG2 VAL 62 33.333% * 16.8505% (0.14 0.34 0.02) = 16.850% kept HN THR 38 - QG2 VAL 62 33.333% * 0.7570% (0.10 0.02 0.02) = 0.757% Peak 101 (7.51, 0.89, 22.14 ppm): 4 chemical-shift based assignments, quality = 0.528, support = 1.4, residual support = 2.59: HE3 TRP 51 - QG1 VAL 47 25.000% * 70.2620% (0.65 1.56 2.88) = 70.262% kept HE3 TRP 51 - QG2 VAL 47 25.000% * 19.4167% (0.20 1.42 2.88) = 19.417% kept HN ASP- 82 - QG1 VAL 47 25.000% * 6.4614% (0.42 0.22 0.02) = 6.461% kept HN ASP- 82 - QG2 VAL 47 25.000% * 3.8599% (0.13 0.43 0.02) = 3.860% kept Peak 102 (7.33, 0.90, 22.16 ppm): 18 chemical-shift based assignments, quality = 0.649, support = 2.41, residual support = 19.8: HN VAL 47 - QG1 VAL 47 5.556% * 39.1406% (0.68 3.88 36.12) = 39.141% kept HN VAL 47 - QG2 VAL 47 5.556% * 14.6302% (0.24 4.16 36.12) = 14.630% kept HZ2 TRP 51 - QG1 VAL 47 5.556% * 10.7177% (0.93 0.78 2.88) = 10.718% kept QD PHE 34 - QG1 VAL 47 5.556% * 7.9840% (0.75 0.72 0.02) = 7.984% kept QE PHE 34 - QG1 VAL 47 5.556% * 7.0300% (0.93 0.51 0.02) = 7.030% kept HZ PHE 34 - QG1 VAL 47 5.556% * 6.3475% (0.93 0.46 0.02) = 6.347% kept HN ARG+ 84 - QG1 VAL 47 5.556% * 6.2760% (0.65 0.66 0.02) = 6.276% kept HZ2 TRP 51 - QG2 VAL 47 5.556% * 2.3342% (0.32 0.49 2.88) = 2.334% kept QD PHE 34 - QG2 VAL 47 5.556% * 2.2029% (0.26 0.57 0.02) = 2.203% kept HZ PHE 34 - QG2 VAL 47 5.556% * 1.5801% (0.32 0.33 0.02) = 1.580% kept HN ARG+ 84 - QG2 VAL 47 5.556% * 1.5461% (0.22 0.46 0.02) = 1.546% kept QE PHE 34 - QG2 VAL 47 5.556% * 0.0960% (0.32 0.02 0.02) = 0.096% HZ2 TRP 51 - QG2 VAL 73 5.556% * 0.0219% (0.07 0.02 0.02) = 0.022% QE PHE 34 - QG2 VAL 73 5.556% * 0.0219% (0.07 0.02 0.02) = 0.022% HZ PHE 34 - QG2 VAL 73 5.556% * 0.0219% (0.07 0.02 0.02) = 0.022% QD PHE 34 - QG2 VAL 73 5.556% * 0.0177% (0.06 0.02 0.02) = 0.018% HN VAL 47 - QG2 VAL 73 5.556% * 0.0161% (0.05 0.02 0.02) = 0.016% HN ARG+ 84 - QG2 VAL 73 5.556% * 0.0152% (0.05 0.02 0.02) = 0.015% Peak 103 (6.74, 0.89, 22.15 ppm): 6 chemical-shift based assignments, quality = 0.696, support = 0.996, residual support = 1.54: QE TYR 83 - QG1 VAL 47 16.667% * 41.7716% (0.89 0.99 0.19) = 41.772% kept HZ3 TRP 51 - QG1 VAL 47 16.667% * 27.6033% (0.85 0.69 2.88) = 27.603% kept HZ3 TRP 51 - QG2 VAL 47 16.667% * 22.7353% (0.31 1.57 2.88) = 22.735% kept QE TYR 83 - QG2 VAL 47 16.667% * 6.1465% (0.32 0.41 0.19) = 6.147% kept QE TYR 83 - QG2 VAL 73 16.667% * 1.6898% (0.06 0.61 0.02) = 1.690% kept HZ3 TRP 51 - QG2 VAL 73 16.667% * 0.0534% (0.06 0.02 0.02) = 0.053% 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): 10 chemical-shift based assignments, quality = 0.193, support = 0.688, residual support = 2.91: HA LYS+ 72 - QG2 VAL 62 10.000% * 31.6051% (0.29 0.30 1.81) = 31.605% kept HA ASN 89 - QG2 VAL 62 10.000% * 30.5271% (0.21 0.41 0.02) = 30.527% kept HA LYS+ 72 - QG2 VAL 73 10.000% * 24.6477% (0.04 1.76 9.25) = 24.648% kept HA ASN 89 - QG2 VAL 73 10.000% * 5.3897% (0.03 0.54 0.02) = 5.390% kept HA LEU 9 - QG2 VAL 62 10.000% * 3.0138% (0.42 0.02 1.52) = 3.014% kept HA ASP- 25 - QG2 VAL 62 10.000% * 2.8573% (0.40 0.02 0.02) = 2.857% kept HA HIS+ 6 - QG2 VAL 62 10.000% * 1.0303% (0.14 0.02 0.02) = 1.030% kept HA LEU 9 - QG2 VAL 73 10.000% * 0.4057% (0.06 0.02 0.02) = 0.406% HA ASP- 25 - QG2 VAL 73 10.000% * 0.3846% (0.05 0.02 0.02) = 0.385% HA HIS+ 6 - QG2 VAL 73 10.000% * 0.1387% (0.02 0.02 0.02) = 0.139% Not enough quality. Peak unassigned. Peak 107 (4.51, 4.09, 63.63 ppm): 18 chemical-shift based assignments, quality = 0.0465, support = 0.998, residual support = 3.12: O HA SER 77 - HB3 SER 77 5.556% * 53.5071% (0.02 10.0 1.00 4.30) = 53.507% kept HA ASN 89 - HB2 SER 49 5.556% * 27.7341% (0.10 1.0 1.29 1.39) = 27.734% kept HA VAL 73 - HB2 SER 49 5.556% * 5.8797% (0.06 1.0 0.44 0.02) = 5.880% kept HA LYS+ 78 - HB3 SER 77 5.556% * 3.5456% (0.02 1.0 0.94 11.93) = 3.546% kept HA ASN 76 - HB3 SER 77 5.556% * 2.9235% (0.01 1.0 1.00 0.36) = 2.924% kept HA ASN 89 - HB3 SER 77 5.556% * 2.8401% (0.02 1.0 0.62 0.12) = 2.840% kept HA LYS+ 55 - HB2 SER 49 5.556% * 0.7172% (0.17 1.0 0.02 0.02) = 0.717% HB THR 46 - HB2 SER 49 5.556% * 0.7172% (0.17 1.0 0.02 0.02) = 0.717% HA SER 77 - HB2 SER 49 5.556% * 0.5026% (0.12 1.0 0.02 0.02) = 0.503% HA CYS 123 - HB2 SER 49 5.556% * 0.4142% (0.10 1.0 0.02 0.02) = 0.414% HA LYS+ 78 - HB2 SER 49 5.556% * 0.3561% (0.08 1.0 0.02 0.02) = 0.356% HA ASN 76 - HB2 SER 49 5.556% * 0.2746% (0.06 1.0 0.02 0.02) = 0.275% HB THR 46 - HB3 SER 77 5.556% * 0.1527% (0.04 1.0 0.02 0.02) = 0.153% HA LYS+ 55 - HB3 SER 77 5.556% * 0.1527% (0.04 1.0 0.02 0.02) = 0.153% HA GLU- 10 - HB2 SER 49 5.556% * 0.1129% (0.03 1.0 0.02 0.02) = 0.113% HA CYS 123 - HB3 SER 77 5.556% * 0.0882% (0.02 1.0 0.02 0.02) = 0.088% HA VAL 73 - HB3 SER 77 5.556% * 0.0574% (0.01 1.0 0.02 0.02) = 0.057% HA GLU- 10 - HB3 SER 77 5.556% * 0.0240% (0.01 1.0 0.02 0.02) = 0.024% Not enough quality. Peak unassigned. Peak 108 (4.51, 1.10, 22.26 ppm): 9 chemical-shift based assignments, quality = 0.115, support = 1.01, residual support = 13.9: HA LYS+ 78 - QG2 THR 79 11.111% * 63.2395% (0.11 1.47 21.93) = 63.239% kept HA SER 77 - QG2 THR 79 11.111% * 13.6200% (0.14 0.26 0.02) = 13.620% kept HA CYS 123 - QG2 THR 79 11.111% * 10.9449% (0.11 0.25 0.02) = 10.945% kept HA ASN 76 - QG2 THR 79 11.111% * 7.2010% (0.07 0.26 0.02) = 7.201% kept HB THR 46 - QG2 THR 79 11.111% * 1.5773% (0.21 0.02 0.02) = 1.577% kept HA LYS+ 55 - QG2 THR 79 11.111% * 1.5773% (0.21 0.02 0.02) = 1.577% kept HA ASN 89 - QG2 THR 79 11.111% * 0.9598% (0.13 0.02 0.02) = 0.960% HA VAL 73 - QG2 THR 79 11.111% * 0.5939% (0.08 0.02 0.02) = 0.594% HA GLU- 10 - QG2 THR 79 11.111% * 0.2862% (0.04 0.02 0.02) = 0.286% 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): 38 chemical-shift based assignments, quality = 0.517, support = 0.672, residual support = 0.66: HD3 PRO 59 - QD1 LEU 9 2.632% * 25.1408% (0.46 1.12 0.51) = 25.141% kept HA PRO 59 - QD1 LEU 9 2.632% * 23.4716% (0.67 0.72 0.51) = 23.472% kept HA GLU- 75 - QD1 LEU 9 2.632% * 12.9994% (0.81 0.33 0.02) = 12.999% kept HA HIS+ 8 - QD1 LEU 9 2.632% * 8.6140% (0.36 0.49 2.22) = 8.614% kept HA VAL 73 - QD1 LEU 9 2.632% * 7.6520% (0.48 0.33 0.02) = 7.652% kept HA VAL 65 - QD1 LEU 9 2.632% * 6.1734% (0.53 0.24 0.02) = 6.173% kept HA GLU- 56 - QD1 LEU 9 2.632% * 3.9346% (0.88 0.09 0.02) = 3.935% kept HA ASN 89 - QG2 VAL 94 2.632% * 2.7736% (0.03 2.02 6.57) = 2.774% kept HA VAL 73 - QG2 VAL 94 2.632% * 1.7182% (0.02 2.08 1.98) = 1.718% kept HA2 GLY 114 - QD1 LEU 9 2.632% * 0.8356% (0.86 0.02 0.02) = 0.836% HA HIS+ 4 - QD1 LEU 9 2.632% * 0.7869% (0.81 0.02 0.02) = 0.787% HA ASN 89 - QD1 LEU 9 2.632% * 0.7688% (0.79 0.02 0.02) = 0.769% HA LYS+ 108 - QD1 LEU 9 2.632% * 0.6826% (0.71 0.02 0.02) = 0.683% HA ARG+ 84 - QG2 VAL 94 2.632% * 0.5650% (0.02 0.57 0.02) = 0.565% HA ARG+ 84 - QD1 LEU 9 2.632% * 0.5515% (0.57 0.02 0.02) = 0.551% HA SER 85 - QG2 VAL 94 2.632% * 0.5324% (0.02 0.66 0.52) = 0.532% HA PRO 52 - QD1 LEU 9 2.632% * 0.4485% (0.46 0.02 0.02) = 0.448% HA SER 85 - QD1 LEU 9 2.632% * 0.4485% (0.46 0.02 0.02) = 0.448% HA ALA 91 - QD1 LEU 9 2.632% * 0.4149% (0.43 0.02 0.02) = 0.415% HA LYS+ 108 - QG2 VAL 94 2.632% * 0.3759% (0.03 0.31 0.14) = 0.376% HA GLU- 54 - QD1 LEU 9 2.632% * 0.2631% (0.27 0.02 0.02) = 0.263% HA SER 49 - QD1 LEU 9 2.632% * 0.2126% (0.22 0.02 0.02) = 0.213% HA GLU- 18 - QD1 LEU 9 2.632% * 0.1898% (0.20 0.02 0.02) = 0.190% HA THR 106 - QD1 LEU 9 2.632% * 0.1154% (0.12 0.02 0.02) = 0.115% HA GLU- 18 - QG2 VAL 94 2.632% * 0.0555% (0.01 0.16 0.02) = 0.056% HA THR 106 - QG2 VAL 94 2.632% * 0.0408% (0.00 0.20 0.02) = 0.041% HA GLU- 56 - QG2 VAL 94 2.632% * 0.0305% (0.03 0.02 0.02) = 0.030% HA2 GLY 114 - QG2 VAL 94 2.632% * 0.0299% (0.03 0.02 0.02) = 0.030% HA GLU- 75 - QG2 VAL 94 2.632% * 0.0281% (0.03 0.02 0.02) = 0.028% HA HIS+ 4 - QG2 VAL 94 2.632% * 0.0281% (0.03 0.02 0.02) = 0.028% HA PRO 59 - QG2 VAL 94 2.632% * 0.0233% (0.02 0.02 0.85) = 0.023% HA VAL 65 - QG2 VAL 94 2.632% * 0.0185% (0.02 0.02 0.02) = 0.018% HD3 PRO 59 - QG2 VAL 94 2.632% * 0.0160% (0.02 0.02 0.85) = 0.016% HA PRO 52 - QG2 VAL 94 2.632% * 0.0160% (0.02 0.02 0.02) = 0.016% HA ALA 91 - QG2 VAL 94 2.632% * 0.0148% (0.02 0.02 0.02) = 0.015% HA HIS+ 8 - QG2 VAL 94 2.632% * 0.0125% (0.01 0.02 0.02) = 0.013% HA GLU- 54 - QG2 VAL 94 2.632% * 0.0094% (0.01 0.02 0.02) = 0.009% HA SER 49 - QG2 VAL 94 2.632% * 0.0076% (0.01 0.02 0.02) = 0.008% Peak 112 (4.18, 0.93, 22.12 ppm): 14 chemical-shift based assignments, quality = 0.121, support = 0.436, residual support = 0.42: T HA LYS+ 44 - QG2 VAL 62 7.143% * 48.2003% (0.09 10.00 0.59 0.85) = 48.200% kept T HA VAL 73 - QG2 VAL 62 7.143% * 14.0352% (0.05 10.00 0.30 0.02) = 14.035% kept HA ASN 89 - QG2 VAL 62 7.143% * 10.3260% (0.29 1.00 0.41 0.02) = 10.326% kept HA ASN 89 - QG1 VAL 47 7.143% * 8.8712% (0.25 1.00 0.41 0.02) = 8.871% kept T HA VAL 73 - QG1 VAL 47 7.143% * 6.1760% (0.05 10.00 0.16 0.02) = 6.176% kept HA ASP- 82 - QG1 VAL 47 7.143% * 3.9282% (0.10 1.00 0.47 0.02) = 3.928% kept T HA GLU- 64 - QG1 VAL 47 7.143% * 2.8997% (0.17 10.00 0.02 0.02) = 2.900% kept HA GLU- 64 - QG2 VAL 62 7.143% * 2.2062% (0.19 1.00 0.13 0.02) = 2.206% kept T HA LYS+ 44 - QG1 VAL 47 7.143% * 1.4173% (0.08 10.00 0.02 0.02) = 1.417% kept T HA GLU- 109 - QG1 VAL 47 7.143% * 0.7850% (0.04 10.00 0.02 0.02) = 0.785% HA MET 126 - QG2 VAL 62 7.143% * 0.4666% (0.27 1.00 0.02 0.02) = 0.467% HA MET 126 - QG1 VAL 47 7.143% * 0.4020% (0.23 1.00 0.02 0.02) = 0.402% HA ASP- 82 - QG2 VAL 62 7.143% * 0.1953% (0.11 1.00 0.02 0.02) = 0.195% HA GLU- 109 - QG2 VAL 62 7.143% * 0.0911% (0.05 1.00 0.02 0.02) = 0.091% Not enough quality. Peak unassigned. Peak 116 (3.84, 0.95, 22.05 ppm): 9 chemical-shift based assignments, quality = 0.103, support = 0.591, residual support = 1.88: T HA LYS+ 44 - QG2 VAL 62 11.111% * 75.7522% (0.10 10.00 0.59 0.85) = 75.752% kept HA ILE 48 - QG2 VAL 62 11.111% * 11.9609% (0.10 1.00 0.92 10.27) = 11.961% kept HA ASN 89 - QG2 VAL 62 11.111% * 8.8780% (0.16 1.00 0.41 0.02) = 8.878% kept T HB3 SER 88 - QG2 VAL 62 11.111% * 1.9915% (0.08 10.00 0.02 0.02) = 1.992% kept HD3 PRO 86 - QG2 VAL 62 11.111% * 0.4046% (0.15 1.00 0.02 0.02) = 0.405% HA VAL 13 - QG2 VAL 62 11.111% * 0.3702% (0.14 1.00 0.02 0.02) = 0.370% HA2 GLY 92 - QG2 VAL 62 11.111% * 0.2938% (0.11 1.00 0.02 0.02) = 0.294% HD3 PRO 116 - QG2 VAL 62 11.111% * 0.1992% (0.08 1.00 0.02 0.02) = 0.199% HA VAL 87 - QG2 VAL 62 11.111% * 0.1495% (0.06 1.00 0.02 0.02) = 0.150% Not enough quality. Peak unassigned. Peak 119 (3.72, -0.04, 22.26 ppm): 5 chemical-shift based assignments, quality = 0.288, support = 0.892, residual support = 4.17: HA LEU 43 - QD1 LEU 74 20.000% * 40.8881% (0.20 1.44 5.32) = 40.888% kept HA ASN 89 - QD1 LEU 74 20.000% * 30.9220% (0.34 0.65 2.30) = 30.922% kept HA ILE 48 - QD1 LEU 74 20.000% * 21.9028% (0.44 0.35 5.70) = 21.903% kept HD3 PRO 104 - QD1 LEU 74 20.000% * 5.5174% (0.09 0.44 0.59) = 5.517% kept HB2 HIS+ 4 - QD1 LEU 74 20.000% * 0.7697% (0.27 0.02 0.02) = 0.770% 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): 9 chemical-shift based assignments, quality = 0.208, support = 2.22, residual support = 27.9: O T HA VAL 62 - QG2 VAL 62 11.111% * 92.5457% (0.21 10.0 10.00 2.33 30.13) = 92.546% kept HA VAL 80 - QG2 VAL 62 11.111% * 5.4949% (0.20 1.0 1.00 1.30 0.61) = 5.495% kept HA ILE 48 - QG2 VAL 62 11.111% * 0.9469% (0.05 1.0 1.00 0.92 10.27) = 0.947% HA ASN 89 - QG2 VAL 62 11.111% * 0.7728% (0.09 1.0 1.00 0.41 0.02) = 0.773% HB THR 79 - QG2 VAL 62 11.111% * 0.0633% (0.15 1.0 1.00 0.02 0.02) = 0.063% HB2 SER 69 - QG2 VAL 62 11.111% * 0.0593% (0.14 1.0 1.00 0.02 0.02) = 0.059% HA THR 39 - QG2 VAL 62 11.111% * 0.0402% (0.09 1.0 1.00 0.02 0.02) = 0.040% HA1 GLY 71 - QG2 VAL 62 11.111% * 0.0402% (0.09 1.0 1.00 0.02 0.92) = 0.040% HD3 PRO 31 - QG2 VAL 62 11.111% * 0.0367% (0.08 1.0 1.00 0.02 0.02) = 0.037% Peak 133 (3.45, 0.73, 22.14 ppm): 9 chemical-shift based assignments, quality = 0.745, support = 0.971, residual support = 1.45: T HA VAL 62 - QD1 LEU 9 11.111% * 95.7115% (0.77 10.00 0.99 1.52) = 95.712% kept HA THR 39 - QD1 LEU 9 11.111% * 2.9878% (0.26 1.00 0.92 0.02) = 2.988% kept T HA ILE 48 - QD1 LEU 9 11.111% * 0.5144% (0.20 10.00 0.02 0.02) = 0.514% HA VAL 80 - QD1 LEU 9 11.111% * 0.2245% (0.89 1.00 0.02 0.02) = 0.224% HA1 GLY 71 - QD1 LEU 9 11.111% * 0.1317% (0.52 1.00 0.02 0.02) = 0.132% HD3 PRO 31 - QD1 LEU 9 11.111% * 0.1224% (0.48 1.00 0.02 0.02) = 0.122% HB THR 79 - QD1 LEU 9 11.111% * 0.1132% (0.45 1.00 0.02 0.02) = 0.113% HB2 SER 69 - QD1 LEU 9 11.111% * 0.1043% (0.41 1.00 0.02 0.02) = 0.104% HA ASN 89 - QD1 LEU 9 11.111% * 0.0901% (0.36 1.00 0.02 0.02) = 0.090% Peak 138 (3.08, 0.89, 22.12 ppm): 8 chemical-shift based assignments, quality = 0.645, support = 3.41, residual support = 36.0: O T HA VAL 47 - QG1 VAL 47 12.500% * 77.2021% (0.77 10.0 10.00 3.33 36.12) = 77.202% kept O T HA VAL 47 - QG2 VAL 47 12.500% * 22.4969% (0.22 10.0 10.00 3.72 36.12) = 22.497% kept HA1 GLY 58 - QG1 VAL 47 12.500% * 0.1606% (0.31 1.0 1.00 0.10 0.02) = 0.161% HB3 ASP- 25 - QG1 VAL 47 12.500% * 0.0874% (0.87 1.0 1.00 0.02 0.02) = 0.087% HB3 ASP- 25 - QG2 VAL 47 12.500% * 0.0255% (0.25 1.0 1.00 0.02 0.02) = 0.025% HB3 HIS+ 8 - QG1 VAL 47 12.500% * 0.0143% (0.14 1.0 1.00 0.02 0.02) = 0.014% HA1 GLY 58 - QG2 VAL 47 12.500% * 0.0091% (0.09 1.0 1.00 0.02 0.02) = 0.009% HB3 HIS+ 8 - QG2 VAL 47 12.500% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 139 (2.84, 0.93, 22.15 ppm): 6 chemical-shift based assignments, quality = 0.27, support = 0.338, residual support = 0.444: HA1 GLY 58 - QG2 VAL 62 16.667% * 49.2594% (0.25 0.48 0.66) = 49.259% kept HB3 HIS+ 3 - QG2 VAL 62 16.667% * 32.4911% (0.29 0.27 0.35) = 32.491% kept HA1 GLY 58 - QG1 VAL 47 16.667% * 12.5216% (0.30 0.10 0.02) = 12.522% kept HB3 HIS+ 3 - QG1 VAL 47 16.667% * 2.7878% (0.34 0.02 0.02) = 2.788% kept HB3 ASN 119 - QG1 VAL 47 16.667% * 1.5889% (0.19 0.02 0.02) = 1.589% kept HB3 ASN 119 - QG2 VAL 62 16.667% * 1.3513% (0.17 0.02 0.02) = 1.351% kept Peak 140 (2.48, 0.73, 22.13 ppm): 4 chemical-shift based assignments, quality = 0.802, support = 1.46, residual support = 2.69: HB VAL 40 - QD1 LEU 9 25.000% * 67.3448% (0.82 1.81 3.78) = 67.345% kept HA1 GLY 58 - QD1 LEU 9 25.000% * 29.2366% (0.79 0.82 0.48) = 29.237% kept HB3 LYS+ 81 - QD1 LEU 9 25.000% * 2.6985% (0.63 0.09 0.02) = 2.698% kept HG3 PRO 35 - QD1 LEU 9 25.000% * 0.7201% (0.80 0.02 0.02) = 0.720% Peak 142 (2.46, 0.96, 22.04 ppm): 4 chemical-shift based assignments, quality = 0.0768, support = 0.572, residual support = 0.722: HA1 GLY 58 - QG2 VAL 62 25.000% * 57.3910% (0.10 0.48 0.66) = 57.391% kept HG3 GLU- 45 - QG2 VAL 62 25.000% * 40.2776% (0.05 0.74 0.84) = 40.278% kept HB VAL 40 - QG2 VAL 62 25.000% * 1.8824% (0.08 0.02 0.02) = 1.882% kept HG3 PRO 35 - QG2 VAL 62 25.000% * 0.4490% (0.02 0.02 0.02) = 0.449% Not enough quality. Peak unassigned. Peak 143 (2.23, 4.28, 63.44 ppm): 28 chemical-shift based assignments, quality = 0.301, support = 0.698, residual support = 1.44: HA1 GLY 58 - HA PRO 104 3.571% * 29.4675% (0.20 1.40 4.03) = 29.468% kept HG3 GLU- 18 - HA PRO 104 3.571% * 22.2683% (0.47 0.44 0.02) = 22.268% kept HG3 MET 126 - HA PRO 104 3.571% * 21.5980% (0.34 0.60 0.13) = 21.598% kept HB3 PRO 52 - HA PRO 104 3.571% * 6.3277% (0.52 0.11 0.02) = 6.328% kept HG3 MET 118 - HA PRO 104 3.571% * 4.7946% (0.51 0.09 0.02) = 4.795% kept HA1 GLY 58 - HA PRO 112 3.571% * 4.1134% (0.06 0.67 0.11) = 4.113% kept HB2 LYS+ 113 - HA PRO 112 3.571% * 2.4214% (0.03 0.75 8.67) = 2.421% kept HG3 GLU- 75 - HA PRO 104 3.571% * 1.0359% (0.48 0.02 0.02) = 1.036% kept HG3 GLU- 107 - HA PRO 104 3.571% * 0.9734% (0.45 0.02 0.02) = 0.973% HB2 GLU- 50 - HA PRO 104 3.571% * 0.9374% (0.44 0.02 0.02) = 0.937% HG3 GLU- 109 - HA PRO 104 3.571% * 0.8149% (0.38 0.02 0.02) = 0.815% HG3 GLU- 10 - HA PRO 104 3.571% * 0.7709% (0.36 0.02 0.02) = 0.771% HG2 GLU- 56 - HA PRO 104 3.571% * 0.7260% (0.34 0.02 0.02) = 0.726% HG3 GLU- 54 - HA PRO 104 3.571% * 0.3464% (0.16 0.02 0.02) = 0.346% HB3 PRO 52 - HA PRO 112 3.571% * 0.3263% (0.15 0.02 0.02) = 0.326% HG3 MET 118 - HA PRO 112 3.571% * 0.3198% (0.15 0.02 0.02) = 0.320% HB VAL 80 - HA PRO 104 3.571% * 0.3120% (0.15 0.02 0.02) = 0.312% HG3 GLU- 75 - HA PRO 112 3.571% * 0.3012% (0.14 0.02 0.02) = 0.301% HG3 GLU- 18 - HA PRO 112 3.571% * 0.2926% (0.14 0.02 0.02) = 0.293% HG3 GLU- 107 - HA PRO 112 3.571% * 0.2830% (0.13 0.02 0.02) = 0.283% HB2 GLU- 50 - HA PRO 112 3.571% * 0.2725% (0.13 0.02 0.02) = 0.273% HG3 GLU- 109 - HA PRO 112 3.571% * 0.2369% (0.11 0.02 0.02) = 0.237% HG3 GLU- 10 - HA PRO 112 3.571% * 0.2241% (0.10 0.02 0.02) = 0.224% HB2 LYS+ 113 - HA PRO 104 3.571% * 0.2221% (0.10 0.02 0.02) = 0.222% HG3 MET 126 - HA PRO 112 3.571% * 0.2111% (0.10 0.02 0.02) = 0.211% HG2 GLU- 56 - HA PRO 112 3.571% * 0.2111% (0.10 0.02 0.02) = 0.211% HG3 GLU- 54 - HA PRO 112 3.571% * 0.1007% (0.05 0.02 0.02) = 0.101% HB VAL 80 - HA PRO 112 3.571% * 0.0907% (0.04 0.02 0.02) = 0.091% Peak 144 (2.04, 0.95, 22.08 ppm): 15 chemical-shift based assignments, quality = 0.211, support = 1.96, residual support = 26.1: O T HB VAL 62 - QG2 VAL 62 6.667% * 86.3441% (0.22 10.0 10.00 2.17 30.13) = 86.344% kept T HB2 LYS+ 44 - QG2 VAL 62 6.667% * 4.3588% (0.11 1.0 10.00 0.21 0.85) = 4.359% kept HB3 GLU- 45 - QG2 VAL 62 6.667% * 3.6630% (0.16 1.0 1.00 1.16 0.84) = 3.663% kept HB2 GLU- 45 - QG2 VAL 62 6.667% * 3.5625% (0.19 1.0 1.00 0.98 0.84) = 3.562% kept T HG3 PRO 86 - QG2 VAL 62 6.667% * 0.8634% (0.22 1.0 10.00 0.02 0.02) = 0.863% T HB3 LYS+ 110 - QG2 VAL 62 6.667% * 0.8407% (0.22 1.0 10.00 0.02 0.02) = 0.841% HB3 GLU- 10 - QG2 VAL 62 6.667% * 0.0781% (0.20 1.0 1.00 0.02 0.02) = 0.078% HB3 GLU- 107 - QG2 VAL 62 6.667% * 0.0756% (0.20 1.0 1.00 0.02 0.02) = 0.076% HB3 GLU- 75 - QG2 VAL 62 6.667% * 0.0551% (0.14 1.0 1.00 0.02 0.02) = 0.055% HB3 PRO 31 - QG2 VAL 62 6.667% * 0.0424% (0.11 1.0 1.00 0.02 0.02) = 0.042% HB2 PRO 112 - QG2 VAL 62 6.667% * 0.0327% (0.08 1.0 1.00 0.02 0.02) = 0.033% HB3 PRO 112 - QG2 VAL 62 6.667% * 0.0269% (0.07 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 116 - QG2 VAL 62 6.667% * 0.0242% (0.06 1.0 1.00 0.02 0.02) = 0.024% HG3 ARG+ 53 - QG2 VAL 62 6.667% * 0.0172% (0.04 1.0 1.00 0.02 0.02) = 0.017% HG2 GLU- 64 - QG2 VAL 62 6.667% * 0.0153% (0.04 1.0 1.00 0.02 0.02) = 0.015% Peak 145 (1.66, 4.28, 63.54 ppm): 14 chemical-shift based assignments, quality = 0.396, support = 0.313, residual support = 0.116: T HB3 MET 126 - HA PRO 104 7.143% * 88.8257% (0.41 10.00 0.35 0.13) = 88.826% kept T HG3 ARG+ 84 - HA PRO 104 7.143% * 5.3815% (0.43 10.00 0.02 0.02) = 5.382% kept HB3 MET 97 - HA PRO 104 7.143% * 2.3378% (0.35 1.00 0.11 0.02) = 2.338% kept T HG3 ARG+ 84 - HA PRO 112 7.143% * 1.4703% (0.12 10.00 0.02 0.02) = 1.470% kept HB2 HIS+ 8 - HA PRO 104 7.143% * 0.5382% (0.43 1.00 0.02 0.02) = 0.538% HB3 ARG+ 22 - HA PRO 104 7.143% * 0.3908% (0.31 1.00 0.02 0.02) = 0.391% HD3 LYS+ 55 - HA PRO 104 7.143% * 0.2135% (0.17 1.00 0.02 0.02) = 0.214% HB VAL 99 - HA PRO 104 7.143% * 0.2135% (0.17 1.00 0.02 0.02) = 0.214% HB2 HIS+ 8 - HA PRO 112 7.143% * 0.1470% (0.12 1.00 0.02 0.02) = 0.147% HB3 MET 126 - HA PRO 112 7.143% * 0.1394% (0.11 1.00 0.02 0.02) = 0.139% HB3 MET 97 - HA PRO 112 7.143% * 0.1188% (0.10 1.00 0.02 0.02) = 0.119% HB3 ARG+ 22 - HA PRO 112 7.143% * 0.1068% (0.09 1.00 0.02 0.02) = 0.107% HD3 LYS+ 55 - HA PRO 112 7.143% * 0.0583% (0.05 1.00 0.02 0.02) = 0.058% HB VAL 99 - HA PRO 112 7.143% * 0.0583% (0.05 1.00 0.02 0.02) = 0.058% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 147 (1.19, -0.03, 22.24 ppm): 6 chemical-shift based assignments, quality = 0.311, support = 3.11, residual support = 59.8: O HG LEU 74 - QD1 LEU 74 16.667% * 45.8273% (0.35 10.0 1.00 4.01 76.40) = 45.827% kept O HB2 LEU 74 - QD1 LEU 74 16.667% * 30.8750% (0.23 10.0 1.00 3.46 76.40) = 30.875% kept T HB ILE 68 - QD1 LEU 74 16.667% * 22.3283% (0.36 1.0 10.00 0.94 5.42) = 22.328% kept QG2 THR 106 - QD1 LEU 74 16.667% * 0.9259% (0.19 1.0 1.00 0.74 0.75) = 0.926% HB3 LYS+ 66 - QD1 LEU 74 16.667% * 0.0328% (0.25 1.0 1.00 0.02 1.22) = 0.033% HG3 PRO 59 - QD1 LEU 74 16.667% * 0.0106% (0.08 1.0 1.00 0.02 0.02) = 0.011% Peak 150 (0.90, -0.03, 22.25 ppm): 14 chemical-shift based assignments, quality = 0.198, support = 3.31, residual support = 59.8: O HG LEU 74 - QD1 LEU 74 7.143% * 74.9346% (0.19 10.0 4.01 76.40) = 74.935% kept QG2 VAL 73 - QD1 LEU 74 7.143% * 6.6934% (0.14 1.0 2.43 10.26) = 6.693% kept QG1 VAL 122 - QD1 LEU 74 7.143% * 5.1954% (0.22 1.0 1.20 4.52) = 5.195% kept QD1 LEU 67 - QD1 LEU 74 7.143% * 4.9086% (0.34 1.0 0.75 26.34) = 4.909% kept HG13 ILE 68 - QD1 LEU 74 7.143% * 4.2606% (0.32 1.0 0.67 5.42) = 4.261% kept QG2 VAL 125 - QD1 LEU 74 7.143% * 2.2520% (0.15 1.0 0.75 2.59) = 2.252% kept QG1 VAL 47 - QD1 LEU 74 7.143% * 0.7921% (0.34 1.0 0.12 0.86) = 0.792% QG2 VAL 87 - QD1 LEU 74 7.143% * 0.5247% (0.33 1.0 0.08 0.02) = 0.525% QG2 VAL 105 - QD1 LEU 74 7.143% * 0.1340% (0.34 1.0 0.02 0.62) = 0.134% QG1 VAL 80 - QD1 LEU 74 7.143% * 0.1073% (0.27 1.0 0.02 0.45) = 0.107% QG2 VAL 47 - QD1 LEU 74 7.143% * 0.0652% (0.17 1.0 0.02 0.86) = 0.065% QG1 VAL 40 - QD1 LEU 74 7.143% * 0.0551% (0.14 1.0 0.02 0.02) = 0.055% QG2 VAL 99 - QD1 LEU 74 7.143% * 0.0503% (0.13 1.0 0.02 0.02) = 0.050% QG2 VAL 122 - QD1 LEU 74 7.143% * 0.0265% (0.07 1.0 0.02 4.52) = 0.027% 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): 2 chemical-shift based assignments, quality = 0.122, support = 0.9, residual support = 1.29: T QD1 LEU 74 - QD1 LEU 9 50.000% * 99.9243% (0.12 10.00 0.90 1.30) = 99.924% kept QD1 LEU 74 - QG2 VAL 94 50.000% * 0.0757% (0.01 1.00 0.13 0.26) = 0.076% Not enough quality. Peak unassigned. Peak 157 (8.96, 0.70, 21.70 ppm): 10 chemical-shift based assignments, quality = 0.522, support = 1.66, residual support = 1.78: HN THR 96 - QG2 VAL 94 10.000% * 42.5862% (0.42 2.78 3.85) = 42.586% kept HN MET 97 - QG2 VAL 94 10.000% * 24.2564% (0.73 0.90 0.47) = 24.256% kept HN LEU 17 - QG2 VAL 94 10.000% * 18.9151% (0.66 0.78 0.02) = 18.915% kept HN PHE 21 - QG2 VAL 94 10.000% * 10.2565% (0.33 0.84 0.15) = 10.256% kept HN ARG+ 22 - QG2 VAL 94 10.000% * 1.7327% (0.48 0.10 0.02) = 1.733% kept HN THR 96 - QD1 LEU 9 10.000% * 1.2272% (0.02 1.58 0.95) = 1.227% kept HN MET 97 - QD1 LEU 9 10.000% * 0.9713% (0.04 0.71 0.02) = 0.971% HN LEU 17 - QD1 LEU 9 10.000% * 0.0246% (0.03 0.02 0.02) = 0.025% HN ARG+ 22 - QD1 LEU 9 10.000% * 0.0178% (0.02 0.02 0.57) = 0.018% HN PHE 21 - QD1 LEU 9 10.000% * 0.0123% (0.02 0.02 0.02) = 0.012% Peak 158 (8.78, 1.11, 21.74 ppm): 16 chemical-shift based assignments, quality = 0.442, support = 2.49, residual support = 8.66: HN VAL 62 - QG2 THR 61 6.250% * 32.8181% (0.34 4.08 11.80) = 32.818% kept HN THR 95 - QG2 THR 95 6.250% * 24.7846% (0.35 3.04 11.56) = 24.785% kept HN THR 95 - QG2 THR 96 6.250% * 24.4000% (0.80 1.30 7.85) = 24.400% kept HN VAL 62 - QG2 THR 96 6.250% * 5.8158% (0.31 0.81 0.02) = 5.816% kept HN PHE 34 - QG2 THR 96 6.250% * 3.5731% (0.46 0.33 0.02) = 3.573% kept HN SER 69 - QG2 THR 95 6.250% * 1.8816% (0.31 0.26 0.02) = 1.882% kept HN VAL 62 - QG2 THR 79 6.250% * 1.7136% (0.21 0.35 0.02) = 1.714% kept HN PHE 34 - QG2 THR 95 6.250% * 1.2680% (0.20 0.27 0.02) = 1.268% kept HN VAL 62 - QG2 THR 95 6.250% * 1.0273% (0.13 0.33 0.02) = 1.027% kept HN THR 95 - QG2 THR 79 6.250% * 0.9813% (0.54 0.08 0.02) = 0.981% HN THR 95 - QG2 THR 61 6.250% * 0.4198% (0.90 0.02 0.02) = 0.420% HN SER 69 - QG2 THR 61 6.250% * 0.3715% (0.79 0.02 0.02) = 0.371% HN SER 69 - QG2 THR 96 6.250% * 0.3325% (0.71 0.02 0.02) = 0.332% HN PHE 34 - QG2 THR 61 6.250% * 0.2425% (0.52 0.02 0.02) = 0.242% HN SER 69 - QG2 THR 79 6.250% * 0.2242% (0.48 0.02 0.02) = 0.224% HN PHE 34 - QG2 THR 79 6.250% * 0.1463% (0.31 0.02 0.02) = 0.146% Peak 159 (8.79, 0.69, 21.70 ppm): 4 chemical-shift based assignments, quality = 0.825, support = 2.74, residual support = 5.02: HN THR 95 - QG2 VAL 94 25.000% * 86.7972% (0.81 3.10 5.76) = 86.797% kept HN SER 69 - QG2 VAL 94 25.000% * 12.9525% (0.94 0.40 0.12) = 12.952% kept HN ASN 57 - QG2 VAL 94 25.000% * 0.1328% (0.19 0.02 0.02) = 0.133% HN PHE 34 - QG2 VAL 94 25.000% * 0.1175% (0.17 0.02 0.02) = 0.118% Peak 160 (8.61, 0.68, 21.70 ppm): 4 chemical-shift based assignments, quality = 0.619, support = 1.27, residual support = 3.76: HN LYS+ 20 - QG2 VAL 94 25.000% * 65.3438% (0.76 1.25 5.49) = 65.344% kept HN SER 85 - QG2 VAL 94 25.000% * 33.3106% (0.36 1.36 0.52) = 33.311% kept HN VAL 80 - QG2 VAL 94 25.000% * 1.0552% (0.19 0.08 0.02) = 1.055% kept HN THR 39 - QG2 VAL 94 25.000% * 0.2905% (0.21 0.02 0.02) = 0.290% Peak 161 (8.27, 1.17, 21.82 ppm): 9 chemical-shift based assignments, quality = 0.187, support = 2.32, residual support = 11.1: HN THR 106 - QG2 THR 106 11.111% * 84.4687% (0.17 2.73 13.13) = 84.469% kept HN HIS+ 7 - QG2 THR 106 11.111% * 10.2706% (0.33 0.17 0.02) = 10.271% kept HN ASN 89 - QG2 THR 106 11.111% * 1.2022% (0.33 0.02 0.10) = 1.202% kept HN GLN 16 - QG2 THR 106 11.111% * 1.1024% (0.31 0.02 0.02) = 1.102% kept HN HIS+ 8 - QG2 THR 106 11.111% * 0.8221% (0.23 0.02 0.02) = 0.822% HN ASP- 28 - QG2 THR 106 11.111% * 0.7708% (0.21 0.02 0.02) = 0.771% HN ASP- 115 - QG2 THR 106 11.111% * 0.7195% (0.20 0.02 0.02) = 0.719% HN LEU 9 - QG2 THR 106 11.111% * 0.3922% (0.11 0.02 0.02) = 0.392% HN ALA 91 - QG2 THR 106 11.111% * 0.2515% (0.07 0.02 0.02) = 0.251% Peak 162 (7.99, -0.11, 21.90 ppm): 4 chemical-shift based assignments, quality = 0.944, support = 4.7, residual support = 49.1: HN LEU 43 - QD1 LEU 43 25.000% * 99.5301% (0.95 4.72 49.32) = 99.530% kept HN MET 126 - QD1 LEU 43 25.000% * 0.2783% (0.63 0.02 0.02) = 0.278% HN LYS+ 111 - QD1 LEU 43 25.000% * 0.0958% (0.22 0.02 0.02) = 0.096% HN SER 27 - QD1 LEU 43 25.000% * 0.0958% (0.22 0.02 0.02) = 0.096% Peak 163 (7.80, 1.32, 21.76 ppm): 5 chemical-shift based assignments, quality = 0.614, support = 1.4, residual support = 2.66: HN THR 46 - QB ALA 103 20.000% * 64.1769% (0.57 1.79 3.90) = 64.177% kept HN LYS+ 55 - QB ALA 103 20.000% * 33.7589% (0.71 0.76 0.46) = 33.759% kept HN ALA 93 - QB ALA 103 20.000% * 1.1074% (0.88 0.02 0.02) = 1.107% kept HN VAL 87 - QB ALA 103 20.000% * 0.7624% (0.61 0.02 0.02) = 0.762% HN LYS+ 63 - QB ALA 103 20.000% * 0.1944% (0.15 0.02 0.02) = 0.194% Peak 164 (7.44, 1.12, 21.77 ppm): 4 chemical-shift based assignments, quality = 0.689, support = 2.89, residual support = 15.5: HN THR 61 - QG2 THR 61 25.000% * 95.7028% (0.69 3.02 16.14) = 95.703% kept HN THR 61 - QG2 THR 96 25.000% * 3.8410% (0.82 0.10 0.02) = 3.841% kept HN THR 61 - QG2 THR 79 25.000% * 0.3147% (0.34 0.02 0.02) = 0.315% HN THR 61 - QG2 THR 95 25.000% * 0.1416% (0.15 0.02 0.02) = 0.142% Peak 165 (7.34, 1.32, 21.79 ppm): 8 chemical-shift based assignments, quality = 0.541, support = 1.34, residual support = 1.46: HN VAL 47 - QB ALA 103 12.500% * 30.7066% (0.33 2.66 1.34) = 30.707% kept HZ PHE 34 - QB ALA 103 12.500% * 24.6837% (0.79 0.89 0.65) = 24.684% kept QD PHE 34 - QB ALA 103 12.500% * 14.4601% (0.40 1.05 0.65) = 14.460% kept HZ2 TRP 51 - QB ALA 103 12.500% * 10.6537% (0.79 0.39 0.02) = 10.654% kept QE PHE 34 - QB ALA 103 12.500% * 10.4073% (0.79 0.38 0.65) = 10.407% kept HE22 GLN 102 - QB ALA 103 12.500% * 7.0251% (0.22 0.92 10.36) = 7.025% kept HE ARG+ 53 - QB ALA 103 12.500% * 1.8536% (0.18 0.30 0.02) = 1.854% kept HN ARG+ 84 - QB ALA 103 12.500% * 0.2100% (0.30 0.02 0.02) = 0.210% Peak 166 (7.34, -0.11, 21.86 ppm): 7 chemical-shift based assignments, quality = 0.835, support = 1.97, residual support = 7.1: QE PHE 34 - QD1 LEU 43 14.286% * 35.6197% (0.96 1.91 7.35) = 35.620% kept HZ PHE 34 - QD1 LEU 43 14.286% * 31.5970% (0.96 1.69 7.35) = 31.597% kept QD PHE 34 - QD1 LEU 43 14.286% * 29.4469% (0.59 2.55 7.35) = 29.447% kept HN VAL 47 - QD1 LEU 43 14.286% * 1.7227% (0.52 0.17 0.02) = 1.723% kept HN ARG+ 84 - QD1 LEU 43 14.286% * 1.1814% (0.48 0.13 0.02) = 1.181% kept HZ2 TRP 51 - QD1 LEU 43 14.286% * 0.3734% (0.96 0.02 0.02) = 0.373% HE22 GLN 102 - QD1 LEU 43 14.286% * 0.0588% (0.15 0.02 0.02) = 0.059% Peak 167 (7.05, 1.32, 21.79 ppm): 3 chemical-shift based assignments, quality = 0.772, support = 1.01, residual support = 1.93: QE PHE 21 - QB ALA 103 33.333% * 90.6232% (0.77 1.11 2.13) = 90.623% kept HE21 GLN 16 - QB ALA 103 33.333% * 7.6872% (0.85 0.08 0.02) = 7.687% kept QD TYR 83 - QB ALA 103 33.333% * 1.6896% (0.79 0.02 0.02) = 1.690% kept Peak 168 (7.04, -0.10, 21.91 ppm): 3 chemical-shift based assignments, quality = 0.901, support = 0.982, residual support = 3.14: QE PHE 21 - QD1 LEU 43 33.333% * 81.5645% (0.97 1.12 3.72) = 81.564% kept QD TYR 83 - QD1 LEU 43 33.333% * 17.3781% (0.59 0.39 0.58) = 17.378% kept HE21 GLN 16 - QD1 LEU 43 33.333% * 1.0574% (0.70 0.02 0.02) = 1.057% kept Peak 169 (6.87, -0.11, 21.86 ppm): 4 chemical-shift based assignments, quality = 0.632, support = 1.35, residual support = 2.91: QD PHE 21 - QD1 LEU 43 25.000% * 43.0970% (0.55 1.83 3.72) = 43.097% kept HZ PHE 21 - QD1 LEU 43 25.000% * 33.4594% (0.67 1.17 3.72) = 33.459% kept HD21 ASN 119 - QD1 LEU 43 25.000% * 23.2787% (0.74 0.73 0.28) = 23.279% kept HD22 ASN 15 - QD1 LEU 43 25.000% * 0.1649% (0.19 0.02 0.02) = 0.165% Peak 170 (4.84, 0.70, 21.72 ppm): 8 chemical-shift based assignments, quality = 0.241, support = 1.87, residual support = 4.68: HA THR 95 - QG2 VAL 94 12.500% * 48.1644% (0.25 2.33 5.76) = 48.164% kept HA ASN 89 - QG2 VAL 94 12.500% * 27.3722% (0.16 2.02 6.57) = 27.372% kept HA MET 97 - QG2 VAL 94 12.500% * 22.5859% (0.33 0.82 0.47) = 22.586% kept HA GLU- 107 - QG2 VAL 94 12.500% * 1.8098% (0.11 0.20 0.02) = 1.810% kept HA MET 97 - QD1 LEU 9 12.500% * 0.0263% (0.02 0.02 0.02) = 0.026% HA THR 95 - QD1 LEU 9 12.500% * 0.0197% (0.01 0.02 0.02) = 0.020% HA ASN 89 - QD1 LEU 9 12.500% * 0.0130% (0.01 0.02 0.02) = 0.013% HA GLU- 107 - QD1 LEU 9 12.500% * 0.0086% (0.01 0.02 0.02) = 0.009% Peak 171 (4.79, 1.17, 21.81 ppm): 7 chemical-shift based assignments, quality = 0.173, support = 0.622, residual support = 2.2: HA GLU- 107 - QG2 THR 106 14.286% * 58.5968% (0.17 0.94 3.72) = 58.597% kept HA PRO 116 - QG2 THR 106 14.286% * 11.6028% (0.23 0.13 0.02) = 11.603% kept HA ASN 89 - QG2 THR 106 14.286% * 11.5368% (0.08 0.37 0.10) = 11.537% kept HA ASN 15 - QG2 THR 106 14.286% * 10.1007% (0.22 0.12 0.02) = 10.101% kept HA ASP- 115 - QG2 THR 106 14.286% * 5.4029% (0.18 0.08 0.02) = 5.403% kept HA LYS+ 113 - QG2 THR 106 14.286% * 2.3091% (0.31 0.02 0.02) = 2.309% kept HA MET 97 - QG2 THR 106 14.286% * 0.4509% (0.06 0.02 0.02) = 0.451% Not enough quality. Peak unassigned. Peak 172 (4.72, 1.11, 21.83 ppm): 24 chemical-shift based assignments, quality = 0.564, support = 0.583, residual support = 0.435: HA PRO 31 - QG2 THR 61 4.167% * 41.4206% (0.97 0.43 0.02) = 41.421% kept HA ASN 89 - QG2 THR 96 4.167% * 20.4337% (0.28 0.73 0.36) = 20.434% kept HA ASN 89 - QG2 THR 95 4.167% * 15.3793% (0.10 1.49 2.27) = 15.379% kept HA ASN 89 - QG2 THR 61 4.167% * 8.6333% (0.31 0.28 0.02) = 8.633% kept HA PRO 31 - QG2 THR 96 4.167% * 1.7425% (0.87 0.02 0.02) = 1.743% kept HA2 GLY 30 - QG2 THR 61 4.167% * 1.7317% (0.87 0.02 0.02) = 1.732% kept HA2 GLY 30 - QG2 THR 96 4.167% * 1.5662% (0.79 0.02 0.02) = 1.566% kept HA PRO 31 - QG2 THR 79 4.167% * 1.3199% (0.66 0.02 0.02) = 1.320% kept HA2 GLY 30 - QG2 THR 79 4.167% * 1.1863% (0.59 0.02 0.02) = 1.186% kept HA HIS+ 7 - QG2 THR 61 4.167% * 1.0932% (0.55 0.02 0.02) = 1.093% kept HA HIS+ 7 - QG2 THR 96 4.167% * 0.9887% (0.50 0.02 0.02) = 0.989% HA HIS+ 7 - QG2 THR 79 4.167% * 0.7489% (0.38 0.02 0.02) = 0.749% HA PRO 31 - QG2 THR 95 4.167% * 0.6451% (0.32 0.02 0.02) = 0.645% HA2 GLY 30 - QG2 THR 95 4.167% * 0.5798% (0.29 0.02 0.02) = 0.580% HA ASN 89 - QG2 THR 79 4.167% * 0.4222% (0.21 0.02 0.02) = 0.422% HA HIS+ 7 - QG2 THR 95 4.167% * 0.3660% (0.18 0.02 0.02) = 0.366% HA MET 118 - QG2 THR 61 4.167% * 0.2979% (0.15 0.02 0.02) = 0.298% HA HIS+ 5 - QG2 THR 61 4.167% * 0.2979% (0.15 0.02 0.02) = 0.298% HA MET 118 - QG2 THR 96 4.167% * 0.2695% (0.14 0.02 0.02) = 0.269% HA HIS+ 5 - QG2 THR 96 4.167% * 0.2695% (0.14 0.02 0.02) = 0.269% HA MET 118 - QG2 THR 79 4.167% * 0.2041% (0.10 0.02 0.02) = 0.204% HA HIS+ 5 - QG2 THR 79 4.167% * 0.2041% (0.10 0.02 0.02) = 0.204% HA MET 118 - QG2 THR 95 4.167% * 0.0998% (0.05 0.02 0.02) = 0.100% HA HIS+ 5 - QG2 THR 95 4.167% * 0.0998% (0.05 0.02 0.02) = 0.100% Peak 173 (4.52, 1.32, 21.79 ppm): 11 chemical-shift based assignments, quality = 0.554, support = 1.82, residual support = 4.37: HA ASN 89 - QB ALA 103 9.091% * 37.0987% (0.51 2.65 8.16) = 37.099% kept HB THR 46 - QB ALA 103 9.091% * 30.4788% (0.64 1.73 3.90) = 30.479% kept HA LYS+ 55 - QB ALA 103 9.091% * 16.7925% (0.64 0.95 0.46) = 16.792% kept HA VAL 73 - QB ALA 103 9.091% * 10.5334% (0.29 1.34 0.71) = 10.533% kept HA LYS+ 78 - QB ALA 103 9.091% * 4.1501% (0.74 0.20 0.02) = 4.150% kept HA LEU 17 - QB ALA 103 9.091% * 0.3195% (0.16 0.08 0.02) = 0.320% HA GLU- 10 - QB ALA 103 9.091% * 0.1996% (0.36 0.02 0.02) = 0.200% HA SER 77 - QB ALA 103 9.091% * 0.1656% (0.30 0.02 0.02) = 0.166% HA CYS 123 - QB ALA 103 9.091% * 0.1211% (0.22 0.02 0.02) = 0.121% HA THR 79 - QB ALA 103 9.091% * 0.0749% (0.14 0.02 0.02) = 0.075% HA ASN 76 - QB ALA 103 9.091% * 0.0657% (0.12 0.02 0.02) = 0.066% Peak 182 (4.37, 1.11, 21.80 ppm): 64 chemical-shift based assignments, quality = 0.435, support = 1.5, residual support = 9.79: O HB THR 61 - QG2 THR 61 1.563% * 42.6892% (0.18 10.0 1.90 16.14) = 42.689% kept HA LYS+ 60 - QG2 THR 61 1.563% * 21.7091% (0.83 1.0 2.14 12.44) = 21.709% kept HA VAL 73 - QG2 THR 96 1.563% * 7.9676% (0.94 1.0 0.70 0.34) = 7.968% kept HA ASN 89 - QG2 THR 96 1.563% * 6.5338% (0.73 1.0 0.73 0.36) = 6.534% kept HA VAL 73 - QG2 THR 95 1.563% * 4.0813% (0.27 1.0 1.24 1.43) = 4.081% kept HA ASN 89 - QG2 THR 95 1.563% * 3.8222% (0.21 1.0 1.49 2.27) = 3.822% kept HA ASN 89 - QG2 THR 61 1.563% * 2.4733% (0.72 1.0 0.28 0.02) = 2.473% kept HA LYS+ 60 - QG2 THR 96 1.563% * 1.8194% (0.84 1.0 0.18 0.02) = 1.819% kept HA SER 88 - QG2 THR 95 1.563% * 0.8748% (0.07 1.0 1.07 0.12) = 0.875% HA THR 38 - QG2 THR 79 1.563% * 0.8022% (0.53 1.0 0.12 0.02) = 0.802% HA LYS+ 60 - QG2 THR 95 1.563% * 0.6467% (0.24 1.0 0.22 0.02) = 0.647% HB THR 61 - QG2 THR 96 1.563% * 0.5365% (0.19 1.0 0.24 0.02) = 0.537% HB3 HIS+ 4 - QG2 THR 96 1.563% * 0.2283% (0.94 1.0 0.02 0.02) = 0.228% HA VAL 73 - QG2 THR 61 1.563% * 0.2266% (0.93 1.0 0.02 0.02) = 0.227% HB3 HIS+ 4 - QG2 THR 61 1.563% * 0.2261% (0.93 1.0 0.02 0.02) = 0.226% HA2 GLY 26 - QG2 THR 96 1.563% * 0.2208% (0.91 1.0 0.02 0.02) = 0.221% HA THR 38 - QG2 THR 96 1.563% * 0.2208% (0.91 1.0 0.02 0.02) = 0.221% HA2 GLY 26 - QG2 THR 61 1.563% * 0.2187% (0.90 1.0 0.02 0.02) = 0.219% HA THR 38 - QG2 THR 61 1.563% * 0.2187% (0.90 1.0 0.02 0.02) = 0.219% HA LYS+ 117 - QG2 THR 96 1.563% * 0.2052% (0.84 1.0 0.02 0.02) = 0.205% HA LYS+ 117 - QG2 THR 61 1.563% * 0.2033% (0.83 1.0 0.02 0.02) = 0.203% HA ALA 37 - QG2 THR 96 1.563% * 0.1911% (0.78 1.0 0.02 0.02) = 0.191% HA ALA 37 - QG2 THR 61 1.563% * 0.1893% (0.78 1.0 0.02 0.02) = 0.189% HA MET 1 - QG2 THR 96 1.563% * 0.1832% (0.75 1.0 0.02 0.02) = 0.183% HA ASN 57 - QG2 THR 96 1.563% * 0.1832% (0.75 1.0 0.02 0.02) = 0.183% HA ASN 57 - QG2 THR 61 1.563% * 0.1815% (0.74 1.0 0.02 0.02) = 0.181% HA MET 1 - QG2 THR 61 1.563% * 0.1815% (0.74 1.0 0.02 0.02) = 0.181% HA1 GLY 26 - QG2 THR 96 1.563% * 0.1572% (0.64 1.0 0.02 0.02) = 0.157% HA1 GLY 26 - QG2 THR 61 1.563% * 0.1557% (0.64 1.0 0.02 0.02) = 0.156% HA VAL 73 - QG2 THR 79 1.563% * 0.1345% (0.55 1.0 0.02 0.02) = 0.135% HB3 HIS+ 4 - QG2 THR 79 1.563% * 0.1342% (0.55 1.0 0.02 0.02) = 0.134% HA2 GLY 26 - QG2 THR 79 1.563% * 0.1298% (0.53 1.0 0.02 0.02) = 0.130% HA HIS+ 3 - QG2 THR 96 1.563% * 0.1295% (0.53 1.0 0.02 0.02) = 0.130% HA TRP 51 - QG2 THR 96 1.563% * 0.1295% (0.53 1.0 0.02 0.02) = 0.130% HA TRP 51 - QG2 THR 61 1.563% * 0.1283% (0.53 1.0 0.02 0.02) = 0.128% HA HIS+ 3 - QG2 THR 61 1.563% * 0.1283% (0.53 1.0 0.02 0.02) = 0.128% HA LYS+ 117 - QG2 THR 79 1.563% * 0.1206% (0.50 1.0 0.02 0.02) = 0.121% HA LYS+ 60 - QG2 THR 79 1.563% * 0.1206% (0.50 1.0 0.02 0.02) = 0.121% HA ALA 37 - QG2 THR 79 1.563% * 0.1124% (0.46 1.0 0.02 0.02) = 0.112% HA ASN 57 - QG2 THR 79 1.563% * 0.1077% (0.44 1.0 0.02 0.02) = 0.108% HA MET 1 - QG2 THR 79 1.563% * 0.1077% (0.44 1.0 0.02 0.02) = 0.108% HA ASN 89 - QG2 THR 79 1.563% * 0.1048% (0.43 1.0 0.02 0.02) = 0.105% HA1 GLY 26 - QG2 THR 79 1.563% * 0.0924% (0.38 1.0 0.02 0.02) = 0.092% HA TRP 51 - QG2 THR 79 1.563% * 0.0762% (0.31 1.0 0.02 0.02) = 0.076% HA HIS+ 3 - QG2 THR 79 1.563% * 0.0762% (0.31 1.0 0.02 0.02) = 0.076% HB3 HIS+ 4 - QG2 THR 95 1.563% * 0.0657% (0.27 1.0 0.02 0.22) = 0.066% HA2 GLY 26 - QG2 THR 95 1.563% * 0.0635% (0.26 1.0 0.02 0.02) = 0.064% HA THR 38 - QG2 THR 95 1.563% * 0.0635% (0.26 1.0 0.02 0.02) = 0.064% HA LYS+ 117 - QG2 THR 95 1.563% * 0.0590% (0.24 1.0 0.02 0.02) = 0.059% HA SER 88 - QG2 THR 96 1.563% * 0.0570% (0.23 1.0 0.02 0.14) = 0.057% HA SER 88 - QG2 THR 61 1.563% * 0.0565% (0.23 1.0 0.02 0.02) = 0.057% HA ALA 37 - QG2 THR 95 1.563% * 0.0550% (0.23 1.0 0.02 0.02) = 0.055% HA ASN 57 - QG2 THR 95 1.563% * 0.0527% (0.22 1.0 0.02 0.02) = 0.053% HA MET 1 - QG2 THR 95 1.563% * 0.0527% (0.22 1.0 0.02 0.02) = 0.053% HA1 GLY 26 - QG2 THR 95 1.563% * 0.0452% (0.19 1.0 0.02 0.02) = 0.045% HA TRP 51 - QG2 THR 95 1.563% * 0.0373% (0.15 1.0 0.02 0.02) = 0.037% HA HIS+ 3 - QG2 THR 95 1.563% * 0.0373% (0.15 1.0 0.02 0.02) = 0.037% HA VAL 94 - QG2 THR 96 1.563% * 0.0353% (0.14 1.0 0.02 3.85) = 0.035% HA VAL 94 - QG2 THR 61 1.563% * 0.0350% (0.14 1.0 0.02 0.02) = 0.035% HA SER 88 - QG2 THR 79 1.563% * 0.0335% (0.14 1.0 0.02 0.02) = 0.034% HB THR 61 - QG2 THR 79 1.563% * 0.0266% (0.11 1.0 0.02 0.02) = 0.027% HA VAL 94 - QG2 THR 79 1.563% * 0.0208% (0.09 1.0 0.02 0.02) = 0.021% HB THR 61 - QG2 THR 95 1.563% * 0.0130% (0.05 1.0 0.02 0.02) = 0.013% HA VAL 94 - QG2 THR 95 1.563% * 0.0102% (0.04 1.0 0.02 5.76) = 0.010% Peak 184 (4.31, 1.17, 21.82 ppm): 9 chemical-shift based assignments, quality = 0.131, support = 0.919, residual support = 10.0: O T HA THR 106 - QG2 THR 106 11.111% * 75.3155% (0.08 10.0 10.00 1.00 13.13) = 75.316% kept HA VAL 73 - QG2 THR 106 11.111% * 14.5885% (0.30 1.0 1.00 1.00 0.96) = 14.588% kept HA ASN 89 - QG2 THR 106 11.111% * 5.2243% (0.30 1.0 1.00 0.37 0.10) = 5.224% kept T HA ILE 29 - QG2 THR 106 11.111% * 3.3530% (0.35 1.0 10.00 0.02 0.02) = 3.353% kept T HA VAL 94 - QG2 THR 106 11.111% * 0.7532% (0.08 1.0 10.00 0.02 0.02) = 0.753% HA PRO 112 - QG2 THR 106 11.111% * 0.3200% (0.34 1.0 1.00 0.02 0.02) = 0.320% HA PRO 104 - QG2 THR 106 11.111% * 0.2709% (0.28 1.0 1.00 0.02 0.14) = 0.271% HA LEU 90 - QG2 THR 106 11.111% * 0.1154% (0.12 1.0 1.00 0.02 0.02) = 0.115% HB THR 61 - QG2 THR 106 11.111% * 0.0592% (0.06 1.0 1.00 0.02 0.02) = 0.059% Peak 186 (4.17, 1.17, 21.83 ppm): 6 chemical-shift based assignments, quality = 0.214, support = 0.345, residual support = 0.195: T HA LYS+ 44 - QG2 THR 106 16.667% * 44.7791% (0.14 10.00 0.12 0.02) = 44.779% kept HA ASN 89 - QG2 THR 106 16.667% * 37.8072% (0.37 1.00 0.37 0.10) = 37.807% kept HA VAL 73 - QG2 THR 106 16.667% * 15.3656% (0.06 1.00 1.00 0.96) = 15.366% kept HA MET 126 - QG2 THR 106 16.667% * 1.0398% (0.19 1.00 0.02 0.02) = 1.040% kept HA GLU- 64 - QG2 THR 106 16.667% * 0.5327% (0.10 1.00 0.02 0.02) = 0.533% HB2 SER 88 - QG2 THR 106 16.667% * 0.4756% (0.09 1.00 0.02 0.02) = 0.476% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 187 (4.11, 1.32, 21.78 ppm): 9 chemical-shift based assignments, quality = 0.87, support = 1.7, residual support = 4.3: T HA THR 46 - QB ALA 103 11.111% * 81.7825% (0.88 10.00 1.60 3.90) = 81.783% kept HA ASN 89 - QB ALA 103 11.111% * 13.4751% (0.88 1.00 2.65 8.16) = 13.475% kept HA VAL 105 - QB ALA 103 11.111% * 3.1227% (0.82 1.00 0.66 0.14) = 3.123% kept HD2 PRO 59 - QB ALA 103 11.111% * 1.2997% (0.30 1.00 0.74 0.02) = 1.300% kept HB THR 106 - QB ALA 103 11.111% * 0.0918% (0.79 1.00 0.02 0.02) = 0.092% HA ARG+ 53 - QB ALA 103 11.111% * 0.0820% (0.71 1.00 0.02 0.02) = 0.082% HA LYS+ 44 - QB ALA 103 11.111% * 0.0638% (0.55 1.00 0.02 0.02) = 0.064% HA ALA 70 - QB ALA 103 11.111% * 0.0621% (0.54 1.00 0.02 0.02) = 0.062% HA2 GLY 71 - QB ALA 103 11.111% * 0.0203% (0.18 1.00 0.02 0.02) = 0.020% 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): 22 chemical-shift based assignments, quality = 0.591, support = 1.48, residual support = 3.83: T HB THR 96 - QG2 VAL 94 4.545% * 74.2049% (0.65 10.00 1.42 3.85) = 74.205% kept HA ASN 89 - QG2 VAL 94 4.545% * 10.1666% (0.63 1.00 2.02 6.57) = 10.167% kept HA THR 96 - QG2 VAL 94 4.545% * 6.9594% (0.37 1.00 2.34 3.85) = 6.959% kept T HB THR 96 - QD1 LEU 9 4.545% * 4.6376% (0.05 10.00 1.07 0.95) = 4.638% kept HA LYS+ 44 - QG2 VAL 94 4.545% * 2.2413% (0.59 1.00 0.47 0.02) = 2.241% kept HA LEU 74 - QG2 VAL 94 4.545% * 0.6999% (0.66 1.00 0.13 0.26) = 0.700% HA LEU 74 - QD1 LEU 9 4.545% * 0.3162% (0.05 1.00 0.72 1.30) = 0.316% HA THR 96 - QD1 LEU 9 4.545% * 0.1239% (0.03 1.00 0.50 0.95) = 0.124% HB3 CYS 121 - QD1 LEU 9 4.545% * 0.1100% (0.05 1.00 0.26 0.02) = 0.110% HB3 CYS 121 - QG2 VAL 94 4.545% * 0.1031% (0.65 1.00 0.02 0.02) = 0.103% HA VAL 122 - QG2 VAL 94 4.545% * 0.0971% (0.61 1.00 0.02 0.02) = 0.097% T HA LYS+ 44 - QD1 LEU 9 4.545% * 0.0787% (0.05 10.00 0.02 0.02) = 0.079% HB3 SER 77 - QG2 VAL 94 4.545% * 0.0710% (0.45 1.00 0.02 0.02) = 0.071% HB2 SER 77 - QG2 VAL 94 4.545% * 0.0512% (0.32 1.00 0.02 0.02) = 0.051% HA1 GLY 114 - QG2 VAL 94 4.545% * 0.0432% (0.27 1.00 0.02 0.02) = 0.043% HA VAL 122 - QD1 LEU 9 4.545% * 0.0313% (0.05 1.00 0.08 0.02) = 0.031% HA ILE 48 - QG2 VAL 94 4.545% * 0.0233% (0.15 1.00 0.02 0.02) = 0.023% T HA ILE 48 - QD1 LEU 9 4.545% * 0.0193% (0.01 10.00 0.02 0.02) = 0.019% HA ASN 89 - QD1 LEU 9 4.545% * 0.0084% (0.05 1.00 0.02 0.02) = 0.008% HB3 SER 77 - QD1 LEU 9 4.545% * 0.0059% (0.04 1.00 0.02 0.02) = 0.006% HB2 SER 77 - QD1 LEU 9 4.545% * 0.0043% (0.03 1.00 0.02 0.02) = 0.004% HA1 GLY 114 - QD1 LEU 9 4.545% * 0.0036% (0.02 1.00 0.02 0.02) = 0.004% Peak 196 (3.73, -0.11, 21.88 ppm): 7 chemical-shift based assignments, quality = 0.917, support = 3.36, residual support = 45.9: T HA LEU 43 - QD1 LEU 43 14.286% * 92.9427% (0.94 10.00 3.53 49.32) = 92.943% kept HA ASN 89 - QD1 LEU 43 14.286% * 2.8116% (0.74 1.00 0.76 0.21) = 2.812% kept HA ILE 48 - QD1 LEU 43 14.286% * 2.3524% (0.92 1.00 0.52 0.02) = 2.352% kept HA LYS+ 44 - QD1 LEU 43 14.286% * 1.7889% (0.14 1.00 2.50 4.65) = 1.789% kept HD3 PRO 104 - QD1 LEU 43 14.286% * 0.0699% (0.71 1.00 0.02 0.02) = 0.070% HB3 SER 27 - QD1 LEU 43 14.286% * 0.0214% (0.22 1.00 0.02 0.02) = 0.021% HB2 HIS+ 4 - QD1 LEU 43 14.286% * 0.0130% (0.13 1.00 0.02 0.02) = 0.013% Peak 204 (2.11, -0.11, 21.86 ppm): 12 chemical-shift based assignments, quality = 0.807, support = 3.61, residual support = 48.7: O T HB3 LEU 43 - QD1 LEU 43 8.333% * 71.6836% (0.99 10.0 10.00 3.36 49.32) = 71.684% kept O T HB2 LEU 43 - QD1 LEU 43 8.333% * 26.9635% (0.37 10.0 10.00 4.44 49.32) = 26.963% kept HB3 GLU- 75 - QD1 LEU 43 8.333% * 0.5530% (0.95 1.0 1.00 0.16 0.02) = 0.553% HA1 GLY 58 - QD1 LEU 43 8.333% * 0.5211% (0.20 1.0 1.00 0.73 0.18) = 0.521% 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% * 0.0522% (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% HB VAL 47 - 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% Peak 214 (1.62, -0.11, 21.89 ppm): 10 chemical-shift based assignments, quality = 0.738, support = 1.55, residual support = 1.13: HB2 LEU 67 - QD1 LEU 43 10.000% * 62.5263% (0.78 2.23 1.80) = 62.526% kept HD3 LYS+ 32 - QD1 LEU 43 10.000% * 13.5607% (0.59 0.64 0.02) = 13.561% kept HG2 LYS+ 110 - QD1 LEU 43 10.000% * 10.2406% (0.87 0.33 0.02) = 10.241% kept HG3 LYS+ 110 - QD1 LEU 43 10.000% * 10.0070% (0.84 0.33 0.02) = 10.007% kept HB3 LYS+ 32 - QD1 LEU 43 10.000% * 0.8354% (0.17 0.14 0.02) = 0.835% HG3 LYS+ 78 - QD1 LEU 43 10.000% * 0.6935% (0.96 0.02 0.02) = 0.693% HG12 ILE 101 - QD1 LEU 43 10.000% * 0.5603% (0.78 0.02 0.02) = 0.560% HB ILE 100 - QD1 LEU 43 10.000% * 0.5603% (0.78 0.02 0.02) = 0.560% HG LEU 23 - QD1 LEU 43 10.000% * 0.5081% (0.70 0.02 0.02) = 0.508% HB3 LEU 17 - QD1 LEU 43 10.000% * 0.5081% (0.70 0.02 0.02) = 0.508% Peak 224 (1.42, -0.11, 21.88 ppm): 11 chemical-shift based assignments, quality = 0.751, support = 1.33, residual support = 3.79: T QG2 THR 38 - QD1 LEU 43 9.091% * 61.0121% (0.75 10.00 1.03 3.33) = 61.012% kept HD3 LYS+ 44 - QD1 LEU 43 9.091% * 15.8943% (0.98 1.00 2.06 4.65) = 15.894% kept QB ALA 42 - QD1 LEU 43 9.091% * 11.5843% (0.67 1.00 2.18 6.64) = 11.584% kept HG LEU 74 - QD1 LEU 43 9.091% * 4.6404% (0.37 1.00 1.59 5.32) = 4.640% kept HB3 LYS+ 60 - QD1 LEU 43 9.091% * 3.5158% (0.60 1.00 0.75 0.16) = 3.516% kept QB ALA 37 - QD1 LEU 43 9.091% * 2.8204% (0.75 1.00 0.48 0.02) = 2.820% kept HG3 LYS+ 108 - QD1 LEU 43 9.091% * 0.1544% (0.98 1.00 0.02 0.02) = 0.154% HD3 LYS+ 113 - QD1 LEU 43 9.091% * 0.1339% (0.85 1.00 0.02 0.02) = 0.134% HG3 LYS+ 55 - QD1 LEU 43 9.091% * 0.1289% (0.82 1.00 0.02 0.02) = 0.129% HG LEU 90 - QD1 LEU 43 9.091% * 0.0812% (0.52 1.00 0.02 0.02) = 0.081% HD3 LYS+ 20 - QD1 LEU 43 9.091% * 0.0344% (0.22 1.00 0.02 0.02) = 0.034% Peak 227 (1.32, 1.32, 21.79 ppm): 1 diagonal assignment: QB ALA 103 - QB ALA 103 (0.84) kept 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 = 0.495, support = 2.84, residual support = 10.0: T HB ILE 68 - QD1 LEU 43 12.500% * 52.9509% (0.19 10.00 4.20 15.37) = 52.951% kept HG LEU 74 - QD1 LEU 43 12.500% * 21.0551% (0.97 1.00 1.59 5.32) = 21.055% kept HB2 LEU 74 - QD1 LEU 43 12.500% * 14.8271% (0.71 1.00 1.53 5.32) = 14.827% kept HG3 PRO 59 - QD1 LEU 43 12.500% * 5.8269% (0.98 1.00 0.44 0.02) = 5.827% kept HB3 LYS+ 66 - QD1 LEU 43 12.500% * 3.2671% (0.67 1.00 0.36 0.02) = 3.267% kept QB ALA 33 - QD1 LEU 43 12.500% * 1.8081% (0.15 1.00 0.88 0.02) = 1.808% kept QG2 THR 106 - QD1 LEU 43 12.500% * 0.2235% (0.82 1.00 0.02 0.02) = 0.223% HG3 LYS+ 32 - QD1 LEU 43 12.500% * 0.0413% (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 = 0.29, support = 0.364, residual support = 0.74: T HG LEU 74 - QG2 THR 106 25.000% * 98.3648% (0.29 10.00 0.37 0.75) = 98.365% kept QG1 VAL 99 - QG2 THR 106 25.000% * 0.6169% (0.34 1.00 0.02 0.02) = 0.617% HG2 LYS+ 20 - QG2 THR 106 25.000% * 0.5199% (0.29 1.00 0.02 0.02) = 0.520% HG13 ILE 100 - QG2 THR 106 25.000% * 0.4984% (0.28 1.00 0.02 0.02) = 0.498% Peak 260 (0.92, -0.11, 21.79 ppm): 14 chemical-shift based assignments, quality = 0.578, support = 1.01, residual support = 5.77: HG LEU 74 - QD1 LEU 43 7.143% * 30.4790% (0.49 1.59 5.32) = 30.479% kept HG13 ILE 68 - QD1 LEU 43 7.143% * 24.2155% (0.65 0.95 15.37) = 24.216% kept QD1 LEU 67 - QD1 LEU 43 7.143% * 23.6765% (0.59 1.03 1.80) = 23.677% kept QG2 VAL 73 - QD1 LEU 43 7.143% * 9.8610% (0.77 0.33 0.02) = 9.861% kept QG2 VAL 87 - QD1 LEU 43 7.143% * 5.5222% (0.62 0.23 0.02) = 5.522% kept QG2 VAL 105 - QD1 LEU 43 7.143% * 2.2499% (0.49 0.12 0.02) = 2.250% kept QG1 VAL 47 - QD1 LEU 43 7.143% * 1.9469% (0.53 0.09 0.02) = 1.947% kept QG1 VAL 80 - QD1 LEU 43 7.143% * 0.6102% (0.20 0.08 0.02) = 0.610% QG2 VAL 99 - QD1 LEU 43 7.143% * 0.5860% (0.75 0.02 0.02) = 0.586% QD1 LEU 17 - QD1 LEU 43 7.143% * 0.2846% (0.36 0.02 0.02) = 0.285% QG1 VAL 105 - QD1 LEU 43 7.143% * 0.2610% (0.33 0.02 0.02) = 0.261% HG12 ILE 29 - QD1 LEU 43 7.143% * 0.1112% (0.14 0.02 0.02) = 0.111% QG2 VAL 62 - QD1 LEU 43 7.143% * 0.0980% (0.13 0.02 0.21) = 0.098% QG1 VAL 122 - QD1 LEU 43 7.143% * 0.0980% (0.13 0.02 0.02) = 0.098% Peak 266 (0.70, -0.10, 21.87 ppm): 10 chemical-shift based assignments, quality = 0.876, support = 0.709, residual support = 0.786: HG LEU 67 - QD1 LEU 43 10.000% * 43.1122% (0.96 1.03 1.80) = 43.112% kept QD1 ILE 19 - QD1 LEU 43 10.000% * 19.1683% (0.86 0.51 0.02) = 19.168% kept HG12 ILE 19 - QD1 LEU 43 10.000% * 17.6058% (0.76 0.53 0.02) = 17.606% kept HG2 PRO 59 - QD1 LEU 43 10.000% * 17.1279% (0.94 0.42 0.02) = 17.128% kept HB2 LEU 9 - QD1 LEU 43 10.000% * 0.8180% (0.94 0.02 0.02) = 0.818% QG2 VAL 94 - QD1 LEU 43 10.000% * 0.6924% (0.80 0.02 0.02) = 0.692% QG2 ILE 101 - QD1 LEU 43 10.000% * 0.5940% (0.68 0.02 0.02) = 0.594% QG2 ILE 48 - QD1 LEU 43 10.000% * 0.4896% (0.56 0.02 0.02) = 0.490% QG1 VAL 62 - QD1 LEU 43 10.000% * 0.2404% (0.28 0.02 0.21) = 0.240% QG2 VAL 40 - QD1 LEU 43 10.000% * 0.1514% (0.17 0.02 0.02) = 0.151% Peak 272 (0.48, -0.11, 21.89 ppm): 1 chemical-shift based assignment, quality = 0.754, support = 3.65, residual support = 49.3: O QD2 LEU 43 - QD1 LEU 43 100.000% *100.0000% (0.75 10.0 3.65 49.32) = 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): 15 chemical-shift based assignments, quality = 0.163, support = 2.32, residual support = 5.54: HN THR 96 - QG2 THR 95 6.667% * 53.9986% (0.21 2.94 7.85) = 53.999% kept HN THR 96 - QG2 THR 96 6.667% * 20.7785% (0.08 2.90 5.81) = 20.778% kept HN MET 97 - QG2 THR 95 6.667% * 8.9484% (0.14 0.73 0.16) = 8.948% kept HN MET 97 - QG2 THR 96 6.667% * 4.6335% (0.06 0.96 1.76) = 4.633% kept HN THR 96 - QG2 THR 61 6.667% * 4.2126% (0.16 0.31 0.02) = 4.213% kept HN PHE 21 - QG2 THR 61 6.667% * 2.4198% (0.14 0.19 0.02) = 2.420% kept HN LEU 17 - QG2 THR 95 6.667% * 2.0156% (0.10 0.24 0.02) = 2.016% kept HN PHE 21 - QG2 THR 95 6.667% * 1.6897% (0.20 0.10 0.02) = 1.690% kept HN ARG+ 22 - QG2 THR 95 6.667% * 0.3778% (0.22 0.02 0.02) = 0.378% HN ARG+ 22 - QG2 THR 61 6.667% * 0.2749% (0.16 0.02 0.02) = 0.275% HN MET 97 - QG2 THR 61 6.667% * 0.1794% (0.10 0.02 0.02) = 0.179% HN ARG+ 22 - QG2 THR 96 6.667% * 0.1472% (0.09 0.02 0.02) = 0.147% HN PHE 21 - QG2 THR 96 6.667% * 0.1332% (0.08 0.02 0.02) = 0.133% HN LEU 17 - QG2 THR 61 6.667% * 0.1244% (0.07 0.02 0.02) = 0.124% HN LEU 17 - QG2 THR 96 6.667% * 0.0666% (0.04 0.02 0.02) = 0.067% Peak 284 (8.80, 0.82, 21.52 ppm): 5 chemical-shift based assignments, quality = 0.34, support = 1.52, residual support = 3.29: HN THR 95 - QG1 VAL 94 20.000% * 56.0788% (0.28 2.26 5.76) = 56.079% kept HN LYS+ 60 - QG1 VAL 94 20.000% * 24.4924% (0.38 0.73 0.16) = 24.492% kept HN SER 69 - QG1 VAL 94 20.000% * 17.0495% (0.45 0.43 0.12) = 17.049% kept HN ASN 57 - QG1 VAL 94 20.000% * 1.2964% (0.73 0.02 0.02) = 1.296% kept HN LYS+ 32 - QG1 VAL 94 20.000% * 1.0829% (0.61 0.02 0.02) = 1.083% kept Peak 285 (8.60, 1.42, 21.47 ppm): 4 chemical-shift based assignments, quality = 0.487, support = 1.75, residual support = 5.05: HN THR 39 - QG2 THR 38 25.000% * 60.0082% (0.52 2.31 7.52) = 60.008% kept HN VAL 80 - QG2 THR 38 25.000% * 23.0658% (0.49 0.94 1.75) = 23.066% kept HN VAL 73 - QG2 THR 38 25.000% * 16.1856% (0.37 0.88 0.86) = 16.186% kept HN LYS+ 20 - QG2 THR 38 25.000% * 0.7404% (0.75 0.02 0.02) = 0.740% Peak 286 (8.47, 4.18, 62.80 ppm): 12 chemical-shift based assignments, quality = 0.0963, support = 2.65, residual support = 7.55: O HN LEU 74 - HA VAL 73 8.333% * 73.5121% (0.08 10.0 3.36 10.26) = 73.512% kept HN GLY 92 - HA VAL 73 8.333% * 5.5056% (0.14 1.0 0.88 0.02) = 5.506% kept HN GLY 92 - HB2 SER 88 8.333% * 5.3786% (0.16 1.0 0.79 0.02) = 5.379% kept HN GLU- 107 - HA VAL 73 8.333% * 4.3254% (0.15 1.0 0.67 0.02) = 4.325% kept HN LYS+ 113 - HB2 SER 88 8.333% * 3.4791% (0.15 1.0 0.53 0.02) = 3.479% kept HN GLU- 18 - HA VAL 73 8.333% * 2.9228% (0.08 1.0 0.80 0.02) = 2.923% kept HN LEU 74 - HB2 SER 88 8.333% * 2.5376% (0.09 1.0 0.63 0.02) = 2.538% kept HN LYS+ 113 - HA VAL 73 8.333% * 2.0159% (0.14 1.0 0.34 0.24) = 2.016% kept HN GLU- 107 - HB2 SER 88 8.333% * 0.1406% (0.16 1.0 0.02 0.02) = 0.141% HN GLU- 18 - HB2 SER 88 8.333% * 0.0803% (0.09 1.0 0.02 0.02) = 0.080% HN GLU- 10 - HB2 SER 88 8.333% * 0.0532% (0.06 1.0 0.02 0.02) = 0.053% HN GLU- 10 - HA VAL 73 8.333% * 0.0487% (0.06 1.0 0.02 0.02) = 0.049% Peak 287 (8.23, 4.38, 63.07 ppm): 13 chemical-shift based assignments, quality = 0.473, support = 1.6, residual support = 1.11: HN LYS+ 81 - HA VAL 73 7.692% * 24.9674% (0.70 1.46 1.17) = 24.967% kept HN VAL 94 - HA VAL 73 7.692% * 19.6720% (0.35 2.32 1.98) = 19.672% kept HN VAL 105 - HA VAL 73 7.692% * 17.1702% (0.32 2.20 1.61) = 17.170% kept HN THR 106 - HA VAL 73 7.692% * 15.1462% (0.35 1.79 0.96) = 15.146% kept HN SER 49 - HA VAL 73 7.692% * 9.3593% (0.69 0.56 0.02) = 9.359% kept HN LEU 67 - HA VAL 73 7.692% * 6.9413% (0.70 0.41 0.02) = 6.941% kept HN GLU- 45 - HA VAL 73 7.692% * 4.5959% (0.18 1.06 0.02) = 4.596% kept HN GLN 16 - HA VAL 73 7.692% * 0.8821% (0.13 0.29 0.02) = 0.882% HN GLY 58 - HA VAL 73 7.692% * 0.3483% (0.72 0.02 0.02) = 0.348% HN MET 118 - HA VAL 73 7.692% * 0.3452% (0.71 0.02 0.02) = 0.345% HN GLU- 12 - HA VAL 73 7.692% * 0.3215% (0.66 0.02 0.02) = 0.322% HN ASP- 115 - HA VAL 73 7.692% * 0.1432% (0.29 0.02 0.02) = 0.143% HN ALA 11 - HA VAL 73 7.692% * 0.1075% (0.22 0.02 0.02) = 0.107% 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): 13 chemical-shift based assignments, quality = 0.92, support = 2.11, residual support = 6.56: HN VAL 94 - QG1 VAL 94 7.692% * 52.2310% (0.99 3.13 12.16) = 52.231% kept HN VAL 105 - QG1 VAL 94 7.692% * 22.7267% (0.99 1.36 0.82) = 22.727% kept HN GLU- 45 - QG1 VAL 94 7.692% * 12.5764% (0.89 0.84 0.16) = 12.576% kept HN LYS+ 117 - QG1 VAL 94 7.692% * 6.4393% (0.48 0.79 0.02) = 6.439% kept HN GLY 58 - QG1 VAL 94 7.692% * 2.4294% (0.48 0.30 0.02) = 2.429% kept HN ALA 11 - QG1 VAL 94 7.692% * 1.7976% (0.94 0.11 0.02) = 1.798% kept HN ALA 33 - QG1 VAL 94 7.692% * 1.0442% (0.28 0.22 0.02) = 1.044% kept HN SER 49 - QG1 VAL 94 7.692% * 0.2161% (0.64 0.02 0.02) = 0.216% HN MET 118 - QG1 VAL 94 7.692% * 0.1373% (0.41 0.02 0.02) = 0.137% HN LEU 67 - QG1 VAL 94 7.692% * 0.1254% (0.37 0.02 0.02) = 0.125% HN LYS+ 81 - QG1 VAL 94 7.692% * 0.1254% (0.37 0.02 0.02) = 0.125% HN GLU- 12 - QG1 VAL 94 7.692% * 0.0929% (0.28 0.02 0.02) = 0.093% HN ASN 119 - QG1 VAL 94 7.692% * 0.0585% (0.17 0.02 0.02) = 0.058% Peak 290 (8.08, 0.81, 21.29 ppm): 14 chemical-shift based assignments, quality = 0.225, support = 0.596, residual support = 0.074: HN HIS+ 5 - QG1 VAL 94 7.143% * 33.0213% (0.33 0.36 0.15) = 33.021% kept HN HIS+ 5 - QG2 VAL 13 7.143% * 26.7735% (0.07 1.42 0.02) = 26.774% kept HN LYS+ 110 - QG2 VAL 13 7.143% * 12.3234% (0.09 0.49 0.02) = 12.323% kept HN CYS 121 - QG1 VAL 94 7.143% * 10.4730% (0.44 0.08 0.02) = 10.473% kept HN VAL 122 - QG1 VAL 94 7.143% * 8.4610% (0.33 0.09 0.02) = 8.461% kept HN ASN 15 - QG2 VAL 13 7.143% * 3.3779% (0.02 0.66 0.37) = 3.378% kept HN LYS+ 110 - QG1 VAL 94 7.143% * 2.4702% (0.44 0.02 0.02) = 2.470% kept HN HIS+ 3 - QG1 VAL 94 7.143% * 0.7117% (0.13 0.02 0.02) = 0.712% HN GLY 2 - QG1 VAL 94 7.143% * 0.7117% (0.13 0.02 0.02) = 0.712% HN ASN 15 - QG1 VAL 94 7.143% * 0.5065% (0.09 0.02 0.02) = 0.507% HN CYS 121 - QG2 VAL 13 7.143% * 0.5024% (0.09 0.02 0.02) = 0.502% HN VAL 122 - QG2 VAL 13 7.143% * 0.3780% (0.07 0.02 0.02) = 0.378% HN GLY 2 - QG2 VAL 13 7.143% * 0.1447% (0.03 0.02 0.02) = 0.145% HN HIS+ 3 - QG2 VAL 13 7.143% * 0.1447% (0.03 0.02 0.02) = 0.145% 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 = 3.67: QD PHE 34 - QG2 THR 38 16.667% * 34.3189% (0.49 2.13 3.71) = 34.319% kept HZ PHE 34 - QG2 THR 38 16.667% * 33.9025% (0.67 1.53 3.71) = 33.903% kept QE PHE 34 - QG2 THR 38 16.667% * 30.7781% (0.67 1.39 3.71) = 30.778% kept HZ2 TRP 51 - QG2 THR 38 16.667% * 0.4440% (0.67 0.02 0.02) = 0.444% HN VAL 47 - QG2 THR 38 16.667% * 0.2872% (0.44 0.02 0.02) = 0.287% HN ARG+ 84 - QG2 THR 38 16.667% * 0.2693% (0.41 0.02 0.02) = 0.269% Peak 293 (4.99, 4.18, 62.74 ppm): 6 chemical-shift based assignments, quality = 0.0949, support = 0.648, residual support = 0.38: HA ILE 68 - HA VAL 73 16.667% * 63.8913% (0.10 0.81 0.58) = 63.891% kept HA ILE 68 - HB2 SER 88 16.667% * 32.2220% (0.10 0.41 0.02) = 32.222% kept HA ILE 68 - HA LYS+ 110 16.667% * 1.7117% (0.10 0.02 0.02) = 1.712% kept HA PHE 34 - HA LYS+ 110 16.667% * 0.7640% (0.05 0.02 0.02) = 0.764% HA PHE 34 - HB2 SER 88 16.667% * 0.7058% (0.04 0.02 0.02) = 0.706% HA PHE 34 - HA VAL 73 16.667% * 0.7052% (0.04 0.02 0.02) = 0.705% Not enough quality. Peak unassigned. Peak 294 (4.79, 0.83, 21.45 ppm): 6 chemical-shift based assignments, quality = 0.673, support = 0.959, residual support = 1.87: HA ASN 89 - QG1 VAL 94 16.667% * 26.8907% (0.23 2.28 6.57) = 26.891% kept HA LYS+ 113 - QG1 VAL 94 16.667% * 25.9763% (0.93 0.55 0.22) = 25.976% kept HA ASP- 115 - QG1 VAL 94 16.667% * 22.5796% (0.75 0.60 0.12) = 22.580% kept HA ASN 15 - QG1 VAL 94 16.667% * 11.9433% (0.84 0.28 0.02) = 11.943% kept HA PRO 116 - QG1 VAL 94 16.667% * 11.1850% (0.86 0.26 0.12) = 11.185% kept HA GLU- 107 - QG1 VAL 94 16.667% * 1.4250% (0.23 0.12 0.02) = 1.425% kept Peak 295 (4.28, 0.82, 21.51 ppm): 15 chemical-shift based assignments, quality = 0.785, support = 1.5, residual support = 2.68: HA ASN 89 - QG1 VAL 94 6.667% * 30.6011% (0.87 2.28 6.57) = 30.601% kept HA VAL 73 - QG1 VAL 94 6.667% * 21.6545% (0.68 2.06 1.98) = 21.654% kept HD3 PRO 59 - QG1 VAL 94 6.667% * 16.6928% (0.89 1.22 0.85) = 16.693% kept HA LEU 90 - QG1 VAL 94 6.667% * 5.9140% (0.80 0.48 0.02) = 5.914% kept HA PRO 104 - QG1 VAL 94 6.667% * 5.6683% (0.34 1.09 1.22) = 5.668% kept HA ALA 91 - QG1 VAL 94 6.667% * 4.8540% (0.92 0.34 0.02) = 4.854% kept HA SER 85 - QG1 VAL 94 6.667% * 4.7759% (0.89 0.35 0.52) = 4.776% kept HA ARG+ 84 - QG1 VAL 94 6.667% * 4.4334% (0.80 0.36 0.02) = 4.433% kept HA THR 106 - QG1 VAL 94 6.667% * 2.7647% (0.92 0.20 0.02) = 2.765% kept HA GLU- 75 - QG1 VAL 94 6.667% * 1.2878% (0.48 0.17 0.02) = 1.288% kept HA2 GLY 114 - QG1 VAL 94 6.667% * 0.6988% (0.20 0.23 0.02) = 0.699% HA PRO 52 - QG1 VAL 94 6.667% * 0.2737% (0.89 0.02 0.02) = 0.274% HA VAL 65 - QG1 VAL 94 6.667% * 0.2549% (0.83 0.02 0.02) = 0.255% HA GLU- 56 - QG1 VAL 94 6.667% * 0.0848% (0.28 0.02 0.02) = 0.085% HA ILE 29 - QG1 VAL 94 6.667% * 0.0413% (0.13 0.02 0.02) = 0.041% Peak 297 (4.03, 1.42, 21.49 ppm): 6 chemical-shift based assignments, quality = 0.625, support = 1.68, residual support = 8.8: O T HB THR 38 - QG2 THR 38 16.667% * 57.8703% (0.60 10.0 10.00 1.99 14.85) = 57.870% kept T HA LYS+ 44 - QG2 THR 38 16.667% * 40.7386% (0.66 1.0 10.00 1.29 0.50) = 40.739% kept HA ASN 89 - QG2 THR 38 16.667% * 1.2993% (0.69 1.0 1.00 0.39 0.02) = 1.299% kept HB3 SER 77 - QG2 THR 38 16.667% * 0.0450% (0.47 1.0 1.00 0.02 0.02) = 0.045% HB3 SER 85 - QG2 THR 38 16.667% * 0.0378% (0.39 1.0 1.00 0.02 0.02) = 0.038% HB THR 39 - QG2 THR 38 16.667% * 0.0090% (0.09 1.0 1.00 0.02 7.52) = 0.009% Peak 298 (4.00, 1.08, 21.52 ppm): 32 chemical-shift based assignments, quality = 0.184, support = 1.37, residual support = 9.55: O HB THR 95 - QG2 THR 95 3.125% * 80.2796% (0.18 10.0 1.46 11.56) = 80.280% kept HA ASN 89 - QG2 THR 95 3.125% * 11.8057% (0.27 1.0 1.49 2.27) = 11.806% kept HA ASN 89 - QG2 THR 96 3.125% * 1.6384% (0.07 1.0 0.73 0.36) = 1.638% kept HB THR 39 - QG2 THR 79 3.125% * 1.3272% (0.11 1.0 0.39 0.22) = 1.327% kept HA ASN 89 - QG2 THR 61 3.125% * 1.3264% (0.16 1.0 0.28 0.02) = 1.326% kept HA LYS+ 44 - QG2 THR 95 3.125% * 0.9407% (0.27 1.0 0.12 0.02) = 0.941% HB3 HIS+ 5 - QG2 THR 95 3.125% * 0.8894% (0.27 1.0 0.11 0.02) = 0.889% HB THR 95 - QG2 THR 79 3.125% * 0.1811% (0.08 1.0 0.08 0.02) = 0.181% HB THR 39 - QG2 THR 95 3.125% * 0.1594% (0.27 1.0 0.02 0.02) = 0.159% HB3 SER 77 - QG2 THR 95 3.125% * 0.1484% (0.25 1.0 0.02 0.02) = 0.148% HA1 GLY 92 - QG2 THR 95 3.125% * 0.1097% (0.18 1.0 0.02 0.02) = 0.110% HB THR 39 - QG2 THR 61 3.125% * 0.0953% (0.16 1.0 0.02 0.02) = 0.095% HA LYS+ 44 - QG2 THR 61 3.125% * 0.0949% (0.16 1.0 0.02 0.02) = 0.095% HB3 HIS+ 5 - QG2 THR 61 3.125% * 0.0946% (0.16 1.0 0.02 0.02) = 0.095% HB3 SER 77 - QG2 THR 61 3.125% * 0.0887% (0.15 1.0 0.02 0.02) = 0.089% HA LYS+ 44 - QG2 THR 79 3.125% * 0.0677% (0.11 1.0 0.02 0.02) = 0.068% HA ASN 89 - QG2 THR 79 3.125% * 0.0675% (0.11 1.0 0.02 0.02) = 0.068% HB3 HIS+ 5 - QG2 THR 79 3.125% * 0.0675% (0.11 1.0 0.02 0.02) = 0.067% HA1 GLY 92 - QG2 THR 61 3.125% * 0.0656% (0.11 1.0 0.02 0.02) = 0.066% HB THR 95 - QG2 THR 61 3.125% * 0.0656% (0.11 1.0 0.02 0.02) = 0.066% HB3 SER 77 - QG2 THR 79 3.125% * 0.0633% (0.11 1.0 0.02 0.02) = 0.063% HB THR 38 - QG2 THR 95 3.125% * 0.0599% (0.10 1.0 0.02 0.02) = 0.060% HA1 GLY 92 - QG2 THR 79 3.125% * 0.0468% (0.08 1.0 0.02 0.02) = 0.047% HB THR 39 - QG2 THR 96 3.125% * 0.0450% (0.08 1.0 0.02 0.02) = 0.045% HA LYS+ 44 - QG2 THR 96 3.125% * 0.0448% (0.08 1.0 0.02 0.02) = 0.045% HB3 HIS+ 5 - QG2 THR 96 3.125% * 0.0447% (0.07 1.0 0.02 0.02) = 0.045% HB3 SER 77 - QG2 THR 96 3.125% * 0.0419% (0.07 1.0 0.02 0.02) = 0.042% HB THR 38 - QG2 THR 61 3.125% * 0.0358% (0.06 1.0 0.02 0.02) = 0.036% HB THR 95 - QG2 THR 96 3.125% * 0.0310% (0.05 1.0 0.02 7.85) = 0.031% HA1 GLY 92 - QG2 THR 96 3.125% * 0.0310% (0.05 1.0 0.02 0.02) = 0.031% HB THR 38 - QG2 THR 79 3.125% * 0.0255% (0.04 1.0 0.02 0.02) = 0.026% HB THR 38 - QG2 THR 96 3.125% * 0.0169% (0.03 1.0 0.02 0.02) = 0.017% 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): 24 chemical-shift based assignments, quality = 0.103, support = 0.599, residual support = 0.195: HB VAL 80 - QG2 THR 61 4.167% * 40.4089% (0.11 0.84 0.27) = 40.409% kept HB VAL 80 - QG2 THR 95 4.167% * 20.4944% (0.18 0.26 0.02) = 20.494% kept HA1 GLY 58 - QG2 THR 61 4.167% * 19.8187% (0.05 0.98 0.40) = 19.819% kept HG2 GLU- 56 - QG2 THR 61 4.167% * 4.5950% (0.09 0.11 0.02) = 4.595% kept HA1 GLY 58 - QG2 THR 95 4.167% * 4.0447% (0.08 0.12 0.02) = 4.045% kept HB VAL 80 - QG2 THR 96 4.167% * 2.6525% (0.05 0.11 0.02) = 2.653% kept HG2 GLU- 56 - QG2 THR 95 4.167% * 1.3276% (0.15 0.02 0.02) = 1.328% kept HG3 GLU- 10 - QG2 THR 95 4.167% * 1.2727% (0.15 0.02 0.02) = 1.273% kept HG3 GLU- 75 - QG2 THR 95 4.167% * 0.8362% (0.10 0.02 0.02) = 0.836% HG3 GLU- 10 - QG2 THR 61 4.167% * 0.7764% (0.09 0.02 0.02) = 0.776% HG3 GLU- 75 - QG2 THR 61 4.167% * 0.5101% (0.06 0.02 0.02) = 0.510% HB3 PRO 52 - QG2 THR 95 4.167% * 0.4906% (0.06 0.02 0.02) = 0.491% HG2 GLU- 56 - QG2 THR 96 4.167% * 0.4008% (0.05 0.02 0.02) = 0.401% HG3 GLU- 10 - QG2 THR 96 4.167% * 0.3842% (0.04 0.02 0.02) = 0.384% HG3 MET 118 - QG2 THR 95 4.167% * 0.3539% (0.04 0.02 0.02) = 0.354% HB3 PRO 52 - QG2 THR 61 4.167% * 0.2993% (0.03 0.02 0.02) = 0.299% HG3 GLU- 75 - QG2 THR 96 4.167% * 0.2524% (0.03 0.02 0.02) = 0.252% HG3 MET 118 - QG2 THR 61 4.167% * 0.2159% (0.02 0.02 0.02) = 0.216% HG3 GLU- 18 - QG2 THR 95 4.167% * 0.2151% (0.02 0.02 0.02) = 0.215% HA1 GLY 58 - QG2 THR 96 4.167% * 0.1996% (0.02 0.02 0.02) = 0.200% HB3 PRO 52 - QG2 THR 96 4.167% * 0.1481% (0.02 0.02 0.02) = 0.148% HG3 GLU- 18 - QG2 THR 61 4.167% * 0.1312% (0.01 0.02 0.02) = 0.131% HG3 MET 118 - QG2 THR 96 4.167% * 0.1068% (0.01 0.02 0.02) = 0.107% HG3 GLU- 18 - QG2 THR 96 4.167% * 0.0649% (0.01 0.02 0.49) = 0.065% Not enough quality. Peak unassigned. Peak 301 (2.19, 4.38, 63.05 ppm): 15 chemical-shift based assignments, quality = 0.58, support = 1.48, residual support = 3.61: T HB3 PRO 104 - HA VAL 73 6.667% * 74.9261% (0.67 10.00 1.79 4.67) = 74.926% kept T HB2 ASP- 82 - HA VAL 73 6.667% * 5.8655% (0.53 10.00 0.18 0.02) = 5.866% kept T HB3 GLU- 75 - HA VAL 73 6.667% * 4.5288% (0.20 10.00 0.37 0.02) = 4.529% kept T HG3 GLU- 109 - HA VAL 73 6.667% * 3.3084% (0.17 10.00 0.31 0.02) = 3.308% kept T HG3 GLU- 107 - HA VAL 73 6.667% * 3.0781% (0.10 10.00 0.47 0.02) = 3.078% kept HG2 GLN 102 - HA VAL 73 6.667% * 2.6222% (0.50 1.00 0.84 0.02) = 2.622% kept HG2 PRO 104 - HA VAL 73 6.667% * 2.3145% (0.17 1.00 2.16 4.67) = 2.314% kept HG2 GLN 16 - HA VAL 73 6.667% * 1.9346% (0.64 1.00 0.48 0.02) = 1.935% kept T HG3 GLU- 54 - HA VAL 73 6.667% * 0.5850% (0.47 10.00 0.02 0.02) = 0.585% HA1 GLY 58 - HA VAL 73 6.667% * 0.4588% (0.24 1.00 0.31 0.02) = 0.459% T HB2 GLU- 50 - HA VAL 73 6.667% * 0.1488% (0.12 10.00 0.02 0.02) = 0.149% HG2 MET 126 - HA VAL 73 6.667% * 0.0890% (0.71 1.00 0.02 0.02) = 0.089% HB2 LYS+ 113 - HA VAL 73 6.667% * 0.0737% (0.59 1.00 0.02 0.24) = 0.074% HG3 GLN 16 - HA VAL 73 6.667% * 0.0396% (0.32 1.00 0.02 0.02) = 0.040% HG3 MET 126 - HA VAL 73 6.667% * 0.0268% (0.21 1.00 0.02 0.02) = 0.027% 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): 16 chemical-shift based assignments, quality = 0.895, support = 2.64, residual support = 11.6: O QG2 VAL 73 - HA VAL 73 6.250% * 84.6538% (0.96 10.0 2.72 12.59) = 84.654% kept HG LEU 74 - HA VAL 73 6.250% * 8.2429% (0.59 1.0 3.17 10.26) = 8.243% kept QG1 VAL 105 - HA VAL 73 6.250% * 3.7123% (0.55 1.0 1.55 1.61) = 3.712% kept QD1 LEU 17 - HA VAL 73 6.250% * 1.6543% (0.59 1.0 0.64 0.32) = 1.654% kept HG13 ILE 68 - HA VAL 73 6.250% * 0.7878% (0.62 1.0 0.29 0.58) = 0.788% QD1 LEU 67 - HA VAL 73 6.250% * 0.3302% (0.55 1.0 0.14 0.02) = 0.330% QG2 VAL 62 - HA VAL 73 6.250% * 0.3223% (0.24 1.0 0.30 0.02) = 0.322% QG2 VAL 99 - HA VAL 73 6.250% * 0.0841% (0.96 1.0 0.02 0.02) = 0.084% QG2 VAL 87 - HA VAL 73 6.250% * 0.0515% (0.59 1.0 0.02 0.02) = 0.051% QG1 VAL 47 - HA VAL 73 6.250% * 0.0413% (0.47 1.0 0.02 0.02) = 0.041% QG2 VAL 105 - HA VAL 73 6.250% * 0.0380% (0.43 1.0 0.02 1.61) = 0.038% HG12 ILE 29 - HA VAL 73 6.250% * 0.0236% (0.27 1.0 0.02 0.02) = 0.024% QG2 ILE 29 - HA VAL 73 6.250% * 0.0168% (0.19 1.0 0.02 0.02) = 0.017% HG12 ILE 68 - HA VAL 73 6.250% * 0.0168% (0.19 1.0 0.02 0.58) = 0.017% QG1 VAL 80 - HA VAL 73 6.250% * 0.0131% (0.15 1.0 0.02 0.12) = 0.013% HG3 LYS+ 63 - HA VAL 73 6.250% * 0.0115% (0.13 1.0 0.02 0.02) = 0.011% 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 = 0.0387, support = 0.0482, residual support = 0.02: HN LYS+ 66 - HA VAL 73 25.000% * 45.4257% (0.03 0.08 0.02) = 45.426% kept HN LYS+ 66 - HA LYS+ 110 25.000% * 24.7002% (0.06 0.02 0.02) = 24.700% kept HN GLU- 54 - HA LYS+ 110 25.000% * 20.6313% (0.05 0.02 0.02) = 20.631% kept HN GLU- 54 - HA VAL 73 25.000% * 9.2428% (0.02 0.02 0.02) = 9.243% kept Not enough support, support cutoff is 0.22 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): 18 chemical-shift based assignments, quality = 0.271, support = 2.45, residual support = 8.03: O HN THR 106 - HA VAL 105 5.556% * 68.2405% (0.16 10.0 2.93 8.23) = 68.241% kept HN ASN 89 - HB2 SER 88 5.556% * 22.8021% (0.59 1.0 1.83 10.57) = 22.802% kept HN ASP- 28 - HB2 SER 88 5.556% * 4.8579% (0.38 1.0 0.61 0.02) = 4.858% kept HN HIS+ 7 - HB2 SER 88 5.556% * 1.5187% (0.59 1.0 0.12 0.02) = 1.519% kept HN ASP- 115 - HB2 SER 88 5.556% * 0.8457% (0.35 1.0 0.11 0.19) = 0.846% HN THR 106 - HB2 SER 88 5.556% * 0.4903% (0.30 1.0 0.08 0.02) = 0.490% HN GLN 16 - HB2 SER 88 5.556% * 0.2283% (0.54 1.0 0.02 0.02) = 0.228% HN HIS+ 8 - HB2 SER 88 5.556% * 0.1702% (0.40 1.0 0.02 0.02) = 0.170% HN ASN 89 - HA VAL 105 5.556% * 0.1326% (0.31 1.0 0.02 2.35) = 0.133% HN HIS+ 7 - HA VAL 105 5.556% * 0.1326% (0.31 1.0 0.02 0.02) = 0.133% HN GLN 16 - HA VAL 105 5.556% * 0.1216% (0.29 1.0 0.02 0.02) = 0.122% HN HIS+ 8 - HA VAL 105 5.556% * 0.0907% (0.21 1.0 0.02 0.02) = 0.091% HN ASP- 28 - HA VAL 105 5.556% * 0.0850% (0.20 1.0 0.02 0.02) = 0.085% HN LEU 9 - HB2 SER 88 5.556% * 0.0812% (0.19 1.0 0.02 0.02) = 0.081% HN ASP- 115 - HA VAL 105 5.556% * 0.0794% (0.19 1.0 0.02 0.02) = 0.079% HN ALA 91 - HB2 SER 88 5.556% * 0.0521% (0.12 1.0 0.02 0.02) = 0.052% HN LEU 9 - HA VAL 105 5.556% * 0.0433% (0.10 1.0 0.02 0.02) = 0.043% HN ALA 91 - HA VAL 105 5.556% * 0.0277% (0.07 1.0 0.02 0.02) = 0.028% 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 = 0.524, support = 1.68, residual support = 11.2: HN VAL 87 - HB2 SER 88 25.000% * 69.9477% (0.52 2.20 15.95) = 69.948% kept HN ALA 93 - HB2 SER 88 25.000% * 15.7682% (0.56 0.47 0.02) = 15.768% kept HN THR 46 - HB2 SER 88 25.000% * 13.8395% (0.50 0.45 0.02) = 13.840% kept HN LYS+ 55 - HB2 SER 88 25.000% * 0.4446% (0.37 0.02 0.02) = 0.445% 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): 20 chemical-shift based assignments, quality = 0.503, support = 1.75, residual support = 2.04: HA ASN 89 - QG2 VAL 105 5.000% * 38.5841% (0.51 2.19 2.35) = 38.584% kept HA VAL 73 - QG2 VAL 105 5.000% * 30.1084% (0.58 1.49 1.61) = 30.108% kept HA ASN 89 - QG2 VAL 87 5.000% * 27.5976% (0.49 1.63 2.34) = 27.598% kept HA VAL 94 - QG2 VAL 105 5.000% * 0.3951% (0.57 0.02 0.82) = 0.395% HA VAL 73 - QG2 VAL 87 5.000% * 0.3882% (0.56 0.02 0.02) = 0.388% HA VAL 94 - QG2 VAL 87 5.000% * 0.3808% (0.55 0.02 0.02) = 0.381% HB THR 61 - QG2 VAL 105 5.000% * 0.3713% (0.53 0.02 0.02) = 0.371% HB THR 61 - QG2 VAL 87 5.000% * 0.3578% (0.51 0.02 0.02) = 0.358% HA PRO 112 - QG2 VAL 105 5.000% * 0.2596% (0.37 0.02 0.02) = 0.260% HA PRO 112 - QG2 VAL 87 5.000% * 0.2502% (0.36 0.02 0.02) = 0.250% HA HIS+ 3 - QG2 VAL 105 5.000% * 0.1919% (0.28 0.02 0.02) = 0.192% HA HIS+ 3 - QG2 VAL 87 5.000% * 0.1849% (0.27 0.02 0.02) = 0.185% HA ILE 29 - QG2 VAL 105 5.000% * 0.1460% (0.21 0.02 0.02) = 0.146% HA1 GLY 26 - QG2 VAL 105 5.000% * 0.1460% (0.21 0.02 0.02) = 0.146% HA1 GLY 26 - QG2 VAL 87 5.000% * 0.1407% (0.20 0.02 0.02) = 0.141% HA ILE 29 - QG2 VAL 87 5.000% * 0.1407% (0.20 0.02 0.02) = 0.141% HA MET 1 - QG2 VAL 105 5.000% * 0.1067% (0.15 0.02 0.02) = 0.107% HA MET 1 - QG2 VAL 87 5.000% * 0.1028% (0.15 0.02 0.02) = 0.103% HA LYS+ 117 - QG2 VAL 105 5.000% * 0.0750% (0.11 0.02 0.02) = 0.075% HA LYS+ 117 - QG2 VAL 87 5.000% * 0.0722% (0.10 0.02 0.02) = 0.072% Peak 374 (4.17, 4.16, 62.60 ppm): 1 diagonal assignment: HB2 SER 88 - HB2 SER 88 (0.12) 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): 16 chemical-shift based assignments, quality = 0.361, support = 1.53, residual support = 3.83: HA ASN 89 - QG1 VAL 94 6.250% * 51.6960% (0.47 2.28 6.57) = 51.696% kept HA LYS+ 44 - QG1 VAL 94 6.250% * 12.2872% (0.46 0.55 0.02) = 12.287% kept HA ASN 89 - QG2 VAL 13 6.250% * 11.4320% (0.18 1.34 1.02) = 11.432% kept HB3 HIS+ 5 - QG1 VAL 94 6.250% * 7.8383% (0.28 0.57 0.15) = 7.838% kept HB THR 95 - QG1 VAL 94 6.250% * 5.2212% (0.10 1.03 5.76) = 5.221% kept HB THR 38 - QG2 VAL 13 6.250% * 3.4857% (0.15 0.47 0.02) = 3.486% kept HA LYS+ 44 - QG2 VAL 13 6.250% * 2.5354% (0.17 0.30 0.02) = 2.535% kept HB3 SER 77 - QG2 VAL 13 6.250% * 2.4415% (0.15 0.34 0.02) = 2.441% kept HA1 GLY 92 - QG1 VAL 94 6.250% * 1.2016% (0.10 0.24 0.02) = 1.202% kept HB THR 39 - QG2 VAL 13 6.250% * 0.6131% (0.11 0.11 0.02) = 0.613% HB THR 38 - QG1 VAL 94 6.250% * 0.3948% (0.41 0.02 0.02) = 0.395% HB3 SER 77 - QG1 VAL 94 6.250% * 0.3782% (0.39 0.02 0.02) = 0.378% HB THR 39 - QG1 VAL 94 6.250% * 0.2944% (0.30 0.02 0.02) = 0.294% HB3 HIS+ 5 - QG2 VAL 13 6.250% * 0.1042% (0.11 0.02 0.02) = 0.104% HB THR 95 - QG2 VAL 13 6.250% * 0.0382% (0.04 0.02 0.02) = 0.038% HA1 GLY 92 - QG2 VAL 13 6.250% * 0.0382% (0.04 0.02 0.02) = 0.038% 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 = 0.551, support = 0.253, residual support = 0.0359: HB VAL 47 - HB2 SER 88 12.500% * 46.0253% (0.67 0.36 0.02) = 46.025% kept HG3 GLU- 56 - HB2 SER 88 12.500% * 17.5084% (0.32 0.28 0.11) = 17.508% kept HB3 GLU- 75 - HB2 SER 88 12.500% * 16.0112% (0.60 0.14 0.02) = 16.011% kept HG3 GLN 102 - HB2 SER 88 12.500% * 10.9355% (0.55 0.10 0.02) = 10.935% kept HA1 GLY 58 - HB2 SER 88 12.500% * 4.4148% (0.16 0.14 0.02) = 4.415% kept HB2 ASP- 28 - HB2 SER 88 12.500% * 2.5878% (0.67 0.02 0.02) = 2.588% kept HB3 LYS+ 78 - HB2 SER 88 12.500% * 1.3645% (0.35 0.02 0.02) = 1.365% kept HB3 LEU 43 - HB2 SER 88 12.500% * 1.1525% (0.30 0.02 0.02) = 1.152% kept Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 390 (2.04, 4.13, 62.49 ppm): 28 chemical-shift based assignments, quality = 0.59, support = 0.562, residual support = 0.532: T HB3 LYS+ 110 - HB2 SER 88 3.571% * 78.9487% (0.63 10.00 0.64 0.66) = 78.949% kept HG3 PRO 86 - HB2 SER 88 3.571% * 5.8795% (0.74 1.00 0.41 0.02) = 5.879% kept HB3 GLU- 45 - HB2 SER 88 3.571% * 4.1647% (0.40 1.00 0.54 0.02) = 4.165% kept T HB2 LYS+ 44 - HB2 SER 88 3.571% * 4.0146% (0.23 10.00 0.09 0.21) = 4.015% kept HB2 GLU- 45 - HB2 SER 88 3.571% * 1.8397% (0.73 1.00 0.13 0.02) = 1.840% kept HB3 GLU- 75 - HB2 SER 88 3.571% * 1.3841% (0.52 1.00 0.14 0.02) = 1.384% kept T HB3 LYS+ 110 - HA VAL 105 3.571% * 0.8436% (0.22 10.00 0.02 0.02) = 0.844% HB3 GLU- 107 - HA VAL 105 3.571% * 0.8397% (0.18 1.00 0.24 0.02) = 0.840% T HB2 LYS+ 44 - HA VAL 105 3.571% * 0.3117% (0.08 10.00 0.02 0.02) = 0.312% HB3 GLU- 10 - HB2 SER 88 3.571% * 0.2913% (0.75 1.00 0.02 0.02) = 0.291% HB VAL 62 - HB2 SER 88 3.571% * 0.2881% (0.74 1.00 0.02 0.02) = 0.288% HB3 GLU- 107 - HB2 SER 88 3.571% * 0.2019% (0.52 1.00 0.02 0.02) = 0.202% HG3 ARG+ 53 - HB2 SER 88 3.571% * 0.1002% (0.26 1.00 0.02 0.02) = 0.100% HB3 GLU- 10 - HA VAL 105 3.571% * 0.1001% (0.26 1.00 0.02 0.02) = 0.100% HG3 PRO 86 - HA VAL 105 3.571% * 0.0990% (0.26 1.00 0.02 0.02) = 0.099% HB VAL 62 - HA VAL 105 3.571% * 0.0990% (0.26 1.00 0.02 0.02) = 0.099% HB2 GLU- 45 - HA VAL 105 3.571% * 0.0975% (0.25 1.00 0.02 0.02) = 0.097% HB3 PRO 31 - HB2 SER 88 3.571% * 0.0907% (0.23 1.00 0.02 0.02) = 0.091% HB3 GLU- 75 - HA VAL 105 3.571% * 0.0692% (0.18 1.00 0.02 0.02) = 0.069% HB2 PRO 112 - HB2 SER 88 3.571% * 0.0654% (0.17 1.00 0.02 0.02) = 0.065% HB3 GLU- 45 - HA VAL 105 3.571% * 0.0531% (0.14 1.00 0.02 0.02) = 0.053% HB3 PRO 112 - HB2 SER 88 3.571% * 0.0515% (0.13 1.00 0.02 0.02) = 0.051% HG2 PRO 116 - HB2 SER 88 3.571% * 0.0453% (0.12 1.00 0.02 0.21) = 0.045% HG3 ARG+ 53 - HA VAL 105 3.571% * 0.0345% (0.09 1.00 0.02 0.02) = 0.034% HB3 PRO 31 - HA VAL 105 3.571% * 0.0312% (0.08 1.00 0.02 0.02) = 0.031% HB2 PRO 112 - HA VAL 105 3.571% * 0.0225% (0.06 1.00 0.02 0.02) = 0.022% HB3 PRO 112 - HA VAL 105 3.571% * 0.0177% (0.05 1.00 0.02 0.02) = 0.018% HG2 PRO 116 - HA VAL 105 3.571% * 0.0156% (0.04 1.00 0.02 0.02) = 0.016% Peak 391 (2.05, 0.91, 21.27 ppm): 42 chemical-shift based assignments, quality = 0.279, support = 1.03, residual support = 4.87: T HG3 PRO 86 - QG2 VAL 87 2.381% * 57.4760% (0.31 10.00 1.51 8.41) = 57.476% kept T HB3 LYS+ 110 - QG2 VAL 105 2.381% * 13.2914% (0.35 10.00 0.31 0.02) = 13.291% kept T HB3 LYS+ 110 - QG2 VAL 87 2.381% * 8.3839% (0.26 10.00 0.26 0.02) = 8.384% kept T HB2 LYS+ 44 - QG2 VAL 87 2.381% * 7.9165% (0.09 10.00 0.72 0.32) = 7.917% kept T HB2 LYS+ 44 - QG2 VAL 105 2.381% * 5.4386% (0.12 10.00 0.37 0.02) = 5.439% kept HB2 GLU- 45 - QG2 VAL 87 2.381% * 2.5903% (0.32 1.00 0.67 0.10) = 2.590% kept HB2 GLU- 45 - QG2 VAL 105 2.381% * 1.1822% (0.42 1.00 0.23 0.02) = 1.182% kept T HG3 PRO 86 - QG2 VAL 105 2.381% * 1.0216% (0.42 10.00 0.02 0.02) = 1.022% kept HB3 GLU- 45 - QG2 VAL 87 2.381% * 0.7008% (0.16 1.00 0.36 0.10) = 0.701% HB3 GLU- 75 - QG2 VAL 87 2.381% * 0.5078% (0.23 1.00 0.18 0.02) = 0.508% HB3 GLU- 107 - QG2 VAL 105 2.381% * 0.4213% (0.28 1.00 0.12 0.02) = 0.421% HB3 GLU- 10 - QG2 VAL 105 2.381% * 0.1056% (0.43 1.00 0.02 0.02) = 0.106% HB VAL 62 - QG2 VAL 105 2.381% * 0.1022% (0.42 1.00 0.02 0.02) = 0.102% HB3 GLU- 10 - QG2 VAL 87 2.381% * 0.0789% (0.32 1.00 0.02 0.02) = 0.079% HB VAL 62 - QG2 VAL 87 2.381% * 0.0763% (0.31 1.00 0.02 0.02) = 0.076% HB3 GLU- 75 - QG2 VAL 105 2.381% * 0.0736% (0.30 1.00 0.02 0.02) = 0.074% HB3 GLU- 45 - QG2 VAL 105 2.381% * 0.0515% (0.21 1.00 0.02 0.02) = 0.052% HB3 GLU- 107 - QG2 VAL 87 2.381% * 0.0512% (0.21 1.00 0.02 0.02) = 0.051% HB3 GLU- 10 - QG2 VAL 122 2.381% * 0.0400% (0.16 1.00 0.02 0.02) = 0.040% HG3 ARG+ 53 - QG2 VAL 105 2.381% * 0.0397% (0.16 1.00 0.02 0.02) = 0.040% HB2 GLU- 45 - QG2 VAL 122 2.381% * 0.0393% (0.16 1.00 0.02 0.02) = 0.039% HG3 PRO 86 - QG2 VAL 122 2.381% * 0.0387% (0.16 1.00 0.02 0.02) = 0.039% HB VAL 62 - QG2 VAL 122 2.381% * 0.0387% (0.16 1.00 0.02 0.02) = 0.039% HB3 LYS+ 110 - QG2 VAL 122 2.381% * 0.0321% (0.13 1.00 0.02 0.02) = 0.032% HG3 ARG+ 53 - QG2 VAL 87 2.381% * 0.0297% (0.12 1.00 0.02 0.02) = 0.030% HB3 PRO 31 - QG2 VAL 105 2.381% * 0.0294% (0.12 1.00 0.02 0.02) = 0.029% HB3 GLU- 75 - QG2 VAL 122 2.381% * 0.0279% (0.11 1.00 0.02 0.02) = 0.028% HB3 GLU- 107 - QG2 VAL 122 2.381% * 0.0259% (0.11 1.00 0.02 0.02) = 0.026% HB3 PRO 31 - QG2 VAL 87 2.381% * 0.0220% (0.09 1.00 0.02 0.02) = 0.022% HB2 PRO 112 - QG2 VAL 105 2.381% * 0.0209% (0.09 1.00 0.02 0.02) = 0.021% HB3 GLU- 45 - QG2 VAL 122 2.381% * 0.0195% (0.08 1.00 0.02 0.02) = 0.020% HB3 PRO 112 - QG2 VAL 105 2.381% * 0.0163% (0.07 1.00 0.02 0.02) = 0.016% HB2 PRO 112 - QG2 VAL 87 2.381% * 0.0157% (0.06 1.00 0.02 0.02) = 0.016% HG3 ARG+ 53 - QG2 VAL 122 2.381% * 0.0151% (0.06 1.00 0.02 0.02) = 0.015% HG2 PRO 116 - QG2 VAL 105 2.381% * 0.0143% (0.06 1.00 0.02 0.02) = 0.014% HB3 PRO 112 - QG2 VAL 87 2.381% * 0.0122% (0.05 1.00 0.02 0.02) = 0.012% HB3 PRO 31 - QG2 VAL 122 2.381% * 0.0112% (0.05 1.00 0.02 0.02) = 0.011% HB2 LYS+ 44 - QG2 VAL 122 2.381% * 0.0112% (0.05 1.00 0.02 0.02) = 0.011% HG2 PRO 116 - QG2 VAL 87 2.381% * 0.0107% (0.04 1.00 0.02 0.02) = 0.011% HB2 PRO 112 - QG2 VAL 122 2.381% * 0.0079% (0.03 1.00 0.02 0.02) = 0.008% HB3 PRO 112 - QG2 VAL 122 2.381% * 0.0062% (0.03 1.00 0.02 0.02) = 0.006% HG2 PRO 116 - QG2 VAL 122 2.381% * 0.0054% (0.02 1.00 0.02 0.02) = 0.005% 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): 24 chemical-shift based assignments, quality = 0.0633, support = 0.79, residual support = 1.25: HG3 PRO 104 - HA VAL 73 4.167% * 22.4689% (0.05 1.00 1.64 4.67) = 22.469% kept HB3 GLU- 109 - HB2 SER 88 4.167% * 12.0083% (0.06 1.00 0.70 0.10) = 12.008% kept HB2 LYS+ 108 - HA VAL 73 4.167% * 10.0162% (0.06 1.00 0.60 0.50) = 10.016% kept T HB3 GLU- 75 - HA VAL 73 4.167% * 9.4346% (0.01 10.00 0.37 0.02) = 9.435% kept HG2 PRO 86 - HB2 SER 88 4.167% * 7.7899% (0.07 1.00 0.41 0.02) = 7.790% kept HB VAL 105 - HA VAL 73 4.167% * 7.6684% (0.02 1.00 1.80 1.61) = 7.668% kept HB VAL 13 - HB2 SER 88 4.167% * 7.0037% (0.05 1.00 0.56 0.02) = 7.004% kept HB2 LYS+ 108 - HB2 SER 88 4.167% * 6.5061% (0.21 1.00 0.12 0.02) = 6.506% kept HG3 PRO 104 - HB2 SER 88 4.167% * 5.9140% (0.17 1.00 0.13 0.02) = 5.914% kept T HB VAL 105 - HB2 SER 88 4.167% * 2.7900% (0.05 10.00 0.02 0.02) = 2.790% kept HB2 GLU- 18 - HA VAL 73 4.167% * 1.8639% (0.01 1.00 0.55 0.02) = 1.864% kept HB3 GLU- 109 - HA VAL 73 4.167% * 1.6269% (0.02 1.00 0.31 0.02) = 1.627% kept HB2 HIS+ 14 - HB2 SER 88 4.167% * 1.4694% (0.06 1.00 0.09 0.25) = 1.469% kept HB3 GLU- 75 - HB2 SER 88 4.167% * 1.1538% (0.03 1.00 0.14 0.02) = 1.154% kept T HB2 HIS+ 14 - HA VAL 73 4.167% * 0.9511% (0.02 10.00 0.02 0.02) = 0.951% HB VAL 122 - HB2 SER 88 4.167% * 0.3111% (0.06 1.00 0.02 0.02) = 0.311% HG3 PRO 116 - HB2 SER 88 4.167% * 0.2214% (0.04 1.00 0.02 0.21) = 0.221% HB2 GLU- 18 - HB2 SER 88 4.167% * 0.2214% (0.04 1.00 0.02 0.02) = 0.221% HG2 GLU- 64 - HB2 SER 88 4.167% * 0.1726% (0.03 1.00 0.02 0.02) = 0.173% HG2 PRO 86 - HA VAL 73 4.167% * 0.1167% (0.02 1.00 0.02 0.02) = 0.117% HB VAL 122 - HA VAL 73 4.167% * 0.0951% (0.02 1.00 0.02 0.02) = 0.095% HB VAL 13 - HA VAL 73 4.167% * 0.0762% (0.01 1.00 0.02 0.02) = 0.076% HG3 PRO 116 - HA VAL 73 4.167% * 0.0677% (0.01 1.00 0.02 0.02) = 0.068% HG2 GLU- 64 - HA VAL 73 4.167% * 0.0528% (0.01 1.00 0.02 0.02) = 0.053% Not enough quality. Peak unassigned. 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): 11 chemical-shift based assignments, quality = 0.437, support = 0.548, residual support = 0.177: HB2 LEU 67 - HB2 SER 88 9.091% * 30.3618% (0.54 0.66 0.02) = 30.362% kept HB ILE 100 - HB2 SER 88 9.091% * 25.8443% (0.54 0.56 0.15) = 25.844% kept HB3 MET 97 - HB2 SER 88 9.091% * 10.8729% (0.46 0.28 0.02) = 10.873% kept HG2 LYS+ 110 - HB2 SER 88 9.091% * 9.1277% (0.12 0.86 0.66) = 9.128% kept HG3 LYS+ 110 - HB2 SER 88 9.091% * 8.1969% (0.11 0.88 0.66) = 8.197% kept HG12 ILE 101 - HB2 SER 88 9.091% * 6.6789% (0.54 0.14 0.20) = 6.679% kept HG3 ARG+ 84 - HB2 SER 88 9.091% * 5.9859% (0.29 0.24 0.02) = 5.986% kept HG LEU 23 - HB2 SER 88 9.091% * 1.0115% (0.60 0.02 0.02) = 1.011% kept HB3 ARG+ 22 - HB2 SER 88 9.091% * 0.8794% (0.52 0.02 0.02) = 0.879% HG3 LYS+ 78 - HB2 SER 88 9.091% * 0.5429% (0.32 0.02 0.02) = 0.543% HB2 HIS+ 8 - HB2 SER 88 9.091% * 0.4978% (0.29 0.02 0.02) = 0.498% Peak 409 (0.92, 4.16, 62.64 ppm): 15 chemical-shift based assignments, quality = 0.287, support = 1.59, residual support = 7.36: QG2 VAL 87 - HB2 SER 88 6.667% * 46.0622% (0.26 2.96 15.95) = 46.062% kept HG13 ILE 68 - HB2 SER 88 6.667% * 11.5370% (0.28 0.68 0.02) = 11.537% kept QG2 VAL 99 - HB2 SER 88 6.667% * 8.3990% (0.56 0.24 0.02) = 8.399% kept HG12 ILE 68 - HB2 SER 88 6.667% * 7.0331% (0.18 0.66 0.02) = 7.033% kept HG LEU 74 - HB2 SER 88 6.667% * 6.8283% (0.36 0.31 0.02) = 6.828% kept QG2 VAL 105 - HB2 SER 88 6.667% * 4.9619% (0.18 0.46 0.02) = 4.962% kept QG2 VAL 73 - HB2 SER 88 6.667% * 4.6760% (0.56 0.14 0.02) = 4.676% kept QD1 LEU 67 - HB2 SER 88 6.667% * 4.4775% (0.23 0.31 0.02) = 4.477% kept QG1 VAL 47 - HB2 SER 88 6.667% * 4.0761% (0.19 0.34 0.02) = 4.076% kept QD1 LEU 17 - HB2 SER 88 6.667% * 0.5304% (0.43 0.02 0.02) = 0.530% QG1 VAL 105 - HB2 SER 88 6.667% * 0.5039% (0.41 0.02 0.02) = 0.504% HG12 ILE 29 - HB2 SER 88 6.667% * 0.2853% (0.23 0.02 0.02) = 0.285% QG2 VAL 62 - HB2 SER 88 6.667% * 0.2605% (0.21 0.02 0.02) = 0.260% QG2 ILE 29 - HB2 SER 88 6.667% * 0.2142% (0.18 0.02 0.02) = 0.214% HG3 LYS+ 63 - HB2 SER 88 6.667% * 0.1545% (0.13 0.02 0.02) = 0.155% 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): 22 chemical-shift based assignments, quality = 0.0381, support = 1.02, residual support = 2.33: HG LEU 74 - HA VAL 73 4.545% * 20.3078% (0.01 3.17 10.26) = 20.308% kept QG2 ILE 101 - HA VAL 73 4.545% * 15.3115% (0.03 0.88 0.49) = 15.311% kept QG2 ILE 48 - HA VAL 73 4.545% * 13.0348% (0.04 0.60 0.36) = 13.035% kept QD1 ILE 68 - HA VAL 73 4.545% * 11.6527% (0.06 0.30 0.58) = 11.653% kept QD1 LEU 9 - HA VAL 73 4.545% * 11.4570% (0.06 0.33 0.02) = 11.457% kept HG LEU 74 - HA LYS+ 110 4.545% * 9.1256% (0.02 0.74 0.58) = 9.126% kept HG3 LYS+ 66 - HA VAL 73 4.545% * 4.6969% (0.05 0.16 0.02) = 4.697% kept HG LEU 67 - HA VAL 73 4.545% * 3.3973% (0.01 0.50 0.02) = 3.397% kept QD1 ILE 68 - HA LYS+ 110 4.545% * 1.4718% (0.12 0.02 0.02) = 1.472% kept QD2 LEU 9 - HA LYS+ 110 4.545% * 1.4718% (0.12 0.02 0.02) = 1.472% kept QG2 VAL 40 - HA LYS+ 110 4.545% * 1.4331% (0.12 0.02 0.02) = 1.433% kept QD1 LEU 9 - HA LYS+ 110 4.545% * 1.3318% (0.11 0.02 0.02) = 1.332% kept HG3 LYS+ 66 - HA LYS+ 110 4.545% * 1.1349% (0.10 0.02 0.02) = 1.135% kept QG2 ILE 48 - HA LYS+ 110 4.545% * 0.8407% (0.07 0.02 0.02) = 0.841% QD2 LEU 9 - HA VAL 73 4.545% * 0.7665% (0.06 0.02 0.02) = 0.766% QG2 VAL 40 - HA VAL 73 4.545% * 0.7463% (0.06 0.02 0.02) = 0.746% QG2 ILE 101 - HA LYS+ 110 4.545% * 0.6658% (0.06 0.02 0.02) = 0.666% HB2 LEU 9 - HA LYS+ 110 4.545% * 0.2939% (0.02 0.02 0.02) = 0.294% HG2 PRO 59 - HA LYS+ 110 4.545% * 0.2939% (0.02 0.02 0.02) = 0.294% HG LEU 67 - HA LYS+ 110 4.545% * 0.2601% (0.02 0.02 0.02) = 0.260% HB2 LEU 9 - HA VAL 73 4.545% * 0.1530% (0.01 0.02 0.02) = 0.153% HG2 PRO 59 - HA VAL 73 4.545% * 0.1530% (0.01 0.02 0.02) = 0.153% Not enough quality. Peak unassigned. Peak 427 (0.55, 4.19, 62.60 ppm): 4 chemical-shift based assignments, quality = 0.0511, support = 0.547, residual support = 0.452: T QD1 ILE 101 - HA VAL 73 25.000% * 91.5725% (0.05 10.00 0.60 0.49) = 91.573% kept T QD1 ILE 101 - HA LYS+ 110 25.000% * 7.4295% (0.11 10.00 0.02 0.02) = 7.429% kept HG13 ILE 101 - HA LYS+ 110 25.000% * 0.7059% (0.11 1.00 0.02 0.02) = 0.706% HG13 ILE 101 - HA VAL 73 25.000% * 0.2921% (0.04 1.00 0.02 0.49) = 0.292% Not enough quality. Peak unassigned. Peak 439 (8.23, 0.92, 20.86 ppm): 24 chemical-shift based assignments, quality = 0.178, support = 2.0, residual support = 6.48: HN VAL 105 - QG2 VAL 105 4.167% * 36.1271% (0.22 2.69 12.27) = 36.127% kept HN THR 106 - QG2 VAL 105 4.167% * 24.6374% (0.12 3.26 8.23) = 24.637% kept HN GLU- 45 - QG2 VAL 87 4.167% * 14.4988% (0.21 1.15 0.10) = 14.499% kept HN LEU 67 - QG2 VAL 105 4.167% * 5.2190% (0.33 0.26 0.02) = 5.219% kept HN ASP- 115 - QG2 VAL 87 4.167% * 4.0333% (0.15 0.43 0.15) = 4.033% kept HN ALA 11 - QG2 VAL 87 4.167% * 3.5829% (0.25 0.24 0.02) = 3.583% kept HN GLU- 45 - QG2 VAL 105 4.167% * 3.0685% (0.14 0.37 0.02) = 3.068% kept HN ASP- 115 - QG2 VAL 105 4.167% * 1.5517% (0.10 0.25 0.02) = 1.552% kept HN SER 49 - QG2 VAL 87 4.167% * 0.6737% (0.55 0.02 0.02) = 0.674% HN GLY 58 - QG2 VAL 87 4.167% * 0.6502% (0.53 0.02 0.19) = 0.650% HN MET 118 - QG2 VAL 87 4.167% * 0.6219% (0.51 0.02 0.02) = 0.622% HN LYS+ 81 - QG2 VAL 87 4.167% * 0.6042% (0.50 0.02 0.02) = 0.604% HN LEU 67 - QG2 VAL 87 4.167% * 0.6042% (0.50 0.02 0.02) = 0.604% HN GLU- 12 - QG2 VAL 87 4.167% * 0.5394% (0.44 0.02 0.02) = 0.539% HN SER 49 - QG2 VAL 105 4.167% * 0.4425% (0.36 0.02 0.02) = 0.442% HN VAL 94 - QG2 VAL 87 4.167% * 0.4358% (0.36 0.02 0.02) = 0.436% HN GLY 58 - QG2 VAL 105 4.167% * 0.4270% (0.35 0.02 0.26) = 0.427% HN VAL 105 - QG2 VAL 87 4.167% * 0.4086% (0.33 0.02 0.02) = 0.409% HN MET 118 - QG2 VAL 105 4.167% * 0.4084% (0.33 0.02 0.02) = 0.408% HN LYS+ 81 - QG2 VAL 105 4.167% * 0.3968% (0.33 0.02 0.02) = 0.397% HN GLU- 12 - QG2 VAL 105 4.167% * 0.3543% (0.29 0.02 0.02) = 0.354% HN VAL 94 - QG2 VAL 105 4.167% * 0.2862% (0.23 0.02 0.82) = 0.286% HN THR 106 - QG2 VAL 87 4.167% * 0.2298% (0.19 0.02 0.02) = 0.230% HN ALA 11 - QG2 VAL 105 4.167% * 0.1984% (0.16 0.02 0.02) = 0.198% Peak 440 (4.80, 0.91, 20.89 ppm): 14 chemical-shift based assignments, quality = 0.263, support = 1.15, residual support = 1.15: HA ASN 89 - QG2 VAL 105 7.143% * 23.8085% (0.15 2.19 2.35) = 23.808% kept HA ASN 89 - QG2 VAL 87 7.143% * 23.4760% (0.20 1.63 2.34) = 23.476% kept HA ASP- 115 - QG2 VAL 87 7.143% * 21.5341% (0.37 0.81 0.15) = 21.534% kept HA PRO 116 - QG2 VAL 87 7.143% * 9.5339% (0.49 0.27 0.02) = 9.534% kept HA ASN 15 - QG2 VAL 87 7.143% * 6.9440% (0.46 0.21 0.02) = 6.944% kept HA MET 97 - QG2 VAL 87 7.143% * 4.3638% (0.18 0.33 0.02) = 4.364% kept HA MET 97 - QG2 VAL 105 7.143% * 3.3784% (0.14 0.34 0.02) = 3.378% kept HA GLU- 107 - QG2 VAL 105 7.143% * 3.1079% (0.35 0.12 0.02) = 3.108% kept HA LYS+ 113 - QG2 VAL 87 7.143% * 0.9902% (0.68 0.02 0.02) = 0.990% HA LYS+ 113 - QG2 VAL 105 7.143% * 0.7454% (0.51 0.02 0.02) = 0.745% HA GLU- 107 - QG2 VAL 87 7.143% * 0.6712% (0.46 0.02 0.02) = 0.671% HA PRO 116 - QG2 VAL 105 7.143% * 0.5413% (0.37 0.02 0.02) = 0.541% HA ASN 15 - QG2 VAL 105 7.143% * 0.5052% (0.35 0.02 0.02) = 0.505% HA ASP- 115 - QG2 VAL 105 7.143% * 0.4001% (0.27 0.02 0.02) = 0.400% Peak 442 (4.13, 0.92, 21.03 ppm): 16 chemical-shift based assignments, quality = 0.552, support = 2.2, residual support = 10.2: T HB2 SER 88 - QG2 VAL 87 6.250% * 61.1134% (0.59 10.00 2.96 15.95) = 61.113% kept T HB2 SER 88 - QG2 VAL 105 6.250% * 12.0848% (0.51 10.00 0.46 0.02) = 12.085% kept T HA LYS+ 44 - QG2 VAL 87 6.250% * 11.6934% (0.36 10.00 0.63 0.32) = 11.693% kept HA ASN 89 - QG2 VAL 105 6.250% * 6.7473% (0.60 1.00 2.19 2.35) = 6.747% kept HA ASN 89 - QG2 VAL 87 6.250% * 5.8669% (0.70 1.00 1.63 2.34) = 5.867% kept HB THR 106 - QG2 VAL 105 6.250% * 1.7399% (0.32 1.00 1.06 8.23) = 1.740% kept T HA LYS+ 44 - QG2 VAL 105 6.250% * 0.3189% (0.31 10.00 0.02 0.02) = 0.319% HD2 PRO 59 - QG2 VAL 87 6.250% * 0.0725% (0.70 1.00 0.02 0.02) = 0.073% HA2 GLY 71 - QG2 VAL 87 6.250% * 0.0717% (0.69 1.00 0.02 0.02) = 0.072% HD2 PRO 59 - QG2 VAL 105 6.250% * 0.0619% (0.60 1.00 0.02 0.02) = 0.062% HA2 GLY 71 - QG2 VAL 105 6.250% * 0.0612% (0.59 1.00 0.02 0.02) = 0.061% HA ARG+ 53 - QG2 VAL 87 6.250% * 0.0473% (0.46 1.00 0.02 0.02) = 0.047% HA ARG+ 53 - QG2 VAL 105 6.250% * 0.0404% (0.39 1.00 0.02 0.02) = 0.040% HB THR 106 - QG2 VAL 87 6.250% * 0.0385% (0.37 1.00 0.02 0.02) = 0.038% HA THR 46 - QG2 VAL 87 6.250% * 0.0226% (0.22 1.00 0.02 0.02) = 0.023% HA THR 46 - QG2 VAL 105 6.250% * 0.0193% (0.19 1.00 0.02 0.02) = 0.019% Peak 445 (4.02, 0.83, 20.87 ppm): 7 chemical-shift based assignments, quality = 0.722, support = 0.912, residual support = 0.576: HA ASN 89 - QG2 VAL 13 14.286% * 55.7578% (0.76 1.34 1.02) = 55.758% kept HB THR 38 - QG2 VAL 13 14.286% * 19.5201% (0.76 0.47 0.02) = 19.520% kept HA LYS+ 44 - QG2 VAL 13 14.286% * 12.1333% (0.73 0.30 0.02) = 12.133% kept HB3 SER 77 - QG2 VAL 13 14.286% * 10.6743% (0.57 0.34 0.02) = 10.674% kept HB THR 39 - QG2 VAL 13 14.286% * 1.4241% (0.23 0.11 0.02) = 1.424% kept HB3 SER 85 - QG2 VAL 13 14.286% * 0.2580% (0.23 0.02 0.02) = 0.258% HB3 HIS+ 5 - QG2 VAL 13 14.286% * 0.2324% (0.21 0.02 0.02) = 0.232% Peak 518 (8.47, 4.31, 61.93 ppm): 18 chemical-shift based assignments, quality = 0.295, support = 1.57, residual support = 3.48: O HN GLU- 107 - HA THR 106 5.556% * 93.4161% (0.30 10.0 1.65 3.72) = 93.416% kept HN LYS+ 113 - HA VAL 94 5.556% * 3.4381% (0.26 1.0 0.71 0.22) = 3.438% kept HN GLY 92 - HA VAL 94 5.556% * 1.6571% (0.27 1.0 0.33 0.02) = 1.657% kept HN GLU- 107 - HA ILE 29 5.556% * 0.1898% (0.51 1.0 0.02 0.02) = 0.190% HN GLY 92 - HA ILE 29 5.556% * 0.1848% (0.49 1.0 0.02 0.02) = 0.185% HN LYS+ 113 - HA ILE 29 5.556% * 0.1768% (0.47 1.0 0.02 0.02) = 0.177% HN GLY 92 - HA THR 106 5.556% * 0.1103% (0.29 1.0 0.02 0.02) = 0.110% HN GLU- 18 - HA ILE 29 5.556% * 0.1084% (0.29 1.0 0.02 0.02) = 0.108% HN LEU 74 - HA ILE 29 5.556% * 0.1084% (0.29 1.0 0.02 0.19) = 0.108% HN LYS+ 113 - HA THR 106 5.556% * 0.1055% (0.28 1.0 0.02 0.02) = 0.106% HN GLU- 107 - HA VAL 94 5.556% * 0.1033% (0.28 1.0 0.02 0.02) = 0.103% HN GLU- 10 - HA ILE 29 5.556% * 0.0719% (0.19 1.0 0.02 0.02) = 0.072% HN GLU- 18 - HA THR 106 5.556% * 0.0647% (0.17 1.0 0.02 0.02) = 0.065% HN LEU 74 - HA THR 106 5.556% * 0.0647% (0.17 1.0 0.02 0.75) = 0.065% HN GLU- 18 - HA VAL 94 5.556% * 0.0590% (0.16 1.0 0.02 0.02) = 0.059% HN LEU 74 - HA VAL 94 5.556% * 0.0590% (0.16 1.0 0.02 0.26) = 0.059% HN GLU- 10 - HA THR 106 5.556% * 0.0429% (0.11 1.0 0.02 0.02) = 0.043% HN GLU- 10 - HA VAL 94 5.556% * 0.0391% (0.10 1.0 0.02 0.02) = 0.039% Peak 519 (8.25, 4.31, 61.89 ppm): 33 chemical-shift based assignments, quality = 0.226, support = 2.49, residual support = 12.7: O HN THR 106 - HA THR 106 3.030% * 96.8501% (0.23 10.0 2.57 13.13) = 96.850% kept HN HIS+ 7 - HA THR 106 3.030% * 0.5063% (0.14 1.0 0.17 0.02) = 0.506% HN LEU 67 - HA THR 106 3.030% * 0.2792% (0.16 1.0 0.08 0.13) = 0.279% HN THR 106 - HA ILE 29 3.030% * 0.1576% (0.38 1.0 0.02 0.02) = 0.158% HN ASP- 115 - HA ILE 29 3.030% * 0.1535% (0.37 1.0 0.02 0.02) = 0.153% HN GLU- 12 - HA ILE 29 3.030% * 0.1274% (0.31 1.0 0.02 0.02) = 0.127% HN GLN 16 - HA ILE 29 3.030% * 0.1155% (0.28 1.0 0.02 0.61) = 0.115% HN LYS+ 81 - HA ILE 29 3.030% * 0.1093% (0.26 1.0 0.02 0.02) = 0.109% HN LEU 67 - HA ILE 29 3.030% * 0.1093% (0.26 1.0 0.02 0.02) = 0.109% HN MET 118 - HA ILE 29 3.030% * 0.1029% (0.25 1.0 0.02 0.02) = 0.103% HN HIS+ 7 - HA ILE 29 3.030% * 0.0965% (0.23 1.0 0.02 0.02) = 0.096% HN THR 106 - HA VAL 94 3.030% * 0.0951% (0.23 1.0 0.02 0.02) = 0.095% HN ASP- 115 - HA THR 106 3.030% * 0.0943% (0.23 1.0 0.02 0.02) = 0.094% HN ASP- 115 - HA VAL 94 3.030% * 0.0926% (0.22 1.0 0.02 0.12) = 0.093% HN GLY 58 - HA ILE 29 3.030% * 0.0900% (0.22 1.0 0.02 2.32) = 0.090% HN GLU- 12 - HA THR 106 3.030% * 0.0782% (0.19 1.0 0.02 0.02) = 0.078% HN GLU- 12 - HA VAL 94 3.030% * 0.0768% (0.19 1.0 0.02 0.02) = 0.077% HN GLN 16 - HA THR 106 3.030% * 0.0710% (0.17 1.0 0.02 0.02) = 0.071% HN GLN 16 - HA VAL 94 3.030% * 0.0696% (0.17 1.0 0.02 0.02) = 0.070% HN LYS+ 81 - HA THR 106 3.030% * 0.0671% (0.16 1.0 0.02 0.02) = 0.067% HN LEU 67 - HA VAL 94 3.030% * 0.0659% (0.16 1.0 0.02 0.02) = 0.066% HN LYS+ 81 - HA VAL 94 3.030% * 0.0659% (0.16 1.0 0.02 0.02) = 0.066% HN SER 49 - HA ILE 29 3.030% * 0.0654% (0.16 1.0 0.02 0.02) = 0.065% HN MET 118 - HA THR 106 3.030% * 0.0632% (0.15 1.0 0.02 0.02) = 0.063% HN MET 118 - HA VAL 94 3.030% * 0.0620% (0.15 1.0 0.02 0.02) = 0.062% HN HIS+ 7 - HA VAL 94 3.030% * 0.0582% (0.14 1.0 0.02 0.02) = 0.058% HN GLY 58 - HA THR 106 3.030% * 0.0553% (0.13 1.0 0.02 0.02) = 0.055% HN GLY 58 - HA VAL 94 3.030% * 0.0543% (0.13 1.0 0.02 0.02) = 0.054% HN SER 49 - HA THR 106 3.030% * 0.0402% (0.10 1.0 0.02 0.02) = 0.040% HN ASN 89 - HA ILE 29 3.030% * 0.0397% (0.10 1.0 0.02 0.02) = 0.040% HN SER 49 - HA VAL 94 3.030% * 0.0394% (0.10 1.0 0.02 0.02) = 0.039% HN ASN 89 - HA THR 106 3.030% * 0.0244% (0.06 1.0 0.02 0.10) = 0.024% HN ASN 89 - HA VAL 94 3.030% * 0.0239% (0.06 1.0 0.02 6.57) = 0.024% Peak 520 (8.07, 0.84, 20.68 ppm): 5 chemical-shift based assignments, quality = 0.303, support = 1.09, residual support = 0.0822: HN HIS+ 5 - QG2 VAL 13 20.000% * 62.6028% (0.34 1.42 0.02) = 62.603% kept HN LYS+ 110 - QG2 VAL 13 20.000% * 18.8070% (0.29 0.49 0.02) = 18.807% kept HN ASN 15 - QG2 VAL 13 20.000% * 17.5778% (0.21 0.66 0.37) = 17.578% kept HN CYS 121 - QG2 VAL 13 20.000% * 0.7667% (0.29 0.02 0.02) = 0.767% HN VAL 122 - QG2 VAL 13 20.000% * 0.2457% (0.09 0.02 0.02) = 0.246% 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 0.22 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): 39 chemical-shift based assignments, quality = 0.206, support = 1.65, residual support = 3.19: HA ASN 89 - HA VAL 94 2.564% * 45.2289% (0.21 1.00 2.88 6.57) = 45.229% kept HA ASN 89 - HA THR 106 2.564% * 15.1446% (0.31 1.00 0.66 0.10) = 15.145% kept HA ASN 89 - HA ILE 29 2.564% * 10.9655% (0.44 1.00 0.33 0.02) = 10.965% kept HA VAL 73 - HA VAL 94 2.564% * 7.1199% (0.05 1.00 1.80 1.98) = 7.120% kept HA VAL 73 - HA THR 106 2.564% * 6.4538% (0.08 1.00 1.12 0.96) = 6.454% kept HA LYS+ 44 - HA VAL 94 2.564% * 2.0101% (0.06 1.00 0.47 0.02) = 2.010% kept T HA GLU- 12 - HA THR 106 2.564% * 1.8087% (0.12 10.00 0.02 0.02) = 1.809% kept HA GLU- 64 - HA VAL 94 2.564% * 1.5880% (0.22 1.00 0.10 0.02) = 1.588% kept HA LYS+ 44 - HA THR 106 2.564% * 0.7221% (0.08 1.00 0.12 0.02) = 0.722% HA GLU- 64 - HA ILE 29 2.564% * 0.6770% (0.45 1.00 0.02 0.02) = 0.677% HA ASP- 82 - HA ILE 29 2.564% * 0.6665% (0.45 1.00 0.02 0.02) = 0.667% HA MET 126 - HA ILE 29 2.564% * 0.5530% (0.37 1.00 0.02 0.02) = 0.553% HA GLU- 109 - HA ILE 29 2.564% * 0.5278% (0.35 1.00 0.02 0.02) = 0.528% HB3 HIS+ 14 - HA ILE 29 2.564% * 0.4744% (0.32 1.00 0.02 0.02) = 0.474% HA GLU- 64 - HA THR 106 2.564% * 0.4724% (0.32 1.00 0.02 0.02) = 0.472% HA ASP- 82 - HA THR 106 2.564% * 0.4651% (0.31 1.00 0.02 0.02) = 0.465% HA ALA 11 - HA ILE 29 2.564% * 0.3910% (0.26 1.00 0.02 0.02) = 0.391% HA MET 126 - HA THR 106 2.564% * 0.3859% (0.26 1.00 0.02 0.02) = 0.386% HA GLU- 109 - HA THR 106 2.564% * 0.3683% (0.25 1.00 0.02 0.02) = 0.368% HB3 HIS+ 14 - HA THR 106 2.564% * 0.3310% (0.22 1.00 0.02 0.02) = 0.331% HA ASP- 82 - HA VAL 94 2.564% * 0.3195% (0.21 1.00 0.02 0.02) = 0.320% HA ALA 11 - HA THR 106 2.564% * 0.2728% (0.18 1.00 0.02 0.02) = 0.273% HA MET 126 - HA VAL 94 2.564% * 0.2651% (0.18 1.00 0.02 0.02) = 0.265% HA GLU- 12 - HA ILE 29 2.564% * 0.2592% (0.17 1.00 0.02 0.02) = 0.259% HA GLU- 109 - HA VAL 94 2.564% * 0.2530% (0.17 1.00 0.02 0.02) = 0.253% HB3 SER 49 - HA ILE 29 2.564% * 0.2356% (0.16 1.00 0.02 0.02) = 0.236% HB3 HIS+ 14 - HA VAL 94 2.564% * 0.2274% (0.15 1.00 0.02 0.02) = 0.227% HA LYS+ 110 - HA ILE 29 2.564% * 0.2132% (0.14 1.00 0.02 0.02) = 0.213% HA ALA 42 - HA ILE 29 2.564% * 0.1920% (0.13 1.00 0.02 0.02) = 0.192% HA ALA 11 - HA VAL 94 2.564% * 0.1874% (0.13 1.00 0.02 0.02) = 0.187% HA LYS+ 44 - HA ILE 29 2.564% * 0.1771% (0.12 1.00 0.02 0.02) = 0.177% HA VAL 73 - HA ILE 29 2.564% * 0.1652% (0.11 1.00 0.02 0.02) = 0.165% HB3 SER 49 - HA THR 106 2.564% * 0.1644% (0.11 1.00 0.02 0.02) = 0.164% HA LYS+ 110 - HA THR 106 2.564% * 0.1487% (0.10 1.00 0.02 0.02) = 0.149% HA ALA 42 - HA THR 106 2.564% * 0.1340% (0.09 1.00 0.02 0.02) = 0.134% HA GLU- 12 - HA VAL 94 2.564% * 0.1243% (0.08 1.00 0.02 0.02) = 0.124% HB3 SER 49 - HA VAL 94 2.564% * 0.1129% (0.08 1.00 0.02 0.02) = 0.113% HA LYS+ 110 - HA VAL 94 2.564% * 0.1022% (0.07 1.00 0.02 0.02) = 0.102% HA ALA 42 - HA VAL 94 2.564% * 0.0921% (0.06 1.00 0.02 0.02) = 0.092% Peak 527 (3.86, 0.91, 20.58 ppm): 11 chemical-shift based assignments, quality = 0.0312, support = 0.935, residual support = 1.52: O HA VAL 125 - QG2 VAL 125 9.091% * 93.2369% (0.03 10.0 1.00 1.00 1.63) = 93.237% kept T HA LYS+ 44 - QG2 VAL 125 9.091% * 2.0987% (0.04 1.0 10.00 0.02 0.02) = 2.099% kept HA ASN 89 - QG2 VAL 125 9.091% * 1.7094% (0.05 1.0 1.00 0.11 0.02) = 1.709% kept T HA ILE 48 - QG2 VAL 125 9.091% * 1.4567% (0.02 1.0 10.00 0.02 0.02) = 1.457% kept HA VAL 87 - QG2 VAL 125 9.091% * 0.3286% (0.06 1.0 1.00 0.02 0.02) = 0.329% HB3 SER 88 - QG2 VAL 125 9.091% * 0.3265% (0.05 1.0 1.00 0.02 0.02) = 0.326% HB2 SER 85 - QG2 VAL 125 9.091% * 0.2751% (0.05 1.0 1.00 0.02 0.02) = 0.275% HD3 PRO 86 - QG2 VAL 125 9.091% * 0.2262% (0.04 1.0 1.00 0.02 0.02) = 0.226% HD2 PRO 116 - QG2 VAL 125 9.091% * 0.1603% (0.03 1.0 1.00 0.02 0.02) = 0.160% HD2 PRO 86 - QG2 VAL 125 9.091% * 0.1354% (0.02 1.0 1.00 0.02 0.02) = 0.135% HB3 SER 77 - QG2 VAL 125 9.091% * 0.0461% (0.01 1.0 1.00 0.02 0.02) = 0.046% Not enough quality. Peak unassigned. Peak 528 (2.11, 0.91, 20.59 ppm): 26 chemical-shift based assignments, quality = 0.0823, support = 1.98, residual support = 12.2: O T HB VAL 87 - QG2 VAL 87 3.846% * 80.5945% (0.09 10.0 10.00 2.31 14.98) = 80.594% kept O HB VAL 125 - QG2 VAL 125 3.846% * 10.2249% (0.02 10.0 1.00 1.00 1.63) = 10.225% kept T HB VAL 47 - QG2 VAL 87 3.846% * 3.1865% (0.04 1.0 10.00 0.16 0.02) = 3.186% kept HG3 GLU- 56 - QG2 VAL 87 3.846% * 2.2997% (0.14 1.0 1.00 0.35 0.02) = 2.300% kept HB3 LEU 43 - QG2 VAL 87 3.846% * 1.6818% (0.14 1.0 1.00 0.26 0.02) = 1.682% kept HB3 GLU- 75 - QG2 VAL 87 3.846% * 1.1678% (0.14 1.0 1.00 0.18 0.02) = 1.168% kept T HB VAL 47 - QG2 VAL 125 3.846% * 0.1850% (0.02 1.0 10.00 0.02 0.02) = 0.185% HB VAL 65 - QG2 VAL 87 3.846% * 0.0860% (0.09 1.0 1.00 0.02 0.02) = 0.086% HG3 GLU- 56 - QG2 VAL 125 3.846% * 0.0594% (0.07 1.0 1.00 0.02 0.02) = 0.059% HB3 LEU 43 - QG2 VAL 125 3.846% * 0.0588% (0.06 1.0 1.00 0.02 0.02) = 0.059% HB3 GLU- 75 - QG2 VAL 125 3.846% * 0.0571% (0.06 1.0 1.00 0.02 0.02) = 0.057% HB VAL 125 - QG2 VAL 87 3.846% * 0.0453% (0.05 1.0 1.00 0.02 0.02) = 0.045% HB2 ASP- 28 - QG2 VAL 87 3.846% * 0.0410% (0.04 1.0 1.00 0.02 0.02) = 0.041% HB2 LEU 43 - QG2 VAL 87 3.846% * 0.0410% (0.04 1.0 1.00 0.02 0.02) = 0.041% HB VAL 65 - QG2 VAL 125 3.846% * 0.0388% (0.04 1.0 1.00 0.02 0.02) = 0.039% HB VAL 87 - QG2 VAL 125 3.846% * 0.0364% (0.04 1.0 1.00 0.02 0.02) = 0.036% HB2 LYS+ 110 - QG2 VAL 87 3.846% * 0.0331% (0.04 1.0 1.00 0.02 0.02) = 0.033% HA1 GLY 58 - QG2 VAL 87 3.846% * 0.0269% (0.03 1.0 1.00 0.02 0.19) = 0.027% HD3 LYS+ 110 - QG2 VAL 87 3.846% * 0.0263% (0.03 1.0 1.00 0.02 0.02) = 0.026% HG3 GLN 102 - QG2 VAL 87 3.846% * 0.0233% (0.03 1.0 1.00 0.02 0.02) = 0.023% HB2 ASP- 28 - QG2 VAL 125 3.846% * 0.0185% (0.02 1.0 1.00 0.02 0.02) = 0.019% HB2 LEU 43 - QG2 VAL 125 3.846% * 0.0185% (0.02 1.0 1.00 0.02 0.02) = 0.019% HB2 LYS+ 110 - QG2 VAL 125 3.846% * 0.0149% (0.02 1.0 1.00 0.02 0.02) = 0.015% HA1 GLY 58 - QG2 VAL 125 3.846% * 0.0121% (0.01 1.0 1.00 0.02 0.02) = 0.012% HD3 LYS+ 110 - QG2 VAL 125 3.846% * 0.0119% (0.01 1.0 1.00 0.02 0.02) = 0.012% HG3 GLN 102 - QG2 VAL 125 3.846% * 0.0105% (0.01 1.0 1.00 0.02 0.02) = 0.010% Peak 529 (1.87, 4.27, 61.86 ppm): 20 chemical-shift based assignments, quality = 0.155, support = 0.137, residual support = 0.0665: HB2 PRO 104 - HA THR 106 5.000% * 40.1068% (0.20 0.24 0.14) = 40.107% kept HB2 PRO 104 - HA SER 49 5.000% * 16.0278% (0.14 0.14 0.02) = 16.028% kept HG2 GLU- 18 - HA THR 106 5.000% * 7.3005% (0.08 0.11 0.02) = 7.301% kept HB3 GLN 16 - HA SER 49 5.000% * 6.6282% (0.07 0.11 0.02) = 6.628% kept HB3 ARG+ 84 - HA THR 106 5.000% * 3.7964% (0.22 0.02 0.02) = 3.796% kept HG3 LYS+ 120 - HA THR 106 5.000% * 3.5912% (0.21 0.02 0.02) = 3.591% kept HB3 LYS+ 72 - HA THR 106 5.000% * 3.1710% (0.19 0.02 0.02) = 3.171% kept HB3 ARG+ 84 - HA SER 49 5.000% * 2.6588% (0.16 0.02 0.02) = 2.659% kept HB2 GLU- 10 - HA THR 106 5.000% * 2.5448% (0.15 0.02 0.02) = 2.545% kept HG3 LYS+ 120 - HA SER 49 5.000% * 2.5151% (0.15 0.02 0.02) = 2.515% kept HB3 LYS+ 72 - HA SER 49 5.000% * 2.2208% (0.13 0.02 0.02) = 2.221% kept HB3 GLN 16 - HA THR 106 5.000% * 1.7834% (0.11 0.02 0.02) = 1.783% kept HB2 GLU- 10 - HA SER 49 5.000% * 1.7822% (0.11 0.02 0.02) = 1.782% kept HB2 LYS+ 66 - HA THR 106 5.000% * 1.3036% (0.08 0.02 0.02) = 1.304% kept HG2 GLU- 18 - HA SER 49 5.000% * 0.9130% (0.05 0.02 0.02) = 0.913% HB2 LYS+ 66 - HA SER 49 5.000% * 0.9130% (0.05 0.02 0.02) = 0.913% HG3 PRO 112 - HA THR 106 5.000% * 0.8067% (0.05 0.02 0.02) = 0.807% HB3 PRO 59 - HA THR 106 5.000% * 0.8067% (0.05 0.02 0.02) = 0.807% HB3 PRO 59 - HA SER 49 5.000% * 0.5649% (0.03 0.02 0.02) = 0.565% HG3 PRO 112 - HA SER 49 5.000% * 0.5649% (0.03 0.02 0.02) = 0.565% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 531 (1.18, 4.31, 62.00 ppm): 18 chemical-shift based assignments, quality = 0.421, support = 0.864, residual support = 6.12: O T QG2 THR 106 - HA THR 106 5.556% * 45.5343% (0.32 10.0 10.00 1.00 13.13) = 45.534% kept T HG LEU 74 - HA ILE 29 5.556% * 26.3547% (0.67 1.0 10.00 0.56 0.19) = 26.355% kept T HG LEU 74 - HA VAL 94 5.556% * 21.5023% (0.38 1.0 10.00 0.82 0.26) = 21.502% kept HG LEU 74 - HA THR 106 5.556% * 4.5127% (0.33 1.0 1.00 1.92 0.75) = 4.513% kept T QG2 THR 106 - HA ILE 29 5.556% * 0.9205% (0.65 1.0 10.00 0.02 0.02) = 0.920% T QG2 THR 106 - HA VAL 94 5.556% * 0.5123% (0.36 1.0 10.00 0.02 0.02) = 0.512% HB3 LYS+ 66 - HA ILE 29 5.556% * 0.0971% (0.69 1.0 1.00 0.02 0.02) = 0.097% HB2 LEU 74 - HA ILE 29 5.556% * 0.0964% (0.69 1.0 1.00 0.02 0.19) = 0.096% HB ILE 68 - HA ILE 29 5.556% * 0.0668% (0.48 1.0 1.00 0.02 0.02) = 0.067% HG3 PRO 59 - HA ILE 29 5.556% * 0.0629% (0.45 1.0 1.00 0.02 0.11) = 0.063% HB3 LYS+ 66 - HA VAL 94 5.556% * 0.0540% (0.38 1.0 1.00 0.02 0.02) = 0.054% HB2 LEU 74 - HA VAL 94 5.556% * 0.0537% (0.38 1.0 1.00 0.02 0.26) = 0.054% HB3 LYS+ 66 - HA THR 106 5.556% * 0.0480% (0.34 1.0 1.00 0.02 0.02) = 0.048% HB2 LEU 74 - HA THR 106 5.556% * 0.0477% (0.34 1.0 1.00 0.02 0.75) = 0.048% HB ILE 68 - HA VAL 94 5.556% * 0.0372% (0.26 1.0 1.00 0.02 0.02) = 0.037% HG3 PRO 59 - HA VAL 94 5.556% * 0.0350% (0.25 1.0 1.00 0.02 0.85) = 0.035% HB ILE 68 - HA THR 106 5.556% * 0.0331% (0.24 1.0 1.00 0.02 0.02) = 0.033% HG3 PRO 59 - HA THR 106 5.556% * 0.0311% (0.22 1.0 1.00 0.02 0.02) = 0.031% Peak 533 (0.94, 4.31, 61.90 ppm): 30 chemical-shift based assignments, quality = 0.4, support = 4.88, residual support = 61.6: O HG12 ILE 29 - HA ILE 29 3.333% * 48.4228% (0.42 10.0 5.05 65.06) = 48.423% kept O QG2 ILE 29 - HA ILE 29 3.333% * 46.2150% (0.40 10.0 5.19 65.06) = 46.215% kept HG LEU 74 - HA THR 106 3.333% * 2.0134% (0.18 1.0 1.92 0.75) = 2.013% kept QD1 LEU 17 - HA ILE 29 3.333% * 1.0345% (0.38 1.0 0.47 5.11) = 1.034% kept HG LEU 74 - HA ILE 29 3.333% * 0.9191% (0.29 1.0 0.56 0.19) = 0.919% HG LEU 74 - HA VAL 94 3.333% * 0.7492% (0.16 1.0 0.82 0.26) = 0.749% QG2 VAL 62 - HA ILE 29 3.333% * 0.0479% (0.42 1.0 0.02 0.02) = 0.048% HG12 ILE 68 - HA ILE 29 3.333% * 0.0462% (0.40 1.0 0.02 0.02) = 0.046% QG1 VAL 105 - HA ILE 29 3.333% * 0.0451% (0.39 1.0 0.02 0.02) = 0.045% HG3 LYS+ 63 - HA ILE 29 3.333% * 0.0424% (0.37 1.0 0.02 0.02) = 0.042% HG12 ILE 29 - HA THR 106 3.333% * 0.0306% (0.27 1.0 0.02 0.02) = 0.031% QG2 VAL 62 - HA THR 106 3.333% * 0.0303% (0.27 1.0 0.02 0.02) = 0.030% HG12 ILE 68 - HA THR 106 3.333% * 0.0292% (0.26 1.0 0.02 0.02) = 0.029% QG2 ILE 29 - HA THR 106 3.333% * 0.0292% (0.26 1.0 0.02 0.02) = 0.029% QG1 VAL 105 - HA THR 106 3.333% * 0.0285% (0.25 1.0 0.02 8.23) = 0.029% QD1 LEU 17 - HA THR 106 3.333% * 0.0277% (0.24 1.0 0.02 0.02) = 0.028% HG12 ILE 29 - HA VAL 94 3.333% * 0.0269% (0.24 1.0 0.02 0.02) = 0.027% HG3 LYS+ 63 - HA THR 106 3.333% * 0.0268% (0.23 1.0 0.02 0.02) = 0.027% QG2 VAL 62 - HA VAL 94 3.333% * 0.0266% (0.23 1.0 0.02 0.02) = 0.027% QG2 ILE 29 - HA VAL 94 3.333% * 0.0257% (0.22 1.0 0.02 0.02) = 0.026% HG12 ILE 68 - HA VAL 94 3.333% * 0.0257% (0.22 1.0 0.02 0.02) = 0.026% QG1 VAL 105 - HA VAL 94 3.333% * 0.0251% (0.22 1.0 0.02 0.82) = 0.025% QD1 LEU 17 - HA VAL 94 3.333% * 0.0244% (0.21 1.0 0.02 0.02) = 0.024% HG3 LYS+ 63 - HA VAL 94 3.333% * 0.0236% (0.21 1.0 0.02 0.02) = 0.024% QG2 VAL 99 - HA ILE 29 3.333% * 0.0201% (0.18 1.0 0.02 0.02) = 0.020% QG2 VAL 73 - HA ILE 29 3.333% * 0.0183% (0.16 1.0 0.02 0.02) = 0.018% QG2 VAL 99 - HA THR 106 3.333% * 0.0127% (0.11 1.0 0.02 0.02) = 0.013% QG2 VAL 73 - HA THR 106 3.333% * 0.0116% (0.10 1.0 0.02 0.96) = 0.012% QG2 VAL 99 - HA VAL 94 3.333% * 0.0112% (0.10 1.0 0.02 0.02) = 0.011% QG2 VAL 73 - HA VAL 94 3.333% * 0.0102% (0.09 1.0 0.02 1.98) = 0.010% Peak 538 (0.85, 0.84, 20.67 ppm): 1 diagonal assignment: QG2 VAL 13 - QG2 VAL 13 (0.32) kept Peak 539 (0.71, 0.80, 61.61 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 545 (9.04, 4.31, 61.64 ppm): 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 = 0.218, support = 2.9, residual support = 11.4: O HN LYS+ 60 - HA PRO 59 8.333% * 92.7240% (0.21 10.0 3.05 12.33) = 92.724% kept HN ASN 57 - HA PRO 59 8.333% * 6.8949% (0.30 1.0 1.06 0.02) = 6.895% 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% * 0.0516% (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 0.75) = 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): 26 chemical-shift based assignments, quality = 0.42, support = 3.92, residual support = 15.3: O HN SER 49 - HA SER 49 3.846% * 91.1663% (0.44 10.0 4.20 16.73) = 91.166% kept HN GLY 58 - HA PRO 59 3.846% * 4.3157% (0.23 1.0 1.81 0.02) = 4.316% kept HN GLY 58 - HA SER 49 3.846% * 2.5285% (0.45 1.0 0.54 0.02) = 2.529% kept HN LYS+ 81 - HA SER 49 3.846% * 0.8768% (0.43 1.0 0.20 0.02) = 0.877% HN MET 118 - HA SER 49 3.846% * 0.3425% (0.44 1.0 0.08 0.02) = 0.342% HN LEU 67 - HA SER 49 3.846% * 0.0898% (0.43 1.0 0.02 0.02) = 0.090% HN GLU- 12 - HA SER 49 3.846% * 0.0834% (0.40 1.0 0.02 0.02) = 0.083% HN VAL 94 - HA SER 49 3.846% * 0.0489% (0.23 1.0 0.02 0.02) = 0.049% HN SER 49 - HA PRO 59 3.846% * 0.0470% (0.23 1.0 0.02 0.02) = 0.047% HN MET 118 - HA PRO 59 3.846% * 0.0470% (0.23 1.0 0.02 0.02) = 0.047% HN LEU 67 - HA PRO 59 3.846% * 0.0462% (0.22 1.0 0.02 0.02) = 0.046% HN LYS+ 81 - HA PRO 59 3.846% * 0.0462% (0.22 1.0 0.02 0.02) = 0.046% HN VAL 105 - HA SER 49 3.846% * 0.0453% (0.22 1.0 0.02 0.02) = 0.045% HN GLU- 12 - HA PRO 59 3.846% * 0.0430% (0.21 1.0 0.02 0.02) = 0.043% HN THR 106 - HA SER 49 3.846% * 0.0417% (0.20 1.0 0.02 0.02) = 0.042% HN ASP- 115 - HA SER 49 3.846% * 0.0349% (0.17 1.0 0.02 0.02) = 0.035% HN ALA 11 - HA SER 49 3.846% * 0.0317% (0.15 1.0 0.02 0.02) = 0.032% HN GLU- 45 - HA SER 49 3.846% * 0.0259% (0.12 1.0 0.02 0.02) = 0.026% HN VAL 94 - HA PRO 59 3.846% * 0.0252% (0.12 1.0 0.02 0.85) = 0.025% HN VAL 105 - HA PRO 59 3.846% * 0.0233% (0.11 1.0 0.02 0.02) = 0.023% HN THR 106 - HA PRO 59 3.846% * 0.0215% (0.10 1.0 0.02 0.02) = 0.021% HN ASP- 115 - HA PRO 59 3.846% * 0.0180% (0.09 1.0 0.02 0.02) = 0.018% HN ALA 11 - HA PRO 59 3.846% * 0.0163% (0.08 1.0 0.02 0.02) = 0.016% HN GLN 16 - HA SER 49 3.846% * 0.0144% (0.07 1.0 0.02 0.02) = 0.014% HN GLU- 45 - HA PRO 59 3.846% * 0.0133% (0.06 1.0 0.02 0.02) = 0.013% HN GLN 16 - HA PRO 59 3.846% * 0.0074% (0.04 1.0 0.02 0.02) = 0.007% 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): 12 chemical-shift based assignments, quality = 0.29, support = 1.72, residual support = 11.8: O HB2 SER 49 - HA SER 49 8.333% * 69.7137% (0.21 10.0 1.00 2.19 16.73) = 69.714% kept T HA LYS+ 44 - HA SER 49 8.333% * 14.5123% (0.50 1.0 10.00 0.17 0.02) = 14.512% kept HA ASN 89 - HA SER 49 8.333% * 11.9660% (0.55 1.0 1.00 1.29 1.39) = 11.966% kept HA ASN 89 - HA PRO 59 8.333% * 2.4771% (0.26 1.0 1.00 0.57 0.02) = 2.477% kept T HA LYS+ 44 - HA PRO 59 8.333% * 0.7904% (0.24 1.0 10.00 0.02 0.02) = 0.790% HB3 SER 85 - HA SER 49 8.333% * 0.1841% (0.55 1.0 1.00 0.02 0.02) = 0.184% HB3 SER 77 - HA SER 49 8.333% * 0.0980% (0.29 1.0 1.00 0.02 0.02) = 0.098% HB3 SER 85 - HA PRO 59 8.333% * 0.0864% (0.26 1.0 1.00 0.02 0.02) = 0.086% HB THR 38 - HA SER 49 8.333% * 0.0634% (0.19 1.0 1.00 0.02 0.02) = 0.063% HB3 SER 77 - HA PRO 59 8.333% * 0.0460% (0.14 1.0 1.00 0.02 0.02) = 0.046% HB2 SER 49 - HA PRO 59 8.333% * 0.0327% (0.10 1.0 1.00 0.02 0.02) = 0.033% HB THR 38 - HA PRO 59 8.333% * 0.0298% (0.09 1.0 1.00 0.02 0.02) = 0.030% 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): 54 chemical-shift based assignments, quality = 0.129, support = 0.502, residual support = 0.683: T HB3 GLU- 45 - HA PRO 59 1.852% * 32.9075% (0.21 10.00 0.25 0.02) = 32.908% kept T HB2 GLU- 45 - HA PRO 59 1.852% * 21.6218% (0.14 10.00 0.25 0.02) = 21.622% kept HB3 GLU- 107 - HA THR 106 1.852% * 12.2990% (0.09 1.00 2.10 3.72) = 12.299% kept T HB3 GLU- 45 - HA SER 49 1.852% * 9.0150% (0.07 10.00 0.22 0.02) = 9.015% kept T HB2 GLU- 45 - HA SER 49 1.852% * 7.5736% (0.04 10.00 0.28 0.02) = 7.574% kept HB2 PRO 112 - HA PRO 59 1.852% * 3.6121% (0.14 1.00 0.41 0.02) = 3.612% kept HB VAL 105 - HA THR 106 1.852% * 2.5494% (0.02 1.00 1.94 8.23) = 2.549% kept T HB3 GLU- 75 - HA SER 49 1.852% * 2.2902% (0.04 10.00 0.09 0.02) = 2.290% kept T HB3 GLU- 75 - HA PRO 59 1.852% * 1.6372% (0.13 10.00 0.02 0.02) = 1.637% kept HB VAL 62 - HA SER 49 1.852% * 0.7169% (0.06 1.00 0.19 0.13) = 0.717% HG3 PRO 86 - HA SER 49 1.852% * 0.5837% (0.06 1.00 0.15 0.02) = 0.584% HB3 LYS+ 110 - HA THR 106 1.852% * 0.5795% (0.09 1.00 0.10 0.02) = 0.580% T HB2 HIS+ 14 - HA PRO 59 1.852% * 0.5688% (0.05 10.00 0.02 0.02) = 0.569% HB3 GLU- 107 - HA PRO 59 1.852% * 0.2849% (0.23 1.00 0.02 0.02) = 0.285% HB3 LYS+ 110 - HA PRO 59 1.852% * 0.2849% (0.23 1.00 0.02 0.02) = 0.285% HB VAL 62 - HA PRO 59 1.852% * 0.2493% (0.20 1.00 0.02 0.02) = 0.249% HG3 PRO 86 - HA PRO 59 1.852% * 0.2493% (0.20 1.00 0.02 0.02) = 0.249% HB2 LYS+ 44 - HA PRO 59 1.852% * 0.2087% (0.17 1.00 0.02 0.02) = 0.209% HB3 PRO 31 - HA PRO 59 1.852% * 0.2087% (0.17 1.00 0.02 0.02) = 0.209% HB3 GLU- 10 - HA PRO 59 1.852% * 0.1974% (0.16 1.00 0.02 0.02) = 0.197% T HB2 HIS+ 14 - HA SER 49 1.852% * 0.1760% (0.01 10.00 0.02 0.02) = 0.176% HB3 PRO 112 - HA PRO 59 1.852% * 0.1512% (0.12 1.00 0.02 0.02) = 0.151% HG2 PRO 116 - HA PRO 59 1.852% * 0.1399% (0.11 1.00 0.02 0.02) = 0.140% HB3 GLU- 45 - HA THR 106 1.852% * 0.1088% (0.09 1.00 0.02 0.02) = 0.109% HG3 PRO 86 - HA THR 106 1.852% * 0.1023% (0.08 1.00 0.02 0.02) = 0.102% HB VAL 62 - HA THR 106 1.852% * 0.1023% (0.08 1.00 0.02 0.02) = 0.102% HG2 GLU- 64 - HA PRO 59 1.852% * 0.0980% (0.08 1.00 0.02 0.36) = 0.098% HB3 GLU- 107 - HA SER 49 1.852% * 0.0881% (0.07 1.00 0.02 0.02) = 0.088% HB3 LYS+ 110 - HA SER 49 1.852% * 0.0881% (0.07 1.00 0.02 0.02) = 0.088% HB2 LYS+ 44 - HA THR 106 1.852% * 0.0856% (0.07 1.00 0.02 0.02) = 0.086% HB3 PRO 31 - HA THR 106 1.852% * 0.0856% (0.07 1.00 0.02 0.02) = 0.086% HB3 GLU- 10 - HA THR 106 1.852% * 0.0810% (0.06 1.00 0.02 0.02) = 0.081% HB2 GLU- 18 - HA PRO 59 1.852% * 0.0799% (0.06 1.00 0.02 0.02) = 0.080% HB2 GLU- 45 - HA THR 106 1.852% * 0.0715% (0.06 1.00 0.02 0.02) = 0.072% HB2 PRO 112 - HA THR 106 1.852% * 0.0715% (0.06 1.00 0.02 0.02) = 0.072% HB3 GLU- 75 - HA THR 106 1.852% * 0.0672% (0.05 1.00 0.02 0.02) = 0.067% HB2 LYS+ 44 - HA SER 49 1.852% * 0.0646% (0.05 1.00 0.02 0.02) = 0.065% HB3 PRO 31 - HA SER 49 1.852% * 0.0646% (0.05 1.00 0.02 0.02) = 0.065% HB VAL 105 - HA PRO 59 1.852% * 0.0640% (0.05 1.00 0.02 0.02) = 0.064% HB3 PRO 112 - HA THR 106 1.852% * 0.0620% (0.05 1.00 0.02 0.02) = 0.062% HB3 GLU- 10 - HA SER 49 1.852% * 0.0611% (0.05 1.00 0.02 0.02) = 0.061% HG2 PRO 116 - HA THR 106 1.852% * 0.0574% (0.05 1.00 0.02 0.02) = 0.057% HB2 PRO 112 - HA SER 49 1.852% * 0.0539% (0.04 1.00 0.02 0.02) = 0.054% HB3 PRO 112 - HA SER 49 1.852% * 0.0468% (0.04 1.00 0.02 0.02) = 0.047% HG2 PRO 86 - HA PRO 59 1.852% * 0.0443% (0.04 1.00 0.02 0.02) = 0.044% HG2 PRO 116 - HA SER 49 1.852% * 0.0433% (0.03 1.00 0.02 0.02) = 0.043% HG2 GLU- 64 - HA THR 106 1.852% * 0.0402% (0.03 1.00 0.02 0.02) = 0.040% HB2 GLU- 18 - HA THR 106 1.852% * 0.0328% (0.03 1.00 0.02 0.02) = 0.033% HG2 GLU- 64 - HA SER 49 1.852% * 0.0303% (0.02 1.00 0.02 0.02) = 0.030% HB2 GLU- 18 - HA SER 49 1.852% * 0.0247% (0.02 1.00 0.02 0.02) = 0.025% HB2 HIS+ 14 - HA THR 106 1.852% * 0.0233% (0.02 1.00 0.02 0.02) = 0.023% HB VAL 105 - HA SER 49 1.852% * 0.0198% (0.02 1.00 0.02 0.02) = 0.020% HG2 PRO 86 - HA THR 106 1.852% * 0.0182% (0.01 1.00 0.02 0.02) = 0.018% HG2 PRO 86 - HA SER 49 1.852% * 0.0137% (0.01 1.00 0.02 0.02) = 0.014% Not enough quality. Peak unassigned. Peak 554 (1.96, 4.30, 61.72 ppm): 11 chemical-shift based assignments, quality = 0.0783, support = 0.289, residual support = 0.159: HB2 LYS+ 108 - HA THR 106 9.091% * 54.9167% (0.05 0.51 0.26) = 54.917% kept HB3 GLU- 109 - HA THR 106 9.091% * 6.8341% (0.15 0.02 0.02) = 6.834% kept HB VAL 122 - HA THR 106 9.091% * 6.7287% (0.14 0.02 0.02) = 6.729% kept HB VAL 13 - HA THR 106 9.091% * 6.4362% (0.14 0.02 0.02) = 6.436% kept HG3 PRO 116 - HA THR 106 9.091% * 6.2529% (0.13 0.02 0.02) = 6.253% kept HG3 PRO 104 - HA THR 106 9.091% * 5.5829% (0.12 0.02 0.14) = 5.583% kept HG3 PRO 31 - HA THR 106 9.091% * 4.2289% (0.09 0.02 0.02) = 4.229% kept HB3 LYS+ 55 - HA THR 106 9.091% * 3.9473% (0.08 0.02 0.02) = 3.947% kept HB2 GLU- 75 - HA THR 106 9.091% * 2.6167% (0.06 0.02 0.02) = 2.617% kept HG2 PRO 112 - HA THR 106 9.091% * 1.3798% (0.03 0.02 0.02) = 1.380% kept HB2 PRO 116 - HA THR 106 9.091% * 1.0758% (0.02 0.02 0.02) = 1.076% kept Not enough quality. Peak unassigned. Peak 555 (1.04, 0.89, 20.35 ppm): 2 chemical-shift based assignments, quality = 0.573, support = 1.37, residual support = 2.59: T HG LEU 74 - QG2 VAL 125 50.000% * 99.9562% (0.57 10.00 1.37 2.59) = 99.956% kept HG13 ILE 100 - QG2 VAL 125 50.000% * 0.0438% (0.17 1.00 0.02 0.02) = 0.044% 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): 42 chemical-shift based assignments, quality = 0.114, support = 0.824, residual support = 0.391: HB ILE 101 - HA PRO 59 2.381% * 23.4633% (0.19 1.00 1.09 0.70) = 23.463% kept QD1 ILE 29 - HA PRO 59 2.381% * 14.7597% (0.18 1.00 0.75 0.11) = 14.760% kept QG1 VAL 94 - HA PRO 59 2.381% * 12.5440% (0.09 1.00 1.30 0.85) = 12.544% kept HG LEU 74 - HA THR 106 2.381% * 9.5166% (0.04 1.00 1.92 0.75) = 9.517% kept T QG1 VAL 94 - HA THR 106 2.381% * 8.9374% (0.04 10.00 0.20 0.02) = 8.937% kept QG2 ILE 100 - HA PRO 59 2.381% * 7.2102% (0.09 1.00 0.68 0.37) = 7.210% kept QG1 VAL 13 - HA PRO 59 2.381% * 4.7446% (0.15 1.00 0.28 0.02) = 4.745% kept HG LEU 74 - HA SER 49 2.381% * 3.3444% (0.05 1.00 0.58 0.02) = 3.344% kept QD1 ILE 29 - HA SER 49 2.381% * 2.7071% (0.10 1.00 0.25 0.02) = 2.707% kept T HG2 LYS+ 117 - HA THR 106 2.381% * 2.4209% (0.11 10.00 0.02 0.02) = 2.421% kept T HG3 LYS+ 117 - HA THR 106 2.381% * 2.2951% (0.10 10.00 0.02 0.02) = 2.295% kept QG1 VAL 13 - HA SER 49 2.381% * 1.9141% (0.08 1.00 0.21 0.02) = 1.914% kept HG2 LYS+ 117 - HA PRO 59 2.381% * 0.5139% (0.23 1.00 0.02 0.02) = 0.514% QG2 VAL 13 - HA PRO 59 2.381% * 0.5139% (0.23 1.00 0.02 0.02) = 0.514% HG3 LYS+ 117 - HA PRO 59 2.381% * 0.4872% (0.22 1.00 0.02 0.02) = 0.487% T QD2 LEU 17 - HA THR 106 2.381% * 0.4802% (0.02 10.00 0.02 0.02) = 0.480% HG2 LYS+ 117 - HA SER 49 2.381% * 0.2807% (0.12 1.00 0.02 0.02) = 0.281% QG2 VAL 13 - HA SER 49 2.381% * 0.2807% (0.12 1.00 0.02 0.02) = 0.281% HG3 LYS+ 117 - HA SER 49 2.381% * 0.2661% (0.12 1.00 0.02 0.02) = 0.266% QD2 LEU 17 - HA SER 49 2.381% * 0.2630% (0.02 1.00 0.09 0.02) = 0.263% QG2 VAL 13 - HA THR 106 2.381% * 0.2421% (0.11 1.00 0.02 0.02) = 0.242% HB ILE 101 - HA SER 49 2.381% * 0.2350% (0.10 1.00 0.02 0.02) = 0.235% QD1 LEU 90 - HA PRO 59 2.381% * 0.2309% (0.10 1.00 0.02 0.02) = 0.231% HG2 LYS+ 113 - HA PRO 59 2.381% * 0.2309% (0.10 1.00 0.02 0.02) = 0.231% HG LEU 74 - HA PRO 59 2.381% * 0.2099% (0.09 1.00 0.02 0.02) = 0.210% HB ILE 101 - HA THR 106 2.381% * 0.2027% (0.09 1.00 0.02 0.02) = 0.203% QD1 ILE 29 - HA THR 106 2.381% * 0.1854% (0.08 1.00 0.02 0.02) = 0.185% QG1 VAL 13 - HA THR 106 2.381% * 0.1570% (0.07 1.00 0.02 0.02) = 0.157% HG3 LYS+ 113 - HA PRO 59 2.381% * 0.1432% (0.06 1.00 0.02 0.02) = 0.143% QD1 LEU 90 - HA SER 49 2.381% * 0.1261% (0.06 1.00 0.02 0.02) = 0.126% HG2 LYS+ 113 - HA SER 49 2.381% * 0.1261% (0.06 1.00 0.02 0.02) = 0.126% QG2 ILE 100 - HA SER 49 2.381% * 0.1156% (0.05 1.00 0.02 0.02) = 0.116% QD1 LEU 90 - HA THR 106 2.381% * 0.1088% (0.05 1.00 0.02 0.02) = 0.109% HG2 LYS+ 113 - HA THR 106 2.381% * 0.1088% (0.05 1.00 0.02 0.02) = 0.109% QG1 VAL 94 - HA SER 49 2.381% * 0.1056% (0.05 1.00 0.02 0.02) = 0.106% QD2 LEU 17 - HA PRO 59 2.381% * 0.1019% (0.05 1.00 0.02 0.02) = 0.102% QG2 ILE 100 - HA THR 106 2.381% * 0.0997% (0.04 1.00 0.02 0.02) = 0.100% QG2 VAL 122 - HA PRO 59 2.381% * 0.0902% (0.04 1.00 0.02 0.02) = 0.090% HG3 LYS+ 113 - HA SER 49 2.381% * 0.0782% (0.03 1.00 0.02 0.02) = 0.078% HG3 LYS+ 113 - HA THR 106 2.381% * 0.0675% (0.03 1.00 0.02 0.02) = 0.067% QG2 VAL 122 - HA SER 49 2.381% * 0.0493% (0.02 1.00 0.02 0.02) = 0.049% QG2 VAL 122 - HA THR 106 2.381% * 0.0425% (0.02 1.00 0.02 0.02) = 0.042% Not enough quality. Peak unassigned. Peak 558 (0.70, 4.26, 61.76 ppm): 36 chemical-shift based assignments, quality = 0.169, support = 1.47, residual support = 8.03: O HG2 PRO 59 - HA PRO 59 2.778% * 68.2884% (0.18 10.0 1.00 0.61) = 68.288% kept QG2 ILE 48 - HA SER 49 2.778% * 19.3518% (0.14 1.0 3.73 39.04) = 19.352% kept QG2 ILE 101 - HA PRO 59 2.778% * 5.6431% (0.16 1.0 0.95 0.70) = 5.643% kept HB2 LEU 9 - HA PRO 59 2.778% * 2.7353% (0.18 1.0 0.40 0.51) = 2.735% kept QD1 ILE 19 - HA PRO 59 2.778% * 1.5013% (0.13 1.0 0.32 0.02) = 1.501% kept QG2 ILE 48 - HA PRO 59 2.778% * 0.4468% (0.14 1.0 0.09 0.02) = 0.447% HG LEU 67 - HA PRO 59 2.778% * 0.1363% (0.18 1.0 0.02 0.02) = 0.136% HG2 PRO 59 - HA SER 49 2.778% * 0.1358% (0.18 1.0 0.02 0.02) = 0.136% HB2 LEU 9 - HA SER 49 2.778% * 0.1358% (0.18 1.0 0.02 0.02) = 0.136% HG LEU 67 - HA SER 49 2.778% * 0.1355% (0.18 1.0 0.02 0.02) = 0.136% QG2 ILE 101 - HA SER 49 2.778% * 0.1178% (0.16 1.0 0.02 0.02) = 0.118% HB2 LEU 9 - HA THR 106 2.778% * 0.1032% (0.14 1.0 0.02 0.02) = 0.103% HG2 PRO 59 - HA THR 106 2.778% * 0.1032% (0.14 1.0 0.02 0.02) = 0.103% HG LEU 67 - HA THR 106 2.778% * 0.1029% (0.14 1.0 0.02 0.13) = 0.103% QD1 ILE 19 - HA SER 49 2.778% * 0.0933% (0.13 1.0 0.02 0.02) = 0.093% QG2 ILE 101 - HA THR 106 2.778% * 0.0895% (0.12 1.0 0.02 0.02) = 0.089% QG2 VAL 94 - HA PRO 59 2.778% * 0.0828% (0.11 1.0 0.02 0.85) = 0.083% QG2 VAL 94 - HA SER 49 2.778% * 0.0824% (0.11 1.0 0.02 0.02) = 0.082% QG2 ILE 48 - HA THR 106 2.778% * 0.0789% (0.11 1.0 0.02 0.02) = 0.079% HG12 ILE 19 - HA PRO 59 2.778% * 0.0773% (0.10 1.0 0.02 0.02) = 0.077% HG12 ILE 19 - HA SER 49 2.778% * 0.0769% (0.10 1.0 0.02 0.02) = 0.077% QD1 ILE 19 - HA THR 106 2.778% * 0.0709% (0.10 1.0 0.02 0.02) = 0.071% QG2 VAL 94 - HA THR 106 2.778% * 0.0626% (0.08 1.0 0.02 0.02) = 0.063% HG12 ILE 19 - HA THR 106 2.778% * 0.0584% (0.08 1.0 0.02 0.02) = 0.058% QG2 VAL 40 - HA PRO 59 2.778% * 0.0422% (0.06 1.0 0.02 0.02) = 0.042% QG2 VAL 40 - HA SER 49 2.778% * 0.0419% (0.06 1.0 0.02 0.02) = 0.042% QG2 VAL 40 - HA THR 106 2.778% * 0.0318% (0.04 1.0 0.02 0.02) = 0.032% QG1 VAL 62 - HA PRO 59 2.778% * 0.0211% (0.03 1.0 0.02 0.02) = 0.021% QD2 LEU 9 - HA PRO 59 2.778% * 0.0211% (0.03 1.0 0.02 0.51) = 0.021% QD1 ILE 68 - HA PRO 59 2.778% * 0.0211% (0.03 1.0 0.02 0.02) = 0.021% QG1 VAL 62 - HA SER 49 2.778% * 0.0210% (0.03 1.0 0.02 0.13) = 0.021% QD1 ILE 68 - HA SER 49 2.778% * 0.0210% (0.03 1.0 0.02 0.02) = 0.021% QD2 LEU 9 - HA SER 49 2.778% * 0.0210% (0.03 1.0 0.02 0.02) = 0.021% QG1 VAL 62 - HA THR 106 2.778% * 0.0159% (0.02 1.0 0.02 0.02) = 0.016% QD1 ILE 68 - HA THR 106 2.778% * 0.0159% (0.02 1.0 0.02 0.02) = 0.016% QD2 LEU 9 - HA THR 106 2.778% * 0.0159% (0.02 1.0 0.02 0.02) = 0.016% Peak 559 (0.60, 0.86, 20.27 ppm): 1 chemical-shift based assignment, quality = 0.304, support = 0.0761, 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 0.22 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): 5 chemical-shift based assignments, quality = 0.635, support = 2.5, residual support = 2.23: HN LEU 17 - QB ALA 33 20.000% * 67.9529% (0.67 3.15 3.07) = 67.953% kept HN MET 97 - QB ALA 33 20.000% * 24.9515% (0.65 1.20 0.50) = 24.952% kept HN THR 96 - QB ALA 33 20.000% * 6.8098% (0.23 0.92 0.32) = 6.810% kept HN ARG+ 22 - QB ALA 33 20.000% * 0.1779% (0.28 0.02 0.02) = 0.178% HN PHE 21 - QB ALA 33 20.000% * 0.1079% (0.17 0.02 0.02) = 0.108% Peak 562 (8.78, 1.15, 19.89 ppm): 4 chemical-shift based assignments, quality = 0.469, support = 2.62, residual support = 6.32: HN PHE 34 - QB ALA 33 25.000% * 64.5138% (0.42 3.65 9.71) = 64.514% kept HN THR 95 - QB ALA 33 25.000% * 21.0653% (0.61 0.81 0.19) = 21.065% kept HN SER 69 - QB ALA 33 25.000% * 14.1757% (0.51 0.65 0.12) = 14.176% kept HN VAL 62 - QB ALA 33 25.000% * 0.2451% (0.29 0.02 0.02) = 0.245% Peak 563 (8.20, 1.14, 19.89 ppm): 9 chemical-shift based assignments, quality = 0.543, support = 2.98, residual support = 7.65: O HN ALA 33 - QB ALA 33 11.111% * 99.3633% (0.55 10.0 3.00 7.70) = 99.363% kept HN LYS+ 117 - QB ALA 33 11.111% * 0.1198% (0.66 1.0 0.02 0.02) = 0.120% HN GLU- 45 - QB ALA 33 11.111% * 0.1113% (0.61 1.0 0.02 0.02) = 0.111% HN ALA 11 - QB ALA 33 11.111% * 0.1036% (0.57 1.0 0.02 0.02) = 0.104% HN VAL 105 - QB ALA 33 11.111% * 0.0852% (0.47 1.0 0.02 0.02) = 0.085% HN ASN 119 - QB ALA 33 11.111% * 0.0803% (0.44 1.0 0.02 0.02) = 0.080% HN VAL 94 - QB ALA 33 11.111% * 0.0803% (0.44 1.0 0.02 0.02) = 0.080% HN LYS+ 120 - QB ALA 33 11.111% * 0.0345% (0.19 1.0 0.02 0.02) = 0.035% HN SER 49 - QB ALA 33 11.111% * 0.0217% (0.12 1.0 0.02 0.02) = 0.022% 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): 12 chemical-shift based assignments, quality = 0.314, support = 1.03, residual support = 6.68: HA LYS+ 32 - QB ALA 33 8.333% * 45.8576% (0.25 1.89 14.54) = 45.858% kept HA CYS 123 - QB ALA 33 8.333% * 16.2179% (0.61 0.27 0.02) = 16.218% kept HA ASN 89 - QB ALA 33 8.333% * 9.5069% (0.41 0.24 0.02) = 9.507% kept HA ILE 101 - QB ALA 33 8.333% * 8.4509% (0.15 0.59 0.02) = 8.451% kept HA ILE 100 - QB ALA 33 8.333% * 7.3344% (0.16 0.45 0.02) = 7.334% kept HA ALA 103 - QB ALA 33 8.333% * 5.3956% (0.27 0.20 0.02) = 5.396% kept HA LYS+ 55 - QB ALA 33 8.333% * 3.2478% (0.30 0.11 0.02) = 3.248% kept HA ASN 76 - QB ALA 33 8.333% * 1.2921% (0.66 0.02 0.02) = 1.292% kept HA SER 77 - QB ALA 33 8.333% * 1.0817% (0.55 0.02 0.02) = 1.082% kept HA VAL 73 - QB ALA 33 8.333% * 0.6349% (0.32 0.02 0.02) = 0.635% HB THR 46 - QB ALA 33 8.333% * 0.5806% (0.30 0.02 0.02) = 0.581% HA PRO 86 - QB ALA 33 8.333% * 0.3997% (0.20 0.02 0.02) = 0.400% 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): 1 diagonal assignment: HB3 SER 88 - HB3 SER 88 (0.67) kept 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): 13 chemical-shift based assignments, quality = 0.623, support = 1.16, residual support = 3.03: HG2 GLU- 18 - QB ALA 33 7.692% * 42.8445% (0.67 1.59 2.25) = 42.845% kept HB3 GLN 16 - QB ALA 33 7.692% * 31.9628% (0.63 1.26 6.44) = 31.963% kept HB3 CYS 123 - QB ALA 33 7.692% * 9.6227% (0.67 0.36 0.02) = 9.623% kept HB2 GLU- 10 - QB ALA 33 7.692% * 6.4560% (0.55 0.29 0.02) = 6.456% kept HB3 GLN 102 - QB ALA 33 7.692% * 5.0981% (0.44 0.29 0.02) = 5.098% kept HB3 GLU- 54 - QB ALA 33 7.692% * 2.3228% (0.47 0.12 0.02) = 2.323% kept HB3 MET 118 - QB ALA 33 7.692% * 0.4587% (0.57 0.02 0.02) = 0.459% HG3 LYS+ 120 - QB ALA 33 7.692% * 0.3331% (0.42 0.02 0.02) = 0.333% HB3 ARG+ 84 - QB ALA 33 7.692% * 0.3109% (0.39 0.02 0.02) = 0.311% HD3 LYS+ 63 - QB ALA 33 7.692% * 0.2462% (0.31 0.02 0.02) = 0.246% HB3 GLU- 56 - QB ALA 33 7.692% * 0.1369% (0.17 0.02 0.02) = 0.137% HB2 LEU 23 - QB ALA 33 7.692% * 0.1223% (0.15 0.02 0.02) = 0.122% HB3 PRO 35 - QB ALA 33 7.692% * 0.0847% (0.11 0.02 0.02) = 0.085% 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): 3 chemical-shift based assignments, quality = 0.656, support = 3.54, residual support = 6.31: T HB2 GLN 16 - QB ALA 33 33.333% * 98.0374% (0.66 10.00 3.61 6.44) = 98.037% kept HB ILE 48 - QB ALA 33 33.333% * 1.9183% (0.60 1.00 0.43 0.12) = 1.918% kept HB3 GLU- 50 - QB ALA 33 33.333% * 0.0443% (0.30 1.00 0.02 0.02) = 0.044% Peak 573 (1.62, 4.25, 61.41 ppm): 11 chemical-shift based assignments, quality = 0.853, support = 0.525, residual support = 0.572: HG12 ILE 101 - HA PRO 59 9.091% * 73.2110% (0.89 0.68 0.70) = 73.211% kept HB ILE 100 - HA PRO 59 9.091% * 15.5070% (0.89 0.14 0.37) = 15.507% kept HB2 LEU 67 - HA PRO 59 9.091% * 2.1426% (0.89 0.02 0.02) = 2.143% kept HG LEU 23 - HA PRO 59 9.091% * 2.0862% (0.86 0.02 0.02) = 2.086% kept HG3 LYS+ 78 - HA PRO 59 9.091% * 1.9955% (0.83 0.02 0.02) = 1.996% kept HG2 LYS+ 110 - HA PRO 59 9.091% * 1.3111% (0.54 0.02 0.02) = 1.311% kept HG3 LYS+ 110 - HA PRO 59 9.091% * 1.2239% (0.51 0.02 0.02) = 1.224% kept HB3 LEU 17 - HA PRO 59 9.091% * 0.8887% (0.37 0.02 0.02) = 0.889% HD3 LYS+ 32 - HA PRO 59 9.091% * 0.6672% (0.28 0.02 0.02) = 0.667% HB3 ARG+ 22 - HA PRO 59 9.091% * 0.5390% (0.22 0.02 0.02) = 0.539% HB3 MET 97 - HA PRO 59 9.091% * 0.4278% (0.18 0.02 0.02) = 0.428% 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): 6 chemical-shift based assignments, quality = 0.193, support = 0.837, residual support = 1.01: T HG LEU 74 - QB ALA 33 16.667% * 78.4831% (0.19 10.00 0.75 0.99) = 78.483% kept QB ALA 103 - QB ALA 33 16.667% * 12.7683% (0.28 1.00 0.83 0.02) = 12.768% kept HB2 LEU 17 - QB ALA 33 16.667% * 7.4661% (0.07 1.00 1.90 3.07) = 7.466% kept QG2 THR 46 - QB ALA 33 16.667% * 0.6765% (0.14 1.00 0.09 0.02) = 0.676% QB ALA 11 - QB ALA 33 16.667% * 0.5186% (0.12 1.00 0.08 0.02) = 0.519% HB2 LYS+ 55 - QB ALA 33 16.667% * 0.0874% (0.08 1.00 0.02 0.02) = 0.087% 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): 13 chemical-shift based assignments, quality = 0.324, support = 0.379, residual support = 0.332: HG LEU 74 - QB ALA 33 7.692% * 32.3988% (0.23 0.75 0.99) = 32.399% kept HB ILE 101 - QB ALA 33 7.692% * 24.1314% (0.40 0.32 0.02) = 24.131% kept QG2 VAL 122 - QB ALA 33 7.692% * 15.6574% (0.42 0.20 0.02) = 15.657% kept QD1 LEU 90 - QB ALA 33 7.692% * 9.3740% (0.50 0.10 0.02) = 9.374% kept QG1 VAL 122 - QB ALA 33 7.692% * 6.3942% (0.17 0.20 0.02) = 6.394% kept QG2 VAL 47 - QB ALA 33 7.692% * 4.7716% (0.25 0.10 0.02) = 4.772% kept QG2 ILE 100 - QB ALA 33 7.692% * 1.8811% (0.50 0.02 0.02) = 1.881% kept HG3 LYS+ 117 - QB ALA 33 7.692% * 1.2196% (0.33 0.02 0.02) = 1.220% kept QG1 VAL 40 - QB ALA 33 7.692% * 1.0674% (0.29 0.02 0.02) = 1.067% kept QG2 VAL 125 - QB ALA 33 7.692% * 0.9919% (0.26 0.02 0.02) = 0.992% HG2 LYS+ 117 - QB ALA 33 7.692% * 0.9177% (0.25 0.02 0.02) = 0.918% QG2 VAL 13 - QB ALA 33 7.692% * 0.7751% (0.21 0.02 0.02) = 0.775% QG1 VAL 80 - QB ALA 33 7.692% * 0.4197% (0.11 0.02 0.02) = 0.420% Not enough total support, support cutoff is 0.44 Peak unassigned. 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): 8 chemical-shift based assignments, quality = 0.385, support = 0.505, residual support = 0.453: QD2 LEU 9 - QB ALA 33 12.500% * 32.3383% (0.41 0.62 0.57) = 32.338% kept QD1 LEU 9 - QB ALA 33 12.500% * 28.7725% (0.51 0.45 0.57) = 28.772% kept QD1 ILE 68 - QB ALA 33 12.500% * 17.8660% (0.41 0.34 0.02) = 17.866% kept HG LEU 74 - QB ALA 33 12.500% * 10.0723% (0.11 0.75 0.99) = 10.072% kept HG12 ILE 100 - QB ALA 33 12.500% * 8.1004% (0.14 0.45 0.02) = 8.100% kept HG3 LYS+ 66 - QB ALA 33 12.500% * 1.4019% (0.56 0.02 0.02) = 1.402% kept HG3 LYS+ 44 - QB ALA 33 12.500% * 0.7525% (0.30 0.02 0.02) = 0.752% QG2 VAL 40 - QB ALA 33 12.500% * 0.6962% (0.28 0.02 0.02) = 0.696% 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): 8 chemical-shift based assignments, quality = 0.43, support = 0.314, residual support = 0.0383: HN GLU- 50 - HB2 SER 88 12.500% * 22.8206% (0.65 0.26 0.02) = 22.821% kept HN GLY 114 - HB2 SER 88 12.500% * 21.9801% (0.40 0.41 0.02) = 21.980% kept HN GLU- 109 - HB2 SER 88 12.500% * 21.8537% (0.50 0.32 0.10) = 21.854% kept HN ASN 76 - HB2 SER 88 12.500% * 13.3319% (0.32 0.31 0.02) = 13.332% kept HN LYS+ 108 - HB2 SER 88 12.500% * 10.5644% (0.27 0.29 0.02) = 10.564% kept HN VAL 99 - HB2 SER 88 12.500% * 5.0603% (0.13 0.29 0.02) = 5.060% kept HN ALA 103 - HB2 SER 88 12.500% * 4.0762% (0.13 0.23 0.02) = 4.076% kept HN GLY 71 - HB2 SER 88 12.500% * 0.3127% (0.12 0.02 0.02) = 0.313% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 586 (8.24, 1.35, 19.51 ppm): 26 chemical-shift based assignments, quality = 0.322, support = 1.49, residual support = 5.37: O HN ALA 11 - QB ALA 11 3.846% * 51.3642% (0.11 10.0 1.51 7.75) = 51.364% kept HN GLU- 12 - QB ALA 11 3.846% * 38.6563% (0.68 1.0 1.75 3.51) = 38.656% kept HN LYS+ 81 - QB ALA 103 3.846% * 1.9934% (0.08 1.0 0.75 0.79) = 1.993% kept HN GLY 58 - QB ALA 103 3.846% * 1.8773% (0.08 1.0 0.75 0.95) = 1.877% kept HN SER 49 - QB ALA 103 3.846% * 1.3629% (0.07 1.0 0.63 0.02) = 1.363% kept HN VAL 105 - QB ALA 103 3.846% * 0.7834% (0.02 1.0 1.16 0.14) = 0.783% HN LYS+ 81 - QB ALA 11 3.846% * 0.4330% (0.67 1.0 0.02 0.02) = 0.433% HN LEU 67 - QB ALA 11 3.846% * 0.4330% (0.67 1.0 0.02 0.02) = 0.433% HN MET 118 - QB ALA 11 3.846% * 0.4263% (0.66 1.0 0.02 0.02) = 0.426% HN GLY 58 - QB ALA 11 3.846% * 0.4078% (0.63 1.0 0.02 0.02) = 0.408% HN SER 49 - QB ALA 11 3.846% * 0.3537% (0.55 1.0 0.02 0.02) = 0.354% HN THR 106 - QB ALA 11 3.846% * 0.3208% (0.50 1.0 0.02 0.02) = 0.321% HN GLN 16 - QB ALA 103 3.846% * 0.3168% (0.03 1.0 0.34 0.02) = 0.317% HN ASP- 115 - QB ALA 11 3.846% * 0.2858% (0.44 1.0 0.02 0.11) = 0.286% HN MET 118 - QB ALA 103 3.846% * 0.2727% (0.08 1.0 0.10 0.02) = 0.273% HN GLN 16 - QB ALA 11 3.846% * 0.1507% (0.23 1.0 0.02 0.02) = 0.151% HN VAL 94 - QB ALA 11 3.846% * 0.1228% (0.19 1.0 0.02 0.02) = 0.123% HN HIS+ 7 - QB ALA 11 3.846% * 0.1102% (0.17 1.0 0.02 0.02) = 0.110% HN VAL 105 - QB ALA 11 3.846% * 0.1102% (0.17 1.0 0.02 0.02) = 0.110% HN GLU- 12 - QB ALA 103 3.846% * 0.0542% (0.08 1.0 0.02 0.02) = 0.054% HN LEU 67 - QB ALA 103 3.846% * 0.0532% (0.08 1.0 0.02 0.02) = 0.053% HN THR 106 - QB ALA 103 3.846% * 0.0394% (0.06 1.0 0.02 0.02) = 0.039% HN ASP- 115 - QB ALA 103 3.846% * 0.0351% (0.05 1.0 0.02 0.02) = 0.035% HN VAL 94 - QB ALA 103 3.846% * 0.0151% (0.02 1.0 0.02 0.02) = 0.015% HN HIS+ 7 - QB ALA 103 3.846% * 0.0135% (0.02 1.0 0.02 0.02) = 0.014% HN ALA 11 - QB ALA 103 3.846% * 0.0084% (0.01 1.0 0.02 0.02) = 0.008% Peak 587 (4.26, 1.35, 19.48 ppm): 38 chemical-shift based assignments, quality = 0.144, support = 1.24, residual support = 2.6: HA ASN 89 - QB ALA 103 2.632% * 30.6066% (0.07 2.65 8.16) = 30.607% kept HA GLU- 56 - QB ALA 103 2.632% * 11.5784% (0.07 0.91 0.21) = 11.578% kept HA VAL 73 - QB ALA 103 2.632% * 9.5534% (0.04 1.34 0.71) = 9.553% kept HA PRO 59 - QB ALA 103 2.632% * 8.9846% (0.05 1.02 0.02) = 8.985% kept HD3 PRO 59 - QB ALA 103 2.632% * 5.7885% (0.05 0.74 0.02) = 5.789% kept HA PRO 52 - QB ALA 103 2.632% * 5.3512% (0.05 0.69 0.02) = 5.351% kept HA GLU- 54 - QB ALA 103 2.632% * 2.5996% (0.02 0.81 0.02) = 2.600% kept HA GLU- 56 - QB ALA 11 2.632% * 2.0334% (0.60 0.02 0.02) = 2.033% kept HA GLU- 75 - QB ALA 11 2.632% * 1.9799% (0.58 0.02 0.02) = 1.980% kept HA2 GLY 114 - QB ALA 11 2.632% * 1.9407% (0.57 0.02 0.02) = 1.941% kept HA ASN 89 - QB ALA 11 2.632% * 1.8464% (0.54 0.02 0.22) = 1.846% kept HA HIS+ 4 - QB ALA 11 2.632% * 1.7796% (0.52 0.02 0.02) = 1.780% kept HA ARG+ 84 - QB ALA 11 2.632% * 1.4897% (0.44 0.02 0.02) = 1.490% kept HA LYS+ 108 - QB ALA 11 2.632% * 1.4897% (0.44 0.02 0.02) = 1.490% kept HA VAL 65 - QB ALA 11 2.632% * 1.4092% (0.41 0.02 0.02) = 1.409% kept HA PRO 59 - QB ALA 11 2.632% * 1.4092% (0.41 0.02 0.02) = 1.409% kept HA PRO 52 - QB ALA 11 2.632% * 1.2443% (0.37 0.02 0.02) = 1.244% kept HA SER 85 - QB ALA 11 2.632% * 1.2443% (0.37 0.02 0.02) = 1.244% kept HD3 PRO 59 - QB ALA 11 2.632% * 1.2443% (0.37 0.02 0.02) = 1.244% kept HA ALA 91 - QB ALA 11 2.632% * 1.1615% (0.34 0.02 0.02) = 1.161% kept HA VAL 73 - QB ALA 11 2.632% * 1.1393% (0.33 0.02 0.02) = 1.139% kept HA HIS+ 8 - QB ALA 11 2.632% * 0.6998% (0.21 0.02 0.02) = 0.700% HA GLU- 54 - QB ALA 11 2.632% * 0.5116% (0.15 0.02 0.02) = 0.512% HA SER 49 - QB ALA 11 2.632% * 0.4060% (0.12 0.02 0.02) = 0.406% HA THR 106 - QB ALA 11 2.632% * 0.3593% (0.11 0.02 0.02) = 0.359% HA GLU- 18 - QB ALA 11 2.632% * 0.3593% (0.11 0.02 0.02) = 0.359% HA GLU- 75 - QB ALA 103 2.632% * 0.2475% (0.07 0.02 0.02) = 0.248% HA2 GLY 114 - QB ALA 103 2.632% * 0.2426% (0.07 0.02 0.02) = 0.243% HA HIS+ 4 - QB ALA 103 2.632% * 0.2225% (0.07 0.02 0.02) = 0.222% HA ARG+ 84 - QB ALA 103 2.632% * 0.1862% (0.05 0.02 0.02) = 0.186% HA LYS+ 108 - QB ALA 103 2.632% * 0.1862% (0.05 0.02 0.02) = 0.186% HA VAL 65 - QB ALA 103 2.632% * 0.1762% (0.05 0.02 0.02) = 0.176% HA SER 85 - QB ALA 103 2.632% * 0.1556% (0.05 0.02 0.02) = 0.156% HA ALA 91 - QB ALA 103 2.632% * 0.1452% (0.04 0.02 0.02) = 0.145% HA HIS+ 8 - QB ALA 103 2.632% * 0.0875% (0.03 0.02 0.02) = 0.087% HA SER 49 - QB ALA 103 2.632% * 0.0508% (0.01 0.02 0.02) = 0.051% HA GLU- 18 - QB ALA 103 2.632% * 0.0449% (0.01 0.02 0.49) = 0.045% HA THR 106 - QB ALA 103 2.632% * 0.0449% (0.01 0.02 0.02) = 0.045% Not enough quality. Peak unassigned. Peak 588 (4.13, 4.13, 60.97 ppm): 1 diagonal assignment: HB2 SER 88 - HB2 SER 88 (0.47) kept Peak 608 (1.38, 4.28, 61.15 ppm): 10 chemical-shift based assignments, quality = 0.0659, support = 0.278, residual support = 0.02: HB2 LYS+ 20 - HA PRO 59 10.000% * 51.8879% (0.08 0.36 0.02) = 51.888% kept HB3 LYS+ 20 - HA PRO 59 10.000% * 16.6578% (0.08 0.11 0.02) = 16.658% kept HG3 LYS+ 20 - HA PRO 59 10.000% * 12.9782% (0.01 0.49 0.02) = 12.978% kept HG3 ARG+ 22 - HA PRO 59 10.000% * 6.6369% (0.03 0.11 0.02) = 6.637% kept QG2 THR 39 - HA PRO 59 10.000% * 2.9829% (0.08 0.02 0.02) = 2.983% kept HG2 LYS+ 78 - HA PRO 59 10.000% * 2.9500% (0.08 0.02 0.02) = 2.950% kept QB ALA 91 - HA PRO 59 10.000% * 1.8254% (0.05 0.02 0.02) = 1.825% kept HG LEU 74 - HA PRO 59 10.000% * 1.4867% (0.04 0.02 0.02) = 1.487% kept HD3 LYS+ 20 - HA PRO 59 10.000% * 1.4649% (0.04 0.02 0.02) = 1.465% kept HG13 ILE 19 - HA PRO 59 10.000% * 1.1295% (0.03 0.02 0.02) = 1.130% 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): 1 diagonal assignment: QB ALA 11 - QB ALA 11 (0.20) kept Peak 637 (0.96, 0.96, 19.53 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 641 (0.83, 4.13, 61.02 ppm): 14 chemical-shift based assignments, quality = 0.443, support = 0.43, residual support = 0.0342: QG1 VAL 94 - HB2 SER 88 7.143% * 22.1684% (0.60 0.47 0.02) = 22.168% kept HG2 LYS+ 113 - HB2 SER 88 7.143% * 19.6813% (0.62 0.40 0.02) = 19.681% kept QD2 LEU 67 - HB2 SER 88 7.143% * 15.3787% (0.22 0.88 0.02) = 15.379% kept QD2 LEU 17 - HB2 SER 88 7.143% * 8.5773% (0.47 0.23 0.02) = 8.577% kept HB ILE 101 - HB2 SER 88 7.143% * 8.1045% (0.18 0.57 0.20) = 8.104% kept HG LEU 74 - HB2 SER 88 7.143% * 5.9795% (0.24 0.31 0.02) = 5.979% kept HG3 LYS+ 113 - HB2 SER 88 7.143% * 4.8744% (0.54 0.11 0.02) = 4.874% kept QD1 ILE 29 - HB2 SER 88 7.143% * 4.7355% (0.62 0.10 0.02) = 4.735% kept QG2 VAL 13 - HB2 SER 88 7.143% * 4.1097% (0.42 0.12 0.02) = 4.110% kept QB ALA 93 - HB2 SER 88 7.143% * 3.7367% (0.13 0.37 0.02) = 3.737% kept QG1 VAL 13 - HB2 SER 88 7.143% * 1.0258% (0.65 0.02 0.02) = 1.026% kept QD2 LEU 90 - HB2 SER 88 7.143% * 0.6236% (0.39 0.02 0.02) = 0.624% HG2 LYS+ 117 - HB2 SER 88 7.143% * 0.5821% (0.37 0.02 0.02) = 0.582% HG3 LYS+ 117 - HB2 SER 88 7.143% * 0.4227% (0.27 0.02 0.02) = 0.423% Not enough total support, support cutoff is 0.44 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): 18 chemical-shift based assignments, quality = 0.831, support = 2.37, residual support = 5.6: HN GLY 92 - QB ALA 91 5.556% * 85.3394% (0.87 2.73 6.56) = 85.339% kept HN GLU- 18 - QB ALA 91 5.556% * 10.0660% (0.74 0.38 0.02) = 10.066% kept HN LYS+ 113 - QB ALA 91 5.556% * 2.0844% (0.61 0.10 0.02) = 2.084% kept HN LEU 74 - QB ALA 91 5.556% * 1.2098% (0.27 0.12 0.02) = 1.210% kept HN GLU- 107 - QB ALA 91 5.556% * 0.5331% (0.74 0.02 0.02) = 0.533% HN GLU- 10 - QB ALA 91 5.556% * 0.4129% (0.57 0.02 0.02) = 0.413% HN GLY 92 - QB ALA 37 5.556% * 0.0410% (0.06 0.02 0.02) = 0.041% HN GLY 92 - QB ALA 42 5.556% * 0.0399% (0.06 0.02 0.02) = 0.040% HN GLU- 18 - QB ALA 37 5.556% * 0.0350% (0.05 0.02 0.02) = 0.035% HN GLU- 107 - QB ALA 37 5.556% * 0.0350% (0.05 0.02 0.02) = 0.035% HN GLU- 18 - QB ALA 42 5.556% * 0.0340% (0.05 0.02 0.02) = 0.034% HN GLU- 107 - QB ALA 42 5.556% * 0.0340% (0.05 0.02 0.02) = 0.034% HN LYS+ 113 - QB ALA 37 5.556% * 0.0288% (0.04 0.02 0.02) = 0.029% HN LYS+ 113 - QB ALA 42 5.556% * 0.0280% (0.04 0.02 0.02) = 0.028% HN GLU- 10 - QB ALA 37 5.556% * 0.0271% (0.04 0.02 0.02) = 0.027% HN GLU- 10 - QB ALA 42 5.556% * 0.0263% (0.04 0.02 0.02) = 0.026% HN LEU 74 - QB ALA 37 5.556% * 0.0129% (0.02 0.02 0.35) = 0.013% HN LEU 74 - QB ALA 42 5.556% * 0.0126% (0.02 0.02 0.02) = 0.013% Peak 674 (8.29, 1.37, 18.89 ppm): 9 chemical-shift based assignments, quality = 0.864, support = 2.65, residual support = 6.16: O HN ALA 91 - QB ALA 91 11.111% * 94.9421% (0.89 10.0 2.75 6.37) = 94.942% kept HN ASN 89 - QB ALA 91 11.111% * 2.5983% (0.54 1.0 0.89 4.29) = 2.598% kept HN VAL 99 - QB ALA 91 11.111% * 1.7935% (0.40 1.0 0.85 0.02) = 1.794% kept HN ASP- 28 - QB ALA 91 11.111% * 0.4172% (0.89 1.0 0.09 0.02) = 0.417% HN LEU 9 - QB ALA 91 11.111% * 0.1019% (0.95 1.0 0.02 0.02) = 0.102% HN HIS+ 8 - QB ALA 91 11.111% * 0.0922% (0.86 1.0 0.02 0.02) = 0.092% HN HIS+ 7 - QB ALA 91 11.111% * 0.0229% (0.21 1.0 0.02 0.02) = 0.023% HN ASN 76 - QB ALA 91 11.111% * 0.0159% (0.15 1.0 0.02 0.02) = 0.016% HN GLN 16 - QB ALA 91 11.111% * 0.0159% (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 = 2.93, residual support = 10.9: O HN ALA 37 - QB ALA 37 20.000% * 99.7116% (0.43 10.0 2.94 10.90) = 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): 13 chemical-shift based assignments, quality = 0.388, support = 1.81, residual support = 10.1: O T HA ALA 37 - QB ALA 37 7.692% * 88.8528% (0.39 10.0 10.00 1.87 10.90) = 88.853% kept HA THR 38 - QB ALA 37 7.692% * 6.5865% (0.29 1.0 1.00 2.05 6.43) = 6.586% kept HA ASN 89 - QB ALA 37 7.692% * 2.4616% (0.41 1.0 1.00 0.53 0.14) = 2.462% kept HA SER 88 - QB ALA 37 7.692% * 1.5328% (0.52 1.0 1.00 0.26 0.02) = 1.533% kept HA VAL 73 - QB ALA 37 7.692% * 0.1197% (0.53 1.0 1.00 0.02 0.02) = 0.120% HA TRP 51 - QB ALA 37 7.692% * 0.1157% (0.51 1.0 1.00 0.02 0.02) = 0.116% HA ASN 57 - QB ALA 37 7.692% * 0.0935% (0.42 1.0 1.00 0.02 0.02) = 0.094% HA LYS+ 60 - QB ALA 37 7.692% * 0.0792% (0.35 1.0 1.00 0.02 0.02) = 0.079% HB3 HIS+ 4 - QB ALA 37 7.692% * 0.0417% (0.19 1.0 1.00 0.02 0.02) = 0.042% HA THR 24 - QB ALA 37 7.692% * 0.0340% (0.15 1.0 1.00 0.02 0.02) = 0.034% HA2 GLY 26 - QB ALA 37 7.692% * 0.0305% (0.14 1.0 1.00 0.02 0.02) = 0.031% HA HIS+ 14 - QB ALA 37 7.692% * 0.0305% (0.14 1.0 1.00 0.02 0.02) = 0.031% HA LYS+ 117 - QB ALA 37 7.692% * 0.0214% (0.10 1.0 1.00 0.02 0.02) = 0.021% 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): 19 chemical-shift based assignments, quality = 0.806, support = 1.78, residual support = 3.85: HA ASN 89 - QB ALA 91 5.263% * 89.7105% (0.90 1.98 4.29) = 89.711% kept HA HIS+ 8 - QB ALA 91 5.263% * 0.9766% (0.97 0.02 0.02) = 0.977% HA GLU- 54 - QB ALA 91 5.263% * 0.9321% (0.93 0.02 0.02) = 0.932% HA PRO 59 - QB ALA 91 5.263% * 0.8837% (0.88 0.02 0.02) = 0.884% HA SER 49 - QB ALA 91 5.263% * 0.8837% (0.88 0.02 0.02) = 0.884% HA GLU- 18 - QB ALA 91 5.263% * 0.8547% (0.85 0.02 0.02) = 0.855% HA LYS+ 108 - QB ALA 91 5.263% * 0.8547% (0.85 0.02 0.02) = 0.855% HA HIS+ 4 - QB ALA 91 5.263% * 0.7155% (0.71 0.02 0.02) = 0.715% HA2 GLY 114 - QB ALA 91 5.263% * 0.5976% (0.59 0.02 0.02) = 0.598% HA ALA 42 - QB ALA 91 5.263% * 0.5184% (0.51 0.02 0.02) = 0.518% HA GLU- 56 - QB ALA 91 5.263% * 0.4796% (0.48 0.02 0.02) = 0.480% HA LYS+ 110 - QB ALA 91 5.263% * 0.4796% (0.48 0.02 0.02) = 0.480% HB3 SER 49 - QB ALA 91 5.263% * 0.4418% (0.44 0.02 0.02) = 0.442% HA VAL 73 - QB ALA 91 5.263% * 0.4323% (0.43 0.02 0.02) = 0.432% HA GLU- 12 - QB ALA 91 5.263% * 0.4051% (0.40 0.02 0.02) = 0.405% HA GLU- 75 - QB ALA 91 5.263% * 0.2740% (0.27 0.02 0.02) = 0.274% HA ALA 11 - QB ALA 91 5.263% * 0.2457% (0.24 0.02 0.02) = 0.246% HB3 HIS+ 14 - QB ALA 91 5.263% * 0.1726% (0.17 0.02 0.02) = 0.173% HA LYS+ 44 - QB ALA 91 5.263% * 0.1418% (0.14 0.02 0.02) = 0.142% 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): 3 chemical-shift based assignments, quality = 0.175, support = 0.0903, residual support = 0.02: T QD1 ILE 48 - HB3 SER 88 33.333% * 96.8894% (0.18 10.00 0.09 0.02) = 96.889% kept HG12 ILE 48 - HB3 SER 88 33.333% * 2.0937% (0.18 1.00 0.02 0.02) = 2.094% kept HG13 ILE 48 - HB3 SER 88 33.333% * 1.0169% (0.09 1.00 0.02 0.02) = 1.017% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 716 (8.37, 1.31, 18.21 ppm): 4 chemical-shift based assignments, quality = 0.273, support = 2.55, residual support = 11.7: O HN ALA 103 - QB ALA 103 25.000% * 98.9774% (0.28 10.0 2.58 11.79) = 98.977% kept HN GLY 71 - QB ALA 103 25.000% * 0.8844% (0.28 1.0 0.18 0.02) = 0.884% HN LYS+ 108 - QB ALA 103 25.000% * 0.0860% (0.24 1.0 0.02 0.02) = 0.086% HN GLU- 109 - QB ALA 103 25.000% * 0.0522% (0.15 1.0 0.02 0.02) = 0.052% Peak 717 (8.23, 3.87, 59.76 ppm): 12 chemical-shift based assignments, quality = 0.118, support = 0.0957, residual support = 0.0222: HN LYS+ 81 - HB3 SER 88 8.333% * 24.2847% (0.15 0.12 0.02) = 24.285% kept HN VAL 94 - HB3 SER 88 8.333% * 20.4527% (0.11 0.14 0.02) = 20.453% kept HN VAL 105 - HB3 SER 88 8.333% * 17.8501% (0.10 0.13 0.02) = 17.850% kept HN GLU- 45 - HB3 SER 88 8.333% * 7.2226% (0.06 0.08 0.02) = 7.223% kept HN THR 106 - HB3 SER 88 8.333% * 5.9563% (0.06 0.08 0.02) = 5.956% kept HN SER 49 - HB3 SER 88 8.333% * 4.5619% (0.17 0.02 0.02) = 4.562% kept HN GLY 58 - HB3 SER 88 8.333% * 4.4026% (0.16 0.02 0.02) = 4.403% kept HN MET 118 - HB3 SER 88 8.333% * 4.2112% (0.15 0.02 0.02) = 4.211% kept HN LEU 67 - HB3 SER 88 8.333% * 4.0913% (0.15 0.02 0.02) = 4.091% kept HN GLU- 12 - HB3 SER 88 8.333% * 3.6529% (0.13 0.02 0.02) = 3.653% kept HN ALA 11 - HB3 SER 88 8.333% * 2.0453% (0.07 0.02 0.02) = 2.045% kept HN ASP- 115 - HB3 SER 88 8.333% * 1.2684% (0.05 0.02 0.19) = 1.268% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 718 (8.26, 3.69, 59.69 ppm): 13 chemical-shift based assignments, quality = 0.24, support = 2.07, residual support = 5.11: O HN LYS+ 81 - HA LYS+ 81 7.692% * 96.5029% (0.24 10.0 2.14 5.29) = 96.503% kept HN GLU- 12 - HA LYS+ 81 7.692% * 1.6214% (0.31 1.0 0.27 0.02) = 1.621% kept HN THR 106 - HA LYS+ 81 7.692% * 0.8101% (0.52 1.0 0.08 0.02) = 0.810% HN ASP- 115 - HA LYS+ 81 7.692% * 0.2133% (0.54 1.0 0.02 0.02) = 0.213% HN GLN 16 - HA LYS+ 81 7.692% * 0.1987% (0.50 1.0 0.02 0.02) = 0.199% HN HIS+ 7 - HA LYS+ 81 7.692% * 0.1798% (0.45 1.0 0.02 0.02) = 0.180% HN LEU 67 - HA LYS+ 81 7.692% * 0.0965% (0.24 1.0 0.02 0.02) = 0.097% HN ASN 89 - HA LYS+ 81 7.692% * 0.0965% (0.24 1.0 0.02 0.02) = 0.097% HN MET 118 - HA LYS+ 81 7.692% * 0.0885% (0.22 1.0 0.02 0.02) = 0.088% HN GLY 58 - HA LYS+ 81 7.692% * 0.0734% (0.18 1.0 0.02 0.02) = 0.073% HN SER 49 - HA LYS+ 81 7.692% * 0.0479% (0.12 1.0 0.02 0.02) = 0.048% HN HIS+ 8 - HA LYS+ 81 7.692% * 0.0377% (0.09 1.0 0.02 3.99) = 0.038% HN ASP- 28 - HA LYS+ 81 7.692% * 0.0332% (0.08 1.0 0.02 0.02) = 0.033% Peak 719 (4.53, 1.30, 18.21 ppm): 8 chemical-shift based assignments, quality = 0.127, support = 1.95, residual support = 5.09: HA ASN 89 - QB ALA 103 12.500% * 53.3420% (0.15 2.65 8.16) = 53.342% kept HB THR 46 - QB ALA 103 12.500% * 15.5295% (0.07 1.73 3.90) = 15.530% kept HA VAL 73 - QB ALA 103 12.500% * 12.7615% (0.07 1.34 0.71) = 12.762% kept HA LYS+ 55 - QB ALA 103 12.500% * 8.5561% (0.07 0.95 0.46) = 8.556% kept HA LYS+ 78 - QB ALA 103 12.500% * 7.1148% (0.26 0.20 0.02) = 7.115% kept HA LEU 17 - QB ALA 103 12.500% * 1.6420% (0.16 0.08 0.02) = 1.642% kept HA GLU- 10 - QB ALA 103 12.500% * 0.6461% (0.24 0.02 0.02) = 0.646% HA THR 79 - QB ALA 103 12.500% * 0.4079% (0.15 0.02 0.02) = 0.408% Peak 720 (4.50, 4.38, 18.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 721 (4.25, 4.36, 18.21 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 722 (3.87, 3.87, 59.81 ppm): 1 diagonal assignment: HB3 SER 88 - HB3 SER 88 (0.15) kept Peak 723 (3.76, 1.30, 18.20 ppm): 6 chemical-shift based assignments, quality = 0.203, support = 2.48, residual support = 6.99: T HD3 PRO 104 - QB ALA 103 16.667% * 79.7876% (0.20 10.00 2.52 7.42) = 79.788% kept HA ASN 89 - QB ALA 103 16.667% * 10.9889% (0.21 1.00 2.65 8.16) = 10.989% kept HA ILE 48 - QB ALA 103 16.667% * 9.0527% (0.23 1.00 1.97 1.88) = 9.053% kept HB3 SER 27 - QB ALA 103 16.667% * 0.1023% (0.26 1.00 0.02 0.02) = 0.102% HA LEU 43 - QB ALA 103 16.667% * 0.0468% (0.12 1.00 0.02 0.02) = 0.047% HA LYS+ 44 - QB ALA 103 16.667% * 0.0216% (0.05 1.00 0.02 0.02) = 0.022% 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): 4 chemical-shift based assignments, quality = 0.123, support = 2.1, residual support = 6.01: T HD2 PRO 104 - QB ALA 103 25.000% * 56.6039% (0.07 10.00 2.11 7.42) = 56.604% kept HA ILE 48 - QB ALA 103 25.000% * 18.7618% (0.23 1.00 1.97 1.88) = 18.762% kept HA ASN 89 - QB ALA 103 25.000% * 17.8824% (0.16 1.00 2.65 8.16) = 17.882% kept HD2 PRO 112 - QB ALA 103 25.000% * 6.7519% (0.17 1.00 0.98 0.02) = 6.752% kept Peak 726 (2.05, 3.87, 59.76 ppm): 14 chemical-shift based assignments, quality = 0.14, support = 0.361, residual support = 0.213: HB2 GLU- 45 - HB3 SER 88 7.143% * 32.9727% (0.17 0.41 0.02) = 32.973% kept HB3 LYS+ 110 - HB3 SER 88 7.143% * 30.2942% (0.13 0.49 0.66) = 30.294% kept HB3 GLU- 75 - HB3 SER 88 7.143% * 19.5106% (0.12 0.34 0.02) = 19.511% kept HG3 PRO 86 - HB3 SER 88 7.143% * 6.0717% (0.16 0.08 0.02) = 6.072% kept HB3 GLU- 45 - HB3 SER 88 7.143% * 4.7726% (0.08 0.13 0.02) = 4.773% kept HB3 GLU- 10 - HB3 SER 88 7.143% * 1.6241% (0.17 0.02 0.02) = 1.624% kept HB VAL 62 - HB3 SER 88 7.143% * 1.5364% (0.16 0.02 0.02) = 1.536% kept HB3 GLU- 107 - HB3 SER 88 7.143% * 0.9851% (0.11 0.02 0.02) = 0.985% HG3 ARG+ 53 - HB3 SER 88 7.143% * 0.6677% (0.07 0.02 0.02) = 0.668% HB3 PRO 31 - HB3 SER 88 7.143% * 0.4050% (0.04 0.02 0.02) = 0.405% HB2 LYS+ 44 - HB3 SER 88 7.143% * 0.4050% (0.04 0.02 0.21) = 0.405% HB2 PRO 112 - HB3 SER 88 7.143% * 0.2844% (0.03 0.02 0.02) = 0.284% HB3 LYS+ 120 - HB3 SER 88 7.143% * 0.2506% (0.03 0.02 0.02) = 0.251% HB3 PRO 112 - HB3 SER 88 7.143% * 0.2198% (0.02 0.02 0.02) = 0.220% Not enough quality. 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): 7 chemical-shift based assignments, quality = 0.203, support = 1.42, residual support = 3.67: T HB2 HIS+ 8 - HA LYS+ 81 14.286% * 92.1047% (0.21 10.00 1.50 3.99) = 92.105% kept HG3 ARG+ 84 - HA LYS+ 81 14.286% * 3.9208% (0.21 1.00 0.64 0.02) = 3.921% kept HB3 ARG+ 22 - HA LYS+ 81 14.286% * 1.7625% (0.10 1.00 0.61 0.02) = 1.762% kept HB3 MET 97 - HA LYS+ 81 14.286% * 1.6013% (0.12 1.00 0.44 0.02) = 1.601% kept HB3 MET 126 - HA LYS+ 81 14.286% * 0.2208% (0.37 1.00 0.02 0.02) = 0.221% HB VAL 99 - HA LYS+ 81 14.286% * 0.1950% (0.33 1.00 0.02 0.02) = 0.195% HD3 LYS+ 55 - HA LYS+ 81 14.286% * 0.1950% (0.33 1.00 0.02 0.11) = 0.195% 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): 6 chemical-shift based assignments, quality = 0.318, support = 0.609, residual support = 0.789: T QB ALA 103 - HA LYS+ 81 16.667% * 90.6479% (0.33 10.00 0.59 0.79) = 90.648% kept HG LEU 74 - HA LYS+ 81 16.667% * 8.9061% (0.22 1.00 0.86 0.81) = 8.906% kept QG2 THR 46 - HA LYS+ 81 16.667% * 0.1638% (0.17 1.00 0.02 0.02) = 0.164% QB ALA 11 - HA LYS+ 81 16.667% * 0.1168% (0.12 1.00 0.02 0.02) = 0.117% HB2 LYS+ 55 - HA LYS+ 81 16.667% * 0.0961% (0.10 1.00 0.02 0.11) = 0.096% HB2 LEU 17 - HA LYS+ 81 16.667% * 0.0693% (0.07 1.00 0.02 0.02) = 0.069% Peak 734 (1.31, 1.31, 18.21 ppm): 1 diagonal assignment: QB ALA 103 - QB ALA 103 (0.28) kept Peak 746 (8.91, 0.71, 17.81 ppm): 3 chemical-shift based assignments, quality = 0.414, support = 3.37, residual support = 16.8: HN GLN 102 - QG2 ILE 101 33.333% * 99.8062% (0.41 3.38 16.82) = 99.806% kept HN PHE 21 - QG2 ILE 101 33.333% * 0.1093% (0.08 0.02 0.02) = 0.109% HN ASP- 36 - QG2 ILE 101 33.333% * 0.0845% (0.06 0.02 0.02) = 0.084% Peak 747 (8.83, 0.68, 17.95 ppm): 3 chemical-shift based assignments, quality = 0.216, support = 0.427, residual support = 0.02: HN LYS+ 60 - QG2 ILE 101 33.333% * 93.0807% (0.22 0.46 0.02) = 93.081% kept HN LYS+ 32 - QG2 ILE 101 33.333% * 3.6555% (0.20 0.02 0.02) = 3.655% kept HN ASN 57 - QG2 ILE 101 33.333% * 3.2638% (0.18 0.02 0.02) = 3.264% kept Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 748 (8.75, 0.86, 17.86 ppm): 4 chemical-shift based assignments, quality = 0.663, support = 3.18, residual support = 8.1: HN ILE 101 - QG2 ILE 100 25.000% * 88.3713% (0.67 3.56 9.15) = 88.371% kept HN PHE 34 - QG2 ILE 100 25.000% * 8.2398% (0.57 0.39 0.02) = 8.240% kept HN VAL 62 - QG2 ILE 100 25.000% * 2.9176% (0.73 0.11 0.11) = 2.918% kept HN GLU- 56 - QG2 ILE 100 25.000% * 0.4714% (0.64 0.02 0.02) = 0.471% Peak 749 (8.39, 0.68, 17.95 ppm): 3 chemical-shift based assignments, quality = 0.0903, support = 1.35, residual support = 1.17: HN ALA 103 - QG2 ILE 101 33.333% * 86.0699% (0.09 1.55 1.36) = 86.070% kept HN GLY 71 - QG2 ILE 101 33.333% * 10.7728% (0.10 0.18 0.02) = 10.773% kept HN LYS+ 108 - QG2 ILE 101 33.333% * 3.1573% (0.05 0.11 0.02) = 3.157% kept Not enough quality. Peak unassigned. Peak 750 (8.09, 4.37, 59.12 ppm): 8 chemical-shift based assignments, quality = 0.0917, support = 3.67, residual support = 11.6: O HN SER 88 - HA SER 88 12.500% * 96.7014% (0.09 10.0 3.78 11.96) = 96.701% kept HN GLY 26 - HA SER 88 12.500% * 2.0576% (0.05 1.0 0.75 0.02) = 2.058% kept HN VAL 122 - HA SER 88 12.500% * 0.3024% (0.29 1.0 0.02 0.02) = 0.302% HN LYS+ 110 - HA SER 88 12.500% * 0.2275% (0.22 1.0 0.02 0.66) = 0.228% HN CYS 121 - HA SER 88 12.500% * 0.2275% (0.22 1.0 0.02 0.02) = 0.228% HN HIS+ 3 - HA SER 88 12.500% * 0.1774% (0.17 1.0 0.02 0.02) = 0.177% HN GLY 2 - HA SER 88 12.500% * 0.1774% (0.17 1.0 0.02 0.02) = 0.177% HN HIS+ 5 - HA SER 88 12.500% * 0.1288% (0.12 1.0 0.02 0.02) = 0.129% Peak 751 (7.97, 0.67, 17.97 ppm): 2 chemical-shift based assignments, quality = 0.119, support = 0.0629, residual support = 0.02: HN LYS+ 72 - QG2 ILE 101 50.000% * 77.8638% (0.12 0.08 0.02) = 77.864% kept HN LEU 43 - QG2 ILE 101 50.000% * 22.1362% (0.12 0.02 0.02) = 22.136% kept Not enough support, support cutoff is 0.22 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 = 0.02: HA ILE 68 - QG2 ILE 101 50.000% * 73.1495% (0.13 0.02 0.02) = 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 0.22 Peak unassigned. Peak 754 (4.95, 0.71, 17.82 ppm): 1 chemical-shift based assignment, quality = 0.0827, support = 0.02, residual support = 0.334: HA HIS+ 98 - QG2 ILE 101 100.000% *100.0000% (0.08 0.02 0.33) = 100.000% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 756 (4.54, 4.39, 59.28 ppm): 7 chemical-shift based assignments, quality = 0.479, support = 2.04, residual support = 10.5: T HA ASN 89 - HA SER 88 14.286% * 99.2871% (0.48 10.00 2.06 10.57) = 99.287% kept HA LEU 17 - HA SER 88 14.286% * 0.1820% (0.88 1.00 0.02 0.02) = 0.182% HA THR 79 - HA SER 88 14.286% * 0.1800% (0.87 1.00 0.02 0.02) = 0.180% HA GLU- 10 - HA SER 88 14.286% * 0.1695% (0.82 1.00 0.02 0.02) = 0.170% HA LYS+ 78 - HA SER 88 14.286% * 0.0966% (0.47 1.00 0.02 0.02) = 0.097% HA LYS+ 72 - HA SER 88 14.286% * 0.0458% (0.22 1.00 0.02 0.02) = 0.046% HA VAL 73 - HA SER 88 14.286% * 0.0389% (0.19 1.00 0.02 0.02) = 0.039% Peak 757 (4.47, 0.86, 17.88 ppm): 12 chemical-shift based assignments, quality = 0.616, support = 2.27, residual support = 17.0: O HA ILE 100 - QG2 ILE 100 8.333% * 84.9434% (0.64 10.0 2.37 18.79) = 84.943% kept HA ILE 101 - QG2 ILE 100 8.333% * 6.7536% (0.61 1.0 1.67 9.15) = 6.754% kept HA VAL 99 - QG2 ILE 100 8.333% * 5.3139% (0.31 1.0 2.55 7.71) = 5.314% kept HA ASN 89 - QG2 ILE 100 8.333% * 1.4706% (0.53 1.0 0.41 0.02) = 1.471% kept HA LYS+ 32 - QG2 ILE 100 8.333% * 1.0534% (0.75 1.0 0.21 0.02) = 1.053% kept HA ALA 103 - QG2 ILE 100 8.333% * 0.1026% (0.77 1.0 0.02 0.02) = 0.103% HA PRO 86 - QG2 ILE 100 8.333% * 0.0928% (0.70 1.0 0.02 0.02) = 0.093% HA ASN 76 - QG2 ILE 100 8.333% * 0.0674% (0.51 1.0 0.02 0.02) = 0.067% HA VAL 73 - QG2 ILE 100 8.333% * 0.0637% (0.48 1.0 0.02 0.02) = 0.064% HA GLU- 50 - QG2 ILE 100 8.333% * 0.0585% (0.44 1.0 0.02 0.02) = 0.058% HA CYS 123 - QG2 ILE 100 8.333% * 0.0457% (0.34 1.0 0.02 0.02) = 0.046% HA SER 77 - QG2 ILE 100 8.333% * 0.0343% (0.26 1.0 0.02 0.02) = 0.034% 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): 19 chemical-shift based assignments, quality = 0.374, support = 0.877, residual support = 0.818: HA PRO 59 - QG2 ILE 101 5.263% * 32.2731% (0.50 0.95 0.70) = 32.273% kept HA ASN 89 - QG2 ILE 101 5.263% * 31.4605% (0.47 0.98 0.40) = 31.460% kept HA VAL 73 - QG2 ILE 101 5.263% * 14.1290% (0.24 0.88 0.49) = 14.129% kept HA GLU- 75 - QG2 ILE 101 5.263% * 12.8413% (0.19 0.97 3.08) = 12.841% kept HB3 SER 49 - QG2 ILE 101 5.263% * 3.6417% (0.18 0.30 0.02) = 3.642% kept HA HIS+ 8 - QG2 ILE 101 5.263% * 0.6641% (0.49 0.02 0.02) = 0.664% HA LYS+ 108 - QG2 ILE 101 5.263% * 0.6641% (0.49 0.02 0.02) = 0.664% HA GLU- 54 - QG2 ILE 101 5.263% * 0.6090% (0.45 0.02 0.02) = 0.609% HA HIS+ 4 - QG2 ILE 101 5.263% * 0.5864% (0.43 0.02 0.02) = 0.586% HA SER 49 - QG2 ILE 101 5.263% * 0.5622% (0.41 0.02 0.02) = 0.562% HA GLU- 18 - QG2 ILE 101 5.263% * 0.5365% (0.39 0.02 0.02) = 0.537% HA2 GLY 114 - QG2 ILE 101 5.263% * 0.5098% (0.37 0.02 0.02) = 0.510% HA GLU- 56 - QG2 ILE 101 5.263% * 0.4258% (0.31 0.02 0.02) = 0.426% HA ALA 42 - QG2 ILE 101 5.263% * 0.2886% (0.21 0.02 0.02) = 0.289% HA LYS+ 110 - QG2 ILE 101 5.263% * 0.2635% (0.19 0.02 0.02) = 0.263% HA GLU- 12 - QG2 ILE 101 5.263% * 0.2167% (0.16 0.02 0.02) = 0.217% HA ALA 11 - QG2 ILE 101 5.263% * 0.1230% (0.09 0.02 0.02) = 0.123% HA ARG+ 84 - QG2 ILE 101 5.263% * 0.1083% (0.08 0.02 0.02) = 0.108% HA LYS+ 44 - QG2 ILE 101 5.263% * 0.0965% (0.07 0.02 0.02) = 0.097% Peak 760 (4.15, 0.67, 17.97 ppm): 5 chemical-shift based assignments, quality = 0.157, support = 0.792, residual support = 0.383: HA ASN 89 - QG2 ILE 101 20.000% * 51.4423% (0.19 1.00 0.98 0.40) = 51.442% kept HB2 SER 88 - QG2 ILE 101 20.000% * 25.4849% (0.16 1.00 0.57 0.20) = 25.485% kept HD2 PRO 59 - QG2 ILE 101 20.000% * 17.7951% (0.08 1.00 0.80 0.70) = 17.795% kept T HA LYS+ 44 - QG2 ILE 101 20.000% * 4.6251% (0.08 10.00 0.02 0.02) = 4.625% kept HA2 GLY 71 - QG2 ILE 101 20.000% * 0.6527% (0.12 1.00 0.02 0.02) = 0.653% 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): 8 chemical-shift based assignments, quality = 0.0967, support = 0.436, residual support = 0.178: HA ASN 89 - QG2 ILE 101 12.500% * 41.3166% (0.08 1.00 0.98 0.40) = 41.317% kept T HA ILE 48 - QG2 ILE 101 12.500% * 25.6629% (0.05 10.00 0.10 0.02) = 25.663% kept T HA1 GLY 71 - QG2 ILE 101 12.500% * 19.9206% (0.19 10.00 0.02 0.02) = 19.921% kept T HA VAL 62 - QG2 ILE 101 12.500% * 8.6574% (0.08 10.00 0.02 0.02) = 8.657% kept HD3 PRO 31 - QG2 ILE 101 12.500% * 1.9440% (0.18 1.00 0.02 0.02) = 1.944% kept HA VAL 80 - QG2 ILE 101 12.500% * 1.8886% (0.18 1.00 0.02 0.02) = 1.889% kept HB THR 79 - QG2 ILE 101 12.500% * 0.3249% (0.03 1.00 0.02 0.02) = 0.325% HB2 SER 69 - QG2 ILE 101 12.500% * 0.2850% (0.03 1.00 0.02 0.02) = 0.285% Not enough quality. 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): 7 chemical-shift based assignments, quality = 0.575, support = 0.491, residual support = 3.17: HB VAL 99 - QG2 ILE 100 14.286% * 41.0241% (0.24 0.94 7.71) = 41.024% kept HB2 HIS+ 8 - QG2 ILE 100 14.286% * 39.0453% (0.86 0.25 0.02) = 39.045% kept HB3 MET 97 - QG2 ILE 100 14.286% * 10.8716% (0.75 0.08 0.02) = 10.872% kept HG3 ARG+ 84 - QG2 ILE 100 14.286% * 3.1278% (0.86 0.02 0.02) = 3.128% kept HB3 MET 126 - QG2 ILE 100 14.286% * 2.5269% (0.69 0.02 0.02) = 2.527% kept HB3 ARG+ 22 - QG2 ILE 100 14.286% * 2.5269% (0.69 0.02 0.02) = 2.527% kept HD3 LYS+ 55 - QG2 ILE 100 14.286% * 0.8774% (0.24 0.02 0.02) = 0.877% Peak 782 (1.63, 0.71, 17.86 ppm): 13 chemical-shift based assignments, quality = 0.549, support = 2.26, residual support = 24.4: O HG12 ILE 101 - QG2 ILE 101 7.692% * 94.0195% (0.55 10.0 1.00 2.34 25.40) = 94.019% kept HB ILE 100 - QG2 ILE 101 7.692% * 5.2905% (0.55 1.0 1.00 1.13 9.15) = 5.290% kept T HB2 HIS+ 8 - QG2 ILE 101 7.692% * 0.2213% (0.13 1.0 10.00 0.02 0.02) = 0.221% HG LEU 23 - QG2 ILE 101 7.692% * 0.0974% (0.57 1.0 1.00 0.02 0.55) = 0.097% HB2 LEU 67 - QG2 ILE 101 7.692% * 0.0940% (0.55 1.0 1.00 0.02 0.02) = 0.094% HG3 LYS+ 78 - QG2 ILE 101 7.692% * 0.0683% (0.40 1.0 1.00 0.02 0.02) = 0.068% HB3 ARG+ 22 - QG2 ILE 101 7.692% * 0.0484% (0.28 1.0 1.00 0.02 0.02) = 0.048% HB3 MET 97 - QG2 ILE 101 7.692% * 0.0409% (0.24 1.0 1.00 0.02 0.02) = 0.041% HG2 LYS+ 110 - QG2 ILE 101 7.692% * 0.0339% (0.20 1.0 1.00 0.02 0.02) = 0.034% HG3 LYS+ 110 - QG2 ILE 101 7.692% * 0.0307% (0.18 1.0 1.00 0.02 0.02) = 0.031% HG3 ARG+ 84 - QG2 ILE 101 7.692% * 0.0221% (0.13 1.0 1.00 0.02 0.02) = 0.022% HB3 LEU 17 - QG2 ILE 101 7.692% * 0.0197% (0.12 1.0 1.00 0.02 0.02) = 0.020% HD3 LYS+ 32 - QG2 ILE 101 7.692% * 0.0135% (0.08 1.0 1.00 0.02 0.02) = 0.013% Peak 786 (1.40, 0.86, 17.83 ppm): 12 chemical-shift based assignments, quality = 0.411, support = 2.11, residual support = 7.92: T HG LEU 74 - QG2 ILE 100 8.333% * 95.9006% (0.40 10.00 2.19 8.25) = 95.901% kept HD3 LYS+ 20 - QG2 ILE 100 8.333% * 2.9531% (0.80 1.00 0.31 0.11) = 2.953% kept QB ALA 42 - QG2 ILE 100 8.333% * 0.2200% (0.93 1.00 0.02 0.02) = 0.220% QB ALA 37 - QG2 ILE 100 8.333% * 0.2104% (0.89 1.00 0.02 0.02) = 0.210% QG2 THR 38 - QG2 ILE 100 8.333% * 0.2104% (0.89 1.00 0.02 0.02) = 0.210% HG3 LYS+ 108 - QG2 ILE 100 8.333% * 0.1199% (0.50 1.00 0.02 0.02) = 0.120% HD3 LYS+ 44 - QG2 ILE 100 8.333% * 0.1199% (0.50 1.00 0.02 0.02) = 0.120% HB2 LYS+ 20 - QG2 ILE 100 8.333% * 0.0704% (0.30 1.00 0.02 0.11) = 0.070% QG2 THR 39 - QG2 ILE 100 8.333% * 0.0568% (0.24 1.00 0.02 0.02) = 0.057% HD3 LYS+ 113 - QG2 ILE 100 8.333% * 0.0568% (0.24 1.00 0.02 0.11) = 0.057% HG3 LYS+ 55 - QG2 ILE 100 8.333% * 0.0507% (0.21 1.00 0.02 0.02) = 0.051% HG2 LYS+ 78 - QG2 ILE 100 8.333% * 0.0308% (0.13 1.00 0.02 0.02) = 0.031% Peak 789 (1.29, 0.72, 17.82 ppm): 6 chemical-shift based assignments, quality = 0.319, support = 3.27, residual support = 12.0: T HG LEU 74 - QG2 ILE 101 16.667% * 92.3029% (0.32 10.00 3.43 12.00) = 92.303% kept HB3 LEU 74 - QG2 ILE 101 16.667% * 7.3678% (0.35 1.00 1.46 12.00) = 7.368% kept HB2 LYS+ 55 - QG2 ILE 101 16.667% * 0.1262% (0.43 1.00 0.02 0.02) = 0.126% QG2 THR 46 - QG2 ILE 101 16.667% * 0.1196% (0.41 1.00 0.02 0.02) = 0.120% QB ALA 103 - QG2 ILE 101 16.667% * 0.0520% (0.18 1.00 0.02 1.36) = 0.052% HG2 LYS+ 32 - QG2 ILE 101 16.667% * 0.0315% (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): 11 chemical-shift based assignments, quality = 0.229, support = 1.92, residual support = 11.1: T HA ASN 89 - HA SER 88 9.091% * 58.4390% (0.27 1.0 10.00 2.06 10.57) = 58.439% kept O T HB3 SER 88 - HA SER 88 9.091% * 35.9398% (0.17 10.0 10.00 1.78 11.96) = 35.940% kept HA VAL 87 - HA SER 88 9.091% * 4.0500% (0.20 1.0 1.00 1.86 15.95) = 4.050% kept T HA VAL 125 - HA SER 88 9.091% * 0.6292% (0.30 1.0 10.00 0.02 0.02) = 0.629% T HB2 SER 85 - HA SER 88 9.091% * 0.6005% (0.28 1.0 10.00 0.02 0.02) = 0.601% T HB3 SER 77 - HA SER 88 9.091% * 0.1399% (0.07 1.0 10.00 0.02 0.02) = 0.140% HD2 PRO 116 - HA SER 88 9.091% * 0.0613% (0.29 1.0 1.00 0.02 0.21) = 0.061% HD2 PRO 86 - HA SER 88 9.091% * 0.0586% (0.27 1.0 1.00 0.02 0.02) = 0.059% HA LYS+ 44 - HA SER 88 9.091% * 0.0446% (0.21 1.0 1.00 0.02 0.21) = 0.045% HA ILE 48 - HA SER 88 9.091% * 0.0245% (0.12 1.0 1.00 0.02 0.02) = 0.025% HD3 PRO 86 - HA SER 88 9.091% * 0.0126% (0.06 1.0 1.00 0.02 0.02) = 0.013% Peak 818 (1.37, 4.38, 59.17 ppm): 11 chemical-shift based assignments, quality = 0.319, support = 0.468, residual support = 0.0601: QB ALA 91 - HA SER 88 9.091% * 25.5850% (0.39 0.53 0.02) = 25.585% kept HG13 ILE 19 - HA SER 88 9.091% * 23.7073% (0.30 0.64 0.19) = 23.707% kept HG LEU 74 - HA SER 88 9.091% * 15.5980% (0.23 0.56 0.02) = 15.598% kept HB3 LYS+ 20 - HA SER 88 9.091% * 15.2523% (0.42 0.29 0.02) = 15.252% kept HB2 LYS+ 20 - HA SER 88 9.091% * 10.3805% (0.32 0.27 0.02) = 10.380% kept HG3 LYS+ 20 - HA SER 88 9.091% * 6.3745% (0.18 0.29 0.02) = 6.374% kept HG2 LYS+ 78 - HA SER 88 9.091% * 1.0143% (0.41 0.02 0.02) = 1.014% kept QG2 THR 39 - HA SER 88 9.091% * 0.8586% (0.35 0.02 0.02) = 0.859% HG3 ARG+ 22 - HA SER 88 9.091% * 0.7786% (0.32 0.02 0.02) = 0.779% HD3 LYS+ 20 - HA SER 88 9.091% * 0.2387% (0.10 0.02 0.02) = 0.239% HB2 LEU 17 - HA SER 88 9.091% * 0.2122% (0.09 0.02 0.02) = 0.212% Peak 824 (0.89, 4.38, 59.13 ppm): 14 chemical-shift based assignments, quality = 0.25, support = 1.44, residual support = 7.48: QG2 VAL 87 - HA SER 88 7.143% * 46.8439% (0.26 2.55 15.95) = 46.844% kept QG2 VAL 105 - HA SER 88 7.143% * 11.4947% (0.32 0.50 0.02) = 11.495% kept HG13 ILE 68 - HA SER 88 7.143% * 10.1900% (0.24 0.59 0.02) = 10.190% kept QD1 LEU 67 - HA SER 88 7.143% * 9.1090% (0.27 0.46 0.02) = 9.109% kept HG LEU 74 - HA SER 88 7.143% * 9.0125% (0.22 0.56 0.02) = 9.012% kept QG1 VAL 47 - HA SER 88 7.143% * 6.5149% (0.31 0.30 0.02) = 6.515% kept QD1 LEU 90 - HA SER 88 7.143% * 3.5480% (0.11 0.47 0.02) = 3.548% kept QG1 VAL 80 - HA SER 88 7.143% * 0.6049% (0.42 0.02 0.02) = 0.605% QG1 VAL 122 - HA SER 88 7.143% * 0.5943% (0.41 0.02 0.02) = 0.594% QG2 VAL 47 - HA SER 88 7.143% * 0.5437% (0.38 0.02 0.02) = 0.544% QG2 VAL 125 - HA SER 88 7.143% * 0.5259% (0.37 0.02 0.02) = 0.526% QG1 VAL 40 - HA SER 88 7.143% * 0.5064% (0.35 0.02 0.02) = 0.506% QG2 VAL 122 - HA SER 88 7.143% * 0.3432% (0.24 0.02 0.02) = 0.343% QG2 ILE 100 - HA SER 88 7.143% * 0.1686% (0.12 0.02 0.15) = 0.169% Peak 827 (9.04, 0.95, 17.31 ppm): 4 chemical-shift based assignments, quality = 0.751, support = 3.23, residual support = 8.69: HN GLY 30 - QG2 ILE 29 25.000% * 46.4325% (0.83 3.71 10.68) = 46.432% kept HN GLY 30 - HG12 ILE 29 25.000% * 34.9193% (0.60 3.86 10.68) = 34.919% kept HN THR 79 - QG2 ILE 29 25.000% * 13.2495% (0.90 0.99 0.02) = 13.250% kept HN THR 79 - HG12 ILE 29 25.000% * 5.3987% (0.65 0.56 0.02) = 5.399% kept Peak 828 (7.85, 4.09, 58.60 ppm): 6 chemical-shift based assignments, quality = 0.119, support = 3.47, residual support = 17.5: O HN LYS+ 63 - HA LYS+ 63 16.667% * 99.5316% (0.12 10.0 3.48 17.58) = 99.532% kept HD22 ASN 89 - HA LYS+ 63 16.667% * 0.1323% (0.16 1.0 0.02 0.02) = 0.132% HD22 ASN 89 - HA ARG+ 53 16.667% * 0.1000% (0.12 1.0 0.02 0.02) = 0.100% HN THR 38 - HA LYS+ 63 16.667% * 0.0917% (0.11 1.0 0.02 0.02) = 0.092% HN LYS+ 63 - HA ARG+ 53 16.667% * 0.0752% (0.09 1.0 0.02 0.02) = 0.075% HN THR 38 - HA ARG+ 53 16.667% * 0.0693% (0.08 1.0 0.02 0.02) = 0.069% Peak 829 (6.89, 0.94, 17.30 ppm): 6 chemical-shift based assignments, quality = 0.8, support = 1.95, residual support = 8.64: HD22 ASN 15 - QG2 ILE 29 16.667% * 29.6940% (0.98 2.16 3.40) = 29.694% kept QD PHE 21 - QG2 ILE 29 16.667% * 22.1647% (0.83 1.91 16.57) = 22.165% kept HD22 ASN 15 - HG12 ILE 29 16.667% * 20.7234% (0.75 1.97 3.40) = 20.723% kept QD PHE 21 - HG12 ILE 29 16.667% * 19.6320% (0.63 2.21 16.57) = 19.632% kept HD21 ASN 119 - HG12 ILE 29 16.667% * 4.3098% (0.49 0.63 0.02) = 4.310% kept HD21 ASN 119 - QG2 ILE 29 16.667% * 3.4760% (0.64 0.39 0.02) = 3.476% kept Peak 849 (4.31, 0.94, 17.30 ppm): 18 chemical-shift based assignments, quality = 0.847, support = 4.95, residual support = 62.9: O T HA ILE 29 - QG2 ILE 29 5.556% * 55.3517% (0.98 10.0 10.00 5.19 65.06) = 55.352% kept O T HA ILE 29 - HG12 ILE 29 5.556% * 41.2626% (0.73 10.0 10.00 5.05 65.06) = 41.263% kept HA ASN 89 - HG12 ILE 29 5.556% * 0.9502% (0.62 1.0 1.00 0.54 0.02) = 0.950% HA ASN 89 - QG2 ILE 29 5.556% * 0.7881% (0.84 1.0 1.00 0.33 0.02) = 0.788% T HA VAL 73 - QG2 ILE 29 5.556% * 0.4808% (0.85 1.0 10.00 0.02 0.02) = 0.481% T HA VAL 73 - HG12 ILE 29 5.556% * 0.3584% (0.64 1.0 10.00 0.02 0.02) = 0.358% T HA VAL 94 - QG2 ILE 29 5.556% * 0.1243% (0.22 1.0 10.00 0.02 0.02) = 0.124% T HA THR 106 - QG2 ILE 29 5.556% * 0.1243% (0.22 1.0 10.00 0.02 0.02) = 0.124% T HB THR 61 - QG2 ILE 29 5.556% * 0.0978% (0.17 1.0 10.00 0.02 0.02) = 0.098% T HA VAL 94 - HG12 ILE 29 5.556% * 0.0927% (0.16 1.0 10.00 0.02 0.02) = 0.093% T HA THR 106 - HG12 ILE 29 5.556% * 0.0927% (0.16 1.0 10.00 0.02 0.02) = 0.093% T HB THR 61 - HG12 ILE 29 5.556% * 0.0729% (0.13 1.0 10.00 0.02 0.02) = 0.073% HA PRO 112 - QG2 ILE 29 5.556% * 0.0528% (0.94 1.0 1.00 0.02 0.02) = 0.053% HA PRO 104 - QG2 ILE 29 5.556% * 0.0447% (0.79 1.0 1.00 0.02 0.02) = 0.045% HA PRO 112 - HG12 ILE 29 5.556% * 0.0394% (0.70 1.0 1.00 0.02 0.02) = 0.039% HA PRO 104 - HG12 ILE 29 5.556% * 0.0333% (0.59 1.0 1.00 0.02 0.02) = 0.033% HA LEU 90 - QG2 ILE 29 5.556% * 0.0190% (0.34 1.0 1.00 0.02 0.02) = 0.019% HA LEU 90 - HG12 ILE 29 5.556% * 0.0142% (0.25 1.0 1.00 0.02 0.02) = 0.014% Peak 851 (4.10, 1.48, 17.39 ppm): 9 chemical-shift based assignments, quality = 0.74, support = 1.92, residual support = 12.1: O T HA ALA 70 - QB ALA 70 11.111% * 95.3511% (0.75 10.0 10.00 2.00 12.66) = 95.351% kept HB THR 106 - QB ALA 70 11.111% * 1.6428% (0.51 1.0 1.00 0.51 0.02) = 1.643% kept HA VAL 105 - QB ALA 70 11.111% * 1.5361% (0.83 1.0 1.00 0.29 0.02) = 1.536% kept HA ASN 89 - QB ALA 70 11.111% * 0.6645% (0.84 1.0 1.00 0.13 0.02) = 0.665% HA LYS+ 44 - QB ALA 70 11.111% * 0.4401% (0.56 1.0 1.00 0.13 0.02) = 0.440% T HA LYS+ 63 - QB ALA 70 11.111% * 0.2104% (0.17 1.0 10.00 0.02 0.02) = 0.210% HA THR 46 - QB ALA 70 11.111% * 0.0888% (0.70 1.0 1.00 0.02 0.02) = 0.089% HA ARG+ 53 - QB ALA 70 11.111% * 0.0518% (0.41 1.0 1.00 0.02 0.02) = 0.052% HD2 PRO 59 - QB ALA 70 11.111% * 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 = 0.795, support = 2.97, residual support = 16.1: HB3 ASP- 28 - QG2 ILE 29 16.667% * 34.2480% (0.98 3.34 23.50) = 34.248% kept HB3 ASP- 28 - HG12 ILE 29 16.667% * 32.2726% (0.71 4.33 23.50) = 32.273% kept HB2 LYS+ 78 - HG12 ILE 29 16.667% * 10.7162% (0.69 1.48 0.19) = 10.716% kept HA1 GLY 58 - HG12 ILE 29 16.667% * 8.4472% (0.49 1.63 2.32) = 8.447% kept HA1 GLY 58 - QG2 ILE 29 16.667% * 8.2705% (0.68 1.16 2.32) = 8.271% kept HB2 LYS+ 78 - QG2 ILE 29 16.667% * 6.0455% (0.95 0.60 0.19) = 6.045% 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 = 5.02, residual support = 62.9: O T HB ILE 29 - QG2 ILE 29 3.571% * 57.0618% (0.92 10.0 10.00 4.93 65.06) = 57.062% kept O T HB ILE 29 - HG12 ILE 29 3.571% * 39.3162% (0.64 10.0 10.00 5.58 65.06) = 39.316% kept HB2 LEU 23 - QG2 ILE 29 3.571% * 1.7254% (1.00 1.0 1.00 0.56 8.51) = 1.725% kept HB2 LEU 23 - HG12 ILE 29 3.571% * 1.1619% (0.69 1.0 1.00 0.55 8.51) = 1.162% kept HB3 PRO 35 - QG2 ILE 29 3.571% * 0.0613% (0.99 1.0 1.00 0.02 0.02) = 0.061% HB3 GLU- 56 - QG2 ILE 29 3.571% * 0.0613% (0.99 1.0 1.00 0.02 0.31) = 0.061% HD3 LYS+ 63 - QG2 ILE 29 3.571% * 0.0536% (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) = 0.042% HB2 PRO 116 - QG2 ILE 29 3.571% * 0.0425% (0.69 1.0 1.00 0.02 0.02) = 0.042% HB3 GLU- 56 - HG12 ILE 29 3.571% * 0.0422% (0.68 1.0 1.00 0.02 0.31) = 0.042% HB3 PRO 35 - HG12 ILE 29 3.571% * 0.0422% (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) = 0.037% HD3 LYS+ 63 - HG12 ILE 29 3.571% * 0.0369% (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% * 0.0258% (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% * 0.0207% (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% * 0.0122% (0.20 1.0 1.00 0.02 0.45) = 0.012% HB3 CYS 123 - HG12 ILE 29 3.571% * 0.0118% (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 0.45) = 0.008% Peak 901 (1.79, 4.09, 58.63 ppm): 28 chemical-shift based assignments, quality = 0.26, support = 1.94, residual support = 15.1: O HB3 LYS+ 63 - HA LYS+ 63 3.571% * 73.2143% (0.32 10.0 1.93 17.58) = 73.214% kept O HB3 ARG+ 53 - HA ARG+ 53 3.571% * 21.0326% (0.09 10.0 2.40 10.62) = 21.033% kept HB2 LYS+ 117 - HA LYS+ 63 3.571% * 1.3697% (0.32 1.0 0.36 0.02) = 1.370% kept HB3 LYS+ 117 - HA LYS+ 63 3.571% * 1.3427% (0.31 1.0 0.36 0.02) = 1.343% kept HD3 LYS+ 72 - HA LYS+ 63 3.571% * 1.2286% (0.11 1.0 0.93 0.18) = 1.229% kept HB3 PRO 116 - HA LYS+ 63 3.571% * 0.8556% (0.28 1.0 0.26 0.02) = 0.856% HB3 HIS+ 7 - HA LYS+ 63 3.571% * 0.0771% (0.32 1.0 0.02 0.02) = 0.077% HB3 LYS+ 113 - HA LYS+ 63 3.571% * 0.0766% (0.32 1.0 0.02 0.02) = 0.077% HB3 LYS+ 108 - HA LYS+ 63 3.571% * 0.0758% (0.32 1.0 0.02 0.02) = 0.076% HB3 LYS+ 44 - HA LYS+ 63 3.571% * 0.0693% (0.29 1.0 0.02 0.02) = 0.069% HG2 PRO 31 - HA LYS+ 63 3.571% * 0.0693% (0.29 1.0 0.02 0.02) = 0.069% HB3 HIS+ 7 - HA ARG+ 53 3.571% * 0.0468% (0.20 1.0 0.02 0.02) = 0.047% HB2 LYS+ 117 - HA ARG+ 53 3.571% * 0.0465% (0.19 1.0 0.02 0.02) = 0.046% HB3 LYS+ 113 - HA ARG+ 53 3.571% * 0.0465% (0.19 1.0 0.02 0.02) = 0.046% HB3 LYS+ 108 - HA ARG+ 53 3.571% * 0.0460% (0.19 1.0 0.02 0.02) = 0.046% HB3 LYS+ 63 - HA ARG+ 53 3.571% * 0.0460% (0.19 1.0 0.02 0.02) = 0.046% HB3 LYS+ 117 - HA ARG+ 53 3.571% * 0.0453% (0.19 1.0 0.02 0.02) = 0.045% HB3 LYS+ 44 - HA ARG+ 53 3.571% * 0.0421% (0.18 1.0 0.02 0.02) = 0.042% HG2 PRO 31 - HA ARG+ 53 3.571% * 0.0421% (0.18 1.0 0.02 0.02) = 0.042% HB3 PRO 116 - HA ARG+ 53 3.571% * 0.0407% (0.17 1.0 0.02 0.02) = 0.041% HB2 GLU- 109 - HA LYS+ 63 3.571% * 0.0346% (0.14 1.0 0.02 0.02) = 0.035% HB3 GLU- 18 - HA LYS+ 63 3.571% * 0.0346% (0.14 1.0 0.02 0.02) = 0.035% HB3 ARG+ 53 - HA LYS+ 63 3.571% * 0.0346% (0.14 1.0 0.02 0.02) = 0.035% HB2 GLU- 109 - HA ARG+ 53 3.571% * 0.0210% (0.09 1.0 0.02 0.02) = 0.021% HB3 GLU- 18 - HA ARG+ 53 3.571% * 0.0210% (0.09 1.0 0.02 0.02) = 0.021% HD3 LYS+ 72 - HA ARG+ 53 3.571% * 0.0160% (0.07 1.0 0.02 0.02) = 0.016% HD3 LYS+ 117 - HA LYS+ 63 3.571% * 0.0153% (0.06 1.0 0.02 0.02) = 0.015% HD3 LYS+ 117 - HA ARG+ 53 3.571% * 0.0093% (0.04 1.0 0.02 0.02) = 0.009% Peak 905 (1.74, 0.95, 17.40 ppm): 12 chemical-shift based assignments, quality = 0.515, support = 1.76, residual support = 2.3: HB ILE 48 - QG2 ILE 29 8.333% * 31.3980% (0.60 2.09 3.79) = 31.398% kept HB ILE 48 - HG12 ILE 29 8.333% * 21.5797% (0.29 2.93 3.79) = 21.580% kept HB3 GLU- 50 - QG2 ILE 29 8.333% * 17.1299% (0.92 0.74 0.65) = 17.130% kept HB2 GLN 16 - QG2 ILE 29 8.333% * 11.8075% (0.42 1.14 0.61) = 11.808% kept HB3 GLU- 50 - HG12 ILE 29 8.333% * 8.7520% (0.45 0.77 0.65) = 8.752% kept HB2 GLN 16 - HG12 ILE 29 8.333% * 8.6447% (0.20 1.69 0.61) = 8.645% kept HB VAL 94 - QG2 ILE 29 8.333% * 0.1741% (0.35 0.02 0.02) = 0.174% HB2 HIS+ 7 - QG2 ILE 29 8.333% * 0.1583% (0.32 0.02 0.02) = 0.158% HB2 ARG+ 84 - QG2 ILE 29 8.333% * 0.1290% (0.26 0.02 0.02) = 0.129% HB VAL 94 - HG12 ILE 29 8.333% * 0.0856% (0.17 0.02 0.02) = 0.086% HB2 HIS+ 7 - HG12 ILE 29 8.333% * 0.0778% (0.16 0.02 0.02) = 0.078% HB2 ARG+ 84 - HG12 ILE 29 8.333% * 0.0634% (0.13 0.02 0.02) = 0.063% Peak 910 (1.58, 0.95, 17.36 ppm): 24 chemical-shift based assignments, quality = 0.522, support = 2.45, residual support = 18.5: T HG LEU 17 - QG2 ILE 29 4.167% * 51.3904% (0.74 1.0 10.00 1.85 5.11) = 51.390% kept T HG LEU 17 - HG12 ILE 29 4.167% * 24.8672% (0.42 1.0 10.00 1.59 5.11) = 24.867% kept O HG13 ILE 29 - QG2 ILE 29 4.167% * 14.3967% (0.19 10.0 1.00 4.69 65.06) = 14.397% kept O HG13 ILE 29 - HG12 ILE 29 4.167% * 8.1051% (0.11 10.0 1.00 5.33 65.06) = 8.105% kept T HD3 LYS+ 60 - QG2 ILE 29 4.167% * 0.4997% (0.67 1.0 10.00 0.02 0.02) = 0.500% T HD3 LYS+ 60 - HG12 ILE 29 4.167% * 0.2813% (0.38 1.0 10.00 0.02 0.02) = 0.281% HB3 LYS+ 32 - QG2 ILE 29 4.167% * 0.0631% (0.84 1.0 1.00 0.02 0.02) = 0.063% HG3 LYS+ 60 - QG2 ILE 29 4.167% * 0.0608% (0.81 1.0 1.00 0.02 0.02) = 0.061% HB ILE 19 - QG2 ILE 29 4.167% * 0.0583% (0.78 1.0 1.00 0.02 0.02) = 0.058% HB3 LYS+ 32 - HG12 ILE 29 4.167% * 0.0355% (0.47 1.0 1.00 0.02 0.02) = 0.036% HG3 LYS+ 60 - HG12 ILE 29 4.167% * 0.0342% (0.46 1.0 1.00 0.02 0.02) = 0.034% HB ILE 19 - HG12 ILE 29 4.167% * 0.0328% (0.44 1.0 1.00 0.02 0.02) = 0.033% HD3 LYS+ 32 - QG2 ILE 29 4.167% * 0.0273% (0.36 1.0 1.00 0.02 0.02) = 0.027% HB3 LEU 90 - QG2 ILE 29 4.167% * 0.0202% (0.27 1.0 1.00 0.02 0.02) = 0.020% HB3 LEU 9 - QG2 ILE 29 4.167% * 0.0202% (0.27 1.0 1.00 0.02 0.02) = 0.020% HB3 LEU 17 - QG2 ILE 29 4.167% * 0.0202% (0.27 1.0 1.00 0.02 5.11) = 0.020% HD3 LYS+ 32 - HG12 ILE 29 4.167% * 0.0154% (0.21 1.0 1.00 0.02 0.02) = 0.015% HG3 LYS+ 110 - QG2 ILE 29 4.167% * 0.0127% (0.17 1.0 1.00 0.02 0.02) = 0.013% HB3 LEU 90 - HG12 ILE 29 4.167% * 0.0114% (0.15 1.0 1.00 0.02 0.02) = 0.011% HB3 LEU 17 - HG12 ILE 29 4.167% * 0.0114% (0.15 1.0 1.00 0.02 5.11) = 0.011% HB3 LEU 9 - HG12 ILE 29 4.167% * 0.0114% (0.15 1.0 1.00 0.02 0.02) = 0.011% HG2 LYS+ 110 - QG2 ILE 29 4.167% * 0.0112% (0.15 1.0 1.00 0.02 0.02) = 0.011% HG3 LYS+ 110 - HG12 ILE 29 4.167% * 0.0072% (0.10 1.0 1.00 0.02 0.02) = 0.007% HG2 LYS+ 110 - HG12 ILE 29 4.167% * 0.0063% (0.08 1.0 1.00 0.02 0.02) = 0.006% Peak 911 (1.50, 4.07, 58.65 ppm): 7 chemical-shift based assignments, quality = 0.256, support = 0.548, residual support = 0.49: HG3 LYS+ 72 - HA LYS+ 63 14.286% * 53.6079% (0.35 1.00 0.47 0.18) = 53.608% kept HG LEU 74 - HA LYS+ 63 14.286% * 27.6807% (0.08 1.00 1.06 1.40) = 27.681% kept T QB ALA 70 - HA LYS+ 63 14.286% * 11.3959% (0.18 10.00 0.02 0.02) = 11.396% kept HD3 LYS+ 108 - HA LYS+ 63 14.286% * 2.5362% (0.39 1.00 0.02 0.02) = 2.536% kept HB2 LYS+ 72 - HA LYS+ 63 14.286% * 2.4531% (0.38 1.00 0.02 0.18) = 2.453% kept HG LEU 43 - HA LYS+ 63 14.286% * 1.5417% (0.24 1.00 0.02 0.02) = 1.542% kept HG LEU 9 - HA LYS+ 63 14.286% * 0.7845% (0.12 1.00 0.02 0.02) = 0.785% 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 = 3.27, residual support = 18.6: O HN GLU- 54 - HA ARG+ 53 50.000% * 99.8851% (0.19 10.0 3.28 18.64) = 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): 9 chemical-shift based assignments, quality = 0.296, support = 2.45, residual support = 10.4: O HN ARG+ 53 - HA ARG+ 53 11.111% * 98.4029% (0.30 10.0 2.49 10.62) = 98.403% kept HN GLU- 75 - HA ARG+ 53 11.111% * 1.1262% (0.28 1.0 0.24 0.02) = 1.126% kept HN LEU 74 - HA ARG+ 53 11.111% * 0.1155% (0.35 1.0 0.02 0.02) = 0.115% HN CYS 123 - HA ARG+ 53 11.111% * 0.0935% (0.28 1.0 0.02 0.02) = 0.093% HN LYS+ 113 - HA ARG+ 53 11.111% * 0.0677% (0.20 1.0 0.02 0.02) = 0.068% HN HIS+ 14 - HA ARG+ 53 11.111% * 0.0627% (0.19 1.0 0.02 0.02) = 0.063% HN HIS+ 6 - HA ARG+ 53 11.111% * 0.0577% (0.17 1.0 0.02 0.02) = 0.058% HN GLU- 107 - HA ARG+ 53 11.111% * 0.0483% (0.15 1.0 0.02 0.02) = 0.048% HN GLY 92 - HA ARG+ 53 11.111% * 0.0255% (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): 14 chemical-shift based assignments, quality = 0.185, support = 0.818, residual support = 3.67: HA PRO 52 - HA ARG+ 53 7.143% * 81.4986% (0.19 1.00 4.50) = 81.499% kept HA THR 106 - HA ARG+ 53 7.143% * 2.2397% (0.25 0.02 0.02) = 2.240% kept HA LEU 90 - HA ARG+ 53 7.143% * 2.1234% (0.24 0.02 0.02) = 2.123% kept HA ASN 89 - HA ARG+ 53 7.143% * 1.9604% (0.22 0.02 0.02) = 1.960% kept HA ALA 91 - HA ARG+ 53 7.143% * 1.7154% (0.20 0.02 0.02) = 1.715% kept HA SER 85 - HA ARG+ 53 7.143% * 1.6300% (0.19 0.02 0.02) = 1.630% kept HD3 PRO 59 - HA ARG+ 53 7.143% * 1.6300% (0.19 0.02 0.02) = 1.630% kept HA VAL 73 - HA ARG+ 53 7.143% * 1.6091% (0.18 0.02 0.02) = 1.609% kept HA VAL 65 - HA ARG+ 53 7.143% * 1.4521% (0.17 0.02 0.02) = 1.452% kept HA ARG+ 84 - HA ARG+ 53 7.143% * 1.3615% (0.15 0.02 0.02) = 1.361% kept HA PRO 104 - HA ARG+ 53 7.143% * 1.1810% (0.13 0.02 0.02) = 1.181% kept HA GLU- 75 - HA ARG+ 53 7.143% * 0.6928% (0.08 0.02 0.02) = 0.693% HA ILE 29 - HA ARG+ 53 7.143% * 0.5597% (0.06 0.02 0.02) = 0.560% HA GLU- 56 - HA ARG+ 53 7.143% * 0.3463% (0.04 0.02 0.02) = 0.346% 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): 13 chemical-shift based assignments, quality = 0.156, support = 1.12, residual support = 13.7: HB3 GLU- 54 - HA ARG+ 53 7.692% * 73.2544% (0.17 1.42 18.64) = 73.254% kept HD3 LYS+ 63 - HA ARG+ 53 7.692% * 17.3302% (0.12 0.49 0.02) = 17.330% kept HB3 CYS 123 - HA ARG+ 53 7.692% * 1.3502% (0.22 0.02 0.02) = 1.350% kept HG2 GLU- 18 - HA ARG+ 53 7.692% * 1.2801% (0.21 0.02 0.02) = 1.280% kept HB3 MET 118 - HA ARG+ 53 7.692% * 1.2136% (0.20 0.02 0.02) = 1.214% kept HB3 GLN 16 - HA ARG+ 53 7.692% * 1.1738% (0.19 0.02 0.02) = 1.174% kept HB2 GLU- 10 - HA ARG+ 53 7.692% * 0.9826% (0.16 0.02 0.02) = 0.983% HB3 GLN 102 - HA ARG+ 53 7.692% * 0.9826% (0.16 0.02 0.02) = 0.983% HG3 LYS+ 120 - HA ARG+ 53 7.692% * 0.7120% (0.12 0.02 0.02) = 0.712% HB3 ARG+ 84 - HA ARG+ 53 7.692% * 0.6587% (0.11 0.02 0.02) = 0.659% HB3 GLU- 56 - HA ARG+ 53 7.692% * 0.4177% (0.07 0.02 0.02) = 0.418% HB2 LEU 23 - HA ARG+ 53 7.692% * 0.3762% (0.06 0.02 0.02) = 0.376% HB3 PRO 35 - HA ARG+ 53 7.692% * 0.2678% (0.04 0.02 0.02) = 0.268% 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 = 0.609, support = 2.96, residual support = 9.62: T HB ILE 68 - HA LEU 43 16.667% * 44.9228% (0.24 10.00 2.52 15.37) = 44.923% kept HG LEU 74 - HA LEU 43 16.667% * 36.9506% (0.96 1.00 4.16 5.32) = 36.951% kept HB2 LEU 74 - HA LEU 43 16.667% * 14.0868% (0.78 1.00 1.95 5.32) = 14.087% kept HG3 PRO 59 - HA LEU 43 16.667% * 3.7406% (0.96 1.00 0.42 0.02) = 3.741% kept QG2 THR 106 - HA LEU 43 16.667% * 0.1616% (0.87 1.00 0.02 0.02) = 0.162% HB3 LYS+ 66 - HA LEU 43 16.667% * 0.1377% (0.74 1.00 0.02 0.02) = 0.138% 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 = 3.53, residual support = 49.3: T QD1 LEU 43 - HA LEU 43 100.000% *100.0000% (0.94 10.00 3.53 49.32) = 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): 12 chemical-shift based assignments, quality = 0.443, support = 3.56, residual support = 20.1: HN SER 49 - QG2 ILE 48 8.333% * 48.7735% (0.36 6.42 39.04) = 48.774% kept HN LEU 67 - QG2 ILE 48 8.333% * 15.0540% (0.53 1.34 6.79) = 15.054% kept HN MET 118 - QG2 ILE 48 8.333% * 8.4260% (0.51 0.78 0.02) = 8.426% kept HN LYS+ 81 - QG2 ILE 48 8.333% * 8.4069% (0.53 0.75 0.02) = 8.407% kept HN THR 106 - QG2 ILE 48 8.333% * 7.4523% (0.59 0.60 0.02) = 7.452% kept HN GLY 58 - QG2 ILE 48 8.333% * 6.2016% (0.46 0.64 0.02) = 6.202% kept HN GLU- 12 - QG2 ILE 48 8.333% * 4.2609% (0.59 0.34 0.02) = 4.261% kept HN ASN 89 - QG2 ILE 48 8.333% * 0.8832% (0.10 0.43 0.02) = 0.883% HN ASP- 115 - QG2 ILE 48 8.333% * 0.2328% (0.55 0.02 0.02) = 0.233% HN GLN 16 - QG2 ILE 48 8.333% * 0.1520% (0.36 0.02 0.02) = 0.152% HN HIS+ 7 - QG2 ILE 48 8.333% * 0.1203% (0.29 0.02 0.02) = 0.120% HN VAL 94 - QG2 ILE 48 8.333% * 0.0363% (0.09 0.02 0.02) = 0.036% Peak 951 (7.31, 0.71, 16.70 ppm): 7 chemical-shift based assignments, quality = 0.521, support = 4.13, residual support = 59.3: HN ILE 48 - QG2 ILE 48 14.286% * 49.6674% (0.49 5.78 110.84) = 49.667% kept HN VAL 47 - QG2 ILE 48 14.286% * 34.1120% (0.57 3.40 12.14) = 34.112% kept HN ARG+ 84 - QG2 ILE 48 14.286% * 6.9317% (0.60 0.66 0.31) = 6.932% kept QD PHE 34 - QG2 ILE 48 14.286% * 6.8736% (0.52 0.76 0.56) = 6.874% kept HZ PHE 34 - QG2 ILE 48 14.286% * 1.4664% (0.20 0.42 0.56) = 1.466% kept QE PHE 34 - QG2 ILE 48 14.286% * 0.8793% (0.20 0.25 0.56) = 0.879% HZ2 TRP 51 - QG2 ILE 48 14.286% * 0.0696% (0.20 0.02 1.20) = 0.070% Peak 952 (4.37, 0.72, 16.75 ppm): 16 chemical-shift based assignments, quality = 0.494, support = 0.414, residual support = 0.224: HA VAL 73 - QG2 ILE 48 6.250% * 55.7909% (0.58 0.60 0.36) = 55.791% kept HA ASN 89 - QG2 ILE 48 6.250% * 17.3517% (0.45 0.24 0.02) = 17.352% kept HA SER 88 - QG2 ILE 48 6.250% * 9.3742% (0.14 0.40 0.02) = 9.374% kept HB3 HIS+ 4 - QG2 ILE 48 6.250% * 1.8698% (0.57 0.02 0.02) = 1.870% kept HA2 GLY 26 - QG2 ILE 48 6.250% * 1.8085% (0.56 0.02 0.02) = 1.808% kept HA THR 38 - QG2 ILE 48 6.250% * 1.8085% (0.56 0.02 0.02) = 1.808% kept HA LYS+ 117 - QG2 ILE 48 6.250% * 1.6806% (0.52 0.02 0.02) = 1.681% kept HA LYS+ 60 - QG2 ILE 48 6.250% * 1.6806% (0.52 0.02 0.02) = 1.681% kept HA ALA 37 - QG2 ILE 48 6.250% * 1.5652% (0.48 0.02 0.02) = 1.565% kept HA MET 1 - QG2 ILE 48 6.250% * 1.5005% (0.46 0.02 0.02) = 1.501% kept HA ASN 57 - QG2 ILE 48 6.250% * 1.5005% (0.46 0.02 0.02) = 1.501% kept HA1 GLY 26 - QG2 ILE 48 6.250% * 1.2872% (0.40 0.02 0.02) = 1.287% kept HA HIS+ 3 - QG2 ILE 48 6.250% * 1.0609% (0.33 0.02 0.02) = 1.061% kept HA TRP 51 - QG2 ILE 48 6.250% * 1.0609% (0.33 0.02 1.20) = 1.061% kept HB THR 61 - QG2 ILE 48 6.250% * 0.3708% (0.11 0.02 4.36) = 0.371% HA VAL 94 - QG2 ILE 48 6.250% * 0.2891% (0.09 0.02 0.02) = 0.289% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 953 (3.44, 0.72, 16.73 ppm): 7 chemical-shift based assignments, quality = 0.462, support = 2.37, residual support = 35.1: T HA VAL 62 - QG2 ILE 48 14.286% * 74.1650% (0.58 1.0 10.00 1.18 10.27) = 74.165% kept O T HA ILE 48 - QG2 ILE 48 14.286% * 24.7954% (0.12 10.0 10.00 6.02 110.84) = 24.795% kept HA ASN 89 - QG2 ILE 48 14.286% * 0.5990% (0.23 1.0 1.00 0.24 0.02) = 0.599% HB THR 79 - QG2 ILE 48 14.286% * 0.1337% (0.62 1.0 1.00 0.02 0.02) = 0.134% HB2 SER 69 - QG2 ILE 48 14.286% * 0.1317% (0.61 1.0 1.00 0.02 0.91) = 0.132% HA THR 39 - QG2 ILE 48 14.286% * 0.1140% (0.53 1.0 1.00 0.02 0.02) = 0.114% HA VAL 80 - QG2 ILE 48 14.286% * 0.0612% (0.28 1.0 1.00 0.02 0.02) = 0.061% Peak 954 (1.74, 0.72, 16.71 ppm): 6 chemical-shift based assignments, quality = 0.372, support = 5.99, residual support = 102.5: O HB ILE 48 - QG2 ILE 48 16.667% * 92.4463% (0.36 10.0 6.42 110.84) = 92.446% kept HB3 GLU- 50 - QG2 ILE 48 16.667% * 6.5285% (0.64 1.0 0.79 0.33) = 6.529% kept HB2 ARG+ 84 - QG2 ILE 48 16.667% * 0.8009% (0.25 1.0 0.24 0.31) = 0.801% HB VAL 94 - QG2 ILE 48 16.667% * 0.0855% (0.33 1.0 0.02 0.02) = 0.086% HB2 HIS+ 7 - QG2 ILE 48 16.667% * 0.0788% (0.30 1.0 0.02 0.02) = 0.079% HB2 GLN 16 - QG2 ILE 48 16.667% * 0.0599% (0.23 1.0 0.02 0.02) = 0.060% Peak 955 (1.47, 0.72, 16.70 ppm): 3 chemical-shift based assignments, quality = 0.338, support = 2.74, residual support = 6.05: T HG LEU 74 - QG2 ILE 48 33.333% * 66.5686% (0.18 10.00 2.74 5.70) = 66.569% kept HB3 LEU 67 - QG2 ILE 48 33.333% * 33.2272% (0.65 1.00 2.75 6.79) = 33.227% kept QB ALA 70 - QG2 ILE 48 33.333% * 0.2042% (0.55 1.00 0.02 0.02) = 0.204% 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 = 5.55, residual support = 110.8: T QD1 ILE 48 - QG2 ILE 48 50.000% * 50.0000% (0.55 1.0 10.00 6.22 110.84) = 50.000% kept O T HG12 ILE 48 - QG2 ILE 48 50.000% * 50.0000% (0.55 10.0 10.00 4.89 110.84) = 50.000% kept Peak 966 (9.09, 4.24, 57.49 ppm): 6 chemical-shift based assignments, quality = 0.18, support = 3.51, residual support = 10.4: O HN GLU- 54 - HA GLU- 54 16.667% * 99.6799% (0.18 10.0 3.52 10.45) = 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 0.02) = 0.034% Peak 967 (7.82, 4.24, 57.54 ppm): 6 chemical-shift based assignments, quality = 0.289, support = 2.8, residual support = 13.0: O HN LYS+ 55 - HA GLU- 54 16.667% * 99.7537% (0.29 10.0 2.81 13.04) = 99.754% kept HN LYS+ 63 - HA GLU- 54 16.667% * 0.1268% (0.37 1.0 0.02 0.02) = 0.127% HN ALA 93 - HA GLU- 54 16.667% * 0.0516% (0.15 1.0 0.02 0.02) = 0.052% HN LYS+ 63 - HA ASP- 82 16.667% * 0.0310% (0.09 1.0 0.02 0.02) = 0.031% HN LYS+ 55 - HA ASP- 82 16.667% * 0.0244% (0.07 1.0 0.02 0.02) = 0.024% HN ALA 93 - HA ASP- 82 16.667% * 0.0126% (0.04 1.0 0.02 0.02) = 0.013% Peak 972 (2.51, 4.29, 57.24 ppm): 20 chemical-shift based assignments, quality = 0.161, support = 1.32, residual support = 2.14: HA1 GLY 58 - HA GLU- 56 5.000% * 60.1790% (0.16 1.91 3.52) = 60.179% kept HA1 GLY 58 - HA ARG+ 84 5.000% * 20.4029% (0.15 0.68 0.10) = 20.403% kept HA1 GLY 58 - HA SER 85 5.000% * 9.8648% (0.27 0.19 0.02) = 9.865% kept HA1 GLY 58 - HA GLU- 75 5.000% * 4.1901% (0.12 0.18 0.02) = 4.190% kept HB2 ASP- 36 - HA SER 85 5.000% * 0.9258% (0.24 0.02 0.02) = 0.926% HB2 ASP- 36 - HA GLU- 56 5.000% * 0.5548% (0.14 0.02 0.02) = 0.555% HB2 ASP- 36 - HA ARG+ 84 5.000% * 0.5265% (0.14 0.02 0.02) = 0.527% HB3 LYS+ 81 - HA SER 85 5.000% * 0.4753% (0.12 0.02 0.02) = 0.475% HB2 ASP- 36 - HA GLU- 75 5.000% * 0.4193% (0.11 0.02 0.02) = 0.419% HB2 ASP- 115 - HA SER 85 5.000% * 0.3569% (0.09 0.02 0.02) = 0.357% HG3 PRO 35 - HA SER 85 5.000% * 0.2883% (0.07 0.02 0.02) = 0.288% HB3 LYS+ 81 - HA GLU- 56 5.000% * 0.2849% (0.07 0.02 0.02) = 0.285% HB3 LYS+ 81 - HA ARG+ 84 5.000% * 0.2703% (0.07 0.02 0.02) = 0.270% HB3 LYS+ 81 - HA GLU- 75 5.000% * 0.2153% (0.06 0.02 0.02) = 0.215% HB2 ASP- 115 - HA GLU- 56 5.000% * 0.2139% (0.06 0.02 0.02) = 0.214% HB2 ASP- 115 - HA ARG+ 84 5.000% * 0.2029% (0.05 0.02 0.02) = 0.203% HG3 PRO 35 - HA GLU- 56 5.000% * 0.1728% (0.04 0.02 0.02) = 0.173% HG3 PRO 35 - HA ARG+ 84 5.000% * 0.1640% (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% * 0.1306% (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 = 0.736, support = 1.41, residual support = 3.29: O HN ASN 57 - HA GLU- 56 6.667% * 87.6566% (0.75 10.0 1.52 3.74) = 87.657% kept HN ASN 57 - HA GLU- 75 6.667% * 5.7273% (0.77 1.0 0.97 0.27) = 5.727% kept HN LYS+ 32 - HA LYS+ 108 6.667% * 2.4871% (0.55 1.0 0.59 0.02) = 2.487% kept HN LYS+ 32 - HA GLU- 75 6.667% * 1.5371% (0.83 1.0 0.24 0.02) = 1.537% kept HN LYS+ 60 - HA GLU- 75 6.667% * 1.4407% (0.85 1.0 0.22 0.02) = 1.441% kept HN LYS+ 60 - HA SER 85 6.667% * 0.1356% (0.88 1.0 0.02 0.02) = 0.136% HN LYS+ 32 - HA SER 85 6.667% * 0.1320% (0.86 1.0 0.02 0.02) = 0.132% HN LYS+ 60 - HA GLU- 56 6.667% * 0.1272% (0.82 1.0 0.02 0.02) = 0.127% HN LYS+ 32 - HA GLU- 56 6.667% * 0.1238% (0.80 1.0 0.02 0.02) = 0.124% HN ASN 57 - HA SER 85 6.667% * 0.1227% (0.79 1.0 0.02 0.02) = 0.123% HN LYS+ 60 - HA ARG+ 84 6.667% * 0.1197% (0.78 1.0 0.02 0.02) = 0.120% HN LYS+ 32 - HA ARG+ 84 6.667% * 0.1165% (0.75 1.0 0.02 0.02) = 0.117% HN ASN 57 - HA ARG+ 84 6.667% * 0.1083% (0.70 1.0 0.02 0.02) = 0.108% HN LYS+ 60 - HA LYS+ 108 6.667% * 0.0870% (0.56 1.0 0.02 0.02) = 0.087% HN ASN 57 - HA LYS+ 108 6.667% * 0.0787% (0.51 1.0 0.02 0.02) = 0.079% Peak 977 (7.51, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.58, support = 1.24, residual support = 1.36: HE3 TRP 51 - QD1 ILE 29 25.000% * 44.7829% (0.60 1.33 1.42) = 44.783% kept HE3 TRP 51 - QG1 VAL 13 25.000% * 44.6082% (0.59 1.36 1.62) = 44.608% kept HN ASP- 82 - QD1 ILE 29 25.000% * 8.5352% (0.45 0.34 0.02) = 8.535% kept HN ASP- 82 - QG1 VAL 13 25.000% * 2.0738% (0.44 0.08 0.02) = 2.074% kept Peak 980 (4.35, 0.83, 15.60 ppm): 28 chemical-shift based assignments, quality = 0.711, support = 0.557, residual support = 0.535: HA ASN 89 - QG1 VAL 13 3.571% * 51.7720% (0.78 0.96 1.02) = 51.772% kept HA ASN 89 - QD1 ILE 29 3.571% * 12.4243% (0.75 0.24 0.02) = 12.424% kept HA1 GLY 26 - QD1 ILE 29 3.571% * 7.9873% (0.87 0.13 0.02) = 7.987% kept HA2 GLY 26 - QD1 ILE 29 3.571% * 5.4079% (0.57 0.14 0.02) = 5.408% kept HA ASN 57 - QD1 ILE 29 3.571% * 2.6096% (0.14 0.26 0.02) = 2.610% kept HA VAL 73 - QG1 VAL 13 3.571% * 1.3142% (0.95 0.02 0.02) = 1.314% kept HA HIS+ 3 - QG1 VAL 13 3.571% * 1.3114% (0.95 0.02 0.02) = 1.311% kept HA VAL 73 - QD1 ILE 29 3.571% * 1.2738% (0.92 0.02 0.02) = 1.274% kept HA HIS+ 3 - QD1 ILE 29 3.571% * 1.2711% (0.92 0.02 0.02) = 1.271% kept HA1 GLY 26 - QG1 VAL 13 3.571% * 1.2350% (0.89 0.02 0.02) = 1.235% kept HB THR 61 - QG1 VAL 13 3.571% * 1.1605% (0.84 0.02 0.02) = 1.161% kept HB THR 61 - QD1 ILE 29 3.571% * 1.1248% (0.81 0.02 0.02) = 1.125% kept HA MET 1 - QG1 VAL 13 3.571% * 1.1175% (0.81 0.02 0.02) = 1.118% kept HA MET 1 - QD1 ILE 29 3.571% * 1.0831% (0.78 0.02 0.02) = 1.083% kept HA VAL 94 - QG1 VAL 13 3.571% * 1.0713% (0.77 0.02 0.02) = 1.071% kept HA VAL 94 - QD1 ILE 29 3.571% * 1.0383% (0.75 0.02 0.02) = 1.038% kept HA LYS+ 117 - QG1 VAL 13 3.571% * 0.9715% (0.70 0.02 0.02) = 0.972% HA LYS+ 117 - QD1 ILE 29 3.571% * 0.9416% (0.68 0.02 0.02) = 0.942% HA ASN 57 - QG1 VAL 13 3.571% * 0.9296% (0.15 0.09 0.02) = 0.930% HA2 GLY 26 - QG1 VAL 13 3.571% * 0.8115% (0.59 0.02 0.02) = 0.811% HB3 HIS+ 4 - QG1 VAL 13 3.571% * 0.6512% (0.47 0.02 0.02) = 0.651% HB3 HIS+ 4 - QD1 ILE 29 3.571% * 0.6312% (0.46 0.02 0.02) = 0.631% HA THR 38 - QG1 VAL 13 3.571% * 0.4129% (0.30 0.02 0.02) = 0.413% HA THR 38 - QD1 ILE 29 3.571% * 0.4002% (0.29 0.02 0.02) = 0.400% HA LYS+ 60 - QG1 VAL 13 3.571% * 0.2979% (0.22 0.02 0.02) = 0.298% HA LYS+ 60 - QD1 ILE 29 3.571% * 0.2887% (0.21 0.02 0.02) = 0.289% HA ALA 37 - QG1 VAL 13 3.571% * 0.2343% (0.17 0.02 0.02) = 0.234% HA ALA 37 - QD1 ILE 29 3.571% * 0.2271% (0.16 0.02 0.02) = 0.227% Peak 984 (3.84, 3.84, 56.96 ppm): 2 diagonal assignments: HA VAL 13 - HA VAL 13 (0.64) kept HA LYS+ 44 - HA LYS+ 44 (0.11) kept Peak 988 (3.28, 0.83, 15.62 ppm): 8 chemical-shift based assignments, quality = 0.796, support = 0.74, residual support = 5.02: HA LEU 23 - QD1 ILE 29 12.500% * 56.2645% (0.91 0.93 8.51) = 56.265% kept HA LEU 23 - QG1 VAL 13 12.500% * 22.3950% (0.92 0.37 0.42) = 22.395% kept HA ASN 89 - QG1 VAL 13 12.500% * 13.1112% (0.20 0.96 1.02) = 13.111% kept HA ASN 89 - QD1 ILE 29 12.500% * 3.2140% (0.20 0.24 0.02) = 3.214% kept HD3 ARG+ 53 - QG1 VAL 13 12.500% * 1.2643% (0.95 0.02 0.02) = 1.264% kept HE3 LYS+ 63 - QG1 VAL 13 12.500% * 1.2559% (0.94 0.02 0.02) = 1.256% kept HD3 ARG+ 53 - QD1 ILE 29 12.500% * 1.2517% (0.94 0.02 0.02) = 1.252% kept HE3 LYS+ 63 - QD1 ILE 29 12.500% * 1.2434% (0.93 0.02 0.02) = 1.243% kept Peak 989 (3.08, 0.83, 15.62 ppm): 8 chemical-shift based assignments, quality = 0.368, support = 0.733, residual support = 1.71: HA1 GLY 58 - QD1 ILE 29 12.500% * 73.7556% (0.32 0.97 2.32) = 73.756% kept HA VAL 47 - QD1 ILE 29 12.500% * 13.0678% (0.49 0.11 0.02) = 13.068% kept HB3 ASP- 25 - QG1 VAL 13 12.500% * 3.0336% (0.64 0.02 0.02) = 3.034% kept HB3 ASP- 25 - QD1 ILE 29 12.500% * 2.9847% (0.63 0.02 0.02) = 2.985% kept HA VAL 47 - QG1 VAL 13 12.500% * 2.3235% (0.49 0.02 0.02) = 2.324% kept HB3 HIS+ 8 - QG1 VAL 13 12.500% * 1.6575% (0.35 0.02 0.02) = 1.658% kept HB3 HIS+ 8 - QD1 ILE 29 12.500% * 1.6308% (0.35 0.02 0.02) = 1.631% kept HA1 GLY 58 - QG1 VAL 13 12.500% * 1.5463% (0.33 0.02 0.02) = 1.546% kept Peak 990 (2.64, 4.21, 57.06 ppm): 30 chemical-shift based assignments, quality = 0.336, support = 1.69, residual support = 22.6: O T HB3 ASP- 82 - HA ASP- 82 3.333% * 84.2113% (0.29 10.0 10.00 1.93 26.82) = 84.211% kept HA1 GLY 58 - HA GLU- 64 3.333% * 2.7609% (0.77 1.0 1.00 0.25 0.02) = 2.761% kept HA1 GLY 58 - HA ASP- 82 3.333% * 2.7170% (0.33 1.0 1.00 0.58 0.02) = 2.717% kept HA1 GLY 58 - HA GLU- 109 3.333% * 2.6254% (0.98 1.0 1.00 0.19 0.02) = 2.625% kept T HB3 ASP- 82 - HA GLU- 109 3.333% * 2.5259% (0.88 1.0 10.00 0.02 0.02) = 2.526% kept T HB3 ASP- 82 - HA GLU- 12 3.333% * 1.6670% (0.58 1.0 10.00 0.02 0.02) = 1.667% kept HA1 GLY 58 - HA LYS+ 44 3.333% * 1.5096% (0.04 1.0 1.00 2.57 3.29) = 1.510% kept HA1 GLY 58 - HA GLU- 12 3.333% * 0.8370% (0.65 1.0 1.00 0.09 0.02) = 0.837% HB3 ASP- 82 - HA GLU- 64 3.333% * 0.1977% (0.69 1.0 1.00 0.02 0.02) = 0.198% HA1 GLY 58 - HA MET 126 3.333% * 0.1211% (0.42 1.0 1.00 0.02 0.02) = 0.121% HB3 ASP- 82 - HA MET 126 3.333% * 0.1086% (0.38 1.0 1.00 0.02 0.02) = 0.109% T HB3 ASP- 82 - HA LYS+ 44 3.333% * 0.1052% (0.04 1.0 10.00 0.02 0.02) = 0.105% HE2 LYS+ 120 - HA GLU- 109 3.333% * 0.0961% (0.34 1.0 1.00 0.02 0.02) = 0.096% HE2 LYS+ 120 - HA GLU- 64 3.333% * 0.0752% (0.26 1.0 1.00 0.02 0.02) = 0.075% HE2 LYS+ 120 - HA GLU- 12 3.333% * 0.0634% (0.22 1.0 1.00 0.02 0.02) = 0.063% HE2 LYS+ 20 - HA GLU- 109 3.333% * 0.0493% (0.17 1.0 1.00 0.02 0.02) = 0.049% HB2 ASP- 25 - HA GLU- 109 3.333% * 0.0435% (0.15 1.0 1.00 0.02 0.02) = 0.043% HE2 LYS+ 120 - HA MET 126 3.333% * 0.0413% (0.14 1.0 1.00 0.02 0.02) = 0.041% HE2 LYS+ 20 - HA GLU- 64 3.333% * 0.0386% (0.13 1.0 1.00 0.02 0.02) = 0.039% HB2 ASP- 25 - HA GLU- 64 3.333% * 0.0340% (0.12 1.0 1.00 0.02 0.02) = 0.034% HE2 LYS+ 20 - HA GLU- 12 3.333% * 0.0326% (0.11 1.0 1.00 0.02 0.02) = 0.033% HE2 LYS+ 120 - HA ASP- 82 3.333% * 0.0320% (0.11 1.0 1.00 0.02 0.02) = 0.032% HB2 ASP- 25 - HA GLU- 12 3.333% * 0.0287% (0.10 1.0 1.00 0.02 0.02) = 0.029% HE2 LYS+ 20 - HA MET 126 3.333% * 0.0212% (0.07 1.0 1.00 0.02 0.02) = 0.021% HB2 ASP- 25 - HA MET 126 3.333% * 0.0187% (0.07 1.0 1.00 0.02 0.02) = 0.019% HE2 LYS+ 20 - HA ASP- 82 3.333% * 0.0164% (0.06 1.0 1.00 0.02 0.02) = 0.016% HB2 ASP- 25 - HA ASP- 82 3.333% * 0.0145% (0.05 1.0 1.00 0.02 0.02) = 0.014% HE2 LYS+ 120 - HA LYS+ 44 3.333% * 0.0040% (0.01 1.0 1.00 0.02 0.02) = 0.004% HE2 LYS+ 20 - HA LYS+ 44 3.333% * 0.0021% (0.01 1.0 1.00 0.02 0.02) = 0.002% HB2 ASP- 25 - HA LYS+ 44 3.333% * 0.0018% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 991 (2.29, 4.27, 56.99 ppm): 20 chemical-shift based assignments, quality = 0.529, support = 1.72, residual support = 1.27: T HG3 GLU- 64 - HA GLU- 56 5.000% * 44.9800% (0.43 10.00 1.32 0.95) = 44.980% kept HB2 PRO 86 - HA SER 85 5.000% * 21.6650% (0.93 1.00 2.97 2.16) = 21.665% kept HB3 PRO 86 - HA SER 85 5.000% * 8.8087% (0.30 1.00 3.71 2.16) = 8.809% kept T HG3 GLU- 64 - HA GLU- 75 5.000% * 7.1077% (0.60 10.00 0.15 0.02) = 7.108% kept HA1 GLY 58 - HA GLU- 56 5.000% * 4.9752% (0.33 1.00 1.91 3.52) = 4.975% kept HB2 PRO 86 - HA ARG+ 84 5.000% * 3.4062% (0.89 1.00 0.49 0.02) = 3.406% kept HA1 GLY 58 - HA ARG+ 84 5.000% * 2.4972% (0.47 1.00 0.68 0.10) = 2.497% kept HA1 GLY 58 - HA LYS+ 108 5.000% * 1.1588% (0.25 1.00 0.59 0.02) = 1.159% kept HB3 PRO 86 - HA GLU- 56 5.000% * 1.1524% (0.21 1.00 0.71 0.02) = 1.152% kept T HG3 GLU- 64 - HA SER 85 5.000% * 0.9963% (0.63 10.00 0.02 0.02) = 0.996% T HG3 GLU- 64 - HA ARG+ 84 5.000% * 0.9605% (0.61 10.00 0.02 0.02) = 0.961% HA1 GLY 58 - HA SER 85 5.000% * 0.7122% (0.48 1.00 0.19 0.02) = 0.712% HA1 GLY 58 - HA GLU- 75 5.000% * 0.6342% (0.46 1.00 0.18 0.02) = 0.634% T HG3 GLU- 64 - HA LYS+ 108 5.000% * 0.5162% (0.33 10.00 0.02 0.02) = 0.516% HB2 PRO 86 - HA GLU- 75 5.000% * 0.1383% (0.88 1.00 0.02 0.02) = 0.138% HB2 PRO 86 - HA GLU- 56 5.000% * 0.1000% (0.64 1.00 0.02 0.02) = 0.100% HB2 PRO 86 - HA LYS+ 108 5.000% * 0.0755% (0.48 1.00 0.02 0.02) = 0.075% HB3 PRO 86 - HA ARG+ 84 5.000% * 0.0458% (0.29 1.00 0.02 0.02) = 0.046% HB3 PRO 86 - HA GLU- 75 5.000% * 0.0451% (0.29 1.00 0.02 0.02) = 0.045% HB3 PRO 86 - HA LYS+ 108 5.000% * 0.0246% (0.16 1.00 0.02 0.02) = 0.025% Peak 992 (2.21, 4.22, 56.98 ppm): 105 chemical-shift based assignments, quality = 0.555, support = 2.58, residual support = 9.88: O HG3 GLU- 109 - HA GLU- 109 0.952% * 57.2594% (0.79 10.0 2.87 15.22) = 57.259% kept O HG3 MET 126 - HA MET 126 0.952% * 20.3011% (0.28 10.0 2.31 2.90) = 20.301% kept O HG2 MET 126 - HA MET 126 0.952% * 14.7416% (0.20 10.0 2.31 2.90) = 14.742% kept HG3 GLU- 109 - HA LYS+ 108 0.952% * 2.6967% (0.28 1.0 2.65 3.41) = 2.697% kept HG3 GLU- 107 - HA LYS+ 108 0.952% * 2.1667% (0.24 1.0 2.50 2.43) = 2.167% kept HA1 GLY 58 - HA LYS+ 108 0.952% * 0.2288% (0.11 1.0 0.59 0.02) = 0.229% HA1 GLY 58 - HA LYS+ 44 0.952% * 0.2137% (0.02 1.0 2.57 3.29) = 0.214% HA1 GLY 58 - HA GLU- 109 0.952% * 0.2033% (0.30 1.0 0.19 0.02) = 0.203% HA1 GLY 58 - HA GLU- 64 0.952% * 0.1678% (0.19 1.0 0.25 0.02) = 0.168% HA1 GLY 58 - HA GLU- 12 0.952% * 0.1062% (0.33 1.0 0.09 0.02) = 0.106% HA1 GLY 58 - HA ASP- 82 0.952% * 0.0936% (0.04 1.0 0.58 0.02) = 0.094% HG3 GLU- 54 - HA GLU- 12 0.952% * 0.0666% (0.92 1.0 0.02 0.02) = 0.067% HG3 MET 126 - HA GLU- 12 0.952% * 0.0653% (0.91 1.0 0.02 0.02) = 0.065% HG3 GLU- 109 - HA GLU- 12 0.952% * 0.0619% (0.86 1.0 0.02 0.02) = 0.062% HG3 GLU- 54 - HA GLU- 109 0.952% * 0.0616% (0.86 1.0 0.02 0.02) = 0.062% HG3 MET 126 - HA GLU- 109 0.952% * 0.0604% (0.84 1.0 0.02 0.02) = 0.060% HB2 LYS+ 113 - HA GLU- 12 0.952% * 0.0599% (0.83 1.0 0.02 0.02) = 0.060% HB2 LYS+ 113 - HA GLU- 109 0.952% * 0.0554% (0.77 1.0 0.02 0.02) = 0.055% HB2 GLU- 50 - HA GLU- 12 0.952% * 0.0553% (0.77 1.0 0.02 0.02) = 0.055% HG3 GLU- 107 - HA GLU- 12 0.952% * 0.0527% (0.73 1.0 0.02 0.02) = 0.053% HB2 GLU- 50 - HA GLU- 109 0.952% * 0.0511% (0.71 1.0 0.02 0.02) = 0.051% HG3 GLU- 18 - HA GLU- 12 0.952% * 0.0501% (0.70 1.0 0.02 0.02) = 0.050% HG3 GLU- 107 - HA GLU- 109 0.952% * 0.0488% (0.68 1.0 0.02 0.02) = 0.049% HG2 MET 126 - HA GLU- 12 0.952% * 0.0474% (0.66 1.0 0.02 0.02) = 0.047% HG3 GLU- 18 - HA GLU- 109 0.952% * 0.0464% (0.64 1.0 0.02 0.02) = 0.046% HG2 MET 126 - HA GLU- 109 0.952% * 0.0439% (0.61 1.0 0.02 0.02) = 0.044% HG3 MET 118 - HA GLU- 12 0.952% * 0.0391% (0.54 1.0 0.02 0.02) = 0.039% HG3 GLU- 54 - HA GLU- 64 0.952% * 0.0378% (0.53 1.0 0.02 0.02) = 0.038% HG3 MET 126 - HA GLU- 64 0.952% * 0.0371% (0.51 1.0 0.02 0.02) = 0.037% HG3 MET 118 - HA GLU- 109 0.952% * 0.0361% (0.50 1.0 0.02 0.02) = 0.036% HG3 GLU- 109 - HA GLU- 64 0.952% * 0.0352% (0.49 1.0 0.02 0.02) = 0.035% HB2 LYS+ 113 - HA GLU- 64 0.952% * 0.0340% (0.47 1.0 0.02 0.02) = 0.034% HB2 GLU- 50 - HA GLU- 64 0.952% * 0.0314% (0.44 1.0 0.02 0.02) = 0.031% HB3 PRO 52 - HA GLU- 12 0.952% * 0.0309% (0.43 1.0 0.02 0.02) = 0.031% HG3 GLU- 107 - HA GLU- 64 0.952% * 0.0300% (0.42 1.0 0.02 0.02) = 0.030% HB3 PRO 52 - HA GLU- 109 0.952% * 0.0286% (0.40 1.0 0.02 0.02) = 0.029% HG3 GLU- 18 - HA GLU- 64 0.952% * 0.0285% (0.40 1.0 0.02 0.02) = 0.028% HG2 MET 126 - HA GLU- 64 0.952% * 0.0269% (0.37 1.0 0.02 0.02) = 0.027% HG3 MET 118 - HA GLU- 64 0.952% * 0.0222% (0.31 1.0 0.02 0.02) = 0.022% HG3 GLU- 54 - HA LYS+ 108 0.952% * 0.0219% (0.30 1.0 0.02 0.02) = 0.022% HG3 MET 126 - HA LYS+ 108 0.952% * 0.0215% (0.30 1.0 0.02 0.02) = 0.021% HG3 GLU- 54 - HA MET 126 0.952% * 0.0207% (0.29 1.0 0.02 0.02) = 0.021% HB2 LYS+ 113 - HA LYS+ 108 0.952% * 0.0197% (0.27 1.0 0.02 0.02) = 0.020% HG3 GLU- 109 - HA MET 126 0.952% * 0.0192% (0.27 1.0 0.02 0.02) = 0.019% HB2 LYS+ 113 - HA MET 126 0.952% * 0.0186% (0.26 1.0 0.02 0.02) = 0.019% HB2 GLU- 50 - HA LYS+ 108 0.952% * 0.0182% (0.25 1.0 0.02 0.02) = 0.018% HB3 PRO 52 - HA GLU- 64 0.952% * 0.0176% (0.24 1.0 0.02 0.02) = 0.018% HG3 GLU- 75 - HA GLU- 12 0.952% * 0.0172% (0.24 1.0 0.02 0.02) = 0.017% HB2 GLU- 50 - HA MET 126 0.952% * 0.0172% (0.24 1.0 0.02 0.02) = 0.017% HG3 GLU- 18 - HA LYS+ 108 0.952% * 0.0165% (0.23 1.0 0.02 0.02) = 0.016% HG3 GLU- 107 - HA MET 126 0.952% * 0.0164% (0.23 1.0 0.02 0.02) = 0.016% HG3 GLU- 75 - HA GLU- 109 0.952% * 0.0159% (0.22 1.0 0.02 0.02) = 0.016% HG2 MET 126 - HA LYS+ 108 0.952% * 0.0156% (0.22 1.0 0.02 0.02) = 0.016% HG3 GLU- 18 - HA MET 126 0.952% * 0.0156% (0.22 1.0 0.02 0.02) = 0.016% HB3 PRO 104 - HA GLU- 12 0.952% * 0.0137% (0.19 1.0 0.02 0.02) = 0.014% HG3 MET 118 - HA LYS+ 108 0.952% * 0.0129% (0.18 1.0 0.02 0.02) = 0.013% HB3 PRO 104 - HA GLU- 109 0.952% * 0.0126% (0.18 1.0 0.02 0.02) = 0.013% HG3 MET 118 - HA MET 126 0.952% * 0.0122% (0.17 1.0 0.02 0.02) = 0.012% HG2 GLN 16 - HA GLU- 12 0.952% * 0.0121% (0.17 1.0 0.02 0.02) = 0.012% HG2 GLN 16 - HA GLU- 109 0.952% * 0.0112% (0.16 1.0 0.02 0.02) = 0.011% HB3 PRO 52 - HA LYS+ 108 0.952% * 0.0102% (0.14 1.0 0.02 0.02) = 0.010% HG3 GLU- 75 - HA GLU- 64 0.952% * 0.0098% (0.14 1.0 0.02 0.02) = 0.010% HB3 GLU- 75 - HA GLU- 12 0.952% * 0.0097% (0.13 1.0 0.02 0.02) = 0.010% HB3 PRO 52 - HA MET 126 0.952% * 0.0096% (0.13 1.0 0.02 0.02) = 0.010% HG3 GLU- 54 - HA ASP- 82 0.952% * 0.0091% (0.13 1.0 0.02 0.02) = 0.009% HG3 MET 126 - HA ASP- 82 0.952% * 0.0090% (0.12 1.0 0.02 0.02) = 0.009% HB3 GLU- 75 - HA GLU- 109 0.952% * 0.0089% (0.12 1.0 0.02 0.02) = 0.009% HG3 GLU- 109 - HA ASP- 82 0.952% * 0.0085% (0.12 1.0 0.02 0.02) = 0.008% HB2 LYS+ 113 - HA ASP- 82 0.952% * 0.0082% (0.11 1.0 0.02 0.02) = 0.008% HB3 PRO 104 - HA GLU- 64 0.952% * 0.0078% (0.11 1.0 0.02 0.02) = 0.008% HB2 GLU- 50 - HA ASP- 82 0.952% * 0.0076% (0.11 1.0 0.02 0.02) = 0.008% HA1 GLY 58 - HA MET 126 0.952% * 0.0073% (0.10 1.0 0.02 0.02) = 0.007% HG3 GLU- 107 - HA ASP- 82 0.952% * 0.0072% (0.10 1.0 0.02 0.02) = 0.007% HG3 GLU- 18 - HA ASP- 82 0.952% * 0.0069% (0.10 1.0 0.02 0.02) = 0.007% HG2 GLN 16 - HA GLU- 64 0.952% * 0.0069% (0.10 1.0 0.02 0.02) = 0.007% HG2 MET 126 - HA ASP- 82 0.952% * 0.0065% (0.09 1.0 0.02 0.02) = 0.007% HG3 GLU- 75 - HA LYS+ 108 0.952% * 0.0057% (0.08 1.0 0.02 0.02) = 0.006% HB3 GLU- 75 - HA GLU- 64 0.952% * 0.0055% (0.08 1.0 0.02 0.02) = 0.005% HG3 MET 118 - HA ASP- 82 0.952% * 0.0054% (0.07 1.0 0.02 0.02) = 0.005% HG3 GLU- 75 - HA MET 126 0.952% * 0.0054% (0.07 1.0 0.02 0.02) = 0.005% HG3 GLU- 54 - HA LYS+ 44 0.952% * 0.0047% (0.07 1.0 0.02 0.02) = 0.005% HG3 MET 126 - HA LYS+ 44 0.952% * 0.0046% (0.06 1.0 0.02 0.02) = 0.005% HB3 PRO 104 - HA LYS+ 108 0.952% * 0.0045% (0.06 1.0 0.02 0.02) = 0.004% HG3 GLU- 109 - HA LYS+ 44 0.952% * 0.0044% (0.06 1.0 0.02 0.02) = 0.004% HB3 PRO 104 - HA MET 126 0.952% * 0.0042% (0.06 1.0 0.02 0.13) = 0.004% HB3 PRO 52 - HA ASP- 82 0.952% * 0.0042% (0.06 1.0 0.02 0.02) = 0.004% HB2 LYS+ 113 - HA LYS+ 44 0.952% * 0.0042% (0.06 1.0 0.02 0.02) = 0.004% HG2 GLN 16 - HA LYS+ 108 0.952% * 0.0040% (0.06 1.0 0.02 0.02) = 0.004% HB2 GLU- 50 - HA LYS+ 44 0.952% * 0.0039% (0.05 1.0 0.02 0.25) = 0.004% HG2 GLN 16 - HA MET 126 0.952% * 0.0038% (0.05 1.0 0.02 0.02) = 0.004% HG3 GLU- 107 - HA LYS+ 44 0.952% * 0.0037% (0.05 1.0 0.02 0.02) = 0.004% HG3 GLU- 18 - HA LYS+ 44 0.952% * 0.0035% (0.05 1.0 0.02 0.02) = 0.004% HG2 MET 126 - HA LYS+ 44 0.952% * 0.0033% (0.05 1.0 0.02 0.02) = 0.003% HB3 GLU- 75 - HA LYS+ 108 0.952% * 0.0032% (0.04 1.0 0.02 0.02) = 0.003% HB3 GLU- 75 - HA MET 126 0.952% * 0.0030% (0.04 1.0 0.02 0.02) = 0.003% HG3 MET 118 - HA LYS+ 44 0.952% * 0.0028% (0.04 1.0 0.02 0.02) = 0.003% HG3 GLU- 75 - HA ASP- 82 0.952% * 0.0024% (0.03 1.0 0.02 0.02) = 0.002% HB3 PRO 52 - HA LYS+ 44 0.952% * 0.0022% (0.03 1.0 0.02 0.02) = 0.002% HB3 PRO 104 - HA ASP- 82 0.952% * 0.0019% (0.03 1.0 0.02 0.02) = 0.002% HG2 GLN 16 - HA ASP- 82 0.952% * 0.0017% (0.02 1.0 0.02 0.02) = 0.002% HB3 GLU- 75 - HA ASP- 82 0.952% * 0.0013% (0.02 1.0 0.02 0.02) = 0.001% HG3 GLU- 75 - HA LYS+ 44 0.952% * 0.0012% (0.02 1.0 0.02 0.02) = 0.001% HB3 PRO 104 - HA LYS+ 44 0.952% * 0.0010% (0.01 1.0 0.02 0.02) = 0.001% HG2 GLN 16 - HA LYS+ 44 0.952% * 0.0009% (0.01 1.0 0.02 0.02) = 0.001% HB3 GLU- 75 - HA LYS+ 44 0.952% * 0.0007% (0.01 1.0 0.02 0.02) = 0.001% Peak 994 (1.91, 0.83, 15.60 ppm): 28 chemical-shift based assignments, quality = 0.707, support = 3.17, residual support = 54.9: O HB ILE 29 - QD1 ILE 29 3.571% * 83.3138% (0.69 10.0 1.00 3.57 65.06) = 83.314% kept HB2 LEU 23 - QD1 ILE 29 3.571% * 8.3176% (0.90 1.0 1.00 1.53 8.51) = 8.318% kept HB2 LEU 23 - QG1 VAL 13 3.571% * 6.0073% (0.92 1.0 1.00 1.08 0.42) = 6.007% kept T HG2 GLU- 18 - QG1 VAL 13 3.571% * 0.3267% (0.27 1.0 10.00 0.02 0.02) = 0.327% T HG2 GLU- 18 - QD1 ILE 29 3.571% * 0.3190% (0.26 1.0 10.00 0.02 0.02) = 0.319% HD3 LYS+ 63 - QG1 VAL 13 3.571% * 0.1165% (0.97 1.0 1.00 0.02 0.02) = 0.116% HD3 LYS+ 63 - QD1 ILE 29 3.571% * 0.1137% (0.94 1.0 1.00 0.02 0.02) = 0.114% HB3 GLU- 56 - QG1 VAL 13 3.571% * 0.1134% (0.94 1.0 1.00 0.02 0.02) = 0.113% HB3 GLU- 56 - QD1 ILE 29 3.571% * 0.1107% (0.92 1.0 1.00 0.02 0.31) = 0.111% HB3 GLN 102 - QG1 VAL 13 3.571% * 0.1054% (0.87 1.0 1.00 0.02 0.02) = 0.105% HB3 GLN 102 - QD1 ILE 29 3.571% * 0.1029% (0.85 1.0 1.00 0.02 0.02) = 0.103% HB3 PRO 35 - QG1 VAL 13 3.571% * 0.1019% (0.85 1.0 1.00 0.02 0.02) = 0.102% HB3 GLU- 54 - QG1 VAL 13 3.571% * 0.1019% (0.85 1.0 1.00 0.02 0.02) = 0.102% HB3 PRO 35 - QD1 ILE 29 3.571% * 0.0995% (0.83 1.0 1.00 0.02 0.02) = 0.100% HB3 GLU- 54 - QD1 ILE 29 3.571% * 0.0995% (0.83 1.0 1.00 0.02 0.02) = 0.100% HB3 MET 118 - QG1 VAL 13 3.571% * 0.0853% (0.71 1.0 1.00 0.02 0.02) = 0.085% HB ILE 29 - QG1 VAL 13 3.571% * 0.0853% (0.71 1.0 1.00 0.02 0.02) = 0.085% HB3 MET 118 - QD1 ILE 29 3.571% * 0.0833% (0.69 1.0 1.00 0.02 0.02) = 0.083% HB3 CYS 123 - QG1 VAL 13 3.571% * 0.0572% (0.47 1.0 1.00 0.02 0.02) = 0.057% HB3 CYS 123 - QD1 ILE 29 3.571% * 0.0558% (0.46 1.0 1.00 0.02 0.02) = 0.056% HB2 PRO 116 - QG1 VAL 13 3.571% * 0.0527% (0.44 1.0 1.00 0.02 0.02) = 0.053% HB2 PRO 116 - QD1 ILE 29 3.571% * 0.0514% (0.43 1.0 1.00 0.02 0.02) = 0.051% HG2 PRO 112 - QG1 VAL 13 3.571% * 0.0441% (0.37 1.0 1.00 0.02 0.02) = 0.044% HG2 PRO 112 - QD1 ILE 29 3.571% * 0.0431% (0.36 1.0 1.00 0.02 0.02) = 0.043% HB3 GLN 16 - QG1 VAL 13 3.571% * 0.0233% (0.19 1.0 1.00 0.02 0.02) = 0.023% HB2 GLU- 75 - QG1 VAL 13 3.571% * 0.0233% (0.19 1.0 1.00 0.02 0.02) = 0.023% HB3 GLN 16 - QD1 ILE 29 3.571% * 0.0227% (0.19 1.0 1.00 0.02 0.61) = 0.023% HB2 GLU- 75 - QD1 ILE 29 3.571% * 0.0227% (0.19 1.0 1.00 0.02 0.02) = 0.023% Peak 995 (1.72, 0.83, 15.58 ppm): 6 chemical-shift based assignments, quality = 0.768, support = 0.995, residual support = 1.4: HB ILE 48 - QD1 ILE 29 16.667% * 28.5524% (0.89 1.02 3.79) = 28.552% kept HB2 GLN 16 - QD1 ILE 29 16.667% * 26.5464% (0.94 0.90 0.61) = 26.546% kept HB3 GLU- 50 - QD1 ILE 29 16.667% * 23.3968% (0.49 1.50 0.65) = 23.397% kept HB3 GLU- 50 - QG1 VAL 13 16.667% * 12.8138% (0.52 0.78 0.02) = 12.814% kept HB ILE 48 - QG1 VAL 13 16.667% * 6.2447% (0.93 0.21 0.02) = 6.245% kept HB2 GLN 16 - QG1 VAL 13 16.667% * 2.4459% (0.99 0.08 0.02) = 2.446% kept Peak 996 (1.56, 0.83, 15.61 ppm): 20 chemical-shift based assignments, quality = 0.771, support = 2.54, residual support = 34.0: O HG13 ILE 29 - QD1 ILE 29 5.000% * 48.4023% (0.79 10.0 1.00 3.49 65.06) = 48.402% kept T HG LEU 17 - QD1 ILE 29 5.000% * 45.3270% (0.84 1.0 10.00 1.74 5.11) = 45.327% kept HB3 LEU 23 - QD1 ILE 29 5.000% * 2.4520% (0.35 1.0 1.00 2.25 8.51) = 2.452% kept QG2 THR 24 - QD1 ILE 29 5.000% * 0.9501% (0.68 1.0 1.00 0.45 0.02) = 0.950% HB3 LEU 23 - QG1 VAL 13 5.000% * 0.9490% (0.36 1.0 1.00 0.86 0.42) = 0.949% QG2 THR 24 - QG1 VAL 13 5.000% * 0.5806% (0.70 1.0 1.00 0.27 0.02) = 0.581% T HG LEU 17 - QG1 VAL 13 5.000% * 0.5302% (0.86 1.0 10.00 0.02 0.02) = 0.530% HB3 LEU 90 - QD1 ILE 29 5.000% * 0.2606% (0.87 1.0 1.00 0.10 0.02) = 0.261% HD3 LYS+ 60 - QG1 VAL 13 5.000% * 0.0559% (0.91 1.0 1.00 0.02 0.02) = 0.056% HD3 LYS+ 60 - QD1 ILE 29 5.000% * 0.0548% (0.89 1.0 1.00 0.02 0.02) = 0.055% HB3 LEU 90 - QG1 VAL 13 5.000% * 0.0546% (0.89 1.0 1.00 0.02 0.02) = 0.055% HB3 LEU 9 - QG1 VAL 13 5.000% * 0.0546% (0.89 1.0 1.00 0.02 0.02) = 0.055% HB3 LEU 9 - QD1 ILE 29 5.000% * 0.0535% (0.87 1.0 1.00 0.02 0.02) = 0.053% HB ILE 19 - QG1 VAL 13 5.000% * 0.0513% (0.83 1.0 1.00 0.02 0.02) = 0.051% HB ILE 19 - QD1 ILE 29 5.000% * 0.0503% (0.82 1.0 1.00 0.02 0.02) = 0.050% HG13 ILE 29 - QG1 VAL 13 5.000% * 0.0494% (0.80 1.0 1.00 0.02 0.02) = 0.049% HG3 LYS+ 60 - QG1 VAL 13 5.000% * 0.0494% (0.80 1.0 1.00 0.02 0.02) = 0.049% HG3 LYS+ 60 - QD1 ILE 29 5.000% * 0.0484% (0.79 1.0 1.00 0.02 0.02) = 0.048% HB3 LYS+ 32 - QG1 VAL 13 5.000% * 0.0132% (0.21 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 32 - QD1 ILE 29 5.000% * 0.0129% (0.21 1.0 1.00 0.02 0.02) = 0.013% Peak 997 (0.92, 4.29, 57.07 ppm): 60 chemical-shift based assignments, quality = 0.181, support = 0.944, residual support = 1.72: HG LEU 74 - HA GLU- 75 1.667% * 34.3812% (0.20 2.22 4.49) = 34.381% kept HG LEU 74 - HA ARG+ 84 1.667% * 11.3653% (0.29 0.51 1.15) = 11.365% kept QG2 VAL 62 - HA GLU- 56 1.667% * 5.6540% (0.09 0.87 0.25) = 5.654% kept HG13 ILE 68 - HA ARG+ 84 1.667% * 4.8212% (0.23 0.28 0.02) = 4.821% kept HG LEU 74 - HA SER 85 1.667% * 4.6535% (0.40 0.15 0.02) = 4.654% kept QG2 VAL 73 - HA GLU- 75 1.667% * 3.4391% (0.32 0.14 0.02) = 3.439% kept HG LEU 74 - HA GLU- 56 1.667% * 3.3757% (0.14 0.31 0.02) = 3.376% kept QD1 LEU 67 - HA ARG+ 84 1.667% * 2.8678% (0.19 0.20 0.22) = 2.868% kept QG2 VAL 87 - HA SER 85 1.667% * 2.8324% (0.29 0.13 0.02) = 2.832% kept HG12 ILE 29 - HA GLU- 56 1.667% * 2.7670% (0.09 0.39 0.31) = 2.767% kept QG1 VAL 47 - HA ARG+ 84 1.667% * 2.6680% (0.16 0.22 0.02) = 2.668% kept QG2 ILE 29 - HA GLU- 56 1.667% * 2.2589% (0.07 0.42 0.31) = 2.259% kept QG2 VAL 87 - HA ARG+ 84 1.667% * 1.2511% (0.21 0.08 0.02) = 1.251% kept HG13 ILE 68 - HA GLU- 75 1.667% * 1.0212% (0.16 0.08 0.02) = 1.021% kept QG2 VAL 105 - HA ARG+ 84 1.667% * 0.9765% (0.15 0.09 0.02) = 0.976% QG2 VAL 99 - HA SER 85 1.667% * 0.9593% (0.63 0.02 0.02) = 0.959% QG2 VAL 73 - HA SER 85 1.667% * 0.9487% (0.63 0.02 0.02) = 0.949% HG3 LYS+ 63 - HA GLU- 56 1.667% * 0.8301% (0.05 0.21 0.02) = 0.830% QD1 LEU 17 - HA SER 85 1.667% * 0.7397% (0.49 0.02 0.02) = 0.740% QG2 VAL 99 - HA ARG+ 84 1.667% * 0.7074% (0.47 0.02 0.02) = 0.707% QG1 VAL 105 - HA SER 85 1.667% * 0.7028% (0.46 0.02 0.02) = 0.703% QG2 VAL 73 - HA ARG+ 84 1.667% * 0.6996% (0.46 0.02 0.02) = 0.700% QD1 LEU 17 - HA ARG+ 84 1.667% * 0.5454% (0.36 0.02 0.13) = 0.545% QG1 VAL 105 - HA ARG+ 84 1.667% * 0.5182% (0.34 0.02 0.02) = 0.518% QG2 VAL 99 - HA GLU- 75 1.667% * 0.4907% (0.32 0.02 0.02) = 0.491% HG13 ILE 68 - HA SER 85 1.667% * 0.4711% (0.31 0.02 0.02) = 0.471% HG12 ILE 29 - HA SER 85 1.667% * 0.3979% (0.26 0.02 0.02) = 0.398% QD1 LEU 67 - HA SER 85 1.667% * 0.3979% (0.26 0.02 0.02) = 0.398% QD1 LEU 17 - HA GLU- 75 1.667% * 0.3783% (0.25 0.02 0.02) = 0.378% QG2 VAL 62 - HA SER 85 1.667% * 0.3633% (0.24 0.02 0.02) = 0.363% QG1 VAL 105 - HA GLU- 75 1.667% * 0.3595% (0.24 0.02 0.02) = 0.359% QG2 VAL 99 - HA GLU- 56 1.667% * 0.3441% (0.23 0.02 0.02) = 0.344% QG2 VAL 73 - HA GLU- 56 1.667% * 0.3403% (0.22 0.02 0.02) = 0.340% QG1 VAL 47 - HA SER 85 1.667% * 0.3302% (0.22 0.02 0.02) = 0.330% HG12 ILE 68 - HA SER 85 1.667% * 0.2987% (0.20 0.02 0.02) = 0.299% QG2 ILE 29 - HA SER 85 1.667% * 0.2987% (0.20 0.02 0.02) = 0.299% QG2 VAL 105 - HA SER 85 1.667% * 0.2987% (0.20 0.02 0.02) = 0.299% HG12 ILE 29 - HA ARG+ 84 1.667% * 0.2934% (0.19 0.02 0.02) = 0.293% QG2 VAL 62 - HA ARG+ 84 1.667% * 0.2679% (0.18 0.02 0.02) = 0.268% QD1 LEU 17 - HA GLU- 56 1.667% * 0.2653% (0.18 0.02 0.02) = 0.265% QG1 VAL 105 - HA GLU- 56 1.667% * 0.2521% (0.17 0.02 0.02) = 0.252% QG2 VAL 87 - HA GLU- 75 1.667% * 0.2220% (0.15 0.02 0.02) = 0.222% HG12 ILE 68 - HA ARG+ 84 1.667% * 0.2203% (0.15 0.02 0.02) = 0.220% QG2 ILE 29 - HA ARG+ 84 1.667% * 0.2203% (0.15 0.02 0.02) = 0.220% HG3 LYS+ 63 - HA SER 85 1.667% * 0.2155% (0.14 0.02 0.02) = 0.215% HG12 ILE 29 - HA GLU- 75 1.667% * 0.2035% (0.13 0.02 0.02) = 0.204% QD1 LEU 67 - HA GLU- 75 1.667% * 0.2035% (0.13 0.02 0.02) = 0.204% QG2 VAL 62 - HA GLU- 75 1.667% * 0.1858% (0.12 0.02 0.02) = 0.186% HG13 ILE 68 - HA GLU- 56 1.667% * 0.1690% (0.11 0.02 0.02) = 0.169% QG1 VAL 47 - HA GLU- 75 1.667% * 0.1689% (0.11 0.02 0.02) = 0.169% HG3 LYS+ 63 - HA ARG+ 84 1.667% * 0.1589% (0.10 0.02 0.02) = 0.159% QG2 VAL 87 - HA GLU- 56 1.667% * 0.1557% (0.10 0.02 0.02) = 0.156% QG2 ILE 29 - HA GLU- 75 1.667% * 0.1528% (0.10 0.02 0.02) = 0.153% HG12 ILE 68 - HA GLU- 75 1.667% * 0.1528% (0.10 0.02 0.02) = 0.153% QG2 VAL 105 - HA GLU- 75 1.667% * 0.1528% (0.10 0.02 0.02) = 0.153% QD1 LEU 67 - HA GLU- 56 1.667% * 0.1427% (0.09 0.02 0.02) = 0.143% QG1 VAL 47 - HA GLU- 56 1.667% * 0.1184% (0.08 0.02 0.02) = 0.118% HG3 LYS+ 63 - HA GLU- 75 1.667% * 0.1102% (0.07 0.02 0.02) = 0.110% HG12 ILE 68 - HA GLU- 56 1.667% * 0.1072% (0.07 0.02 0.02) = 0.107% QG2 VAL 105 - HA GLU- 56 1.667% * 0.1072% (0.07 0.02 0.02) = 0.107% Not enough quality. Peak unassigned. Peak 999 (0.83, 0.83, 15.61 ppm): 2 diagonal assignments: QG1 VAL 13 - QG1 VAL 13 (0.94) kept QD1 ILE 29 - QD1 ILE 29 (0.89) kept Peak 1002 (0.29, 0.83, 15.60 ppm): 2 chemical-shift based assignments, quality = 0.945, support = 1.68, residual support = 5.73: QD2 LEU 23 - QD1 ILE 29 50.000% * 65.7005% (0.94 2.02 8.51) = 65.700% kept QD2 LEU 23 - QG1 VAL 13 50.000% * 34.2995% (0.95 1.04 0.42) = 34.300% kept Peak 1004 (8.65, 4.28, 56.71 ppm): 5 chemical-shift based assignments, quality = 0.171, support = 2.75, residual support = 7.37: O HN SER 85 - HA ARG+ 84 20.000% * 57.7380% (0.19 10.0 2.83 7.80) = 57.738% kept O HN SER 85 - HA SER 85 20.000% * 42.2056% (0.14 10.0 2.63 6.79) = 42.206% kept HN SER 85 - HA GLU- 75 20.000% * 0.0366% (0.12 1.0 0.02 0.02) = 0.037% HN SER 85 - HA HIS+ 4 20.000% * 0.0111% (0.04 1.0 0.02 0.02) = 0.011% HN SER 85 - HA LYS+ 108 20.000% * 0.0087% (0.03 1.0 0.02 0.02) = 0.009% Peak 1005 (8.34, 4.26, 56.70 ppm): 49 chemical-shift based assignments, quality = 0.157, support = 2.54, residual support = 7.7: O HN GLU- 109 - HA LYS+ 108 2.041% * 47.1248% (0.19 10.0 2.28 3.41) = 47.125% kept O HN LYS+ 108 - HA LYS+ 108 2.041% * 28.5826% (0.11 10.0 4.18 21.13) = 28.583% kept O HN ASN 76 - HA GLU- 75 2.041% * 22.6685% (0.15 10.0 1.20 0.22) = 22.669% kept HN GLU- 50 - HA ARG+ 84 2.041% * 0.0976% (0.39 1.0 0.02 0.02) = 0.098% HN GLU- 50 - HA GLU- 75 2.041% * 0.0931% (0.37 1.0 0.02 0.02) = 0.093% HN GLU- 109 - HA ARG+ 84 2.041% * 0.0917% (0.37 1.0 0.02 0.02) = 0.092% HN GLU- 109 - HA GLU- 75 2.041% * 0.0875% (0.35 1.0 0.02 0.02) = 0.087% HN GLU- 50 - HA HIS+ 4 2.041% * 0.0624% (0.25 1.0 0.02 0.11) = 0.062% HN GLU- 50 - HA SER 85 2.041% * 0.0599% (0.24 1.0 0.02 0.02) = 0.060% HN GLU- 109 - HA HIS+ 4 2.041% * 0.0587% (0.24 1.0 0.02 0.02) = 0.059% HN GLU- 109 - HA SER 85 2.041% * 0.0563% (0.23 1.0 0.02 0.02) = 0.056% HN LYS+ 108 - HA ARG+ 84 2.041% * 0.0556% (0.22 1.0 0.02 0.02) = 0.056% HN LYS+ 108 - HA GLU- 75 2.041% * 0.0530% (0.21 1.0 0.02 0.02) = 0.053% HN GLU- 50 - HA GLU- 18 2.041% * 0.0518% (0.21 1.0 0.02 0.10) = 0.052% HN GLY 114 - HA ARG+ 84 2.041% * 0.0514% (0.21 1.0 0.02 0.02) = 0.051% HN GLU- 50 - HA LYS+ 108 2.041% * 0.0502% (0.20 1.0 0.02 0.02) = 0.050% HN GLY 114 - HA GLU- 75 2.041% * 0.0491% (0.20 1.0 0.02 0.02) = 0.049% HN GLU- 109 - HA GLU- 18 2.041% * 0.0486% (0.20 1.0 0.02 0.02) = 0.049% HN ASN 76 - HA ARG+ 84 2.041% * 0.0397% (0.16 1.0 0.02 0.02) = 0.040% HN LYS+ 108 - HA HIS+ 4 2.041% * 0.0356% (0.14 1.0 0.02 0.02) = 0.036% HN LYS+ 108 - HA SER 85 2.041% * 0.0342% (0.14 1.0 0.02 0.02) = 0.034% HN GLY 114 - HA HIS+ 4 2.041% * 0.0329% (0.13 1.0 0.02 0.02) = 0.033% HN GLY 114 - HA SER 85 2.041% * 0.0316% (0.13 1.0 0.02 0.02) = 0.032% HN LYS+ 108 - HA GLU- 18 2.041% * 0.0295% (0.12 1.0 0.02 0.02) = 0.030% HN ALA 103 - HA ARG+ 84 2.041% * 0.0294% (0.12 1.0 0.02 0.02) = 0.029% HN ALA 103 - HA GLU- 75 2.041% * 0.0280% (0.11 1.0 0.02 0.02) = 0.028% HN GLY 114 - HA GLU- 18 2.041% * 0.0273% (0.11 1.0 0.02 0.02) = 0.027% HN GLY 114 - HA LYS+ 108 2.041% * 0.0264% (0.11 1.0 0.02 0.12) = 0.026% HN GLY 71 - HA ARG+ 84 2.041% * 0.0264% (0.11 1.0 0.02 0.02) = 0.026% HN ASN 76 - HA HIS+ 4 2.041% * 0.0254% (0.10 1.0 0.02 0.02) = 0.025% HN GLY 71 - HA GLU- 75 2.041% * 0.0251% (0.10 1.0 0.02 0.02) = 0.025% HN ASN 76 - HA SER 85 2.041% * 0.0244% (0.10 1.0 0.02 0.02) = 0.024% HN ASN 76 - HA GLU- 18 2.041% * 0.0210% (0.08 1.0 0.02 0.02) = 0.021% HN ASN 76 - HA LYS+ 108 2.041% * 0.0204% (0.08 1.0 0.02 0.02) = 0.020% HN ALA 103 - HA HIS+ 4 2.041% * 0.0188% (0.08 1.0 0.02 0.02) = 0.019% HN ALA 103 - HA SER 85 2.041% * 0.0181% (0.07 1.0 0.02 0.02) = 0.018% HN GLU- 50 - HA GLU- 12 2.041% * 0.0179% (0.07 1.0 0.02 0.02) = 0.018% HN GLY 71 - HA HIS+ 4 2.041% * 0.0169% (0.07 1.0 0.02 0.02) = 0.017% HN GLU- 109 - HA GLU- 12 2.041% * 0.0168% (0.07 1.0 0.02 0.02) = 0.017% HN GLY 71 - HA SER 85 2.041% * 0.0162% (0.07 1.0 0.02 0.02) = 0.016% HN ALA 103 - HA GLU- 18 2.041% * 0.0156% (0.06 1.0 0.02 0.49) = 0.016% HN ALA 103 - HA LYS+ 108 2.041% * 0.0151% (0.06 1.0 0.02 0.02) = 0.015% HN GLY 71 - HA GLU- 18 2.041% * 0.0140% (0.06 1.0 0.02 0.02) = 0.014% HN GLY 71 - HA LYS+ 108 2.041% * 0.0135% (0.05 1.0 0.02 0.02) = 0.014% HN LYS+ 108 - HA GLU- 12 2.041% * 0.0102% (0.04 1.0 0.02 0.02) = 0.010% HN GLY 114 - HA GLU- 12 2.041% * 0.0094% (0.04 1.0 0.02 0.02) = 0.009% HN ASN 76 - HA GLU- 12 2.041% * 0.0073% (0.03 1.0 0.02 0.02) = 0.007% HN ALA 103 - HA GLU- 12 2.041% * 0.0054% (0.02 1.0 0.02 0.02) = 0.005% HN GLY 71 - HA GLU- 12 2.041% * 0.0048% (0.02 1.0 0.02 0.02) = 0.005% Peak 1006 (8.36, 4.21, 56.81 ppm): 35 chemical-shift based assignments, quality = 0.351, support = 2.57, residual support = 13.4: O HN GLU- 109 - HA GLU- 109 2.857% * 58.7099% (0.47 10.0 2.28 15.22) = 58.710% kept O HN LYS+ 108 - HA LYS+ 108 2.857% * 17.3379% (0.14 10.0 4.18 21.13) = 17.338% kept O HN GLU- 109 - HA LYS+ 108 2.857% * 16.3282% (0.13 10.0 2.28 3.41) = 16.328% kept HN LYS+ 108 - HA GLU- 109 2.857% * 6.4604% (0.50 1.0 2.07 3.41) = 6.460% kept HN LYS+ 108 - HA GLU- 12 2.857% * 0.1009% (0.80 1.0 0.02 0.02) = 0.101% HN GLU- 109 - HA GLU- 12 2.857% * 0.0950% (0.76 1.0 0.02 0.02) = 0.095% HN ALA 103 - HA GLU- 12 2.857% * 0.0824% (0.66 1.0 0.02 0.02) = 0.082% HN GLY 71 - HA GLU- 12 2.857% * 0.0787% (0.63 1.0 0.02 0.02) = 0.079% HN LYS+ 108 - HA GLU- 64 2.857% * 0.0581% (0.46 1.0 0.02 0.02) = 0.058% HN GLU- 109 - HA GLU- 64 2.857% * 0.0547% (0.44 1.0 0.02 0.02) = 0.055% HN ALA 103 - HA GLU- 109 2.857% * 0.0509% (0.41 1.0 0.02 0.02) = 0.051% HN LYS+ 108 - HA MET 126 2.857% * 0.0507% (0.40 1.0 0.02 0.02) = 0.051% HN GLY 71 - HA GLU- 109 2.857% * 0.0486% (0.39 1.0 0.02 0.02) = 0.049% HN GLU- 109 - HA MET 126 2.857% * 0.0478% (0.38 1.0 0.02 0.02) = 0.048% HN ALA 103 - HA GLU- 64 2.857% * 0.0475% (0.38 1.0 0.02 0.02) = 0.047% HN GLY 71 - HA GLU- 64 2.857% * 0.0453% (0.36 1.0 0.02 0.02) = 0.045% HN GLU- 50 - HA GLU- 12 2.857% * 0.0423% (0.34 1.0 0.02 0.02) = 0.042% HN ALA 103 - HA MET 126 2.857% * 0.0414% (0.33 1.0 0.02 0.02) = 0.041% HN GLY 71 - HA MET 126 2.857% * 0.0396% (0.31 1.0 0.02 0.02) = 0.040% HN GLU- 50 - HA GLU- 109 2.857% * 0.0261% (0.21 1.0 0.02 0.02) = 0.026% HN GLU- 50 - HA GLU- 64 2.857% * 0.0244% (0.19 1.0 0.02 0.02) = 0.024% HN LYS+ 108 - HA GLU- 18 2.857% * 0.0226% (0.18 1.0 0.02 0.02) = 0.023% HN GLU- 50 - HA MET 126 2.857% * 0.0213% (0.17 1.0 0.02 0.02) = 0.021% HN GLU- 109 - HA GLU- 18 2.857% * 0.0212% (0.17 1.0 0.02 0.02) = 0.021% HN LYS+ 108 - HA LYS+ 44 2.857% * 0.0211% (0.17 1.0 0.02 0.02) = 0.021% HN GLU- 109 - HA LYS+ 44 2.857% * 0.0199% (0.16 1.0 0.02 0.02) = 0.020% HN ALA 103 - HA GLU- 18 2.857% * 0.0184% (0.15 1.0 0.02 0.49) = 0.018% HN GLY 71 - HA GLU- 18 2.857% * 0.0176% (0.14 1.0 0.02 0.02) = 0.018% HN ALA 103 - HA LYS+ 44 2.857% * 0.0173% (0.14 1.0 0.02 0.02) = 0.017% HN GLY 71 - HA LYS+ 44 2.857% * 0.0165% (0.13 1.0 0.02 0.14) = 0.016% HN ALA 103 - HA LYS+ 108 2.857% * 0.0142% (0.11 1.0 0.02 0.02) = 0.014% HN GLY 71 - HA LYS+ 108 2.857% * 0.0135% (0.11 1.0 0.02 0.02) = 0.014% HN GLU- 50 - HA GLU- 18 2.857% * 0.0095% (0.08 1.0 0.02 0.10) = 0.009% HN GLU- 50 - HA LYS+ 44 2.857% * 0.0089% (0.07 1.0 0.02 0.25) = 0.009% HN GLU- 50 - HA LYS+ 108 2.857% * 0.0073% (0.06 1.0 0.02 0.02) = 0.007% Peak 1007 (8.07, 4.22, 56.74 ppm): 45 chemical-shift based assignments, quality = 0.24, support = 2.33, residual support = 6.56: O HN LYS+ 110 - HA GLU- 109 2.222% * 85.7642% (0.25 10.0 2.61 7.64) = 85.764% kept O HN HIS+ 5 - HA HIS+ 4 2.222% * 8.4189% (0.05 10.0 1.00 0.10) = 8.419% kept HN HIS+ 5 - HA GLU- 12 2.222% * 2.1779% (0.66 1.0 0.19 0.02) = 2.178% kept HN LYS+ 110 - HA GLU- 12 2.222% * 1.4237% (0.53 1.0 0.16 0.02) = 1.424% kept HN CYS 121 - HA GLU- 12 2.222% * 0.1835% (0.53 1.0 0.02 0.02) = 0.184% HN ASN 15 - HA GLU- 12 2.222% * 0.1574% (0.46 1.0 0.02 0.02) = 0.157% HN HIS+ 5 - HA GLU- 18 2.222% * 0.1163% (0.34 1.0 0.02 0.02) = 0.116% HN HIS+ 5 - HA GLU- 109 2.222% * 0.1062% (0.31 1.0 0.02 0.02) = 0.106% HN HIS+ 5 - HA GLU- 64 2.222% * 0.0967% (0.28 1.0 0.02 0.02) = 0.097% HN CYS 121 - HA GLU- 18 2.222% * 0.0940% (0.27 1.0 0.02 0.02) = 0.094% HN LYS+ 110 - HA GLU- 18 2.222% * 0.0940% (0.27 1.0 0.02 0.02) = 0.094% HN HIS+ 5 - HA MET 126 2.222% * 0.0919% (0.27 1.0 0.02 0.02) = 0.092% HN CYS 121 - HA GLU- 109 2.222% * 0.0858% (0.25 1.0 0.02 0.02) = 0.086% HN ASN 15 - HA GLU- 18 2.222% * 0.0806% (0.23 1.0 0.02 0.02) = 0.081% HN LYS+ 110 - HA GLU- 64 2.222% * 0.0781% (0.23 1.0 0.02 0.02) = 0.078% HN CYS 121 - HA GLU- 64 2.222% * 0.0781% (0.23 1.0 0.02 0.02) = 0.078% HN LYS+ 110 - HA MET 126 2.222% * 0.0743% (0.22 1.0 0.02 0.02) = 0.074% HN CYS 121 - HA MET 126 2.222% * 0.0743% (0.22 1.0 0.02 0.02) = 0.074% HN ASN 15 - HA GLU- 109 2.222% * 0.0736% (0.21 1.0 0.02 0.02) = 0.074% HN ASN 15 - HA GLU- 64 2.222% * 0.0670% (0.19 1.0 0.02 0.02) = 0.067% HN HIS+ 5 - HA LYS+ 44 2.222% * 0.0640% (0.19 1.0 0.02 0.02) = 0.064% HN ASN 15 - HA MET 126 2.222% * 0.0637% (0.19 1.0 0.02 0.02) = 0.064% HN CYS 121 - HA LYS+ 44 2.222% * 0.0517% (0.15 1.0 0.02 0.02) = 0.052% HN LYS+ 110 - HA LYS+ 44 2.222% * 0.0517% (0.15 1.0 0.02 0.02) = 0.052% HN VAL 122 - HA GLU- 12 2.222% * 0.0510% (0.15 1.0 0.02 0.02) = 0.051% HN ASN 15 - HA LYS+ 44 2.222% * 0.0443% (0.13 1.0 0.02 0.02) = 0.044% HN HIS+ 5 - HA LYS+ 108 2.222% * 0.0438% (0.13 1.0 0.02 0.02) = 0.044% HN CYS 121 - HA LYS+ 108 2.222% * 0.0354% (0.10 1.0 0.02 0.02) = 0.035% HN LYS+ 110 - HA LYS+ 108 2.222% * 0.0354% (0.10 1.0 0.02 0.02) = 0.035% HN ASN 15 - HA LYS+ 108 2.222% * 0.0304% (0.09 1.0 0.02 0.02) = 0.030% HN VAL 122 - HA GLU- 18 2.222% * 0.0261% (0.08 1.0 0.02 0.02) = 0.026% HN VAL 122 - HA GLU- 109 2.222% * 0.0238% (0.07 1.0 0.02 0.02) = 0.024% HN VAL 122 - HA GLU- 64 2.222% * 0.0217% (0.06 1.0 0.02 0.02) = 0.022% HN VAL 122 - HA MET 126 2.222% * 0.0206% (0.06 1.0 0.02 0.02) = 0.021% HN VAL 122 - HA LYS+ 44 2.222% * 0.0144% (0.04 1.0 0.02 0.02) = 0.014% HN LYS+ 110 - HA HIS+ 4 2.222% * 0.0136% (0.04 1.0 0.02 0.02) = 0.014% HN CYS 121 - HA HIS+ 4 2.222% * 0.0136% (0.04 1.0 0.02 0.02) = 0.014% HN ASN 15 - HA HIS+ 4 2.222% * 0.0117% (0.03 1.0 0.02 0.02) = 0.012% HN VAL 122 - HA LYS+ 108 2.222% * 0.0098% (0.03 1.0 0.02 0.02) = 0.010% HN HIS+ 5 - HA GLU- 56 2.222% * 0.0094% (0.03 1.0 0.02 0.02) = 0.009% HN CYS 121 - HA GLU- 56 2.222% * 0.0076% (0.02 1.0 0.02 0.02) = 0.008% HN LYS+ 110 - HA GLU- 56 2.222% * 0.0076% (0.02 1.0 0.02 0.02) = 0.008% HN ASN 15 - HA GLU- 56 2.222% * 0.0065% (0.02 1.0 0.02 0.02) = 0.006% HN VAL 122 - HA HIS+ 4 2.222% * 0.0038% (0.01 1.0 0.02 0.02) = 0.004% HN VAL 122 - HA GLU- 56 2.222% * 0.0021% (0.01 1.0 0.02 0.02) = 0.002% Peak 1009 (7.35, 4.28, 56.67 ppm): 25 chemical-shift based assignments, quality = 0.151, support = 0.164, residual support = 0.0264: QE PHE 34 - HA ARG+ 84 4.000% * 38.3175% (0.18 0.33 0.02) = 38.318% kept HZ PHE 34 - HA GLU- 75 4.000% * 8.6137% (0.10 0.12 0.02) = 8.614% kept QE PHE 34 - HA SER 85 4.000% * 8.5012% (0.12 0.10 0.02) = 8.501% kept QE PHE 34 - HA GLU- 75 4.000% * 8.0329% (0.10 0.12 0.02) = 8.033% kept HE22 GLN 102 - HA GLU- 75 4.000% * 7.9597% (0.16 0.08 0.11) = 7.960% kept HE22 GLN 102 - HA ARG+ 84 4.000% * 3.6113% (0.27 0.02 0.02) = 3.611% kept HE ARG+ 53 - HA ARG+ 84 4.000% * 3.1887% (0.24 0.02 0.02) = 3.189% kept HE22 GLN 102 - HA SER 85 4.000% * 2.5336% (0.19 0.02 0.02) = 2.534% kept HZ2 TRP 51 - HA ARG+ 84 4.000% * 2.3570% (0.18 0.02 0.02) = 2.357% kept HZ PHE 34 - HA ARG+ 84 4.000% * 2.3570% (0.18 0.02 0.02) = 2.357% kept HE ARG+ 53 - HA SER 85 4.000% * 2.2372% (0.17 0.02 0.02) = 2.237% kept HE ARG+ 53 - HA GLU- 75 4.000% * 1.8730% (0.14 0.02 0.02) = 1.873% kept HZ2 TRP 51 - HA SER 85 4.000% * 1.6536% (0.12 0.02 0.02) = 1.654% kept HZ PHE 34 - HA SER 85 4.000% * 1.6536% (0.12 0.02 0.02) = 1.654% kept HZ2 TRP 51 - HA GLU- 75 4.000% * 1.3845% (0.10 0.02 0.02) = 1.384% kept HE22 GLN 102 - HA HIS+ 4 4.000% * 1.0552% (0.08 0.02 0.02) = 1.055% kept HE ARG+ 53 - HA HIS+ 4 4.000% * 0.9317% (0.07 0.02 0.26) = 0.932% HZ PHE 34 - HA HIS+ 4 4.000% * 0.6887% (0.05 0.02 0.02) = 0.689% QE PHE 34 - HA HIS+ 4 4.000% * 0.6887% (0.05 0.02 0.02) = 0.689% HZ2 TRP 51 - HA HIS+ 4 4.000% * 0.6887% (0.05 0.02 7.08) = 0.689% HE22 GLN 102 - HA LYS+ 108 4.000% * 0.4354% (0.03 0.02 0.02) = 0.435% HE ARG+ 53 - HA LYS+ 108 4.000% * 0.3844% (0.03 0.02 0.02) = 0.384% QE PHE 34 - HA LYS+ 108 4.000% * 0.2842% (0.02 0.02 0.02) = 0.284% HZ2 TRP 51 - HA LYS+ 108 4.000% * 0.2842% (0.02 0.02 0.02) = 0.284% HZ PHE 34 - HA LYS+ 108 4.000% * 0.2842% (0.02 0.02 0.02) = 0.284% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 1012 (4.80, 4.28, 56.88 ppm): 35 chemical-shift based assignments, quality = 0.192, support = 1.53, residual support = 2.46: HA ASN 89 - HA ARG+ 84 2.857% * 29.9059% (0.22 2.36 5.46) = 29.906% kept HA GLU- 107 - HA LYS+ 108 2.857% * 19.8429% (0.14 2.49 2.43) = 19.843% kept HA ASN 89 - HA SER 85 2.857% * 16.4142% (0.20 1.37 2.04) = 16.414% kept HA ASN 89 - HA GLU- 75 2.857% * 6.7363% (0.16 0.72 0.02) = 6.736% kept HA MET 97 - HA ARG+ 84 2.857% * 4.5220% (0.25 0.31 0.02) = 4.522% kept HA MET 97 - HA SER 85 2.857% * 4.2538% (0.24 0.31 0.02) = 4.254% kept HA PRO 116 - HA LYS+ 108 2.857% * 3.6777% (0.11 0.57 0.21) = 3.678% kept HA GLU- 107 - HA ARG+ 84 2.857% * 2.7129% (0.58 0.08 0.02) = 2.713% kept HA GLU- 107 - HA SER 85 2.857% * 2.6312% (0.55 0.08 0.02) = 2.631% kept HA ASN 89 - HA LYS+ 108 2.857% * 0.9682% (0.05 0.33 0.02) = 0.968% HA LYS+ 113 - HA ARG+ 84 2.857% * 0.8042% (0.69 0.02 0.02) = 0.804% HA LYS+ 113 - HA SER 85 2.857% * 0.7565% (0.65 0.02 0.02) = 0.756% HA LYS+ 113 - HA GLU- 75 2.857% * 0.5965% (0.51 0.02 0.02) = 0.596% HA PRO 116 - HA ARG+ 84 2.857% * 0.5536% (0.47 0.02 0.02) = 0.554% HA PRO 116 - HA SER 85 2.857% * 0.5208% (0.45 0.02 0.02) = 0.521% HA ASN 15 - HA ARG+ 84 2.857% * 0.5122% (0.44 0.02 0.02) = 0.512% HA GLU- 107 - HA GLU- 75 2.857% * 0.5049% (0.43 0.02 0.02) = 0.505% HA ASN 15 - HA SER 85 2.857% * 0.4818% (0.41 0.02 0.02) = 0.482% HA PRO 116 - HA GLU- 75 2.857% * 0.4106% (0.35 0.02 0.02) = 0.411% HA ASP- 115 - HA ARG+ 84 2.857% * 0.3949% (0.34 0.02 0.02) = 0.395% HA ASN 15 - HA GLU- 75 2.857% * 0.3799% (0.32 0.02 0.02) = 0.380% HA ASP- 115 - HA SER 85 2.857% * 0.3715% (0.32 0.02 0.02) = 0.371% HA ASP- 115 - HA GLU- 75 2.857% * 0.2929% (0.25 0.02 0.02) = 0.293% HA LYS+ 113 - HA GLU- 56 2.857% * 0.2461% (0.21 0.02 0.02) = 0.246% HA MET 97 - HA GLU- 75 2.857% * 0.2170% (0.19 0.02 0.02) = 0.217% HA GLU- 107 - HA GLU- 56 2.857% * 0.2083% (0.18 0.02 0.02) = 0.208% HA LYS+ 113 - HA LYS+ 108 2.857% * 0.1882% (0.16 0.02 0.02) = 0.188% HA PRO 116 - HA GLU- 56 2.857% * 0.1694% (0.14 0.02 0.02) = 0.169% HA ASN 15 - HA GLU- 56 2.857% * 0.1567% (0.13 0.02 0.02) = 0.157% HA ASP- 115 - HA GLU- 56 2.857% * 0.1208% (0.10 0.02 0.02) = 0.121% HA ASN 15 - HA LYS+ 108 2.857% * 0.1199% (0.10 0.02 0.02) = 0.120% HA ASP- 115 - HA LYS+ 108 2.857% * 0.0924% (0.08 0.02 0.02) = 0.092% HA MET 97 - HA GLU- 56 2.857% * 0.0895% (0.08 0.02 0.02) = 0.090% HA ASN 89 - HA GLU- 56 2.857% * 0.0777% (0.07 0.02 0.02) = 0.078% HA MET 97 - HA LYS+ 108 2.857% * 0.0685% (0.06 0.02 0.02) = 0.068% Not enough quality. Peak unassigned. Peak 1014 (4.44, 4.25, 56.86 ppm): 104 chemical-shift based assignments, quality = 0.253, support = 1.17, residual support = 1.74: O HA PRO 86 - HA SER 85 0.962% * 20.5563% (0.06 10.0 1.00 1.49 2.16) = 20.556% kept HA ASN 89 - HA ARG+ 84 0.962% * 17.7865% (0.30 1.0 1.00 2.36 5.46) = 17.786% kept HA VAL 73 - HA LYS+ 108 0.962% * 13.7584% (0.56 1.0 1.00 0.97 0.50) = 13.758% kept HA ASN 89 - HA GLU- 75 0.962% * 7.6448% (0.43 1.0 1.00 0.72 0.02) = 7.645% kept T HA VAL 73 - HA GLU- 109 0.962% * 7.5763% (0.10 1.0 10.00 0.31 0.02) = 7.576% kept HA ASN 89 - HA SER 85 0.962% * 7.4551% (0.22 1.0 1.00 1.37 2.04) = 7.455% kept HA VAL 73 - HA GLU- 75 0.962% * 4.5066% (0.49 1.0 1.00 0.37 0.02) = 4.507% kept HA ASN 89 - HA GLU- 18 0.962% * 4.1497% (0.08 1.0 1.00 1.98 2.30) = 4.150% kept HA ASN 89 - HA LYS+ 108 0.962% * 4.0112% (0.49 1.0 1.00 0.33 0.02) = 4.011% kept HA ASN 89 - HA GLU- 12 0.962% * 3.5704% (0.26 1.0 1.00 0.54 0.02) = 3.570% kept HB THR 24 - HA LYS+ 108 0.962% * 0.3503% (0.70 1.0 1.00 0.02 0.02) = 0.350% HA LYS+ 111 - HA LYS+ 108 0.962% * 0.3449% (0.69 1.0 1.00 0.02 0.02) = 0.345% HB THR 24 - HA GLU- 75 0.962% * 0.3041% (0.61 1.0 1.00 0.02 0.02) = 0.304% HA LYS+ 111 - HA GLU- 75 0.962% * 0.2994% (0.60 1.0 1.00 0.02 0.02) = 0.299% HB THR 24 - HA ARG+ 84 0.962% * 0.2149% (0.43 1.0 1.00 0.02 0.02) = 0.215% HA LYS+ 111 - HA ARG+ 84 0.962% * 0.2116% (0.42 1.0 1.00 0.02 0.02) = 0.212% HA CYS 121 - HA LYS+ 108 0.962% * 0.2023% (0.40 1.0 1.00 0.02 0.02) = 0.202% HA VAL 99 - HA LYS+ 108 0.962% * 0.2023% (0.40 1.0 1.00 0.02 0.02) = 0.202% HB THR 24 - HA GLU- 56 0.962% * 0.1944% (0.39 1.0 1.00 0.02 0.02) = 0.194% HA LYS+ 111 - HA GLU- 56 0.962% * 0.1914% (0.38 1.0 1.00 0.02 0.02) = 0.191% HB THR 24 - HA GLU- 12 0.962% * 0.1884% (0.38 1.0 1.00 0.02 0.02) = 0.188% HA LYS+ 66 - HA LYS+ 108 0.962% * 0.1880% (0.38 1.0 1.00 0.02 0.02) = 0.188% HA LYS+ 111 - HA GLU- 12 0.962% * 0.1855% (0.37 1.0 1.00 0.02 0.02) = 0.185% HA VAL 99 - HA GLU- 75 0.962% * 0.1757% (0.35 1.0 1.00 0.02 0.02) = 0.176% HA CYS 121 - HA GLU- 75 0.962% * 0.1757% (0.35 1.0 1.00 0.02 0.02) = 0.176% HA VAL 73 - HA ARG+ 84 0.962% * 0.1732% (0.35 1.0 1.00 0.02 0.02) = 0.173% HA LYS+ 66 - HA GLU- 75 0.962% * 0.1632% (0.33 1.0 1.00 0.02 0.02) = 0.163% HA VAL 73 - HA GLU- 56 0.962% * 0.1567% (0.31 1.0 1.00 0.02 0.02) = 0.157% HB THR 24 - HA SER 85 0.962% * 0.1544% (0.31 1.0 1.00 0.02 0.02) = 0.154% HA LYS+ 111 - HA SER 85 0.962% * 0.1520% (0.30 1.0 1.00 0.02 0.02) = 0.152% HA VAL 73 - HA GLU- 12 0.962% * 0.1518% (0.30 1.0 1.00 0.02 0.02) = 0.152% HA GLU- 50 - HA LYS+ 108 0.962% * 0.1469% (0.29 1.0 1.00 0.02 0.02) = 0.147% HA ASN 89 - HA GLU- 56 0.962% * 0.1366% (0.27 1.0 1.00 0.02 0.02) = 0.137% HA GLU- 50 - HA GLU- 75 0.962% * 0.1276% (0.25 1.0 1.00 0.02 0.02) = 0.128% HA VAL 73 - HA SER 85 0.962% * 0.1244% (0.25 1.0 1.00 0.02 0.02) = 0.124% HA CYS 121 - HA ARG+ 84 0.962% * 0.1241% (0.25 1.0 1.00 0.02 0.02) = 0.124% HA VAL 99 - HA ARG+ 84 0.962% * 0.1241% (0.25 1.0 1.00 0.02 0.02) = 0.124% HA LYS+ 66 - HA ARG+ 84 0.962% * 0.1153% (0.23 1.0 1.00 0.02 0.02) = 0.115% HA VAL 99 - HA GLU- 56 0.962% * 0.1123% (0.22 1.0 1.00 0.02 0.02) = 0.112% HA CYS 121 - HA GLU- 56 0.962% * 0.1123% (0.22 1.0 1.00 0.02 0.02) = 0.112% HA HIS+ 14 - HA LYS+ 108 0.962% * 0.1103% (0.22 1.0 1.00 0.02 0.02) = 0.110% HA CYS 121 - HA GLU- 12 0.962% * 0.1088% (0.22 1.0 1.00 0.02 0.02) = 0.109% HA VAL 99 - HA GLU- 12 0.962% * 0.1088% (0.22 1.0 1.00 0.02 0.02) = 0.109% HA LYS+ 66 - HA GLU- 56 0.962% * 0.1044% (0.21 1.0 1.00 0.02 0.02) = 0.104% HA LYS+ 66 - HA GLU- 12 0.962% * 0.1011% (0.20 1.0 1.00 0.02 0.02) = 0.101% HA THR 24 - HA LYS+ 108 0.962% * 0.0994% (0.20 1.0 1.00 0.02 0.02) = 0.099% HA HIS+ 14 - HA GLU- 75 0.962% * 0.0958% (0.19 1.0 1.00 0.02 0.02) = 0.096% HA GLU- 50 - HA ARG+ 84 0.962% * 0.0901% (0.18 1.0 1.00 0.02 0.02) = 0.090% HA CYS 121 - HA SER 85 0.962% * 0.0892% (0.18 1.0 1.00 0.02 0.02) = 0.089% HA VAL 99 - HA SER 85 0.962% * 0.0892% (0.18 1.0 1.00 0.02 0.02) = 0.089% HA ILE 101 - HA LYS+ 108 0.962% * 0.0891% (0.18 1.0 1.00 0.02 0.02) = 0.089% HA THR 24 - HA GLU- 75 0.962% * 0.0863% (0.17 1.0 1.00 0.02 0.02) = 0.086% HA LYS+ 66 - HA SER 85 0.962% * 0.0829% (0.17 1.0 1.00 0.02 0.02) = 0.083% HA GLU- 50 - HA GLU- 56 0.962% * 0.0815% (0.16 1.0 1.00 0.02 0.02) = 0.082% HA ILE 100 - HA LYS+ 108 0.962% * 0.0796% (0.16 1.0 1.00 0.02 0.02) = 0.080% HA GLU- 50 - HA GLU- 12 0.962% * 0.0790% (0.16 1.0 1.00 0.02 0.02) = 0.079% HA ILE 101 - HA GLU- 75 0.962% * 0.0774% (0.15 1.0 1.00 0.02 3.08) = 0.077% HA ILE 100 - HA GLU- 75 0.962% * 0.0691% (0.14 1.0 1.00 0.02 0.02) = 0.069% HA HIS+ 14 - HA ARG+ 84 0.962% * 0.0677% (0.14 1.0 1.00 0.02 0.02) = 0.068% HA GLU- 50 - HA SER 85 0.962% * 0.0647% (0.13 1.0 1.00 0.02 0.02) = 0.065% HA PRO 86 - HA LYS+ 108 0.962% * 0.0626% (0.12 1.0 1.00 0.02 0.02) = 0.063% HA HIS+ 14 - HA GLU- 56 0.962% * 0.0612% (0.12 1.0 1.00 0.02 0.02) = 0.061% HB THR 24 - HA GLU- 109 0.962% * 0.0610% (0.12 1.0 1.00 0.02 0.02) = 0.061% HA THR 24 - HA ARG+ 84 0.962% * 0.0610% (0.12 1.0 1.00 0.02 0.02) = 0.061% HA LYS+ 111 - HA GLU- 109 0.962% * 0.0601% (0.12 1.0 1.00 0.02 0.02) = 0.060% HB THR 24 - HA GLU- 18 0.962% * 0.0598% (0.12 1.0 1.00 0.02 0.02) = 0.060% HA HIS+ 14 - HA GLU- 12 0.962% * 0.0593% (0.12 1.0 1.00 0.02 0.02) = 0.059% HA LYS+ 111 - HA GLU- 18 0.962% * 0.0589% (0.12 1.0 1.00 0.02 0.02) = 0.059% HA THR 24 - HA GLU- 56 0.962% * 0.0552% (0.11 1.0 1.00 0.02 0.02) = 0.055% HA ILE 101 - HA ARG+ 84 0.962% * 0.0547% (0.11 1.0 1.00 0.02 0.02) = 0.055% HA PRO 86 - HA GLU- 75 0.962% * 0.0543% (0.11 1.0 1.00 0.02 0.02) = 0.054% HA THR 24 - HA GLU- 12 0.962% * 0.0534% (0.11 1.0 1.00 0.02 0.02) = 0.053% HA ILE 101 - HA GLU- 56 0.962% * 0.0495% (0.10 1.0 1.00 0.02 0.02) = 0.049% HA ILE 100 - HA ARG+ 84 0.962% * 0.0488% (0.10 1.0 1.00 0.02 0.02) = 0.049% HA HIS+ 14 - HA SER 85 0.962% * 0.0486% (0.10 1.0 1.00 0.02 0.02) = 0.049% HA VAL 73 - HA GLU- 18 0.962% * 0.0482% (0.10 1.0 1.00 0.02 0.02) = 0.048% HA ILE 101 - HA GLU- 12 0.962% * 0.0479% (0.10 1.0 1.00 0.02 0.02) = 0.048% HA ILE 100 - HA GLU- 56 0.962% * 0.0442% (0.09 1.0 1.00 0.02 0.02) = 0.044% HA THR 24 - HA SER 85 0.962% * 0.0438% (0.09 1.0 1.00 0.02 0.02) = 0.044% HA ASN 89 - HA GLU- 109 0.962% * 0.0429% (0.09 1.0 1.00 0.02 0.02) = 0.043% HA ILE 100 - HA GLU- 12 0.962% * 0.0428% (0.09 1.0 1.00 0.02 0.02) = 0.043% HA ILE 101 - HA SER 85 0.962% * 0.0393% (0.08 1.0 1.00 0.02 0.02) = 0.039% HA PRO 86 - HA ARG+ 84 0.962% * 0.0384% (0.08 1.0 1.00 0.02 0.02) = 0.038% HA CYS 121 - HA GLU- 109 0.962% * 0.0352% (0.07 1.0 1.00 0.02 0.02) = 0.035% HA VAL 99 - HA GLU- 109 0.962% * 0.0352% (0.07 1.0 1.00 0.02 0.02) = 0.035% HA ILE 100 - HA SER 85 0.962% * 0.0351% (0.07 1.0 1.00 0.02 0.02) = 0.035% HA PRO 86 - HA GLU- 56 0.962% * 0.0347% (0.07 1.0 1.00 0.02 0.02) = 0.035% HA CYS 121 - HA GLU- 18 0.962% * 0.0345% (0.07 1.0 1.00 0.02 0.02) = 0.035% HA VAL 99 - HA GLU- 18 0.962% * 0.0345% (0.07 1.0 1.00 0.02 0.02) = 0.035% HA PRO 86 - HA GLU- 12 0.962% * 0.0337% (0.07 1.0 1.00 0.02 0.02) = 0.034% HA LYS+ 66 - HA GLU- 109 0.962% * 0.0327% (0.07 1.0 1.00 0.02 0.02) = 0.033% HA LYS+ 66 - HA GLU- 18 0.962% * 0.0321% (0.06 1.0 1.00 0.02 0.02) = 0.032% HA GLU- 50 - HA GLU- 109 0.962% * 0.0256% (0.05 1.0 1.00 0.02 0.02) = 0.026% HA GLU- 50 - HA GLU- 18 0.962% * 0.0251% (0.05 1.0 1.00 0.02 0.10) = 0.025% HA HIS+ 14 - HA GLU- 109 0.962% * 0.0192% (0.04 1.0 1.00 0.02 0.02) = 0.019% HA HIS+ 14 - HA GLU- 18 0.962% * 0.0188% (0.04 1.0 1.00 0.02 0.02) = 0.019% HA THR 24 - HA GLU- 109 0.962% * 0.0173% (0.03 1.0 1.00 0.02 0.02) = 0.017% HA THR 24 - HA GLU- 18 0.962% * 0.0170% (0.03 1.0 1.00 0.02 0.02) = 0.017% HA ILE 101 - HA GLU- 109 0.962% * 0.0155% (0.03 1.0 1.00 0.02 0.02) = 0.016% HA ILE 101 - HA GLU- 18 0.962% * 0.0152% (0.03 1.0 1.00 0.02 0.02) = 0.015% HA ILE 100 - HA GLU- 109 0.962% * 0.0139% (0.03 1.0 1.00 0.02 0.02) = 0.014% HA ILE 100 - HA GLU- 18 0.962% * 0.0136% (0.03 1.0 1.00 0.02 0.02) = 0.014% HA PRO 86 - HA GLU- 109 0.962% * 0.0109% (0.02 1.0 1.00 0.02 0.02) = 0.011% HA PRO 86 - HA GLU- 18 0.962% * 0.0107% (0.02 1.0 1.00 0.02 0.02) = 0.011% Peak 1021 (4.26, 4.26, 56.70 ppm): 5 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 HIS+ 4 - HA HIS+ 4 (0.18) kept HA LYS+ 108 - HA LYS+ 108 (0.12) kept Peak 1032 (4.22, 4.21, 56.84 ppm): 6 diagonal assignments: HA GLU- 12 - HA GLU- 12 (0.89) kept 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): 91 chemical-shift based assignments, quality = 0.5, support = 2.63, residual support = 19.0: O HB2 LYS+ 108 - HA LYS+ 108 1.099% * 71.4882% (0.65 10.0 1.00 3.35 21.13) = 71.488% kept O T HB3 GLU- 75 - HA GLU- 75 1.099% * 19.1725% (0.17 10.0 10.00 1.00 18.79) = 19.172% kept T HB3 GLU- 75 - HA GLU- 56 1.099% * 3.4947% (0.11 1.0 10.00 0.60 0.02) = 3.495% kept O HB2 GLU- 18 - HA GLU- 18 1.099% * 2.0330% (0.04 10.0 1.00 1.00 12.91) = 2.033% kept T HB2 HIS+ 14 - HA GLU- 75 1.099% * 0.5982% (0.54 1.0 10.00 0.02 0.02) = 0.598% T HB2 HIS+ 14 - HA LYS+ 108 1.099% * 0.5157% (0.47 1.0 10.00 0.02 0.02) = 0.516% T HB2 HIS+ 14 - HA GLU- 56 1.099% * 0.3632% (0.33 1.0 10.00 0.02 0.02) = 0.363% T HB3 GLU- 75 - HA LYS+ 108 1.099% * 0.1653% (0.15 1.0 10.00 0.02 0.02) = 0.165% T HB2 HIS+ 14 - HA GLU- 12 1.099% * 0.1512% (0.14 1.0 10.00 0.02 0.02) = 0.151% HB2 LYS+ 108 - HA GLU- 75 1.099% * 0.0829% (0.75 1.0 1.00 0.02 0.02) = 0.083% HB2 LYS+ 108 - HA ARG+ 84 1.099% * 0.0676% (0.61 1.0 1.00 0.02 0.02) = 0.068% HG2 PRO 86 - HA GLU- 75 1.099% * 0.0671% (0.61 1.0 1.00 0.02 0.02) = 0.067% HG2 PRO 86 - HA LYS+ 108 1.099% * 0.0579% (0.52 1.0 1.00 0.02 0.02) = 0.058% HB VAL 105 - HA GLU- 75 1.099% * 0.0561% (0.51 1.0 1.00 0.02 0.02) = 0.056% HG2 PRO 86 - HA ARG+ 84 1.099% * 0.0548% (0.49 1.0 1.00 0.02 0.02) = 0.055% HB2 LYS+ 108 - HA SER 85 1.099% * 0.0530% (0.48 1.0 1.00 0.02 0.02) = 0.053% HB2 LYS+ 108 - HA GLU- 56 1.099% * 0.0503% (0.46 1.0 1.00 0.02 0.02) = 0.050% T HB2 HIS+ 14 - HA GLU- 18 1.099% * 0.0500% (0.05 1.0 10.00 0.02 0.02) = 0.050% HB2 HIS+ 14 - HA ARG+ 84 1.099% * 0.0488% (0.44 1.0 1.00 0.02 0.02) = 0.049% HB2 GLU- 18 - HA GLU- 75 1.099% * 0.0486% (0.44 1.0 1.00 0.02 0.02) = 0.049% T HB3 GLU- 75 - HA GLU- 12 1.099% * 0.0485% (0.04 1.0 10.00 0.02 0.02) = 0.048% HB VAL 105 - HA LYS+ 108 1.099% * 0.0483% (0.44 1.0 1.00 0.02 0.02) = 0.048% HB VAL 105 - HA ARG+ 84 1.099% * 0.0457% (0.41 1.0 1.00 0.02 0.02) = 0.046% HG2 PRO 86 - HA SER 85 1.099% * 0.0429% (0.39 1.0 1.00 0.02 2.16) = 0.043% HB2 GLU- 18 - HA LYS+ 108 1.099% * 0.0419% (0.38 1.0 1.00 0.02 0.02) = 0.042% HG2 GLU- 64 - HA GLU- 75 1.099% * 0.0415% (0.37 1.0 1.00 0.02 0.02) = 0.041% HG2 PRO 86 - HA GLU- 56 1.099% * 0.0408% (0.37 1.0 1.00 0.02 0.02) = 0.041% HB2 GLU- 18 - HA ARG+ 84 1.099% * 0.0397% (0.36 1.0 1.00 0.02 0.02) = 0.040% HB2 HIS+ 14 - HA SER 85 1.099% * 0.0382% (0.35 1.0 1.00 0.02 0.02) = 0.038% HG3 PRO 104 - HA GLU- 75 1.099% * 0.0380% (0.34 1.0 1.00 0.02 0.02) = 0.038% HB VAL 105 - HA SER 85 1.099% * 0.0358% (0.32 1.0 1.00 0.02 0.02) = 0.036% HG2 GLU- 64 - HA LYS+ 108 1.099% * 0.0357% (0.32 1.0 1.00 0.02 0.02) = 0.036% HB VAL 105 - HA GLU- 56 1.099% * 0.0341% (0.31 1.0 1.00 0.02 0.02) = 0.034% HG2 GLU- 64 - HA ARG+ 84 1.099% * 0.0338% (0.31 1.0 1.00 0.02 0.02) = 0.034% HG3 PRO 104 - HA LYS+ 108 1.099% * 0.0328% (0.30 1.0 1.00 0.02 0.02) = 0.033% HB2 GLU- 18 - HA SER 85 1.099% * 0.0311% (0.28 1.0 1.00 0.02 0.02) = 0.031% HG3 PRO 104 - HA ARG+ 84 1.099% * 0.0310% (0.28 1.0 1.00 0.02 0.02) = 0.031% HB2 GLU- 18 - HA GLU- 56 1.099% * 0.0295% (0.27 1.0 1.00 0.02 0.02) = 0.030% HG2 PRO 116 - HA GLU- 75 1.099% * 0.0285% (0.26 1.0 1.00 0.02 0.02) = 0.029% HG2 GLU- 64 - HA SER 85 1.099% * 0.0265% (0.24 1.0 1.00 0.02 0.02) = 0.026% HB3 PRO 112 - HA GLU- 75 1.099% * 0.0257% (0.23 1.0 1.00 0.02 0.02) = 0.026% HG2 GLU- 64 - HA GLU- 56 1.099% * 0.0252% (0.23 1.0 1.00 0.02 0.95) = 0.025% HG2 PRO 116 - HA LYS+ 108 1.099% * 0.0246% (0.22 1.0 1.00 0.02 0.21) = 0.025% HG3 PRO 104 - HA SER 85 1.099% * 0.0243% (0.22 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 116 - HA ARG+ 84 1.099% * 0.0233% (0.21 1.0 1.00 0.02 0.02) = 0.023% HG3 PRO 104 - HA GLU- 56 1.099% * 0.0231% (0.21 1.0 1.00 0.02 0.02) = 0.023% HB3 PRO 112 - HA LYS+ 108 1.099% * 0.0222% (0.20 1.0 1.00 0.02 0.02) = 0.022% HB2 LYS+ 108 - HA GLU- 12 1.099% * 0.0210% (0.19 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 112 - HA ARG+ 84 1.099% * 0.0210% (0.19 1.0 1.00 0.02 0.02) = 0.021% HB2 PRO 112 - HA GLU- 75 1.099% * 0.0206% (0.19 1.0 1.00 0.02 0.02) = 0.021% HG2 PRO 116 - HA SER 85 1.099% * 0.0182% (0.16 1.0 1.00 0.02 0.02) = 0.018% HB2 PRO 112 - HA LYS+ 108 1.099% * 0.0177% (0.16 1.0 1.00 0.02 0.02) = 0.018% HG2 PRO 116 - HA GLU- 56 1.099% * 0.0173% (0.16 1.0 1.00 0.02 0.02) = 0.017% HG2 PRO 86 - HA GLU- 12 1.099% * 0.0170% (0.15 1.0 1.00 0.02 0.02) = 0.017% HB2 PRO 112 - HA ARG+ 84 1.099% * 0.0168% (0.15 1.0 1.00 0.02 0.02) = 0.017% HB3 PRO 112 - HA SER 85 1.099% * 0.0164% (0.15 1.0 1.00 0.02 0.02) = 0.016% T HB3 GLU- 75 - HA GLU- 18 1.099% * 0.0160% (0.01 1.0 10.00 0.02 0.02) = 0.016% HB3 GLU- 75 - HA ARG+ 84 1.099% * 0.0156% (0.14 1.0 1.00 0.02 0.02) = 0.016% HB3 PRO 112 - HA GLU- 56 1.099% * 0.0156% (0.14 1.0 1.00 0.02 0.02) = 0.016% HB2 LYS+ 44 - HA GLU- 75 1.099% * 0.0143% (0.13 1.0 1.00 0.02 0.02) = 0.014% HB3 PRO 31 - HA GLU- 75 1.099% * 0.0143% (0.13 1.0 1.00 0.02 0.02) = 0.014% HB VAL 105 - HA GLU- 12 1.099% * 0.0142% (0.13 1.0 1.00 0.02 0.02) = 0.014% HB2 PRO 112 - HA SER 85 1.099% * 0.0131% (0.12 1.0 1.00 0.02 0.02) = 0.013% HB2 PRO 112 - HA GLU- 56 1.099% * 0.0125% (0.11 1.0 1.00 0.02 0.02) = 0.012% HB2 GLU- 18 - HA GLU- 12 1.099% * 0.0123% (0.11 1.0 1.00 0.02 0.02) = 0.012% HB3 PRO 31 - HA LYS+ 108 1.099% * 0.0123% (0.11 1.0 1.00 0.02 0.02) = 0.012% HB2 LYS+ 44 - HA LYS+ 108 1.099% * 0.0123% (0.11 1.0 1.00 0.02 0.02) = 0.012% HB3 GLU- 75 - HA SER 85 1.099% * 0.0122% (0.11 1.0 1.00 0.02 0.02) = 0.012% HB3 PRO 31 - HA ARG+ 84 1.099% * 0.0116% (0.11 1.0 1.00 0.02 0.02) = 0.012% HB2 LYS+ 44 - HA ARG+ 84 1.099% * 0.0116% (0.11 1.0 1.00 0.02 0.02) = 0.012% HG2 GLU- 64 - HA GLU- 12 1.099% * 0.0105% (0.09 1.0 1.00 0.02 0.02) = 0.010% HG3 PRO 104 - HA GLU- 12 1.099% * 0.0096% (0.09 1.0 1.00 0.02 0.02) = 0.010% HB3 PRO 31 - HA SER 85 1.099% * 0.0091% (0.08 1.0 1.00 0.02 0.02) = 0.009% HB2 LYS+ 44 - HA SER 85 1.099% * 0.0091% (0.08 1.0 1.00 0.02 0.02) = 0.009% HB3 PRO 31 - HA GLU- 56 1.099% * 0.0087% (0.08 1.0 1.00 0.02 0.02) = 0.009% HB2 LYS+ 44 - HA GLU- 56 1.099% * 0.0087% (0.08 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 116 - HA GLU- 12 1.099% * 0.0072% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 108 - HA GLU- 18 1.099% * 0.0069% (0.06 1.0 1.00 0.02 0.02) = 0.007% HB3 PRO 112 - HA GLU- 12 1.099% * 0.0065% (0.06 1.0 1.00 0.02 0.02) = 0.006% HG2 PRO 86 - HA GLU- 18 1.099% * 0.0056% (0.05 1.0 1.00 0.02 0.02) = 0.006% HB2 PRO 112 - HA GLU- 12 1.099% * 0.0052% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB VAL 105 - HA GLU- 18 1.099% * 0.0047% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB2 LYS+ 44 - HA GLU- 12 1.099% * 0.0036% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 PRO 31 - HA GLU- 12 1.099% * 0.0036% (0.03 1.0 1.00 0.02 0.02) = 0.004% HG2 GLU- 64 - HA GLU- 18 1.099% * 0.0035% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 104 - HA GLU- 18 1.099% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG2 PRO 116 - HA GLU- 18 1.099% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 PRO 112 - HA GLU- 18 1.099% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB2 PRO 112 - HA GLU- 18 1.099% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB2 LYS+ 44 - HA GLU- 18 1.099% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB3 PRO 31 - HA GLU- 18 1.099% * 0.0012% (0.01 1.0 1.00 0.02 0.10) = 0.001% Peak 1052 (1.96, 4.22, 56.81 ppm): 88 chemical-shift based assignments, quality = 0.41, support = 2.37, residual support = 12.9: O HB3 GLU- 109 - HA GLU- 109 1.136% * 74.1142% (0.46 10.0 1.00 2.65 15.22) = 74.114% kept O HB2 LYS+ 108 - HA LYS+ 108 1.136% * 6.5740% (0.04 10.0 1.00 3.35 21.13) = 6.574% kept HB VAL 13 - HA GLU- 12 1.136% * 6.3137% (0.84 1.0 1.00 0.94 0.93) = 6.314% kept HB3 GLU- 109 - HA LYS+ 108 1.136% * 4.2305% (0.21 1.0 1.00 2.55 3.41) = 4.230% kept T HB2 GLU- 75 - HA GLU- 64 1.136% * 1.4040% (0.19 1.0 10.00 0.09 0.02) = 1.404% kept T HB2 GLU- 75 - HA LYS+ 44 1.136% * 1.3106% (0.08 1.0 10.00 0.19 0.02) = 1.311% kept HB2 LYS+ 108 - HA GLU- 109 1.136% * 1.2006% (0.09 1.0 1.00 1.63 3.41) = 1.201% kept T HB2 GLU- 75 - HA GLU- 12 1.136% * 0.7168% (0.44 1.0 10.00 0.02 0.02) = 0.717% T HB2 GLU- 75 - HA GLU- 109 1.136% * 0.3908% (0.24 1.0 10.00 0.02 0.02) = 0.391% T HB VAL 122 - HA LYS+ 44 1.136% * 0.2578% (0.16 1.0 10.00 0.02 0.02) = 0.258% T HB VAL 13 - HA LYS+ 44 1.136% * 0.2555% (0.16 1.0 10.00 0.02 0.02) = 0.256% T HB2 GLU- 75 - HA MET 126 1.136% * 0.2446% (0.15 1.0 10.00 0.02 0.02) = 0.245% T HB3 LYS+ 55 - HA LYS+ 44 1.136% * 0.1872% (0.12 1.0 10.00 0.02 0.02) = 0.187% T HB2 GLU- 75 - HA GLU- 18 1.136% * 0.1861% (0.12 1.0 10.00 0.02 0.02) = 0.186% HB VAL 122 - HA GLU- 12 1.136% * 0.1362% (0.85 1.0 1.00 0.02 0.02) = 0.136% HB3 GLU- 109 - HA GLU- 12 1.136% * 0.1359% (0.84 1.0 1.00 0.02 0.02) = 0.136% HG3 PRO 116 - HA GLU- 12 1.136% * 0.1335% (0.83 1.0 1.00 0.02 0.02) = 0.134% HG3 PRO 31 - HA GLU- 12 1.136% * 0.1041% (0.65 1.0 1.00 0.02 0.02) = 0.104% HB3 LYS+ 55 - HA GLU- 12 1.136% * 0.0989% (0.61 1.0 1.00 0.02 0.02) = 0.099% HG3 PRO 104 - HA GLU- 12 1.136% * 0.0881% (0.55 1.0 1.00 0.02 0.02) = 0.088% HB VAL 122 - HA GLU- 109 1.136% * 0.0743% (0.46 1.0 1.00 0.02 0.02) = 0.074% HB VAL 13 - HA GLU- 109 1.136% * 0.0736% (0.46 1.0 1.00 0.02 0.02) = 0.074% HG3 PRO 116 - HA GLU- 109 1.136% * 0.0728% (0.45 1.0 1.00 0.02 0.02) = 0.073% T HB2 PRO 116 - HA LYS+ 44 1.136% * 0.0643% (0.04 1.0 10.00 0.02 0.02) = 0.064% HB VAL 122 - HA GLU- 64 1.136% * 0.0581% (0.36 1.0 1.00 0.02 0.02) = 0.058% HB3 GLU- 109 - HA GLU- 64 1.136% * 0.0580% (0.36 1.0 1.00 0.02 0.02) = 0.058% HB VAL 13 - HA GLU- 64 1.136% * 0.0576% (0.36 1.0 1.00 0.02 0.02) = 0.058% HG3 PRO 116 - HA GLU- 64 1.136% * 0.0570% (0.35 1.0 1.00 0.02 0.02) = 0.057% HG3 PRO 31 - HA GLU- 109 1.136% * 0.0568% (0.35 1.0 1.00 0.02 0.02) = 0.057% HB3 LYS+ 55 - HA GLU- 109 1.136% * 0.0539% (0.33 1.0 1.00 0.02 0.02) = 0.054% HG3 PRO 104 - HA GLU- 109 1.136% * 0.0481% (0.30 1.0 1.00 0.02 0.02) = 0.048% HB VAL 122 - HA MET 126 1.136% * 0.0465% (0.29 1.0 1.00 0.02 0.02) = 0.046% HB3 GLU- 109 - HA MET 126 1.136% * 0.0464% (0.29 1.0 1.00 0.02 0.02) = 0.046% HB VAL 13 - HA MET 126 1.136% * 0.0461% (0.29 1.0 1.00 0.02 0.02) = 0.046% HG3 PRO 116 - HA MET 126 1.136% * 0.0456% (0.28 1.0 1.00 0.02 0.02) = 0.046% HG3 PRO 31 - HA GLU- 64 1.136% * 0.0444% (0.28 1.0 1.00 0.02 0.02) = 0.044% HB3 LYS+ 55 - HA GLU- 64 1.136% * 0.0422% (0.26 1.0 1.00 0.02 0.02) = 0.042% HG2 PRO 112 - HA GLU- 12 1.136% * 0.0421% (0.26 1.0 1.00 0.02 0.02) = 0.042% HG3 PRO 104 - HA GLU- 64 1.136% * 0.0376% (0.23 1.0 1.00 0.02 0.02) = 0.038% HG3 PRO 31 - HA MET 126 1.136% * 0.0355% (0.22 1.0 1.00 0.02 0.02) = 0.036% HB VAL 122 - HA GLU- 18 1.136% * 0.0354% (0.22 1.0 1.00 0.02 0.02) = 0.035% HB3 GLU- 109 - HA GLU- 18 1.136% * 0.0353% (0.22 1.0 1.00 0.02 0.02) = 0.035% HB VAL 13 - HA GLU- 18 1.136% * 0.0351% (0.22 1.0 1.00 0.02 0.02) = 0.035% HG3 PRO 116 - HA GLU- 18 1.136% * 0.0347% (0.22 1.0 1.00 0.02 0.02) = 0.035% HB2 PRO 116 - HA GLU- 12 1.136% * 0.0340% (0.21 1.0 1.00 0.02 0.02) = 0.034% HB3 LYS+ 55 - HA MET 126 1.136% * 0.0338% (0.21 1.0 1.00 0.02 0.02) = 0.034% HB VAL 122 - HA LYS+ 108 1.136% * 0.0332% (0.21 1.0 1.00 0.02 0.02) = 0.033% HB VAL 13 - HA LYS+ 108 1.136% * 0.0329% (0.20 1.0 1.00 0.02 0.02) = 0.033% HG3 PRO 116 - HA LYS+ 108 1.136% * 0.0326% (0.20 1.0 1.00 0.02 0.21) = 0.033% HG3 PRO 104 - HA MET 126 1.136% * 0.0301% (0.19 1.0 1.00 0.02 0.13) = 0.030% HG3 PRO 31 - HA GLU- 18 1.136% * 0.0270% (0.17 1.0 1.00 0.02 0.10) = 0.027% HB2 LYS+ 108 - HA GLU- 12 1.136% * 0.0270% (0.17 1.0 1.00 0.02 0.02) = 0.027% HB3 GLU- 109 - HA LYS+ 44 1.136% * 0.0257% (0.16 1.0 1.00 0.02 0.02) = 0.026% HB3 LYS+ 55 - HA GLU- 18 1.136% * 0.0257% (0.16 1.0 1.00 0.02 0.11) = 0.026% HG3 PRO 31 - HA LYS+ 108 1.136% * 0.0254% (0.16 1.0 1.00 0.02 0.02) = 0.025% HG3 PRO 116 - HA LYS+ 44 1.136% * 0.0253% (0.16 1.0 1.00 0.02 0.02) = 0.025% HB3 LYS+ 55 - HA LYS+ 108 1.136% * 0.0241% (0.15 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 112 - HA GLU- 109 1.136% * 0.0229% (0.14 1.0 1.00 0.02 0.02) = 0.023% HG3 PRO 104 - HA GLU- 18 1.136% * 0.0229% (0.14 1.0 1.00 0.02 0.02) = 0.023% HG3 PRO 104 - HA LYS+ 108 1.136% * 0.0215% (0.13 1.0 1.00 0.02 0.02) = 0.021% HG3 PRO 31 - HA LYS+ 44 1.136% * 0.0197% (0.12 1.0 1.00 0.02 0.13) = 0.020% HB2 PRO 116 - HA GLU- 109 1.136% * 0.0185% (0.11 1.0 1.00 0.02 0.02) = 0.019% HG2 PRO 112 - HA GLU- 64 1.136% * 0.0179% (0.11 1.0 1.00 0.02 0.02) = 0.018% HB2 GLU- 75 - HA LYS+ 108 1.136% * 0.0175% (0.11 1.0 1.00 0.02 0.02) = 0.017% HG3 PRO 104 - HA LYS+ 44 1.136% * 0.0167% (0.10 1.0 1.00 0.02 0.02) = 0.017% HB2 PRO 116 - HA GLU- 64 1.136% * 0.0145% (0.09 1.0 1.00 0.02 0.02) = 0.014% HG2 PRO 112 - HA MET 126 1.136% * 0.0144% (0.09 1.0 1.00 0.02 0.02) = 0.014% HB2 PRO 116 - HA MET 126 1.136% * 0.0116% (0.07 1.0 1.00 0.02 0.02) = 0.012% HB2 LYS+ 108 - HA GLU- 64 1.136% * 0.0115% (0.07 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HA GLU- 18 1.136% * 0.0109% (0.07 1.0 1.00 0.02 0.02) = 0.011% HG2 PRO 112 - HA LYS+ 108 1.136% * 0.0103% (0.06 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 108 - HA MET 126 1.136% * 0.0092% (0.06 1.0 1.00 0.02 0.02) = 0.009% HB2 PRO 116 - HA GLU- 18 1.136% * 0.0088% (0.05 1.0 1.00 0.02 0.02) = 0.009% HB VAL 122 - HA GLU- 56 1.136% * 0.0084% (0.05 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 109 - HA GLU- 56 1.136% * 0.0083% (0.05 1.0 1.00 0.02 0.02) = 0.008% HB2 PRO 116 - HA LYS+ 108 1.136% * 0.0083% (0.05 1.0 1.00 0.02 0.21) = 0.008% HB VAL 13 - HA GLU- 56 1.136% * 0.0083% (0.05 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 116 - HA GLU- 56 1.136% * 0.0082% (0.05 1.0 1.00 0.02 0.02) = 0.008% HG2 PRO 112 - HA LYS+ 44 1.136% * 0.0080% (0.05 1.0 1.00 0.02 0.02) = 0.008% HB2 LYS+ 108 - HA GLU- 18 1.136% * 0.0070% (0.04 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 31 - HA GLU- 56 1.136% * 0.0064% (0.04 1.0 1.00 0.02 0.02) = 0.006% HB3 LYS+ 55 - HA GLU- 56 1.136% * 0.0061% (0.04 1.0 1.00 0.02 8.52) = 0.006% HG3 PRO 104 - HA GLU- 56 1.136% * 0.0054% (0.03 1.0 1.00 0.02 0.02) = 0.005% HB2 LYS+ 108 - HA LYS+ 44 1.136% * 0.0051% (0.03 1.0 1.00 0.02 0.02) = 0.005% HB2 GLU- 75 - HA GLU- 56 1.136% * 0.0044% (0.03 1.0 1.00 0.02 0.02) = 0.004% HG2 PRO 112 - HA GLU- 56 1.136% * 0.0026% (0.02 1.0 1.00 0.02 0.02) = 0.003% HB2 PRO 116 - HA GLU- 56 1.136% * 0.0021% (0.01 1.0 1.00 0.02 0.02) = 0.002% HB2 LYS+ 108 - HA GLU- 56 1.136% * 0.0017% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 1053 (1.40, 4.21, 56.79 ppm): 84 chemical-shift based assignments, quality = 0.113, support = 1.66, residual support = 5.22: T QG2 THR 38 - HA LYS+ 44 1.190% * 33.8375% (0.14 1.0 10.00 1.29 0.50) = 33.838% kept O T HG3 LYS+ 108 - HA LYS+ 108 1.190% * 19.6661% (0.05 10.0 10.00 3.20 21.13) = 19.666% kept T QB ALA 37 - HA LYS+ 44 1.190% * 12.8648% (0.14 1.0 10.00 0.49 0.02) = 12.865% kept HG LEU 74 - HA MET 126 1.190% * 6.0327% (0.16 1.0 1.00 2.00 2.45) = 6.033% kept HG3 LYS+ 108 - HA GLU- 109 1.190% * 5.2011% (0.17 1.0 1.00 1.62 3.41) = 5.201% kept HG LEU 74 - HA LYS+ 44 1.190% * 4.9590% (0.08 1.0 1.00 3.51 3.69) = 4.959% kept HG LEU 74 - HA GLU- 64 1.190% * 3.4249% (0.18 1.0 1.00 1.01 0.12) = 3.425% kept HD3 LYS+ 44 - HA LYS+ 44 1.190% * 3.0414% (0.07 1.0 1.00 2.48 11.43) = 3.041% kept HG LEU 74 - HA GLU- 18 1.190% * 2.5261% (0.09 1.0 1.00 1.48 1.47) = 2.526% kept HG LEU 74 - HA GLU- 109 1.190% * 1.6898% (0.20 1.0 1.00 0.46 0.02) = 1.690% kept HD3 LYS+ 20 - HA LYS+ 44 1.190% * 0.9654% (0.17 1.0 1.00 0.31 0.02) = 0.965% HD3 LYS+ 20 - HA GLU- 12 1.190% * 0.2789% (0.75 1.0 1.00 0.02 0.02) = 0.279% QB ALA 42 - HA GLU- 12 1.190% * 0.2557% (0.69 1.0 1.00 0.02 0.02) = 0.256% T QG2 THR 39 - HA LYS+ 44 1.190% * 0.2456% (0.07 1.0 10.00 0.02 0.02) = 0.246% T HG3 LYS+ 108 - HA LYS+ 44 1.190% * 0.2456% (0.07 1.0 10.00 0.02 0.02) = 0.246% QB ALA 37 - HA GLU- 12 1.190% * 0.2360% (0.64 1.0 1.00 0.02 0.02) = 0.236% QG2 THR 38 - HA GLU- 12 1.190% * 0.2360% (0.64 1.0 1.00 0.02 0.02) = 0.236% HD3 LYS+ 20 - HA GLU- 109 1.190% * 0.1616% (0.43 1.0 1.00 0.02 0.02) = 0.162% HD3 LYS+ 20 - HA GLU- 64 1.190% * 0.1491% (0.40 1.0 1.00 0.02 0.02) = 0.149% QB ALA 42 - HA GLU- 109 1.190% * 0.1482% (0.40 1.0 1.00 0.02 0.02) = 0.148% T HG2 LYS+ 78 - HA LYS+ 44 1.190% * 0.1457% (0.04 1.0 10.00 0.02 0.02) = 0.146% QB ALA 42 - HA GLU- 64 1.190% * 0.1368% (0.37 1.0 1.00 0.02 0.02) = 0.137% QG2 THR 38 - HA GLU- 109 1.190% * 0.1368% (0.37 1.0 1.00 0.02 0.02) = 0.137% QB ALA 37 - HA GLU- 109 1.190% * 0.1368% (0.37 1.0 1.00 0.02 0.02) = 0.137% HD3 LYS+ 20 - HA MET 126 1.190% * 0.1324% (0.36 1.0 1.00 0.02 0.02) = 0.132% HB2 LYS+ 20 - HA GLU- 12 1.190% * 0.1322% (0.36 1.0 1.00 0.02 0.02) = 0.132% HG LEU 74 - HA GLU- 12 1.190% * 0.1271% (0.34 1.0 1.00 0.02 0.02) = 0.127% QG2 THR 38 - HA GLU- 64 1.190% * 0.1263% (0.34 1.0 1.00 0.02 0.02) = 0.126% QB ALA 37 - HA GLU- 64 1.190% * 0.1263% (0.34 1.0 1.00 0.02 0.02) = 0.126% QB ALA 42 - HA MET 126 1.190% * 0.1214% (0.33 1.0 1.00 0.02 0.02) = 0.121% QG2 THR 38 - HA MET 126 1.190% * 0.1121% (0.30 1.0 1.00 0.02 0.02) = 0.112% QB ALA 37 - HA MET 126 1.190% * 0.1121% (0.30 1.0 1.00 0.02 0.02) = 0.112% QG2 THR 39 - HA GLU- 12 1.190% * 0.1106% (0.30 1.0 1.00 0.02 0.02) = 0.111% HD3 LYS+ 44 - HA GLU- 12 1.190% * 0.1106% (0.30 1.0 1.00 0.02 0.02) = 0.111% HG3 LYS+ 108 - HA GLU- 12 1.190% * 0.1106% (0.30 1.0 1.00 0.02 0.02) = 0.111% HB2 LYS+ 20 - HA GLU- 109 1.190% * 0.0766% (0.21 1.0 1.00 0.02 0.02) = 0.077% HD3 LYS+ 20 - HA GLU- 18 1.190% * 0.0750% (0.20 1.0 1.00 0.02 0.02) = 0.075% HB2 LYS+ 20 - HA GLU- 64 1.190% * 0.0707% (0.19 1.0 1.00 0.02 0.02) = 0.071% QB ALA 42 - HA GLU- 18 1.190% * 0.0688% (0.19 1.0 1.00 0.02 0.02) = 0.069% HG2 LYS+ 78 - HA GLU- 12 1.190% * 0.0656% (0.18 1.0 1.00 0.02 0.02) = 0.066% QG2 THR 39 - HA GLU- 109 1.190% * 0.0641% (0.17 1.0 1.00 0.02 0.02) = 0.064% HD3 LYS+ 44 - HA GLU- 109 1.190% * 0.0641% (0.17 1.0 1.00 0.02 0.02) = 0.064% QG2 THR 38 - HA GLU- 18 1.190% * 0.0635% (0.17 1.0 1.00 0.02 0.02) = 0.063% QB ALA 37 - HA GLU- 18 1.190% * 0.0635% (0.17 1.0 1.00 0.02 0.02) = 0.063% HB2 LYS+ 20 - HA MET 126 1.190% * 0.0628% (0.17 1.0 1.00 0.02 0.02) = 0.063% QG2 THR 39 - HA GLU- 64 1.190% * 0.0592% (0.16 1.0 1.00 0.02 0.02) = 0.059% HD3 LYS+ 44 - HA GLU- 64 1.190% * 0.0592% (0.16 1.0 1.00 0.02 0.02) = 0.059% HG3 LYS+ 108 - HA GLU- 64 1.190% * 0.0592% (0.16 1.0 1.00 0.02 0.02) = 0.059% HB3 LYS+ 20 - HA GLU- 12 1.190% * 0.0583% (0.16 1.0 1.00 0.02 0.02) = 0.058% QB ALA 42 - HA LYS+ 44 1.190% * 0.0568% (0.15 1.0 1.00 0.02 0.02) = 0.057% QG2 THR 39 - HA MET 126 1.190% * 0.0525% (0.14 1.0 1.00 0.02 0.02) = 0.053% HG3 LYS+ 108 - HA MET 126 1.190% * 0.0525% (0.14 1.0 1.00 0.02 0.02) = 0.053% HD3 LYS+ 44 - HA MET 126 1.190% * 0.0525% (0.14 1.0 1.00 0.02 0.02) = 0.053% HD3 LYS+ 20 - HA LYS+ 108 1.190% * 0.0496% (0.13 1.0 1.00 0.02 0.02) = 0.050% HD3 LYS+ 113 - HA GLU- 12 1.190% * 0.0455% (0.12 1.0 1.00 0.02 0.02) = 0.045% QB ALA 42 - HA LYS+ 108 1.190% * 0.0455% (0.12 1.0 1.00 0.02 0.02) = 0.045% QG2 THR 38 - HA LYS+ 108 1.190% * 0.0420% (0.11 1.0 1.00 0.02 0.02) = 0.042% QB ALA 37 - HA LYS+ 108 1.190% * 0.0420% (0.11 1.0 1.00 0.02 0.02) = 0.042% HG2 LYS+ 78 - HA GLU- 109 1.190% * 0.0380% (0.10 1.0 1.00 0.02 0.02) = 0.038% HB2 LYS+ 20 - HA GLU- 18 1.190% * 0.0355% (0.10 1.0 1.00 0.02 0.02) = 0.036% HG2 LYS+ 78 - HA GLU- 64 1.190% * 0.0351% (0.09 1.0 1.00 0.02 0.02) = 0.035% HB3 LYS+ 20 - HA GLU- 109 1.190% * 0.0338% (0.09 1.0 1.00 0.02 0.02) = 0.034% HB3 LYS+ 20 - HA GLU- 64 1.190% * 0.0312% (0.08 1.0 1.00 0.02 0.02) = 0.031% HG2 LYS+ 78 - HA MET 126 1.190% * 0.0312% (0.08 1.0 1.00 0.02 0.02) = 0.031% QG2 THR 39 - HA GLU- 18 1.190% * 0.0298% (0.08 1.0 1.00 0.02 0.02) = 0.030% HG3 LYS+ 108 - HA GLU- 18 1.190% * 0.0298% (0.08 1.0 1.00 0.02 0.02) = 0.030% HD3 LYS+ 44 - HA GLU- 18 1.190% * 0.0298% (0.08 1.0 1.00 0.02 0.02) = 0.030% HB2 LYS+ 20 - HA LYS+ 44 1.190% * 0.0293% (0.08 1.0 1.00 0.02 0.02) = 0.029% HB3 LYS+ 20 - HA MET 126 1.190% * 0.0277% (0.07 1.0 1.00 0.02 0.02) = 0.028% HD3 LYS+ 113 - HA GLU- 109 1.190% * 0.0264% (0.07 1.0 1.00 0.02 0.02) = 0.026% HD3 LYS+ 113 - HA GLU- 64 1.190% * 0.0243% (0.07 1.0 1.00 0.02 0.02) = 0.024% HB2 LYS+ 20 - HA LYS+ 108 1.190% * 0.0235% (0.06 1.0 1.00 0.02 0.02) = 0.023% HG LEU 74 - HA LYS+ 108 1.190% * 0.0226% (0.06 1.0 1.00 0.02 0.02) = 0.023% HD3 LYS+ 113 - HA MET 126 1.190% * 0.0216% (0.06 1.0 1.00 0.02 0.02) = 0.022% QG2 THR 39 - HA LYS+ 108 1.190% * 0.0197% (0.05 1.0 1.00 0.02 0.02) = 0.020% HD3 LYS+ 44 - HA LYS+ 108 1.190% * 0.0197% (0.05 1.0 1.00 0.02 0.02) = 0.020% HG2 LYS+ 78 - HA GLU- 18 1.190% * 0.0176% (0.05 1.0 1.00 0.02 0.02) = 0.018% HB3 LYS+ 20 - HA GLU- 18 1.190% * 0.0157% (0.04 1.0 1.00 0.02 0.02) = 0.016% HB3 LYS+ 20 - HA LYS+ 44 1.190% * 0.0129% (0.03 1.0 1.00 0.02 0.02) = 0.013% HD3 LYS+ 113 - HA GLU- 18 1.190% * 0.0122% (0.03 1.0 1.00 0.02 0.17) = 0.012% HG2 LYS+ 78 - HA LYS+ 108 1.190% * 0.0117% (0.03 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 20 - HA LYS+ 108 1.190% * 0.0104% (0.03 1.0 1.00 0.02 0.02) = 0.010% HD3 LYS+ 113 - HA LYS+ 44 1.190% * 0.0101% (0.03 1.0 1.00 0.02 0.02) = 0.010% HD3 LYS+ 113 - HA LYS+ 108 1.190% * 0.0081% (0.02 1.0 1.00 0.02 0.02) = 0.008% Peak 1054 (0.89, 4.23, 56.68 ppm): 112 chemical-shift based assignments, quality = 0.203, support = 1.33, residual support = 1.35: HG LEU 74 - HA GLU- 18 0.893% * 28.0422% (0.33 1.48 1.47) = 28.042% kept HG LEU 74 - HA LYS+ 44 0.893% * 18.3051% (0.09 3.51 3.69) = 18.305% kept QG1 VAL 40 - HA GLU- 18 0.893% * 13.0613% (0.49 0.46 0.02) = 13.061% kept HG LEU 74 - HA GLU- 75 0.893% * 5.3468% (0.04 2.22 4.49) = 5.347% kept QG1 VAL 40 - HA HIS+ 4 0.893% * 4.5506% (0.14 0.56 0.02) = 4.551% kept QG2 VAL 87 - HA LYS+ 44 0.893% * 3.9760% (0.11 0.63 0.32) = 3.976% kept QG1 VAL 47 - HA GLU- 18 0.893% * 2.9955% (0.47 0.11 0.02) = 2.995% kept HG LEU 74 - HA GLU- 64 0.893% * 2.8127% (0.05 1.01 0.12) = 2.813% kept HG LEU 74 - HA GLU- 109 0.893% * 1.7604% (0.07 0.46 0.02) = 1.760% kept QD1 LEU 67 - HA LYS+ 44 0.893% * 0.7742% (0.12 0.11 0.02) = 0.774% QG1 VAL 80 - HA GLU- 18 0.893% * 0.7153% (0.62 0.02 0.02) = 0.715% QG1 VAL 122 - HA GLU- 18 0.893% * 0.6904% (0.60 0.02 0.02) = 0.690% HG13 ILE 68 - HA LYS+ 44 0.893% * 0.6257% (0.10 0.11 0.72) = 0.626% QG2 VAL 47 - HA GLU- 18 0.893% * 0.6205% (0.54 0.02 0.02) = 0.621% QG2 VAL 125 - HA GLU- 18 0.893% * 0.5975% (0.52 0.02 0.02) = 0.598% QG2 VAL 105 - HA GLU- 18 0.893% * 0.5728% (0.49 0.02 0.02) = 0.573% QD1 LEU 67 - HA GLU- 18 0.893% * 0.4914% (0.42 0.02 0.02) = 0.491% QG1 VAL 80 - HA GLU- 12 0.893% * 0.4821% (0.42 0.02 0.02) = 0.482% QG1 VAL 122 - HA GLU- 12 0.893% * 0.4653% (0.40 0.02 0.02) = 0.465% QG2 VAL 87 - HA GLU- 18 0.893% * 0.4628% (0.40 0.02 0.02) = 0.463% HG13 ILE 68 - HA GLU- 18 0.893% * 0.4339% (0.37 0.02 0.02) = 0.434% QG2 VAL 47 - HA GLU- 12 0.893% * 0.4182% (0.36 0.02 0.02) = 0.418% QG2 VAL 125 - HA GLU- 12 0.893% * 0.4027% (0.35 0.02 0.02) = 0.403% QG2 VAL 105 - HA GLU- 12 0.893% * 0.3861% (0.33 0.02 0.02) = 0.386% QG1 VAL 40 - HA GLU- 12 0.893% * 0.3861% (0.33 0.02 0.02) = 0.386% QG2 VAL 122 - HA GLU- 18 0.893% * 0.3764% (0.33 0.02 0.02) = 0.376% QG1 VAL 47 - HA GLU- 12 0.893% * 0.3685% (0.32 0.02 0.02) = 0.368% QD1 LEU 67 - HA GLU- 12 0.893% * 0.3312% (0.29 0.02 0.02) = 0.331% QG2 VAL 87 - HA GLU- 12 0.893% * 0.3119% (0.27 0.02 0.02) = 0.312% HG13 ILE 68 - HA GLU- 12 0.893% * 0.2924% (0.25 0.02 0.02) = 0.292% HG LEU 74 - HA GLU- 12 0.893% * 0.2558% (0.22 0.02 0.02) = 0.256% QG2 VAL 122 - HA GLU- 12 0.893% * 0.2537% (0.22 0.02 0.02) = 0.254% HG13 ILE 68 - HA GLU- 75 0.893% * 0.2332% (0.05 0.08 0.02) = 0.233% QG1 VAL 80 - HA HIS+ 4 0.893% * 0.2029% (0.18 0.02 0.02) = 0.203% QG1 VAL 80 - HA LYS+ 44 0.893% * 0.1963% (0.17 0.02 0.40) = 0.196% QG1 VAL 122 - HA HIS+ 4 0.893% * 0.1958% (0.17 0.02 0.02) = 0.196% QG1 VAL 122 - HA LYS+ 44 0.893% * 0.1895% (0.16 0.02 0.02) = 0.189% QG2 ILE 100 - HA GLU- 18 0.893% * 0.1784% (0.15 0.02 0.02) = 0.178% QG2 VAL 47 - HA HIS+ 4 0.893% * 0.1760% (0.15 0.02 0.02) = 0.176% QG2 VAL 47 - HA LYS+ 44 0.893% * 0.1703% (0.15 0.02 0.02) = 0.170% QG2 VAL 125 - HA HIS+ 4 0.893% * 0.1695% (0.15 0.02 0.02) = 0.169% QG2 VAL 125 - HA LYS+ 44 0.893% * 0.1640% (0.14 0.02 0.02) = 0.164% QG2 VAL 105 - HA HIS+ 4 0.893% * 0.1625% (0.14 0.02 0.02) = 0.162% QD1 LEU 90 - HA GLU- 18 0.893% * 0.1593% (0.14 0.02 0.02) = 0.159% QG1 VAL 40 - HA LYS+ 44 0.893% * 0.1572% (0.14 0.02 0.02) = 0.157% QG2 VAL 105 - HA LYS+ 44 0.893% * 0.1572% (0.14 0.02 0.02) = 0.157% QG1 VAL 80 - HA LYS+ 108 0.893% * 0.1567% (0.14 0.02 0.02) = 0.157% QG1 VAL 47 - HA HIS+ 4 0.893% * 0.1551% (0.13 0.02 0.02) = 0.155% QG1 VAL 122 - HA LYS+ 108 0.893% * 0.1512% (0.13 0.02 0.02) = 0.151% QG1 VAL 47 - HA LYS+ 44 0.893% * 0.1501% (0.13 0.02 0.02) = 0.150% QG1 VAL 80 - HA GLU- 109 0.893% * 0.1446% (0.12 0.02 0.02) = 0.145% QG1 VAL 122 - HA GLU- 109 0.893% * 0.1396% (0.12 0.02 0.02) = 0.140% QD1 LEU 67 - HA HIS+ 4 0.893% * 0.1394% (0.12 0.02 0.02) = 0.139% QG2 VAL 47 - HA LYS+ 108 0.893% * 0.1359% (0.12 0.02 0.02) = 0.136% QG2 VAL 87 - HA HIS+ 4 0.893% * 0.1313% (0.11 0.02 0.02) = 0.131% QG2 VAL 125 - HA LYS+ 108 0.893% * 0.1309% (0.11 0.02 0.02) = 0.131% QG2 VAL 105 - HA LYS+ 108 0.893% * 0.1255% (0.11 0.02 0.02) = 0.125% QG1 VAL 40 - HA LYS+ 108 0.893% * 0.1255% (0.11 0.02 0.02) = 0.125% QG2 VAL 47 - HA GLU- 109 0.893% * 0.1255% (0.11 0.02 0.02) = 0.125% HG13 ILE 68 - HA HIS+ 4 0.893% * 0.1231% (0.11 0.02 0.02) = 0.123% QG2 VAL 125 - HA GLU- 109 0.893% * 0.1208% (0.10 0.02 0.02) = 0.121% QG2 ILE 100 - HA GLU- 12 0.893% * 0.1202% (0.10 0.02 0.02) = 0.120% QG1 VAL 47 - HA LYS+ 108 0.893% * 0.1198% (0.10 0.02 0.02) = 0.120% QG1 VAL 40 - HA GLU- 109 0.893% * 0.1158% (0.10 0.02 0.02) = 0.116% QG2 VAL 105 - HA GLU- 109 0.893% * 0.1158% (0.10 0.02 0.02) = 0.116% QG1 VAL 47 - HA GLU- 109 0.893% * 0.1105% (0.10 0.02 0.02) = 0.111% HG LEU 74 - HA HIS+ 4 0.893% * 0.1077% (0.09 0.02 0.02) = 0.108% QD1 LEU 67 - HA LYS+ 108 0.893% * 0.1076% (0.09 0.02 0.02) = 0.108% QD1 LEU 90 - HA GLU- 12 0.893% * 0.1073% (0.09 0.02 0.02) = 0.107% QG2 VAL 122 - HA HIS+ 4 0.893% * 0.1068% (0.09 0.02 0.02) = 0.107% QG1 VAL 80 - HA GLU- 64 0.893% * 0.1053% (0.09 0.02 0.02) = 0.105% QG2 VAL 122 - HA LYS+ 44 0.893% * 0.1033% (0.09 0.02 0.02) = 0.103% QG1 VAL 122 - HA GLU- 64 0.893% * 0.1016% (0.09 0.02 0.02) = 0.102% QG2 VAL 87 - HA LYS+ 108 0.893% * 0.1014% (0.09 0.02 0.02) = 0.101% QD1 LEU 67 - HA GLU- 109 0.893% * 0.0993% (0.09 0.02 0.02) = 0.099% HG13 ILE 68 - HA LYS+ 108 0.893% * 0.0951% (0.08 0.02 0.02) = 0.095% QG2 VAL 87 - HA GLU- 109 0.893% * 0.0936% (0.08 0.02 0.02) = 0.094% QG2 VAL 47 - HA GLU- 64 0.893% * 0.0913% (0.08 0.02 0.02) = 0.091% QG1 VAL 80 - HA GLU- 75 0.893% * 0.0907% (0.08 0.02 0.02) = 0.091% QG2 VAL 125 - HA GLU- 64 0.893% * 0.0879% (0.08 0.02 0.02) = 0.088% HG13 ILE 68 - HA GLU- 109 0.893% * 0.0877% (0.08 0.02 0.02) = 0.088% QG1 VAL 122 - HA GLU- 75 0.893% * 0.0876% (0.08 0.02 0.02) = 0.088% QG2 VAL 105 - HA GLU- 64 0.893% * 0.0843% (0.07 0.02 0.02) = 0.084% QG1 VAL 40 - HA GLU- 64 0.893% * 0.0843% (0.07 0.02 0.02) = 0.084% HG LEU 74 - HA LYS+ 108 0.893% * 0.0831% (0.07 0.02 0.02) = 0.083% QG2 VAL 122 - HA LYS+ 108 0.893% * 0.0824% (0.07 0.02 0.02) = 0.082% QG1 VAL 47 - HA GLU- 64 0.893% * 0.0804% (0.07 0.02 0.02) = 0.080% QG2 VAL 47 - HA GLU- 75 0.893% * 0.0787% (0.07 0.02 0.02) = 0.079% QG2 VAL 122 - HA GLU- 109 0.893% * 0.0761% (0.07 0.02 0.02) = 0.076% QG2 VAL 125 - HA GLU- 75 0.893% * 0.0758% (0.07 0.02 0.02) = 0.076% QG1 VAL 40 - HA GLU- 75 0.893% * 0.0727% (0.06 0.02 0.02) = 0.073% QG2 VAL 105 - HA GLU- 75 0.893% * 0.0727% (0.06 0.02 0.02) = 0.073% QD1 LEU 67 - HA GLU- 64 0.893% * 0.0723% (0.06 0.02 0.02) = 0.072% QG1 VAL 47 - HA GLU- 75 0.893% * 0.0693% (0.06 0.02 0.02) = 0.069% QG2 VAL 87 - HA GLU- 64 0.893% * 0.0681% (0.06 0.02 0.02) = 0.068% HG13 ILE 68 - HA GLU- 64 0.893% * 0.0638% (0.06 0.02 0.02) = 0.064% QD1 LEU 67 - HA GLU- 75 0.893% * 0.0623% (0.05 0.02 0.02) = 0.062% QG2 VAL 87 - HA GLU- 75 0.893% * 0.0587% (0.05 0.02 0.02) = 0.059% QG2 VAL 122 - HA GLU- 64 0.893% * 0.0554% (0.05 0.02 0.02) = 0.055% QG2 ILE 100 - HA HIS+ 4 0.893% * 0.0506% (0.04 0.02 0.02) = 0.051% QG2 ILE 100 - HA LYS+ 44 0.893% * 0.0490% (0.04 0.02 0.02) = 0.049% QG2 VAL 122 - HA GLU- 75 0.893% * 0.0477% (0.04 0.02 0.02) = 0.048% QD1 LEU 90 - HA HIS+ 4 0.893% * 0.0452% (0.04 0.02 0.02) = 0.045% QD1 LEU 90 - HA LYS+ 44 0.893% * 0.0437% (0.04 0.02 0.02) = 0.044% QG2 ILE 100 - HA LYS+ 108 0.893% * 0.0391% (0.03 0.02 0.02) = 0.039% QG2 ILE 100 - HA GLU- 109 0.893% * 0.0361% (0.03 0.02 0.02) = 0.036% QD1 LEU 90 - HA LYS+ 108 0.893% * 0.0349% (0.03 0.02 0.02) = 0.035% QD1 LEU 90 - HA GLU- 109 0.893% * 0.0322% (0.03 0.02 0.02) = 0.032% QG2 ILE 100 - HA GLU- 64 0.893% * 0.0262% (0.02 0.02 0.02) = 0.026% QD1 LEU 90 - HA GLU- 64 0.893% * 0.0234% (0.02 0.02 0.02) = 0.023% QG2 ILE 100 - HA GLU- 75 0.893% * 0.0226% (0.02 0.02 0.02) = 0.023% QD1 LEU 90 - HA GLU- 75 0.893% * 0.0202% (0.02 0.02 0.45) = 0.020% Peak 1056 (8.09, 3.94, 56.35 ppm): 8 chemical-shift based assignments, quality = 0.102, support = 0.422, residual support = 0.147: HN GLY 2 - HA LYS+ 44 12.500% * 44.9824% (0.11 0.40 0.15) = 44.982% kept HN SER 88 - HA LYS+ 44 12.500% * 36.5726% (0.06 0.64 0.21) = 36.573% kept HN VAL 122 - HA LYS+ 44 12.500% * 4.2166% (0.22 0.02 0.02) = 4.217% kept HN LYS+ 110 - HA LYS+ 44 12.500% * 3.6576% (0.19 0.02 0.02) = 3.658% kept HN CYS 121 - HA LYS+ 44 12.500% * 3.6576% (0.19 0.02 0.02) = 3.658% kept HN GLY 26 - HA LYS+ 44 12.500% * 2.4664% (0.03 0.08 0.02) = 2.466% kept HN HIS+ 3 - HA LYS+ 44 12.500% * 2.2234% (0.11 0.02 0.02) = 2.223% kept HN HIS+ 5 - HA LYS+ 44 12.500% * 2.2234% (0.11 0.02 0.02) = 2.223% 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): 12 chemical-shift based assignments, quality = 0.191, support = 1.79, residual support = 4.16: O HD2 PRO 52 - HA TRP 51 8.333% * 54.7628% (0.11 10.0 1.89 4.27) = 54.763% kept HB2 HIS+ 4 - HA TRP 51 8.333% * 17.6916% (0.28 1.0 2.34 7.08) = 17.692% kept HA ASN 89 - HA TRP 51 8.333% * 10.2838% (0.21 1.0 1.83 4.28) = 10.284% kept HA ILE 48 - HA TRP 51 8.333% * 9.5444% (0.29 1.0 1.25 1.20) = 9.544% kept HA ASN 89 - HA LYS+ 60 8.333% * 6.6881% (0.49 1.0 0.51 0.18) = 6.688% kept HA ILE 48 - HA LYS+ 60 8.333% * 0.3568% (0.67 1.0 0.02 0.02) = 0.357% HB2 HIS+ 4 - HA LYS+ 60 8.333% * 0.3531% (0.66 1.0 0.02 0.02) = 0.353% HD2 PRO 52 - HA LYS+ 60 8.333% * 0.1352% (0.25 1.0 0.02 0.02) = 0.135% HA LYS+ 81 - HA LYS+ 60 8.333% * 0.0802% (0.15 1.0 0.02 0.02) = 0.080% HA SER 27 - HA LYS+ 60 8.333% * 0.0488% (0.09 1.0 0.02 0.02) = 0.049% HA LYS+ 81 - HA TRP 51 8.333% * 0.0344% (0.06 1.0 0.02 0.02) = 0.034% HA SER 27 - HA TRP 51 8.333% * 0.0209% (0.04 1.0 0.02 0.02) = 0.021% Peak 1090 (3.28, 4.35, 56.42 ppm): 8 chemical-shift based assignments, quality = 0.0861, support = 1.03, residual support = 1.89: T HA ASN 89 - HA LYS+ 60 12.500% * 50.7707% (0.10 10.00 0.51 0.18) = 50.771% kept T HA ASN 89 - HA TRP 51 12.500% * 41.8488% (0.02 10.00 1.83 4.28) = 41.849% kept HE3 LYS+ 63 - HA LYS+ 60 12.500% * 4.9225% (0.48 1.00 0.11 0.18) = 4.922% kept HD3 ARG+ 53 - HA LYS+ 60 12.500% * 0.9286% (0.48 1.00 0.02 0.02) = 0.929% HA LEU 23 - HA LYS+ 60 12.500% * 0.8981% (0.47 1.00 0.02 0.27) = 0.898% HD3 ARG+ 53 - HA TRP 51 12.500% * 0.2132% (0.11 1.00 0.02 0.02) = 0.213% HE3 LYS+ 63 - HA TRP 51 12.500% * 0.2118% (0.11 1.00 0.02 0.02) = 0.212% HA LEU 23 - HA TRP 51 12.500% * 0.2062% (0.11 1.00 0.02 22.08) = 0.206% Not enough quality. Peak unassigned. Peak 1091 (2.88, 4.24, 56.44 ppm): 6 chemical-shift based assignments, quality = 0.528, support = 0.95, residual support = 1.84: HA1 GLY 58 - HA HIS+ 4 16.667% * 56.1002% (0.60 0.98 2.52) = 56.100% kept HA1 GLY 58 - HA GLU- 18 16.667% * 20.0144% (0.65 0.32 0.02) = 20.014% kept HA1 GLY 58 - HA LYS+ 44 16.667% * 12.0934% (0.05 2.57 3.29) = 12.093% kept HB2 HIS+ 98 - HA GLU- 18 16.667% * 10.8327% (0.50 0.23 0.26) = 10.833% kept HB2 HIS+ 98 - HA HIS+ 4 16.667% * 0.8867% (0.47 0.02 0.02) = 0.887% HB2 HIS+ 98 - HA LYS+ 44 16.667% * 0.0727% (0.04 0.02 0.02) = 0.073% Peak 1092 (2.48, 4.25, 56.44 ppm): 8 chemical-shift based assignments, quality = 0.797, support = 0.813, residual support = 0.878: HB VAL 40 - HA HIS+ 4 12.500% * 35.0124% (0.94 0.86 0.02) = 35.012% kept HA1 GLY 58 - HA HIS+ 4 12.500% * 34.3395% (0.81 0.98 2.52) = 34.340% kept HB VAL 40 - HA GLU- 18 12.500% * 20.8828% (0.67 0.72 0.02) = 20.883% kept HA1 GLY 58 - HA GLU- 18 12.500% * 8.1101% (0.58 0.32 0.02) = 8.110% kept HG3 PRO 35 - HA HIS+ 4 12.500% * 0.5653% (0.65 0.02 0.02) = 0.565% HG3 PRO 35 - HA GLU- 18 12.500% * 0.4034% (0.47 0.02 0.02) = 0.403% HB3 LYS+ 81 - HA HIS+ 4 12.500% * 0.4006% (0.46 0.02 0.02) = 0.401% HB3 LYS+ 81 - HA GLU- 18 12.500% * 0.2859% (0.33 0.02 0.02) = 0.286% Peak 1093 (1.79, 4.29, 56.51 ppm): 15 chemical-shift based assignments, quality = 0.0998, support = 0.37, residual support = 0.789: HB3 GLU- 18 - HA HIS+ 4 6.667% * 30.0059% (0.07 0.64 1.50) = 30.006% kept HB3 PRO 116 - HA HIS+ 4 6.667% * 29.6545% (0.13 0.31 0.96) = 29.655% kept HB3 ARG+ 53 - HA HIS+ 4 6.667% * 19.8125% (0.07 0.42 0.26) = 19.812% kept HB3 HIS+ 7 - HA HIS+ 4 6.667% * 2.2906% (0.16 0.02 0.02) = 2.291% kept HB2 LYS+ 117 - HA HIS+ 4 6.667% * 2.2855% (0.16 0.02 0.02) = 2.285% kept HB3 LYS+ 113 - HA HIS+ 4 6.667% * 2.2855% (0.16 0.02 0.02) = 2.285% kept HB3 LYS+ 108 - HA HIS+ 4 6.667% * 2.2703% (0.16 0.02 0.02) = 2.270% kept HB3 LYS+ 117 - HA HIS+ 4 6.667% * 2.2452% (0.16 0.02 0.02) = 2.245% kept HB3 LYS+ 63 - HA HIS+ 4 6.667% * 2.2106% (0.15 0.02 0.02) = 2.211% kept HB3 LYS+ 44 - HA HIS+ 4 6.667% * 2.1145% (0.15 0.02 0.02) = 2.114% kept HG2 PRO 31 - HA HIS+ 4 6.667% * 1.9869% (0.14 0.02 0.02) = 1.987% kept HB2 GLU- 109 - HA HIS+ 4 6.667% * 1.1149% (0.08 0.02 0.02) = 1.115% kept HD3 LYS+ 72 - HA HIS+ 4 6.667% * 0.8597% (0.06 0.02 0.02) = 0.860% HD3 LYS+ 117 - HA HIS+ 4 6.667% * 0.5100% (0.04 0.02 0.02) = 0.510% HB VAL 73 - HA HIS+ 4 6.667% * 0.3534% (0.02 0.02 0.02) = 0.353% Not enough quality. Peak unassigned. Peak 1094 (1.18, 3.94, 56.30 ppm): 6 chemical-shift based assignments, quality = 0.12, support = 1.57, residual support = 1.64: T HB ILE 68 - HA LYS+ 44 16.667% * 59.2199% (0.11 10.00 0.98 0.72) = 59.220% kept HG LEU 74 - HA LYS+ 44 16.667% * 25.7869% (0.14 1.00 3.51 3.69) = 25.787% kept T QG2 THR 106 - HA LYS+ 44 16.667% * 7.6597% (0.12 10.00 0.12 0.02) = 7.660% kept HB2 LEU 74 - HA LYS+ 44 16.667% * 7.1081% (0.13 1.00 0.99 3.69) = 7.108% kept HB3 LYS+ 66 - HA LYS+ 44 16.667% * 0.1458% (0.13 1.00 0.02 0.02) = 0.146% HG3 PRO 59 - HA LYS+ 44 16.667% * 0.0795% (0.07 1.00 0.02 0.02) = 0.080% Not enough quality. Peak unassigned. Peak 1095 (0.87, 4.34, 56.53 ppm): 14 chemical-shift based assignments, quality = 0.162, support = 0.137, residual support = 0.0601: HG LEU 74 - HA LYS+ 60 7.143% * 39.6336% (0.12 0.28 0.12) = 39.634% kept QG2 VAL 47 - HA LYS+ 60 7.143% * 19.2186% (0.20 0.09 0.02) = 19.219% kept QG2 VAL 122 - HA LYS+ 60 7.143% * 5.8221% (0.25 0.02 0.02) = 5.822% kept QG2 ILE 100 - HA LYS+ 60 7.143% * 5.4225% (0.24 0.02 0.02) = 5.422% kept QD1 LEU 90 - HA LYS+ 60 7.143% * 5.2681% (0.23 0.02 0.02) = 5.268% kept QG1 VAL 40 - HA LYS+ 60 7.143% * 4.9065% (0.21 0.02 0.02) = 4.906% kept QG2 VAL 125 - HA LYS+ 60 7.143% * 4.7036% (0.21 0.02 0.02) = 4.704% kept QG1 VAL 122 - HA LYS+ 60 7.143% * 3.5628% (0.16 0.02 0.02) = 3.563% kept HB ILE 101 - HA LYS+ 60 7.143% * 3.0905% (0.13 0.02 0.02) = 3.090% kept QG1 VAL 80 - HA LYS+ 60 7.143% * 2.6335% (0.11 0.02 0.02) = 2.634% kept HG3 LYS+ 117 - HA LYS+ 60 7.143% * 2.2046% (0.10 0.02 0.02) = 2.205% kept HG2 LYS+ 117 - HA LYS+ 60 7.143% * 1.4647% (0.06 0.02 0.02) = 1.465% kept QG2 VAL 13 - HA LYS+ 60 7.143% * 1.1625% (0.05 0.02 0.02) = 1.162% kept QG2 VAL 105 - HA LYS+ 60 7.143% * 0.9063% (0.04 0.02 0.02) = 0.906% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 1096 (0.73, 4.25, 56.49 ppm): 18 chemical-shift based assignments, quality = 0.51, support = 0.517, residual support = 0.446: HG LEU 74 - HA GLU- 18 5.556% * 29.4254% (0.12 1.48 1.47) = 29.425% kept QG2 VAL 40 - HA HIS+ 4 5.556% * 22.6291% (0.74 0.19 0.02) = 22.629% kept QG2 VAL 40 - HA GLU- 18 5.556% * 16.9048% (0.63 0.17 0.02) = 16.905% kept QD1 ILE 68 - HA GLU- 18 5.556% * 8.8201% (0.72 0.08 0.02) = 8.820% kept QD2 LEU 9 - HA HIS+ 4 5.556% * 2.6941% (0.84 0.02 0.02) = 2.694% kept QD1 ILE 68 - HA HIS+ 4 5.556% * 2.6941% (0.84 0.02 0.02) = 2.694% kept QD1 LEU 9 - HA HIS+ 4 5.556% * 2.6643% (0.83 0.02 0.02) = 2.664% kept HG3 LYS+ 66 - HA HIS+ 4 5.556% * 2.4377% (0.76 0.02 0.02) = 2.438% kept QD2 LEU 9 - HA GLU- 18 5.556% * 2.2957% (0.72 0.02 0.02) = 2.296% kept QD1 LEU 9 - HA GLU- 18 5.556% * 2.2704% (0.71 0.02 0.02) = 2.270% kept HG3 LYS+ 66 - HA GLU- 18 5.556% * 2.0773% (0.65 0.02 0.02) = 2.077% kept QG2 ILE 48 - HA HIS+ 4 5.556% * 1.1174% (0.35 0.02 0.02) = 1.117% kept QG2 ILE 48 - HA GLU- 18 5.556% * 0.9522% (0.30 0.02 0.02) = 0.952% QG2 ILE 101 - HA HIS+ 4 5.556% * 0.8389% (0.26 0.02 0.02) = 0.839% QG2 ILE 101 - HA GLU- 18 5.556% * 0.7149% (0.22 0.02 0.02) = 0.715% HG3 LYS+ 44 - HA HIS+ 4 5.556% * 0.5379% (0.17 0.02 0.02) = 0.538% HG LEU 74 - HA HIS+ 4 5.556% * 0.4674% (0.15 0.02 0.02) = 0.467% HG3 LYS+ 44 - HA GLU- 18 5.556% * 0.4584% (0.14 0.02 0.02) = 0.458% Peak 1097 (0.73, 3.93, 56.31 ppm): 9 chemical-shift based assignments, quality = 0.0278, support = 2.77, residual support = 10.0: O HG3 LYS+ 44 - HA LYS+ 44 11.111% * 83.1619% (0.03 10.0 2.73 11.43) = 83.162% kept HG LEU 74 - HA LYS+ 44 11.111% * 14.2196% (0.03 1.0 3.51 3.69) = 14.220% kept QD1 ILE 68 - HA LYS+ 44 11.111% * 0.4738% (0.16 1.0 0.02 0.72) = 0.474% QD2 LEU 9 - HA LYS+ 44 11.111% * 0.4738% (0.16 1.0 0.02 0.02) = 0.474% QD1 LEU 9 - HA LYS+ 44 11.111% * 0.4583% (0.16 1.0 0.02 0.02) = 0.458% QG2 VAL 40 - HA LYS+ 44 11.111% * 0.4259% (0.15 1.0 0.02 0.02) = 0.426% HG3 LYS+ 66 - HA LYS+ 44 11.111% * 0.4119% (0.14 1.0 0.02 0.02) = 0.412% QG2 ILE 48 - HA LYS+ 44 11.111% * 0.2129% (0.07 1.0 0.02 0.02) = 0.213% QG2 ILE 101 - HA LYS+ 44 11.111% * 0.1620% (0.06 1.0 0.02 0.02) = 0.162% Peak 1101 (1.85, 4.36, 56.28 ppm): 8 chemical-shift based assignments, quality = 0.507, support = 1.02, residual support = 2.97: T HB2 LYS+ 66 - HA LYS+ 60 12.500% * 66.2428% (0.53 10.00 1.16 1.98) = 66.243% kept T HB3 LYS+ 72 - HA LYS+ 60 12.500% * 16.6296% (0.53 10.00 0.29 0.02) = 16.630% kept HB3 PRO 59 - HA LYS+ 60 12.500% * 7.5771% (0.47 1.00 1.51 12.33) = 7.577% kept HB2 PRO 59 - HA LYS+ 60 12.500% * 5.8029% (0.36 1.00 1.49 12.33) = 5.803% kept T HB VAL 73 - HA LYS+ 60 12.500% * 2.1879% (0.17 10.00 0.12 0.02) = 2.188% kept T HB2 PRO 104 - HA LYS+ 60 12.500% * 1.1099% (0.52 10.00 0.02 0.02) = 1.110% kept HG3 PRO 112 - HA LYS+ 60 12.500% * 0.4230% (0.47 1.00 0.08 0.02) = 0.423% HD3 LYS+ 117 - HA LYS+ 60 12.500% * 0.0268% (0.13 1.00 0.02 0.02) = 0.027% Peak 1106 (8.97, 0.69, 14.34 ppm): 5 chemical-shift based assignments, quality = 0.417, support = 2.24, residual support = 3.68: HN MET 97 - QD1 ILE 19 20.000% * 50.4228% (0.48 2.62 5.55) = 50.423% kept HN LEU 17 - QD1 ILE 19 20.000% * 27.6612% (0.55 1.24 0.67) = 27.661% kept HN THR 96 - QD1 ILE 19 20.000% * 15.4362% (0.11 3.38 4.44) = 15.436% kept HN PHE 21 - QD1 ILE 19 20.000% * 3.6788% (0.08 1.18 0.24) = 3.679% kept HN ARG+ 22 - QD1 ILE 19 20.000% * 2.8010% (0.14 0.49 0.02) = 2.801% kept Peak 1107 (8.86, 0.73, 14.31 ppm): 2 chemical-shift based assignments, quality = 0.853, support = 4.95, residual support = 33.0: HN ILE 68 - QD1 ILE 68 50.000% * 98.7220% (0.86 5.01 33.44) = 98.722% kept HN ASP- 36 - QD1 ILE 68 50.000% * 1.2780% (0.39 0.14 0.02) = 1.278% kept Peak 1108 (7.34, 0.69, 14.34 ppm): 7 chemical-shift based assignments, quality = 0.472, support = 4.57, residual support = 25.5: QE PHE 34 - QD1 ILE 19 14.286% * 45.3343% (0.54 5.01 25.55) = 45.334% kept QD PHE 34 - QD1 ILE 19 14.286% * 29.1714% (0.32 5.49 25.55) = 29.171% kept HZ PHE 34 - QD1 ILE 19 14.286% * 25.1050% (0.54 2.77 25.55) = 25.105% kept HZ2 TRP 51 - QD1 ILE 19 14.286% * 0.1810% (0.54 0.02 0.02) = 0.181% HN VAL 47 - QD1 ILE 19 14.286% * 0.0913% (0.27 0.02 0.02) = 0.091% HN ARG+ 84 - QD1 ILE 19 14.286% * 0.0841% (0.25 0.02 0.02) = 0.084% HE22 GLN 102 - QD1 ILE 19 14.286% * 0.0329% (0.10 0.02 0.02) = 0.033% Peak 1110 (4.99, 0.73, 14.26 ppm): 2 chemical-shift based assignments, quality = 0.695, support = 3.83, residual support = 30.0: HA ILE 68 - QD1 ILE 68 50.000% * 89.7623% (0.74 4.15 33.44) = 89.762% kept HA PHE 34 - QD1 ILE 68 50.000% * 10.2377% (0.33 1.06 0.02) = 10.238% kept Peak 1111 (4.88, 0.69, 14.32 ppm): 8 chemical-shift based assignments, quality = 0.503, support = 3.29, residual support = 18.0: HA ILE 19 - QD1 ILE 19 12.500% * 63.7240% (0.59 4.38 26.98) = 63.724% kept HA THR 95 - QD1 ILE 19 12.500% * 14.4345% (0.40 1.48 1.95) = 14.435% kept HA SER 69 - QD1 ILE 19 12.500% * 9.3708% (0.61 0.63 0.13) = 9.371% kept HA ASN 89 - QD1 ILE 19 12.500% * 6.1728% (0.11 2.36 3.37) = 6.173% kept HA SER 69 - QD1 ILE 68 12.500% * 3.6484% (0.12 1.20 4.08) = 3.648% kept HA ILE 19 - QD1 ILE 68 12.500% * 1.3614% (0.12 0.46 5.21) = 1.361% kept HA ASN 89 - QD1 ILE 68 12.500% * 1.2483% (0.02 2.34 4.23) = 1.248% kept HA THR 95 - QD1 ILE 68 12.500% * 0.0398% (0.08 0.02 0.02) = 0.040% Peak 1112 (4.18, 0.73, 14.30 ppm): 6 chemical-shift based assignments, quality = 0.812, support = 2.07, residual support = 3.75: HA ASN 89 - QD1 ILE 68 16.667% * 87.9587% (0.85 1.00 2.34 4.23) = 87.959% kept HA MET 126 - QD1 ILE 68 16.667% * 7.5417% (0.71 1.00 0.24 0.02) = 7.542% kept T HA LYS+ 44 - QD1 ILE 68 16.667% * 2.5612% (0.29 10.00 0.02 0.72) = 2.561% kept T HA VAL 73 - QD1 ILE 68 16.667% * 1.3095% (0.15 10.00 0.02 0.58) = 1.310% kept HA GLU- 64 - QD1 ILE 68 16.667% * 0.4114% (0.47 1.00 0.02 0.02) = 0.411% HA ASP- 82 - QD1 ILE 68 16.667% * 0.2174% (0.25 1.00 0.02 0.02) = 0.217% Peak 1113 (2.88, 0.73, 14.31 ppm): 2 chemical-shift based assignments, quality = 0.498, support = 0.581, residual support = 1.0: T HB2 HIS+ 98 - QD1 ILE 68 50.000% * 56.6260% (0.39 10.00 0.76 1.76) = 56.626% kept T HA1 GLY 58 - QD1 ILE 68 50.000% * 43.3740% (0.64 10.00 0.35 0.02) = 43.374% kept Peak 1114 (1.67, 0.69, 14.35 ppm): 7 chemical-shift based assignments, quality = 0.4, support = 0.797, residual support = 2.28: T HD3 LYS+ 55 - QD1 ILE 19 14.286% * 88.5516% (0.42 10.00 0.75 2.03) = 88.552% kept HB3 MET 97 - QD1 ILE 19 14.286% * 8.7525% (0.21 1.00 1.51 5.55) = 8.752% kept T HB2 HIS+ 8 - QD1 ILE 19 14.286% * 1.8741% (0.34 10.00 0.02 0.02) = 1.874% kept HB3 MET 126 - QD1 ILE 19 14.286% * 0.3029% (0.54 1.00 0.02 0.02) = 0.303% HB VAL 99 - QD1 ILE 19 14.286% * 0.2361% (0.42 1.00 0.02 0.02) = 0.236% HG3 ARG+ 84 - QD1 ILE 19 14.286% * 0.1874% (0.34 1.00 0.02 0.02) = 0.187% HB3 ARG+ 22 - QD1 ILE 19 14.286% * 0.0954% (0.17 1.00 0.02 0.02) = 0.095% Peak 1118 (0.91, 0.73, 14.31 ppm): 14 chemical-shift based assignments, quality = 0.709, support = 4.26, residual support = 28.8: O HG13 ILE 68 - QD1 ILE 68 7.143% * 78.5465% (0.73 10.0 4.76 33.44) = 78.547% kept QD1 LEU 67 - QD1 ILE 68 7.143% * 10.0098% (0.67 1.0 2.79 20.60) = 10.010% kept HG LEU 74 - QD1 ILE 68 7.143% * 7.7650% (0.53 1.0 2.76 5.42) = 7.765% kept QG2 VAL 99 - QD1 ILE 68 7.143% * 3.2473% (0.79 1.0 0.77 0.30) = 3.247% kept QG2 VAL 73 - QD1 ILE 68 7.143% * 0.0868% (0.81 1.0 0.02 0.58) = 0.087% QG2 VAL 87 - QD1 ILE 68 7.143% * 0.0753% (0.70 1.0 0.02 0.02) = 0.075% QG1 VAL 47 - QD1 ILE 68 7.143% * 0.0646% (0.60 1.0 0.02 0.02) = 0.065% QG2 VAL 105 - QD1 ILE 68 7.143% * 0.0608% (0.57 1.0 0.02 0.02) = 0.061% QD1 LEU 17 - QD1 ILE 68 7.143% * 0.0387% (0.36 1.0 0.02 0.02) = 0.039% QG1 VAL 105 - QD1 ILE 68 7.143% * 0.0353% (0.33 1.0 0.02 0.02) = 0.035% QG1 VAL 80 - QD1 ILE 68 7.143% * 0.0261% (0.24 1.0 0.02 0.02) = 0.026% QG1 VAL 122 - QD1 ILE 68 7.143% * 0.0165% (0.15 1.0 0.02 0.25) = 0.016% HG12 ILE 29 - QD1 ILE 68 7.143% * 0.0145% (0.14 1.0 0.02 0.02) = 0.015% QG2 VAL 62 - QD1 ILE 68 7.143% * 0.0127% (0.12 1.0 0.02 0.02) = 0.013% 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 = 4.31, residual support = 27.0: QG2 ILE 19 - QD1 ILE 19 100.000% *100.0000% (0.39 4.31 26.98) = 100.000% kept Peak 1126 (8.78, 0.39, 14.01 ppm): 4 chemical-shift based assignments, quality = 0.403, support = 1.3, residual support = 4.52: HN SER 69 - QD1 ILE 48 25.000% * 41.3825% (0.67 0.63 0.91) = 41.382% kept HN VAL 62 - QD1 ILE 48 25.000% * 39.3002% (0.17 2.33 10.27) = 39.300% kept HN PHE 34 - QD1 ILE 48 25.000% * 17.9692% (0.28 0.65 0.56) = 17.969% kept HN THR 95 - QD1 ILE 48 25.000% * 1.3481% (0.69 0.02 0.02) = 1.348% kept Peak 1127 (8.44, 4.27, 55.48 ppm): 9 chemical-shift based assignments, quality = 0.269, support = 1.1, residual support = 0.393: HN GLY 92 - HA LEU 90 11.111% * 36.7535% (0.12 2.22 0.63) = 36.753% kept HN GLU- 75 - HA LEU 90 11.111% * 34.9287% (0.37 0.68 0.45) = 34.929% kept HN LYS+ 113 - HA LEU 90 11.111% * 11.3475% (0.30 0.27 0.02) = 11.348% kept HN LEU 74 - HA LEU 90 11.111% * 8.3784% (0.49 0.12 0.02) = 8.378% kept HN HIS+ 14 - HA LEU 90 11.111% * 5.2684% (0.24 0.16 0.02) = 5.268% kept HN ARG+ 53 - HA LEU 90 11.111% * 1.0797% (0.39 0.02 0.02) = 1.080% kept HN CYS 123 - HA LEU 90 11.111% * 1.0213% (0.37 0.02 0.02) = 1.021% kept HN GLU- 107 - HA LEU 90 11.111% * 0.6113% (0.22 0.02 0.02) = 0.611% HN HIS+ 6 - HA LEU 90 11.111% * 0.6113% (0.22 0.02 0.02) = 0.611% Peak 1128 (8.29, 4.29, 55.60 ppm): 8 chemical-shift based assignments, quality = 0.329, support = 2.82, residual support = 9.17: O HN ALA 91 - HA LEU 90 12.500% * 91.2954% (0.33 10.0 2.97 9.23) = 91.295% kept HN ASN 89 - HA LEU 90 12.500% * 5.7933% (0.25 1.0 1.70 12.86) = 5.793% kept HN ASP- 28 - HA LEU 90 12.500% * 2.6242% (0.37 1.0 0.52 0.10) = 2.624% kept HN LEU 9 - HA LEU 90 12.500% * 0.1016% (0.37 1.0 0.02 0.02) = 0.102% HN HIS+ 8 - HA LEU 90 12.500% * 0.0996% (0.36 1.0 0.02 0.02) = 0.100% HN VAL 99 - HA LEU 90 12.500% * 0.0359% (0.13 1.0 0.02 0.02) = 0.036% HN HIS+ 7 - HA LEU 90 12.500% * 0.0293% (0.11 1.0 0.02 0.02) = 0.029% HN GLN 16 - HA LEU 90 12.500% * 0.0208% (0.08 1.0 0.02 0.02) = 0.021% Peak 1129 (7.41, 0.40, 14.05 ppm): 2 chemical-shift based assignments, quality = 0.456, support = 1.8, residual support = 2.71: HN THR 61 - QD1 ILE 48 50.000% * 56.8178% (0.26 2.63 4.36) = 56.818% kept HN GLU- 64 - QD1 ILE 48 50.000% * 43.1822% (0.72 0.71 0.53) = 43.182% kept Peak 1130 (7.31, 0.39, 14.04 ppm): 7 chemical-shift based assignments, quality = 0.556, support = 3.63, residual support = 54.3: HN ILE 48 - QD1 ILE 48 14.286% * 46.0466% (0.53 5.56 110.84) = 46.047% kept HN VAL 47 - QD1 ILE 48 14.286% * 26.0774% (0.62 2.70 12.14) = 26.077% kept QD PHE 34 - QD1 ILE 48 14.286% * 15.3156% (0.56 1.75 0.56) = 15.316% kept HN ARG+ 84 - QD1 ILE 48 14.286% * 8.3939% (0.65 0.83 0.31) = 8.394% kept HZ PHE 34 - QD1 ILE 48 14.286% * 2.3393% (0.22 0.70 0.56) = 2.339% kept QE PHE 34 - QD1 ILE 48 14.286% * 1.7600% (0.22 0.52 0.56) = 1.760% kept HZ2 TRP 51 - QD1 ILE 48 14.286% * 0.0671% (0.22 0.02 1.20) = 0.067% 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): 7 chemical-shift based assignments, quality = 0.507, support = 1.05, residual support = 1.57: HA2 GLY 30 - QD1 ILE 48 14.286% * 51.3610% (0.73 0.85 0.15) = 51.361% kept HA THR 61 - QD1 ILE 48 14.286% * 33.9896% (0.24 1.72 4.36) = 33.990% kept HA ASN 89 - QD1 ILE 48 14.286% * 7.0852% (0.26 0.33 0.02) = 7.085% kept HA PRO 31 - QD1 ILE 48 14.286% * 6.6181% (0.53 0.15 0.23) = 6.618% kept HA GLN 16 - QD1 ILE 48 14.286% * 0.4368% (0.26 0.02 0.02) = 0.437% HA ASN 119 - QD1 ILE 48 14.286% * 0.2851% (0.17 0.02 0.02) = 0.285% HA HIS+ 7 - QD1 ILE 48 14.286% * 0.2243% (0.13 0.02 0.02) = 0.224% Peak 1145 (3.87, 0.39, 14.06 ppm): 11 chemical-shift based assignments, quality = 0.356, support = 3.35, residual support = 103.6: T HA ILE 48 - QD1 ILE 48 9.091% * 93.4539% (0.34 10.00 3.58 110.84) = 93.454% kept HA ASN 89 - QD1 ILE 48 9.091% * 3.4013% (0.74 1.00 0.33 0.02) = 3.401% kept T HB3 SER 88 - QD1 ILE 48 9.091% * 1.9403% (0.70 10.00 0.02 0.02) = 1.940% kept HB2 SER 85 - QD1 ILE 48 9.091% * 0.2192% (0.80 1.00 0.02 0.02) = 0.219% HA VAL 87 - QD1 ILE 48 9.091% * 0.2116% (0.77 1.00 0.02 0.02) = 0.212% HA VAL 125 - QD1 ILE 48 9.091% * 0.1791% (0.65 1.00 0.02 0.02) = 0.179% HD2 PRO 116 - QD1 ILE 48 9.091% * 0.1624% (0.59 1.00 0.02 0.02) = 0.162% HA LYS+ 44 - QD1 ILE 48 9.091% * 0.1488% (0.54 1.00 0.02 0.02) = 0.149% HD2 PRO 86 - QD1 ILE 48 9.091% * 0.1447% (0.53 1.00 0.02 0.02) = 0.145% HD3 PRO 86 - QD1 ILE 48 9.091% * 0.1003% (0.36 1.00 0.02 0.02) = 0.100% HB3 SER 77 - QD1 ILE 48 9.091% * 0.0383% (0.14 1.00 0.02 0.02) = 0.038% Peak 1146 (3.44, 0.39, 14.04 ppm): 9 chemical-shift based assignments, quality = 0.66, support = 3.45, residual support = 25.9: T HA VAL 62 - QD1 ILE 48 11.111% * 81.6452% (0.76 10.00 3.52 10.27) = 81.645% kept T HA ILE 48 - QD1 ILE 48 11.111% * 15.7933% (0.15 10.00 3.58 110.84) = 15.793% kept HB2 SER 69 - QD1 ILE 48 11.111% * 1.8375% (0.67 1.00 0.51 0.91) = 1.837% kept HA ASN 89 - QD1 ILE 48 11.111% * 0.5129% (0.29 1.00 0.33 0.02) = 0.513% HB THR 79 - QD1 ILE 48 11.111% * 0.0739% (0.69 1.00 0.02 0.02) = 0.074% HA THR 39 - QD1 ILE 48 11.111% * 0.0566% (0.53 1.00 0.02 0.02) = 0.057% HA VAL 80 - QD1 ILE 48 11.111% * 0.0500% (0.47 1.00 0.02 0.02) = 0.050% HA1 GLY 71 - QD1 ILE 48 11.111% * 0.0163% (0.15 1.00 0.02 0.02) = 0.016% HD3 PRO 31 - QD1 ILE 48 11.111% * 0.0144% (0.14 1.00 0.02 0.23) = 0.014% Peak 1147 (2.45, 4.23, 55.31 ppm): 4 chemical-shift based assignments, quality = 0.137, support = 0.567, residual support = 0.02: T HG2 GLU- 45 - HA ALA 42 25.000% * 79.2284% (0.12 10.00 0.61 0.02) = 79.228% kept HB VAL 40 - HA ALA 42 25.000% * 10.8392% (0.13 1.00 0.75 0.02) = 10.839% kept T HG3 GLU- 45 - HA ALA 42 25.000% * 5.8238% (0.27 10.00 0.02 0.02) = 5.824% kept HA1 GLY 58 - HA ALA 42 25.000% * 4.1087% (0.31 1.00 0.12 0.02) = 4.109% kept Not enough quality. Peak unassigned. Peak 1148 (2.22, 4.23, 55.31 ppm): 15 chemical-shift based assignments, quality = 0.255, support = 0.0389, residual support = 0.02: HA1 GLY 58 - HA ALA 42 6.667% * 19.0159% (0.13 0.12 0.02) = 19.016% kept HG3 MET 118 - HA ALA 42 6.667% * 8.6312% (0.35 0.02 0.02) = 8.631% kept HB3 PRO 52 - HA ALA 42 6.667% * 8.4603% (0.35 0.02 0.02) = 8.460% kept HG3 GLU- 18 - HA ALA 42 6.667% * 8.3297% (0.34 0.02 0.02) = 8.330% kept HG3 GLU- 107 - HA ALA 42 6.667% * 8.1647% (0.34 0.02 0.02) = 8.165% kept HB2 GLU- 50 - HA ALA 42 6.667% * 7.9676% (0.33 0.02 0.02) = 7.968% kept HG3 GLU- 75 - HA ALA 42 6.667% * 7.2094% (0.30 0.02 0.02) = 7.209% kept HG3 GLU- 109 - HA ALA 42 6.667% * 7.2094% (0.30 0.02 0.02) = 7.209% kept HG3 MET 126 - HA ALA 42 6.667% * 6.5962% (0.27 0.02 0.02) = 6.596% kept HG3 GLU- 10 - HA ALA 42 6.667% * 4.8866% (0.20 0.02 0.02) = 4.887% kept HG2 GLU- 56 - HA ALA 42 6.667% * 4.5411% (0.19 0.02 0.02) = 4.541% kept HG3 GLU- 54 - HA ALA 42 6.667% * 3.5484% (0.15 0.02 0.02) = 3.548% kept HB2 LYS+ 113 - HA ALA 42 6.667% * 2.3998% (0.10 0.02 0.02) = 2.400% kept HB VAL 80 - HA ALA 42 6.667% * 1.7081% (0.07 0.02 0.02) = 1.708% kept HG2 MET 126 - HA ALA 42 6.667% * 1.3317% (0.05 0.02 0.02) = 1.332% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 1149 (2.05, 0.39, 14.06 ppm): 14 chemical-shift based assignments, quality = 0.687, support = 1.73, residual support = 8.43: HB VAL 62 - QD1 ILE 48 7.143% * 81.8544% (0.78 2.03 10.27) = 81.854% kept HB3 PRO 31 - QD1 ILE 48 7.143% * 8.2646% (0.23 0.71 0.23) = 8.265% kept HB3 GLU- 75 - QD1 ILE 48 7.143% * 4.8501% (0.56 0.17 0.02) = 4.850% kept HB3 GLU- 10 - QD1 ILE 48 7.143% * 0.8341% (0.81 0.02 0.02) = 0.834% HB2 GLU- 45 - QD1 ILE 48 7.143% * 0.8194% (0.80 0.02 0.02) = 0.819% HG3 PRO 86 - QD1 ILE 48 7.143% * 0.8067% (0.78 0.02 0.02) = 0.807% HB3 LYS+ 110 - QD1 ILE 48 7.143% * 0.6694% (0.65 0.02 0.02) = 0.669% HB3 GLU- 107 - QD1 ILE 48 7.143% * 0.5408% (0.53 0.02 0.02) = 0.541% HB3 GLU- 45 - QD1 ILE 48 7.143% * 0.4069% (0.40 0.02 0.02) = 0.407% HG3 ARG+ 53 - QD1 ILE 48 7.143% * 0.3137% (0.30 0.02 0.02) = 0.314% HB2 LYS+ 44 - QD1 ILE 48 7.143% * 0.2324% (0.23 0.02 0.02) = 0.232% HB2 PRO 112 - QD1 ILE 48 7.143% * 0.1654% (0.16 0.02 0.02) = 0.165% HB3 PRO 112 - QD1 ILE 48 7.143% * 0.1290% (0.13 0.02 0.02) = 0.129% HG2 PRO 116 - QD1 ILE 48 7.143% * 0.1131% (0.11 0.02 0.02) = 0.113% Peak 1150 (1.96, 4.28, 55.61 ppm): 11 chemical-shift based assignments, quality = 0.216, support = 0.333, residual support = 0.233: HB2 GLU- 75 - HA LEU 90 9.091% * 38.8681% (0.17 0.62 0.45) = 38.868% kept HG3 PRO 116 - HA LEU 90 9.091% * 22.4734% (0.29 0.21 0.18) = 22.473% kept HB VAL 13 - HA LEU 90 9.091% * 14.5016% (0.29 0.13 0.02) = 14.502% kept HG3 PRO 104 - HA LEU 90 9.091% * 8.8528% (0.18 0.13 0.02) = 8.853% kept HB2 PRO 116 - HA LEU 90 9.091% * 6.3042% (0.08 0.21 0.18) = 6.304% kept HB VAL 122 - HA LEU 90 9.091% * 2.2063% (0.29 0.02 0.02) = 2.206% kept HB3 GLU- 109 - HA LEU 90 9.091% * 2.1916% (0.29 0.02 0.02) = 2.192% kept HG3 PRO 31 - HA LEU 90 9.091% * 1.7706% (0.24 0.02 0.02) = 1.771% kept HB3 LYS+ 55 - HA LEU 90 9.091% * 1.6898% (0.23 0.02 0.02) = 1.690% kept HG2 PRO 112 - HA LEU 90 9.091% * 0.7543% (0.10 0.02 0.02) = 0.754% HB2 LYS+ 108 - HA LEU 90 9.091% * 0.3872% (0.05 0.02 0.02) = 0.387% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 1151 (1.74, 0.39, 14.04 ppm): 6 chemical-shift based assignments, quality = 0.417, support = 5.86, residual support = 107.0: O HB ILE 48 - QD1 ILE 48 16.667% * 96.5377% (0.41 10.0 6.06 110.84) = 96.538% kept HB3 GLU- 50 - QD1 ILE 48 16.667% * 3.1593% (0.73 1.0 0.36 0.33) = 3.159% kept HB VAL 94 - QD1 ILE 48 16.667% * 0.0893% (0.38 1.0 0.02 0.02) = 0.089% HB2 HIS+ 7 - QD1 ILE 48 16.667% * 0.0823% (0.35 1.0 0.02 0.02) = 0.082% HB2 ARG+ 84 - QD1 ILE 48 16.667% * 0.0689% (0.29 1.0 0.02 0.31) = 0.069% HB2 GLN 16 - QD1 ILE 48 16.667% * 0.0626% (0.26 1.0 0.02 0.02) = 0.063% Peak 1152 (1.59, 4.29, 55.42 ppm): 9 chemical-shift based assignments, quality = 0.424, support = 1.25, residual support = 2.6: T HG LEU 17 - HA LEU 90 11.111% * 83.2502% (0.42 10.00 1.27 2.76) = 83.250% kept HB3 LEU 17 - HA LEU 90 11.111% * 10.9701% (0.46 1.00 1.55 2.76) = 10.970% kept HD3 LYS+ 32 - HA LEU 90 11.111% * 2.9571% (0.56 1.00 0.34 0.02) = 2.957% kept HG3 LYS+ 110 - HA LEU 90 11.111% * 2.0581% (0.32 1.00 0.41 0.02) = 2.058% kept HB3 LYS+ 32 - HA LEU 90 11.111% * 0.2684% (0.86 1.00 0.02 0.02) = 0.268% HG3 LYS+ 60 - HA LEU 90 11.111% * 0.1523% (0.49 1.00 0.02 0.02) = 0.152% HB ILE 19 - HA LEU 90 11.111% * 0.1415% (0.46 1.00 0.02 0.02) = 0.142% HD3 LYS+ 60 - HA LEU 90 11.111% * 0.1106% (0.36 1.00 0.02 0.02) = 0.111% HG2 LYS+ 110 - HA LEU 90 11.111% * 0.0917% (0.30 1.00 0.02 0.02) = 0.092% Peak 1153 (1.47, 0.39, 14.05 ppm): 4 chemical-shift based assignments, quality = 0.699, support = 2.21, residual support = 6.38: HB3 LEU 67 - QD1 ILE 48 25.000% * 80.8354% (0.80 2.40 6.79) = 80.835% kept HG LEU 74 - QD1 ILE 48 25.000% * 15.5090% (0.22 1.68 5.70) = 15.509% kept QB ALA 70 - QD1 ILE 48 25.000% * 3.1084% (0.46 0.16 0.02) = 3.108% kept HG LEU 90 - QD1 ILE 48 25.000% * 0.5472% (0.14 0.09 0.02) = 0.547% Peak 1154 (1.14, 0.40, 14.02 ppm): 7 chemical-shift based assignments, quality = 0.64, support = 1.3, residual support = 3.45: HG LEU 74 - QD1 ILE 48 14.286% * 54.2386% (0.70 1.68 5.70) = 54.239% kept HG3 LYS+ 32 - QD1 ILE 48 14.286% * 27.6444% (0.58 1.02 1.22) = 27.644% kept QB ALA 33 - QD1 ILE 48 14.286% * 17.0606% (0.58 0.63 0.12) = 17.061% kept HD3 LYS+ 111 - QD1 ILE 48 14.286% * 0.4698% (0.51 0.02 0.02) = 0.470% HG3 PRO 59 - QD1 ILE 48 14.286% * 0.2660% (0.29 0.02 0.02) = 0.266% QG2 THR 96 - QD1 ILE 48 14.286% * 0.2207% (0.24 0.02 0.02) = 0.221% QG2 THR 106 - QD1 ILE 48 14.286% * 0.0998% (0.11 0.02 0.02) = 0.100% Peak 1155 (0.95, 0.40, 14.04 ppm): 8 chemical-shift based assignments, quality = 0.689, support = 2.22, residual support = 5.82: QG2 VAL 62 - QD1 ILE 48 12.500% * 36.1571% (0.69 3.55 10.27) = 36.157% kept HG12 ILE 29 - QD1 ILE 48 12.500% * 18.6599% (0.67 1.90 3.79) = 18.660% kept QG2 ILE 29 - QD1 ILE 48 12.500% * 15.9342% (0.74 1.47 3.79) = 15.934% kept HG LEU 74 - QD1 ILE 48 12.500% * 13.9495% (0.57 1.68 5.70) = 13.950% kept HG3 LYS+ 63 - QD1 ILE 48 12.500% * 9.8208% (0.78 0.85 0.02) = 9.821% kept HG12 ILE 68 - QD1 ILE 48 12.500% * 5.2409% (0.74 0.48 0.02) = 5.241% kept QG1 VAL 105 - QD1 ILE 48 12.500% * 0.1234% (0.42 0.02 0.02) = 0.123% QD1 LEU 17 - QD1 ILE 48 12.500% * 0.1142% (0.39 0.02 0.02) = 0.114% Peak 1157 (0.84, 4.28, 55.45 ppm): 15 chemical-shift based assignments, quality = 0.427, support = 1.33, residual support = 1.82: T HG2 LYS+ 117 - HA LEU 90 6.667% * 25.6771% (0.59 10.00 1.25 0.39) = 25.677% kept T QD2 LEU 17 - HA LEU 90 6.667% * 23.6416% (0.36 10.00 1.90 2.76) = 23.642% kept T QD2 LEU 90 - HA LEU 90 6.667% * 16.1884% (0.28 10.00 1.69 5.79) = 16.188% kept T HG3 LYS+ 117 - HA LEU 90 6.667% * 15.6433% (0.48 10.00 0.95 0.39) = 15.643% kept T QG1 VAL 94 - HA LEU 90 6.667% * 8.9838% (0.53 10.00 0.48 0.02) = 8.984% kept T HG LEU 74 - HA LEU 90 6.667% * 8.0934% (0.28 10.00 0.82 0.02) = 8.093% kept QD1 LEU 90 - HA LEU 90 6.667% * 1.0947% (0.13 1.00 2.45 5.79) = 1.095% kept QG2 VAL 13 - HA LEU 90 6.667% * 0.2740% (0.64 1.00 0.12 0.02) = 0.274% QD1 ILE 29 - HA LEU 90 6.667% * 0.2418% (0.73 1.00 0.10 0.02) = 0.242% QG1 VAL 13 - HA LEU 90 6.667% * 0.0484% (0.70 1.00 0.02 0.02) = 0.048% HG2 LYS+ 113 - HA LEU 90 6.667% * 0.0409% (0.59 1.00 0.02 0.02) = 0.041% HG3 LYS+ 113 - HA LEU 90 6.667% * 0.0310% (0.45 1.00 0.02 0.02) = 0.031% HB ILE 101 - HA LEU 90 6.667% * 0.0249% (0.36 1.00 0.02 0.02) = 0.025% QD2 LEU 67 - HA LEU 90 6.667% * 0.0090% (0.13 1.00 0.02 0.02) = 0.009% QG2 ILE 100 - HA LEU 90 6.667% * 0.0079% (0.11 1.00 0.02 0.02) = 0.008% Peak 1158 (0.71, 0.39, 14.05 ppm): 14 chemical-shift based assignments, quality = 0.712, support = 5.25, residual support = 91.7: QG2 ILE 48 - QD1 ILE 48 7.143% * 82.2172% (0.78 6.22 110.84) = 82.217% kept HG LEU 67 - QD1 ILE 48 7.143% * 6.3181% (0.48 0.77 6.79) = 6.318% kept QD1 ILE 68 - QD1 ILE 48 7.143% * 4.4181% (0.48 0.54 0.02) = 4.418% kept HG LEU 74 - QD1 ILE 48 7.143% * 3.3383% (0.12 1.68 5.70) = 3.338% kept HG3 LYS+ 66 - QD1 ILE 48 7.143% * 1.5303% (0.22 0.41 0.02) = 1.530% kept QG2 ILE 101 - QD1 ILE 48 7.143% * 1.1976% (0.74 0.10 0.02) = 1.198% kept QG2 VAL 40 - QD1 ILE 48 7.143% * 0.2253% (0.67 0.02 0.02) = 0.225% HG2 PRO 59 - QD1 ILE 48 7.143% * 0.1745% (0.52 0.02 0.02) = 0.175% HB2 LEU 9 - QD1 ILE 48 7.143% * 0.1745% (0.52 0.02 0.02) = 0.175% QD2 LEU 9 - QD1 ILE 48 7.143% * 0.1636% (0.48 0.02 0.02) = 0.164% QD1 LEU 9 - QD1 ILE 48 7.143% * 0.1109% (0.33 0.02 0.02) = 0.111% QD1 ILE 19 - QD1 ILE 48 7.143% * 0.0534% (0.16 0.02 0.02) = 0.053% QG2 VAL 94 - QD1 ILE 48 7.143% * 0.0416% (0.12 0.02 0.02) = 0.042% HG12 ILE 19 - QD1 ILE 48 7.143% * 0.0365% (0.11 0.02 0.02) = 0.037% 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): 12 chemical-shift based assignments, quality = 0.532, support = 1.26, residual support = 12.2: HA ILE 100 - QD1 ILE 100 8.333% * 44.6879% (0.61 1.67 18.79) = 44.688% kept HA ILE 101 - QD1 ILE 100 8.333% * 29.5071% (0.59 1.16 9.15) = 29.507% kept HA VAL 99 - QD1 ILE 100 8.333% * 13.6994% (0.31 1.00 7.71) = 13.699% kept HA ASN 89 - QD1 ILE 100 8.333% * 8.7018% (0.49 0.41 0.02) = 8.702% kept HA ALA 103 - QD1 ILE 100 8.333% * 0.6311% (0.72 0.02 0.02) = 0.631% HA LYS+ 32 - QD1 ILE 100 8.333% * 0.6159% (0.71 0.02 0.02) = 0.616% HA PRO 86 - QD1 ILE 100 8.333% * 0.5788% (0.66 0.02 0.02) = 0.579% HA VAL 73 - QD1 ILE 100 8.333% * 0.3866% (0.44 0.02 0.02) = 0.387% HA GLU- 50 - QD1 ILE 100 8.333% * 0.3777% (0.43 0.02 0.02) = 0.378% HA ASN 76 - QD1 ILE 100 8.333% * 0.3777% (0.43 0.02 0.02) = 0.378% HA CYS 123 - QD1 ILE 100 8.333% * 0.2504% (0.29 0.02 0.02) = 0.250% HA SER 77 - QD1 ILE 100 8.333% * 0.1855% (0.21 0.02 0.02) = 0.186% 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 = 0.108, residual support = 0.108: 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 0.22 Peak unassigned. Peak 1230 (9.51, 4.09, 53.22 ppm): 2 chemical-shift based assignments, quality = 0.254, support = 2.31, residual support = 12.6: O HN ALA 70 - HA ALA 70 50.000% * 99.8372% (0.25 10.0 2.31 12.66) = 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): 6 chemical-shift based assignments, quality = 0.194, support = 1.74, residual support = 2.93: HN GLU- 10 - HA ALA 11 16.667% * 97.3838% (0.20 1.78 3.01) = 97.384% kept HN GLU- 18 - HA ALA 11 16.667% * 1.0108% (0.18 0.02 0.02) = 1.011% kept HN HIS+ 4 - HA ALA 11 16.667% * 0.5761% (0.10 0.02 0.02) = 0.576% HN GLY 92 - HA ALA 11 16.667% * 0.5330% (0.10 0.02 0.02) = 0.533% HN GLU- 107 - HA ALA 11 16.667% * 0.3045% (0.05 0.02 0.02) = 0.304% HN LYS+ 113 - HA ALA 11 16.667% * 0.1918% (0.03 0.02 0.02) = 0.192% Not enough quality. Peak unassigned. Peak 1232 (8.38, 4.09, 53.26 ppm): 3 chemical-shift based assignments, quality = 0.365, support = 2.93, residual support = 16.1: O HN GLY 71 - HA ALA 70 33.333% * 99.0491% (0.37 10.0 2.95 16.28) = 99.049% kept HN LYS+ 108 - HA ALA 70 33.333% * 0.8580% (0.19 1.0 0.33 0.02) = 0.858% HN ALA 103 - HA ALA 70 33.333% * 0.0929% (0.35 1.0 0.02 0.02) = 0.093% 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 = 12.6: O T QB ALA 70 - HA ALA 70 16.667% * 99.7893% (0.56 10.0 10.00 2.00 12.66) = 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 1.89) = 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 1.89) = 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): 12 chemical-shift based assignments, quality = 0.0791, support = 1.77, residual support = 7.38: O QB ALA 11 - HA ALA 11 8.333% * 95.2559% (0.08 10.0 1.86 7.75) = 95.256% kept QB ALA 91 - HA ALA 11 8.333% * 0.6410% (0.52 1.0 0.02 0.02) = 0.641% HB3 LYS+ 20 - HA ALA 11 8.333% * 0.5957% (0.48 1.0 0.02 0.02) = 0.596% HG2 LYS+ 78 - HA ALA 11 8.333% * 0.5762% (0.47 1.0 0.02 0.02) = 0.576% HG3 ARG+ 22 - HA ALA 11 8.333% * 0.5548% (0.45 1.0 0.02 0.02) = 0.555% HG13 ILE 19 - HA ALA 11 8.333% * 0.5319% (0.43 1.0 0.02 0.02) = 0.532% QG2 THR 39 - HA ALA 11 8.333% * 0.4563% (0.37 1.0 0.02 0.02) = 0.456% HB2 LYS+ 20 - HA ALA 11 8.333% * 0.4029% (0.33 1.0 0.02 0.02) = 0.403% HG3 LYS+ 20 - HA ALA 11 8.333% * 0.3495% (0.28 1.0 0.02 0.02) = 0.349% HG LEU 74 - HA ALA 11 8.333% * 0.3487% (0.28 1.0 0.02 0.02) = 0.349% HB2 LEU 17 - HA ALA 11 8.333% * 0.1847% (0.15 1.0 0.02 0.02) = 0.185% HD3 LYS+ 20 - HA ALA 11 8.333% * 0.1025% (0.08 1.0 0.02 0.02) = 0.102% Peak 1239 (8.25, 4.24, 52.81 ppm): 11 chemical-shift based assignments, quality = 0.167, support = 1.4, residual support = 3.47: O HN GLU- 12 - HA ALA 11 9.091% * 98.7702% (0.17 10.0 1.41 3.51) = 98.770% kept HN THR 106 - HA ALA 11 9.091% * 0.1923% (0.23 1.0 0.02 0.02) = 0.192% HN ASP- 115 - HA ALA 11 9.091% * 0.1906% (0.23 1.0 0.02 0.11) = 0.191% HN GLN 16 - HA ALA 11 9.091% * 0.1540% (0.19 1.0 0.02 0.02) = 0.154% HN HIS+ 7 - HA ALA 11 9.091% * 0.1321% (0.16 1.0 0.02 0.02) = 0.132% HN LYS+ 81 - HA ALA 11 9.091% * 0.1166% (0.14 1.0 0.02 0.02) = 0.117% HN LEU 67 - HA ALA 11 9.091% * 0.1166% (0.14 1.0 0.02 0.02) = 0.117% HN MET 118 - HA ALA 11 9.091% * 0.1089% (0.13 1.0 0.02 0.02) = 0.109% HN GLY 58 - HA ALA 11 9.091% * 0.0936% (0.11 1.0 0.02 0.02) = 0.094% HN SER 49 - HA ALA 11 9.091% * 0.0656% (0.08 1.0 0.02 0.02) = 0.066% HN ASN 89 - HA ALA 11 9.091% * 0.0594% (0.07 1.0 0.02 0.22) = 0.059% Not enough quality. 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): 19 chemical-shift based assignments, quality = 0.242, support = 0.296, residual support = 0.154: HA ASN 89 - HA ALA 11 5.263% * 66.0217% (0.26 0.44 0.22) = 66.022% kept HA HIS+ 4 - HA ALA 11 5.263% * 3.3229% (0.29 0.02 0.02) = 3.323% kept HA2 GLY 114 - HA ALA 11 5.263% * 3.2571% (0.28 0.02 0.02) = 3.257% kept HA LYS+ 108 - HA ALA 11 5.263% * 3.2068% (0.28 0.02 0.02) = 3.207% kept HA PRO 59 - HA ALA 11 5.263% * 3.1433% (0.27 0.02 0.02) = 3.143% kept HA GLU- 56 - HA ALA 11 5.263% * 3.0674% (0.27 0.02 0.02) = 3.067% kept HA GLU- 75 - HA ALA 11 5.263% * 2.4129% (0.21 0.02 0.02) = 2.413% kept HA HIS+ 8 - HA ALA 11 5.263% * 2.1496% (0.19 0.02 0.02) = 2.150% kept HA GLU- 54 - HA ALA 11 5.263% * 1.7483% (0.15 0.02 0.02) = 1.748% kept HA VAL 73 - HA ALA 11 5.263% * 1.6874% (0.15 0.02 0.02) = 1.687% kept HA SER 49 - HA ALA 11 5.263% * 1.4898% (0.13 0.02 0.02) = 1.490% kept HA GLU- 18 - HA ALA 11 5.263% * 1.3661% (0.12 0.02 0.02) = 1.366% kept HA ARG+ 84 - HA ALA 11 5.263% * 1.3661% (0.12 0.02 0.02) = 1.366% kept HA VAL 65 - HA ALA 11 5.263% * 1.2471% (0.11 0.02 0.02) = 1.247% kept HA SER 85 - HA ALA 11 5.263% * 1.0256% (0.09 0.02 0.02) = 1.026% kept HA PRO 52 - HA ALA 11 5.263% * 1.0256% (0.09 0.02 0.02) = 1.026% kept HD3 PRO 59 - HA ALA 11 5.263% * 1.0256% (0.09 0.02 0.02) = 1.026% kept HA ALA 91 - HA ALA 11 5.263% * 0.9239% (0.08 0.02 0.02) = 0.924% HA ALA 42 - HA ALA 11 5.263% * 0.5127% (0.04 0.02 0.02) = 0.513% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 1245 (4.08, 4.25, 53.15 ppm): 7 chemical-shift based assignments, quality = 0.193, support = 1.76, residual support = 4.14: HA ASN 89 - HA ALA 91 14.286% * 96.4781% (0.20 1.82 4.29) = 96.478% kept HA LYS+ 63 - HA ALA 91 14.286% * 1.0402% (0.19 0.02 0.02) = 1.040% kept HA LYS+ 44 - HA ALA 91 14.286% * 0.8167% (0.15 0.02 0.02) = 0.817% HB2 SER 49 - HA ALA 91 14.286% * 0.6436% (0.12 0.02 0.02) = 0.644% HA ALA 70 - HA ALA 91 14.286% * 0.5583% (0.10 0.02 0.02) = 0.558% HA VAL 105 - HA ALA 91 14.286% * 0.2363% (0.04 0.02 0.02) = 0.236% HB3 SER 77 - HA ALA 91 14.286% * 0.2269% (0.04 0.02 0.02) = 0.227% Peak 1246 (3.95, 4.26, 53.19 ppm): 10 chemical-shift based assignments, quality = 0.329, support = 1.66, residual support = 3.93: HA ASN 89 - HA ALA 91 10.000% * 91.0826% (0.34 1.82 4.29) = 91.083% kept HA ALA 93 - HA ALA 91 10.000% * 4.2919% (0.27 0.11 0.55) = 4.292% kept HA1 GLY 114 - HA ALA 91 10.000% * 1.0102% (0.35 0.02 0.02) = 1.010% kept HA LYS+ 44 - HA ALA 91 10.000% * 0.9909% (0.34 0.02 0.02) = 0.991% HB3 SER 77 - HA ALA 91 10.000% * 0.9154% (0.31 0.02 0.02) = 0.915% HA VAL 122 - HA ALA 91 10.000% * 0.5422% (0.19 0.02 0.02) = 0.542% HB3 CYS 121 - HA ALA 91 10.000% * 0.4237% (0.15 0.02 0.02) = 0.424% HA LEU 74 - HA ALA 91 10.000% * 0.3181% (0.11 0.02 0.02) = 0.318% HB THR 96 - HA ALA 91 10.000% * 0.2570% (0.09 0.02 0.02) = 0.257% HA ILE 48 - HA ALA 91 10.000% * 0.1679% (0.06 0.02 0.02) = 0.168% 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 = 0.164, support = 1.75, residual support = 9.72: O T QB ALA 37 - HA ALA 37 10.000% * 84.0415% (0.16 10.0 10.00 1.87 10.90) = 84.041% kept QG2 THR 38 - HA ALA 37 10.000% * 8.5310% (0.16 1.0 1.00 2.03 6.43) = 8.531% kept T HG3 LYS+ 108 - HA ALA 37 10.000% * 5.4855% (0.27 1.0 10.00 0.08 0.02) = 5.486% kept HG LEU 74 - HA ALA 37 10.000% * 1.2139% (0.10 1.0 1.00 0.45 0.35) = 1.214% kept HD3 LYS+ 113 - HA ALA 37 10.000% * 0.1455% (0.28 1.0 1.00 0.02 0.02) = 0.146% HG3 LYS+ 55 - HA ALA 37 10.000% * 0.1433% (0.27 1.0 1.00 0.02 0.02) = 0.143% HD3 LYS+ 44 - HA ALA 37 10.000% * 0.1404% (0.27 1.0 1.00 0.02 0.02) = 0.140% HB3 LYS+ 60 - HA ALA 37 10.000% * 0.1189% (0.23 1.0 1.00 0.02 0.02) = 0.119% HG LEU 90 - HA ALA 37 10.000% * 0.1078% (0.20 1.0 1.00 0.02 0.02) = 0.108% QB ALA 42 - HA ALA 37 10.000% * 0.0723% (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 = 0.391, residual support = 0.309: HG LEU 74 - HA ALA 37 12.500% * 86.6420% (0.30 0.45 0.35) = 86.642% kept QG2 THR 61 - HA ALA 37 12.500% * 3.8466% (0.30 0.02 0.02) = 3.847% kept QG2 THR 96 - HA ALA 37 12.500% * 2.8182% (0.22 0.02 0.02) = 2.818% kept QG2 THR 79 - HA ALA 37 12.500% * 2.6659% (0.21 0.02 0.02) = 2.666% kept HD3 LYS+ 111 - HA ALA 37 12.500% * 1.3238% (0.10 0.02 0.02) = 1.324% kept QB ALA 33 - HA ALA 37 12.500% * 0.9677% (0.08 0.02 0.02) = 0.968% HG3 LYS+ 32 - HA ALA 37 12.500% * 0.9677% (0.08 0.02 0.02) = 0.968% QG2 THR 95 - HA ALA 37 12.500% * 0.7680% (0.06 0.02 0.02) = 0.768% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 1261 (6.74, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.16, support = 0.224, residual support = 0.829: HZ3 TRP 51 - QD1 ILE 101 50.000% * 91.4205% (0.16 0.24 0.90) = 91.420% kept QE TYR 83 - QD1 ILE 101 50.000% * 8.5795% (0.18 0.02 0.02) = 8.580% kept Not enough quality. Peak unassigned. Peak 1262 (4.94, 0.55, 10.95 ppm): 3 chemical-shift based assignments, quality = 0.136, support = 1.03, residual support = 9.06: HA GLN 102 - QD1 ILE 101 33.333% * 52.9421% (0.11 1.27 16.82) = 52.942% kept HA HIS+ 98 - QD1 ILE 101 33.333% * 46.2250% (0.16 0.78 0.33) = 46.225% kept HA ALA 33 - QD1 ILE 101 33.333% * 0.8329% (0.11 0.02 0.02) = 0.833% Peak 1268 (4.21, 0.55, 10.94 ppm): 17 chemical-shift based assignments, quality = 0.227, support = 0.386, residual support = 0.312: HA ASN 89 - QD1 ILE 101 5.882% * 51.7760% (0.29 0.49 0.40) = 51.776% kept HA VAL 73 - QD1 ILE 101 5.882% * 19.9876% (0.09 0.60 0.49) = 19.988% kept HA SER 49 - QD1 ILE 101 5.882% * 4.4255% (0.13 0.10 0.02) = 4.425% kept HA GLU- 54 - QD1 ILE 101 5.882% * 3.9220% (0.11 0.10 0.02) = 3.922% kept HB3 HIS+ 14 - QD1 ILE 101 5.882% * 2.2335% (0.31 0.02 0.02) = 2.234% kept HA ALA 11 - QD1 ILE 101 5.882% * 2.2187% (0.31 0.02 0.02) = 2.219% kept HA GLU- 109 - QD1 ILE 101 5.882% * 2.1942% (0.30 0.02 0.02) = 2.194% kept HA GLU- 12 - QD1 ILE 101 5.882% * 2.0076% (0.28 0.02 0.02) = 2.008% kept HB3 SER 49 - QD1 ILE 101 5.882% * 1.9417% (0.27 0.02 0.02) = 1.942% kept HA LYS+ 110 - QD1 ILE 101 5.882% * 1.8698% (0.26 0.02 0.02) = 1.870% kept HA ALA 42 - QD1 ILE 101 5.882% * 1.7925% (0.25 0.02 0.02) = 1.792% kept HA ASP- 82 - QD1 ILE 101 5.882% * 1.7925% (0.25 0.02 0.02) = 1.792% kept HA GLU- 64 - QD1 ILE 101 5.882% * 1.1777% (0.16 0.02 0.02) = 1.178% kept HA GLU- 18 - QD1 ILE 101 5.882% * 1.0036% (0.14 0.02 0.02) = 1.004% kept HA MET 126 - QD1 ILE 101 5.882% * 0.6224% (0.09 0.02 0.02) = 0.622% HA HIS+ 8 - QD1 ILE 101 5.882% * 0.5582% (0.08 0.02 0.02) = 0.558% HA LYS+ 44 - QD1 ILE 101 5.882% * 0.4767% (0.07 0.02 0.02) = 0.477% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 1271 (2.07, 0.55, 10.97 ppm): 13 chemical-shift based assignments, quality = 0.303, support = 1.24, residual support = 2.52: HB3 GLU- 75 - QD1 ILE 101 7.692% * 81.8793% (0.34 1.46 3.08) = 81.879% kept HB2 GLU- 45 - QD1 ILE 101 7.692% * 10.5651% (0.17 0.38 0.02) = 10.565% kept HA1 GLY 58 - QD1 ILE 101 7.692% * 2.0829% (0.06 0.22 0.02) = 2.083% kept HG3 ARG+ 53 - QD1 ILE 101 7.692% * 1.2499% (0.38 0.02 0.02) = 1.250% kept HB3 LYS+ 120 - QD1 ILE 101 7.692% * 1.0866% (0.33 0.02 0.02) = 1.087% kept HD3 LYS+ 110 - QD1 ILE 101 7.692% * 0.6097% (0.18 0.02 0.02) = 0.610% HB2 LYS+ 110 - QD1 ILE 101 7.692% * 0.5150% (0.15 0.02 0.02) = 0.515% HB3 GLU- 10 - QD1 ILE 101 7.692% * 0.4701% (0.14 0.02 0.02) = 0.470% HB2 LEU 43 - QD1 ILE 101 7.692% * 0.4273% (0.13 0.02 0.02) = 0.427% HB VAL 125 - QD1 ILE 101 7.692% * 0.3866% (0.12 0.02 0.02) = 0.387% HB VAL 62 - QD1 ILE 101 7.692% * 0.2789% (0.08 0.02 0.02) = 0.279% HG3 PRO 86 - QD1 ILE 101 7.692% * 0.2789% (0.08 0.02 0.02) = 0.279% HB VAL 87 - QD1 ILE 101 7.692% * 0.1695% (0.05 0.02 0.02) = 0.170% Peak 1272 (1.63, 0.55, 10.95 ppm): 13 chemical-shift based assignments, quality = 0.312, support = 1.69, residual support = 24.0: O T HG12 ILE 101 - QD1 ILE 101 7.692% * 92.0664% (0.31 10.0 10.00 1.72 25.40) = 92.066% kept HB ILE 100 - QD1 ILE 101 7.692% * 7.0628% (0.31 1.0 1.00 1.53 9.15) = 7.063% kept T HG3 ARG+ 84 - QD1 ILE 101 7.692% * 0.2167% (0.07 1.0 10.00 0.02 0.02) = 0.217% T HB2 HIS+ 8 - QD1 ILE 101 7.692% * 0.2167% (0.07 1.0 10.00 0.02 0.02) = 0.217% HG LEU 23 - QD1 ILE 101 7.692% * 0.0954% (0.33 1.0 1.00 0.02 0.55) = 0.095% HB2 LEU 67 - QD1 ILE 101 7.692% * 0.0921% (0.31 1.0 1.00 0.02 0.02) = 0.092% HG3 LYS+ 78 - QD1 ILE 101 7.692% * 0.0669% (0.23 1.0 1.00 0.02 0.02) = 0.067% HB3 ARG+ 22 - QD1 ILE 101 7.692% * 0.0474% (0.16 1.0 1.00 0.02 0.02) = 0.047% HB3 MET 97 - QD1 ILE 101 7.692% * 0.0400% (0.14 1.0 1.00 0.02 0.02) = 0.040% HG2 LYS+ 110 - QD1 ILE 101 7.692% * 0.0332% (0.11 1.0 1.00 0.02 0.02) = 0.033% HG3 LYS+ 110 - QD1 ILE 101 7.692% * 0.0300% (0.10 1.0 1.00 0.02 0.02) = 0.030% HB3 LEU 17 - QD1 ILE 101 7.692% * 0.0193% (0.07 1.0 1.00 0.02 0.02) = 0.019% HD3 LYS+ 32 - QD1 ILE 101 7.692% * 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 = 0.288, support = 2.1, residual support = 12.0: T HG LEU 74 - QD1 ILE 101 20.000% * 96.2103% (0.29 10.00 2.15 12.00) = 96.210% kept HB3 LEU 74 - QD1 ILE 101 20.000% * 3.6126% (0.24 1.00 0.92 12.00) = 3.613% kept HG2 LYS+ 32 - QD1 ILE 101 20.000% * 0.1209% (0.37 1.00 0.02 0.02) = 0.121% HB2 LYS+ 55 - QD1 ILE 101 20.000% * 0.0374% (0.11 1.00 0.02 0.02) = 0.037% QG2 THR 46 - QD1 ILE 101 20.000% * 0.0187% (0.06 1.00 0.02 0.02) = 0.019% Peak 1274 (1.00, 0.55, 10.95 ppm): 4 chemical-shift based assignments, quality = 0.284, support = 1.71, residual support = 8.75: T HG LEU 74 - QD1 ILE 101 25.000% * 68.4984% (0.27 10.00 2.15 12.00) = 68.498% kept T QG1 VAL 99 - QD1 ILE 101 25.000% * 28.3532% (0.32 10.00 0.71 0.90) = 28.353% kept HG13 ILE 100 - QD1 ILE 101 25.000% * 3.0699% (0.20 1.00 1.25 9.15) = 3.070% kept HG2 LYS+ 20 - QD1 ILE 101 25.000% * 0.0784% (0.31 1.00 0.02 0.02) = 0.078% Peak 1275 (0.72, 0.55, 10.95 ppm): 11 chemical-shift based assignments, quality = 0.197, support = 1.71, residual support = 19.3: QG2 ILE 101 - QD1 ILE 101 9.091% * 68.1801% (0.25 2.01 25.40) = 68.180% kept HG LEU 74 - QD1 ILE 101 9.091% * 14.7634% (0.05 2.15 12.00) = 14.763% kept HG3 LYS+ 66 - QD1 ILE 101 9.091% * 5.1537% (0.14 0.26 3.89) = 5.154% kept QD1 ILE 68 - QD1 ILE 101 9.091% * 2.9792% (0.26 0.08 0.02) = 2.979% kept HG LEU 67 - QD1 ILE 101 9.091% * 2.9279% (0.13 0.16 0.02) = 2.928% kept HB2 LEU 9 - QD1 ILE 101 9.091% * 2.7142% (0.14 0.14 0.02) = 2.714% kept QG2 VAL 40 - QD1 ILE 101 9.091% * 0.8587% (0.31 0.02 0.02) = 0.859% QG2 ILE 48 - QD1 ILE 101 9.091% * 0.7718% (0.28 0.02 0.02) = 0.772% QD2 LEU 9 - QD1 ILE 101 9.091% * 0.7124% (0.26 0.02 0.02) = 0.712% QD1 LEU 9 - QD1 ILE 101 9.091% * 0.5397% (0.19 0.02 0.02) = 0.540% HG2 PRO 59 - QD1 ILE 101 9.091% * 0.3989% (0.14 0.02 0.70) = 0.399% 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): 12 chemical-shift based assignments, quality = 0.494, support = 0.526, residual support = 0.578: HA THR 95 - HD2 PRO 116 8.333% * 68.9996% (0.62 0.62 0.82) = 69.000% kept HA ILE 19 - HD2 PRO 116 8.333% * 18.3913% (0.29 0.35 0.02) = 18.391% kept HA ASN 89 - HD2 PRO 116 8.333% * 4.8769% (0.17 0.16 0.02) = 4.877% kept HA ASN 89 - HD2 PRO 86 8.333% * 4.0457% (0.04 0.51 0.15) = 4.046% kept HA ASN 89 - HD3 PRO 86 8.333% * 1.7013% (0.02 0.51 0.15) = 1.701% kept HA THR 95 - HD2 PRO 86 8.333% * 0.5941% (0.17 0.02 0.02) = 0.594% HA SER 69 - HD2 PRO 116 8.333% * 0.5412% (0.15 0.02 0.02) = 0.541% HA ILE 19 - HD2 PRO 86 8.333% * 0.2791% (0.08 0.02 0.02) = 0.279% HA THR 95 - HD3 PRO 86 8.333% * 0.2498% (0.07 0.02 0.02) = 0.250% HA SER 69 - HD2 PRO 86 8.333% * 0.1433% (0.04 0.02 0.02) = 0.143% HA ILE 19 - HD3 PRO 86 8.333% * 0.1174% (0.03 0.02 0.02) = 0.117% HA SER 69 - HD3 PRO 86 8.333% * 0.0603% (0.02 0.02 0.02) = 0.060% 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): 51 chemical-shift based assignments, quality = 0.267, support = 2.37, residual support = 14.9: O HG3 PRO 86 - HD2 PRO 86 1.961% * 44.9409% (0.26 10.0 1.00 2.96 22.81) = 44.941% kept O HG2 PRO 116 - HD2 PRO 116 1.961% * 34.4704% (0.34 10.0 1.00 1.16 2.96) = 34.470% kept O T HG3 PRO 86 - HD3 PRO 86 1.961% * 16.0242% (0.09 10.0 10.00 4.00 22.81) = 16.024% kept T HB3 GLU- 45 - HD2 PRO 116 1.961% * 1.3187% (0.76 1.0 10.00 0.02 0.02) = 1.319% kept T HB2 GLU- 45 - HD2 PRO 116 1.961% * 1.1464% (0.66 1.0 10.00 0.02 0.02) = 1.146% kept HB3 LYS+ 110 - HD2 PRO 116 1.961% * 0.1575% (0.91 1.0 1.00 0.02 0.02) = 0.158% HG3 PRO 86 - HD2 PRO 116 1.961% * 0.1493% (0.86 1.0 1.00 0.02 4.42) = 0.149% HB3 GLU- 107 - HD2 PRO 116 1.961% * 0.1493% (0.86 1.0 1.00 0.02 0.02) = 0.149% HB VAL 62 - HD2 PRO 116 1.961% * 0.1493% (0.86 1.0 1.00 0.02 0.02) = 0.149% T HB3 GLU- 45 - HD3 PRO 86 1.961% * 0.1415% (0.08 1.0 10.00 0.02 0.02) = 0.141% HB3 GLU- 10 - HD2 PRO 116 1.961% * 0.1264% (0.73 1.0 1.00 0.02 0.02) = 0.126% T HB2 GLU- 45 - HD3 PRO 86 1.961% * 0.1230% (0.07 1.0 10.00 0.02 0.02) = 0.123% HB3 PRO 31 - HD2 PRO 116 1.961% * 0.0958% (0.55 1.0 1.00 0.02 0.02) = 0.096% HB2 LYS+ 44 - HD2 PRO 116 1.961% * 0.0958% (0.55 1.0 1.00 0.02 0.02) = 0.096% HB3 GLU- 75 - HD2 PRO 116 1.961% * 0.0949% (0.55 1.0 1.00 0.02 0.02) = 0.095% HB2 PRO 112 - HD2 PRO 116 1.961% * 0.0768% (0.44 1.0 1.00 0.02 0.02) = 0.077% HB3 PRO 112 - HD2 PRO 116 1.961% * 0.0649% (0.38 1.0 1.00 0.02 0.02) = 0.065% HB3 LYS+ 110 - HD2 PRO 86 1.961% * 0.0474% (0.27 1.0 1.00 0.02 0.02) = 0.047% HB3 GLU- 107 - HD2 PRO 86 1.961% * 0.0449% (0.26 1.0 1.00 0.02 0.02) = 0.045% HB VAL 62 - HD2 PRO 86 1.961% * 0.0449% (0.26 1.0 1.00 0.02 0.02) = 0.045% HB3 GLU- 45 - HD2 PRO 86 1.961% * 0.0397% (0.23 1.0 1.00 0.02 0.02) = 0.040% HG2 GLU- 64 - HD2 PRO 116 1.961% * 0.0394% (0.23 1.0 1.00 0.02 0.02) = 0.039% HB3 GLU- 10 - HD2 PRO 86 1.961% * 0.0380% (0.22 1.0 1.00 0.02 0.02) = 0.038% HB2 GLU- 45 - HD2 PRO 86 1.961% * 0.0345% (0.20 1.0 1.00 0.02 0.02) = 0.034% HB2 GLU- 18 - HD2 PRO 116 1.961% * 0.0312% (0.18 1.0 1.00 0.02 0.02) = 0.031% HB2 LYS+ 44 - HD2 PRO 86 1.961% * 0.0288% (0.17 1.0 1.00 0.02 0.02) = 0.029% HB3 PRO 31 - HD2 PRO 86 1.961% * 0.0288% (0.17 1.0 1.00 0.02 0.02) = 0.029% HB3 GLU- 75 - HD2 PRO 86 1.961% * 0.0286% (0.17 1.0 1.00 0.02 0.02) = 0.029% HB VAL 105 - HD2 PRO 116 1.961% * 0.0244% (0.14 1.0 1.00 0.02 0.02) = 0.024% HB2 PRO 112 - HD2 PRO 86 1.961% * 0.0231% (0.13 1.0 1.00 0.02 0.02) = 0.023% HG3 ARG+ 53 - HD2 PRO 116 1.961% * 0.0214% (0.12 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 112 - HD2 PRO 86 1.961% * 0.0195% (0.11 1.0 1.00 0.02 0.02) = 0.020% HG2 PRO 116 - HD2 PRO 86 1.961% * 0.0178% (0.10 1.0 1.00 0.02 4.42) = 0.018% HB3 LYS+ 110 - HD3 PRO 86 1.961% * 0.0169% (0.10 1.0 1.00 0.02 0.02) = 0.017% HB3 GLU- 107 - HD3 PRO 86 1.961% * 0.0160% (0.09 1.0 1.00 0.02 0.02) = 0.016% HB VAL 62 - HD3 PRO 86 1.961% * 0.0160% (0.09 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 10 - HD3 PRO 86 1.961% * 0.0136% (0.08 1.0 1.00 0.02 0.02) = 0.014% HG2 GLU- 64 - HD2 PRO 86 1.961% * 0.0118% (0.07 1.0 1.00 0.02 1.37) = 0.012% HB3 PRO 31 - HD3 PRO 86 1.961% * 0.0103% (0.06 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 44 - HD3 PRO 86 1.961% * 0.0103% (0.06 1.0 1.00 0.02 0.02) = 0.010% HB3 GLU- 75 - HD3 PRO 86 1.961% * 0.0102% (0.06 1.0 1.00 0.02 0.02) = 0.010% HB2 GLU- 18 - HD2 PRO 86 1.961% * 0.0094% (0.05 1.0 1.00 0.02 0.02) = 0.009% HB2 PRO 112 - HD3 PRO 86 1.961% * 0.0082% (0.05 1.0 1.00 0.02 0.02) = 0.008% HB VAL 105 - HD2 PRO 86 1.961% * 0.0073% (0.04 1.0 1.00 0.02 0.02) = 0.007% HB3 PRO 112 - HD3 PRO 86 1.961% * 0.0070% (0.04 1.0 1.00 0.02 0.02) = 0.007% HG3 ARG+ 53 - HD2 PRO 86 1.961% * 0.0064% (0.04 1.0 1.00 0.02 0.02) = 0.006% HG2 PRO 116 - HD3 PRO 86 1.961% * 0.0064% (0.04 1.0 1.00 0.02 4.42) = 0.006% HG2 GLU- 64 - HD3 PRO 86 1.961% * 0.0042% (0.02 1.0 1.00 0.02 1.37) = 0.004% HB2 GLU- 18 - HD3 PRO 86 1.961% * 0.0034% (0.02 1.0 1.00 0.02 0.02) = 0.003% HB VAL 105 - HD3 PRO 86 1.961% * 0.0026% (0.02 1.0 1.00 0.02 0.02) = 0.003% HG3 ARG+ 53 - HD3 PRO 86 1.961% * 0.0023% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 1287 (4.85, 3.83, 51.08 ppm): 12 chemical-shift based assignments, quality = 0.465, support = 0.51, residual support = 0.578: HA THR 95 - HD3 PRO 116 8.333% * 69.5093% (0.58 0.61 0.82) = 69.509% kept HA ILE 19 - HD3 PRO 116 8.333% * 18.5272% (0.27 0.35 0.02) = 18.527% kept HA ASN 89 - HD3 PRO 116 8.333% * 4.9458% (0.15 0.16 0.02) = 4.946% kept HA ASN 89 - HD3 PRO 86 8.333% * 2.0426% (0.02 0.51 0.15) = 2.043% kept HA ASN 89 - HD3 PRO 112 8.333% * 1.9165% (0.08 0.12 0.02) = 1.917% kept HA THR 95 - HD3 PRO 112 8.333% * 1.1669% (0.30 0.02 0.02) = 1.167% kept HA SER 69 - HD3 PRO 116 8.333% * 0.5488% (0.14 0.02 0.02) = 0.549% HA ILE 19 - HD3 PRO 112 8.333% * 0.5482% (0.14 0.02 0.02) = 0.548% HA THR 95 - HD3 PRO 86 8.333% * 0.3000% (0.08 0.02 0.02) = 0.300% HA SER 69 - HD3 PRO 112 8.333% * 0.2814% (0.07 0.02 0.02) = 0.281% HA ILE 19 - HD3 PRO 86 8.333% * 0.1409% (0.04 0.02 0.02) = 0.141% HA SER 69 - HD3 PRO 86 8.333% * 0.0723% (0.02 0.02 0.02) = 0.072% Peak 1288 (4.60, 3.80, 50.88 ppm): 8 chemical-shift based assignments, quality = 0.117, support = 0.0928, residual support = 0.02: HA ASN 89 - HD3 PRO 112 12.500% * 31.6522% (0.11 0.12 0.02) = 31.652% kept HA ASN 89 - HD3 PRO 116 12.500% * 28.1213% (0.07 0.16 0.02) = 28.121% kept HA HIS+ 6 - HD3 PRO 112 12.500% * 10.6641% (0.22 0.02 0.02) = 10.664% kept HA ASP- 25 - HD3 PRO 112 12.500% * 7.5904% (0.16 0.02 0.02) = 7.590% kept HA HIS+ 6 - HD3 PRO 116 12.500% * 7.1594% (0.15 0.02 0.02) = 7.159% kept HA LEU 9 - HD3 PRO 112 12.500% * 5.8137% (0.12 0.02 0.02) = 5.814% kept HA ASP- 25 - HD3 PRO 116 12.500% * 5.0959% (0.11 0.02 0.02) = 5.096% kept HA LEU 9 - HD3 PRO 116 12.500% * 3.9031% (0.08 0.02 0.02) = 3.903% kept Not enough support, support cutoff is 0.22 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): 8 chemical-shift based assignments, quality = 0.13, support = 2.94, residual support = 7.47: O HD3 PRO 112 - HD2 PRO 112 12.500% * 99.5719% (0.13 10.0 2.96 7.50) = 99.572% kept HA ASN 89 - HD2 PRO 112 12.500% * 0.0871% (0.11 1.0 0.02 0.02) = 0.087% HB3 SER 41 - HD2 PRO 112 12.500% * 0.0862% (0.11 1.0 0.02 0.02) = 0.086% HA GLU- 45 - HD2 PRO 112 12.500% * 0.0826% (0.11 1.0 0.02 0.02) = 0.083% HA ILE 48 - HD2 PRO 112 12.500% * 0.0739% (0.10 1.0 0.02 0.02) = 0.074% HD3 PRO 116 - HD2 PRO 112 12.500% * 0.0387% (0.05 1.0 0.02 0.02) = 0.039% HA LYS+ 44 - HD2 PRO 112 12.500% * 0.0366% (0.05 1.0 0.02 0.02) = 0.037% HA2 GLY 92 - HD2 PRO 112 12.500% * 0.0230% (0.03 1.0 0.02 0.02) = 0.023% Peak 1300 (3.63, 3.80, 50.86 ppm): 6 chemical-shift based assignments, quality = 0.166, support = 2.91, residual support = 7.39: O T HD2 PRO 112 - HD3 PRO 112 16.667% * 98.4994% (0.17 10.0 10.00 2.96 7.50) = 98.499% kept T HD2 PRO 112 - HD3 PRO 116 16.667% * 0.5866% (0.10 1.0 10.00 0.02 0.02) = 0.587% HA ASN 89 - HD3 PRO 112 16.667% * 0.4219% (0.12 1.0 1.00 0.12 0.02) = 0.422% HA ASN 89 - HD3 PRO 116 16.667% * 0.3325% (0.07 1.0 1.00 0.16 0.02) = 0.332% HA ILE 48 - HD3 PRO 112 16.667% * 0.1001% (0.17 1.0 1.00 0.02 0.02) = 0.100% HA ILE 48 - HD3 PRO 116 16.667% * 0.0596% (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): 18 chemical-shift based assignments, quality = 0.272, support = 3.37, residual support = 18.5: O HB3 PRO 86 - HD2 PRO 86 5.556% * 38.2490% (0.21 10.0 3.25 22.81) = 38.249% kept O HB2 PRO 86 - HD2 PRO 86 5.556% * 23.6679% (0.13 10.0 4.85 22.81) = 23.668% kept HB3 PRO 86 - HD2 PRO 116 5.556% * 10.4593% (0.82 1.0 1.38 4.42) = 10.459% kept O HB3 PRO 86 - HD3 PRO 86 5.556% * 9.8048% (0.05 10.0 4.31 22.81) = 9.805% kept HB2 PRO 86 - HD2 PRO 116 5.556% * 6.5701% (0.51 1.0 1.40 4.42) = 6.570% kept O HB2 PRO 86 - HD3 PRO 86 5.556% * 6.0670% (0.03 10.0 4.85 22.81) = 6.067% kept HG3 GLU- 64 - HD2 PRO 116 5.556% * 3.9669% (0.78 1.0 0.56 0.02) = 3.967% kept HA1 GLY 58 - HD2 PRO 116 5.556% * 1.0171% (0.45 1.0 0.25 0.02) = 1.017% kept HB2 TYR 83 - HD2 PRO 116 5.556% * 0.0752% (0.41 1.0 0.02 0.02) = 0.075% HG3 GLU- 64 - HD2 PRO 86 5.556% * 0.0360% (0.20 1.0 0.02 1.37) = 0.036% HB2 HIS+ 3 - HD2 PRO 116 5.556% * 0.0209% (0.11 1.0 0.02 0.02) = 0.021% HA1 GLY 58 - HD2 PRO 86 5.556% * 0.0208% (0.11 1.0 0.02 0.02) = 0.021% HB2 TYR 83 - HD2 PRO 86 5.556% * 0.0190% (0.10 1.0 0.02 0.02) = 0.019% HG3 GLU- 64 - HD3 PRO 86 5.556% * 0.0092% (0.05 1.0 0.02 1.37) = 0.009% HA1 GLY 58 - HD3 PRO 86 5.556% * 0.0053% (0.03 1.0 0.02 0.02) = 0.005% HB2 HIS+ 3 - HD2 PRO 86 5.556% * 0.0053% (0.03 1.0 0.02 0.02) = 0.005% HB2 TYR 83 - HD3 PRO 86 5.556% * 0.0049% (0.03 1.0 0.02 0.02) = 0.005% HB2 HIS+ 3 - HD3 PRO 86 5.556% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% Peak 1311 (2.30, 3.82, 51.00 ppm): 10 chemical-shift based assignments, quality = 0.477, support = 1.33, residual support = 3.61: HB2 PRO 86 - HD3 PRO 116 10.000% * 54.6685% (0.51 1.84 4.42) = 54.669% kept HB3 PRO 86 - HD3 PRO 116 10.000% * 26.9738% (0.47 0.98 4.42) = 26.974% kept HG3 GLU- 64 - HD3 PRO 116 10.000% * 10.7191% (0.58 0.31 0.02) = 10.719% kept HA1 GLY 58 - HD3 PRO 112 10.000% * 5.5937% (0.23 0.41 0.11) = 5.594% kept HG3 GLU- 64 - HD3 PRO 112 10.000% * 0.5195% (0.44 0.02 0.02) = 0.520% HB2 PRO 86 - HD3 PRO 112 10.000% * 0.4517% (0.38 0.02 0.02) = 0.452% HB3 PRO 86 - HD3 PRO 112 10.000% * 0.4169% (0.35 0.02 0.02) = 0.417% HA1 GLY 58 - HD3 PRO 116 10.000% * 0.3558% (0.30 0.02 0.02) = 0.356% HB2 TYR 83 - HD3 PRO 116 10.000% * 0.1711% (0.15 0.02 0.02) = 0.171% HB2 TYR 83 - HD3 PRO 112 10.000% * 0.1298% (0.11 0.02 0.02) = 0.130% Peak 1312 (2.02, 3.81, 50.97 ppm): 34 chemical-shift based assignments, quality = 0.404, support = 1.03, residual support = 5.66: O HB2 PRO 112 - HD3 PRO 112 2.941% * 29.9008% (0.43 10.0 1.00 1.27 7.50) = 29.901% kept O HG2 PRO 116 - HD3 PRO 116 2.941% * 25.5642% (0.46 10.0 1.00 1.00 2.96) = 25.564% kept O HB3 PRO 112 - HD3 PRO 112 2.941% * 23.7852% (0.43 10.0 1.00 1.00 7.50) = 23.785% kept T HG2 PRO 86 - HD3 PRO 116 2.941% * 14.7136% (0.34 1.0 10.00 0.79 4.42) = 14.714% kept T HG3 PRO 86 - HD3 PRO 116 2.941% * 5.0525% (0.12 1.0 10.00 0.79 4.42) = 5.052% kept HB3 PRO 112 - HD3 PRO 116 2.941% * 0.0512% (0.46 1.0 1.00 0.02 0.02) = 0.051% HB2 PRO 112 - HD3 PRO 116 2.941% * 0.0508% (0.46 1.0 1.00 0.02 0.02) = 0.051% HB2 LYS+ 44 - HD3 PRO 116 2.941% * 0.0485% (0.44 1.0 1.00 0.02 0.02) = 0.048% HG2 GLU- 64 - HD3 PRO 116 2.941% * 0.0485% (0.44 1.0 1.00 0.02 0.02) = 0.048% HB3 PRO 31 - HD3 PRO 116 2.941% * 0.0485% (0.44 1.0 1.00 0.02 0.02) = 0.048% HG2 PRO 116 - HD3 PRO 112 2.941% * 0.0475% (0.43 1.0 1.00 0.02 0.02) = 0.047% HB2 GLU- 18 - HD3 PRO 116 2.941% * 0.0460% (0.42 1.0 1.00 0.02 0.02) = 0.046% HG2 GLU- 64 - HD3 PRO 112 2.941% * 0.0450% (0.41 1.0 1.00 0.02 0.02) = 0.045% HB3 PRO 31 - HD3 PRO 112 2.941% * 0.0450% (0.41 1.0 1.00 0.02 0.02) = 0.045% HB2 LYS+ 44 - HD3 PRO 112 2.941% * 0.0450% (0.41 1.0 1.00 0.02 0.02) = 0.045% HB VAL 105 - HD3 PRO 116 2.941% * 0.0428% (0.39 1.0 1.00 0.02 0.02) = 0.043% HB2 GLU- 18 - HD3 PRO 112 2.941% * 0.0427% (0.39 1.0 1.00 0.02 0.02) = 0.043% HB2 HIS+ 14 - HD3 PRO 116 2.941% * 0.0410% (0.37 1.0 1.00 0.02 0.53) = 0.041% HB VAL 105 - HD3 PRO 112 2.941% * 0.0397% (0.36 1.0 1.00 0.02 0.02) = 0.040% HB3 GLU- 45 - HD3 PRO 116 2.941% * 0.0392% (0.35 1.0 1.00 0.02 0.02) = 0.039% HB2 HIS+ 14 - HD3 PRO 112 2.941% * 0.0381% (0.34 1.0 1.00 0.02 0.02) = 0.038% HB3 GLU- 45 - HD3 PRO 112 2.941% * 0.0364% (0.33 1.0 1.00 0.02 0.02) = 0.036% HG2 PRO 86 - HD3 PRO 112 2.941% * 0.0345% (0.31 1.0 1.00 0.02 0.02) = 0.035% HB3 GLU- 107 - HD3 PRO 116 2.941% * 0.0311% (0.28 1.0 1.00 0.02 0.02) = 0.031% HB3 GLU- 107 - HD3 PRO 112 2.941% * 0.0289% (0.26 1.0 1.00 0.02 0.02) = 0.029% HB3 LYS+ 110 - HD3 PRO 116 2.941% * 0.0230% (0.21 1.0 1.00 0.02 0.02) = 0.023% HB3 LYS+ 110 - HD3 PRO 112 2.941% * 0.0213% (0.19 1.0 1.00 0.02 0.02) = 0.021% HB3 GLU- 75 - HD3 PRO 116 2.941% * 0.0204% (0.18 1.0 1.00 0.02 0.02) = 0.020% HB3 GLU- 75 - HD3 PRO 112 2.941% * 0.0190% (0.17 1.0 1.00 0.02 0.02) = 0.019% HB VAL 62 - HD3 PRO 116 2.941% * 0.0128% (0.12 1.0 1.00 0.02 0.02) = 0.013% HB VAL 62 - HD3 PRO 112 2.941% * 0.0119% (0.11 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 86 - HD3 PRO 112 2.941% * 0.0119% (0.11 1.0 1.00 0.02 0.02) = 0.012% HB3 GLU- 10 - HD3 PRO 116 2.941% * 0.0069% (0.06 1.0 1.00 0.02 0.02) = 0.007% HB3 GLU- 10 - HD3 PRO 112 2.941% * 0.0064% (0.06 1.0 1.00 0.02 0.02) = 0.006% Peak 1313 (1.99, 3.62, 50.80 ppm): 13 chemical-shift based assignments, quality = 0.0872, support = 2.03, residual support = 17.2: O HG3 PRO 104 - HD2 PRO 104 7.692% * 82.3392% (0.08 10.0 2.27 20.15) = 82.339% kept HB VAL 105 - HD2 PRO 104 7.692% * 8.9761% (0.14 1.0 1.26 5.82) = 8.976% kept HB2 HIS+ 14 - HD2 PRO 104 7.692% * 5.3629% (0.15 1.0 0.71 0.02) = 5.363% kept HB3 PRO 112 - HD2 PRO 104 7.692% * 1.4018% (0.07 1.0 0.41 2.27) = 1.402% kept HB2 PRO 112 - HD2 PRO 104 7.692% * 1.1325% (0.05 1.0 0.41 2.27) = 1.132% kept HB2 LYS+ 108 - HD2 PRO 104 7.692% * 0.1903% (0.18 1.0 0.02 0.02) = 0.190% HG2 PRO 86 - HD2 PRO 104 7.692% * 0.1677% (0.16 1.0 0.02 0.02) = 0.168% HB2 GLU- 18 - HD2 PRO 104 7.692% * 0.1242% (0.12 1.0 0.02 0.02) = 0.124% HG2 GLU- 64 - HD2 PRO 104 7.692% * 0.1068% (0.10 1.0 0.02 0.02) = 0.107% HG2 PRO 116 - HD2 PRO 104 7.692% * 0.0748% (0.07 1.0 0.02 0.02) = 0.075% HB3 GLU- 75 - HD2 PRO 104 7.692% * 0.0469% (0.05 1.0 0.02 0.02) = 0.047% HB2 LYS+ 44 - HD2 PRO 104 7.692% * 0.0384% (0.04 1.0 0.02 0.02) = 0.038% HB3 PRO 31 - HD2 PRO 104 7.692% * 0.0384% (0.04 1.0 0.02 0.02) = 0.038% 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 = 2.39, residual support = 21.7: O HG3 PRO 31 - HD3 PRO 31 9.091% * 99.1947% (0.36 10.0 2.41 21.90) = 99.195% kept HB VAL 13 - HD3 PRO 31 9.091% * 0.1188% (0.43 1.0 0.02 0.02) = 0.119% HG3 PRO 116 - HD3 PRO 31 9.091% * 0.1185% (0.43 1.0 0.02 0.02) = 0.118% HB VAL 122 - HD3 PRO 31 9.091% * 0.1177% (0.42 1.0 0.02 0.02) = 0.118% HB3 GLU- 109 - HD3 PRO 31 9.091% * 0.1164% (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% HB2 GLU- 75 - HD3 PRO 31 9.091% * 0.0720% (0.26 1.0 0.02 0.02) = 0.072% HG3 PRO 104 - HD3 PRO 31 9.091% * 0.0672% (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): 30 chemical-shift based assignments, quality = 0.383, support = 2.2, residual support = 21.5: O HG2 PRO 31 - HD2 PRO 31 3.333% * 97.9978% (0.39 10.0 2.25 21.90) = 97.998% kept HB3 PRO 116 - HD2 PRO 104 3.333% * 0.1155% (0.46 1.0 0.02 0.02) = 0.116% HG2 PRO 31 - HD2 PRO 104 3.333% * 0.1153% (0.46 1.0 0.02 0.02) = 0.115% HB3 LYS+ 63 - HD2 PRO 104 3.333% * 0.1093% (0.44 1.0 0.02 0.02) = 0.109% HB3 PRO 116 - HD2 PRO 31 3.333% * 0.0982% (0.39 1.0 0.02 0.02) = 0.098% HB3 HIS+ 7 - HD2 PRO 104 3.333% * 0.0965% (0.39 1.0 0.02 0.02) = 0.096% HB3 LYS+ 63 - HD2 PRO 31 3.333% * 0.0929% (0.37 1.0 0.02 0.02) = 0.093% HB3 LYS+ 113 - HD2 PRO 104 3.333% * 0.0925% (0.37 1.0 0.02 0.02) = 0.092% HB2 LYS+ 117 - HD2 PRO 104 3.333% * 0.0925% (0.37 1.0 0.02 0.02) = 0.092% HB3 LYS+ 108 - HD2 PRO 104 3.333% * 0.0883% (0.35 1.0 0.02 0.02) = 0.088% HB3 ARG+ 53 - HD2 PRO 104 3.333% * 0.0883% (0.35 1.0 0.02 0.02) = 0.088% HB3 GLU- 18 - HD2 PRO 104 3.333% * 0.0883% (0.35 1.0 0.02 0.02) = 0.088% HB3 LYS+ 117 - HD2 PRO 104 3.333% * 0.0839% (0.33 1.0 0.02 0.02) = 0.084% HB3 HIS+ 7 - HD2 PRO 31 3.333% * 0.0820% (0.33 1.0 0.02 0.02) = 0.082% HB2 LYS+ 117 - HD2 PRO 31 3.333% * 0.0786% (0.31 1.0 0.02 0.02) = 0.079% HB3 LYS+ 113 - HD2 PRO 31 3.333% * 0.0786% (0.31 1.0 0.02 0.02) = 0.079% HB3 LYS+ 108 - HD2 PRO 31 3.333% * 0.0751% (0.30 1.0 0.02 0.02) = 0.075% HB3 ARG+ 53 - HD2 PRO 31 3.333% * 0.0751% (0.30 1.0 0.02 0.02) = 0.075% HB3 GLU- 18 - HD2 PRO 31 3.333% * 0.0751% (0.30 1.0 0.02 0.10) = 0.075% HB3 LYS+ 117 - HD2 PRO 31 3.333% * 0.0713% (0.28 1.0 0.02 0.02) = 0.071% HB3 LYS+ 44 - HD2 PRO 104 3.333% * 0.0701% (0.28 1.0 0.02 0.02) = 0.070% HB3 LYS+ 44 - HD2 PRO 31 3.333% * 0.0596% (0.24 1.0 0.02 0.13) = 0.060% HB2 ARG+ 84 - HD2 PRO 104 3.333% * 0.0288% (0.12 1.0 0.02 0.02) = 0.029% HB2 ARG+ 84 - HD2 PRO 31 3.333% * 0.0245% (0.10 1.0 0.02 0.02) = 0.024% HB2 GLU- 109 - HD2 PRO 104 3.333% * 0.0229% (0.09 1.0 0.02 0.02) = 0.023% HB2 HIS+ 7 - HD2 PRO 104 3.333% * 0.0229% (0.09 1.0 0.02 0.02) = 0.023% HB VAL 94 - HD2 PRO 104 3.333% * 0.0202% (0.08 1.0 0.02 1.22) = 0.020% HB2 GLU- 109 - HD2 PRO 31 3.333% * 0.0194% (0.08 1.0 0.02 0.02) = 0.019% HB2 HIS+ 7 - HD2 PRO 31 3.333% * 0.0194% (0.08 1.0 0.02 0.02) = 0.019% HB VAL 94 - HD2 PRO 31 3.333% * 0.0172% (0.07 1.0 0.02 0.02) = 0.017% Peak 1317 (1.78, 3.46, 50.99 ppm): 14 chemical-shift based assignments, quality = 0.428, support = 3.42, residual support = 21.7: O HG2 PRO 31 - HD3 PRO 31 7.143% * 99.1178% (0.43 10.0 3.45 21.90) = 99.118% kept HB3 ARG+ 53 - HD3 PRO 31 7.143% * 0.1103% (0.48 1.0 0.02 0.02) = 0.110% HB3 GLU- 18 - HD3 PRO 31 7.143% * 0.1103% (0.48 1.0 0.02 0.10) = 0.110% HB3 PRO 116 - HD3 PRO 31 7.143% * 0.1025% (0.45 1.0 0.02 0.02) = 0.102% HB3 LYS+ 63 - HD3 PRO 31 7.143% * 0.0830% (0.36 1.0 0.02 0.02) = 0.083% HB3 HIS+ 7 - HD3 PRO 31 7.143% * 0.0647% (0.28 1.0 0.02 0.02) = 0.065% HB3 LYS+ 113 - HD3 PRO 31 7.143% * 0.0601% (0.26 1.0 0.02 0.02) = 0.060% HB2 LYS+ 117 - HD3 PRO 31 7.143% * 0.0601% (0.26 1.0 0.02 0.02) = 0.060% HB3 LYS+ 108 - HD3 PRO 31 7.143% * 0.0556% (0.24 1.0 0.02 0.02) = 0.056% HB2 ARG+ 84 - HD3 PRO 31 7.143% * 0.0556% (0.24 1.0 0.02 0.02) = 0.056% HB3 LYS+ 117 - HD3 PRO 31 7.143% * 0.0512% (0.22 1.0 0.02 0.02) = 0.051% HB2 HIS+ 7 - HD3 PRO 31 7.143% * 0.0470% (0.20 1.0 0.02 0.02) = 0.047% HB VAL 94 - HD3 PRO 31 7.143% * 0.0429% (0.19 1.0 0.02 0.02) = 0.043% HB3 LYS+ 44 - HD3 PRO 31 7.143% * 0.0390% (0.17 1.0 0.02 0.13) = 0.039% Peak 1320 (4.55, 3.75, 50.58 ppm): 7 chemical-shift based assignments, quality = 0.39, support = 3.23, residual support = 13.5: HA ASN 89 - HD3 PRO 104 14.286% * 75.6056% (0.44 3.66 16.65) = 75.606% kept HA VAL 73 - HD3 PRO 104 14.286% * 19.2957% (0.17 2.42 4.67) = 19.296% kept HA THR 79 - HD3 PRO 104 14.286% * 3.0601% (0.81 0.08 0.02) = 3.060% kept HA LEU 17 - HD3 PRO 104 14.286% * 0.7648% (0.81 0.02 0.02) = 0.765% HA GLU- 10 - HD3 PRO 104 14.286% * 0.6875% (0.73 0.02 0.02) = 0.687% HA LYS+ 78 - HD3 PRO 104 14.286% * 0.3731% (0.40 0.02 0.02) = 0.373% HA LYS+ 72 - HD3 PRO 104 14.286% * 0.2131% (0.23 0.02 0.02) = 0.213% Peak 1321 (4.57, 3.61, 50.61 ppm): 8 chemical-shift based assignments, quality = 0.148, support = 3.7, residual support = 14.4: HA ASN 89 - HD2 PRO 104 12.500% * 82.1590% (0.17 3.97 16.65) = 82.159% kept HA VAL 73 - HD2 PRO 104 12.500% * 15.4765% (0.05 2.81 4.67) = 15.477% kept HA LYS+ 72 - HD2 PRO 104 12.500% * 0.8123% (0.34 0.02 0.02) = 0.812% HA LEU 9 - HD2 PRO 104 12.500% * 0.4938% (0.20 0.02 0.02) = 0.494% HA ASP- 25 - HD2 PRO 104 12.500% * 0.3650% (0.15 0.02 0.02) = 0.365% HA THR 79 - HD2 PRO 104 12.500% * 0.3055% (0.13 0.02 0.02) = 0.306% HA LEU 17 - HD2 PRO 104 12.500% * 0.2777% (0.12 0.02 0.02) = 0.278% HA GLU- 10 - HD2 PRO 104 12.500% * 0.1102% (0.05 0.02 0.02) = 0.110% Peak 1325 (3.62, 3.75, 50.58 ppm): 3 chemical-shift based assignments, quality = 0.604, support = 2.58, residual support = 9.07: HA ASN 89 - HD3 PRO 104 33.333% * 41.7661% (0.47 3.66 16.65) = 41.766% kept HA ILE 48 - HD3 PRO 104 33.333% * 35.2282% (0.67 2.14 4.53) = 35.228% kept HD2 PRO 112 - HD3 PRO 104 33.333% * 23.0056% (0.74 1.27 2.27) = 23.006% kept Peak 1326 (1.96, 3.75, 50.63 ppm): 11 chemical-shift based assignments, quality = 0.52, support = 3.12, residual support = 19.7: O HG3 PRO 104 - HD3 PRO 104 9.091% * 97.4383% (0.53 10.0 3.19 20.15) = 97.438% kept HG2 PRO 112 - HD3 PRO 104 9.091% * 1.4129% (0.35 1.0 0.44 2.27) = 1.413% kept HB VAL 13 - HD3 PRO 104 9.091% * 0.1721% (0.93 1.0 0.02 0.02) = 0.172% HG3 PRO 116 - HD3 PRO 104 9.091% * 0.1717% (0.93 1.0 0.02 0.02) = 0.172% HB VAL 122 - HD3 PRO 104 9.091% * 0.1706% (0.93 1.0 0.02 0.02) = 0.171% HB3 GLU- 109 - HD3 PRO 104 9.091% * 0.1687% (0.92 1.0 0.02 0.02) = 0.169% HG3 PRO 31 - HD3 PRO 104 9.091% * 0.1438% (0.78 1.0 0.02 0.02) = 0.144% HB3 LYS+ 55 - HD3 PRO 104 9.091% * 0.1378% (0.75 1.0 0.02 0.02) = 0.138% HB2 GLU- 75 - HD3 PRO 104 9.091% * 0.1044% (0.57 1.0 0.02 0.02) = 0.104% HB2 PRO 116 - HD3 PRO 104 9.091% * 0.0531% (0.29 1.0 0.02 0.02) = 0.053% HB2 LYS+ 108 - HD3 PRO 104 9.091% * 0.0266% (0.14 1.0 0.02 0.02) = 0.027% Peak 1327 (1.31, 3.75, 50.60 ppm): 6 chemical-shift based assignments, quality = 0.828, support = 2.47, residual support = 7.24: T QB ALA 103 - HD3 PRO 104 16.667% * 97.4320% (0.84 10.00 2.52 7.42) = 97.432% kept HG LEU 74 - HD3 PRO 104 16.667% * 2.4252% (0.56 1.00 0.74 0.59) = 2.425% kept QG2 THR 46 - HD3 PRO 104 16.667% * 0.0591% (0.51 1.00 0.02 0.02) = 0.059% HB2 LYS+ 55 - HD3 PRO 104 16.667% * 0.0366% (0.31 1.00 0.02 0.02) = 0.037% QB ALA 11 - HD3 PRO 104 16.667% * 0.0301% (0.26 1.00 0.02 0.02) = 0.030% HB2 LEU 17 - HD3 PRO 104 16.667% * 0.0171% (0.15 1.00 0.02 0.02) = 0.017% Peak 1328 (1.32, 3.60, 50.59 ppm): 6 chemical-shift based assignments, quality = 0.513, support = 2.08, residual support = 7.3: T QB ALA 103 - HD2 PRO 104 16.667% * 98.2813% (0.52 10.00 2.11 7.42) = 98.281% kept HG LEU 74 - HD2 PRO 104 16.667% * 1.5762% (0.35 1.00 0.48 0.59) = 1.576% kept QG2 THR 46 - HD2 PRO 104 16.667% * 0.0558% (0.29 1.00 0.02 0.02) = 0.056% QB ALA 11 - HD2 PRO 104 16.667% * 0.0336% (0.18 1.00 0.02 0.02) = 0.034% HB2 LYS+ 55 - HD2 PRO 104 16.667% * 0.0336% (0.18 1.00 0.02 0.02) = 0.034% HB2 LEU 17 - HD2 PRO 104 16.667% * 0.0195% (0.10 1.00 0.02 0.02) = 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): 9 chemical-shift based assignments, quality = 0.327, support = 0.189, residual support = 0.02: HD3 PRO 116 - HD3 PRO 59 11.111% * 34.5142% (0.35 0.25 0.02) = 34.514% kept HD3 PRO 112 - HD3 PRO 59 11.111% * 29.9131% (0.29 0.26 0.02) = 29.913% kept HB3 SER 41 - HD3 PRO 59 11.111% * 14.5902% (0.35 0.10 0.02) = 14.590% kept HA GLU- 45 - HD3 PRO 59 11.111% * 11.0108% (0.36 0.08 0.02) = 11.011% kept HA ASN 89 - HD3 PRO 59 11.111% * 2.6016% (0.33 0.02 0.02) = 2.602% kept HA2 GLY 92 - HD3 PRO 59 11.111% * 2.3100% (0.29 0.02 0.02) = 2.310% kept HA ILE 48 - HD3 PRO 59 11.111% * 1.9669% (0.25 0.02 0.02) = 1.967% kept HA VAL 13 - HD3 PRO 59 11.111% * 1.8333% (0.23 0.02 0.02) = 1.833% kept HA LYS+ 44 - HD3 PRO 59 11.111% * 1.2599% (0.16 0.02 0.02) = 1.260% kept Not enough support, support cutoff is 0.22 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 = 26.1: T HG LEU 74 - HB3 LEU 67 50.000% * 96.1555% (0.32 10.00 4.68 26.34) = 96.156% kept HB ILE 68 - HB3 LEU 67 50.000% * 3.8445% (0.11 1.00 2.39 20.60) = 3.844% 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 = 3.31, residual support = 27.6: O QD2 LEU 67 - HB3 LEU 67 11.111% * 74.1065% (0.39 10.0 1.00 2.84 28.16) = 74.107% kept T HG LEU 74 - HB3 LEU 67 11.111% * 25.5626% (0.14 1.0 10.00 4.68 26.34) = 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 0.02) = 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): 8 chemical-shift based assignments, quality = 0.678, support = 1.99, residual support = 12.6: O T HA2 GLY 71 - HA1 GLY 71 12.500% * 99.5606% (0.68 10.0 10.00 2.00 12.66) = 99.561% kept HA ASN 89 - HA1 GLY 71 12.500% * 0.0981% (0.67 1.0 1.00 0.02 0.02) = 0.098% HB2 SER 88 - HA1 GLY 71 12.500% * 0.0944% (0.65 1.0 1.00 0.02 0.02) = 0.094% HD2 PRO 59 - HA1 GLY 71 12.500% * 0.0921% (0.63 1.0 1.00 0.02 0.02) = 0.092% HA LYS+ 44 - HA1 GLY 71 12.500% * 0.0491% (0.34 1.0 1.00 0.02 0.14) = 0.049% HA ARG+ 53 - HA1 GLY 71 12.500% * 0.0486% (0.33 1.0 1.00 0.02 0.02) = 0.049% HB THR 106 - HA1 GLY 71 12.500% * 0.0374% (0.26 1.0 1.00 0.02 0.02) = 0.037% HA THR 46 - HA1 GLY 71 12.500% * 0.0197% (0.14 1.0 1.00 0.02 0.02) = 0.020% Peak 1372 (3.46, 4.14, 45.61 ppm): 7 chemical-shift based assignments, quality = 0.679, support = 1.99, residual support = 12.6: O T HA1 GLY 71 - HA2 GLY 71 14.286% * 99.7051% (0.68 10.0 10.00 2.00 12.66) = 99.705% kept HD3 PRO 31 - HA2 GLY 71 14.286% * 0.0986% (0.67 1.0 1.00 0.02 0.02) = 0.099% HA VAL 80 - HA2 GLY 71 14.286% * 0.0806% (0.55 1.0 1.00 0.02 0.02) = 0.081% HA ASN 89 - HA2 GLY 71 14.286% * 0.0407% (0.28 1.0 1.00 0.02 0.02) = 0.041% HA VAL 62 - HA2 GLY 71 14.286% * 0.0310% (0.21 1.0 1.00 0.02 0.92) = 0.031% HA ILE 48 - HA2 GLY 71 14.286% * 0.0264% (0.18 1.0 1.00 0.02 0.02) = 0.026% HA1 GLY 30 - HA2 GLY 71 14.286% * 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): 2 chemical-shift based assignments, quality = 0.325, support = 5.22, residual support = 51.8: O HN LEU 17 - HB2 LEU 17 50.000% * 99.9352% (0.33 10.0 5.23 51.85) = 99.935% kept HN MET 97 - HB2 LEU 17 50.000% * 0.0648% (0.21 1.0 0.02 0.02) = 0.065% Peak 1376 (8.46, 3.98, 45.56 ppm): 7 chemical-shift based assignments, quality = 0.401, support = 2.5, residual support = 8.53: O HN GLY 92 - HA1 GLY 92 14.286% * 99.5976% (0.40 10.0 2.51 8.56) = 99.598% kept HN LYS+ 113 - HA1 GLY 92 14.286% * 0.1138% (0.46 1.0 0.02 0.02) = 0.114% HN GLU- 107 - HA1 GLY 92 14.286% * 0.1138% (0.46 1.0 0.02 0.02) = 0.114% HN LEU 74 - HA1 GLY 92 14.286% * 0.0834% (0.34 1.0 0.02 0.02) = 0.083% HN GLU- 18 - HA1 GLY 92 14.286% * 0.0472% (0.19 1.0 0.02 0.02) = 0.047% HN GLU- 10 - HA1 GLY 92 14.286% * 0.0286% (0.12 1.0 0.02 0.02) = 0.029% HN ARG+ 53 - HA1 GLY 92 14.286% * 0.0155% (0.06 1.0 0.02 0.02) = 0.016% Peak 1377 (8.39, 4.13, 45.59 ppm): 3 chemical-shift based assignments, quality = 0.296, support = 3.11, residual support = 12.6: O HN GLY 71 - HA2 GLY 71 33.333% * 99.8623% (0.30 10.0 3.11 12.66) = 99.862% kept HN ALA 103 - HA2 GLY 71 33.333% * 0.0920% (0.27 1.0 0.02 0.02) = 0.092% HN LYS+ 108 - HA2 GLY 71 33.333% * 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 = 3.12, residual support = 12.6: O HN GLY 71 - HA1 GLY 71 33.333% * 99.8560% (0.30 10.0 3.13 12.66) = 99.856% kept HN ALA 103 - HA1 GLY 71 33.333% * 0.0932% (0.28 1.0 0.02 0.02) = 0.093% HN LYS+ 108 - HA1 GLY 71 33.333% * 0.0508% (0.15 1.0 0.02 0.02) = 0.051% Peak 1379 (8.30, 2.39, 45.43 ppm): 8 chemical-shift based assignments, quality = 0.343, support = 3.39, residual support = 32.8: O HN ASP- 28 - HB3 ASP- 28 12.500% * 98.5491% (0.35 10.0 3.44 33.29) = 98.549% kept HN VAL 99 - HB3 ASP- 28 12.500% * 0.9726% (0.31 1.0 0.22 0.30) = 0.973% HN ALA 91 - HB3 ASP- 28 12.500% * 0.1357% (0.48 1.0 0.02 0.02) = 0.136% HN LEU 9 - HB3 ASP- 28 12.500% * 0.1310% (0.46 1.0 0.02 0.02) = 0.131% HN HIS+ 8 - HB3 ASP- 28 12.500% * 0.0932% (0.33 1.0 0.02 0.02) = 0.093% HN ASN 89 - HB3 ASP- 28 12.500% * 0.0463% (0.16 1.0 0.02 1.11) = 0.046% HN ASN 76 - HB3 ASP- 28 12.500% * 0.0419% (0.15 1.0 0.02 0.02) = 0.042% HN GLY 114 - HB3 ASP- 28 12.500% * 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 = 2.51, residual support = 4.86: O HN GLY 26 - HA1 GLY 26 12.500% * 50.6844% (0.36 10.0 2.51 4.87) = 50.684% kept O HN GLY 26 - HA2 GLY 26 12.500% * 49.0024% (0.35 10.0 2.51 4.87) = 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 = 3.57, residual support = 33.3: O T HA ASP- 28 - HB3 ASP- 28 100.000% *100.0000% (0.32 10.0 10.00 3.57 33.29) = 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 = 33.3: O T HA ASP- 28 - HB2 ASP- 28 100.000% *100.0000% (0.39 10.0 10.00 3.00 33.29) = 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): 8 chemical-shift based assignments, quality = 0.527, support = 5.17, residual support = 49.2: O HA LEU 17 - HB2 LEU 17 12.500% * 94.6915% (0.54 10.0 5.37 51.85) = 94.692% kept HA ASN 89 - HB2 LEU 17 12.500% * 5.0248% (0.33 1.0 1.75 2.91) = 5.025% kept HA THR 79 - HB2 LEU 17 12.500% * 0.0979% (0.56 1.0 0.02 0.02) = 0.098% HA LYS+ 72 - HB2 LEU 17 12.500% * 0.0662% (0.38 1.0 0.02 0.02) = 0.066% HA GLU- 10 - HB2 LEU 17 12.500% * 0.0618% (0.35 1.0 0.02 0.02) = 0.062% HA LYS+ 78 - HB2 LEU 17 12.500% * 0.0216% (0.12 1.0 0.02 0.02) = 0.022% HA VAL 73 - HB2 LEU 17 12.500% * 0.0193% (0.11 1.0 0.02 0.32) = 0.019% HA LEU 9 - HB2 LEU 17 12.500% * 0.0168% (0.10 1.0 0.02 0.02) = 0.017% 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): 4 chemical-shift based assignments, quality = 0.447, support = 1.5, residual support = 3.85: T HA ASN 89 - HA2 GLY 26 25.000% * 79.2926% (0.45 10.00 1.49 4.26) = 79.293% kept HA ASN 89 - HA1 GLY 26 25.000% * 11.0046% (0.43 1.00 2.14 4.26) = 11.005% kept HA ILE 48 - HA2 GLY 26 25.000% * 4.9193% (0.48 1.00 0.86 0.02) = 4.919% kept HA ILE 48 - HA1 GLY 26 25.000% * 4.7835% (0.47 1.00 0.86 0.02) = 4.784% 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 = 0.39, support = 2.69, residual support = 22.8: O T HB3 ASP- 28 - HB2 ASP- 28 33.333% * 68.2592% (0.38 10.0 10.00 3.57 33.29) = 68.259% kept T HB2 LYS+ 78 - HB2 ASP- 28 33.333% * 29.4381% (0.41 1.0 10.00 0.80 0.28) = 29.438% kept HA1 GLY 58 - HB2 ASP- 28 33.333% * 2.3027% (0.28 1.0 1.00 0.92 0.02) = 2.303% kept Peak 1393 (2.13, 2.38, 45.41 ppm): 9 chemical-shift based assignments, quality = 0.397, support = 3.54, residual support = 33.0: O T HB2 ASP- 28 - HB3 ASP- 28 11.111% * 99.0614% (0.40 10.0 10.00 3.57 33.29) = 99.061% kept HB3 GLU- 75 - HB3 ASP- 28 11.111% * 0.5902% (0.32 1.0 1.00 0.15 0.02) = 0.590% HB VAL 47 - HB3 ASP- 28 11.111% * 0.0991% (0.40 1.0 1.00 0.02 0.02) = 0.099% HG3 GLN 102 - HB3 ASP- 28 11.111% * 0.0896% (0.36 1.0 1.00 0.02 0.02) = 0.090% HB3 LYS+ 78 - HB3 ASP- 28 11.111% * 0.0647% (0.26 1.0 1.00 0.02 0.28) = 0.065% HG3 GLU- 56 - HB3 ASP- 28 11.111% * 0.0308% (0.12 1.0 1.00 0.02 0.02) = 0.031% HB3 LEU 43 - HB3 ASP- 28 11.111% * 0.0278% (0.11 1.0 1.00 0.02 0.02) = 0.028% HA1 GLY 58 - HB3 ASP- 28 11.111% * 0.0229% (0.09 1.0 1.00 0.02 0.02) = 0.023% HG2 PRO 104 - HB3 ASP- 28 11.111% * 0.0135% (0.05 1.0 1.00 0.02 0.02) = 0.014% 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): 7 chemical-shift based assignments, quality = 0.322, support = 1.14, residual support = 5.34: HB3 GLU- 18 - HB2 LEU 17 14.286% * 36.8816% (0.16 2.25 14.21) = 36.882% kept HB3 GLU- 50 - HB2 LEU 17 14.286% * 24.8734% (0.33 0.75 0.32) = 24.873% kept HB VAL 94 - HB2 LEU 17 14.286% * 22.9848% (0.52 0.44 0.02) = 22.985% kept HB2 ARG+ 84 - HB2 LEU 17 14.286% * 7.2067% (0.47 0.15 0.13) = 7.207% kept HB2 HIS+ 7 - HB2 LEU 17 14.286% * 4.7832% (0.50 0.09 0.02) = 4.783% kept HB ILE 48 - HB2 LEU 17 14.286% * 2.9430% (0.10 0.29 0.02) = 2.943% kept HB3 ARG+ 53 - HB2 LEU 17 14.286% * 0.3273% (0.16 0.02 0.02) = 0.327% 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): 12 chemical-shift based assignments, quality = 0.337, support = 4.51, residual support = 49.1: O HG LEU 17 - HB2 LEU 17 8.333% * 69.3612% (0.40 10.0 4.43 51.85) = 69.361% kept O HB3 LEU 17 - HB2 LEU 17 8.333% * 25.2346% (0.15 10.0 5.43 51.85) = 25.235% kept HB ILE 19 - HB2 LEU 17 8.333% * 5.0549% (0.42 1.0 1.39 0.67) = 5.055% kept HB3 LYS+ 32 - HB2 LEU 17 8.333% * 0.0787% (0.46 1.0 0.02 0.10) = 0.079% HG3 LYS+ 60 - HB2 LEU 17 8.333% * 0.0758% (0.44 1.0 0.02 0.02) = 0.076% HD3 LYS+ 60 - HB2 LEU 17 8.333% * 0.0623% (0.36 1.0 0.02 0.02) = 0.062% HD3 LYS+ 32 - HB2 LEU 17 8.333% * 0.0341% (0.20 1.0 0.02 0.10) = 0.034% HB3 LEU 90 - HB2 LEU 17 8.333% * 0.0252% (0.15 1.0 0.02 2.76) = 0.025% HB3 LEU 9 - HB2 LEU 17 8.333% * 0.0252% (0.15 1.0 0.02 0.02) = 0.025% HG13 ILE 29 - HB2 LEU 17 8.333% * 0.0180% (0.10 1.0 0.02 5.11) = 0.018% HG3 LYS+ 110 - HB2 LEU 17 8.333% * 0.0159% (0.09 1.0 0.02 0.02) = 0.016% HG2 LYS+ 110 - HB2 LEU 17 8.333% * 0.0140% (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 = 0.546, support = 3.68, residual support = 48.3: O QD1 LEU 17 - HB2 LEU 17 6.667% * 93.0164% (0.56 10.0 3.82 51.85) = 93.016% kept HG LEU 74 - HB2 LEU 17 6.667% * 6.3521% (0.38 1.0 2.01 1.52) = 6.352% kept QG1 VAL 105 - HB2 LEU 17 6.667% * 0.0908% (0.55 1.0 0.02 0.02) = 0.091% QG2 VAL 99 - HB2 LEU 17 6.667% * 0.0853% (0.51 1.0 0.02 0.02) = 0.085% QG2 VAL 73 - HB2 LEU 17 6.667% * 0.0821% (0.49 1.0 0.02 0.32) = 0.082% HG12 ILE 29 - HB2 LEU 17 6.667% * 0.0636% (0.38 1.0 0.02 5.11) = 0.064% QG2 VAL 62 - HB2 LEU 17 6.667% * 0.0596% (0.36 1.0 0.02 0.02) = 0.060% HG12 ILE 68 - HB2 LEU 17 6.667% * 0.0517% (0.31 1.0 0.02 0.02) = 0.052% QG2 ILE 29 - HB2 LEU 17 6.667% * 0.0517% (0.31 1.0 0.02 5.11) = 0.052% HG3 LYS+ 63 - HB2 LEU 17 6.667% * 0.0404% (0.24 1.0 0.02 0.02) = 0.040% HG13 ILE 68 - HB2 LEU 17 6.667% * 0.0273% (0.16 1.0 0.02 0.02) = 0.027% QG2 VAL 87 - HB2 LEU 17 6.667% * 0.0245% (0.15 1.0 0.02 0.02) = 0.025% QD1 LEU 67 - HB2 LEU 17 6.667% * 0.0219% (0.13 1.0 0.02 0.02) = 0.022% QG1 VAL 47 - HB2 LEU 17 6.667% * 0.0172% (0.10 1.0 0.02 0.02) = 0.017% QG2 VAL 105 - HB2 LEU 17 6.667% * 0.0152% (0.09 1.0 0.02 0.02) = 0.015% 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): 13 chemical-shift based assignments, quality = 0.308, support = 0.761, residual support = 0.0958: T HB THR 96 - HA1 GLY 114 7.692% * 61.6874% (0.26 10.00 0.99 0.02) = 61.687% kept T HA LYS+ 44 - HA1 GLY 114 7.692% * 25.0805% (0.41 10.00 0.25 0.02) = 25.081% kept HA ASN 89 - HA1 GLY 114 7.692% * 9.2699% (0.46 1.00 0.83 0.84) = 9.270% kept HA LEU 74 - HA1 GLY 114 7.692% * 1.6146% (0.22 1.00 0.30 0.02) = 1.615% kept HD2 PRO 116 - HA1 GLY 114 7.692% * 1.4497% (0.11 1.00 0.55 0.02) = 1.450% kept HB2 SER 77 - HA1 GLY 114 7.692% * 0.2372% (0.49 1.00 0.02 0.02) = 0.237% HA THR 96 - HA1 GLY 114 7.692% * 0.2330% (0.48 1.00 0.02 0.02) = 0.233% HB3 SER 77 - HA1 GLY 114 7.692% * 0.1133% (0.23 1.00 0.02 0.02) = 0.113% HB3 CYS 121 - HA1 GLY 114 7.692% * 0.0811% (0.17 1.00 0.02 0.02) = 0.081% HA ILE 48 - HA1 GLY 114 7.692% * 0.0663% (0.14 1.00 0.02 0.02) = 0.066% HD2 PRO 86 - HA1 GLY 114 7.692% * 0.0661% (0.14 1.00 0.02 0.02) = 0.066% HA VAL 122 - HA1 GLY 114 7.692% * 0.0593% (0.12 1.00 0.02 0.02) = 0.059% HA VAL 125 - HA1 GLY 114 7.692% * 0.0416% (0.09 1.00 0.02 0.02) = 0.042% 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 0.22 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 0.22 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): 16 chemical-shift based assignments, quality = 0.383, support = 1.48, residual support = 23.3: O HB2 ARG+ 84 - HD3 ARG+ 84 6.250% * 73.8385% (0.45 10.0 1.59 27.95) = 73.838% kept O HB3 ARG+ 53 - HD2 ARG+ 53 6.250% * 25.5048% (0.21 10.0 1.17 10.62) = 25.505% kept HB2 HIS+ 7 - HD3 ARG+ 84 6.250% * 0.0919% (0.44 1.0 0.02 0.02) = 0.092% HB VAL 94 - HD3 ARG+ 84 6.250% * 0.0909% (0.44 1.0 0.02 0.02) = 0.091% HB2 ARG+ 84 - HD2 ARG+ 53 6.250% * 0.0672% (0.32 1.0 0.02 0.02) = 0.067% HB2 HIS+ 7 - HD2 ARG+ 53 6.250% * 0.0666% (0.32 1.0 0.02 0.02) = 0.067% HB VAL 94 - HD2 ARG+ 53 6.250% * 0.0658% (0.32 1.0 0.02 0.02) = 0.066% HB3 GLU- 18 - HD3 ARG+ 84 6.250% * 0.0600% (0.29 1.0 0.02 0.02) = 0.060% HB3 ARG+ 53 - HD3 ARG+ 84 6.250% * 0.0600% (0.29 1.0 0.02 0.02) = 0.060% HB3 GLU- 18 - HD2 ARG+ 53 6.250% * 0.0434% (0.21 1.0 0.02 0.02) = 0.043% HB3 PRO 116 - HD3 ARG+ 84 6.250% * 0.0231% (0.11 1.0 0.02 0.02) = 0.023% HB3 GLU- 50 - HD3 ARG+ 84 6.250% * 0.0206% (0.10 1.0 0.02 0.02) = 0.021% HG2 PRO 31 - HD3 ARG+ 84 6.250% * 0.0206% (0.10 1.0 0.02 0.02) = 0.021% HB3 PRO 116 - HD2 ARG+ 53 6.250% * 0.0167% (0.08 1.0 0.02 0.02) = 0.017% HB3 GLU- 50 - HD2 ARG+ 53 6.250% * 0.0150% (0.07 1.0 0.02 0.02) = 0.015% HG2 PRO 31 - HD2 ARG+ 53 6.250% * 0.0150% (0.07 1.0 0.02 0.02) = 0.015% Peak 1419 (0.93, 3.17, 43.84 ppm): 30 chemical-shift based assignments, quality = 0.253, support = 0.262, residual support = 0.381: HG LEU 74 - HD3 ARG+ 84 3.333% * 29.9343% (0.35 0.43 1.15) = 29.934% kept HG12 ILE 68 - HD3 ARG+ 84 3.333% * 12.0903% (0.24 0.25 0.02) = 12.090% kept QD1 LEU 67 - HD3 ARG+ 84 3.333% * 10.7922% (0.15 0.36 0.22) = 10.792% kept QG1 VAL 47 - HD3 ARG+ 84 3.333% * 9.6530% (0.12 0.40 0.02) = 9.653% kept QG2 VAL 73 - HD3 ARG+ 84 3.333% * 7.6217% (0.49 0.08 0.02) = 7.622% kept HG13 ILE 68 - HD3 ARG+ 84 3.333% * 7.4086% (0.18 0.20 0.02) = 7.409% kept QG2 VAL 87 - HD3 ARG+ 84 3.333% * 2.6301% (0.17 0.08 0.02) = 2.630% kept QG2 VAL 99 - HD3 ARG+ 84 3.333% * 2.0119% (0.50 0.02 0.02) = 2.012% kept QD1 LEU 17 - HD3 ARG+ 84 3.333% * 1.9546% (0.49 0.02 0.13) = 1.955% kept QG2 VAL 105 - HD3 ARG+ 84 3.333% * 1.9120% (0.11 0.09 0.02) = 1.912% kept QG1 VAL 105 - HD3 ARG+ 84 3.333% * 1.8905% (0.47 0.02 0.02) = 1.891% kept HG12 ILE 29 - HD3 ARG+ 84 3.333% * 1.2339% (0.31 0.02 0.02) = 1.234% kept QG2 VAL 62 - HD3 ARG+ 84 3.333% * 1.1467% (0.29 0.02 0.02) = 1.147% kept QG2 ILE 29 - HD3 ARG+ 84 3.333% * 0.9771% (0.24 0.02 0.02) = 0.977% QG2 VAL 99 - HD2 ARG+ 53 3.333% * 0.9348% (0.23 0.02 0.02) = 0.935% QD1 LEU 17 - HD2 ARG+ 53 3.333% * 0.9082% (0.23 0.02 0.02) = 0.908% QG2 VAL 73 - HD2 ARG+ 53 3.333% * 0.9082% (0.23 0.02 0.02) = 0.908% QG1 VAL 105 - HD2 ARG+ 53 3.333% * 0.8784% (0.22 0.02 0.02) = 0.878% HG3 LYS+ 63 - HD3 ARG+ 84 3.333% * 0.7434% (0.18 0.02 0.02) = 0.743% HG LEU 74 - HD2 ARG+ 53 3.333% * 0.6448% (0.16 0.02 0.02) = 0.645% HG12 ILE 29 - HD2 ARG+ 53 3.333% * 0.5733% (0.14 0.02 0.02) = 0.573% QG2 VAL 62 - HD2 ARG+ 53 3.333% * 0.5328% (0.13 0.02 0.02) = 0.533% HG12 ILE 68 - HD2 ARG+ 53 3.333% * 0.4540% (0.11 0.02 0.02) = 0.454% QG2 ILE 29 - HD2 ARG+ 53 3.333% * 0.4540% (0.11 0.02 0.02) = 0.454% HG3 LYS+ 63 - HD2 ARG+ 53 3.333% * 0.3454% (0.09 0.02 0.02) = 0.345% HG13 ILE 68 - HD2 ARG+ 53 3.333% * 0.3454% (0.09 0.02 0.02) = 0.345% QG2 VAL 87 - HD2 ARG+ 53 3.333% * 0.3126% (0.08 0.02 0.02) = 0.313% QD1 LEU 67 - HD2 ARG+ 53 3.333% * 0.2816% (0.07 0.02 0.02) = 0.282% QG1 VAL 47 - HD2 ARG+ 53 3.333% * 0.2255% (0.06 0.02 0.02) = 0.225% QG2 VAL 105 - HD2 ARG+ 53 3.333% * 0.2004% (0.05 0.02 0.02) = 0.200% Not enough total support, support cutoff is 0.44 Peak unassigned. 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): 15 chemical-shift based assignments, quality = 0.621, support = 1.14, residual support = 10.3: O HB3 ARG+ 53 - HD3 ARG+ 53 6.667% * 97.4678% (0.64 10.0 1.17 10.62) = 97.468% kept HB2 ARG+ 84 - HD3 ARG+ 53 6.667% * 0.7456% (0.22 1.0 0.26 0.02) = 0.746% HB3 PRO 116 - HD3 ARG+ 53 6.667% * 0.2069% (0.79 1.0 0.02 0.02) = 0.207% HG2 PRO 31 - HD3 ARG+ 53 6.667% * 0.2055% (0.79 1.0 0.02 0.02) = 0.206% HB3 LYS+ 63 - HD3 ARG+ 53 6.667% * 0.1914% (0.73 1.0 0.02 0.02) = 0.191% HB3 GLU- 18 - HD3 ARG+ 53 6.667% * 0.1660% (0.64 1.0 0.02 0.02) = 0.166% HB3 HIS+ 7 - HD3 ARG+ 53 6.667% * 0.1660% (0.64 1.0 0.02 0.02) = 0.166% HB2 LYS+ 117 - HD3 ARG+ 53 6.667% * 0.1585% (0.61 1.0 0.02 0.02) = 0.158% HB3 LYS+ 113 - HD3 ARG+ 53 6.667% * 0.1585% (0.61 1.0 0.02 0.02) = 0.158% HB3 LYS+ 108 - HD3 ARG+ 53 6.667% * 0.1506% (0.58 1.0 0.02 0.02) = 0.151% HB3 LYS+ 117 - HD3 ARG+ 53 6.667% * 0.1424% (0.55 1.0 0.02 0.02) = 0.142% HB3 LYS+ 44 - HD3 ARG+ 53 6.667% * 0.1174% (0.45 1.0 0.02 0.02) = 0.117% HB2 HIS+ 7 - HD3 ARG+ 53 6.667% * 0.0462% (0.18 1.0 0.02 0.02) = 0.046% HB VAL 94 - HD3 ARG+ 53 6.667% * 0.0410% (0.16 1.0 0.02 0.02) = 0.041% HB2 GLU- 109 - HD3 ARG+ 53 6.667% * 0.0363% (0.14 1.0 0.02 0.02) = 0.036% Peak 1443 (0.75, 2.64, 43.40 ppm): 8 chemical-shift based assignments, quality = 0.195, support = 0.849, residual support = 1.5: HG3 LYS+ 44 - HA1 GLY 58 12.500% * 36.6512% (0.23 1.18 3.29) = 36.651% kept QD1 LEU 9 - HA1 GLY 58 12.500% * 25.4917% (0.23 0.82 0.48) = 25.492% kept HG12 ILE 100 - HA1 GLY 58 12.500% * 13.6854% (0.13 0.78 0.77) = 13.685% kept QD2 LEU 9 - HA1 GLY 58 12.500% * 10.5321% (0.17 0.47 0.48) = 10.532% kept QD1 ILE 68 - HA1 GLY 58 12.500% * 7.9488% (0.17 0.35 0.02) = 7.949% kept HG LEU 74 - HA1 GLY 58 12.500% * 4.6817% (0.06 0.56 0.39) = 4.682% kept HG3 LYS+ 66 - HA1 GLY 58 12.500% * 0.7442% (0.28 0.02 0.02) = 0.744% QG2 VAL 40 - HA1 GLY 58 12.500% * 0.2648% (0.10 0.02 0.02) = 0.265% Not enough quality. Peak unassigned. Peak 1444 (0.74, 2.46, 43.39 ppm): 8 chemical-shift based assignments, quality = 0.174, support = 0.798, residual support = 1.26: QD1 LEU 9 - HA1 GLY 58 12.500% * 31.0263% (0.24 0.82 0.48) = 31.026% kept HG3 LYS+ 44 - HA1 GLY 58 12.500% * 29.1152% (0.15 1.18 3.29) = 29.115% kept QD2 LEU 9 - HA1 GLY 58 12.500% * 14.0104% (0.19 0.47 0.48) = 14.010% kept QD1 ILE 68 - HA1 GLY 58 12.500% * 10.5740% (0.19 0.35 0.02) = 10.574% kept HG12 ILE 100 - HA1 GLY 58 12.500% * 9.4303% (0.08 0.78 0.77) = 9.430% kept HG LEU 74 - HA1 GLY 58 12.500% * 4.6084% (0.05 0.56 0.39) = 4.608% kept HG3 LYS+ 66 - HA1 GLY 58 12.500% * 0.8436% (0.26 0.02 0.02) = 0.844% QG2 VAL 40 - HA1 GLY 58 12.500% * 0.3919% (0.12 0.02 0.02) = 0.392% Not enough quality. Peak unassigned. Peak 1450 (9.04, 3.48, 42.73 ppm): 2 chemical-shift based assignments, quality = 0.442, support = 2.47, residual support = 6.94: O HN GLY 30 - HA1 GLY 30 50.000% * 99.5584% (0.44 10.0 2.48 6.97) = 99.558% kept HN THR 79 - HA1 GLY 30 50.000% * 0.4416% (0.48 1.0 0.08 0.02) = 0.442% Peak 1451 (8.25, 2.79, 42.86 ppm): 22 chemical-shift based assignments, quality = 0.215, support = 2.14, residual support = 11.2: O HN GLY 58 - HA1 GLY 58 4.545% * 55.6856% (0.22 10.0 2.86 11.87) = 55.686% kept O HN GLY 58 - HA2 GLY 58 4.545% * 38.2924% (0.22 10.0 1.38 11.87) = 38.292% kept HN GLN 16 - HA1 GLY 58 4.545% * 2.7115% (0.36 1.0 0.59 0.59) = 2.712% kept HN SER 49 - HA1 GLY 58 4.545% * 0.7781% (0.15 1.0 0.40 0.02) = 0.778% HN LEU 67 - HA1 GLY 58 4.545% * 0.6833% (0.27 1.0 0.20 0.02) = 0.683% HN ASN 89 - HA1 GLY 58 4.545% * 0.5700% (0.14 1.0 0.32 0.02) = 0.570% HN THR 106 - HA1 GLY 58 4.545% * 0.1144% (0.45 1.0 0.02 0.02) = 0.114% HN THR 106 - HA2 GLY 58 4.545% * 0.1139% (0.45 1.0 0.02 0.02) = 0.114% HN ASP- 115 - HA1 GLY 58 4.545% * 0.1134% (0.45 1.0 0.02 0.02) = 0.113% HN ASP- 115 - HA2 GLY 58 4.545% * 0.1129% (0.44 1.0 0.02 0.02) = 0.113% HN GLN 16 - HA2 GLY 58 4.545% * 0.0912% (0.36 1.0 0.02 0.59) = 0.091% HN GLU- 12 - HA1 GLY 58 4.545% * 0.0831% (0.33 1.0 0.02 0.02) = 0.083% HN GLU- 12 - HA2 GLY 58 4.545% * 0.0827% (0.33 1.0 0.02 0.02) = 0.083% HN HIS+ 7 - HA1 GLY 58 4.545% * 0.0786% (0.31 1.0 0.02 0.02) = 0.079% HN HIS+ 7 - HA2 GLY 58 4.545% * 0.0782% (0.31 1.0 0.02 0.02) = 0.078% HN LYS+ 81 - HA1 GLY 58 4.545% * 0.0694% (0.27 1.0 0.02 0.02) = 0.069% HN LEU 67 - HA2 GLY 58 4.545% * 0.0691% (0.27 1.0 0.02 0.02) = 0.069% HN LYS+ 81 - HA2 GLY 58 4.545% * 0.0691% (0.27 1.0 0.02 0.02) = 0.069% HN MET 118 - HA1 GLY 58 4.545% * 0.0648% (0.25 1.0 0.02 0.02) = 0.065% HN MET 118 - HA2 GLY 58 4.545% * 0.0645% (0.25 1.0 0.02 0.02) = 0.064% HN SER 49 - HA2 GLY 58 4.545% * 0.0388% (0.15 1.0 0.02 0.02) = 0.039% HN ASN 89 - HA2 GLY 58 4.545% * 0.0351% (0.14 1.0 0.02 0.02) = 0.035% Peak 1452 (8.25, 2.22, 42.86 ppm): 11 chemical-shift based assignments, quality = 0.101, support = 2.68, residual support = 11.0: O HN GLY 58 - HA1 GLY 58 9.091% * 92.6100% (0.10 10.0 2.86 11.87) = 92.610% kept HN GLN 16 - HA1 GLY 58 9.091% * 3.5159% (0.13 1.0 0.59 0.59) = 3.516% kept HN SER 49 - HA1 GLY 58 9.091% * 1.3408% (0.07 1.0 0.40 0.02) = 1.341% kept HN LEU 67 - HA1 GLY 58 9.091% * 1.1065% (0.12 1.0 0.20 0.02) = 1.106% kept HN ASN 89 - HA1 GLY 58 9.091% * 0.6584% (0.04 1.0 0.32 0.02) = 0.658% HN THR 106 - HA1 GLY 58 9.091% * 0.1621% (0.18 1.0 0.02 0.02) = 0.162% HN ASP- 115 - HA1 GLY 58 9.091% * 0.1579% (0.17 1.0 0.02 0.02) = 0.158% HN GLU- 12 - HA1 GLY 58 9.091% * 0.1310% (0.14 1.0 0.02 0.02) = 0.131% HN LYS+ 81 - HA1 GLY 58 9.091% * 0.1124% (0.12 1.0 0.02 0.02) = 0.112% HN MET 118 - HA1 GLY 58 9.091% * 0.1058% (0.12 1.0 0.02 0.02) = 0.106% HN HIS+ 7 - HA1 GLY 58 9.091% * 0.0992% (0.11 1.0 0.02 0.02) = 0.099% Peak 1454 (7.33, 2.60, 42.79 ppm): 12 chemical-shift based assignments, quality = 0.568, support = 3.13, residual support = 43.2: O QD PHE 34 - HB2 PHE 34 8.333% * 72.4020% (0.54 10.0 3.55 45.31) = 72.402% kept QE PHE 34 - HB2 PHE 34 8.333% * 13.0403% (0.74 1.0 2.62 45.31) = 13.040% kept HZ PHE 34 - HB2 PHE 34 8.333% * 9.7699% (0.74 1.0 1.96 45.31) = 9.770% kept HZ2 TRP 51 - HA1 GLY 58 8.333% * 2.0741% (0.31 1.0 0.99 3.79) = 2.074% kept HZ PHE 34 - HA1 GLY 58 8.333% * 0.9075% (0.31 1.0 0.43 0.11) = 0.908% QE PHE 34 - HA1 GLY 58 8.333% * 0.8702% (0.31 1.0 0.42 0.11) = 0.870% QD PHE 34 - HA1 GLY 58 8.333% * 0.6590% (0.23 1.0 0.43 0.11) = 0.659% HZ2 TRP 51 - HB2 PHE 34 8.333% * 0.0997% (0.74 1.0 0.02 0.02) = 0.100% HN VAL 47 - HB2 PHE 34 8.333% * 0.0645% (0.48 1.0 0.02 0.02) = 0.065% HN ARG+ 84 - HB2 PHE 34 8.333% * 0.0605% (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 0.10) = 0.025% Peak 1455 (4.98, 3.48, 42.75 ppm): 2 chemical-shift based assignments, quality = 0.263, support = 0.765, residual support = 0.634: HA ILE 68 - HA1 GLY 30 50.000% * 87.4705% (0.29 0.82 0.72) = 87.470% kept HA PHE 34 - HA1 GLY 30 50.000% * 12.5295% (0.09 0.37 0.02) = 12.530% kept Peak 1456 (4.73, 3.48, 42.75 ppm): 7 chemical-shift based assignments, quality = 0.366, support = 2.59, residual support = 8.11: O HA PRO 31 - HA1 GLY 30 14.286% * 62.8823% (0.43 10.0 2.61 8.81) = 62.882% kept O HA2 GLY 30 - HA1 GLY 30 14.286% * 36.8897% (0.25 10.0 2.57 6.97) = 36.890% kept HA HIS+ 7 - HA1 GLY 30 14.286% * 0.0794% (0.55 1.0 0.02 0.02) = 0.079% HA MET 118 - HA1 GLY 30 14.286% * 0.0433% (0.30 1.0 0.02 0.02) = 0.043% HA HIS+ 5 - HA1 GLY 30 14.286% * 0.0433% (0.30 1.0 0.02 0.02) = 0.043% HA VAL 40 - HA1 GLY 30 14.286% * 0.0369% (0.25 1.0 0.02 0.02) = 0.037% HA ASN 89 - HA1 GLY 30 14.286% * 0.0252% (0.17 1.0 0.02 0.02) = 0.025% 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 = 0.162, support = 1.31, residual support = 2.61: HB2 PRO 104 - HA1 GLY 58 12.500% * 64.2224% (0.20 1.76 4.03) = 64.222% kept HG3 PRO 112 - HA1 GLY 58 12.500% * 13.9701% (0.11 0.67 0.11) = 13.970% kept HB3 PRO 59 - HA1 GLY 58 12.500% * 7.5976% (0.11 0.37 0.02) = 7.598% kept HB3 ARG+ 84 - HA1 GLY 58 12.500% * 6.2384% (0.05 0.68 0.10) = 6.238% kept HB2 PRO 59 - HA1 GLY 58 12.500% * 5.0365% (0.07 0.37 0.02) = 5.037% kept HB2 LYS+ 66 - HA1 GLY 58 12.500% * 2.0455% (0.14 0.08 0.02) = 2.045% kept HB3 LYS+ 72 - HA1 GLY 58 12.500% * 0.7264% (0.20 0.02 0.02) = 0.726% HG3 LYS+ 120 - HA1 GLY 58 12.500% * 0.1632% (0.04 0.02 0.02) = 0.163% Not enough quality. Peak unassigned. Peak 1470 (1.80, 2.79, 42.90 ppm): 30 chemical-shift based assignments, quality = 0.441, support = 0.466, residual support = 0.911: HB3 LYS+ 44 - HA1 GLY 58 3.333% * 27.3296% (0.55 0.84 3.29) = 27.330% kept HB3 LYS+ 63 - HA1 GLY 58 3.333% * 15.1767% (0.52 0.49 0.02) = 15.177% kept HB3 LYS+ 108 - HA1 GLY 58 3.333% * 10.2493% (0.57 0.31 0.02) = 10.249% kept HB3 GLU- 18 - HA1 GLY 58 3.333% * 7.8962% (0.19 0.69 0.02) = 7.896% kept HB3 LYS+ 113 - HA1 GLY 58 3.333% * 7.1239% (0.57 0.21 0.02) = 7.124% kept HB3 PRO 116 - HA1 GLY 58 3.333% * 6.3389% (0.43 0.25 0.02) = 6.339% kept HB3 ARG+ 53 - HA1 GLY 58 3.333% * 5.5799% (0.19 0.49 0.02) = 5.580% kept HG2 PRO 31 - HA1 GLY 58 3.333% * 4.0073% (0.46 0.15 0.02) = 4.007% kept HB2 GLU- 109 - HA1 GLY 58 3.333% * 3.5388% (0.32 0.19 0.02) = 3.539% kept HB2 LYS+ 117 - HA1 GLY 58 3.333% * 2.6171% (0.57 0.08 0.02) = 2.617% kept HB3 LYS+ 117 - HA1 GLY 58 3.333% * 2.6171% (0.57 0.08 0.02) = 2.617% kept HB3 HIS+ 7 - HA1 GLY 58 3.333% * 0.6646% (0.56 0.02 0.02) = 0.665% HB3 LYS+ 108 - HA2 GLY 58 3.333% * 0.5882% (0.50 0.02 0.02) = 0.588% HB2 LYS+ 117 - HA2 GLY 58 3.333% * 0.5869% (0.50 0.02 0.02) = 0.587% HB3 LYS+ 113 - HA2 GLY 58 3.333% * 0.5869% (0.50 0.02 0.02) = 0.587% HB3 LYS+ 117 - HA2 GLY 58 3.333% * 0.5869% (0.50 0.02 0.02) = 0.587% HB3 HIS+ 7 - HA2 GLY 58 3.333% * 0.5830% (0.49 0.02 0.02) = 0.583% HB3 LYS+ 44 - HA2 GLY 58 3.333% * 0.5676% (0.48 0.02 3.29) = 0.568% HB3 LYS+ 63 - HA2 GLY 58 3.333% * 0.5430% (0.46 0.02 0.02) = 0.543% HG2 PRO 31 - HA2 GLY 58 3.333% * 0.4710% (0.40 0.02 0.02) = 0.471% HB3 PRO 116 - HA2 GLY 58 3.333% * 0.4495% (0.38 0.02 0.02) = 0.449% HB2 GLU- 109 - HA2 GLY 58 3.333% * 0.3330% (0.28 0.02 0.02) = 0.333% HD3 LYS+ 72 - HA1 GLY 58 3.333% * 0.3006% (0.25 0.02 0.02) = 0.301% HD3 LYS+ 72 - HA2 GLY 58 3.333% * 0.2637% (0.22 0.02 0.02) = 0.264% HB3 ARG+ 53 - HA2 GLY 58 3.333% * 0.2006% (0.17 0.02 0.02) = 0.201% HB3 GLU- 18 - HA2 GLY 58 3.333% * 0.2006% (0.17 0.02 0.02) = 0.201% HD3 LYS+ 117 - HA1 GLY 58 3.333% * 0.1864% (0.16 0.02 0.02) = 0.186% HD3 LYS+ 117 - HA2 GLY 58 3.333% * 0.1635% (0.14 0.02 0.02) = 0.164% HB VAL 73 - HA1 GLY 58 3.333% * 0.1327% (0.11 0.02 0.02) = 0.133% HB VAL 73 - HA2 GLY 58 3.333% * 0.1164% (0.10 0.02 0.02) = 0.116% Peak 1472 (8.30, 1.56, 42.51 ppm): 16 chemical-shift based assignments, quality = 0.559, support = 1.73, residual support = 5.53: O HN LEU 9 - HB3 LEU 9 6.250% * 64.1274% (0.47 10.0 1.57 4.55) = 64.127% kept HN ALA 91 - HB3 LEU 90 6.250% * 21.1141% (0.93 1.0 2.60 9.23) = 21.114% kept HN HIS+ 8 - HB3 LEU 9 6.250% * 5.0549% (0.33 1.0 1.74 2.22) = 5.055% kept HN ASN 89 - HB3 LEU 90 6.250% * 4.2358% (0.32 1.0 1.53 12.86) = 4.236% kept HN ASP- 28 - HB3 LEU 90 6.250% * 3.0789% (0.68 1.0 0.52 0.10) = 3.079% kept HN VAL 99 - HB3 LEU 90 6.250% * 1.7595% (0.60 1.0 0.33 0.02) = 1.760% kept HN LEU 9 - HB3 LEU 90 6.250% * 0.1569% (0.90 1.0 0.02 0.02) = 0.157% HN HIS+ 8 - HB3 LEU 90 6.250% * 0.1117% (0.64 1.0 0.02 0.02) = 0.112% HN ALA 91 - HB3 LEU 9 6.250% * 0.0846% (0.48 1.0 0.02 0.02) = 0.085% HN ASP- 28 - HB3 LEU 9 6.250% * 0.0614% (0.35 1.0 0.02 0.02) = 0.061% HN VAL 99 - HB3 LEU 9 6.250% * 0.0547% (0.31 1.0 0.02 0.22) = 0.055% HN ASN 76 - HB3 LEU 90 6.250% * 0.0502% (0.29 1.0 0.02 0.02) = 0.050% HN GLY 114 - HB3 LEU 90 6.250% * 0.0362% (0.21 1.0 0.02 0.02) = 0.036% HN ASN 89 - HB3 LEU 9 6.250% * 0.0289% (0.17 1.0 0.02 0.02) = 0.029% HN ASN 76 - HB3 LEU 9 6.250% * 0.0261% (0.15 1.0 0.02 0.02) = 0.026% HN GLY 114 - HB3 LEU 9 6.250% * 0.0188% (0.11 1.0 0.02 0.02) = 0.019% 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): 28 chemical-shift based assignments, quality = 0.842, support = 2.33, residual support = 6.45: O HA LEU 90 - HB3 LEU 90 3.571% * 85.3958% (0.88 10.0 2.39 5.79) = 85.396% kept HA ASN 89 - HB3 LEU 90 3.571% * 9.4016% (0.76 1.0 2.53 12.86) = 9.402% kept HA ALA 91 - HB3 LEU 90 3.571% * 3.2122% (0.46 1.0 1.43 9.23) = 3.212% kept HD3 PRO 59 - HB3 LEU 90 3.571% * 1.2491% (0.43 1.0 0.60 0.02) = 1.249% kept HA THR 106 - HB3 LEU 90 3.571% * 0.0810% (0.83 1.0 0.02 0.02) = 0.081% HA PRO 104 - HB3 LEU 90 3.571% * 0.0654% (0.67 1.0 0.02 0.02) = 0.065% HA VAL 73 - HB3 LEU 90 3.571% * 0.0643% (0.66 1.0 0.02 0.02) = 0.064% HA PRO 52 - HB3 LEU 90 3.571% * 0.0417% (0.43 1.0 0.02 0.02) = 0.042% HA SER 85 - HB3 LEU 90 3.571% * 0.0417% (0.43 1.0 0.02 0.02) = 0.042% HA LEU 90 - HB3 LEU 9 3.571% * 0.0390% (0.40 1.0 0.02 0.02) = 0.039% HA ILE 29 - HB3 LEU 90 3.571% * 0.0384% (0.39 1.0 0.02 0.02) = 0.038% HA THR 106 - HB3 LEU 9 3.571% * 0.0369% (0.38 1.0 0.02 0.02) = 0.037% HA VAL 65 - HB3 LEU 90 3.571% * 0.0352% (0.36 1.0 0.02 0.02) = 0.035% HA ASN 89 - HB3 LEU 9 3.571% * 0.0339% (0.35 1.0 0.02 0.02) = 0.034% HA ARG+ 84 - HB3 LEU 90 3.571% * 0.0321% (0.33 1.0 0.02 0.68) = 0.032% HA PRO 104 - HB3 LEU 9 3.571% * 0.0298% (0.31 1.0 0.02 0.02) = 0.030% HA VAL 73 - HB3 LEU 9 3.571% * 0.0293% (0.30 1.0 0.02 0.02) = 0.029% HA ALA 91 - HB3 LEU 9 3.571% * 0.0205% (0.21 1.0 0.02 0.02) = 0.021% HA PRO 112 - HB3 LEU 90 3.571% * 0.0191% (0.20 1.0 0.02 0.02) = 0.019% HA SER 85 - HB3 LEU 9 3.571% * 0.0190% (0.20 1.0 0.02 0.02) = 0.019% HD3 PRO 59 - HB3 LEU 9 3.571% * 0.0190% (0.20 1.0 0.02 0.51) = 0.019% HA PRO 52 - HB3 LEU 9 3.571% * 0.0190% (0.20 1.0 0.02 0.02) = 0.019% HA ILE 29 - HB3 LEU 9 3.571% * 0.0175% (0.18 1.0 0.02 0.02) = 0.018% HA VAL 65 - HB3 LEU 9 3.571% * 0.0161% (0.17 1.0 0.02 0.02) = 0.016% HA ARG+ 84 - HB3 LEU 9 3.571% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% HA GLU- 75 - HB3 LEU 90 3.571% * 0.0132% (0.14 1.0 0.02 0.45) = 0.013% HA PRO 112 - HB3 LEU 9 3.571% * 0.0087% (0.09 1.0 0.02 0.02) = 0.009% HA GLU- 75 - HB3 LEU 9 3.571% * 0.0060% (0.06 1.0 0.02 0.02) = 0.006% 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): 12 chemical-shift based assignments, quality = 0.297, support = 0.817, residual support = 0.905: HB2 HIS+ 98 - HB ILE 19 8.333% * 26.7438% (0.22 1.36 0.88) = 26.744% kept HB2 HIS+ 98 - HB3 LEU 90 8.333% * 21.7544% (0.59 0.40 0.02) = 21.754% kept HB2 HIS+ 98 - HB3 LEU 9 8.333% * 16.1605% (0.17 1.05 2.16) = 16.160% kept HA1 GLY 58 - HB3 LEU 90 8.333% * 15.2727% (0.41 0.40 0.27) = 15.273% kept HA1 GLY 58 - HB ILE 19 8.333% * 8.5601% (0.15 0.62 0.34) = 8.560% kept HA1 GLY 58 - HB3 LEU 9 8.333% * 5.0233% (0.12 0.47 0.48) = 5.023% kept HG3 MET 97 - HB ILE 19 8.333% * 3.9739% (0.03 1.31 5.55) = 3.974% kept HE3 LYS+ 60 - HB ILE 19 8.333% * 1.4732% (0.04 0.38 0.02) = 1.473% kept HG3 MET 97 - HB3 LEU 90 8.333% * 0.7157% (0.09 0.09 0.02) = 0.716% HE3 LYS+ 60 - HB3 LEU 90 8.333% * 0.2139% (0.12 0.02 0.02) = 0.214% HE3 LYS+ 60 - HB3 LEU 9 8.333% * 0.0610% (0.03 0.02 0.02) = 0.061% HG3 MET 97 - HB3 LEU 9 8.333% * 0.0475% (0.03 0.02 0.02) = 0.048% 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): 56 chemical-shift based assignments, quality = 0.736, support = 1.15, residual support = 30.3: O HD3 LYS+ 72 - HE3 LYS+ 72 1.786% * 46.3699% (0.72 10.0 1.31 33.70) = 46.370% kept O HD3 LYS+ 117 - HE3 LYS+ 117 1.786% * 41.7566% (0.84 10.0 1.00 31.30) = 41.757% kept HB VAL 73 - HE3 LYS+ 72 1.786% * 5.3847% (0.77 1.0 1.41 9.25) = 5.385% kept HB3 LYS+ 108 - HE3 LYS+ 108 1.786% * 1.4929% (0.24 1.0 1.27 21.13) = 1.493% kept HB3 LYS+ 117 - HE3 LYS+ 117 1.786% * 1.4758% (0.24 1.0 1.27 31.30) = 1.476% kept HB2 LYS+ 117 - HE3 LYS+ 117 1.786% * 1.1817% (0.19 1.0 1.27 31.30) = 1.182% kept HD3 LYS+ 117 - HE3 LYS+ 108 1.786% * 0.0942% (0.95 1.0 0.02 0.12) = 0.094% HB VAL 73 - HE3 LYS+ 108 1.786% * 0.0936% (0.95 1.0 0.02 0.50) = 0.094% HD3 LYS+ 117 - HE3 LYS+ 81 1.786% * 0.0914% (0.92 1.0 0.02 0.02) = 0.091% HB VAL 73 - HE3 LYS+ 81 1.786% * 0.0908% (0.92 1.0 0.02 1.17) = 0.091% HD3 LYS+ 72 - HE3 LYS+ 108 1.786% * 0.0871% (0.88 1.0 0.02 0.02) = 0.087% HD3 LYS+ 72 - HE3 LYS+ 81 1.786% * 0.0846% (0.85 1.0 0.02 0.02) = 0.085% HB VAL 73 - HE3 LYS+ 117 1.786% * 0.0830% (0.84 1.0 0.02 0.02) = 0.083% HB2 GLU- 109 - HE3 LYS+ 108 1.786% * 0.0789% (0.80 1.0 0.02 3.41) = 0.079% HD3 LYS+ 72 - HE3 LYS+ 117 1.786% * 0.0773% (0.78 1.0 0.02 0.02) = 0.077% HD3 LYS+ 117 - HE3 LYS+ 72 1.786% * 0.0767% (0.78 1.0 0.02 0.02) = 0.077% HB2 GLU- 109 - HE3 LYS+ 81 1.786% * 0.0765% (0.77 1.0 0.02 0.02) = 0.077% HB2 PRO 59 - HE3 LYS+ 108 1.786% * 0.0721% (0.73 1.0 0.02 0.02) = 0.072% HB2 PRO 59 - HE3 LYS+ 81 1.786% * 0.0700% (0.71 1.0 0.02 0.02) = 0.070% HB2 GLU- 109 - HE3 LYS+ 117 1.786% * 0.0699% (0.71 1.0 0.02 0.02) = 0.070% HB2 GLU- 109 - HE3 LYS+ 72 1.786% * 0.0642% (0.65 1.0 0.02 0.02) = 0.064% HB2 PRO 59 - HE3 LYS+ 117 1.786% * 0.0640% (0.65 1.0 0.02 0.02) = 0.064% HB2 PRO 59 - HE3 LYS+ 72 1.786% * 0.0588% (0.59 1.0 0.02 0.02) = 0.059% HB3 PRO 59 - HE3 LYS+ 108 1.786% * 0.0534% (0.54 1.0 0.02 0.02) = 0.053% HG3 PRO 112 - HE3 LYS+ 108 1.786% * 0.0534% (0.54 1.0 0.02 0.02) = 0.053% HG3 PRO 112 - HE3 LYS+ 81 1.786% * 0.0519% (0.52 1.0 0.02 0.02) = 0.052% HB3 PRO 59 - HE3 LYS+ 81 1.786% * 0.0519% (0.52 1.0 0.02 0.02) = 0.052% HB3 PRO 59 - HE3 LYS+ 117 1.786% * 0.0474% (0.48 1.0 0.02 0.02) = 0.047% HG3 PRO 112 - HE3 LYS+ 117 1.786% * 0.0474% (0.48 1.0 0.02 0.02) = 0.047% HB3 PRO 59 - HE3 LYS+ 72 1.786% * 0.0435% (0.44 1.0 0.02 0.02) = 0.044% HG3 PRO 112 - HE3 LYS+ 72 1.786% * 0.0435% (0.44 1.0 0.02 0.02) = 0.044% HB2 LYS+ 66 - HE3 LYS+ 108 1.786% * 0.0388% (0.39 1.0 0.02 0.02) = 0.039% HB2 LYS+ 66 - HE3 LYS+ 81 1.786% * 0.0377% (0.38 1.0 0.02 0.02) = 0.038% HB3 LYS+ 44 - HE3 LYS+ 108 1.786% * 0.0354% (0.36 1.0 0.02 0.02) = 0.035% HB2 LYS+ 66 - HE3 LYS+ 117 1.786% * 0.0344% (0.35 1.0 0.02 0.02) = 0.034% HB3 LYS+ 44 - HE3 LYS+ 81 1.786% * 0.0344% (0.35 1.0 0.02 0.02) = 0.034% HB2 LYS+ 66 - HE3 LYS+ 72 1.786% * 0.0316% (0.32 1.0 0.02 0.02) = 0.032% HB3 LYS+ 44 - HE3 LYS+ 117 1.786% * 0.0314% (0.32 1.0 0.02 0.02) = 0.031% HB3 LYS+ 44 - HE3 LYS+ 72 1.786% * 0.0289% (0.29 1.0 0.02 0.47) = 0.029% HB3 LYS+ 117 - HE3 LYS+ 108 1.786% * 0.0262% (0.27 1.0 0.02 0.12) = 0.026% HB3 LYS+ 117 - HE3 LYS+ 81 1.786% * 0.0255% (0.26 1.0 0.02 0.02) = 0.025% HB3 LYS+ 108 - HE3 LYS+ 81 1.786% * 0.0228% (0.23 1.0 0.02 0.02) = 0.023% HB3 LYS+ 117 - HE3 LYS+ 72 1.786% * 0.0214% (0.22 1.0 0.02 0.02) = 0.021% HB2 LYS+ 117 - HE3 LYS+ 108 1.786% * 0.0210% (0.21 1.0 0.02 0.12) = 0.021% HB3 LYS+ 113 - HE3 LYS+ 108 1.786% * 0.0210% (0.21 1.0 0.02 0.02) = 0.021% HB3 LYS+ 108 - HE3 LYS+ 117 1.786% * 0.0209% (0.21 1.0 0.02 0.12) = 0.021% HB3 LYS+ 113 - HE3 LYS+ 81 1.786% * 0.0204% (0.21 1.0 0.02 0.02) = 0.020% HB2 LYS+ 117 - HE3 LYS+ 81 1.786% * 0.0204% (0.21 1.0 0.02 0.02) = 0.020% HB3 LYS+ 108 - HE3 LYS+ 72 1.786% * 0.0192% (0.19 1.0 0.02 0.02) = 0.019% HB3 HIS+ 7 - HE3 LYS+ 108 1.786% * 0.0187% (0.19 1.0 0.02 0.71) = 0.019% HB3 LYS+ 113 - HE3 LYS+ 117 1.786% * 0.0186% (0.19 1.0 0.02 0.02) = 0.019% HB3 HIS+ 7 - HE3 LYS+ 81 1.786% * 0.0181% (0.18 1.0 0.02 0.02) = 0.018% HB2 LYS+ 117 - HE3 LYS+ 72 1.786% * 0.0171% (0.17 1.0 0.02 0.02) = 0.017% HB3 LYS+ 113 - HE3 LYS+ 72 1.786% * 0.0171% (0.17 1.0 0.02 0.02) = 0.017% HB3 HIS+ 7 - HE3 LYS+ 117 1.786% * 0.0166% (0.17 1.0 0.02 0.02) = 0.017% HB3 HIS+ 7 - HE3 LYS+ 72 1.786% * 0.0152% (0.15 1.0 0.02 0.02) = 0.015% Peak 1500 (1.80, 2.92, 42.39 ppm): 15 chemical-shift based assignments, quality = 0.639, support = 0.354, residual support = 0.0219: HB3 LYS+ 117 - HE3 LYS+ 60 6.667% * 28.9921% (0.80 0.35 0.02) = 28.992% kept HB2 LYS+ 117 - HE3 LYS+ 60 6.667% * 28.1484% (0.77 0.35 0.02) = 28.148% kept HD3 LYS+ 117 - HE3 LYS+ 60 6.667% * 21.6383% (0.33 0.62 0.02) = 21.638% kept HB3 PRO 116 - HE3 LYS+ 60 6.667% * 8.8100% (0.49 0.17 0.02) = 8.810% kept HB3 LYS+ 44 - HE3 LYS+ 60 6.667% * 1.6844% (0.81 0.02 0.02) = 1.684% kept HB3 LYS+ 108 - HE3 LYS+ 60 6.667% * 1.6255% (0.78 0.02 0.02) = 1.626% kept HB3 LYS+ 113 - HE3 LYS+ 60 6.667% * 1.5934% (0.77 0.02 0.02) = 1.593% kept HB3 HIS+ 7 - HE3 LYS+ 60 6.667% * 1.5549% (0.75 0.02 0.02) = 1.555% kept HB3 LYS+ 63 - HE3 LYS+ 60 6.667% * 1.3487% (0.65 0.02 0.18) = 1.349% kept HB2 GLU- 109 - HE3 LYS+ 60 6.667% * 1.2231% (0.59 0.02 0.02) = 1.223% kept HG2 PRO 31 - HE3 LYS+ 60 6.667% * 1.0896% (0.52 0.02 0.02) = 1.090% kept HD3 LYS+ 72 - HE3 LYS+ 60 6.667% * 1.0216% (0.49 0.02 0.02) = 1.022% kept HB VAL 73 - HE3 LYS+ 60 6.667% * 0.5199% (0.25 0.02 0.02) = 0.520% HB3 GLU- 18 - HE3 LYS+ 60 6.667% * 0.3750% (0.18 0.02 0.02) = 0.375% HB3 ARG+ 53 - HE3 LYS+ 60 6.667% * 0.3750% (0.18 0.02 0.02) = 0.375% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 1503 (1.58, 2.90, 42.39 ppm): 12 chemical-shift based assignments, quality = 0.326, support = 0.957, residual support = 12.7: O T HD3 LYS+ 60 - HE3 LYS+ 60 8.333% * 49.6059% (0.30 10.0 10.00 1.00 14.80) = 49.606% kept O HG3 LYS+ 60 - HE3 LYS+ 60 8.333% * 36.0754% (0.37 10.0 1.00 1.15 14.80) = 36.075% kept T HB ILE 19 - HE3 LYS+ 60 8.333% * 11.2116% (0.35 1.0 10.00 0.38 0.02) = 11.212% kept T HD3 LYS+ 32 - HE3 LYS+ 60 8.333% * 2.1659% (0.22 1.0 10.00 0.12 0.02) = 2.166% kept HB3 LYS+ 32 - HE3 LYS+ 60 8.333% * 0.4460% (0.45 1.0 1.00 0.12 0.02) = 0.446% T HB3 LEU 9 - HE3 LYS+ 60 8.333% * 0.1821% (0.11 1.0 10.00 0.02 0.02) = 0.182% T HB3 LEU 90 - HE3 LYS+ 60 8.333% * 0.1821% (0.11 1.0 10.00 0.02 0.02) = 0.182% HG LEU 17 - HE3 LYS+ 60 8.333% * 0.0562% (0.34 1.0 1.00 0.02 0.02) = 0.056% HB3 LEU 17 - HE3 LYS+ 60 8.333% * 0.0279% (0.17 1.0 1.00 0.02 0.02) = 0.028% HG3 LYS+ 110 - HE3 LYS+ 60 8.333% * 0.0182% (0.11 1.0 1.00 0.02 0.02) = 0.018% HG2 LYS+ 110 - HE3 LYS+ 60 8.333% * 0.0162% (0.10 1.0 1.00 0.02 0.02) = 0.016% HG13 ILE 29 - HE3 LYS+ 60 8.333% * 0.0126% (0.08 1.0 1.00 0.02 0.02) = 0.013% Peak 1506 (1.56, 1.55, 42.48 ppm): 2 diagonal assignments: HB3 LEU 90 - HB3 LEU 90 (0.90) kept HB3 LEU 9 - HB3 LEU 9 (0.39) kept Peak 1508 (1.49, 3.13, 42.43 ppm): 28 chemical-shift based assignments, quality = 0.436, support = 1.29, residual support = 25.7: O HD3 LYS+ 108 - HE3 LYS+ 108 3.571% * 43.7975% (0.59 10.0 1.00 1.00 21.13) = 43.798% kept O T HG3 LYS+ 72 - HE3 LYS+ 72 3.571% * 41.2345% (0.28 10.0 10.00 1.50 33.70) = 41.234% kept HB2 LYS+ 72 - HE3 LYS+ 72 3.571% * 7.5608% (0.36 1.0 1.00 2.83 33.70) = 7.561% kept QB ALA 70 - HE3 LYS+ 72 3.571% * 2.7244% (0.70 1.0 1.00 0.52 1.89) = 2.724% kept QB ALA 70 - HE3 LYS+ 108 3.571% * 2.0458% (0.92 1.0 1.00 0.30 0.02) = 2.046% kept T HG3 LYS+ 72 - HE3 LYS+ 108 3.571% * 0.5420% (0.36 1.0 10.00 0.02 0.02) = 0.542% T HG3 LYS+ 72 - HE3 LYS+ 81 3.571% * 0.5003% (0.34 1.0 10.00 0.02 0.02) = 0.500% T HG3 LYS+ 72 - HE3 LYS+ 117 3.571% * 0.4995% (0.34 1.0 10.00 0.02 0.02) = 0.500% QB ALA 70 - HE3 LYS+ 81 3.571% * 0.1261% (0.85 1.0 1.00 0.02 0.02) = 0.126% QB ALA 70 - HE3 LYS+ 117 3.571% * 0.1259% (0.84 1.0 1.00 0.02 0.02) = 0.126% HD3 LYS+ 108 - HE3 LYS+ 81 3.571% * 0.0808% (0.54 1.0 1.00 0.02 0.02) = 0.081% HD3 LYS+ 108 - HE3 LYS+ 117 3.571% * 0.0807% (0.54 1.0 1.00 0.02 0.12) = 0.081% HB2 LYS+ 72 - HE3 LYS+ 108 3.571% * 0.0703% (0.47 1.0 1.00 0.02 0.02) = 0.070% HD3 LYS+ 108 - HE3 LYS+ 72 3.571% * 0.0666% (0.45 1.0 1.00 0.02 0.02) = 0.067% HB2 LYS+ 72 - HE3 LYS+ 81 3.571% * 0.0649% (0.44 1.0 1.00 0.02 0.02) = 0.065% HB2 LYS+ 72 - HE3 LYS+ 117 3.571% * 0.0648% (0.43 1.0 1.00 0.02 0.02) = 0.065% HB3 LEU 67 - HE3 LYS+ 108 3.571% * 0.0594% (0.40 1.0 1.00 0.02 0.02) = 0.059% HB3 LEU 67 - HE3 LYS+ 81 3.571% * 0.0548% (0.37 1.0 1.00 0.02 0.02) = 0.055% HB3 LEU 67 - HE3 LYS+ 117 3.571% * 0.0547% (0.37 1.0 1.00 0.02 0.02) = 0.055% HB3 LEU 67 - HE3 LYS+ 72 3.571% * 0.0452% (0.30 1.0 1.00 0.02 0.02) = 0.045% HG LEU 74 - HE3 LYS+ 108 3.571% * 0.0335% (0.22 1.0 1.00 0.02 0.02) = 0.033% HG LEU 74 - HE3 LYS+ 81 3.571% * 0.0309% (0.21 1.0 1.00 0.02 0.81) = 0.031% HG LEU 74 - HE3 LYS+ 117 3.571% * 0.0308% (0.21 1.0 1.00 0.02 0.02) = 0.031% HG LEU 74 - HE3 LYS+ 72 3.571% * 0.0255% (0.17 1.0 1.00 0.02 0.11) = 0.025% HG LEU 43 - HE3 LYS+ 108 3.571% * 0.0223% (0.15 1.0 1.00 0.02 0.02) = 0.022% HG LEU 43 - HE3 LYS+ 81 3.571% * 0.0206% (0.14 1.0 1.00 0.02 0.02) = 0.021% HG LEU 43 - HE3 LYS+ 117 3.571% * 0.0205% (0.14 1.0 1.00 0.02 0.02) = 0.021% HG LEU 43 - HE3 LYS+ 72 3.571% * 0.0170% (0.11 1.0 1.00 0.02 0.02) = 0.017% Peak 1510 (1.36, 2.90, 42.39 ppm): 11 chemical-shift based assignments, quality = 0.337, support = 0.761, residual support = 0.566: HG3 LYS+ 20 - HE3 LYS+ 60 9.091% * 29.5144% (0.34 1.07 0.85) = 29.514% kept HB3 LYS+ 20 - HE3 LYS+ 60 9.091% * 18.9078% (0.34 0.69 0.85) = 18.908% kept HG3 ARG+ 22 - HE3 LYS+ 60 9.091% * 17.2214% (0.45 0.47 0.02) = 17.221% kept HB2 LYS+ 20 - HE3 LYS+ 60 9.091% * 16.7980% (0.19 1.08 0.85) = 16.798% kept HG13 ILE 19 - HE3 LYS+ 60 9.091% * 13.5356% (0.44 0.38 0.02) = 13.536% kept HG LEU 74 - HE3 LYS+ 60 9.091% * 1.8264% (0.25 0.09 0.12) = 1.826% kept QB ALA 91 - HE3 LYS+ 60 9.091% * 0.7563% (0.46 0.02 0.02) = 0.756% HG2 LYS+ 78 - HE3 LYS+ 60 9.091% * 0.5206% (0.32 0.02 0.02) = 0.521% QG2 THR 39 - HE3 LYS+ 60 9.091% * 0.3689% (0.23 0.02 0.02) = 0.369% HB2 LEU 17 - HE3 LYS+ 60 9.091% * 0.3398% (0.21 0.02 0.02) = 0.340% QB ALA 11 - HE3 LYS+ 60 9.091% * 0.2107% (0.13 0.02 0.02) = 0.211% Peak 1513 (8.97, 1.57, 42.16 ppm): 10 chemical-shift based assignments, quality = 0.689, support = 2.37, residual support = 4.05: HN MET 97 - HB ILE 19 10.000% * 59.7446% (0.78 3.09 5.55) = 59.745% kept HN LEU 17 - HB ILE 19 10.000% * 20.9047% (0.83 1.02 0.67) = 20.905% kept HN THR 96 - HB ILE 19 10.000% * 13.2879% (0.25 2.11 4.44) = 13.288% kept HN ARG+ 22 - HB ILE 19 10.000% * 3.6514% (0.31 0.48 0.02) = 3.651% kept HN PHE 21 - HB ILE 19 10.000% * 2.3058% (0.18 0.51 0.24) = 2.306% kept HN LEU 17 - HB3 LEU 23 10.000% * 0.0370% (0.07 0.02 0.02) = 0.037% HN MET 97 - HB3 LEU 23 10.000% * 0.0350% (0.07 0.02 0.12) = 0.035% HN ARG+ 22 - HB3 LEU 23 10.000% * 0.0139% (0.03 0.02 3.79) = 0.014% HN THR 96 - HB3 LEU 23 10.000% * 0.0114% (0.02 0.02 0.02) = 0.011% HN PHE 21 - HB3 LEU 23 10.000% * 0.0082% (0.02 0.02 0.02) = 0.008% Peak 1514 (7.34, 1.57, 42.17 ppm): 24 chemical-shift based assignments, quality = 0.531, support = 3.13, residual support = 25.2: QE PHE 34 - HB ILE 19 4.167% * 48.2040% (0.63 3.55 25.55) = 48.204% kept HZ PHE 34 - HB ILE 19 4.167% * 26.7251% (0.63 1.97 25.55) = 26.725% kept QD PHE 34 - HB ILE 19 4.167% * 22.5294% (0.27 3.89 25.55) = 22.529% kept HZ2 TRP 51 - HB3 LEU 23 4.167% * 1.5601% (0.06 1.29 22.08) = 1.560% kept HZ2 TRP 51 - HB ILE 19 4.167% * 0.2719% (0.63 0.02 0.02) = 0.272% HE22 GLN 102 - HB ILE 19 4.167% * 0.1158% (0.27 0.02 0.02) = 0.116% HN VAL 47 - HB ILE 19 4.167% * 0.0944% (0.22 0.02 0.02) = 0.094% HE ARG+ 53 - HB ILE 19 4.167% * 0.0944% (0.22 0.02 0.02) = 0.094% HN ARG+ 84 - HB ILE 19 4.167% * 0.0847% (0.20 0.02 0.02) = 0.085% HZ2 TRP 51 - HB3 LEU 90 4.167% * 0.0467% (0.11 0.02 0.02) = 0.047% QE PHE 34 - HB3 LEU 90 4.167% * 0.0467% (0.11 0.02 0.02) = 0.047% HZ PHE 34 - HB3 LEU 90 4.167% * 0.0467% (0.11 0.02 0.02) = 0.047% QE PHE 34 - HB3 LEU 23 4.167% * 0.0242% (0.06 0.02 0.16) = 0.024% HZ PHE 34 - HB3 LEU 23 4.167% * 0.0242% (0.06 0.02 0.16) = 0.024% HE22 GLN 102 - HB3 LEU 90 4.167% * 0.0199% (0.05 0.02 0.02) = 0.020% QD PHE 34 - HB3 LEU 90 4.167% * 0.0199% (0.05 0.02 0.02) = 0.020% HE ARG+ 53 - HB3 LEU 90 4.167% * 0.0162% (0.04 0.02 0.02) = 0.016% HN VAL 47 - HB3 LEU 90 4.167% * 0.0162% (0.04 0.02 0.02) = 0.016% HN ARG+ 84 - HB3 LEU 90 4.167% * 0.0145% (0.03 0.02 0.68) = 0.015% HE22 GLN 102 - HB3 LEU 23 4.167% * 0.0103% (0.02 0.02 0.46) = 0.010% QD PHE 34 - HB3 LEU 23 4.167% * 0.0103% (0.02 0.02 0.16) = 0.010% HN VAL 47 - HB3 LEU 23 4.167% * 0.0084% (0.02 0.02 0.02) = 0.008% HE ARG+ 53 - HB3 LEU 23 4.167% * 0.0084% (0.02 0.02 0.02) = 0.008% HN ARG+ 84 - HB3 LEU 23 4.167% * 0.0075% (0.02 0.02 0.51) = 0.008% Peak 1522 (4.81, 1.56, 42.22 ppm): 8 chemical-shift based assignments, quality = 0.387, support = 1.53, residual support = 5.31: HA MET 97 - HB ILE 19 12.500% * 56.1281% (0.55 1.24 5.55) = 56.128% kept HA ASN 89 - HB ILE 19 12.500% * 25.8320% (0.14 2.18 3.37) = 25.832% kept HA ASN 89 - HB3 LEU 90 12.500% * 10.2826% (0.05 2.53 12.86) = 10.283% kept HA GLU- 107 - HB ILE 19 12.500% * 5.7927% (0.62 0.11 0.02) = 5.793% kept HA MET 97 - HB3 LEU 90 12.500% * 1.3325% (0.19 0.09 0.02) = 1.332% kept HA GLU- 107 - HB3 LEU 90 12.500% * 0.3548% (0.21 0.02 0.02) = 0.355% HA LYS+ 113 - HB ILE 19 12.500% * 0.2065% (0.12 0.02 0.02) = 0.207% HA LYS+ 113 - HB3 LEU 90 12.500% * 0.0708% (0.04 0.02 0.02) = 0.071% 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): 21 chemical-shift based assignments, quality = 0.338, support = 0.886, residual support = 14.4: O HD3 LYS+ 55 - HE3 LYS+ 55 4.762% * 88.4091% (0.32 10.0 1.00 1.00 16.25) = 88.409% kept T HB3 MET 126 - HE2 LYS+ 117 4.762% * 3.8980% (0.72 1.0 10.00 0.02 0.02) = 3.898% kept T HB3 MET 126 - HE3 LYS+ 113 4.762% * 3.0516% (0.56 1.0 10.00 0.02 0.02) = 3.052% kept T HB3 MET 126 - HE3 LYS+ 55 4.762% * 1.7682% (0.32 1.0 10.00 0.02 0.02) = 1.768% kept HD3 LYS+ 55 - HE2 LYS+ 117 4.762% * 0.3898% (0.72 1.0 1.00 0.02 0.02) = 0.390% HB VAL 99 - HE2 LYS+ 117 4.762% * 0.3898% (0.72 1.0 1.00 0.02 0.02) = 0.390% HD3 LYS+ 55 - HE3 LYS+ 113 4.762% * 0.3052% (0.56 1.0 1.00 0.02 0.02) = 0.305% HB VAL 99 - HE3 LYS+ 113 4.762% * 0.3052% (0.56 1.0 1.00 0.02 0.02) = 0.305% HG3 ARG+ 84 - HE2 LYS+ 117 4.762% * 0.1949% (0.36 1.0 1.00 0.02 0.02) = 0.195% HB2 HIS+ 8 - HE2 LYS+ 117 4.762% * 0.1949% (0.36 1.0 1.00 0.02 0.02) = 0.195% HB VAL 99 - HE3 LYS+ 55 4.762% * 0.1768% (0.32 1.0 1.00 0.02 0.02) = 0.177% HB2 HIS+ 8 - HE3 LYS+ 113 4.762% * 0.1526% (0.28 1.0 1.00 0.02 0.02) = 0.153% HG3 ARG+ 84 - HE3 LYS+ 113 4.762% * 0.1526% (0.28 1.0 1.00 0.02 0.02) = 0.153% HB3 MET 97 - HE2 LYS+ 117 4.762% * 0.1084% (0.20 1.0 1.00 0.02 0.02) = 0.108% HB2 HIS+ 8 - HE3 LYS+ 55 4.762% * 0.0884% (0.16 1.0 1.00 0.02 0.02) = 0.088% HG3 ARG+ 84 - HE3 LYS+ 55 4.762% * 0.0884% (0.16 1.0 1.00 0.02 0.02) = 0.088% HB3 ARG+ 22 - HE2 LYS+ 117 4.762% * 0.0860% (0.16 1.0 1.00 0.02 0.02) = 0.086% HB3 MET 97 - HE3 LYS+ 113 4.762% * 0.0848% (0.16 1.0 1.00 0.02 0.02) = 0.085% HB3 ARG+ 22 - HE3 LYS+ 113 4.762% * 0.0673% (0.12 1.0 1.00 0.02 0.02) = 0.067% HB3 MET 97 - HE3 LYS+ 55 4.762% * 0.0492% (0.09 1.0 1.00 0.02 0.02) = 0.049% HB3 ARG+ 22 - HE3 LYS+ 55 4.762% * 0.0390% (0.07 1.0 1.00 0.02 0.02) = 0.039% Peak 1660 (1.40, 3.29, 42.22 ppm): 11 chemical-shift based assignments, quality = 0.348, support = 0.582, residual support = 1.33: T HG LEU 74 - HE3 LYS+ 63 9.091% * 95.1862% (0.36 10.00 0.61 1.40) = 95.186% kept HD3 LYS+ 44 - HE3 LYS+ 63 9.091% * 1.1936% (0.28 1.00 0.10 0.02) = 1.194% kept HD3 LYS+ 20 - HE3 LYS+ 63 9.091% * 0.6932% (0.80 1.00 0.02 0.02) = 0.693% QB ALA 42 - HE3 LYS+ 63 9.091% * 0.6000% (0.70 1.00 0.02 0.02) = 0.600% QG2 THR 38 - HE3 LYS+ 63 9.091% * 0.5490% (0.64 1.00 0.02 0.02) = 0.549% QB ALA 37 - HE3 LYS+ 63 9.091% * 0.5490% (0.64 1.00 0.02 0.02) = 0.549% HB2 LYS+ 20 - HE3 LYS+ 63 9.091% * 0.3496% (0.41 1.00 0.02 0.02) = 0.350% QG2 THR 39 - HE3 LYS+ 63 9.091% * 0.2953% (0.34 1.00 0.02 0.02) = 0.295% HG3 LYS+ 108 - HE3 LYS+ 63 9.091% * 0.2450% (0.28 1.00 0.02 0.02) = 0.245% HG2 LYS+ 78 - HE3 LYS+ 63 9.091% * 0.1791% (0.21 1.00 0.02 0.02) = 0.179% HB3 LYS+ 20 - HE3 LYS+ 63 9.091% * 0.1599% (0.19 1.00 0.02 0.02) = 0.160% 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): 2 chemical-shift based assignments, quality = 0.332, support = 2.1, residual support = 15.3: HG LEU 74 - HE2 LYS+ 20 50.000% * 94.5533% (0.34 2.20 16.13) = 94.553% kept HG13 ILE 100 - HE2 LYS+ 20 50.000% * 5.4467% (0.14 0.31 0.11) = 5.447% kept Peak 1666 (0.94, 2.97, 42.26 ppm): 30 chemical-shift based assignments, quality = 0.327, support = 0.336, residual support = 0.032: HG12 ILE 29 - HE3 LYS+ 113 3.333% * 22.4548% (0.40 0.53 0.02) = 22.455% kept QG2 ILE 29 - HE3 LYS+ 113 3.333% * 20.3210% (0.36 0.54 0.02) = 20.321% kept QG2 ILE 29 - HE2 LYS+ 117 3.333% * 14.0592% (0.44 0.30 0.02) = 14.059% kept HG LEU 74 - HE2 LYS+ 117 3.333% * 11.0575% (0.38 0.27 0.02) = 11.057% kept QG2 VAL 62 - HE3 LYS+ 55 3.333% * 6.6376% (0.18 0.34 0.02) = 6.638% kept HG LEU 74 - HE3 LYS+ 113 3.333% * 3.7967% (0.31 0.12 0.39) = 3.797% kept HG12 ILE 29 - HE3 LYS+ 55 3.333% * 2.4600% (0.19 0.12 0.02) = 2.460% kept QG2 ILE 29 - HE3 LYS+ 55 3.333% * 2.3568% (0.17 0.13 0.02) = 2.357% kept HG LEU 74 - HE3 LYS+ 55 3.333% * 1.5008% (0.14 0.10 0.02) = 1.501% kept QG1 VAL 105 - HE2 LYS+ 117 3.333% * 1.2228% (0.58 0.02 0.02) = 1.223% kept QD1 LEU 17 - HE2 LYS+ 117 3.333% * 1.2201% (0.58 0.02 0.02) = 1.220% kept HG12 ILE 29 - HE2 LYS+ 117 3.333% * 1.0607% (0.50 0.02 0.02) = 1.061% kept QG2 VAL 62 - HE2 LYS+ 117 3.333% * 1.0214% (0.48 0.02 0.02) = 1.021% kept QG1 VAL 105 - HE3 LYS+ 113 3.333% * 0.9851% (0.47 0.02 0.02) = 0.985% QD1 LEU 17 - HE3 LYS+ 113 3.333% * 0.9829% (0.47 0.02 0.02) = 0.983% HG12 ILE 68 - HE2 LYS+ 117 3.333% * 0.9345% (0.44 0.02 0.02) = 0.934% QG2 VAL 62 - HE3 LYS+ 113 3.333% * 0.8228% (0.39 0.02 0.02) = 0.823% HG3 LYS+ 63 - HE2 LYS+ 117 3.333% * 0.7910% (0.37 0.02 0.02) = 0.791% QG2 VAL 99 - HE2 LYS+ 117 3.333% * 0.7910% (0.37 0.02 0.02) = 0.791% HG12 ILE 68 - HE3 LYS+ 113 3.333% * 0.7528% (0.36 0.02 0.02) = 0.753% QG2 VAL 73 - HE2 LYS+ 117 3.333% * 0.7417% (0.35 0.02 0.02) = 0.742% HG3 LYS+ 63 - HE3 LYS+ 113 3.333% * 0.6373% (0.30 0.02 0.02) = 0.637% QG2 VAL 99 - HE3 LYS+ 113 3.333% * 0.6373% (0.30 0.02 0.02) = 0.637% QG2 VAL 73 - HE3 LYS+ 113 3.333% * 0.5975% (0.28 0.02 0.24) = 0.597% QG1 VAL 105 - HE3 LYS+ 55 3.333% * 0.4626% (0.22 0.02 0.02) = 0.463% QD1 LEU 17 - HE3 LYS+ 55 3.333% * 0.4616% (0.22 0.02 0.02) = 0.462% HG12 ILE 68 - HE3 LYS+ 55 3.333% * 0.3536% (0.17 0.02 0.02) = 0.354% HG3 LYS+ 63 - HE3 LYS+ 55 3.333% * 0.2993% (0.14 0.02 0.02) = 0.299% QG2 VAL 99 - HE3 LYS+ 55 3.333% * 0.2993% (0.14 0.02 0.02) = 0.299% QG2 VAL 73 - HE3 LYS+ 55 3.333% * 0.2806% (0.13 0.02 0.02) = 0.281% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 1667 (0.93, 2.87, 42.07 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1668 (0.93, 2.77, 42.02 ppm): 36 chemical-shift based assignments, quality = 0.117, support = 1.06, residual support = 6.01: HG LEU 74 - HE3 LYS+ 20 2.778% * 36.9974% (0.05 2.65 16.13) = 36.997% kept HG LEU 74 - HE3 LYS+ 32 2.778% * 14.8187% (0.21 0.26 0.11) = 14.819% kept HG LEU 74 - HE3 LYS+ 111 2.778% * 6.8074% (0.11 0.23 0.02) = 6.807% kept HG12 ILE 29 - HE3 LYS+ 32 2.778% * 6.6229% (0.26 0.09 0.02) = 6.623% kept QG2 ILE 29 - HE3 LYS+ 32 2.778% * 5.2112% (0.22 0.09 0.02) = 5.211% kept HG12 ILE 29 - HE3 LYS+ 20 2.778% * 2.6690% (0.06 0.16 0.02) = 2.669% kept QD1 LEU 17 - HE3 LYS+ 20 2.778% * 2.2846% (0.08 0.11 0.02) = 2.285% kept QG2 ILE 29 - HE3 LYS+ 20 2.778% * 2.1631% (0.05 0.15 0.02) = 2.163% kept QG2 VAL 62 - HE3 LYS+ 20 2.778% * 2.1103% (0.06 0.13 0.02) = 2.110% kept QD1 LEU 17 - HE3 LYS+ 32 2.778% * 1.7396% (0.32 0.02 0.10) = 1.740% kept QG1 VAL 105 - HE3 LYS+ 32 2.778% * 1.7280% (0.32 0.02 0.02) = 1.728% kept QG2 VAL 73 - HE3 LYS+ 20 2.778% * 1.6463% (0.05 0.11 0.02) = 1.646% kept QG2 VAL 62 - HE3 LYS+ 32 2.778% * 1.3324% (0.25 0.02 0.02) = 1.332% kept QG2 VAL 99 - HE3 LYS+ 32 2.778% * 1.2660% (0.23 0.02 0.36) = 1.266% kept HG12 ILE 68 - HE3 LYS+ 32 2.778% * 1.1976% (0.22 0.02 0.02) = 1.198% kept QG2 VAL 73 - HE3 LYS+ 32 2.778% * 1.1976% (0.22 0.02 0.02) = 1.198% kept HG12 ILE 68 - HE3 LYS+ 20 2.778% * 1.1006% (0.05 0.08 1.18) = 1.101% kept HG3 LYS+ 63 - HE3 LYS+ 32 2.778% * 0.9871% (0.18 0.02 0.02) = 0.987% QD1 LEU 17 - HE3 LYS+ 111 2.778% * 0.8866% (0.16 0.02 0.02) = 0.887% QG1 VAL 105 - HE3 LYS+ 111 2.778% * 0.8807% (0.16 0.02 0.02) = 0.881% HG12 ILE 29 - HE3 LYS+ 111 2.778% * 0.7115% (0.13 0.02 0.02) = 0.712% QG2 VAL 62 - HE3 LYS+ 111 2.778% * 0.6791% (0.13 0.02 0.02) = 0.679% QG2 VAL 99 - HE3 LYS+ 111 2.778% * 0.6452% (0.12 0.02 0.02) = 0.645% QG2 ILE 29 - HE3 LYS+ 111 2.778% * 0.6104% (0.11 0.02 0.02) = 0.610% HG12 ILE 68 - HE3 LYS+ 111 2.778% * 0.6104% (0.11 0.02 0.02) = 0.610% QG2 VAL 73 - HE3 LYS+ 111 2.778% * 0.6104% (0.11 0.02 0.02) = 0.610% HG3 LYS+ 63 - HE3 LYS+ 111 2.778% * 0.5031% (0.09 0.02 0.02) = 0.503% QG1 VAL 105 - HE3 LYS+ 20 2.778% * 0.4232% (0.08 0.02 0.02) = 0.423% QG2 VAL 99 - HE3 LYS+ 20 2.778% * 0.3101% (0.06 0.02 0.02) = 0.310% HG13 ILE 68 - HE3 LYS+ 32 2.778% * 0.3053% (0.06 0.02 0.02) = 0.305% QG2 VAL 87 - HE3 LYS+ 32 2.778% * 0.2690% (0.05 0.02 0.02) = 0.269% HG3 LYS+ 63 - HE3 LYS+ 20 2.778% * 0.2418% (0.04 0.02 0.02) = 0.242% HG13 ILE 68 - HE3 LYS+ 111 2.778% * 0.1556% (0.03 0.02 0.02) = 0.156% QG2 VAL 87 - HE3 LYS+ 111 2.778% * 0.1371% (0.03 0.02 0.02) = 0.137% HG13 ILE 68 - HE3 LYS+ 20 2.778% * 0.0748% (0.01 0.02 1.18) = 0.075% QG2 VAL 87 - HE3 LYS+ 20 2.778% * 0.0659% (0.01 0.02 0.02) = 0.066% Peak 1669 (0.73, 3.00, 42.26 ppm): 33 chemical-shift based assignments, quality = 0.498, support = 0.181, residual support = 0.0248: QD2 LEU 9 - HE2 LYS+ 117 3.030% * 30.1528% (0.70 0.27 0.02) = 30.153% kept QD2 LEU 9 - HE3 LYS+ 55 3.030% * 22.9887% (0.49 0.29 0.02) = 22.989% kept QD1 LEU 9 - HE3 LYS+ 55 3.030% * 7.5029% (0.47 0.10 0.02) = 7.503% kept HG LEU 74 - HE2 LYS+ 117 3.030% * 5.1981% (0.12 0.27 0.02) = 5.198% kept QG2 ILE 48 - HE2 LYS+ 117 3.030% * 4.6524% (0.34 0.09 0.02) = 4.652% kept QD1 ILE 68 - HE2 LYS+ 117 3.030% * 2.2453% (0.70 0.02 0.02) = 2.245% kept QD1 LEU 9 - HE2 LYS+ 117 3.030% * 2.1239% (0.67 0.02 0.02) = 2.124% kept QG2 VAL 40 - HE2 LYS+ 117 3.030% * 2.0726% (0.65 0.02 0.02) = 2.073% kept HG3 LYS+ 66 - HE2 LYS+ 117 3.030% * 1.8754% (0.59 0.02 0.02) = 1.875% kept QD1 ILE 68 - HE3 LYS+ 113 3.030% * 1.6486% (0.52 0.02 0.02) = 1.649% kept QD2 LEU 9 - HE3 LYS+ 113 3.030% * 1.6486% (0.52 0.02 0.02) = 1.649% kept HG LEU 74 - HE3 LYS+ 113 3.030% * 1.6267% (0.09 0.12 0.39) = 1.627% kept QD1 ILE 68 - HE3 LYS+ 55 3.030% * 1.5750% (0.49 0.02 0.02) = 1.575% kept QD1 LEU 9 - HE3 LYS+ 113 3.030% * 1.5595% (0.49 0.02 0.02) = 1.559% kept QG2 VAL 40 - HE3 LYS+ 113 3.030% * 1.5218% (0.48 0.02 0.02) = 1.522% kept QG2 VAL 40 - HE3 LYS+ 55 3.030% * 1.4539% (0.46 0.02 0.02) = 1.454% kept HG3 LYS+ 66 - HE3 LYS+ 113 3.030% * 1.3770% (0.43 0.02 0.02) = 1.377% kept HG3 LYS+ 66 - HE3 LYS+ 55 3.030% * 1.3156% (0.41 0.02 0.02) = 1.316% kept HG LEU 74 - HE3 LYS+ 55 3.030% * 1.3081% (0.08 0.10 0.02) = 1.308% kept QG2 ILE 101 - HE2 LYS+ 117 3.030% * 0.8427% (0.26 0.02 0.02) = 0.843% QG2 ILE 48 - HE3 LYS+ 113 3.030% * 0.8025% (0.25 0.02 0.02) = 0.802% QG2 ILE 48 - HE3 LYS+ 55 3.030% * 0.7666% (0.24 0.02 0.02) = 0.767% QG2 ILE 101 - HE3 LYS+ 113 3.030% * 0.6187% (0.19 0.02 0.02) = 0.619% QG2 ILE 101 - HE3 LYS+ 55 3.030% * 0.5911% (0.19 0.02 0.02) = 0.591% HB2 LEU 9 - HE2 LYS+ 117 3.030% * 0.3464% (0.11 0.02 0.02) = 0.346% HG3 LYS+ 44 - HE2 LYS+ 117 3.030% * 0.3464% (0.11 0.02 0.02) = 0.346% HG2 PRO 59 - HE2 LYS+ 117 3.030% * 0.3464% (0.11 0.02 0.02) = 0.346% HB2 LEU 9 - HE3 LYS+ 113 3.030% * 0.2544% (0.08 0.02 0.02) = 0.254% HG2 PRO 59 - HE3 LYS+ 113 3.030% * 0.2544% (0.08 0.02 0.02) = 0.254% HG3 LYS+ 44 - HE3 LYS+ 113 3.030% * 0.2544% (0.08 0.02 0.02) = 0.254% HB2 LEU 9 - HE3 LYS+ 55 3.030% * 0.2430% (0.08 0.02 0.02) = 0.243% HG3 LYS+ 44 - HE3 LYS+ 55 3.030% * 0.2430% (0.08 0.02 0.02) = 0.243% HG2 PRO 59 - HE3 LYS+ 55 3.030% * 0.2430% (0.08 0.02 0.02) = 0.243% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 1670 (0.69, 2.61, 42.15 ppm): 10 chemical-shift based assignments, quality = 0.511, support = 2.04, residual support = 13.6: QD1 ILE 19 - HE2 LYS+ 20 10.000% * 41.1566% (0.55 2.23 15.62) = 41.157% kept HG12 ILE 19 - HE2 LYS+ 20 10.000% * 39.8629% (0.49 2.42 15.62) = 39.863% kept QG2 VAL 94 - HE2 LYS+ 20 10.000% * 16.2708% (0.51 0.95 5.49) = 16.271% kept QG2 ILE 101 - HE2 LYS+ 20 10.000% * 1.1563% (0.40 0.09 0.02) = 1.156% kept HG LEU 67 - HE2 LYS+ 20 10.000% * 0.3886% (0.58 0.02 0.02) = 0.389% HG2 PRO 59 - HE2 LYS+ 20 10.000% * 0.3792% (0.57 0.02 0.02) = 0.379% HB2 LEU 9 - HE2 LYS+ 20 10.000% * 0.3792% (0.57 0.02 0.02) = 0.379% QG2 ILE 48 - HE2 LYS+ 20 10.000% * 0.2161% (0.32 0.02 0.02) = 0.216% QG1 VAL 62 - HE2 LYS+ 20 10.000% * 0.1268% (0.19 0.02 0.02) = 0.127% QG2 VAL 40 - HE2 LYS+ 20 10.000% * 0.0634% (0.09 0.02 0.02) = 0.063% Peak 1671 (0.69, 1.57, 42.22 ppm): 18 chemical-shift based assignments, quality = 0.582, support = 4.44, residual support = 26.3: O QD1 ILE 19 - HB ILE 19 5.556% * 51.1257% (0.61 10.0 4.02 26.98) = 51.126% kept O HG12 ILE 19 - HB ILE 19 5.556% * 46.2604% (0.55 10.0 5.11 26.98) = 46.260% kept QG2 VAL 94 - HB ILE 19 5.556% * 2.2769% (0.58 1.0 0.95 0.16) = 2.277% kept HG LEU 67 - HB ILE 19 5.556% * 0.0511% (0.61 1.0 0.02 0.13) = 0.051% HG2 PRO 59 - HB ILE 19 5.556% * 0.0497% (0.59 1.0 0.02 0.02) = 0.050% HB2 LEU 9 - HB ILE 19 5.556% * 0.0497% (0.59 1.0 0.02 0.02) = 0.050% QG2 ILE 101 - HB ILE 19 5.556% * 0.0336% (0.40 1.0 0.02 0.02) = 0.034% QG2 ILE 48 - HB ILE 19 5.556% * 0.0270% (0.32 1.0 0.02 0.02) = 0.027% QG1 VAL 62 - HB ILE 19 5.556% * 0.0189% (0.23 1.0 0.02 0.02) = 0.019% HG LEU 67 - HB3 LEU 90 5.556% * 0.0146% (0.17 1.0 0.02 0.02) = 0.015% QD1 ILE 19 - HB3 LEU 90 5.556% * 0.0146% (0.17 1.0 0.02 0.02) = 0.015% HB2 LEU 9 - HB3 LEU 90 5.556% * 0.0142% (0.17 1.0 0.02 0.02) = 0.014% HG2 PRO 59 - HB3 LEU 90 5.556% * 0.0142% (0.17 1.0 0.02 0.02) = 0.014% QG2 VAL 94 - HB3 LEU 90 5.556% * 0.0137% (0.16 1.0 0.02 0.02) = 0.014% HG12 ILE 19 - HB3 LEU 90 5.556% * 0.0132% (0.16 1.0 0.02 0.02) = 0.013% QG2 ILE 101 - HB3 LEU 90 5.556% * 0.0096% (0.11 1.0 0.02 0.02) = 0.010% QG2 ILE 48 - HB3 LEU 90 5.556% * 0.0077% (0.09 1.0 0.02 0.02) = 0.008% QG1 VAL 62 - HB3 LEU 90 5.556% * 0.0054% (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 = 3.45, residual support = 27.0: O QG2 ILE 19 - HB ILE 19 50.000% * 99.9675% (0.27 10.0 3.45 26.98) = 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): 16 chemical-shift based assignments, quality = 0.389, support = 2.28, residual support = 15.9: QE PHE 34 - HE3 LYS+ 32 6.250% * 35.3959% (0.45 2.66 18.96) = 35.396% kept HZ PHE 34 - HE3 LYS+ 32 6.250% * 35.1730% (0.45 2.64 18.96) = 35.173% kept QD PHE 34 - HE3 LYS+ 32 6.250% * 13.2002% (0.17 2.59 18.96) = 13.200% kept HZ2 TRP 51 - HE3 LYS+ 32 6.250% * 8.5872% (0.45 0.64 0.26) = 8.587% kept QD PHE 34 - HE3 LYS+ 111 6.250% * 2.0533% (0.26 0.27 0.02) = 2.053% kept HE22 GLN 102 - HE3 LYS+ 32 6.250% * 1.5281% (0.25 0.20 0.02) = 1.528% kept HN VAL 47 - HE3 LYS+ 32 6.250% * 1.3854% (0.14 0.34 0.02) = 1.385% kept HE ARG+ 53 - HE3 LYS+ 32 6.250% * 0.7703% (0.21 0.12 0.02) = 0.770% QE PHE 34 - HE3 LYS+ 111 6.250% * 0.3974% (0.67 0.02 0.02) = 0.397% HZ2 TRP 51 - HE3 LYS+ 111 6.250% * 0.3974% (0.67 0.02 0.02) = 0.397% HZ PHE 34 - HE3 LYS+ 111 6.250% * 0.3974% (0.67 0.02 0.02) = 0.397% HE22 GLN 102 - HE3 LYS+ 111 6.250% * 0.2250% (0.38 0.02 0.02) = 0.225% HE ARG+ 53 - HE3 LYS+ 111 6.250% * 0.1867% (0.31 0.02 0.02) = 0.187% HN VAL 47 - HE3 LYS+ 111 6.250% * 0.1218% (0.21 0.02 0.02) = 0.122% HN ARG+ 84 - HE3 LYS+ 111 6.250% * 0.1083% (0.18 0.02 0.02) = 0.108% HN ARG+ 84 - HE3 LYS+ 32 6.250% * 0.0726% (0.12 0.02 0.02) = 0.073% 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): 6 chemical-shift based assignments, quality = 0.281, support = 2.34, residual support = 13.5: T HA LEU 43 - HB ILE 68 16.667% * 85.7243% (0.31 10.00 2.52 15.37) = 85.724% kept T HA LYS+ 44 - HB ILE 68 16.667% * 7.2721% (0.05 10.00 0.98 0.72) = 7.272% kept HA ASN 89 - HB ILE 68 16.667% * 6.0605% (0.25 1.00 1.76 4.23) = 6.061% kept HA ILE 48 - HB ILE 68 16.667% * 0.8141% (0.29 1.00 0.20 0.02) = 0.814% HD3 PRO 104 - HB ILE 68 16.667% * 0.0857% (0.31 1.00 0.02 0.02) = 0.086% HB3 SER 27 - HB ILE 68 16.667% * 0.0432% (0.15 1.00 0.02 0.02) = 0.043% 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): 7 chemical-shift based assignments, quality = 0.576, support = 0.992, residual support = 13.9: O HB3 ASP- 115 - HB2 ASP- 115 14.286% * 99.1716% (0.58 10.0 1.00 14.01) = 99.172% kept HB3 HIS+ 6 - HB2 ASP- 115 14.286% * 0.2266% (0.66 1.0 0.02 0.02) = 0.227% HA1 GLY 58 - HB2 ASP- 115 14.286% * 0.2207% (0.65 1.0 0.02 0.02) = 0.221% HB3 PHE 21 - HB2 ASP- 115 14.286% * 0.1571% (0.46 1.0 0.02 0.02) = 0.157% HE3 LYS+ 20 - HB2 ASP- 115 14.286% * 0.1025% (0.30 1.0 0.02 0.17) = 0.103% HE3 LYS+ 120 - HB2 ASP- 115 14.286% * 0.0706% (0.21 1.0 0.02 0.02) = 0.071% HB2 HIS+ 5 - HB2 ASP- 115 14.286% * 0.0509% (0.15 1.0 0.02 0.02) = 0.051% 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 = 0.459, support = 0.992, residual support = 13.9: O T HB2 ASP- 115 - HB3 ASP- 115 25.000% * 99.2089% (0.46 10.0 10.00 1.00 14.01) = 99.209% kept HA1 GLY 58 - HB3 ASP- 115 25.000% * 0.6541% (0.78 1.0 1.00 0.08 0.02) = 0.654% HB3 ASP- 36 - HB3 ASP- 115 25.000% * 0.1099% (0.51 1.0 1.00 0.02 0.02) = 0.110% HB2 ASP- 36 - HB3 ASP- 115 25.000% * 0.0270% (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 = 2.54, residual support = 15.3: T HB3 LEU 43 - HB ILE 68 8.333% * 70.6076% (0.32 10.00 2.37 15.37) = 70.608% kept T HB2 LEU 43 - HB ILE 68 8.333% * 29.0277% (0.13 10.00 3.00 15.37) = 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 0.02) = 0.014% Peak 1696 (1.59, 2.80, 41.88 ppm): 20 chemical-shift based assignments, quality = 0.767, support = 2.33, residual support = 36.7: O HD3 LYS+ 32 - HE3 LYS+ 32 5.000% * 82.4561% (0.78 10.0 2.12 37.58) = 82.456% kept HB3 LYS+ 32 - HE3 LYS+ 32 5.000% * 15.1894% (0.76 1.0 3.79 37.58) = 15.189% kept HG2 LYS+ 110 - HE3 LYS+ 111 5.000% * 1.5954% (0.61 1.0 0.50 0.02) = 1.595% 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 0.10) = 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 0.10) = 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): 24 chemical-shift based assignments, quality = 0.569, support = 0.731, residual support = 1.22: HB2 LEU 67 - HB2 LEU 43 4.167% * 37.0635% (0.67 1.12 1.80) = 37.063% kept HB2 LEU 67 - HB3 LEU 43 4.167% * 30.4216% (0.78 0.79 1.80) = 30.422% kept HB3 ARG+ 22 - HB3 LEU 43 4.167% * 5.8929% (0.49 0.24 0.02) = 5.893% kept HB3 ARG+ 22 - HB2 LEU 43 4.167% * 5.6008% (0.42 0.27 0.02) = 5.601% kept HG2 LYS+ 110 - HB3 LEU 43 4.167% * 3.9245% (0.24 0.33 0.02) = 3.924% kept HG3 LYS+ 110 - HB3 LEU 43 4.167% * 3.4837% (0.22 0.33 0.02) = 3.484% kept HG2 LYS+ 110 - HB2 LEU 43 4.167% * 3.3778% (0.21 0.33 0.02) = 3.378% kept HG3 LYS+ 110 - HB2 LEU 43 4.167% * 2.9984% (0.19 0.33 0.02) = 2.998% kept HG LEU 23 - HB3 LEU 43 4.167% * 0.8098% (0.82 0.02 0.02) = 0.810% HG12 ILE 101 - HB3 LEU 43 4.167% * 0.7677% (0.78 0.02 0.02) = 0.768% HB ILE 100 - HB3 LEU 43 4.167% * 0.7677% (0.78 0.02 0.02) = 0.768% HG LEU 23 - HB2 LEU 43 4.167% * 0.6970% (0.71 0.02 0.02) = 0.697% HB ILE 100 - HB2 LEU 43 4.167% * 0.6608% (0.67 0.02 0.02) = 0.661% HG12 ILE 101 - HB2 LEU 43 4.167% * 0.6608% (0.67 0.02 0.02) = 0.661% HG3 LYS+ 78 - HB3 LEU 43 4.167% * 0.5192% (0.53 0.02 0.02) = 0.519% HG3 LYS+ 78 - HB2 LEU 43 4.167% * 0.4469% (0.45 0.02 0.02) = 0.447% HB3 MET 97 - HB3 LEU 43 4.167% * 0.4167% (0.42 0.02 0.02) = 0.417% HB3 MET 97 - HB2 LEU 43 4.167% * 0.3586% (0.36 0.02 0.02) = 0.359% HB2 HIS+ 8 - HB3 LEU 43 4.167% * 0.2380% (0.24 0.02 0.02) = 0.238% HG3 ARG+ 84 - HB3 LEU 43 4.167% * 0.2380% (0.24 0.02 0.02) = 0.238% HG3 ARG+ 84 - HB2 LEU 43 4.167% * 0.2049% (0.21 0.02 0.02) = 0.205% HB2 HIS+ 8 - HB2 LEU 43 4.167% * 0.2049% (0.21 0.02 0.02) = 0.205% HB3 LEU 17 - HB3 LEU 43 4.167% * 0.1321% (0.13 0.02 0.02) = 0.132% HB3 LEU 17 - HB2 LEU 43 4.167% * 0.1137% (0.12 0.02 0.02) = 0.114% Peak 1698 (1.44, 2.75, 41.95 ppm): 20 chemical-shift based assignments, quality = 0.243, support = 0.943, residual support = 5.52: HG LEU 74 - HE3 LYS+ 20 5.000% * 34.1730% (0.05 1.00 2.65 16.13) = 34.173% kept T HD3 LYS+ 113 - HB3 ASP- 115 5.000% * 26.3376% (0.46 10.00 0.02 0.02) = 26.338% kept HG3 LYS+ 108 - HB3 ASP- 115 5.000% * 14.8900% (0.29 1.00 0.18 0.02) = 14.890% kept T HD3 LYS+ 113 - HE3 LYS+ 20 5.000% * 6.4170% (0.11 10.00 0.02 0.02) = 6.417% kept HG LEU 90 - HB3 ASP- 115 5.000% * 3.1532% (0.55 1.00 0.02 0.02) = 3.153% kept HB3 LYS+ 60 - HB3 ASP- 115 5.000% * 3.1253% (0.55 1.00 0.02 0.02) = 3.125% kept HG3 LYS+ 55 - HB3 ASP- 115 5.000% * 2.7352% (0.48 1.00 0.02 0.02) = 2.735% kept HG3 LYS+ 108 - HE3 LYS+ 20 5.000% * 1.8722% (0.07 1.00 0.09 0.02) = 1.872% kept HD3 LYS+ 44 - HB3 ASP- 115 5.000% * 1.6590% (0.29 1.00 0.02 0.02) = 1.659% kept HG LEU 74 - HB3 ASP- 115 5.000% * 1.0587% (0.19 1.00 0.02 0.02) = 1.059% kept HG LEU 90 - HE3 LYS+ 20 5.000% * 0.7683% (0.13 1.00 0.02 0.02) = 0.768% HB3 LYS+ 60 - HE3 LYS+ 20 5.000% * 0.7615% (0.13 1.00 0.02 0.85) = 0.761% HG3 LYS+ 55 - HE3 LYS+ 20 5.000% * 0.6664% (0.12 1.00 0.02 0.02) = 0.666% QG2 THR 38 - HB3 ASP- 115 5.000% * 0.5522% (0.10 1.00 0.02 0.02) = 0.552% QB ALA 37 - HB3 ASP- 115 5.000% * 0.5522% (0.10 1.00 0.02 0.02) = 0.552% HB3 LEU 67 - HB3 ASP- 115 5.000% * 0.4865% (0.09 1.00 0.02 0.02) = 0.487% HD3 LYS+ 44 - HE3 LYS+ 20 5.000% * 0.4042% (0.07 1.00 0.02 0.02) = 0.404% QB ALA 37 - HE3 LYS+ 20 5.000% * 0.1345% (0.02 1.00 0.02 0.02) = 0.135% QG2 THR 38 - HE3 LYS+ 20 5.000% * 0.1345% (0.02 1.00 0.02 0.02) = 0.135% HB3 LEU 67 - HE3 LYS+ 20 5.000% * 0.1185% (0.02 1.00 0.02 0.02) = 0.119% Peak 1699 (1.39, 2.62, 42.03 ppm): 12 chemical-shift based assignments, quality = 0.253, support = 1.69, residual support = 19.5: O HD3 LYS+ 20 - HE2 LYS+ 20 8.333% * 77.4792% (0.28 10.0 1.47 19.76) = 77.479% kept HB2 LYS+ 20 - HE2 LYS+ 20 8.333% * 10.1451% (0.22 1.0 2.46 19.76) = 10.145% kept HB3 LYS+ 20 - HE2 LYS+ 20 8.333% * 6.6595% (0.13 1.0 2.75 19.76) = 6.659% kept HG LEU 74 - HE2 LYS+ 20 8.333% * 5.3757% (0.13 1.0 2.20 16.13) = 5.376% kept QG2 THR 39 - HE2 LYS+ 20 8.333% * 0.0741% (0.20 1.0 0.02 0.02) = 0.074% QB ALA 42 - HE2 LYS+ 20 8.333% * 0.0611% (0.16 1.0 0.02 0.02) = 0.061% HG2 LYS+ 78 - HE2 LYS+ 20 8.333% * 0.0525% (0.14 1.0 0.02 0.02) = 0.053% QB ALA 37 - HE2 LYS+ 20 8.333% * 0.0525% (0.14 1.0 0.02 0.02) = 0.053% QG2 THR 38 - HE2 LYS+ 20 8.333% * 0.0525% (0.14 1.0 0.02 0.02) = 0.053% HG3 LYS+ 108 - HE2 LYS+ 20 8.333% * 0.0166% (0.04 1.0 0.02 0.02) = 0.017% HD3 LYS+ 44 - HE2 LYS+ 20 8.333% * 0.0166% (0.04 1.0 0.02 0.02) = 0.017% QB ALA 91 - HE2 LYS+ 20 8.333% * 0.0146% (0.04 1.0 0.02 0.02) = 0.015% 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 = 0.439, support = 2.32, residual support = 11.9: T HB ILE 68 - HB3 LEU 43 8.333% * 37.9348% (0.29 10.00 2.37 15.37) = 37.935% kept T HB ILE 68 - HB2 LEU 43 8.333% * 29.5437% (0.23 10.00 3.00 15.37) = 29.544% kept HG LEU 74 - HB3 LEU 43 8.333% * 14.1345% (0.94 1.00 2.34 5.32) = 14.134% kept HG LEU 74 - HB2 LEU 43 8.333% * 8.3810% (0.73 1.00 1.78 5.32) = 8.381% kept HB2 LEU 74 - HB2 LEU 43 8.333% * 4.3074% (0.64 1.00 1.04 5.32) = 4.307% kept HG3 PRO 59 - HB3 LEU 43 8.333% * 1.7757% (0.92 1.00 0.30 0.02) = 1.776% kept HB2 LEU 74 - HB3 LEU 43 8.333% * 1.4157% (0.83 1.00 0.27 5.32) = 1.416% kept HG3 PRO 59 - HB2 LEU 43 8.333% * 1.3829% (0.72 1.00 0.30 0.02) = 1.383% kept HB3 LYS+ 66 - HB3 LEU 43 8.333% * 0.5510% (0.80 1.00 0.11 0.02) = 0.551% HB3 LYS+ 66 - HB2 LEU 43 8.333% * 0.3663% (0.62 1.00 0.09 0.02) = 0.366% QG2 THR 106 - HB3 LEU 43 8.333% * 0.1163% (0.90 1.00 0.02 0.02) = 0.116% QG2 THR 106 - HB2 LEU 43 8.333% * 0.0905% (0.70 1.00 0.02 0.02) = 0.091% Peak 1706 (0.87, 1.17, 41.85 ppm): 13 chemical-shift based assignments, quality = 0.395, support = 1.51, residual support = 2.86: HG LEU 74 - HB ILE 68 7.692% * 50.8852% (0.30 2.48 5.42) = 50.885% kept QG2 VAL 122 - HB ILE 68 7.692% * 25.0937% (0.63 0.59 0.25) = 25.094% kept QG1 VAL 122 - HB ILE 68 7.692% * 14.6642% (0.36 0.60 0.25) = 14.664% kept QD1 LEU 90 - HB ILE 68 7.692% * 4.9314% (0.59 0.12 0.02) = 4.931% kept QG2 ILE 100 - HB ILE 68 7.692% * 0.8167% (0.61 0.02 1.01) = 0.817% QG1 VAL 40 - HB ILE 68 7.692% * 0.6913% (0.51 0.02 0.02) = 0.691% QG2 VAL 125 - HB ILE 68 7.692% * 0.6598% (0.49 0.02 0.02) = 0.660% QG2 VAL 47 - HB ILE 68 7.692% * 0.6269% (0.47 0.02 0.02) = 0.627% HB ILE 101 - HB ILE 68 7.692% * 0.4888% (0.36 0.02 0.02) = 0.489% QG1 VAL 80 - HB ILE 68 7.692% * 0.3549% (0.26 0.02 0.02) = 0.355% HG3 LYS+ 117 - HB ILE 68 7.692% * 0.3549% (0.26 0.02 0.02) = 0.355% HG2 LYS+ 117 - HB ILE 68 7.692% * 0.2400% (0.18 0.02 0.02) = 0.240% QG2 VAL 13 - HB ILE 68 7.692% * 0.1922% (0.14 0.02 0.02) = 0.192% 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): 22 chemical-shift based assignments, quality = 0.168, support = 1.17, residual support = 5.79: QD1 ILE 68 - HE3 LYS+ 20 4.545% * 47.1753% (0.24 0.65 1.18) = 47.175% kept HG LEU 74 - HE3 LYS+ 20 4.545% * 32.3937% (0.04 2.65 16.13) = 32.394% kept QD2 LEU 9 - HB3 ASP- 115 4.545% * 2.0621% (0.33 0.02 0.02) = 2.062% kept QD1 ILE 68 - HB3 ASP- 115 4.545% * 2.0621% (0.33 0.02 0.02) = 2.062% kept QG2 VAL 40 - HB3 ASP- 115 4.545% * 1.9550% (0.32 0.02 0.02) = 1.955% kept QD1 LEU 9 - HB3 ASP- 115 4.545% * 1.9078% (0.31 0.02 0.02) = 1.908% kept HG3 LYS+ 66 - HB3 ASP- 115 4.545% * 1.6549% (0.27 0.02 0.02) = 1.655% kept QD2 LEU 9 - HE3 LYS+ 20 4.545% * 1.4575% (0.24 0.02 0.02) = 1.457% kept QG2 VAL 40 - HE3 LYS+ 20 4.545% * 1.3818% (0.22 0.02 0.02) = 1.382% kept QD1 LEU 9 - HE3 LYS+ 20 4.545% * 1.3484% (0.22 0.02 0.02) = 1.348% kept HG3 LYS+ 66 - HE3 LYS+ 20 4.545% * 1.1697% (0.19 0.02 0.02) = 1.170% kept QG2 ILE 48 - HB3 ASP- 115 4.545% * 1.0873% (0.18 0.02 0.02) = 1.087% kept QG2 ILE 101 - HB3 ASP- 115 4.545% * 0.8496% (0.14 0.02 0.02) = 0.850% QG2 ILE 48 - HE3 LYS+ 20 4.545% * 0.7685% (0.12 0.02 0.02) = 0.769% QG2 ILE 101 - HE3 LYS+ 20 4.545% * 0.6005% (0.10 0.02 0.02) = 0.601% HG2 PRO 59 - HB3 ASP- 115 4.545% * 0.3619% (0.06 0.02 0.02) = 0.362% HB2 LEU 9 - HB3 ASP- 115 4.545% * 0.3619% (0.06 0.02 0.02) = 0.362% HG LEU 74 - HB3 ASP- 115 4.545% * 0.3459% (0.06 0.02 0.02) = 0.346% HG LEU 67 - HB3 ASP- 115 4.545% * 0.3189% (0.05 0.02 0.02) = 0.319% HB2 LEU 9 - HE3 LYS+ 20 4.545% * 0.2558% (0.04 0.02 0.02) = 0.256% HG2 PRO 59 - HE3 LYS+ 20 4.545% * 0.2558% (0.04 0.02 0.02) = 0.256% HG LEU 67 - HE3 LYS+ 20 4.545% * 0.2254% (0.04 0.02 0.02) = 0.225% 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): 8 chemical-shift based assignments, quality = 0.368, support = 4.09, residual support = 28.5: O QD1 ILE 68 - HB ILE 68 12.500% * 84.4001% (0.35 10.0 4.61 33.44) = 84.400% kept HG3 LYS+ 44 - HB ILE 68 12.500% * 7.3771% (0.62 1.0 0.98 0.72) = 7.377% kept HG LEU 74 - HB ILE 68 12.500% * 4.6626% (0.16 1.0 2.48 5.42) = 4.663% kept HG3 LYS+ 66 - HB ILE 68 12.500% * 3.2155% (0.62 1.0 0.43 0.02) = 3.215% kept QD1 LEU 9 - HB ILE 68 12.500% * 0.1218% (0.50 1.0 0.02 0.02) = 0.122% HG12 ILE 100 - HB ILE 68 12.500% * 0.0916% (0.38 1.0 0.02 1.01) = 0.092% QD2 LEU 9 - HB ILE 68 12.500% * 0.0844% (0.35 1.0 0.02 0.02) = 0.084% QG2 VAL 40 - HB ILE 68 12.500% * 0.0469% (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 = 2.88, residual support = 49.3: O QD2 LEU 43 - HB3 LEU 43 50.000% * 56.2177% (0.54 10.0 2.39 49.32) = 56.218% kept O QD2 LEU 43 - HB2 LEU 43 50.000% * 43.7823% (0.42 10.0 3.50 49.32) = 43.782% kept Peak 1713 (0.47, 1.17, 41.84 ppm): 3 chemical-shift based assignments, quality = 0.27, support = 2.23, residual support = 17.3: T QD2 LEU 74 - HB ILE 68 33.333% * 40.3784% (0.15 1.0 10.00 2.07 5.42) = 40.378% kept O QG2 ILE 68 - HB ILE 68 33.333% * 33.0343% (0.17 10.0 1.00 1.47 33.44) = 33.034% kept QD2 LEU 43 - HB ILE 68 33.333% * 26.5874% (0.58 1.0 1.00 3.40 15.37) = 26.587% kept Peak 1714 (-0.08, 1.17, 41.84 ppm): 2 chemical-shift based assignments, quality = 0.184, support = 3.16, residual support = 12.2: T QD1 LEU 43 - HB ILE 68 50.000% * 68.0795% (0.18 10.00 4.20 15.37) = 68.079% kept T QD1 LEU 74 - HB ILE 68 50.000% * 31.9205% (0.18 10.00 0.94 5.42) = 31.921% kept Peak 1715 (9.32, 1.92, 41.46 ppm): 2 chemical-shift based assignments, quality = 0.246, support = 5.47, residual support = 63.2: O HN ILE 29 - HB ILE 29 50.000% * 96.7154% (0.25 10.0 5.60 65.06) = 96.715% kept HN ILE 29 - HB2 LEU 23 50.000% * 3.2846% (0.10 1.0 1.76 8.51) = 3.285% 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): 10 chemical-shift based assignments, quality = 0.391, support = 0.914, residual support = 1.38: HB3 GLU- 50 - HB2 LEU 23 10.000% * 27.8718% (0.48 1.18 0.84) = 27.872% kept HB ILE 48 - HB ILE 29 10.000% * 19.3795% (0.34 1.16 3.79) = 19.379% kept HB ILE 48 - HB2 LEU 23 10.000% * 13.3335% (0.48 0.56 0.02) = 13.333% kept HB2 GLN 16 - HB2 LEU 23 10.000% * 12.9718% (0.40 0.66 1.98) = 12.972% kept HB2 GLN 16 - HB ILE 29 10.000% * 12.4450% (0.28 0.90 0.61) = 12.445% kept HB3 GLU- 50 - HB ILE 29 10.000% * 11.6036% (0.34 0.69 0.65) = 11.604% kept HB VAL 94 - HB2 LEU 23 10.000% * 1.2445% (0.08 0.32 0.02) = 1.245% kept HB2 HIS+ 7 - HB2 LEU 23 10.000% * 1.0455% (0.07 0.30 0.02) = 1.046% kept HB VAL 94 - HB ILE 29 10.000% * 0.0559% (0.06 0.02 0.02) = 0.056% HB2 HIS+ 7 - HB ILE 29 10.000% * 0.0490% (0.05 0.02 0.02) = 0.049% 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 = 3.34, residual support = 26.8: O HN ASP- 82 - HB3 ASP- 82 33.333% * 99.8911% (0.16 10.0 3.34 26.82) = 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 = 3.35, residual support = 26.7: O HN ASP- 82 - HB2 ASP- 82 33.333% * 99.5656% (0.09 10.0 3.37 26.82) = 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): 19 chemical-shift based assignments, quality = 0.0581, support = 1.75, residual support = 24.0: O HA ASP- 82 - HB3 ASP- 82 5.263% * 89.1592% (0.05 10.0 1.93 26.82) = 89.159% kept HA ASN 89 - HB3 ASP- 82 5.263% * 5.9382% (0.16 1.0 0.43 0.21) = 5.938% kept HA HIS+ 8 - HB3 ASP- 82 5.263% * 1.0290% (0.12 1.0 0.09 2.65) = 1.029% kept HA VAL 73 - HB3 ASP- 82 5.263% * 0.9635% (0.06 1.0 0.18 0.02) = 0.964% HA ALA 42 - HB3 ASP- 82 5.263% * 0.2935% (0.17 1.0 0.02 0.02) = 0.294% HA LYS+ 110 - HB3 ASP- 82 5.263% * 0.2890% (0.17 1.0 0.02 0.02) = 0.289% HB3 SER 49 - HB3 ASP- 82 5.263% * 0.2833% (0.16 1.0 0.02 0.02) = 0.283% HA GLU- 18 - HB3 ASP- 82 5.263% * 0.2764% (0.16 1.0 0.02 0.02) = 0.276% HA GLU- 12 - HB3 ASP- 82 5.263% * 0.2764% (0.16 1.0 0.02 0.02) = 0.276% HA SER 49 - HB3 ASP- 82 5.263% * 0.2686% (0.15 1.0 0.02 0.02) = 0.269% HA GLU- 54 - HB3 ASP- 82 5.263% * 0.2501% (0.14 1.0 0.02 0.02) = 0.250% HA ALA 11 - HB3 ASP- 82 5.263% * 0.2289% (0.13 1.0 0.02 0.02) = 0.229% HB3 HIS+ 14 - HB3 ASP- 82 5.263% * 0.1937% (0.11 1.0 0.02 0.02) = 0.194% HA GLU- 109 - HB3 ASP- 82 5.263% * 0.1695% (0.10 1.0 0.02 0.02) = 0.170% HA PRO 59 - HB3 ASP- 82 5.263% * 0.1124% (0.06 1.0 0.02 0.02) = 0.112% HA LYS+ 108 - HB3 ASP- 82 5.263% * 0.1022% (0.06 1.0 0.02 0.02) = 0.102% HA HIS+ 4 - HB3 ASP- 82 5.263% * 0.0667% (0.04 1.0 0.02 0.02) = 0.067% HA LYS+ 44 - HB3 ASP- 82 5.263% * 0.0531% (0.03 1.0 0.02 0.02) = 0.053% HA2 GLY 114 - HB3 ASP- 82 5.263% * 0.0462% (0.03 1.0 0.02 0.02) = 0.046% Peak 1728 (4.21, 2.17, 41.22 ppm): 17 chemical-shift based assignments, quality = 0.21, support = 2.79, residual support = 25.8: O HA ASP- 82 - HB2 ASP- 82 5.882% * 96.3229% (0.21 10.0 2.88 26.82) = 96.323% kept HA ASN 89 - HB2 ASP- 82 5.882% * 2.7070% (0.23 1.0 0.52 0.21) = 2.707% kept HA GLU- 109 - HB2 ASP- 82 5.882% * 0.1108% (0.24 1.0 0.02 0.02) = 0.111% HB3 HIS+ 14 - HB2 ASP- 82 5.882% * 0.1108% (0.24 1.0 0.02 0.02) = 0.111% HA ALA 11 - HB2 ASP- 82 5.882% * 0.1072% (0.23 1.0 0.02 0.02) = 0.107% HA GLU- 12 - HB2 ASP- 82 5.882% * 0.0928% (0.20 1.0 0.02 0.02) = 0.093% HB3 SER 49 - HB2 ASP- 82 5.882% * 0.0889% (0.19 1.0 0.02 0.02) = 0.089% HA LYS+ 110 - HB2 ASP- 82 5.882% * 0.0849% (0.19 1.0 0.02 0.02) = 0.085% HA ALA 42 - HB2 ASP- 82 5.882% * 0.0806% (0.18 1.0 0.02 0.02) = 0.081% HA GLU- 64 - HB2 ASP- 82 5.882% * 0.0674% (0.15 1.0 0.02 0.02) = 0.067% HA GLU- 18 - HB2 ASP- 82 5.882% * 0.0417% (0.09 1.0 0.02 0.02) = 0.042% HA MET 126 - HB2 ASP- 82 5.882% * 0.0379% (0.08 1.0 0.02 0.02) = 0.038% HA SER 49 - HB2 ASP- 82 5.882% * 0.0379% (0.08 1.0 0.02 0.02) = 0.038% HA VAL 73 - HB2 ASP- 82 5.882% * 0.0323% (0.07 1.0 0.02 0.02) = 0.032% HA GLU- 54 - HB2 ASP- 82 5.882% * 0.0309% (0.07 1.0 0.02 0.02) = 0.031% HA LYS+ 44 - HB2 ASP- 82 5.882% * 0.0243% (0.05 1.0 0.02 0.02) = 0.024% HA HIS+ 8 - HB2 ASP- 82 5.882% * 0.0220% (0.05 1.0 0.02 2.65) = 0.022% Peak 1730 (2.97, 1.92, 41.19 ppm): 6 chemical-shift based assignments, quality = 0.786, support = 2.45, residual support = 10.7: HB2 PHE 21 - HB ILE 29 16.667% * 62.8357% (0.88 3.33 16.57) = 62.836% kept HE3 LYS+ 113 - HB ILE 29 16.667% * 14.5627% (0.74 0.92 0.02) = 14.563% kept HA1 GLY 58 - HB ILE 29 16.667% * 13.1102% (0.48 1.28 2.32) = 13.110% kept HE2 LYS+ 117 - HB ILE 29 16.667% * 9.0329% (0.71 0.60 0.02) = 9.033% kept HB3 ASN 76 - HB ILE 29 16.667% * 0.2597% (0.61 0.02 0.02) = 0.260% HE3 LYS+ 55 - HB ILE 29 16.667% * 0.1989% (0.46 0.02 0.02) = 0.199% Peak 1732 (2.65, 2.17, 41.24 ppm): 4 chemical-shift based assignments, quality = 0.232, support = 2.75, residual support = 25.9: O HB3 ASP- 82 - HB2 ASP- 82 25.000% * 96.4374% (0.23 10.0 2.83 26.82) = 96.437% kept HA1 GLY 58 - HB2 ASP- 82 25.000% * 3.4900% (0.29 1.0 0.58 0.02) = 3.490% kept HE2 LYS+ 120 - HB2 ASP- 82 25.000% * 0.0540% (0.13 1.0 0.02 0.02) = 0.054% HB2 HIS+ 6 - HB2 ASP- 82 25.000% * 0.0186% (0.04 1.0 0.02 0.02) = 0.019% Peak 1733 (2.17, 2.65, 41.23 ppm): 11 chemical-shift based assignments, quality = 0.234, support = 2.6, residual support = 24.2: O T HB2 ASP- 82 - HB3 ASP- 82 9.091% * 90.0564% (0.25 10.0 10.00 2.83 26.82) = 90.056% kept T HA1 GLY 58 - HB3 ASP- 82 9.091% * 7.5285% (0.07 1.0 10.00 0.56 0.02) = 7.529% kept HG3 GLN 16 - HB3 ASP- 82 9.091% * 1.6879% (0.26 1.0 1.00 0.36 0.02) = 1.688% kept HG2 PRO 104 - HB3 ASP- 82 9.091% * 0.3731% (0.23 1.0 1.00 0.09 0.02) = 0.373% HG2 GLN 102 - HB3 ASP- 82 9.091% * 0.0919% (0.25 1.0 1.00 0.02 0.02) = 0.092% HG2 GLN 16 - HB3 ASP- 82 9.091% * 0.0795% (0.22 1.0 1.00 0.02 0.02) = 0.080% HB3 PRO 104 - HB3 ASP- 82 9.091% * 0.0762% (0.21 1.0 1.00 0.02 0.02) = 0.076% HB3 GLU- 75 - HB3 ASP- 82 9.091% * 0.0388% (0.11 1.0 1.00 0.02 0.02) = 0.039% HG2 MET 126 - HB3 ASP- 82 9.091% * 0.0265% (0.07 1.0 1.00 0.02 0.02) = 0.026% HB3 LYS+ 78 - HB3 ASP- 82 9.091% * 0.0265% (0.07 1.0 1.00 0.02 0.02) = 0.026% HB2 LYS+ 113 - HB3 ASP- 82 9.091% * 0.0147% (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 = 0.848, support = 5.17, residual support = 64.1: O QG2 ILE 29 - HB ILE 29 11.111% * 51.4112% (0.89 10.0 4.93 65.06) = 51.411% kept O HG12 ILE 29 - HB ILE 29 11.111% * 47.1432% (0.81 10.0 5.58 65.06) = 47.143% kept HG LEU 74 - HB ILE 29 11.111% * 1.2248% (0.66 1.0 0.64 0.19) = 1.225% kept HG3 LYS+ 63 - HB ILE 29 11.111% * 0.0539% (0.93 1.0 0.02 0.02) = 0.054% HG12 ILE 68 - HB ILE 29 11.111% * 0.0514% (0.89 1.0 0.02 0.02) = 0.051% QG2 VAL 62 - HB ILE 29 11.111% * 0.0487% (0.84 1.0 0.02 0.02) = 0.049% QG1 VAL 105 - HB ILE 29 11.111% * 0.0308% (0.53 1.0 0.02 0.02) = 0.031% QD1 LEU 17 - HB ILE 29 11.111% * 0.0286% (0.49 1.0 0.02 5.11) = 0.029% QG2 VAL 99 - HB ILE 29 11.111% * 0.0074% (0.13 1.0 0.02 0.02) = 0.007% 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 = 2.36, residual support = 8.25: T HG LEU 74 - HB ILE 100 100.000% *100.0000% (0.13 10.00 2.36 8.25) = 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): 5 chemical-shift based assignments, quality = 0.531, support = 2.27, residual support = 23.0: O HA ASP- 25 - HB3 ASP- 25 20.000% * 97.2131% (0.54 10.0 2.31 23.63) = 97.213% kept HA ASN 89 - HB3 ASP- 25 20.000% * 2.5782% (0.32 1.0 0.90 0.16) = 2.578% kept HA HIS+ 6 - HB3 ASP- 25 20.000% * 0.1089% (0.60 1.0 0.02 0.02) = 0.109% HA LEU 9 - HB3 ASP- 25 20.000% * 0.0785% (0.43 1.0 0.02 0.02) = 0.079% HA LYS+ 72 - HB3 ASP- 25 20.000% * 0.0213% (0.12 1.0 0.02 0.02) = 0.021% Peak 1751 (4.60, 2.62, 40.12 ppm): 4 chemical-shift based assignments, quality = 0.617, support = 2.27, residual support = 22.9: O HA ASP- 25 - HB2 ASP- 25 25.000% * 96.9777% (0.62 10.0 2.31 23.63) = 96.978% kept HA ASN 89 - HB2 ASP- 25 25.000% * 2.8204% (0.40 1.0 0.90 0.16) = 2.820% kept HA HIS+ 6 - HB2 ASP- 25 25.000% * 0.1263% (0.81 1.0 0.02 0.02) = 0.126% HA LEU 9 - HB2 ASP- 25 25.000% * 0.0756% (0.49 1.0 0.02 0.02) = 0.076% Peak 1753 (2.63, 3.10, 40.14 ppm): 5 chemical-shift based assignments, quality = 0.424, support = 1.95, residual support = 23.0: O T HB2 ASP- 25 - HB3 ASP- 25 20.000% * 97.1393% (0.42 10.0 10.00 2.00 23.63) = 97.139% kept HA1 GLY 58 - HB3 ASP- 25 20.000% * 2.6019% (0.61 1.0 1.00 0.37 0.02) = 2.602% kept HB3 ASP- 82 - HB3 ASP- 25 20.000% * 0.1181% (0.51 1.0 1.00 0.02 0.02) = 0.118% HE2 LYS+ 20 - HB3 ASP- 25 20.000% * 0.1027% (0.44 1.0 1.00 0.02 0.02) = 0.103% HB3 ASP- 36 - HB3 ASP- 25 20.000% * 0.0380% (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 23.63) = 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): 8 chemical-shift based assignments, quality = 0.282, support = 1.09, residual support = 2.36: QG2 ILE 29 - HB3 ASN 15 12.500% * 41.7599% (0.31 1.50 3.40) = 41.760% kept HG12 ILE 29 - HB3 ASN 15 12.500% * 27.4528% (0.27 1.11 3.40) = 27.453% kept HG LEU 74 - HB3 ASN 15 12.500% * 16.0956% (0.24 0.73 0.02) = 16.096% kept HG12 ILE 68 - HB3 ASN 15 12.500% * 11.0908% (0.31 0.40 0.02) = 11.091% kept QG2 VAL 62 - HB3 ASN 15 12.500% * 2.4227% (0.28 0.09 0.02) = 2.423% kept HG3 LYS+ 63 - HB3 ASN 15 12.500% * 0.5984% (0.33 0.02 0.02) = 0.598% QG1 VAL 105 - HB3 ASN 15 12.500% * 0.3018% (0.17 0.02 0.02) = 0.302% QD1 LEU 17 - HB3 ASN 15 12.500% * 0.2780% (0.15 0.02 1.49) = 0.278% Peak 1760 (2.99, 2.76, 39.84 ppm): 6 chemical-shift based assignments, quality = 0.522, support = 0.253, residual support = 0.159: T HA1 GLY 58 - HB3 ASN 15 16.667% * 93.9319% (0.50 10.00 0.27 0.17) = 93.932% kept HE3 LYS+ 55 - HB3 ASN 15 16.667% * 1.3747% (0.99 1.00 0.02 0.02) = 1.375% kept HB3 ASN 76 - HB3 ASN 15 16.667% * 1.3504% (0.97 1.00 0.02 0.02) = 1.350% kept HE2 LYS+ 117 - HB3 ASN 15 16.667% * 1.2718% (0.91 1.00 0.02 0.02) = 1.272% kept HE3 LYS+ 113 - HB3 ASN 15 16.667% * 1.2356% (0.89 1.00 0.02 0.02) = 1.236% kept HB2 PHE 21 - HB3 ASN 15 16.667% * 0.8356% (0.60 1.00 0.02 0.57) = 0.836% Not enough total support, support cutoff is 0.44 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): 12 chemical-shift based assignments, quality = 0.523, support = 4.9, residual support = 31.0: HN SER 49 - HB ILE 48 8.333% * 75.9435% (0.50 6.13 39.04) = 75.943% kept HN LEU 67 - HB ILE 48 8.333% * 20.1889% (0.67 1.21 6.79) = 20.189% kept HN MET 118 - HB ILE 48 8.333% * 1.8835% (0.65 0.12 0.02) = 1.883% kept HN GLU- 12 - HB ILE 48 8.333% * 0.3536% (0.71 0.02 0.02) = 0.354% HN LYS+ 81 - HB ILE 48 8.333% * 0.3330% (0.67 0.02 0.02) = 0.333% HN GLY 58 - HB ILE 48 8.333% * 0.3013% (0.60 0.02 0.02) = 0.301% HN THR 106 - HB ILE 48 8.333% * 0.3013% (0.60 0.02 0.02) = 0.301% HN ASP- 115 - HB ILE 48 8.333% * 0.2757% (0.55 0.02 0.02) = 0.276% HN GLN 16 - HB ILE 48 8.333% * 0.1617% (0.32 0.02 0.02) = 0.162% HN HIS+ 7 - HB ILE 48 8.333% * 0.1230% (0.25 0.02 0.02) = 0.123% HN VAL 94 - HB ILE 48 8.333% * 0.0714% (0.14 0.02 0.02) = 0.071% HN VAL 105 - HB ILE 48 8.333% * 0.0632% (0.13 0.02 0.02) = 0.063% Peak 1767 (8.20, 2.80, 38.93 ppm): 24 chemical-shift based assignments, quality = 0.112, support = 0.978, residual support = 6.02: O HN ASN 119 - HB2 ASN 119 4.167% * 47.8990% (0.12 10.0 1.00 6.56) = 47.899% kept O HN ASN 119 - HB3 ASN 119 4.167% * 37.9565% (0.09 10.0 1.09 6.56) = 37.957% kept HN VAL 94 - HB3 ASN 89 4.167% * 5.4911% (0.32 1.0 0.44 6.57) = 5.491% kept HN LYS+ 120 - HB2 ASN 119 4.167% * 3.7817% (0.07 1.0 1.47 0.44) = 3.782% kept HN LYS+ 120 - HB3 ASN 119 4.167% * 1.1851% (0.05 1.0 0.63 0.44) = 1.185% kept HN LYS+ 117 - HB3 ASN 89 4.167% * 0.5576% (0.71 1.0 0.02 0.02) = 0.558% HN ALA 33 - HB3 ASN 89 4.167% * 0.5287% (0.67 1.0 0.02 0.02) = 0.529% HN ASN 119 - HB3 ASN 89 4.167% * 0.4668% (0.59 1.0 0.02 0.02) = 0.467% HN GLU- 45 - HB3 ASN 89 4.167% * 0.4058% (0.51 1.0 0.02 3.00) = 0.406% HN ALA 11 - HB3 ASN 89 4.167% * 0.3615% (0.46 1.0 0.02 0.22) = 0.362% HN VAL 105 - HB3 ASN 89 4.167% * 0.2720% (0.35 1.0 0.02 2.35) = 0.272% HN LYS+ 120 - HB3 ASN 89 4.167% * 0.2506% (0.32 1.0 0.02 0.02) = 0.251% HN LYS+ 117 - HB2 ASN 119 4.167% * 0.1144% (0.15 1.0 0.02 0.02) = 0.114% HN ALA 33 - HB2 ASN 119 4.167% * 0.1085% (0.14 1.0 0.02 0.02) = 0.108% HN LYS+ 117 - HB3 ASN 119 4.167% * 0.0835% (0.11 1.0 0.02 0.02) = 0.084% HN GLU- 45 - HB2 ASN 119 4.167% * 0.0833% (0.11 1.0 0.02 0.02) = 0.083% HN ALA 33 - HB3 ASN 119 4.167% * 0.0792% (0.10 1.0 0.02 0.02) = 0.079% HN ALA 11 - HB2 ASN 119 4.167% * 0.0742% (0.09 1.0 0.02 0.02) = 0.074% HN GLU- 45 - HB3 ASN 119 4.167% * 0.0608% (0.08 1.0 0.02 0.02) = 0.061% HN VAL 105 - HB2 ASN 119 4.167% * 0.0558% (0.07 1.0 0.02 0.02) = 0.056% HN ALA 11 - HB3 ASN 119 4.167% * 0.0541% (0.07 1.0 0.02 0.02) = 0.054% HN VAL 94 - HB2 ASN 119 4.167% * 0.0514% (0.07 1.0 0.02 0.02) = 0.051% HN VAL 105 - HB3 ASN 119 4.167% * 0.0407% (0.05 1.0 0.02 0.02) = 0.041% HN VAL 94 - HB3 ASN 119 4.167% * 0.0375% (0.05 1.0 0.02 0.02) = 0.038% Peak 1768 (7.64, 2.80, 38.93 ppm): 12 chemical-shift based assignments, quality = 0.137, support = 0.405, residual support = 0.711: HE22 GLN 16 - HB3 ASN 119 8.333% * 44.5727% (0.09 0.59 0.85) = 44.573% kept HE22 GLN 16 - HB2 ASN 119 8.333% * 34.1001% (0.10 0.41 0.85) = 34.100% kept HE22 GLN 16 - HB3 ASN 89 8.333% * 8.1847% (0.48 0.02 0.02) = 8.185% kept HD21 ASN 57 - HB3 ASN 89 8.333% * 5.4864% (0.33 0.02 0.02) = 5.486% kept HN TYR 83 - HB3 ASN 89 8.333% * 2.2306% (0.13 0.02 1.51) = 2.231% kept HN ASP- 25 - HB3 ASN 89 8.333% * 1.7391% (0.10 0.02 0.16) = 1.739% kept HD21 ASN 57 - HB2 ASN 119 8.333% * 1.1255% (0.07 0.02 0.02) = 1.125% kept HD21 ASN 57 - HB3 ASN 119 8.333% * 1.0133% (0.06 0.02 0.02) = 1.013% kept HN TYR 83 - HB2 ASN 119 8.333% * 0.4576% (0.03 0.02 0.02) = 0.458% HN TYR 83 - HB3 ASN 119 8.333% * 0.4120% (0.02 0.02 0.02) = 0.412% HN ASP- 25 - HB2 ASN 119 8.333% * 0.3568% (0.02 0.02 0.02) = 0.357% HN ASP- 25 - HB3 ASN 119 8.333% * 0.3212% (0.02 0.02 0.02) = 0.321% Not enough quality. Peak unassigned. Peak 1769 (7.07, 2.33, 39.09 ppm): 3 chemical-shift based assignments, quality = 0.304, support = 3.42, residual support = 53.9: O QD TYR 83 - HB2 TYR 83 33.333% * 99.8922% (0.30 10.0 3.42 54.00) = 99.892% kept HE21 GLN 16 - HB2 TYR 83 33.333% * 0.0823% (0.25 1.0 0.02 0.58) = 0.082% QE PHE 21 - HB2 TYR 83 33.333% * 0.0255% (0.08 1.0 0.02 0.02) = 0.025% Peak 1770 (6.89, 2.79, 38.95 ppm): 9 chemical-shift based assignments, quality = 0.234, support = 1.14, residual support = 5.74: O HD21 ASN 119 - HB2 ASN 119 11.111% * 67.3647% (0.19 10.0 1.31 6.56) = 67.365% kept O HD21 ASN 119 - HB3 ASN 119 11.111% * 20.0394% (0.07 10.0 1.00 6.56) = 20.039% kept HD22 ASN 15 - HB3 ASN 89 11.111% * 11.4309% (0.79 1.0 0.54 0.02) = 11.431% kept QD PHE 21 - HB3 ASN 89 11.111% * 0.4534% (0.85 1.0 0.02 0.02) = 0.453% HD21 ASN 119 - HB3 ASN 89 11.111% * 0.3924% (0.73 1.0 0.02 0.02) = 0.392% QD PHE 21 - HB2 ASN 119 11.111% * 0.1191% (0.22 1.0 0.02 0.02) = 0.119% HD22 ASN 15 - HB2 ASN 119 11.111% * 0.1107% (0.21 1.0 0.02 0.02) = 0.111% QD PHE 21 - HB3 ASN 119 11.111% * 0.0463% (0.09 1.0 0.02 0.02) = 0.046% HD22 ASN 15 - HB3 ASN 119 11.111% * 0.0430% (0.08 1.0 0.02 0.02) = 0.043% Peak 1771 (4.72, 2.80, 38.92 ppm): 21 chemical-shift based assignments, quality = 0.245, support = 2.71, residual support = 7.48: O HA ASN 89 - HB3 ASN 89 4.762% * 98.0985% (0.25 10.0 2.76 7.62) = 98.098% kept HA MET 118 - HB2 ASN 119 4.762% * 0.6482% (0.03 1.0 0.99 1.39) = 0.648% HA PRO 31 - HB3 ASN 89 4.762% * 0.3088% (0.79 1.0 0.02 0.43) = 0.309% HA2 GLY 30 - HB3 ASN 89 4.762% * 0.2585% (0.66 1.0 0.02 0.02) = 0.259% HA HIS+ 7 - HB3 ASN 89 4.762% * 0.2002% (0.51 1.0 0.02 0.02) = 0.200% HA PRO 31 - HB2 ASN 119 4.762% * 0.0662% (0.17 1.0 0.02 0.02) = 0.066% HA HIS+ 5 - HB3 ASN 89 4.762% * 0.0612% (0.16 1.0 0.02 0.02) = 0.061% HA MET 118 - HB3 ASN 89 4.762% * 0.0612% (0.16 1.0 0.02 0.02) = 0.061% HA2 GLY 30 - HB2 ASN 119 4.762% * 0.0554% (0.14 1.0 0.02 0.02) = 0.055% HA VAL 40 - HB3 ASN 89 4.762% * 0.0478% (0.12 1.0 0.02 0.02) = 0.048% HA HIS+ 7 - HB2 ASN 119 4.762% * 0.0429% (0.11 1.0 0.02 0.02) = 0.043% HA PRO 31 - HB3 ASN 119 4.762% * 0.0318% (0.08 1.0 0.02 0.02) = 0.032% HA2 GLY 30 - HB3 ASN 119 4.762% * 0.0266% (0.07 1.0 0.02 0.02) = 0.027% HA ASN 89 - HB2 ASN 119 4.762% * 0.0210% (0.05 1.0 0.02 0.02) = 0.021% HA HIS+ 7 - HB3 ASN 119 4.762% * 0.0206% (0.05 1.0 0.02 0.02) = 0.021% HA HIS+ 5 - HB2 ASN 119 4.762% * 0.0131% (0.03 1.0 0.02 0.02) = 0.013% HA VAL 40 - HB2 ASN 119 4.762% * 0.0102% (0.03 1.0 0.02 0.02) = 0.010% HA ASN 89 - HB3 ASN 119 4.762% * 0.0101% (0.03 1.0 0.02 0.02) = 0.010% HA HIS+ 5 - HB3 ASN 119 4.762% * 0.0063% (0.02 1.0 0.02 0.02) = 0.006% HA MET 118 - HB3 ASN 119 4.762% * 0.0063% (0.02 1.0 0.02 1.39) = 0.006% HA VAL 40 - HB3 ASN 119 4.762% * 0.0049% (0.01 1.0 0.02 0.02) = 0.005% 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): 2 chemical-shift based assignments, quality = 0.329, support = 1.99, residual support = 52.8: O T HB3 TYR 83 - HB2 TYR 83 50.000% * 97.7537% (0.33 10.0 10.00 2.00 54.00) = 97.754% kept HA ASN 89 - HB2 TYR 83 50.000% * 2.2463% (0.11 1.0 1.00 1.38 1.51) = 2.246% kept Peak 1779 (2.81, 2.75, 39.03 ppm): 2 diagonal assignments: HB3 ASN 89 - HB3 ASN 89 (0.10) kept HB2 ASN 119 - HB2 ASN 119 (0.04) kept Peak 1781 (2.79, 2.82, 39.01 ppm): 2 diagonal assignments: HB3 ASN 89 - HB3 ASN 89 (0.37) kept HB2 ASN 119 - HB2 ASN 119 (0.09) kept Peak 1786 (2.33, 3.35, 39.10 ppm): 7 chemical-shift based assignments, quality = 0.354, support = 1.97, residual support = 51.9: O HB2 TYR 83 - HB3 TYR 83 14.286% * 95.9650% (0.36 10.0 2.00 54.00) = 95.965% kept HA1 GLY 58 - HB3 TYR 83 14.286% * 3.7901% (0.21 1.0 1.35 0.92) = 3.790% kept HB2 HIS+ 3 - HB3 TYR 83 14.286% * 0.0818% (0.31 1.0 0.02 0.02) = 0.082% HG3 GLU- 50 - HB3 TYR 83 14.286% * 0.0594% (0.22 1.0 0.02 0.02) = 0.059% HB3 PRO 86 - HB3 TYR 83 14.286% * 0.0477% (0.18 1.0 0.02 0.02) = 0.048% HB2 CYS 121 - HB3 TYR 83 14.286% * 0.0367% (0.14 1.0 0.02 0.02) = 0.037% HG3 GLU- 64 - HB3 TYR 83 14.286% * 0.0194% (0.07 1.0 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 = 4.96, residual support = 110.8: O T QD1 ILE 48 - HB ILE 48 33.333% * 42.5895% (0.70 10.0 10.00 6.06 110.84) = 42.589% kept O HG12 ILE 48 - HB ILE 48 33.333% * 42.5895% (0.70 10.0 1.00 3.90 110.84) = 42.589% kept O HG13 ILE 48 - HB ILE 48 33.333% * 14.8211% (0.24 10.0 1.00 4.86 110.84) = 14.821% kept Peak 1791 (7.31, 1.74, 38.80 ppm): 7 chemical-shift based assignments, quality = 0.554, support = 5.03, residual support = 84.6: O HN ILE 48 - HB ILE 48 14.286% * 74.4957% (0.53 10.0 5.79 110.84) = 74.496% kept HN VAL 47 - HB ILE 48 14.286% * 16.3969% (0.62 1.0 3.78 12.14) = 16.397% kept QD PHE 34 - HB ILE 48 14.286% * 4.6970% (0.56 1.0 1.19 0.56) = 4.697% kept HN ARG+ 84 - HB ILE 48 14.286% * 4.3200% (0.65 1.0 0.95 0.31) = 4.320% kept HZ2 TRP 51 - HB ILE 48 14.286% * 0.0302% (0.22 1.0 0.02 1.20) = 0.030% QE PHE 34 - HB ILE 48 14.286% * 0.0302% (0.22 1.0 0.02 0.56) = 0.030% HZ PHE 34 - HB ILE 48 14.286% * 0.0302% (0.22 1.0 0.02 0.56) = 0.030% 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): 11 chemical-shift based assignments, quality = 0.423, support = 6.19, residual support = 105.7: O QG2 ILE 48 - HB ILE 48 9.091% * 95.2377% (0.44 10.0 6.42 110.84) = 95.238% kept HG LEU 74 - HB ILE 48 9.091% * 2.7565% (0.10 1.0 2.46 5.70) = 2.756% kept QG2 ILE 101 - HB ILE 48 9.091% * 1.2927% (0.36 1.0 0.33 0.02) = 1.293% kept QG2 VAL 40 - HB ILE 48 9.091% * 0.1383% (0.63 1.0 0.02 0.02) = 0.138% QD1 ILE 68 - HB ILE 48 9.091% * 0.1312% (0.60 1.0 0.02 0.02) = 0.131% QD2 LEU 9 - HB ILE 48 9.091% * 0.1312% (0.60 1.0 0.02 0.02) = 0.131% QD1 LEU 9 - HB ILE 48 9.091% * 0.1110% (0.51 1.0 0.02 0.02) = 0.111% HG3 LYS+ 66 - HB ILE 48 9.091% * 0.0897% (0.41 1.0 0.02 0.02) = 0.090% HB2 LEU 9 - HB ILE 48 9.091% * 0.0385% (0.18 1.0 0.02 0.02) = 0.039% HG2 PRO 59 - HB ILE 48 9.091% * 0.0385% (0.18 1.0 0.02 0.02) = 0.039% HG LEU 67 - HB ILE 48 9.091% * 0.0346% (0.16 1.0 0.02 6.79) = 0.035% 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): 17 chemical-shift based assignments, quality = 0.215, support = 0.867, residual support = 5.12: HA VAL 65 - HG3 GLU- 64 5.882% * 41.8079% (0.29 0.96 11.50) = 41.808% kept HA GLU- 56 - HG3 GLU- 64 5.882% * 32.6323% (0.16 1.32 0.95) = 32.632% kept HA VAL 73 - HG3 GLU- 64 5.882% * 7.3275% (0.18 0.26 0.02) = 7.327% kept HA ASN 89 - HG3 GLU- 64 5.882% * 6.4306% (0.26 0.17 0.02) = 6.431% kept HA GLU- 75 - HG3 GLU- 64 5.882% * 5.2705% (0.23 0.15 0.02) = 5.271% kept HA SER 85 - HG3 GLU- 64 5.882% * 0.8742% (0.29 0.02 0.02) = 0.874% HA PRO 52 - HG3 GLU- 64 5.882% * 0.8742% (0.29 0.02 0.02) = 0.874% HD3 PRO 59 - HG3 GLU- 64 5.882% * 0.8742% (0.29 0.02 0.36) = 0.874% HA ALA 91 - HG3 GLU- 64 5.882% * 0.8684% (0.29 0.02 0.02) = 0.868% HA ARG+ 84 - HG3 GLU- 64 5.882% * 0.8684% (0.29 0.02 0.02) = 0.868% HA THR 106 - HG3 GLU- 64 5.882% * 0.5668% (0.19 0.02 0.02) = 0.567% HA LEU 90 - HG3 GLU- 64 5.882% * 0.4265% (0.14 0.02 0.02) = 0.426% HA2 GLY 114 - HG3 GLU- 64 5.882% * 0.3928% (0.13 0.02 0.02) = 0.393% HA HIS+ 4 - HG3 GLU- 64 5.882% * 0.2989% (0.10 0.02 0.02) = 0.299% HA LYS+ 108 - HG3 GLU- 64 5.882% * 0.1951% (0.06 0.02 0.02) = 0.195% HA PRO 59 - HG3 GLU- 64 5.882% * 0.1734% (0.06 0.02 0.36) = 0.173% HA PRO 104 - HG3 GLU- 64 5.882% * 0.1186% (0.04 0.02 0.02) = 0.119% 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): 14 chemical-shift based assignments, quality = 0.134, support = 0.14, residual support = 0.384: HB VAL 62 - HG3 GLU- 64 7.143% * 27.2066% (0.15 0.18 0.02) = 27.207% kept HG3 PRO 86 - HG3 GLU- 64 7.143% * 26.9681% (0.15 0.18 1.37) = 26.968% kept HB3 GLU- 75 - HG3 GLU- 64 7.143% * 16.5588% (0.11 0.15 0.02) = 16.559% kept HB2 GLU- 45 - HG3 GLU- 64 7.143% * 11.7769% (0.16 0.08 0.02) = 11.777% kept HB3 GLU- 45 - HG3 GLU- 64 7.143% * 5.7932% (0.07 0.08 0.02) = 5.793% kept HB3 GLU- 10 - HG3 GLU- 64 7.143% * 3.1229% (0.16 0.02 0.02) = 3.123% kept HB3 LYS+ 110 - HG3 GLU- 64 7.143% * 2.3866% (0.12 0.02 0.02) = 2.387% kept HB3 GLU- 107 - HG3 GLU- 64 7.143% * 1.8941% (0.10 0.02 0.02) = 1.894% kept HG3 ARG+ 53 - HG3 GLU- 64 7.143% * 1.2839% (0.07 0.02 0.02) = 1.284% kept HB2 LYS+ 44 - HG3 GLU- 64 7.143% * 0.7787% (0.04 0.02 0.02) = 0.779% HB3 PRO 31 - HG3 GLU- 64 7.143% * 0.7787% (0.04 0.02 0.02) = 0.779% HB2 PRO 112 - HG3 GLU- 64 7.143% * 0.5469% (0.03 0.02 0.02) = 0.547% HB3 LYS+ 120 - HG3 GLU- 64 7.143% * 0.4819% (0.02 0.02 0.02) = 0.482% HB3 PRO 112 - HG3 GLU- 64 7.143% * 0.4226% (0.02 0.02 0.02) = 0.423% Not enough support, support cutoff is 0.22 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): 24 chemical-shift based assignments, quality = 0.475, support = 1.36, residual support = 6.31: HN HIS+ 4 - HG3 GLU- 18 4.167% * 49.9444% (0.65 1.11 1.50) = 49.944% kept HN GLU- 18 - HG3 GLU- 18 4.167% * 43.0591% (0.34 1.86 12.91) = 43.059% kept HN HIS+ 4 - HG3 GLU- 54 4.167% * 2.5867% (0.14 0.27 0.02) = 2.587% kept HN HIS+ 4 - HG3 GLU- 75 4.167% * 0.9163% (0.12 0.11 0.02) = 0.916% HN GLU- 10 - HG3 GLU- 18 4.167% * 0.6536% (0.47 0.02 0.02) = 0.654% HN HIS+ 4 - HG3 GLU- 107 4.167% * 0.3671% (0.27 0.02 0.02) = 0.367% HN GLY 92 - HG3 GLU- 75 4.167% * 0.2953% (0.02 0.26 0.02) = 0.295% HN GLU- 10 - HG3 GLU- 107 4.167% * 0.2666% (0.19 0.02 0.02) = 0.267% HN HIS+ 4 - HG3 GLU- 109 4.167% * 0.2471% (0.18 0.02 0.02) = 0.247% HN HIS+ 4 - HG2 GLU- 56 4.167% * 0.2025% (0.15 0.02 0.02) = 0.202% HN GLU- 18 - HG3 GLU- 107 4.167% * 0.1889% (0.14 0.02 0.16) = 0.189% HN GLU- 10 - HG3 GLU- 109 4.167% * 0.1794% (0.13 0.02 0.02) = 0.179% HN GLU- 10 - HG2 GLU- 56 4.167% * 0.1470% (0.11 0.02 0.02) = 0.147% HN GLU- 10 - HG3 GLU- 54 4.167% * 0.1414% (0.10 0.02 0.02) = 0.141% HN GLY 92 - HG3 GLU- 18 4.167% * 0.1288% (0.09 0.02 0.02) = 0.129% HN GLU- 18 - HG3 GLU- 109 4.167% * 0.1271% (0.09 0.02 0.02) = 0.127% HN GLU- 10 - HG3 GLU- 75 4.167% * 0.1169% (0.08 0.02 0.02) = 0.117% HN GLU- 18 - HG2 GLU- 56 4.167% * 0.1042% (0.08 0.02 0.02) = 0.104% HN GLU- 18 - HG3 GLU- 54 4.167% * 0.1002% (0.07 0.02 0.02) = 0.100% HN GLU- 18 - HG3 GLU- 75 4.167% * 0.0828% (0.06 0.02 0.02) = 0.083% HN GLY 92 - HG3 GLU- 107 4.167% * 0.0525% (0.04 0.02 0.02) = 0.053% HN GLY 92 - HG3 GLU- 109 4.167% * 0.0353% (0.03 0.02 0.02) = 0.035% HN GLY 92 - HG2 GLU- 56 4.167% * 0.0290% (0.02 0.02 0.02) = 0.029% HN GLY 92 - HG3 GLU- 54 4.167% * 0.0279% (0.02 0.02 0.02) = 0.028% Peak 1814 (8.22, 2.46, 36.88 ppm): 24 chemical-shift based assignments, quality = 0.397, support = 2.97, residual support = 16.6: HN GLU- 45 - HG3 GLU- 45 4.167% * 41.6957% (0.46 4.28 25.57) = 41.696% kept HN GLU- 45 - HG2 GLU- 45 4.167% * 22.4120% (0.26 4.09 25.57) = 22.412% kept HN ALA 11 - HG3 GLU- 45 4.167% * 11.6880% (0.51 1.08 0.23) = 11.688% kept HN GLY 58 - HG3 GLU- 45 4.167% * 8.5367% (0.48 0.83 2.31) = 8.537% kept HN ALA 11 - HG2 GLU- 45 4.167% * 5.9195% (0.29 0.97 0.23) = 5.919% kept HN SER 49 - HG3 GLU- 45 4.167% * 2.6608% (0.58 0.22 0.02) = 2.661% kept HN LEU 67 - HG3 GLU- 45 4.167% * 2.3387% (0.40 0.27 0.02) = 2.339% kept HN SER 49 - HG2 GLU- 45 4.167% * 1.8016% (0.33 0.26 0.02) = 1.802% kept HN LYS+ 81 - HG3 GLU- 45 4.167% * 0.6651% (0.40 0.08 0.02) = 0.665% HN LEU 67 - HG2 GLU- 45 4.167% * 0.5758% (0.23 0.12 0.02) = 0.576% HN VAL 94 - HG3 GLU- 45 4.167% * 0.2620% (0.61 0.02 0.16) = 0.262% HN VAL 105 - HG3 GLU- 45 4.167% * 0.2545% (0.60 0.02 0.02) = 0.255% HN MET 118 - HG3 GLU- 45 4.167% * 0.1836% (0.43 0.02 0.02) = 0.184% HN VAL 94 - HG2 GLU- 45 4.167% * 0.1474% (0.35 0.02 0.16) = 0.147% HN VAL 105 - HG2 GLU- 45 4.167% * 0.1432% (0.34 0.02 0.02) = 0.143% HN GLU- 12 - HG3 GLU- 45 4.167% * 0.1381% (0.32 0.02 0.02) = 0.138% HN GLY 58 - HG2 GLU- 45 4.167% * 0.1160% (0.27 0.02 2.31) = 0.116% HN MET 118 - HG2 GLU- 45 4.167% * 0.1033% (0.24 0.02 0.02) = 0.103% HN LYS+ 81 - HG2 GLU- 45 4.167% * 0.0969% (0.23 0.02 0.02) = 0.097% HN LYS+ 117 - HG3 GLU- 45 4.167% * 0.0789% (0.19 0.02 0.02) = 0.079% HN GLU- 12 - HG2 GLU- 45 4.167% * 0.0777% (0.18 0.02 0.02) = 0.078% HN LYS+ 117 - HG2 GLU- 45 4.167% * 0.0444% (0.10 0.02 0.02) = 0.044% HN THR 106 - HG3 GLU- 45 4.167% * 0.0384% (0.09 0.02 0.02) = 0.038% HN THR 106 - HG2 GLU- 45 4.167% * 0.0216% (0.05 0.02 0.02) = 0.022% Peak 1815 (8.23, 2.13, 36.88 ppm): 13 chemical-shift based assignments, quality = 0.377, support = 1.05, residual support = 1.7: HN GLY 58 - HG3 GLU- 56 7.692% * 40.1847% (0.40 1.35 3.52) = 40.185% kept HN SER 49 - HG3 GLU- 56 7.692% * 36.1130% (0.44 1.11 0.60) = 36.113% kept HN GLU- 45 - HG3 GLU- 56 7.692% * 11.7350% (0.22 0.73 0.62) = 11.735% kept HN LYS+ 81 - HG3 GLU- 56 7.692% * 7.4577% (0.36 0.28 0.02) = 7.458% kept HN THR 106 - HG3 GLU- 56 7.692% * 1.3638% (0.11 0.16 0.02) = 1.364% kept HN MET 118 - HG3 GLU- 56 7.692% * 0.5553% (0.38 0.02 0.02) = 0.555% HN LEU 67 - HG3 GLU- 56 7.692% * 0.5324% (0.36 0.02 0.02) = 0.532% HN VAL 94 - HG3 GLU- 56 7.692% * 0.5081% (0.34 0.02 0.02) = 0.508% HN VAL 105 - HG3 GLU- 56 7.692% * 0.4828% (0.33 0.02 0.02) = 0.483% HN GLU- 12 - HG3 GLU- 56 7.692% * 0.4567% (0.31 0.02 0.02) = 0.457% HN ALA 11 - HG3 GLU- 56 7.692% * 0.3764% (0.26 0.02 0.02) = 0.376% HN ASP- 115 - HG3 GLU- 56 7.692% * 0.1316% (0.09 0.02 0.02) = 0.132% HN LYS+ 117 - HG3 GLU- 56 7.692% * 0.1026% (0.07 0.02 0.02) = 0.103% 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): 49 chemical-shift based assignments, quality = 0.354, support = 2.08, residual support = 7.74: O HA GLU- 107 - HG3 GLU- 107 2.041% * 87.3263% (0.36 10.0 2.26 8.74) = 87.326% kept HA MET 97 - HG3 GLU- 18 2.041% * 3.8822% (0.32 1.0 1.01 0.38) = 3.882% kept HA ASN 89 - HG3 GLU- 18 2.041% * 3.8648% (0.20 1.0 1.58 2.30) = 3.865% kept HA GLU- 107 - HG3 GLU- 18 2.041% * 2.7685% (0.65 1.0 0.35 0.16) = 2.769% kept HA ASN 89 - HG3 GLU- 107 2.041% * 0.3409% (0.11 1.0 0.25 0.02) = 0.341% HA ASN 89 - HG3 GLU- 75 2.041% * 0.2292% (0.04 1.0 0.45 0.02) = 0.229% HA ASN 89 - HG3 GLU- 109 2.041% * 0.1423% (0.09 1.0 0.13 0.02) = 0.142% HA LYS+ 113 - HG3 GLU- 18 2.041% * 0.1323% (0.55 1.0 0.02 0.17) = 0.132% HA PRO 116 - HG3 GLU- 18 2.041% * 0.0841% (0.35 1.0 0.02 0.02) = 0.084% HA ASN 15 - HG3 GLU- 18 2.041% * 0.0768% (0.32 1.0 0.02 0.02) = 0.077% HA LYS+ 113 - HG3 GLU- 107 2.041% * 0.0739% (0.31 1.0 0.02 0.02) = 0.074% HA GLU- 107 - HG3 GLU- 109 2.041% * 0.0698% (0.29 1.0 0.02 0.02) = 0.070% HA GLU- 107 - HG3 GLU- 54 2.041% * 0.0688% (0.29 1.0 0.02 0.02) = 0.069% HA LYS+ 113 - HG3 GLU- 109 2.041% * 0.0591% (0.24 1.0 0.02 0.02) = 0.059% HA LYS+ 113 - HG3 GLU- 54 2.041% * 0.0582% (0.24 1.0 0.02 0.02) = 0.058% HA ASP- 115 - HG3 GLU- 18 2.041% * 0.0569% (0.24 1.0 0.02 0.02) = 0.057% HA PRO 116 - HG3 GLU- 107 2.041% * 0.0470% (0.19 1.0 0.02 0.02) = 0.047% HA MET 97 - HG3 GLU- 107 2.041% * 0.0429% (0.18 1.0 0.02 0.02) = 0.043% HA ASN 15 - HG3 GLU- 107 2.041% * 0.0429% (0.18 1.0 0.02 0.02) = 0.043% HA PRO 116 - HG3 GLU- 109 2.041% * 0.0376% (0.16 1.0 0.02 0.02) = 0.038% HA PRO 116 - HG3 GLU- 54 2.041% * 0.0370% (0.15 1.0 0.02 0.02) = 0.037% HA ASN 15 - HG3 GLU- 109 2.041% * 0.0343% (0.14 1.0 0.02 0.02) = 0.034% HA MET 97 - HG3 GLU- 109 2.041% * 0.0343% (0.14 1.0 0.02 0.02) = 0.034% HA ASN 15 - HG3 GLU- 54 2.041% * 0.0338% (0.14 1.0 0.02 0.02) = 0.034% HA MET 97 - HG3 GLU- 54 2.041% * 0.0338% (0.14 1.0 0.02 0.02) = 0.034% HA GLU- 107 - HG3 GLU- 75 2.041% * 0.0326% (0.14 1.0 0.02 0.02) = 0.033% HA ASP- 115 - HG3 GLU- 107 2.041% * 0.0318% (0.13 1.0 0.02 0.02) = 0.032% HA GLU- 107 - HG2 GLU- 56 2.041% * 0.0305% (0.13 1.0 0.02 0.02) = 0.030% HA LYS+ 113 - HG3 GLU- 75 2.041% * 0.0276% (0.11 1.0 0.02 0.02) = 0.028% HA ASN 89 - HG3 GLU- 10 2.041% * 0.0271% (0.02 1.0 0.14 0.02) = 0.027% HA LYS+ 113 - HG2 GLU- 56 2.041% * 0.0258% (0.11 1.0 0.02 0.02) = 0.026% HA ASP- 115 - HG3 GLU- 109 2.041% * 0.0254% (0.11 1.0 0.02 0.02) = 0.025% HA ASP- 115 - HG3 GLU- 54 2.041% * 0.0250% (0.10 1.0 0.02 0.02) = 0.025% HA ASN 89 - HG3 GLU- 54 2.041% * 0.0215% (0.09 1.0 0.02 0.02) = 0.021% HA PRO 116 - HG3 GLU- 75 2.041% * 0.0175% (0.07 1.0 0.02 0.02) = 0.018% HA PRO 116 - HG2 GLU- 56 2.041% * 0.0164% (0.07 1.0 0.02 0.02) = 0.016% HA ASN 15 - HG3 GLU- 75 2.041% * 0.0160% (0.07 1.0 0.02 0.02) = 0.016% HA MET 97 - HG3 GLU- 75 2.041% * 0.0160% (0.07 1.0 0.02 0.02) = 0.016% HA MET 97 - HG2 GLU- 56 2.041% * 0.0150% (0.06 1.0 0.02 0.02) = 0.015% HA ASN 15 - HG2 GLU- 56 2.041% * 0.0150% (0.06 1.0 0.02 0.02) = 0.015% HA GLU- 107 - HG3 GLU- 10 2.041% * 0.0125% (0.05 1.0 0.02 0.02) = 0.013% HA ASP- 115 - HG3 GLU- 75 2.041% * 0.0119% (0.05 1.0 0.02 0.02) = 0.012% HA ASP- 115 - HG2 GLU- 56 2.041% * 0.0111% (0.05 1.0 0.02 0.02) = 0.011% HA LYS+ 113 - HG3 GLU- 10 2.041% * 0.0106% (0.04 1.0 0.02 0.02) = 0.011% HA ASN 89 - HG2 GLU- 56 2.041% * 0.0095% (0.04 1.0 0.02 0.02) = 0.010% HA PRO 116 - HG3 GLU- 10 2.041% * 0.0067% (0.03 1.0 0.02 0.02) = 0.007% HA MET 97 - HG3 GLU- 10 2.041% * 0.0062% (0.03 1.0 0.02 0.02) = 0.006% HA ASN 15 - HG3 GLU- 10 2.041% * 0.0062% (0.03 1.0 0.02 0.02) = 0.006% HA ASP- 115 - HG3 GLU- 10 2.041% * 0.0046% (0.02 1.0 0.02 0.02) = 0.005% Peak 1818 (4.81, 1.89, 37.06 ppm): 7 chemical-shift based assignments, quality = 0.237, support = 1.2, residual support = 1.42: HA ASN 89 - HG2 GLU- 18 14.286% * 56.2433% (0.15 1.91 2.30) = 56.243% kept HA MET 97 - HG2 GLU- 18 14.286% * 26.3619% (0.37 0.37 0.38) = 26.362% kept HA LYS+ 113 - HG2 GLU- 18 14.286% * 13.4899% (0.29 0.24 0.17) = 13.490% kept HA GLU- 107 - HG2 GLU- 18 14.286% * 2.3265% (0.60 0.02 0.16) = 2.326% kept HA PRO 116 - HG2 GLU- 18 14.286% * 0.6284% (0.16 0.02 0.02) = 0.628% HA ASN 15 - HG2 GLU- 18 14.286% * 0.5611% (0.15 0.02 0.02) = 0.561% HA ASP- 115 - HG2 GLU- 18 14.286% * 0.3889% (0.10 0.02 0.02) = 0.389% Peak 1819 (3.87, 2.13, 36.90 ppm): 11 chemical-shift based assignments, quality = 0.323, support = 0.687, residual support = 0.65: HA ILE 48 - HG3 GLU- 56 9.091% * 33.1693% (0.20 1.40 1.85) = 33.169% kept HB3 SER 88 - HG3 GLU- 56 9.091% * 24.3621% (0.42 0.47 0.11) = 24.362% kept HA LYS+ 44 - HG3 GLU- 56 9.091% * 13.3842% (0.30 0.37 0.02) = 13.384% kept HA VAL 87 - HG3 GLU- 56 9.091% * 13.0014% (0.45 0.24 0.02) = 13.001% kept HA ASN 89 - HG3 GLU- 56 9.091% * 12.0952% (0.42 0.24 0.02) = 12.095% kept HB2 SER 85 - HG3 GLU- 56 9.091% * 1.0562% (0.44 0.02 0.02) = 1.056% kept HA VAL 125 - HG3 GLU- 56 9.091% * 0.8107% (0.33 0.02 0.02) = 0.811% HD2 PRO 116 - HG3 GLU- 56 9.091% * 0.7223% (0.30 0.02 0.02) = 0.722% HD2 PRO 86 - HG3 GLU- 56 9.091% * 0.6321% (0.26 0.02 0.02) = 0.632% HD3 PRO 86 - HG3 GLU- 56 9.091% * 0.5874% (0.24 0.02 0.02) = 0.587% HB3 SER 77 - HG3 GLU- 56 9.091% * 0.1791% (0.07 0.02 0.02) = 0.179% Peak 1820 (2.46, 2.13, 36.97 ppm): 4 chemical-shift based assignments, quality = 0.196, support = 1.24, residual support = 1.74: T HG3 GLU- 45 - HG3 GLU- 56 25.000% * 44.8169% (0.18 10.00 0.43 0.62) = 44.817% kept HA1 GLY 58 - HG3 GLU- 56 25.000% * 38.6110% (0.26 1.00 2.55 3.52) = 38.611% kept T HG2 GLU- 45 - HG3 GLU- 56 25.000% * 16.4058% (0.07 10.00 0.40 0.62) = 16.406% kept HB VAL 40 - HG3 GLU- 56 25.000% * 0.1663% (0.15 1.00 0.02 0.02) = 0.166% Not enough quality. Peak unassigned. Peak 1821 (2.22, 1.89, 37.10 ppm): 14 chemical-shift based assignments, quality = 0.486, support = 0.971, residual support = 11.6: O HG3 GLU- 18 - HG2 GLU- 18 7.143% * 90.1138% (0.50 10.0 1.03 12.91) = 90.114% kept HG3 GLU- 107 - HG2 GLU- 18 7.143% * 3.1622% (0.51 1.0 0.35 0.16) = 3.162% kept HA1 GLY 58 - HG2 GLU- 18 7.143% * 2.9415% (0.19 1.0 0.90 0.02) = 2.942% kept HB2 GLU- 50 - HG2 GLU- 18 7.143% * 1.3905% (0.52 1.0 0.15 0.10) = 1.391% kept HB2 LYS+ 113 - HG2 GLU- 18 7.143% * 1.3398% (0.32 1.0 0.24 0.17) = 1.340% kept HG3 GLU- 109 - HG2 GLU- 18 7.143% * 0.1850% (0.53 1.0 0.02 0.02) = 0.185% HG3 MET 126 - HG2 GLU- 18 7.143% * 0.1834% (0.53 1.0 0.02 0.02) = 0.183% HG3 MET 118 - HG2 GLU- 18 7.143% * 0.1545% (0.44 1.0 0.02 0.02) = 0.155% HG3 GLU- 54 - HG2 GLU- 18 7.143% * 0.1414% (0.41 1.0 0.02 0.02) = 0.141% HB3 PRO 52 - HG2 GLU- 18 7.143% * 0.1344% (0.39 1.0 0.02 0.02) = 0.134% HG3 GLU- 75 - HG2 GLU- 18 7.143% * 0.0901% (0.26 1.0 0.02 0.02) = 0.090% HG2 MET 126 - HG2 GLU- 18 7.143% * 0.0761% (0.22 1.0 0.02 0.02) = 0.076% HG3 GLU- 10 - HG2 GLU- 18 7.143% * 0.0461% (0.13 1.0 0.02 0.02) = 0.046% HG2 GLU- 56 - HG2 GLU- 18 7.143% * 0.0412% (0.12 1.0 0.02 0.02) = 0.041% 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): 8 chemical-shift based assignments, quality = 0.313, support = 0.448, residual support = 0.228: HG12 ILE 29 - HG3 GLU- 56 12.500% * 34.8622% (0.29 0.70 0.31) = 34.862% kept QG2 VAL 62 - HG3 GLU- 56 12.500% * 24.2086% (0.31 0.46 0.25) = 24.209% kept QG2 ILE 29 - HG3 GLU- 56 12.500% * 16.7155% (0.34 0.29 0.31) = 16.716% kept HG LEU 74 - HG3 GLU- 56 12.500% * 13.4732% (0.32 0.24 0.02) = 13.473% kept HG3 LYS+ 63 - HG3 GLU- 56 12.500% * 8.5734% (0.39 0.13 0.02) = 8.573% kept HG12 ILE 68 - HG3 GLU- 56 12.500% * 1.1712% (0.34 0.02 0.02) = 1.171% kept QG1 VAL 105 - HG3 GLU- 56 12.500% * 0.5228% (0.15 0.02 0.02) = 0.523% QD1 LEU 17 - HG3 GLU- 56 12.500% * 0.4730% (0.14 0.02 0.02) = 0.473% Peak 1825 (9.09, 2.27, 36.54 ppm): 4 chemical-shift based assignments, quality = 0.0795, support = 0.228, residual support = 0.02: HN GLU- 54 - HG2 GLU- 56 25.000% * 64.3300% (0.07 0.32 0.02) = 64.330% kept HN LYS+ 66 - HG3 GLU- 10 25.000% * 25.3137% (0.11 0.08 0.02) = 25.314% kept HN LYS+ 66 - HG2 GLU- 56 25.000% * 5.1871% (0.09 0.02 0.02) = 5.187% kept HN GLU- 54 - HG3 GLU- 10 25.000% * 5.1693% (0.09 0.02 0.02) = 5.169% kept Not enough quality. Peak unassigned. Peak 1826 (8.96, 1.37, 36.77 ppm): 10 chemical-shift based assignments, quality = 0.45, support = 2.1, residual support = 2.83: HN MET 97 - HB3 LYS+ 20 10.000% * 22.2700% (0.67 2.09 3.00) = 22.270% kept HN PHE 21 - HB3 LYS+ 20 10.000% * 15.8948% (0.30 3.29 5.20) = 15.895% kept HN MET 97 - HB2 LYS+ 20 10.000% * 15.8277% (0.54 1.85 3.00) = 15.828% kept HN PHE 21 - HB2 LYS+ 20 10.000% * 12.6188% (0.24 3.26 5.20) = 12.619% kept HN ARG+ 22 - HB3 LYS+ 20 10.000% * 10.7904% (0.44 1.55 0.96) = 10.790% kept HN ARG+ 22 - HB2 LYS+ 20 10.000% * 9.8765% (0.35 1.77 0.96) = 9.876% kept HN THR 96 - HB3 LYS+ 20 10.000% * 4.6490% (0.38 0.76 0.02) = 4.649% kept HN THR 96 - HB2 LYS+ 20 10.000% * 3.4424% (0.31 0.70 0.02) = 3.442% kept HN LEU 17 - HB3 LYS+ 20 10.000% * 2.6194% (0.61 0.27 0.02) = 2.619% kept HN LEU 17 - HB2 LYS+ 20 10.000% * 2.0110% (0.49 0.26 0.02) = 2.011% kept Peak 1827 (8.36, 2.23, 36.64 ppm): 35 chemical-shift based assignments, quality = 0.674, support = 2.15, residual support = 6.01: HN LYS+ 108 - HG3 GLU- 107 2.857% * 33.3504% (0.78 2.80 2.43) = 33.350% kept HN GLU- 109 - HG3 GLU- 109 2.857% * 29.7702% (0.74 2.63 15.22) = 29.770% kept HN LYS+ 108 - HG3 GLU- 109 2.857% * 18.0559% (0.75 1.57 3.41) = 18.056% kept HN ALA 103 - HG3 GLU- 18 2.857% * 7.9679% (0.34 1.52 0.49) = 7.968% kept HN ALA 103 - HG2 GLU- 56 2.857% * 4.4557% (0.58 0.51 0.21) = 4.456% kept HN GLY 71 - HG3 GLU- 18 2.857% * 1.5466% (0.32 0.31 0.02) = 1.547% kept HN LYS+ 108 - HG3 GLU- 75 2.857% * 0.2853% (0.93 0.02 0.02) = 0.285% HN GLU- 109 - HG3 GLU- 75 2.857% * 0.2797% (0.91 0.02 0.02) = 0.280% HN LYS+ 108 - HG3 GLU- 10 2.857% * 0.2407% (0.79 0.02 0.02) = 0.241% HN GLU- 109 - HG3 GLU- 10 2.857% * 0.2360% (0.77 0.02 0.02) = 0.236% HN GLU- 109 - HG3 GLU- 107 2.857% * 0.2339% (0.76 0.02 0.02) = 0.234% HN ALA 103 - HG3 GLU- 75 2.857% * 0.2260% (0.74 0.02 0.02) = 0.226% HN LYS+ 108 - HG2 GLU- 56 2.857% * 0.2226% (0.73 0.02 0.02) = 0.223% HN GLU- 109 - HG2 GLU- 56 2.857% * 0.2182% (0.71 0.02 0.02) = 0.218% HN GLY 71 - HG3 GLU- 75 2.857% * 0.2147% (0.70 0.02 0.02) = 0.215% HN ALA 103 - HG3 GLU- 10 2.857% * 0.1906% (0.62 0.02 0.02) = 0.191% HN ALA 103 - HG3 GLU- 107 2.857% * 0.1890% (0.62 0.02 0.02) = 0.189% HN ALA 103 - HG3 GLU- 109 2.857% * 0.1827% (0.60 0.02 0.02) = 0.183% HN GLY 71 - HG3 GLU- 10 2.857% * 0.1811% (0.59 0.02 0.02) = 0.181% HN GLY 71 - HG3 GLU- 107 2.857% * 0.1796% (0.59 0.02 0.02) = 0.180% HN GLY 71 - HG3 GLU- 109 2.857% * 0.1736% (0.57 0.02 0.02) = 0.174% HN GLY 71 - HG2 GLU- 56 2.857% * 0.1675% (0.55 0.02 0.02) = 0.168% HN LYS+ 108 - HG3 GLU- 54 2.857% * 0.1363% (0.44 0.02 0.02) = 0.136% HN GLU- 109 - HG3 GLU- 54 2.857% * 0.1336% (0.44 0.02 0.02) = 0.134% HN GLU- 50 - HG3 GLU- 75 2.857% * 0.1326% (0.43 0.02 0.02) = 0.133% HN LYS+ 108 - HG3 GLU- 18 2.857% * 0.1320% (0.43 0.02 0.02) = 0.132% HN GLU- 109 - HG3 GLU- 18 2.857% * 0.1294% (0.42 0.02 0.02) = 0.129% HN GLU- 50 - HG3 GLU- 10 2.857% * 0.1118% (0.37 0.02 0.02) = 0.112% HN GLU- 50 - HG3 GLU- 107 2.857% * 0.1109% (0.36 0.02 0.02) = 0.111% HN ALA 103 - HG3 GLU- 54 2.857% * 0.1079% (0.35 0.02 0.02) = 0.108% HN GLU- 50 - HG3 GLU- 109 2.857% * 0.1072% (0.35 0.02 0.02) = 0.107% HN GLU- 50 - HG2 GLU- 56 2.857% * 0.1034% (0.34 0.02 0.02) = 0.103% HN GLY 71 - HG3 GLU- 54 2.857% * 0.1025% (0.33 0.02 0.02) = 0.103% HN GLU- 50 - HG3 GLU- 54 2.857% * 0.0633% (0.21 0.02 0.02) = 0.063% HN GLU- 50 - HG3 GLU- 18 2.857% * 0.0613% (0.20 0.02 0.10) = 0.061% Peak 1828 (8.34, 2.34, 36.71 ppm): 8 chemical-shift based assignments, quality = 0.57, support = 3.83, residual support = 24.7: HN GLU- 50 - HG3 GLU- 50 12.500% * 89.0229% (0.59 4.26 27.79) = 89.023% kept HN GLU- 109 - HG3 GLU- 50 12.500% * 6.1511% (0.52 0.33 0.02) = 6.151% kept HN LYS+ 108 - HG3 GLU- 50 12.500% * 4.1352% (0.30 0.38 0.02) = 4.135% kept HN GLY 114 - HG3 GLU- 50 12.500% * 0.2325% (0.33 0.02 0.02) = 0.232% HN ASN 76 - HG3 GLU- 50 12.500% * 0.1816% (0.26 0.02 0.02) = 0.182% HN ALA 103 - HG3 GLU- 50 12.500% * 0.1102% (0.16 0.02 0.02) = 0.110% HN GLY 71 - HG3 GLU- 50 12.500% * 0.0984% (0.14 0.02 0.02) = 0.098% HN VAL 99 - HG3 GLU- 50 12.500% * 0.0682% (0.10 0.02 0.02) = 0.068% Peak 1829 (4.74, 1.37, 36.77 ppm): 14 chemical-shift based assignments, quality = 0.345, support = 1.81, residual support = 3.37: HA PRO 31 - HB3 LYS+ 20 7.143% * 27.1803% (0.48 2.06 6.22) = 27.180% kept HA PRO 31 - HB2 LYS+ 20 7.143% * 23.6121% (0.41 2.10 6.22) = 23.612% kept HA2 GLY 30 - HB3 LYS+ 20 7.143% * 14.4833% (0.26 2.01 0.38) = 14.483% kept HA2 GLY 30 - HB2 LYS+ 20 7.143% * 11.3639% (0.22 1.85 0.38) = 11.364% kept HA ASN 89 - HB3 LYS+ 20 7.143% * 8.8016% (0.21 1.50 0.70) = 8.802% kept HA ASN 89 - HB2 LYS+ 20 7.143% * 7.5238% (0.18 1.51 0.70) = 7.524% kept HA VAL 40 - HB2 LYS+ 20 7.143% * 2.6696% (0.32 0.31 0.02) = 2.670% kept HA MET 118 - HB2 LYS+ 20 7.143% * 1.5755% (0.36 0.16 0.02) = 1.576% kept HA MET 118 - HB3 LYS+ 20 7.143% * 1.4485% (0.43 0.12 0.02) = 1.449% kept HA HIS+ 7 - HB3 LYS+ 20 7.143% * 0.3815% (0.70 0.02 0.02) = 0.381% HA HIS+ 7 - HB2 LYS+ 20 7.143% * 0.3251% (0.59 0.02 0.02) = 0.325% HA HIS+ 5 - HB3 LYS+ 20 7.143% * 0.2334% (0.43 0.02 0.02) = 0.233% HA VAL 40 - HB3 LYS+ 20 7.143% * 0.2025% (0.37 0.02 0.02) = 0.202% HA HIS+ 5 - HB2 LYS+ 20 7.143% * 0.1989% (0.36 0.02 0.02) = 0.199% 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): 11 chemical-shift based assignments, quality = 0.528, support = 2.74, residual support = 26.1: O HA GLU- 50 - HG3 GLU- 50 9.091% * 93.0989% (0.54 10.0 2.81 27.79) = 93.099% kept HA ASN 89 - HG3 GLU- 50 9.091% * 6.2783% (0.36 1.0 2.03 3.94) = 6.278% kept HA ILE 101 - HG3 GLU- 50 9.091% * 0.0921% (0.54 1.0 0.02 0.02) = 0.092% HA ILE 100 - HG3 GLU- 50 9.091% * 0.0906% (0.53 1.0 0.02 0.02) = 0.091% HA VAL 99 - HG3 GLU- 50 9.091% * 0.0867% (0.51 1.0 0.02 0.02) = 0.087% HA PRO 86 - HG3 GLU- 50 9.091% * 0.0867% (0.51 1.0 0.02 0.02) = 0.087% HA LYS+ 32 - HG3 GLU- 50 9.091% * 0.0815% (0.47 1.0 0.02 0.02) = 0.081% HA ALA 103 - HG3 GLU- 50 9.091% * 0.0785% (0.46 1.0 0.02 0.02) = 0.078% HA VAL 73 - HG3 GLU- 50 9.091% * 0.0623% (0.36 1.0 0.02 0.02) = 0.062% HB THR 24 - HG3 GLU- 50 9.091% * 0.0234% (0.14 1.0 0.02 0.18) = 0.023% HA LYS+ 111 - HG3 GLU- 50 9.091% * 0.0209% (0.12 1.0 0.02 0.02) = 0.021% Peak 1833 (4.27, 2.34, 36.56 ppm): 16 chemical-shift based assignments, quality = 0.213, support = 1.7, residual support = 3.26: HA ASN 89 - HG3 GLU- 50 6.250% * 82.8244% (0.23 2.03 3.94) = 82.824% kept HA PRO 52 - HG3 GLU- 50 6.250% * 8.3541% (0.25 0.19 0.02) = 8.354% kept HA ARG+ 84 - HG3 GLU- 50 6.250% * 0.9087% (0.26 0.02 0.02) = 0.909% HA VAL 65 - HG3 GLU- 50 6.250% * 0.8986% (0.26 0.02 0.02) = 0.899% HD3 PRO 59 - HG3 GLU- 50 6.250% * 0.8672% (0.25 0.02 0.02) = 0.867% HA SER 85 - HG3 GLU- 50 6.250% * 0.8672% (0.25 0.02 0.02) = 0.867% HA ALA 91 - HG3 GLU- 50 6.250% * 0.8463% (0.24 0.02 0.02) = 0.846% HA GLU- 75 - HG3 GLU- 50 6.250% * 0.8463% (0.24 0.02 0.02) = 0.846% HA GLU- 56 - HG3 GLU- 50 6.250% * 0.6657% (0.19 0.02 0.02) = 0.666% HA VAL 73 - HG3 GLU- 50 6.250% * 0.5644% (0.16 0.02 0.02) = 0.564% HA2 GLY 114 - HG3 GLU- 50 6.250% * 0.5561% (0.16 0.02 0.02) = 0.556% HA HIS+ 4 - HG3 GLU- 50 6.250% * 0.4463% (0.13 0.02 0.11) = 0.446% HA THR 106 - HG3 GLU- 50 6.250% * 0.4463% (0.13 0.02 0.02) = 0.446% HA LYS+ 108 - HG3 GLU- 50 6.250% * 0.3127% (0.09 0.02 0.02) = 0.313% HA LEU 90 - HG3 GLU- 50 6.250% * 0.3127% (0.09 0.02 0.02) = 0.313% HA PRO 59 - HG3 GLU- 50 6.250% * 0.2830% (0.08 0.02 0.02) = 0.283% 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 = 0.176, support = 1.26, residual support = 1.72: T HA1 GLY 58 - HG3 GLU- 45 6.250% * 45.8910% (0.14 10.00 1.67 2.31) = 45.891% kept T HA1 GLY 58 - HG2 GLU- 45 6.250% * 24.2153% (0.08 10.00 1.53 2.31) = 24.215% kept T HG3 GLU- 56 - HG2 GLU- 45 6.250% * 13.8148% (0.18 10.00 0.40 0.62) = 13.815% kept HB3 GLU- 75 - HG3 GLU- 45 6.250% * 6.4442% (0.54 1.00 0.62 0.02) = 6.444% kept HB3 GLU- 75 - HG2 GLU- 45 6.250% * 3.4279% (0.31 1.00 0.57 0.02) = 3.428% kept HB2 ASP- 28 - HG3 GLU- 45 6.250% * 2.5991% (0.58 1.00 0.23 0.02) = 2.599% kept T HG3 GLU- 56 - HG3 GLU- 45 6.250% * 1.2050% (0.32 10.00 0.02 0.62) = 1.205% kept HB3 LEU 43 - HG2 GLU- 45 6.250% * 0.9652% (0.17 1.00 0.30 0.02) = 0.965% HB2 ASP- 28 - HG2 GLU- 45 6.250% * 0.5180% (0.34 1.00 0.08 0.02) = 0.518% HB VAL 47 - HG3 GLU- 45 6.250% * 0.2220% (0.58 1.00 0.02 0.02) = 0.222% HG3 GLN 102 - HG3 GLU- 45 6.250% * 0.1798% (0.47 1.00 0.02 0.02) = 0.180% HB VAL 47 - HG2 GLU- 45 6.250% * 0.1281% (0.34 1.00 0.02 0.02) = 0.128% HB3 LYS+ 78 - HG3 GLU- 45 6.250% * 0.1110% (0.29 1.00 0.02 0.02) = 0.111% HB3 LEU 43 - HG3 GLU- 45 6.250% * 0.1110% (0.29 1.00 0.02 0.02) = 0.111% HG3 GLN 102 - HG2 GLU- 45 6.250% * 0.1037% (0.27 1.00 0.02 0.02) = 0.104% HB3 LYS+ 78 - HG2 GLU- 45 6.250% * 0.0640% (0.17 1.00 0.02 0.02) = 0.064% Not enough quality. Peak unassigned. Peak 1843 (1.37, 1.37, 36.76 ppm): 2 diagonal assignments: HB3 LYS+ 20 - HB3 LYS+ 20 (0.64) kept HB2 LYS+ 20 - HB2 LYS+ 20 (0.41) kept Peak 1846 (1.05, 1.37, 36.76 ppm): 4 chemical-shift based assignments, quality = 0.567, support = 2.89, residual support = 15.7: HG LEU 74 - HB3 LYS+ 20 25.000% * 51.3302% (0.62 2.89 16.13) = 51.330% kept HG LEU 74 - HB2 LYS+ 20 25.000% * 45.8865% (0.53 3.03 16.13) = 45.886% kept HG13 ILE 100 - HB3 LYS+ 20 25.000% * 1.5027% (0.13 0.40 0.11) = 1.503% kept HG13 ILE 100 - HB2 LYS+ 20 25.000% * 1.2806% (0.11 0.40 0.11) = 1.281% kept Peak 1847 (0.96, 2.46, 36.82 ppm): 16 chemical-shift based assignments, quality = 0.31, support = 1.23, residual support = 1.68: HG LEU 74 - HG3 GLU- 45 6.250% * 22.2564% (0.46 1.61 2.59) = 22.256% kept HG LEU 74 - HG2 GLU- 45 6.250% * 13.2399% (0.26 1.70 2.59) = 13.240% kept HG3 LYS+ 63 - HG3 GLU- 45 6.250% * 11.8773% (0.41 0.98 2.09) = 11.877% kept HG12 ILE 29 - HG3 GLU- 45 6.250% * 11.6254% (0.26 1.51 1.09) = 11.625% kept QG2 ILE 29 - HG2 GLU- 45 6.250% * 8.2289% (0.19 1.48 1.09) = 8.229% kept QG2 VAL 62 - HG3 GLU- 45 6.250% * 6.1941% (0.28 0.74 0.84) = 6.194% kept HG3 LYS+ 63 - HG2 GLU- 45 6.250% * 5.6573% (0.23 0.83 2.09) = 5.657% kept QG2 ILE 29 - HG3 GLU- 45 6.250% * 5.2111% (0.33 0.53 1.09) = 5.211% kept QG2 VAL 62 - HG2 GLU- 45 6.250% * 4.3195% (0.16 0.91 0.84) = 4.319% kept HG12 ILE 68 - HG3 GLU- 45 6.250% * 4.1865% (0.33 0.42 0.02) = 4.187% kept HG12 ILE 68 - HG2 GLU- 45 6.250% * 3.6937% (0.19 0.67 0.02) = 3.694% kept HG12 ILE 29 - HG2 GLU- 45 6.250% * 3.3170% (0.14 0.77 1.09) = 3.317% kept QG1 VAL 105 - HG3 GLU- 45 6.250% * 0.0656% (0.11 0.02 0.02) = 0.066% QD1 LEU 17 - HG3 GLU- 45 6.250% * 0.0578% (0.10 0.02 0.02) = 0.058% QG1 VAL 105 - HG2 GLU- 45 6.250% * 0.0369% (0.06 0.02 0.02) = 0.037% QD1 LEU 17 - HG2 GLU- 45 6.250% * 0.0325% (0.05 0.02 0.02) = 0.033% Peak 1849 (0.69, 1.37, 36.75 ppm): 18 chemical-shift based assignments, quality = 0.567, support = 2.58, residual support = 11.9: HG12 ILE 19 - HB3 LYS+ 20 5.556% * 18.1536% (0.62 2.78 15.62) = 18.154% kept QD1 ILE 19 - HB3 LYS+ 20 5.556% * 17.9253% (0.62 2.73 15.62) = 17.925% kept QG2 VAL 94 - HB3 LYS+ 20 5.556% * 16.4320% (0.62 2.50 5.49) = 16.432% kept QG2 VAL 94 - HB2 LYS+ 20 5.556% * 15.4748% (0.53 2.76 5.49) = 15.475% kept HG12 ILE 19 - HB2 LYS+ 20 5.556% * 14.4724% (0.53 2.60 15.62) = 14.472% kept QD1 ILE 19 - HB2 LYS+ 20 5.556% * 14.2527% (0.53 2.55 15.62) = 14.253% kept HG LEU 67 - HB3 LYS+ 20 5.556% * 1.5667% (0.43 0.35 0.02) = 1.567% kept HG LEU 67 - HB2 LYS+ 20 5.556% * 0.7113% (0.37 0.18 0.02) = 0.711% HG2 PRO 59 - HB3 LYS+ 20 5.556% * 0.4887% (0.40 0.11 0.02) = 0.489% HB2 LEU 9 - HB3 LYS+ 20 5.556% * 0.0852% (0.40 0.02 0.02) = 0.085% QG1 VAL 62 - HB3 LYS+ 20 5.556% * 0.0799% (0.38 0.02 0.02) = 0.080% HB2 LEU 9 - HB2 LYS+ 20 5.556% * 0.0726% (0.34 0.02 0.02) = 0.073% HG2 PRO 59 - HB2 LYS+ 20 5.556% * 0.0726% (0.34 0.02 0.02) = 0.073% QG1 VAL 62 - HB2 LYS+ 20 5.556% * 0.0681% (0.32 0.02 0.02) = 0.068% QG2 ILE 101 - HB3 LYS+ 20 5.556% * 0.0449% (0.21 0.02 0.02) = 0.045% QG2 ILE 101 - HB2 LYS+ 20 5.556% * 0.0383% (0.18 0.02 0.02) = 0.038% QG2 ILE 48 - HB3 LYS+ 20 5.556% * 0.0328% (0.16 0.02 0.02) = 0.033% QG2 ILE 48 - HB2 LYS+ 20 5.556% * 0.0280% (0.13 0.02 0.02) = 0.028% Peak 1850 (8.83, 1.59, 36.42 ppm): 3 chemical-shift based assignments, quality = 0.3, support = 2.65, residual support = 37.5: O HN LYS+ 32 - HB3 LYS+ 32 33.333% * 99.7898% (0.30 10.0 2.65 37.58) = 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 0.22 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): 27 chemical-shift based assignments, quality = 0.159, support = 2.05, residual support = 9.69: HN LEU 74 - HG3 GLU- 75 3.704% * 45.8858% (0.20 2.26 4.49) = 45.886% kept HN GLU- 75 - HG3 GLU- 75 3.704% * 40.5996% (0.16 2.47 18.79) = 40.600% kept HN LYS+ 113 - HG3 GLU- 75 3.704% * 3.3137% (0.11 0.28 0.02) = 3.314% kept HN GLY 92 - HG3 GLU- 75 3.704% * 1.1496% (0.04 0.26 0.02) = 1.150% kept HN LEU 74 - HG3 GLU- 10 3.704% * 0.8263% (0.40 0.02 0.02) = 0.826% HN ARG+ 53 - HG3 GLU- 10 3.704% * 0.7041% (0.34 0.02 0.02) = 0.704% HN CYS 123 - HG3 GLU- 10 3.704% * 0.6690% (0.32 0.02 0.02) = 0.669% HN GLU- 75 - HG3 GLU- 10 3.704% * 0.6690% (0.32 0.02 0.02) = 0.669% HN GLU- 107 - HG3 GLU- 75 3.704% * 0.6383% (0.08 0.08 0.02) = 0.638% HN LYS+ 113 - HG3 GLU- 10 3.704% * 0.4847% (0.23 0.02 0.02) = 0.485% HN HIS+ 14 - HG3 GLU- 10 3.704% * 0.4485% (0.22 0.02 0.02) = 0.448% HN LEU 74 - HG2 GLU- 56 3.704% * 0.4480% (0.22 0.02 0.02) = 0.448% HN HIS+ 6 - HG3 GLU- 10 3.704% * 0.4131% (0.20 0.02 0.02) = 0.413% HN ARG+ 53 - HG2 GLU- 56 3.704% * 0.3817% (0.18 0.02 0.02) = 0.382% HN CYS 123 - HG2 GLU- 56 3.704% * 0.3627% (0.17 0.02 0.02) = 0.363% HN GLU- 75 - HG2 GLU- 56 3.704% * 0.3627% (0.17 0.02 0.02) = 0.363% HN ARG+ 53 - HG3 GLU- 75 3.704% * 0.3463% (0.17 0.02 0.02) = 0.346% HN GLU- 107 - HG3 GLU- 10 3.704% * 0.3458% (0.17 0.02 0.02) = 0.346% HN CYS 123 - HG3 GLU- 75 3.704% * 0.3290% (0.16 0.02 0.02) = 0.329% HN LYS+ 113 - HG2 GLU- 56 3.704% * 0.2628% (0.13 0.02 0.02) = 0.263% HN HIS+ 14 - HG2 GLU- 56 3.704% * 0.2431% (0.12 0.02 0.02) = 0.243% HN HIS+ 6 - HG2 GLU- 56 3.704% * 0.2239% (0.11 0.02 0.02) = 0.224% HN HIS+ 14 - HG3 GLU- 75 3.704% * 0.2205% (0.11 0.02 0.02) = 0.221% HN HIS+ 6 - HG3 GLU- 75 3.704% * 0.2031% (0.10 0.02 0.02) = 0.203% HN GLU- 107 - HG2 GLU- 56 3.704% * 0.1875% (0.09 0.02 0.02) = 0.187% HN GLY 92 - HG3 GLU- 10 3.704% * 0.1823% (0.09 0.02 0.02) = 0.182% HN GLY 92 - HG2 GLU- 56 3.704% * 0.0988% (0.05 0.02 0.02) = 0.099% Peak 1854 (8.20, 1.59, 36.43 ppm): 9 chemical-shift based assignments, quality = 0.349, support = 4.12, residual support = 13.8: HN ALA 33 - HB3 LYS+ 32 11.111% * 94.5232% (0.37 4.33 14.54) = 94.523% kept HN SER 49 - HB3 LYS+ 32 11.111% * 3.0451% (0.06 0.89 0.75) = 3.045% kept HN LYS+ 117 - HB3 LYS+ 32 11.111% * 0.4989% (0.42 0.02 0.02) = 0.499% HN GLU- 45 - HB3 LYS+ 32 11.111% * 0.4205% (0.35 0.02 0.02) = 0.420% HN ALA 11 - HB3 LYS+ 32 11.111% * 0.3847% (0.32 0.02 0.02) = 0.385% HN ASN 119 - HB3 LYS+ 32 11.111% * 0.3655% (0.31 0.02 0.02) = 0.366% HN VAL 105 - HB3 LYS+ 32 11.111% * 0.3053% (0.26 0.02 0.02) = 0.305% HN VAL 94 - HB3 LYS+ 32 11.111% * 0.2850% (0.24 0.02 0.02) = 0.285% HN LYS+ 120 - HB3 LYS+ 32 11.111% * 0.1717% (0.14 0.02 0.02) = 0.172% Peak 1855 (7.35, 1.59, 36.42 ppm): 6 chemical-shift based assignments, quality = 0.225, support = 3.76, residual support = 16.9: QE PHE 34 - HB3 LYS+ 32 16.667% * 43.0796% (0.24 4.53 18.96) = 43.080% kept HZ PHE 34 - HB3 LYS+ 32 16.667% * 37.9350% (0.24 3.99 18.96) = 37.935% kept QD PHE 34 - HB3 LYS+ 32 16.667% * 8.1721% (0.07 2.78 18.96) = 8.172% kept HZ2 TRP 51 - HB3 LYS+ 32 16.667% * 7.8785% (0.24 0.83 0.26) = 7.878% kept HE22 GLN 102 - HB3 LYS+ 32 16.667% * 1.9278% (0.24 0.20 0.02) = 1.928% kept HE ARG+ 53 - HB3 LYS+ 32 16.667% * 1.0070% (0.20 0.12 0.02) = 1.007% kept Peak 1856 (4.49, 1.59, 36.43 ppm): 13 chemical-shift based assignments, quality = 0.195, support = 3.9, residual support = 30.4: O HA LYS+ 32 - HB3 LYS+ 32 7.692% * 80.3446% (0.19 10.0 4.43 37.58) = 80.345% kept HA ASN 89 - HB3 LYS+ 32 7.692% * 13.0255% (0.28 1.0 2.15 0.95) = 13.026% kept HA LYS+ 55 - HB3 LYS+ 32 7.692% * 4.8279% (0.19 1.0 1.20 2.36) = 4.828% kept HA CYS 123 - HB3 LYS+ 32 7.692% * 0.9907% (0.40 1.0 0.11 0.02) = 0.991% HA ASN 76 - HB3 LYS+ 32 7.692% * 0.1937% (0.45 1.0 0.02 0.02) = 0.194% HA SER 77 - HB3 LYS+ 32 7.692% * 0.1565% (0.36 1.0 0.02 0.02) = 0.156% HA VAL 73 - HB3 LYS+ 32 7.692% * 0.0969% (0.22 1.0 0.02 0.02) = 0.097% HA ALA 103 - HB3 LYS+ 32 7.692% * 0.0876% (0.20 1.0 0.02 0.02) = 0.088% HB THR 46 - HB3 LYS+ 32 7.692% * 0.0803% (0.19 1.0 0.02 0.02) = 0.080% HA PRO 86 - HB3 LYS+ 32 7.692% * 0.0667% (0.15 1.0 0.02 0.02) = 0.067% HA ILE 100 - HB3 LYS+ 32 7.692% * 0.0543% (0.13 1.0 0.02 0.02) = 0.054% HA ILE 101 - HB3 LYS+ 32 7.692% * 0.0487% (0.11 1.0 0.02 0.02) = 0.049% HA GLU- 50 - HB3 LYS+ 32 7.692% * 0.0264% (0.06 1.0 0.02 0.02) = 0.026% Peak 1857 (4.24, 2.24, 36.46 ppm): 100 chemical-shift based assignments, quality = 0.165, support = 1.44, residual support = 8.91: O HA GLU- 75 - HG3 GLU- 75 1.000% * 31.1305% (0.12 10.0 1.81 18.79) = 31.131% kept O HA GLU- 56 - HG2 GLU- 56 1.000% * 26.1842% (0.18 10.0 1.00 4.54) = 26.184% kept O HA GLU- 109 - HG3 GLU- 109 1.000% * 9.0275% (0.03 10.0 2.87 15.22) = 9.027% kept HA LYS+ 108 - HG3 GLU- 109 1.000% * 5.4624% (0.14 1.0 2.65 3.41) = 5.462% kept HA LYS+ 108 - HG3 GLU- 107 1.000% * 5.1923% (0.14 1.0 2.50 2.43) = 5.192% kept HA ASN 89 - HG3 GLU- 75 1.000% * 3.1934% (0.48 1.0 0.45 0.02) = 3.193% kept HA HIS+ 8 - HG3 GLU- 10 1.000% * 2.7133% (0.78 1.0 0.24 0.02) = 2.713% kept HA GLU- 54 - HG2 GLU- 56 1.000% * 2.0367% (0.42 1.0 0.33 0.02) = 2.037% kept HA LYS+ 110 - HG3 GLU- 109 1.000% * 1.8902% (0.10 1.0 1.30 7.64) = 1.890% kept HA LYS+ 44 - HG3 GLU- 10 1.000% * 1.6615% (0.12 1.0 0.98 0.02) = 1.662% kept HA ASN 89 - HG3 GLU- 10 1.000% * 1.4571% (0.72 1.0 0.14 0.02) = 1.457% kept HA VAL 73 - HG3 GLU- 75 1.000% * 1.2117% (0.22 1.0 0.37 0.02) = 1.212% kept HA ALA 11 - HG3 GLU- 10 1.000% * 1.1221% (0.24 1.0 0.32 3.01) = 1.122% kept HA ASN 89 - HG3 GLU- 107 1.000% * 0.5979% (0.16 1.0 0.25 0.02) = 0.598% HA VAL 73 - HG3 GLU- 107 1.000% * 0.5241% (0.08 1.0 0.47 0.02) = 0.524% HA VAL 73 - HG3 GLU- 109 1.000% * 0.3396% (0.07 1.0 0.31 0.02) = 0.340% HA ASN 89 - HG3 GLU- 109 1.000% * 0.3097% (0.16 1.0 0.13 0.02) = 0.310% HA GLU- 54 - HG3 GLU- 10 1.000% * 0.2243% (0.76 1.0 0.02 0.02) = 0.224% HA SER 49 - HG3 GLU- 10 1.000% * 0.2164% (0.74 1.0 0.02 0.02) = 0.216% HA GLU- 18 - HG3 GLU- 10 1.000% * 0.2112% (0.72 1.0 0.02 0.02) = 0.211% HA PRO 59 - HG3 GLU- 10 1.000% * 0.1911% (0.65 1.0 0.02 0.02) = 0.191% HA LYS+ 108 - HG3 GLU- 10 1.000% * 0.1832% (0.62 1.0 0.02 0.02) = 0.183% HA HIS+ 8 - HG3 GLU- 75 1.000% * 0.1541% (0.52 1.0 0.02 0.02) = 0.154% HA GLU- 54 - HG3 GLU- 75 1.000% * 0.1511% (0.51 1.0 0.02 0.02) = 0.151% HA HIS+ 4 - HG3 GLU- 10 1.000% * 0.1480% (0.50 1.0 0.02 0.02) = 0.148% HA SER 49 - HG3 GLU- 75 1.000% * 0.1458% (0.50 1.0 0.02 0.02) = 0.146% HA GLU- 18 - HG3 GLU- 75 1.000% * 0.1423% (0.48 1.0 0.02 0.02) = 0.142% HA ALA 42 - HG3 GLU- 10 1.000% * 0.1388% (0.47 1.0 0.02 0.02) = 0.139% HA LYS+ 110 - HG3 GLU- 10 1.000% * 0.1295% (0.44 1.0 0.02 0.02) = 0.130% HA PRO 59 - HG3 GLU- 75 1.000% * 0.1287% (0.44 1.0 0.02 0.02) = 0.129% HA HIS+ 8 - HG2 GLU- 56 1.000% * 0.1274% (0.43 1.0 0.02 0.02) = 0.127% HA LYS+ 108 - HG3 GLU- 75 1.000% * 0.1234% (0.42 1.0 0.02 0.02) = 0.123% HA SER 49 - HG2 GLU- 56 1.000% * 0.1205% (0.41 1.0 0.02 0.60) = 0.120% HB3 SER 49 - HG3 GLU- 10 1.000% * 0.1204% (0.41 1.0 0.02 0.02) = 0.120% HA2 GLY 114 - HG3 GLU- 10 1.000% * 0.1204% (0.41 1.0 0.02 0.02) = 0.120% HA GLU- 18 - HG2 GLU- 56 1.000% * 0.1176% (0.40 1.0 0.02 0.02) = 0.118% HA ASN 89 - HG2 GLU- 56 1.000% * 0.1172% (0.40 1.0 0.02 0.02) = 0.117% HA GLU- 12 - HG3 GLU- 10 1.000% * 0.1114% (0.38 1.0 0.02 0.02) = 0.111% HA PRO 59 - HG2 GLU- 56 1.000% * 0.1064% (0.36 1.0 0.02 0.02) = 0.106% HA LYS+ 108 - HG2 GLU- 56 1.000% * 0.1020% (0.35 1.0 0.02 0.02) = 0.102% HA HIS+ 4 - HG3 GLU- 75 1.000% * 0.0997% (0.34 1.0 0.02 0.02) = 0.100% HA VAL 73 - HG3 GLU- 10 1.000% * 0.0978% (0.33 1.0 0.02 0.02) = 0.098% HA GLU- 56 - HG3 GLU- 10 1.000% * 0.0941% (0.32 1.0 0.02 0.02) = 0.094% HA ALA 42 - HG3 GLU- 75 1.000% * 0.0935% (0.32 1.0 0.02 0.02) = 0.093% HA LYS+ 110 - HG3 GLU- 75 1.000% * 0.0873% (0.30 1.0 0.02 0.02) = 0.087% HA HIS+ 4 - HG2 GLU- 56 1.000% * 0.0824% (0.28 1.0 0.02 0.02) = 0.082% HB3 SER 49 - HG3 GLU- 75 1.000% * 0.0811% (0.28 1.0 0.02 0.02) = 0.081% HA2 GLY 114 - HG3 GLU- 75 1.000% * 0.0811% (0.28 1.0 0.02 0.02) = 0.081% HA ALA 42 - HG2 GLU- 56 1.000% * 0.0773% (0.26 1.0 0.02 0.02) = 0.077% HA GLU- 12 - HG3 GLU- 75 1.000% * 0.0750% (0.26 1.0 0.02 0.02) = 0.075% HA LYS+ 110 - HG2 GLU- 56 1.000% * 0.0721% (0.25 1.0 0.02 0.02) = 0.072% HB3 SER 49 - HG2 GLU- 56 1.000% * 0.0670% (0.23 1.0 0.02 0.60) = 0.067% HA2 GLY 114 - HG2 GLU- 56 1.000% * 0.0670% (0.23 1.0 0.02 0.02) = 0.067% HA GLU- 56 - HG3 GLU- 75 1.000% * 0.0634% (0.22 1.0 0.02 0.02) = 0.063% HA GLU- 12 - HG2 GLU- 56 1.000% * 0.0620% (0.21 1.0 0.02 0.02) = 0.062% HA VAL 73 - HG2 GLU- 56 1.000% * 0.0545% (0.19 1.0 0.02 0.02) = 0.054% HA HIS+ 8 - HG3 GLU- 107 1.000% * 0.0520% (0.18 1.0 0.02 0.02) = 0.052% HA HIS+ 8 - HG3 GLU- 109 1.000% * 0.0515% (0.18 1.0 0.02 0.02) = 0.052% HB3 HIS+ 14 - HG3 GLU- 10 1.000% * 0.0509% (0.17 1.0 0.02 0.02) = 0.051% HA GLU- 75 - HG3 GLU- 10 1.000% * 0.0509% (0.17 1.0 0.02 0.02) = 0.051% HA GLU- 54 - HG3 GLU- 107 1.000% * 0.0509% (0.17 1.0 0.02 0.02) = 0.051% HA GLU- 54 - HG3 GLU- 109 1.000% * 0.0505% (0.17 1.0 0.02 0.02) = 0.051% HA SER 49 - HG3 GLU- 107 1.000% * 0.0492% (0.17 1.0 0.02 0.02) = 0.049% HA SER 49 - HG3 GLU- 109 1.000% * 0.0488% (0.17 1.0 0.02 0.02) = 0.049% HA GLU- 18 - HG3 GLU- 107 1.000% * 0.0480% (0.16 1.0 0.02 0.16) = 0.048% HA GLU- 18 - HG3 GLU- 109 1.000% * 0.0476% (0.16 1.0 0.02 0.02) = 0.048% HA ALA 11 - HG3 GLU- 75 1.000% * 0.0476% (0.16 1.0 0.02 0.02) = 0.048% HA PRO 59 - HG3 GLU- 107 1.000% * 0.0434% (0.15 1.0 0.02 0.02) = 0.043% HA PRO 59 - HG3 GLU- 109 1.000% * 0.0431% (0.15 1.0 0.02 0.02) = 0.043% HA GLU- 109 - HG3 GLU- 10 1.000% * 0.0401% (0.14 1.0 0.02 0.02) = 0.040% HA ALA 11 - HG2 GLU- 56 1.000% * 0.0393% (0.13 1.0 0.02 0.02) = 0.039% HB3 HIS+ 14 - HG3 GLU- 75 1.000% * 0.0343% (0.12 1.0 0.02 0.02) = 0.034% HA HIS+ 4 - HG3 GLU- 107 1.000% * 0.0336% (0.11 1.0 0.02 0.02) = 0.034% HA HIS+ 4 - HG3 GLU- 109 1.000% * 0.0333% (0.11 1.0 0.02 0.02) = 0.033% HA ALA 42 - HG3 GLU- 107 1.000% * 0.0315% (0.11 1.0 0.02 0.02) = 0.032% HA ALA 42 - HG3 GLU- 109 1.000% * 0.0313% (0.11 1.0 0.02 0.02) = 0.031% HA LYS+ 110 - HG3 GLU- 107 1.000% * 0.0294% (0.10 1.0 0.02 0.02) = 0.029% HB3 HIS+ 14 - HG2 GLU- 56 1.000% * 0.0284% (0.10 1.0 0.02 0.02) = 0.028% HA GLU- 75 - HG2 GLU- 56 1.000% * 0.0284% (0.10 1.0 0.02 0.02) = 0.028% HB3 SER 49 - HG3 GLU- 107 1.000% * 0.0273% (0.09 1.0 0.02 0.02) = 0.027% HA2 GLY 114 - HG3 GLU- 107 1.000% * 0.0273% (0.09 1.0 0.02 0.02) = 0.027% HB3 SER 49 - HG3 GLU- 109 1.000% * 0.0271% (0.09 1.0 0.02 0.02) = 0.027% HA2 GLY 114 - HG3 GLU- 109 1.000% * 0.0271% (0.09 1.0 0.02 0.02) = 0.027% HA GLU- 109 - HG3 GLU- 75 1.000% * 0.0270% (0.09 1.0 0.02 0.02) = 0.027% HA GLU- 12 - HG3 GLU- 107 1.000% * 0.0253% (0.09 1.0 0.02 0.02) = 0.025% HA GLU- 12 - HG3 GLU- 109 1.000% * 0.0251% (0.09 1.0 0.02 0.02) = 0.025% HA LYS+ 44 - HG3 GLU- 75 1.000% * 0.0229% (0.08 1.0 0.02 0.02) = 0.023% HA GLU- 109 - HG2 GLU- 56 1.000% * 0.0223% (0.08 1.0 0.02 0.02) = 0.022% HA GLU- 56 - HG3 GLU- 107 1.000% * 0.0214% (0.07 1.0 0.02 0.02) = 0.021% HA GLU- 56 - HG3 GLU- 109 1.000% * 0.0212% (0.07 1.0 0.02 0.02) = 0.021% HA LYS+ 44 - HG2 GLU- 56 1.000% * 0.0189% (0.06 1.0 0.02 0.02) = 0.019% HA ALA 11 - HG3 GLU- 107 1.000% * 0.0160% (0.05 1.0 0.02 0.02) = 0.016% HA ALA 11 - HG3 GLU- 109 1.000% * 0.0159% (0.05 1.0 0.02 0.02) = 0.016% HA GLU- 75 - HG3 GLU- 107 1.000% * 0.0116% (0.04 1.0 0.02 0.02) = 0.012% HB3 HIS+ 14 - HG3 GLU- 107 1.000% * 0.0116% (0.04 1.0 0.02 0.02) = 0.012% HA GLU- 75 - HG3 GLU- 109 1.000% * 0.0115% (0.04 1.0 0.02 0.02) = 0.011% HB3 HIS+ 14 - HG3 GLU- 109 1.000% * 0.0115% (0.04 1.0 0.02 0.02) = 0.011% HA GLU- 109 - HG3 GLU- 107 1.000% * 0.0091% (0.03 1.0 0.02 0.02) = 0.009% HA LYS+ 44 - HG3 GLU- 107 1.000% * 0.0077% (0.03 1.0 0.02 0.02) = 0.008% HA LYS+ 44 - HG3 GLU- 109 1.000% * 0.0077% (0.03 1.0 0.02 0.02) = 0.008% Peak 1874 (2.24, 2.24, 36.44 ppm): 5 diagonal assignments: HG3 GLU- 10 - HG3 GLU- 10 (0.74) kept 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): 75 chemical-shift based assignments, quality = 0.221, support = 1.37, residual support = 10.4: O HB3 GLU- 75 - HG3 GLU- 75 1.333% * 47.6899% (0.16 10.0 1.00 1.93 18.79) = 47.690% kept O T HB3 GLU- 107 - HG3 GLU- 107 1.333% * 16.3781% (0.05 10.0 10.00 2.10 8.74) = 16.378% kept T HB2 HIS+ 14 - HG3 GLU- 10 1.333% * 9.2195% (0.69 1.0 10.00 0.08 0.02) = 9.220% kept HB2 LYS+ 44 - HG3 GLU- 10 1.333% * 5.1164% (0.55 1.0 1.00 0.59 0.02) = 5.116% kept HB3 GLU- 45 - HG3 GLU- 10 1.333% * 4.4817% (0.38 1.0 1.00 0.75 0.02) = 4.482% kept HB3 GLU- 45 - HG2 GLU- 56 1.333% * 2.3749% (0.20 1.0 1.00 0.75 0.62) = 2.375% kept HB3 GLU- 45 - HG3 GLU- 75 1.333% * 2.2436% (0.24 1.0 1.00 0.59 0.02) = 2.244% kept HG2 PRO 86 - HG3 GLU- 10 1.333% * 1.4753% (0.66 1.0 1.00 0.14 0.02) = 1.475% kept T HB2 HIS+ 14 - HG3 GLU- 75 1.333% * 1.3842% (0.44 1.0 10.00 0.02 0.02) = 1.384% kept T HB2 HIS+ 14 - HG2 GLU- 56 1.333% * 1.1617% (0.37 1.0 10.00 0.02 0.02) = 1.162% kept HB2 LYS+ 44 - HG2 GLU- 56 1.333% * 0.9149% (0.29 1.0 1.00 0.20 0.02) = 0.915% T HB3 GLU- 107 - HG3 GLU- 10 1.333% * 0.8500% (0.27 1.0 10.00 0.02 0.02) = 0.850% T HB3 GLU- 107 - HG3 GLU- 75 1.333% * 0.5383% (0.17 1.0 10.00 0.02 0.02) = 0.538% T HB3 GLU- 107 - HG2 GLU- 56 1.333% * 0.4518% (0.14 1.0 10.00 0.02 0.02) = 0.452% T HB2 HIS+ 14 - HG3 GLU- 107 1.333% * 0.4211% (0.13 1.0 10.00 0.02 0.02) = 0.421% T HB2 HIS+ 14 - HG3 GLU- 109 1.333% * 0.4167% (0.13 1.0 10.00 0.02 0.02) = 0.417% HB2 GLU- 18 - HG3 GLU- 10 1.333% * 0.2260% (0.71 1.0 1.00 0.02 0.02) = 0.226% HG2 GLU- 64 - HG3 GLU- 10 1.333% * 0.2260% (0.71 1.0 1.00 0.02 0.02) = 0.226% HB VAL 105 - HG3 GLU- 10 1.333% * 0.2220% (0.70 1.0 1.00 0.02 0.02) = 0.222% HG2 PRO 116 - HG3 GLU- 10 1.333% * 0.2142% (0.67 1.0 1.00 0.02 0.02) = 0.214% HB3 PRO 112 - HG3 GLU- 10 1.333% * 0.2091% (0.66 1.0 1.00 0.02 0.02) = 0.209% HB2 PRO 112 - HG3 GLU- 10 1.333% * 0.1965% (0.62 1.0 1.00 0.02 0.02) = 0.196% HB3 PRO 31 - HG3 GLU- 10 1.333% * 0.1731% (0.55 1.0 1.00 0.02 0.02) = 0.173% T HB3 GLU- 107 - HG3 GLU- 109 1.333% * 0.1620% (0.05 1.0 10.00 0.02 0.02) = 0.162% HB2 GLU- 18 - HG3 GLU- 75 1.333% * 0.1431% (0.45 1.0 1.00 0.02 0.02) = 0.143% HG2 GLU- 64 - HG3 GLU- 75 1.333% * 0.1431% (0.45 1.0 1.00 0.02 0.02) = 0.143% HB VAL 105 - HG3 GLU- 75 1.333% * 0.1406% (0.44 1.0 1.00 0.02 0.02) = 0.141% HG2 PRO 116 - HG3 GLU- 75 1.333% * 0.1357% (0.43 1.0 1.00 0.02 0.02) = 0.136% HG2 PRO 86 - HG3 GLU- 75 1.333% * 0.1324% (0.42 1.0 1.00 0.02 0.02) = 0.132% HB3 PRO 112 - HG3 GLU- 75 1.333% * 0.1324% (0.42 1.0 1.00 0.02 0.02) = 0.132% HB2 PRO 112 - HG3 GLU- 75 1.333% * 0.1244% (0.39 1.0 1.00 0.02 0.02) = 0.124% HB2 GLU- 18 - HG2 GLU- 56 1.333% * 0.1201% (0.38 1.0 1.00 0.02 0.02) = 0.120% HG2 GLU- 64 - HG2 GLU- 56 1.333% * 0.1201% (0.38 1.0 1.00 0.02 0.95) = 0.120% HB VAL 105 - HG2 GLU- 56 1.333% * 0.1180% (0.37 1.0 1.00 0.02 0.02) = 0.118% HG2 PRO 116 - HG2 GLU- 56 1.333% * 0.1139% (0.36 1.0 1.00 0.02 0.02) = 0.114% HG2 PRO 86 - HG2 GLU- 56 1.333% * 0.1111% (0.35 1.0 1.00 0.02 0.02) = 0.111% HB3 PRO 112 - HG2 GLU- 56 1.333% * 0.1111% (0.35 1.0 1.00 0.02 0.02) = 0.111% HB3 PRO 31 - HG3 GLU- 75 1.333% * 0.1096% (0.35 1.0 1.00 0.02 0.02) = 0.110% HB2 LYS+ 44 - HG3 GLU- 75 1.333% * 0.1096% (0.35 1.0 1.00 0.02 0.02) = 0.110% HB2 PRO 112 - HG2 GLU- 56 1.333% * 0.1044% (0.33 1.0 1.00 0.02 0.02) = 0.104% HB3 PRO 31 - HG2 GLU- 56 1.333% * 0.0920% (0.29 1.0 1.00 0.02 0.02) = 0.092% HB3 GLU- 75 - HG3 GLU- 10 1.333% * 0.0779% (0.25 1.0 1.00 0.02 0.02) = 0.078% HB2 LYS+ 108 - HG3 GLU- 10 1.333% * 0.0565% (0.18 1.0 1.00 0.02 0.02) = 0.056% HB3 LYS+ 110 - HG3 GLU- 10 1.333% * 0.0565% (0.18 1.0 1.00 0.02 0.02) = 0.056% HB2 GLU- 18 - HG3 GLU- 107 1.333% * 0.0435% (0.14 1.0 1.00 0.02 0.16) = 0.044% HG2 GLU- 64 - HG3 GLU- 107 1.333% * 0.0435% (0.14 1.0 1.00 0.02 0.02) = 0.044% HB2 GLU- 18 - HG3 GLU- 109 1.333% * 0.0431% (0.14 1.0 1.00 0.02 0.02) = 0.043% HG2 GLU- 64 - HG3 GLU- 109 1.333% * 0.0431% (0.14 1.0 1.00 0.02 0.02) = 0.043% HB VAL 105 - HG3 GLU- 107 1.333% * 0.0428% (0.13 1.0 1.00 0.02 0.02) = 0.043% HB VAL 105 - HG3 GLU- 109 1.333% * 0.0423% (0.13 1.0 1.00 0.02 0.02) = 0.042% HB3 GLU- 75 - HG2 GLU- 56 1.333% * 0.0414% (0.13 1.0 1.00 0.02 0.02) = 0.041% HG2 PRO 116 - HG3 GLU- 107 1.333% * 0.0413% (0.13 1.0 1.00 0.02 0.02) = 0.041% HG2 PRO 116 - HG3 GLU- 109 1.333% * 0.0408% (0.13 1.0 1.00 0.02 0.02) = 0.041% HG2 PRO 86 - HG3 GLU- 107 1.333% * 0.0403% (0.13 1.0 1.00 0.02 0.02) = 0.040% HB3 PRO 112 - HG3 GLU- 107 1.333% * 0.0403% (0.13 1.0 1.00 0.02 0.02) = 0.040% HG2 PRO 86 - HG3 GLU- 109 1.333% * 0.0399% (0.13 1.0 1.00 0.02 0.02) = 0.040% HB3 PRO 112 - HG3 GLU- 109 1.333% * 0.0399% (0.13 1.0 1.00 0.02 0.02) = 0.040% HB2 PRO 112 - HG3 GLU- 107 1.333% * 0.0379% (0.12 1.0 1.00 0.02 0.02) = 0.038% HB2 PRO 112 - HG3 GLU- 109 1.333% * 0.0375% (0.12 1.0 1.00 0.02 0.02) = 0.037% HB2 LYS+ 108 - HG3 GLU- 75 1.333% * 0.0358% (0.11 1.0 1.00 0.02 0.02) = 0.036% HB3 LYS+ 110 - HG3 GLU- 75 1.333% * 0.0358% (0.11 1.0 1.00 0.02 0.02) = 0.036% HB2 LYS+ 44 - HG3 GLU- 107 1.333% * 0.0333% (0.11 1.0 1.00 0.02 0.02) = 0.033% HB3 PRO 31 - HG3 GLU- 107 1.333% * 0.0333% (0.11 1.0 1.00 0.02 0.02) = 0.033% HB2 LYS+ 44 - HG3 GLU- 109 1.333% * 0.0330% (0.10 1.0 1.00 0.02 0.02) = 0.033% HB3 PRO 31 - HG3 GLU- 109 1.333% * 0.0330% (0.10 1.0 1.00 0.02 0.02) = 0.033% HB2 LYS+ 108 - HG2 GLU- 56 1.333% * 0.0300% (0.09 1.0 1.00 0.02 0.02) = 0.030% HB3 LYS+ 110 - HG2 GLU- 56 1.333% * 0.0300% (0.09 1.0 1.00 0.02 0.02) = 0.030% HB3 GLU- 45 - HG3 GLU- 107 1.333% * 0.0230% (0.07 1.0 1.00 0.02 0.02) = 0.023% HB3 GLU- 45 - HG3 GLU- 109 1.333% * 0.0227% (0.07 1.0 1.00 0.02 0.02) = 0.023% HB3 GLU- 75 - HG3 GLU- 107 1.333% * 0.0150% (0.05 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 75 - HG3 GLU- 109 1.333% * 0.0149% (0.05 1.0 1.00 0.02 0.02) = 0.015% HB2 LYS+ 108 - HG3 GLU- 107 1.333% * 0.0109% (0.03 1.0 1.00 0.02 2.43) = 0.011% HB3 LYS+ 110 - HG3 GLU- 107 1.333% * 0.0109% (0.03 1.0 1.00 0.02 0.02) = 0.011% HB2 LYS+ 108 - HG3 GLU- 109 1.333% * 0.0108% (0.03 1.0 1.00 0.02 3.41) = 0.011% HB3 LYS+ 110 - HG3 GLU- 109 1.333% * 0.0108% (0.03 1.0 1.00 0.02 7.64) = 0.011% 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 = 1.97, residual support = 4.45: HA ILE 68 - HB3 PRO 31 100.000% *100.0000% (0.08 1.97 4.45) = 100.000% kept Peak 1894 (2.07, 2.06, 36.16 ppm): 14 chemical-shift based assignments, quality = 0.0356, support = 0.149, residual support = 0.346: HB2 LEU 43 - HB3 PRO 31 7.143% * 45.6950% (0.03 0.28 0.73) = 45.695% kept HA1 GLY 58 - HB3 PRO 31 7.143% * 9.2638% (0.01 0.15 0.02) = 9.264% kept HG3 ARG+ 53 - HB3 PRO 31 7.143% * 7.8768% (0.07 0.02 0.02) = 7.877% kept HB3 LYS+ 120 - HB3 PRO 31 7.143% * 7.4181% (0.07 0.02 0.02) = 7.418% kept HB3 GLU- 75 - HB3 PRO 31 7.143% * 7.3112% (0.07 0.02 0.02) = 7.311% kept HD3 LYS+ 110 - HB3 PRO 31 7.143% * 4.5496% (0.04 0.02 0.02) = 4.550% kept HB2 LYS+ 110 - HB3 PRO 31 7.143% * 3.9115% (0.03 0.02 0.02) = 3.912% kept HB2 GLU- 45 - HB3 PRO 31 7.143% * 3.0160% (0.03 0.02 0.02) = 3.016% kept HB VAL 125 - HB3 PRO 31 7.143% * 3.0160% (0.03 0.02 0.02) = 3.016% kept HB3 GLU- 10 - HB3 PRO 31 7.143% * 2.4803% (0.02 0.02 0.02) = 2.480% kept HB VAL 62 - HB3 PRO 31 7.143% * 1.4073% (0.01 0.02 0.02) = 1.407% kept HG3 PRO 86 - HB3 PRO 31 7.143% * 1.4073% (0.01 0.02 0.02) = 1.407% kept HB VAL 87 - HB3 PRO 31 7.143% * 1.4073% (0.01 0.02 0.02) = 1.407% kept HB VAL 65 - HB3 PRO 31 7.143% * 1.2399% (0.01 0.02 0.02) = 1.240% kept Not enough support, support cutoff is 0.22 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 = 0.763, support = 1.12, residual support = 1.58: HN LYS+ 60 - HB2 LYS+ 66 16.667% * 79.6506% (0.85 1.32 1.98) = 79.651% kept HN ASN 57 - HB2 LYS+ 66 16.667% * 12.5801% (0.54 0.33 0.02) = 12.580% kept HN LYS+ 60 - HB3 LYS+ 72 16.667% * 6.3701% (0.24 0.37 0.02) = 6.370% kept HN LYS+ 32 - HB2 LYS+ 66 16.667% * 0.9217% (0.65 0.02 0.02) = 0.922% HN LYS+ 32 - HB3 LYS+ 72 16.667% * 0.2617% (0.19 0.02 0.02) = 0.262% HN ASN 57 - HB3 LYS+ 72 16.667% * 0.2157% (0.15 0.02 0.02) = 0.216% Peak 1912 (4.43, 1.66, 34.55 ppm): 12 chemical-shift based assignments, quality = 0.647, support = 0.597, residual support = 0.105: HA VAL 73 - HB3 MET 97 8.333% * 31.2051% (0.72 0.73 0.17) = 31.205% kept HA ASN 89 - HB3 MET 97 8.333% * 30.8717% (0.62 0.84 0.14) = 30.872% kept HB THR 24 - HB3 MET 97 8.333% * 13.2428% (0.88 0.25 0.02) = 13.243% kept HA LYS+ 66 - HB3 MET 97 8.333% * 12.1433% (0.61 0.33 0.02) = 12.143% kept HA VAL 99 - HB3 MET 97 8.333% * 8.7801% (0.36 0.40 0.02) = 8.780% kept HA LYS+ 111 - HB3 MET 97 8.333% * 1.0567% (0.89 0.02 0.02) = 1.057% kept HA CYS 121 - HB3 MET 97 8.333% * 0.7673% (0.64 0.02 0.02) = 0.767% HA ILE 100 - HB3 MET 97 8.333% * 0.5680% (0.12 0.08 0.02) = 0.568% HA HIS+ 14 - HB3 MET 97 8.333% * 0.4738% (0.40 0.02 0.02) = 0.474% HA THR 24 - HB3 MET 97 8.333% * 0.4344% (0.36 0.02 0.02) = 0.434% HA GLU- 50 - HB3 MET 97 8.333% * 0.2938% (0.25 0.02 0.02) = 0.294% HA ILE 101 - HB3 MET 97 8.333% * 0.1630% (0.14 0.02 0.02) = 0.163% Peak 1913 (4.37, 1.85, 34.50 ppm): 32 chemical-shift based assignments, quality = 0.584, support = 1.09, residual support = 2.46: HA LYS+ 60 - HB2 LYS+ 66 3.125% * 34.0666% (0.87 1.16 1.98) = 34.067% kept HA ASN 89 - HB2 LYS+ 66 3.125% * 16.4698% (0.75 0.65 0.11) = 16.470% kept HA VAL 73 - HB3 LYS+ 72 3.125% * 15.9357% (0.23 2.02 9.25) = 15.936% kept HA VAL 73 - HB2 LYS+ 66 3.125% * 10.2593% (0.97 0.31 0.02) = 10.259% kept HB THR 61 - HB2 LYS+ 66 3.125% * 9.8859% (0.19 1.53 0.72) = 9.886% kept HA VAL 94 - HB3 LYS+ 72 3.125% * 2.9997% (0.04 2.47 7.12) = 3.000% kept HA LYS+ 60 - HB3 LYS+ 72 3.125% * 2.0681% (0.21 0.29 0.02) = 2.068% kept HA VAL 94 - HB2 LYS+ 66 3.125% * 1.4141% (0.15 0.28 0.02) = 1.414% kept HB3 HIS+ 4 - HB2 LYS+ 66 3.125% * 0.6508% (0.97 0.02 0.02) = 0.651% HA2 GLY 26 - HB2 LYS+ 66 3.125% * 0.6294% (0.94 0.02 0.02) = 0.629% HA THR 38 - HB2 LYS+ 66 3.125% * 0.6294% (0.94 0.02 0.02) = 0.629% HA LYS+ 117 - HB2 LYS+ 66 3.125% * 0.5849% (0.87 0.02 0.02) = 0.585% HA ALA 37 - HB2 LYS+ 66 3.125% * 0.5448% (0.81 0.02 0.02) = 0.545% HA ASN 57 - HB2 LYS+ 66 3.125% * 0.5223% (0.78 0.02 0.02) = 0.522% HA MET 1 - HB2 LYS+ 66 3.125% * 0.5223% (0.78 0.02 0.02) = 0.522% HA1 GLY 26 - HB2 LYS+ 66 3.125% * 0.4480% (0.67 0.02 0.02) = 0.448% HA HIS+ 3 - HB2 LYS+ 66 3.125% * 0.3693% (0.55 0.02 0.02) = 0.369% HA TRP 51 - HB2 LYS+ 66 3.125% * 0.3693% (0.55 0.02 0.02) = 0.369% HA SER 88 - HB2 LYS+ 66 3.125% * 0.1626% (0.24 0.02 0.02) = 0.163% HB3 HIS+ 4 - HB3 LYS+ 72 3.125% * 0.1574% (0.23 0.02 0.02) = 0.157% HA2 GLY 26 - HB3 LYS+ 72 3.125% * 0.1522% (0.23 0.02 0.02) = 0.152% HA THR 38 - HB3 LYS+ 72 3.125% * 0.1522% (0.23 0.02 0.02) = 0.152% HA LYS+ 117 - HB3 LYS+ 72 3.125% * 0.1414% (0.21 0.02 0.02) = 0.141% HA ALA 37 - HB3 LYS+ 72 3.125% * 0.1317% (0.20 0.02 0.02) = 0.132% HA MET 1 - HB3 LYS+ 72 3.125% * 0.1263% (0.19 0.02 0.02) = 0.126% HA ASN 57 - HB3 LYS+ 72 3.125% * 0.1263% (0.19 0.02 0.02) = 0.126% HA ASN 89 - HB3 LYS+ 72 3.125% * 0.1229% (0.18 0.02 0.02) = 0.123% HA1 GLY 26 - HB3 LYS+ 72 3.125% * 0.1083% (0.16 0.02 0.02) = 0.108% HA TRP 51 - HB3 LYS+ 72 3.125% * 0.0893% (0.13 0.02 0.02) = 0.089% HA HIS+ 3 - HB3 LYS+ 72 3.125% * 0.0893% (0.13 0.02 0.02) = 0.089% HA SER 88 - HB3 LYS+ 72 3.125% * 0.0393% (0.06 0.02 0.02) = 0.039% HB THR 61 - HB3 LYS+ 72 3.125% * 0.0312% (0.05 0.02 0.02) = 0.031% Peak 1914 (2.24, 1.67, 34.43 ppm): 24 chemical-shift based assignments, quality = 0.405, support = 0.19, residual support = 0.0549: HB VAL 80 - HB3 MET 97 4.167% * 29.9104% (0.41 0.31 0.02) = 29.910% kept HG3 GLU- 75 - HB3 MET 97 4.167% * 27.2231% (0.62 0.19 0.02) = 27.223% kept HG3 GLU- 18 - HB3 MET 97 4.167% * 10.1033% (0.34 0.13 0.38) = 10.103% kept HG3 GLU- 18 - HB VAL 99 4.167% * 6.9159% (0.10 0.29 0.02) = 6.916% kept HA1 GLY 58 - HB VAL 99 4.167% * 3.9295% (0.08 0.22 0.02) = 3.929% kept HG3 GLU- 10 - HB3 MET 97 4.167% * 2.8892% (0.63 0.02 0.02) = 2.889% kept HG2 GLU- 56 - HB3 MET 97 4.167% * 2.8447% (0.62 0.02 0.02) = 2.845% kept HB3 PRO 52 - HB3 MET 97 4.167% * 2.3603% (0.51 0.02 0.02) = 2.360% kept HG3 MET 118 - HB3 MET 97 4.167% * 2.0247% (0.44 0.02 0.02) = 2.025% kept HG3 GLU- 107 - HB3 MET 97 4.167% * 1.4348% (0.31 0.02 0.02) = 1.435% kept HB2 GLU- 50 - HB3 MET 97 4.167% * 1.3215% (0.29 0.02 0.02) = 1.322% kept HA1 GLY 58 - HB3 MET 97 4.167% * 1.1563% (0.25 0.02 0.02) = 1.156% kept HG3 GLU- 109 - HB3 MET 97 4.167% * 1.0055% (0.22 0.02 0.02) = 1.005% kept HG3 GLU- 10 - HB VAL 99 4.167% * 0.9003% (0.20 0.02 0.02) = 0.900% HG3 GLU- 75 - HB VAL 99 4.167% * 0.8864% (0.19 0.02 0.02) = 0.886% HG2 GLU- 56 - HB VAL 99 4.167% * 0.8864% (0.19 0.02 0.02) = 0.886% HG3 MET 126 - HB3 MET 97 4.167% * 0.8195% (0.18 0.02 0.02) = 0.820% HB3 PRO 52 - HB VAL 99 4.167% * 0.7355% (0.16 0.02 0.02) = 0.735% HG3 MET 118 - HB VAL 99 4.167% * 0.6309% (0.14 0.02 0.02) = 0.631% HB VAL 80 - HB VAL 99 4.167% * 0.5942% (0.13 0.02 0.02) = 0.594% HG3 GLU- 107 - HB VAL 99 4.167% * 0.4471% (0.10 0.02 0.02) = 0.447% HB2 GLU- 50 - HB VAL 99 4.167% * 0.4118% (0.09 0.02 0.02) = 0.412% HG3 GLU- 109 - HB VAL 99 4.167% * 0.3133% (0.07 0.02 0.02) = 0.313% HG3 MET 126 - HB VAL 99 4.167% * 0.2554% (0.06 0.02 0.02) = 0.255% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 1915 (2.14, 2.36, 34.32 ppm): 9 chemical-shift based assignments, quality = 0.286, support = 2.22, residual support = 18.8: O HB3 LYS+ 78 - HB2 LYS+ 78 11.111% * 65.5969% (0.26 10.0 1.00 2.97 28.44) = 65.597% kept T HB2 ASP- 28 - HB2 LYS+ 78 11.111% * 34.0958% (0.34 1.0 10.00 0.80 0.28) = 34.096% kept HB VAL 47 - HB2 LYS+ 78 11.111% * 0.0856% (0.34 1.0 1.00 0.02 0.02) = 0.086% HG3 GLN 102 - HB2 LYS+ 78 11.111% * 0.0828% (0.33 1.0 1.00 0.02 0.02) = 0.083% HB3 GLU- 75 - HB2 LYS+ 78 11.111% * 0.0657% (0.26 1.0 1.00 0.02 0.02) = 0.066% HA1 GLY 58 - HB2 LYS+ 78 11.111% * 0.0200% (0.08 1.0 1.00 0.02 0.02) = 0.020% HG3 GLU- 56 - HB2 LYS+ 78 11.111% * 0.0191% (0.08 1.0 1.00 0.02 0.02) = 0.019% HG2 PRO 104 - HB2 LYS+ 78 11.111% * 0.0170% (0.07 1.0 1.00 0.02 0.02) = 0.017% HB3 LEU 43 - HB2 LYS+ 78 11.111% * 0.0170% (0.07 1.0 1.00 0.02 0.02) = 0.017% Peak 1916 (1.68, 1.85, 34.48 ppm): 10 chemical-shift based assignments, quality = 0.495, support = 0.261, residual support = 0.0211: HB3 MET 126 - HB2 LYS+ 66 10.000% * 69.4987% (0.49 0.35 0.02) = 69.499% kept HG3 ARG+ 84 - HB2 LYS+ 66 10.000% * 8.5011% (0.15 0.14 0.02) = 8.501% kept HB VAL 99 - HB2 LYS+ 66 10.000% * 6.9093% (0.87 0.02 0.02) = 6.909% kept HD3 LYS+ 55 - HB2 LYS+ 66 10.000% * 6.9093% (0.87 0.02 0.02) = 6.909% kept HB VAL 99 - HB3 LYS+ 72 10.000% * 2.3801% (0.30 0.02 0.02) = 2.380% kept HD3 LYS+ 55 - HB3 LYS+ 72 10.000% * 2.3801% (0.30 0.02 0.02) = 2.380% kept HB3 MET 126 - HB3 LYS+ 72 10.000% * 1.3595% (0.17 0.02 0.02) = 1.360% kept HB2 HIS+ 8 - HB2 LYS+ 66 10.000% * 1.2208% (0.15 0.02 0.12) = 1.221% kept HB2 HIS+ 8 - HB3 LYS+ 72 10.000% * 0.4205% (0.05 0.02 0.02) = 0.421% HG3 ARG+ 84 - HB3 LYS+ 72 10.000% * 0.4205% (0.05 0.02 0.02) = 0.421% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 1917 (1.67, 1.66, 34.47 ppm): 2 diagonal assignments: HB3 MET 97 - HB3 MET 97 (0.36) kept HB VAL 99 - HB VAL 99 (0.05) kept Peak 1918 (1.51, 1.86, 34.37 ppm): 16 chemical-shift based assignments, quality = 0.524, support = 3.53, residual support = 31.4: O HG3 LYS+ 72 - HB3 LYS+ 72 6.250% * 46.9045% (0.56 10.0 1.00 3.17 33.70) = 46.905% kept O HB2 LYS+ 72 - HB3 LYS+ 72 6.250% * 45.9757% (0.55 10.0 1.00 4.31 33.70) = 45.976% kept T HG LEU 74 - HB2 LYS+ 66 6.250% * 5.1989% (0.11 1.0 10.00 1.16 1.22) = 5.199% kept T HG LEU 74 - HB3 LYS+ 72 6.250% * 1.5607% (0.11 1.0 10.00 0.34 0.11) = 1.561% kept HG3 LYS+ 72 - HB2 LYS+ 66 6.250% * 0.0462% (0.55 1.0 1.00 0.02 0.02) = 0.046% HB2 LYS+ 72 - HB2 LYS+ 66 6.250% * 0.0452% (0.54 1.0 1.00 0.02 0.02) = 0.045% HD3 LYS+ 108 - HB3 LYS+ 72 6.250% * 0.0433% (0.52 1.0 1.00 0.02 0.02) = 0.043% HD3 LYS+ 108 - HB2 LYS+ 66 6.250% * 0.0426% (0.51 1.0 1.00 0.02 0.02) = 0.043% HG LEU 43 - HB3 LYS+ 72 6.250% * 0.0407% (0.49 1.0 1.00 0.02 0.02) = 0.041% HG LEU 43 - HB2 LYS+ 66 6.250% * 0.0400% (0.48 1.0 1.00 0.02 0.02) = 0.040% HG LEU 9 - HB3 LYS+ 72 6.250% * 0.0266% (0.32 1.0 1.00 0.02 0.02) = 0.027% HG LEU 9 - HB2 LYS+ 66 6.250% * 0.0261% (0.31 1.0 1.00 0.02 0.02) = 0.026% QG2 VAL 80 - HB3 LYS+ 72 6.250% * 0.0145% (0.17 1.0 1.00 0.02 0.02) = 0.014% QG2 VAL 80 - HB2 LYS+ 66 6.250% * 0.0142% (0.17 1.0 1.00 0.02 0.02) = 0.014% QB ALA 70 - HB3 LYS+ 72 6.250% * 0.0104% (0.13 1.0 1.00 0.02 1.89) = 0.010% QB ALA 70 - HB2 LYS+ 66 6.250% * 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 = 0.806, support = 0.945, residual support = 0.873: HG LEU 74 - HB2 LYS+ 66 6.250% * 48.6101% (0.89 1.16 1.22) = 48.610% kept QG2 THR 61 - HB2 LYS+ 66 6.250% * 37.8953% (0.87 0.93 0.72) = 37.895% kept QG2 THR 96 - HB2 LYS+ 66 6.250% * 4.2444% (0.72 0.13 0.02) = 4.244% kept HG LEU 74 - HB3 LYS+ 72 6.250% * 3.0787% (0.19 0.34 0.11) = 3.079% kept QG2 THR 61 - HB3 LYS+ 72 6.250% * 2.5307% (0.19 0.29 0.02) = 2.531% kept QG2 THR 95 - HB2 LYS+ 66 6.250% * 1.7969% (0.14 0.28 0.02) = 1.797% kept QG2 THR 79 - HB2 LYS+ 66 6.250% * 0.5106% (0.54 0.02 0.02) = 0.511% HD3 LYS+ 111 - HB2 LYS+ 66 6.250% * 0.3461% (0.37 0.02 0.02) = 0.346% HG3 LYS+ 32 - HB2 LYS+ 66 6.250% * 0.2598% (0.28 0.02 0.02) = 0.260% QB ALA 33 - HB2 LYS+ 66 6.250% * 0.2598% (0.28 0.02 0.02) = 0.260% QG2 THR 96 - HB3 LYS+ 72 6.250% * 0.1445% (0.15 0.02 0.02) = 0.145% QG2 THR 79 - HB3 LYS+ 72 6.250% * 0.1095% (0.12 0.02 0.02) = 0.109% HD3 LYS+ 111 - HB3 LYS+ 72 6.250% * 0.0742% (0.08 0.02 0.02) = 0.074% QB ALA 33 - HB3 LYS+ 72 6.250% * 0.0557% (0.06 0.02 0.02) = 0.056% HG3 LYS+ 32 - HB3 LYS+ 72 6.250% * 0.0557% (0.06 0.02 0.02) = 0.056% QG2 THR 95 - HB3 LYS+ 72 6.250% * 0.0279% (0.03 0.02 0.90) = 0.028% Peak 1920 (1.10, 1.67, 34.54 ppm): 6 chemical-shift based assignments, quality = 0.5, support = 0.768, residual support = 0.823: HG LEU 74 - HB3 MET 97 16.667% * 45.9988% (0.69 0.74 0.68) = 45.999% kept QG2 THR 96 - HB3 MET 97 16.667% * 26.8046% (0.31 0.95 1.76) = 26.805% kept QG2 THR 95 - HB3 MET 97 16.667% * 21.0950% (0.29 0.81 0.16) = 21.095% kept QG2 THR 79 - HB3 MET 97 16.667% * 4.7136% (0.64 0.08 0.02) = 4.714% kept QG2 THR 61 - HB3 MET 97 16.667% * 1.1934% (0.66 0.02 0.02) = 1.193% kept HD3 LYS+ 111 - HB3 MET 97 16.667% * 0.1946% (0.11 0.02 0.02) = 0.195% Peak 1921 (0.90, 1.66, 34.53 ppm): 14 chemical-shift based assignments, quality = 0.535, support = 0.46, residual support = 0.199: HG LEU 74 - HB3 MET 97 7.143% * 24.2131% (0.46 0.74 0.68) = 24.213% kept QG1 VAL 80 - HB3 MET 97 7.143% * 20.8470% (0.68 0.42 0.02) = 20.847% kept QG2 VAL 99 - HB3 MET 97 7.143% * 13.2358% (0.28 0.66 0.02) = 13.236% kept QG2 VAL 73 - HB3 MET 97 7.143% * 12.3348% (0.31 0.56 0.17) = 12.335% kept QD1 LEU 67 - HB3 MET 97 7.143% * 11.3159% (0.79 0.20 0.02) = 11.316% kept QG2 VAL 87 - HB3 MET 97 7.143% * 8.3770% (0.77 0.15 0.02) = 8.377% kept HG13 ILE 68 - HB3 MET 97 7.143% * 4.5142% (0.76 0.08 0.02) = 4.514% kept QG2 VAL 105 - HB3 MET 97 7.143% * 1.1815% (0.82 0.02 0.02) = 1.181% kept QG1 VAL 47 - HB3 MET 97 7.143% * 1.1736% (0.81 0.02 0.02) = 1.174% kept QG1 VAL 122 - HB3 MET 97 7.143% * 0.8134% (0.56 0.02 0.02) = 0.813% QG2 VAL 47 - HB3 MET 97 7.143% * 0.6230% (0.43 0.02 0.02) = 0.623% QG2 VAL 125 - HB3 MET 97 7.143% * 0.5764% (0.40 0.02 0.02) = 0.576% QG1 VAL 40 - HB3 MET 97 7.143% * 0.5309% (0.37 0.02 0.02) = 0.531% QG2 VAL 122 - HB3 MET 97 7.143% * 0.2636% (0.18 0.02 0.02) = 0.264% Peak 1922 (8.59, 1.88, 34.05 ppm): 4 chemical-shift based assignments, quality = 0.217, support = 3.33, residual support = 8.1: HN VAL 73 - HB3 LYS+ 72 25.000% * 87.4930% (0.22 3.75 9.25) = 87.493% kept HN LYS+ 20 - HB3 LYS+ 72 25.000% * 11.3737% (0.25 0.42 0.02) = 11.374% kept HN THR 39 - HB3 LYS+ 72 25.000% * 0.5761% (0.27 0.02 0.02) = 0.576% HN VAL 80 - HB3 LYS+ 72 25.000% * 0.5572% (0.26 0.02 0.02) = 0.557% Peak 1923 (8.32, 2.18, 33.96 ppm): 49 chemical-shift based assignments, quality = 0.636, support = 0.529, residual support = 0.6: HN VAL 99 - HG3 GLN 16 2.041% * 33.6486% (0.70 0.86 0.98) = 33.649% kept HN VAL 99 - HG2 GLN 16 2.041% * 24.4375% (0.77 0.57 0.98) = 24.437% kept HN VAL 99 - HG2 GLN 102 2.041% * 16.7783% (0.78 0.38 0.13) = 16.778% kept HN VAL 99 - HG3 GLN 102 2.041% * 4.2152% (0.13 0.58 0.13) = 4.215% kept HN ASN 76 - HG2 GLN 16 2.041% * 4.0807% (0.96 0.08 0.02) = 4.081% kept HN GLY 114 - HG3 GLN 102 2.041% * 2.6334% (0.16 0.29 0.02) = 2.633% kept HN ASN 76 - HG2 GLN 102 2.041% * 1.0920% (0.98 0.02 0.02) = 1.092% kept HN GLY 114 - HG2 GLN 102 2.041% * 1.0847% (0.97 0.02 0.02) = 1.085% kept HN GLY 114 - HG2 GLN 16 2.041% * 1.0649% (0.95 0.02 0.02) = 1.065% kept HN ASN 76 - HG3 GLN 16 2.041% * 0.9737% (0.87 0.02 0.02) = 0.974% HN GLY 114 - HG3 GLN 16 2.041% * 0.9672% (0.87 0.02 0.02) = 0.967% HN ASN 76 - HG2 MET 126 2.041% * 0.7424% (0.66 0.02 0.02) = 0.742% HN GLY 114 - HG2 MET 126 2.041% * 0.7374% (0.66 0.02 0.02) = 0.737% HN GLU- 50 - HG2 GLN 102 2.041% * 0.7080% (0.63 0.02 0.02) = 0.708% HN GLU- 50 - HG2 GLN 16 2.041% * 0.6950% (0.62 0.02 0.02) = 0.695% HN GLU- 50 - HG3 GLN 16 2.041% * 0.6313% (0.57 0.02 0.02) = 0.631% HN VAL 99 - HG2 MET 126 2.041% * 0.5958% (0.53 0.02 0.02) = 0.596% HN GLU- 50 - HG2 MET 126 2.041% * 0.4813% (0.43 0.02 0.02) = 0.481% HN ALA 91 - HG2 GLN 102 2.041% * 0.3043% (0.27 0.02 0.02) = 0.304% HN ALA 91 - HG2 GLN 16 2.041% * 0.2987% (0.27 0.02 0.02) = 0.299% HN ALA 91 - HG3 GLN 16 2.041% * 0.2713% (0.24 0.02 0.02) = 0.271% HN ASN 76 - HG3 MET 126 2.041% * 0.2304% (0.21 0.02 0.02) = 0.230% HN GLY 114 - HG3 MET 126 2.041% * 0.2289% (0.20 0.02 0.02) = 0.229% HN ALA 91 - HG2 MET 126 2.041% * 0.2069% (0.19 0.02 0.02) = 0.207% HN LEU 9 - HG2 GLN 102 2.041% * 0.1917% (0.17 0.02 0.02) = 0.192% HN GLU- 109 - HG2 GLN 102 2.041% * 0.1917% (0.17 0.02 0.02) = 0.192% HN LEU 9 - HG2 GLN 16 2.041% * 0.1882% (0.17 0.02 0.02) = 0.188% HN GLU- 109 - HG2 GLN 16 2.041% * 0.1882% (0.17 0.02 0.02) = 0.188% HN VAL 99 - HG3 MET 126 2.041% * 0.1849% (0.17 0.02 0.02) = 0.185% HN ASN 76 - HG3 GLN 102 2.041% * 0.1816% (0.16 0.02 0.02) = 0.182% HN LEU 9 - HG3 GLN 16 2.041% * 0.1709% (0.15 0.02 0.02) = 0.171% HN GLU- 109 - HG3 GLN 16 2.041% * 0.1709% (0.15 0.02 0.02) = 0.171% HN ASN 76 - HB3 LYS+ 78 2.041% * 0.1564% (0.14 0.02 0.02) = 0.156% HN GLY 114 - HB3 LYS+ 78 2.041% * 0.1553% (0.14 0.02 0.02) = 0.155% HN GLU- 50 - HG3 MET 126 2.041% * 0.1494% (0.13 0.02 0.02) = 0.149% HN LEU 9 - HG2 MET 126 2.041% * 0.1303% (0.12 0.02 0.02) = 0.130% HN GLU- 109 - HG2 MET 126 2.041% * 0.1303% (0.12 0.02 0.02) = 0.130% HN VAL 99 - HB3 LYS+ 78 2.041% * 0.1255% (0.11 0.02 0.02) = 0.125% HN GLU- 50 - HG3 GLN 102 2.041% * 0.1178% (0.11 0.02 0.02) = 0.118% HN GLU- 50 - HB3 LYS+ 78 2.041% * 0.1014% (0.09 0.02 0.02) = 0.101% HN ALA 91 - HG3 MET 126 2.041% * 0.0642% (0.06 0.02 0.02) = 0.064% HN ALA 91 - HG3 GLN 102 2.041% * 0.0506% (0.05 0.02 0.02) = 0.051% HN ALA 91 - HB3 LYS+ 78 2.041% * 0.0436% (0.04 0.02 0.02) = 0.044% HN LEU 9 - HG3 MET 126 2.041% * 0.0404% (0.04 0.02 0.02) = 0.040% HN GLU- 109 - HG3 MET 126 2.041% * 0.0404% (0.04 0.02 0.02) = 0.040% HN LEU 9 - HG3 GLN 102 2.041% * 0.0319% (0.03 0.02 0.02) = 0.032% HN GLU- 109 - HG3 GLN 102 2.041% * 0.0319% (0.03 0.02 0.02) = 0.032% HN LEU 9 - HB3 LYS+ 78 2.041% * 0.0274% (0.02 0.02 0.02) = 0.027% HN GLU- 109 - HB3 LYS+ 78 2.041% * 0.0274% (0.02 0.02 0.02) = 0.027% Peak 1924 (8.22, 1.85, 33.99 ppm): 12 chemical-shift based assignments, quality = 0.578, support = 2.22, residual support = 5.48: HN VAL 94 - HB3 LYS+ 72 8.333% * 63.8947% (0.64 2.94 7.12) = 63.895% kept HN GLU- 45 - HB3 LYS+ 72 8.333% * 22.7888% (0.51 1.33 4.04) = 22.789% kept HN LYS+ 81 - HB3 LYS+ 72 8.333% * 5.2982% (0.35 0.45 0.02) = 5.298% kept HN VAL 105 - HB3 LYS+ 72 8.333% * 4.9499% (0.63 0.23 0.02) = 4.950% kept HN LEU 67 - HB3 LYS+ 72 8.333% * 1.3701% (0.35 0.12 0.02) = 1.370% kept HN ALA 11 - HB3 LYS+ 72 8.333% * 0.3756% (0.55 0.02 0.02) = 0.376% HN SER 49 - HB3 LYS+ 72 8.333% * 0.3601% (0.53 0.02 0.02) = 0.360% HN GLY 58 - HB3 LYS+ 72 8.333% * 0.2909% (0.43 0.02 0.02) = 0.291% HN MET 118 - HB3 LYS+ 72 8.333% * 0.2546% (0.38 0.02 0.02) = 0.255% HN GLU- 12 - HB3 LYS+ 72 8.333% * 0.1849% (0.27 0.02 0.02) = 0.185% HN LYS+ 117 - HB3 LYS+ 72 8.333% * 0.1534% (0.23 0.02 0.02) = 0.153% HN ALA 33 - HB3 LYS+ 72 8.333% * 0.0788% (0.12 0.02 0.02) = 0.079% Peak 1925 (7.97, 1.87, 34.08 ppm): 2 chemical-shift based assignments, quality = 0.413, support = 3.5, residual support = 33.7: O HN LYS+ 72 - HB3 LYS+ 72 50.000% * 99.9063% (0.41 10.0 3.50 33.70) = 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): 36 chemical-shift based assignments, quality = 0.517, support = 0.682, residual support = 1.36: HA ASN 15 - HG3 GLN 16 2.778% * 23.5859% (0.61 1.14 2.48) = 23.586% kept HA ASN 15 - HG2 GLN 16 2.778% * 19.9242% (0.73 0.81 2.48) = 19.924% kept HA ASN 89 - HG2 GLN 102 2.778% * 8.9396% (0.22 1.20 3.02) = 8.940% kept HA ASN 89 - HG2 GLN 16 2.778% * 5.9949% (0.25 0.71 0.02) = 5.995% kept HA PRO 116 - HG2 GLN 16 2.778% * 5.9390% (0.76 0.23 0.02) = 5.939% kept HA ASN 89 - HG3 GLN 16 2.778% * 5.0136% (0.21 0.71 0.02) = 5.014% kept HA PRO 116 - HG3 GLN 16 2.778% * 4.9669% (0.64 0.23 0.02) = 4.967% kept HA ASP- 115 - HG2 GLN 102 2.778% * 4.6266% (0.54 0.25 0.02) = 4.627% kept HA ASP- 115 - HG2 GLN 16 2.778% * 4.0541% (0.61 0.20 0.02) = 4.054% kept HA ASN 15 - HG2 GLN 102 2.778% * 3.6806% (0.64 0.17 0.02) = 3.681% kept HA ASP- 115 - HG3 GLN 16 2.778% * 3.3905% (0.51 0.20 0.02) = 3.391% kept HA PRO 116 - HG2 GLN 102 2.778% * 2.0855% (0.68 0.09 0.02) = 2.086% kept HA ASN 89 - HG2 MET 126 2.778% * 2.0445% (0.17 0.36 0.02) = 2.045% kept HA ASN 89 - HG3 MET 126 2.778% * 0.7263% (0.06 0.36 0.02) = 0.726% HA LYS+ 113 - HG2 GLN 16 2.778% * 0.6436% (0.94 0.02 0.02) = 0.644% HA LYS+ 113 - HG2 GLN 102 2.778% * 0.5721% (0.84 0.02 0.02) = 0.572% HA LYS+ 113 - HG3 GLN 16 2.778% * 0.5383% (0.79 0.02 0.02) = 0.538% HA LYS+ 113 - HG2 MET 126 2.778% * 0.4336% (0.64 0.02 0.02) = 0.434% HA PRO 116 - HG2 MET 126 2.778% * 0.3503% (0.51 0.02 0.02) = 0.350% HA ASN 15 - HG2 MET 126 2.778% * 0.3329% (0.49 0.02 0.02) = 0.333% HA GLU- 107 - HG2 GLN 16 2.778% * 0.2797% (0.41 0.02 0.02) = 0.280% HA ASP- 115 - HG2 MET 126 2.778% * 0.2780% (0.41 0.02 0.02) = 0.278% HA GLU- 107 - HG2 GLN 102 2.778% * 0.2486% (0.36 0.02 0.02) = 0.249% HA GLU- 107 - HG3 GLN 16 2.778% * 0.2339% (0.34 0.02 0.02) = 0.234% HA GLU- 107 - HG2 MET 126 2.778% * 0.1884% (0.28 0.02 0.02) = 0.188% HA LYS+ 113 - HG3 MET 126 2.778% * 0.1540% (0.23 0.02 0.02) = 0.154% HA PRO 116 - HG3 MET 126 2.778% * 0.1244% (0.18 0.02 0.02) = 0.124% HA ASN 15 - HG3 MET 126 2.778% * 0.1182% (0.17 0.02 0.02) = 0.118% HA ASP- 115 - HG3 MET 126 2.778% * 0.0988% (0.14 0.02 0.02) = 0.099% HA LYS+ 113 - HB3 LYS+ 78 2.778% * 0.0935% (0.14 0.02 0.02) = 0.094% HA PRO 116 - HB3 LYS+ 78 2.778% * 0.0756% (0.11 0.02 0.02) = 0.076% HA ASN 15 - HB3 LYS+ 78 2.778% * 0.0718% (0.11 0.02 0.02) = 0.072% HA GLU- 107 - HG3 MET 126 2.778% * 0.0669% (0.10 0.02 0.02) = 0.067% HA ASP- 115 - HB3 LYS+ 78 2.778% * 0.0600% (0.09 0.02 0.02) = 0.060% HA GLU- 107 - HB3 LYS+ 78 2.778% * 0.0406% (0.06 0.02 0.02) = 0.041% HA ASN 89 - HB3 LYS+ 78 2.778% * 0.0244% (0.04 0.02 0.02) = 0.024% Peak 1928 (4.58, 1.87, 34.09 ppm): 5 chemical-shift based assignments, quality = 0.519, support = 3.32, residual support = 33.6: O HA LYS+ 72 - HB3 LYS+ 72 20.000% * 99.6794% (0.52 10.0 3.33 33.70) = 99.679% kept HA LEU 9 - HB3 LYS+ 72 20.000% * 0.1201% (0.63 1.0 0.02 0.02) = 0.120% HA ASP- 25 - HB3 LYS+ 72 20.000% * 0.1080% (0.56 1.0 0.02 0.02) = 0.108% HA ASN 89 - HB3 LYS+ 72 20.000% * 0.0614% (0.32 1.0 0.02 0.02) = 0.061% HA HIS+ 6 - HB3 LYS+ 72 20.000% * 0.0310% (0.16 1.0 0.02 0.02) = 0.031% 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): 15 chemical-shift based assignments, quality = 0.394, support = 1.5, residual support = 2.8: O HB3 MET 126 - HG2 MET 126 6.667% * 51.7083% (0.30 10.0 1.00 2.00 2.90) = 51.708% kept O HB3 MET 126 - HG3 MET 126 6.667% * 44.3659% (0.51 10.0 1.00 1.00 2.90) = 44.366% kept HB VAL 99 - HG2 GLN 16 6.667% * 1.9639% (0.19 1.0 1.00 1.20 0.98) = 1.964% kept T HB VAL 99 - HG3 MET 126 6.667% * 1.2111% (0.70 1.0 10.00 0.02 0.02) = 1.211% kept T HG3 ARG+ 84 - HG3 MET 126 6.667% * 0.3397% (0.20 1.0 10.00 0.02 0.02) = 0.340% HD3 LYS+ 55 - HG3 MET 126 6.667% * 0.1211% (0.70 1.0 1.00 0.02 0.02) = 0.121% HD3 LYS+ 55 - HG2 MET 126 6.667% * 0.0706% (0.41 1.0 1.00 0.02 0.02) = 0.071% HB VAL 99 - HG2 MET 126 6.667% * 0.0706% (0.41 1.0 1.00 0.02 0.02) = 0.071% HB2 HIS+ 8 - HG3 MET 126 6.667% * 0.0340% (0.20 1.0 1.00 0.02 0.02) = 0.034% HD3 LYS+ 55 - HG2 GLN 16 6.667% * 0.0328% (0.19 1.0 1.00 0.02 0.02) = 0.033% HB3 MET 126 - HG2 GLN 16 6.667% * 0.0240% (0.14 1.0 1.00 0.02 0.02) = 0.024% HB2 HIS+ 8 - HG2 MET 126 6.667% * 0.0198% (0.11 1.0 1.00 0.02 0.02) = 0.020% HG3 ARG+ 84 - HG2 MET 126 6.667% * 0.0198% (0.11 1.0 1.00 0.02 0.02) = 0.020% HB2 HIS+ 8 - HG2 GLN 16 6.667% * 0.0092% (0.05 1.0 1.00 0.02 0.02) = 0.009% HG3 ARG+ 84 - HG2 GLN 16 6.667% * 0.0092% (0.05 1.0 1.00 0.02 0.14) = 0.009% Peak 1933 (0.97, 2.18, 33.97 ppm): 36 chemical-shift based assignments, quality = 0.431, support = 1.18, residual support = 1.67: T HG LEU 74 - HG3 MET 126 2.778% * 43.2364% (0.20 10.00 1.25 2.45) = 43.236% kept HG LEU 74 - HG2 MET 126 2.778% * 16.6242% (0.56 1.00 1.70 2.45) = 16.624% kept HG LEU 74 - HG2 GLN 16 2.778% * 13.1844% (0.75 1.00 1.01 0.71) = 13.184% kept HG LEU 74 - HG3 GLN 16 2.778% * 11.2804% (0.63 1.00 1.03 0.71) = 11.280% kept HG LEU 74 - HG2 GLN 102 2.778% * 10.4346% (0.72 1.00 0.83 0.02) = 10.435% kept QG2 ILE 29 - HG2 GLN 16 2.778% * 2.1544% (0.19 1.00 0.64 0.61) = 2.154% kept QG2 ILE 29 - HG3 GLN 16 2.778% * 1.8018% (0.16 1.00 0.64 0.61) = 1.802% kept HG3 LYS+ 63 - HG2 GLN 16 2.778% * 0.0950% (0.27 1.00 0.02 0.02) = 0.095% HG3 LYS+ 63 - HG2 GLN 102 2.778% * 0.0908% (0.26 1.00 0.02 0.02) = 0.091% HG3 LYS+ 63 - HG3 GLN 16 2.778% * 0.0794% (0.23 1.00 0.02 0.02) = 0.079% HG3 LYS+ 63 - HG2 MET 126 2.778% * 0.0710% (0.20 1.00 0.02 0.02) = 0.071% HG2 LYS+ 20 - HG2 GLN 16 2.778% * 0.0676% (0.19 1.00 0.02 0.02) = 0.068% HG12 ILE 68 - HG2 GLN 16 2.778% * 0.0676% (0.19 1.00 0.02 0.02) = 0.068% HG2 LYS+ 20 - HG2 GLN 102 2.778% * 0.0646% (0.19 1.00 0.02 0.02) = 0.065% QG2 ILE 29 - HG2 GLN 102 2.778% * 0.0646% (0.19 1.00 0.02 0.02) = 0.065% HG12 ILE 68 - HG2 GLN 102 2.778% * 0.0646% (0.19 1.00 0.02 0.02) = 0.065% HG2 LYS+ 20 - HG3 GLN 16 2.778% * 0.0565% (0.16 1.00 0.02 0.02) = 0.057% HG12 ILE 68 - HG3 GLN 16 2.778% * 0.0565% (0.16 1.00 0.02 0.02) = 0.057% QG2 VAL 62 - HG2 GLN 16 2.778% * 0.0527% (0.15 1.00 0.02 0.02) = 0.053% HG12 ILE 68 - HG2 MET 126 2.778% * 0.0505% (0.14 1.00 0.02 0.02) = 0.051% HG2 LYS+ 20 - HG2 MET 126 2.778% * 0.0505% (0.14 1.00 0.02 0.02) = 0.051% QG2 ILE 29 - HG2 MET 126 2.778% * 0.0505% (0.14 1.00 0.02 0.02) = 0.051% QG2 VAL 62 - HG2 GLN 102 2.778% * 0.0504% (0.14 1.00 0.02 0.02) = 0.050% QG2 VAL 62 - HG3 GLN 16 2.778% * 0.0441% (0.13 1.00 0.02 0.02) = 0.044% QG2 VAL 62 - HG2 MET 126 2.778% * 0.0394% (0.11 1.00 0.02 0.02) = 0.039% HG LEU 74 - HB3 LYS+ 78 2.778% * 0.0317% (0.09 1.00 0.02 0.02) = 0.032% HG3 LYS+ 63 - HG3 MET 126 2.778% * 0.0252% (0.07 1.00 0.02 0.02) = 0.025% HG12 ILE 68 - HG3 MET 126 2.778% * 0.0179% (0.05 1.00 0.02 0.02) = 0.018% HG2 LYS+ 20 - HG3 MET 126 2.778% * 0.0179% (0.05 1.00 0.02 0.02) = 0.018% QG2 ILE 29 - HG3 MET 126 2.778% * 0.0179% (0.05 1.00 0.02 0.02) = 0.018% QG2 VAL 62 - HG3 MET 126 2.778% * 0.0140% (0.04 1.00 0.02 0.02) = 0.014% HG3 LYS+ 63 - HB3 LYS+ 78 2.778% * 0.0115% (0.03 1.00 0.02 0.02) = 0.012% QG2 ILE 29 - HB3 LYS+ 78 2.778% * 0.0082% (0.02 1.00 0.02 0.19) = 0.008% HG2 LYS+ 20 - HB3 LYS+ 78 2.778% * 0.0082% (0.02 1.00 0.02 0.02) = 0.008% HG12 ILE 68 - HB3 LYS+ 78 2.778% * 0.0082% (0.02 1.00 0.02 0.10) = 0.008% QG2 VAL 62 - HB3 LYS+ 78 2.778% * 0.0064% (0.02 1.00 0.02 0.02) = 0.006% Peak 1934 (0.82, 1.85, 33.98 ppm): 14 chemical-shift based assignments, quality = 0.615, support = 1.83, residual support = 6.46: T QG1 VAL 94 - HB3 LYS+ 72 7.143% * 90.6040% (0.65 10.00 1.98 7.12) = 90.604% kept T HG LEU 74 - HB3 LYS+ 72 7.143% * 5.5672% (0.23 10.00 0.34 0.11) = 5.567% kept QD2 LEU 67 - HB3 LYS+ 72 7.143% * 1.9456% (0.37 1.00 0.75 0.02) = 1.946% kept QB ALA 93 - HB3 LYS+ 72 7.143% * 1.2841% (0.25 1.00 0.75 0.02) = 1.284% kept HG2 LYS+ 113 - HB3 LYS+ 72 7.143% * 0.0908% (0.65 1.00 0.02 0.02) = 0.091% HG3 LYS+ 113 - HB3 LYS+ 72 7.143% * 0.0898% (0.64 1.00 0.02 0.02) = 0.090% QD2 LEU 17 - HB3 LYS+ 72 7.143% * 0.0846% (0.60 1.00 0.02 0.02) = 0.085% QG1 VAL 13 - HB3 LYS+ 72 7.143% * 0.0822% (0.59 1.00 0.02 0.02) = 0.082% QD2 LEU 90 - HB3 LYS+ 72 7.143% * 0.0765% (0.55 1.00 0.02 0.02) = 0.077% QD1 ILE 29 - HB3 LYS+ 72 7.143% * 0.0734% (0.52 1.00 0.02 0.02) = 0.073% QG2 VAL 13 - HB3 LYS+ 72 7.143% * 0.0377% (0.27 1.00 0.02 0.02) = 0.038% HG2 LYS+ 117 - HB3 LYS+ 72 7.143% * 0.0313% (0.22 1.00 0.02 0.02) = 0.031% HG3 LYS+ 117 - HB3 LYS+ 72 7.143% * 0.0204% (0.15 1.00 0.02 0.02) = 0.020% QD1 ILE 100 - HB3 LYS+ 72 7.143% * 0.0124% (0.09 1.00 0.02 0.02) = 0.012% Peak 1935 (0.69, 1.85, 33.99 ppm): 9 chemical-shift based assignments, quality = 0.612, support = 2.05, residual support = 3.99: QG2 VAL 94 - HB3 LYS+ 72 11.111% * 46.2517% (0.64 3.05 7.12) = 46.252% kept QD1 ILE 19 - HB3 LYS+ 72 11.111% * 22.0659% (0.67 1.40 1.37) = 22.066% kept HG12 ILE 19 - HB3 LYS+ 72 11.111% * 19.1943% (0.63 1.30 1.37) = 19.194% kept QG1 VAL 62 - HB3 LYS+ 72 11.111% * 6.9032% (0.30 0.96 1.81) = 6.903% kept HG2 PRO 59 - HB3 LYS+ 72 11.111% * 4.7841% (0.54 0.37 0.02) = 4.784% kept HG LEU 67 - HB3 LYS+ 72 11.111% * 0.2677% (0.57 0.02 0.02) = 0.268% HB2 LEU 9 - HB3 LYS+ 72 11.111% * 0.2567% (0.54 0.02 0.02) = 0.257% QG2 ILE 101 - HB3 LYS+ 72 11.111% * 0.1560% (0.33 0.02 0.02) = 0.156% QG2 ILE 48 - HB3 LYS+ 72 11.111% * 0.1203% (0.26 0.02 0.02) = 0.120% Peak 1936 (0.58, 2.18, 34.00 ppm): 12 chemical-shift based assignments, quality = 0.862, support = 1.32, residual support = 1.52: T QD1 LEU 23 - HG2 GLN 16 8.333% * 45.9556% (0.97 10.00 1.74 1.98) = 45.956% kept T QD1 LEU 23 - HG3 GLN 16 8.333% * 26.7040% (0.75 10.00 1.31 1.98) = 26.704% kept T QD1 LEU 23 - HG2 GLN 102 8.333% * 17.2044% (0.85 10.00 0.75 0.46) = 17.204% kept T QD1 LEU 23 - HG2 MET 126 8.333% * 9.5198% (0.75 10.00 0.47 0.02) = 9.520% kept QD1 LEU 23 - HG3 MET 126 8.333% * 0.5745% (0.30 1.00 0.69 0.02) = 0.574% QD1 ILE 101 - HG2 GLN 16 8.333% * 0.0094% (0.17 1.00 0.02 0.02) = 0.009% QD1 ILE 101 - HG2 GLN 102 8.333% * 0.0082% (0.15 1.00 0.02 16.82) = 0.008% QD1 ILE 101 - HG2 MET 126 8.333% * 0.0072% (0.13 1.00 0.02 0.02) = 0.007% QD1 ILE 101 - HG3 GLN 16 8.333% * 0.0072% (0.13 1.00 0.02 0.02) = 0.007% QD1 LEU 23 - HB3 LYS+ 78 8.333% * 0.0057% (0.11 1.00 0.02 0.02) = 0.006% QD1 ILE 101 - HG3 MET 126 8.333% * 0.0029% (0.05 1.00 0.02 0.02) = 0.003% QD1 ILE 101 - HB3 LYS+ 78 8.333% * 0.0010% (0.02 1.00 0.02 0.02) = 0.001% Peak 1937 (8.93, 2.23, 33.85 ppm): 15 chemical-shift based assignments, quality = 0.556, support = 0.439, residual support = 0.427: HN PHE 21 - HG3 MET 126 6.667% * 36.8846% (0.72 0.51 0.46) = 36.885% kept HN ARG+ 22 - HG3 MET 126 6.667% * 21.8771% (0.58 0.37 0.11) = 21.877% kept HN THR 96 - HG3 MET 126 6.667% * 18.9719% (0.64 0.29 0.02) = 18.972% kept HN GLN 102 - HG3 MET 126 6.667% * 13.8912% (0.18 0.77 1.52) = 13.891% kept HN PHE 21 - HG2 MET 126 6.667% * 3.3210% (0.28 0.12 0.46) = 3.321% kept HN THR 96 - HB2 LYS+ 113 6.667% * 1.9018% (0.07 0.27 0.02) = 1.902% kept HN ARG+ 22 - HG2 MET 126 6.667% * 1.7487% (0.23 0.08 0.11) = 1.749% kept HN THR 96 - HG2 MET 126 6.667% * 0.5067% (0.25 0.02 0.02) = 0.507% HN MET 97 - HG3 MET 126 6.667% * 0.2851% (0.14 0.02 0.02) = 0.285% HN PHE 21 - HB2 LYS+ 113 6.667% * 0.1599% (0.08 0.02 0.02) = 0.160% HN GLN 102 - HG2 MET 126 6.667% * 0.1409% (0.07 0.02 1.52) = 0.141% HN ARG+ 22 - HB2 LYS+ 113 6.667% * 0.1294% (0.06 0.02 0.02) = 0.129% HN MET 97 - HG2 MET 126 6.667% * 0.1108% (0.05 0.02 0.02) = 0.111% HN GLN 102 - HB2 LYS+ 113 6.667% * 0.0397% (0.02 0.02 0.02) = 0.040% HN MET 97 - HB2 LYS+ 113 6.667% * 0.0312% (0.02 0.02 0.02) = 0.031% Not enough total support, support cutoff is 0.44 Peak unassigned. 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): 6 chemical-shift based assignments, quality = 0.168, support = 0.806, residual support = 0.295: HA ASN 119 - HG3 MET 126 16.667% * 66.5377% (0.15 1.08 0.43) = 66.538% kept HA ASN 89 - HG3 MET 126 16.667% * 24.2853% (0.16 0.36 0.02) = 24.285% kept HA2 GLY 30 - HG3 MET 126 16.667% * 3.4715% (0.42 0.02 0.02) = 3.472% kept HA PRO 31 - HG3 MET 126 16.667% * 2.2658% (0.28 0.02 0.02) = 2.266% kept HA GLN 16 - HG3 MET 126 16.667% * 1.7943% (0.22 0.02 0.02) = 1.794% kept HA THR 61 - HG3 MET 126 16.667% * 1.6453% (0.20 0.02 0.02) = 1.645% kept Not enough quality. Peak unassigned. Peak 1940 (4.69, 2.11, 33.83 ppm): 6 chemical-shift based assignments, quality = 0.0816, support = 1.47, residual support = 2.7: HA ASN 89 - HG3 GLN 102 16.667% * 89.3418% (0.07 1.65 3.02) = 89.342% kept HA GLN 16 - HG3 GLN 102 16.667% * 2.9168% (0.19 0.02 0.02) = 2.917% kept HA THR 61 - HG3 GLN 102 16.667% * 2.8464% (0.19 0.02 0.02) = 2.846% kept HA ASN 119 - HG3 GLN 102 16.667% * 2.5755% (0.17 0.02 0.02) = 2.576% kept HA TYR 83 - HG3 GLN 102 16.667% * 1.2676% (0.08 0.02 0.02) = 1.268% kept HA2 GLY 30 - HG3 GLN 102 16.667% * 1.0518% (0.07 0.02 0.02) = 1.052% kept Not enough quality. 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): 5 diagonal assignments: HG2 MET 126 - HG2 MET 126 (0.25) kept HG2 GLN 102 - HG2 GLN 102 (0.18) kept HG2 GLN 16 - HG2 GLN 16 (0.17) kept HG3 GLN 16 - HG3 GLN 16 (0.07) kept HB2 LYS+ 113 - HB2 LYS+ 113 (0.06) kept Peak 1946 (2.21, 2.23, 33.83 ppm): 3 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 Peak 1949 (1.91, 2.23, 33.79 ppm): 42 chemical-shift based assignments, quality = 0.544, support = 1.06, residual support = 1.16: T HB3 GLN 102 - HG3 MET 126 2.381% * 69.8050% (0.60 10.00 1.37 1.52) = 69.805% kept T HB3 GLU- 56 - HG3 MET 126 2.381% * 19.1882% (0.55 10.00 0.40 0.02) = 19.188% kept T HB3 GLN 102 - HG2 MET 126 2.381% * 6.0871% (0.19 10.00 0.37 1.52) = 6.087% kept HB3 MET 118 - HG3 MET 126 2.381% * 1.8946% (0.52 1.00 0.43 0.02) = 1.895% kept HB2 LEU 23 - HG2 MET 126 2.381% * 0.5336% (0.17 1.00 0.36 0.02) = 0.534% T HG2 GLU- 18 - HG3 MET 126 2.381% * 0.3976% (0.23 10.00 0.02 0.02) = 0.398% HB2 LEU 23 - HG3 MET 126 2.381% * 0.3737% (0.54 1.00 0.08 0.02) = 0.374% T HB3 GLU- 56 - HG2 MET 126 2.381% * 0.3084% (0.18 10.00 0.02 0.02) = 0.308% T HB3 GLN 102 - HB2 LYS+ 113 2.381% * 0.1837% (0.11 10.00 0.02 0.02) = 0.184% T HB3 GLU- 56 - HB2 LYS+ 113 2.381% * 0.1707% (0.10 10.00 0.02 0.02) = 0.171% T HG2 GLU- 18 - HG2 MET 126 2.381% * 0.1291% (0.08 10.00 0.02 0.02) = 0.129% HD3 LYS+ 63 - HG3 MET 126 2.381% * 0.1057% (0.62 1.00 0.02 0.02) = 0.106% HB3 GLU- 54 - HG3 MET 126 2.381% * 0.1002% (0.58 1.00 0.02 0.02) = 0.100% HB3 PRO 35 - HG3 MET 126 2.381% * 0.0810% (0.47 1.00 0.02 0.02) = 0.081% T HG2 GLU- 18 - HB2 LYS+ 113 2.381% * 0.0715% (0.04 10.00 0.02 0.17) = 0.071% HB ILE 29 - HG3 MET 126 2.381% * 0.0643% (0.37 1.00 0.02 0.02) = 0.064% HB3 CYS 123 - HG3 MET 126 2.381% * 0.0643% (0.37 1.00 0.02 0.02) = 0.064% HB2 PRO 116 - HG3 MET 126 2.381% * 0.0361% (0.21 1.00 0.02 0.02) = 0.036% HD3 LYS+ 63 - HG2 MET 126 2.381% * 0.0343% (0.20 1.00 0.02 0.02) = 0.034% HB3 GLU- 54 - HG2 MET 126 2.381% * 0.0325% (0.19 1.00 0.02 0.02) = 0.033% HG2 PRO 112 - HG3 MET 126 2.381% * 0.0295% (0.17 1.00 0.02 0.02) = 0.029% HB3 GLN 16 - HG3 MET 126 2.381% * 0.0295% (0.17 1.00 0.02 0.02) = 0.029% HB3 MET 118 - HG2 MET 126 2.381% * 0.0287% (0.17 1.00 0.02 0.02) = 0.029% HB3 PRO 35 - HG2 MET 126 2.381% * 0.0263% (0.15 1.00 0.02 0.02) = 0.026% HB ILE 29 - HG2 MET 126 2.381% * 0.0209% (0.12 1.00 0.02 0.02) = 0.021% HB3 CYS 123 - HG2 MET 126 2.381% * 0.0209% (0.12 1.00 0.02 0.02) = 0.021% HD3 LYS+ 63 - HB2 LYS+ 113 2.381% * 0.0190% (0.11 1.00 0.02 0.02) = 0.019% HB2 GLU- 10 - HG3 MET 126 2.381% * 0.0186% (0.11 1.00 0.02 0.02) = 0.019% HB3 GLU- 54 - HB2 LYS+ 113 2.381% * 0.0180% (0.10 1.00 0.02 0.02) = 0.018% HB2 LEU 23 - HB2 LYS+ 113 2.381% * 0.0165% (0.10 1.00 0.02 0.68) = 0.017% HB3 MET 118 - HB2 LYS+ 113 2.381% * 0.0159% (0.09 1.00 0.02 0.02) = 0.016% HB3 PRO 35 - HB2 LYS+ 113 2.381% * 0.0145% (0.08 1.00 0.02 0.02) = 0.015% HB2 PRO 116 - HG2 MET 126 2.381% * 0.0117% (0.07 1.00 0.02 0.02) = 0.012% HB ILE 29 - HB2 LYS+ 113 2.381% * 0.0115% (0.07 1.00 0.02 0.02) = 0.012% HB3 CYS 123 - HB2 LYS+ 113 2.381% * 0.0115% (0.07 1.00 0.02 0.02) = 0.012% HB3 GLN 16 - HG2 MET 126 2.381% * 0.0096% (0.06 1.00 0.02 0.02) = 0.010% HG2 PRO 112 - HG2 MET 126 2.381% * 0.0096% (0.06 1.00 0.02 0.02) = 0.010% HB2 PRO 116 - HB2 LYS+ 113 2.381% * 0.0065% (0.04 1.00 0.02 0.02) = 0.006% HB2 GLU- 10 - HG2 MET 126 2.381% * 0.0060% (0.04 1.00 0.02 0.02) = 0.006% HB3 GLN 16 - HB2 LYS+ 113 2.381% * 0.0053% (0.03 1.00 0.02 0.02) = 0.005% HG2 PRO 112 - HB2 LYS+ 113 2.381% * 0.0053% (0.03 1.00 0.02 8.67) = 0.005% HB2 GLU- 10 - HB2 LYS+ 113 2.381% * 0.0033% (0.02 1.00 0.02 0.02) = 0.003% 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 = 0.213, support = 3.01, residual support = 18.8: O HN LYS+ 108 - HB3 LYS+ 108 2.381% * 87.5462% (0.21 10.0 3.22 21.13) = 87.546% kept HN GLU- 109 - HB3 LYS+ 108 2.381% * 10.1168% (0.26 1.0 1.93 3.41) = 10.117% kept HN GLU- 109 - HB3 LYS+ 44 2.381% * 0.3338% (0.82 1.0 0.02 0.02) = 0.334% HN LYS+ 108 - HB3 LYS+ 44 2.381% * 0.2788% (0.68 1.0 0.02 0.02) = 0.279% HN GLU- 50 - HB3 LYS+ 44 2.381% * 0.2159% (0.53 1.0 0.02 0.25) = 0.216% HN ALA 103 - HB3 LYS+ 44 2.381% * 0.1890% (0.46 1.0 0.02 0.02) = 0.189% HN GLY 71 - HB3 LYS+ 44 2.381% * 0.1756% (0.43 1.0 0.02 0.14) = 0.176% HN GLU- 109 - HB3 LYS+ 113 2.381% * 0.0751% (0.18 1.0 0.02 0.02) = 0.075% HN GLY 114 - HB3 LYS+ 44 2.381% * 0.0743% (0.18 1.0 0.02 0.02) = 0.074% HN GLU- 50 - HB3 LYS+ 108 2.381% * 0.0678% (0.17 1.0 0.02 0.02) = 0.068% HN LYS+ 108 - HB3 LYS+ 113 2.381% * 0.0628% (0.15 1.0 0.02 0.02) = 0.063% HN ALA 103 - HB3 LYS+ 108 2.381% * 0.0593% (0.15 1.0 0.02 0.02) = 0.059% HN GLU- 109 - HB2 LYS+ 117 2.381% * 0.0553% (0.14 1.0 0.02 0.02) = 0.055% HN GLU- 109 - HB3 LYS+ 117 2.381% * 0.0553% (0.14 1.0 0.02 0.02) = 0.055% HN GLY 71 - HB3 LYS+ 108 2.381% * 0.0551% (0.13 1.0 0.02 0.02) = 0.055% HN ASN 76 - HB3 LYS+ 44 2.381% * 0.0515% (0.13 1.0 0.02 0.02) = 0.051% HN GLU- 50 - HB3 LYS+ 113 2.381% * 0.0486% (0.12 1.0 0.02 0.02) = 0.049% HN LYS+ 108 - HB2 LYS+ 117 2.381% * 0.0462% (0.11 1.0 0.02 0.12) = 0.046% HN LYS+ 108 - HB3 LYS+ 117 2.381% * 0.0462% (0.11 1.0 0.02 0.12) = 0.046% HN ALA 103 - HB3 LYS+ 113 2.381% * 0.0425% (0.10 1.0 0.02 0.02) = 0.043% HN GLY 71 - HB3 LYS+ 113 2.381% * 0.0395% (0.10 1.0 0.02 0.02) = 0.040% HN GLU- 50 - HB2 LYS+ 117 2.381% * 0.0358% (0.09 1.0 0.02 0.02) = 0.036% HN GLU- 50 - HB3 LYS+ 117 2.381% * 0.0358% (0.09 1.0 0.02 0.02) = 0.036% HN ALA 103 - HB2 LYS+ 117 2.381% * 0.0313% (0.08 1.0 0.02 0.02) = 0.031% HN ALA 103 - HB3 LYS+ 117 2.381% * 0.0313% (0.08 1.0 0.02 0.02) = 0.031% HN GLY 71 - HB2 LYS+ 117 2.381% * 0.0291% (0.07 1.0 0.02 0.02) = 0.029% HN GLY 71 - HB3 LYS+ 117 2.381% * 0.0291% (0.07 1.0 0.02 0.02) = 0.029% HN GLY 114 - HB3 LYS+ 108 2.381% * 0.0233% (0.06 1.0 0.02 0.12) = 0.023% HN GLY 114 - HB3 LYS+ 113 2.381% * 0.0167% (0.04 1.0 0.02 1.10) = 0.017% HN ASN 76 - HB3 LYS+ 108 2.381% * 0.0162% (0.04 1.0 0.02 0.02) = 0.016% HN GLU- 109 - HB2 PRO 59 2.381% * 0.0159% (0.04 1.0 0.02 0.02) = 0.016% HN LYS+ 108 - HB2 PRO 59 2.381% * 0.0133% (0.03 1.0 0.02 0.02) = 0.013% HN GLY 114 - HB2 LYS+ 117 2.381% * 0.0123% (0.03 1.0 0.02 0.02) = 0.012% HN GLY 114 - HB3 LYS+ 117 2.381% * 0.0123% (0.03 1.0 0.02 0.02) = 0.012% HN ASN 76 - HB3 LYS+ 113 2.381% * 0.0116% (0.03 1.0 0.02 0.02) = 0.012% HN GLU- 50 - HB2 PRO 59 2.381% * 0.0103% (0.03 1.0 0.02 0.02) = 0.010% HN ALA 103 - HB2 PRO 59 2.381% * 0.0090% (0.02 1.0 0.02 0.02) = 0.009% HN ASN 76 - HB2 LYS+ 117 2.381% * 0.0085% (0.02 1.0 0.02 0.02) = 0.009% HN ASN 76 - HB3 LYS+ 117 2.381% * 0.0085% (0.02 1.0 0.02 0.02) = 0.009% HN GLY 71 - HB2 PRO 59 2.381% * 0.0083% (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) = 0.004% 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): 10 chemical-shift based assignments, quality = 0.0438, support = 2.23, residual support = 9.01: O HN HIS+ 8 - HB2 HIS+ 8 10.000% * 90.2217% (0.04 10.0 2.32 9.50) = 90.222% kept HN LEU 9 - HB2 HIS+ 8 10.000% * 4.6663% (0.02 1.0 2.26 2.22) = 4.666% kept HN HIS+ 7 - HB2 HIS+ 8 10.000% * 4.5396% (0.07 1.0 0.63 7.48) = 4.540% kept HN ASN 89 - HB2 HIS+ 8 10.000% * 0.1373% (0.07 1.0 0.02 0.02) = 0.137% HN GLN 16 - HB2 HIS+ 8 10.000% * 0.1334% (0.07 1.0 0.02 0.02) = 0.133% HN ASP- 115 - HB2 HIS+ 8 10.000% * 0.0902% (0.04 1.0 0.02 0.02) = 0.090% HN ASP- 28 - HB2 HIS+ 8 10.000% * 0.0842% (0.04 1.0 0.02 0.02) = 0.084% HN THR 106 - HB2 HIS+ 8 10.000% * 0.0783% (0.04 1.0 0.02 0.02) = 0.078% HN ALA 91 - HB2 HIS+ 8 10.000% * 0.0261% (0.01 1.0 0.02 0.02) = 0.026% HN GLU- 12 - HB2 HIS+ 8 10.000% * 0.0230% (0.01 1.0 0.02 0.02) = 0.023% Peak 1961 (8.24, 2.03, 33.03 ppm): 42 chemical-shift based assignments, quality = 0.155, support = 2.42, residual support = 9.92: O HN VAL 105 - HB VAL 105 2.381% * 64.3923% (0.15 10.0 2.68 12.27) = 64.392% kept HN THR 106 - HB VAL 105 2.381% * 12.4464% (0.19 1.0 3.02 8.23) = 12.446% kept HN GLU- 45 - HB2 LYS+ 44 2.381% * 8.5858% (0.12 1.0 3.17 11.32) = 8.586% kept HN ALA 11 - HB2 LYS+ 44 2.381% * 3.2372% (0.15 1.0 0.96 0.67) = 3.237% kept HN THR 106 - HB3 LYS+ 110 2.381% * 3.0709% (0.44 1.0 0.32 0.02) = 3.071% kept HN VAL 105 - HB3 LYS+ 110 2.381% * 2.3510% (0.34 1.0 0.31 0.02) = 2.351% kept HN MET 118 - HB3 LYS+ 110 2.381% * 0.3639% (0.83 1.0 0.02 0.14) = 0.364% HN GLY 58 - HB3 LYS+ 110 2.381% * 0.3639% (0.83 1.0 0.02 0.02) = 0.364% HN LYS+ 81 - HB3 LYS+ 110 2.381% * 0.3615% (0.82 1.0 0.02 0.02) = 0.361% HN LEU 67 - HB3 LYS+ 110 2.381% * 0.3615% (0.82 1.0 0.02 0.02) = 0.361% HN GLU- 12 - HB3 LYS+ 110 2.381% * 0.3450% (0.79 1.0 0.02 0.02) = 0.345% HN SER 49 - HB3 LYS+ 110 2.381% * 0.3450% (0.79 1.0 0.02 0.02) = 0.345% HN MET 118 - HB2 LYS+ 44 2.381% * 0.2426% (0.55 1.0 0.02 0.02) = 0.243% HN GLY 58 - HB2 LYS+ 44 2.381% * 0.2426% (0.55 1.0 0.02 3.29) = 0.243% HN LYS+ 81 - HB2 LYS+ 44 2.381% * 0.2410% (0.55 1.0 0.02 0.02) = 0.241% HN LEU 67 - HB2 LYS+ 44 2.381% * 0.2410% (0.55 1.0 0.02 0.02) = 0.241% HN GLU- 12 - HB2 LYS+ 44 2.381% * 0.2300% (0.52 1.0 0.02 0.02) = 0.230% HN SER 49 - HB2 LYS+ 44 2.381% * 0.2300% (0.52 1.0 0.02 0.02) = 0.230% HN ASP- 115 - HB3 LYS+ 110 2.381% * 0.1635% (0.37 1.0 0.02 0.02) = 0.164% HN VAL 94 - HB3 LYS+ 110 2.381% * 0.1635% (0.37 1.0 0.02 0.02) = 0.164% HN MET 118 - HB VAL 105 2.381% * 0.1563% (0.36 1.0 0.02 0.02) = 0.156% HN GLY 58 - HB VAL 105 2.381% * 0.1563% (0.36 1.0 0.02 0.26) = 0.156% HN LYS+ 81 - HB VAL 105 2.381% * 0.1552% (0.35 1.0 0.02 0.02) = 0.155% HN LEU 67 - HB VAL 105 2.381% * 0.1552% (0.35 1.0 0.02 0.02) = 0.155% HN GLU- 12 - HB VAL 105 2.381% * 0.1482% (0.34 1.0 0.02 0.02) = 0.148% HN SER 49 - HB VAL 105 2.381% * 0.1482% (0.34 1.0 0.02 0.02) = 0.148% HN THR 106 - HB2 LYS+ 44 2.381% * 0.1279% (0.29 1.0 0.02 0.02) = 0.128% HN ASP- 115 - HB2 LYS+ 44 2.381% * 0.1090% (0.25 1.0 0.02 0.02) = 0.109% HN VAL 94 - HB2 LYS+ 44 2.381% * 0.1090% (0.25 1.0 0.02 0.02) = 0.109% HN ALA 11 - HB3 LYS+ 110 2.381% * 0.1014% (0.23 1.0 0.02 0.02) = 0.101% HN VAL 105 - HB2 LYS+ 44 2.381% * 0.1000% (0.23 1.0 0.02 0.02) = 0.100% HN GLU- 45 - HB3 LYS+ 110 2.381% * 0.0812% (0.18 1.0 0.02 0.02) = 0.081% HN GLN 16 - HB3 LYS+ 110 2.381% * 0.0722% (0.16 1.0 0.02 0.02) = 0.072% HN ASP- 115 - HB VAL 105 2.381% * 0.0702% (0.16 1.0 0.02 0.02) = 0.070% HN VAL 94 - HB VAL 105 2.381% * 0.0702% (0.16 1.0 0.02 0.82) = 0.070% HN HIS+ 7 - HB3 LYS+ 110 2.381% * 0.0494% (0.11 1.0 0.02 0.02) = 0.049% HN GLN 16 - HB2 LYS+ 44 2.381% * 0.0481% (0.11 1.0 0.02 0.02) = 0.048% HN ALA 11 - HB VAL 105 2.381% * 0.0435% (0.10 1.0 0.02 0.02) = 0.044% HN GLU- 45 - HB VAL 105 2.381% * 0.0349% (0.08 1.0 0.02 0.02) = 0.035% HN HIS+ 7 - HB2 LYS+ 44 2.381% * 0.0329% (0.07 1.0 0.02 0.02) = 0.033% HN GLN 16 - HB VAL 105 2.381% * 0.0310% (0.07 1.0 0.02 0.02) = 0.031% HN HIS+ 7 - HB VAL 105 2.381% * 0.0212% (0.05 1.0 0.02 0.02) = 0.021% Peak 1963 (4.26, 1.79, 33.17 ppm): 54 chemical-shift based assignments, quality = 0.294, support = 2.15, residual support = 16.1: O HA LYS+ 108 - HB3 LYS+ 108 1.852% * 76.0883% (0.23 10.0 2.59 21.13) = 76.088% kept HA ASN 89 - HB3 LYS+ 44 1.852% * 13.3124% (0.78 1.0 1.03 0.17) = 13.312% kept HA VAL 73 - HB3 LYS+ 108 1.852% * 3.5048% (0.22 1.0 0.97 0.50) = 3.505% kept HA ASN 89 - HB3 LYS+ 108 1.852% * 1.7343% (0.34 1.0 0.31 0.02) = 1.734% kept HA GLU- 75 - HB3 LYS+ 44 1.852% * 0.2873% (0.87 1.0 0.02 0.02) = 0.287% HA GLU- 56 - HB3 LYS+ 44 1.852% * 0.2724% (0.83 1.0 0.02 0.02) = 0.272% HA2 GLY 114 - HB3 LYS+ 44 1.852% * 0.2498% (0.76 1.0 0.02 0.02) = 0.250% HA ARG+ 84 - HB3 LYS+ 44 1.852% * 0.2405% (0.73 1.0 0.02 0.02) = 0.241% HA VAL 65 - HB3 LYS+ 44 1.852% * 0.2306% (0.70 1.0 0.02 0.02) = 0.231% HA HIS+ 4 - HB3 LYS+ 44 1.852% * 0.2201% (0.67 1.0 0.02 0.02) = 0.220% HA SER 85 - HB3 LYS+ 44 1.852% * 0.2091% (0.63 1.0 0.02 0.02) = 0.209% HD3 PRO 59 - HB3 LYS+ 44 1.852% * 0.2091% (0.63 1.0 0.02 0.02) = 0.209% HA PRO 52 - HB3 LYS+ 44 1.852% * 0.2091% (0.63 1.0 0.02 0.02) = 0.209% HA ALA 91 - HB3 LYS+ 44 1.852% * 0.1978% (0.60 1.0 0.02 0.02) = 0.198% HA LYS+ 108 - HB3 LYS+ 44 1.852% * 0.1746% (0.53 1.0 0.02 0.02) = 0.175% HA VAL 73 - HB3 LYS+ 44 1.852% * 0.1651% (0.50 1.0 0.02 0.23) = 0.165% HA PRO 59 - HB3 LYS+ 44 1.852% * 0.1630% (0.49 1.0 0.02 0.02) = 0.163% HA GLU- 75 - HB3 LYS+ 108 1.852% * 0.1252% (0.38 1.0 0.02 0.02) = 0.125% HA GLU- 56 - HB3 LYS+ 108 1.852% * 0.1187% (0.36 1.0 0.02 0.02) = 0.119% HA2 GLY 114 - HB3 LYS+ 108 1.852% * 0.1088% (0.33 1.0 0.02 0.12) = 0.109% HA ARG+ 84 - HB3 LYS+ 108 1.852% * 0.1048% (0.32 1.0 0.02 0.02) = 0.105% HA VAL 65 - HB3 LYS+ 108 1.852% * 0.1005% (0.30 1.0 0.02 0.02) = 0.100% HA HIS+ 4 - HB3 LYS+ 108 1.852% * 0.0959% (0.29 1.0 0.02 0.02) = 0.096% HA GLU- 75 - HB3 LYS+ 113 1.852% * 0.0955% (0.29 1.0 0.02 0.02) = 0.095% HA SER 85 - HB3 LYS+ 108 1.852% * 0.0911% (0.28 1.0 0.02 0.02) = 0.091% HD3 PRO 59 - HB3 LYS+ 108 1.852% * 0.0911% (0.28 1.0 0.02 0.02) = 0.091% HA PRO 52 - HB3 LYS+ 108 1.852% * 0.0911% (0.28 1.0 0.02 0.02) = 0.091% HA GLU- 56 - HB3 LYS+ 113 1.852% * 0.0905% (0.27 1.0 0.02 0.02) = 0.091% HA ALA 91 - HB3 LYS+ 108 1.852% * 0.0862% (0.26 1.0 0.02 0.02) = 0.086% HA ASN 89 - HB3 LYS+ 113 1.852% * 0.0859% (0.26 1.0 0.02 0.63) = 0.086% HA2 GLY 114 - HB3 LYS+ 113 1.852% * 0.0830% (0.25 1.0 0.02 1.10) = 0.083% HA ARG+ 84 - HB3 LYS+ 113 1.852% * 0.0799% (0.24 1.0 0.02 0.02) = 0.080% HA VAL 65 - HB3 LYS+ 113 1.852% * 0.0766% (0.23 1.0 0.02 0.02) = 0.077% HA HIS+ 4 - HB3 LYS+ 113 1.852% * 0.0731% (0.22 1.0 0.02 0.02) = 0.073% HA THR 106 - HB3 LYS+ 44 1.852% * 0.0718% (0.22 1.0 0.02 0.02) = 0.072% HA HIS+ 8 - HB3 LYS+ 44 1.852% * 0.0718% (0.22 1.0 0.02 0.02) = 0.072% HA PRO 59 - HB3 LYS+ 108 1.852% * 0.0710% (0.22 1.0 0.02 0.02) = 0.071% HA PRO 52 - HB3 LYS+ 113 1.852% * 0.0695% (0.21 1.0 0.02 0.02) = 0.070% HD3 PRO 59 - HB3 LYS+ 113 1.852% * 0.0695% (0.21 1.0 0.02 0.02) = 0.070% HA SER 85 - HB3 LYS+ 113 1.852% * 0.0695% (0.21 1.0 0.02 0.02) = 0.070% HA ALA 91 - HB3 LYS+ 113 1.852% * 0.0657% (0.20 1.0 0.02 0.02) = 0.066% HA LYS+ 108 - HB3 LYS+ 113 1.852% * 0.0581% (0.18 1.0 0.02 0.02) = 0.058% HA VAL 73 - HB3 LYS+ 113 1.852% * 0.0549% (0.17 1.0 0.02 0.24) = 0.055% HA PRO 59 - HB3 LYS+ 113 1.852% * 0.0542% (0.16 1.0 0.02 0.02) = 0.054% HA GLU- 54 - HB3 LYS+ 44 1.852% * 0.0504% (0.15 1.0 0.02 0.02) = 0.050% HA LEU 90 - HB3 LYS+ 44 1.852% * 0.0444% (0.13 1.0 0.02 0.02) = 0.044% HA THR 106 - HB3 LYS+ 108 1.852% * 0.0313% (0.09 1.0 0.02 0.26) = 0.031% HA HIS+ 8 - HB3 LYS+ 108 1.852% * 0.0313% (0.09 1.0 0.02 0.02) = 0.031% HA THR 106 - HB3 LYS+ 113 1.852% * 0.0239% (0.07 1.0 0.02 0.02) = 0.024% HA HIS+ 8 - HB3 LYS+ 113 1.852% * 0.0239% (0.07 1.0 0.02 0.02) = 0.024% HA GLU- 54 - HB3 LYS+ 108 1.852% * 0.0220% (0.07 1.0 0.02 0.02) = 0.022% HA LEU 90 - HB3 LYS+ 108 1.852% * 0.0194% (0.06 1.0 0.02 0.02) = 0.019% HA GLU- 54 - HB3 LYS+ 113 1.852% * 0.0168% (0.05 1.0 0.02 0.02) = 0.017% HA LEU 90 - HB3 LYS+ 113 1.852% * 0.0148% (0.04 1.0 0.02 0.02) = 0.015% Peak 1965 (4.12, 2.03, 33.02 ppm): 30 chemical-shift based assignments, quality = 0.278, support = 1.57, residual support = 7.59: O HA LYS+ 44 - HB2 LYS+ 44 3.333% * 38.9017% (0.28 10.0 1.00 1.58 11.43) = 38.902% kept T HB2 SER 88 - HB3 LYS+ 110 3.333% * 22.1858% (0.39 1.0 10.00 0.64 0.66) = 22.186% kept O HA VAL 105 - HB VAL 105 3.333% * 21.0638% (0.12 10.0 1.00 2.83 12.27) = 21.064% kept HA ASN 89 - HB VAL 105 3.333% * 5.3517% (0.29 1.0 1.00 2.11 2.35) = 5.352% kept HA ASN 89 - HB2 LYS+ 44 3.333% * 4.4917% (0.50 1.0 1.00 1.03 0.17) = 4.492% kept HB THR 106 - HB VAL 105 3.333% * 3.3484% (0.26 1.0 1.00 1.46 8.23) = 3.348% kept HA ASN 89 - HB3 LYS+ 110 3.333% * 1.1734% (0.87 1.0 1.00 0.15 0.02) = 1.173% kept HB THR 106 - HB3 LYS+ 110 3.333% * 0.6842% (0.79 1.0 1.00 0.10 0.02) = 0.684% T HA VAL 105 - HB3 LYS+ 110 3.333% * 0.6325% (0.36 1.0 10.00 0.02 0.02) = 0.633% T HB2 SER 88 - HB2 LYS+ 44 3.333% * 0.3955% (0.23 1.0 10.00 0.02 0.21) = 0.395% T HA VAL 105 - HB2 LYS+ 44 3.333% * 0.3626% (0.21 1.0 10.00 0.02 0.02) = 0.363% T HB2 SER 88 - HB VAL 105 3.333% * 0.2297% (0.13 1.0 10.00 0.02 0.02) = 0.230% HA ARG+ 53 - HB3 LYS+ 110 3.333% * 0.1485% (0.85 1.0 1.00 0.02 0.02) = 0.148% HD2 PRO 59 - HB3 LYS+ 110 3.333% * 0.1335% (0.76 1.0 1.00 0.02 0.02) = 0.133% HA2 GLY 71 - HB3 LYS+ 110 3.333% * 0.1057% (0.60 1.0 1.00 0.02 0.02) = 0.106% HA THR 46 - HB3 LYS+ 110 3.333% * 0.1057% (0.60 1.0 1.00 0.02 0.02) = 0.106% HA LYS+ 44 - HB3 LYS+ 110 3.333% * 0.0857% (0.49 1.0 1.00 0.02 0.02) = 0.086% HA ARG+ 53 - HB2 LYS+ 44 3.333% * 0.0851% (0.49 1.0 1.00 0.02 0.02) = 0.085% HB THR 106 - HB2 LYS+ 44 3.333% * 0.0791% (0.45 1.0 1.00 0.02 0.02) = 0.079% HD2 PRO 59 - HB2 LYS+ 44 3.333% * 0.0765% (0.44 1.0 1.00 0.02 0.02) = 0.077% HA THR 46 - HB2 LYS+ 44 3.333% * 0.0606% (0.35 1.0 1.00 0.02 0.17) = 0.061% HA2 GLY 71 - HB2 LYS+ 44 3.333% * 0.0606% (0.35 1.0 1.00 0.02 0.14) = 0.061% HA ARG+ 53 - HB VAL 105 3.333% * 0.0494% (0.28 1.0 1.00 0.02 0.02) = 0.049% HD2 PRO 59 - HB VAL 105 3.333% * 0.0444% (0.25 1.0 1.00 0.02 0.02) = 0.044% HA2 GLY 71 - HB VAL 105 3.333% * 0.0352% (0.20 1.0 1.00 0.02 0.02) = 0.035% HA THR 46 - HB VAL 105 3.333% * 0.0352% (0.20 1.0 1.00 0.02 0.02) = 0.035% HA LYS+ 44 - HB VAL 105 3.333% * 0.0285% (0.16 1.0 1.00 0.02 0.02) = 0.029% HA ALA 70 - HB3 LYS+ 110 3.333% * 0.0237% (0.14 1.0 1.00 0.02 0.02) = 0.024% HA ALA 70 - HB2 LYS+ 44 3.333% * 0.0136% (0.08 1.0 1.00 0.02 0.02) = 0.014% HA ALA 70 - HB VAL 105 3.333% * 0.0079% (0.05 1.0 1.00 0.02 0.02) = 0.008% 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): 36 chemical-shift based assignments, quality = 0.368, support = 1.4, residual support = 7.4: O HG2 LYS+ 110 - HB3 LYS+ 110 2.778% * 56.2021% (0.30 10.0 1.00 2.00 9.07) = 56.202% kept O HG3 LYS+ 110 - HB3 LYS+ 110 2.778% * 25.3141% (0.27 10.0 1.00 1.00 9.07) = 25.314% kept T HG12 ILE 101 - HB3 LYS+ 110 2.778% * 13.9242% (0.89 1.0 10.00 0.17 0.02) = 13.924% kept T HG12 ILE 101 - HB2 LYS+ 44 2.778% * 2.5335% (0.28 1.0 10.00 0.10 0.02) = 2.534% kept T HG3 ARG+ 84 - HB3 LYS+ 110 2.778% * 0.4540% (0.24 1.0 10.00 0.02 0.02) = 0.454% HG LEU 23 - HB3 LYS+ 110 2.778% * 0.1757% (0.93 1.0 1.00 0.02 0.02) = 0.176% HB2 LEU 67 - HB3 LYS+ 110 2.778% * 0.1681% (0.89 1.0 1.00 0.02 0.02) = 0.168% HB ILE 100 - HB3 LYS+ 110 2.778% * 0.1681% (0.89 1.0 1.00 0.02 0.02) = 0.168% T HG3 ARG+ 84 - HB2 LYS+ 44 2.778% * 0.1429% (0.08 1.0 10.00 0.02 0.02) = 0.143% HG3 LYS+ 78 - HB3 LYS+ 110 2.778% * 0.1178% (0.63 1.0 1.00 0.02 0.02) = 0.118% HB3 ARG+ 22 - HB3 LYS+ 110 2.778% * 0.0958% (0.51 1.0 1.00 0.02 0.02) = 0.096% HB3 MET 97 - HB3 LYS+ 110 2.778% * 0.0816% (0.43 1.0 1.00 0.02 0.02) = 0.082% HG LEU 23 - HB2 LYS+ 44 2.778% * 0.0553% (0.29 1.0 1.00 0.02 0.02) = 0.055% HB ILE 100 - HB2 LYS+ 44 2.778% * 0.0529% (0.28 1.0 1.00 0.02 0.02) = 0.053% HB2 LEU 67 - HB2 LYS+ 44 2.778% * 0.0529% (0.28 1.0 1.00 0.02 0.02) = 0.053% HB2 HIS+ 8 - HB3 LYS+ 110 2.778% * 0.0454% (0.24 1.0 1.00 0.02 0.02) = 0.045% HG3 LYS+ 78 - HB2 LYS+ 44 2.778% * 0.0371% (0.20 1.0 1.00 0.02 0.02) = 0.037% HG LEU 23 - HB VAL 105 2.778% * 0.0340% (0.18 1.0 1.00 0.02 0.02) = 0.034% HB2 LEU 67 - HB VAL 105 2.778% * 0.0325% (0.17 1.0 1.00 0.02 0.02) = 0.032% HG12 ILE 101 - HB VAL 105 2.778% * 0.0325% (0.17 1.0 1.00 0.02 0.02) = 0.032% HB ILE 100 - HB VAL 105 2.778% * 0.0325% (0.17 1.0 1.00 0.02 0.02) = 0.032% HB3 LEU 17 - HB3 LYS+ 110 2.778% * 0.0319% (0.17 1.0 1.00 0.02 0.02) = 0.032% HB3 ARG+ 22 - HB2 LYS+ 44 2.778% * 0.0301% (0.16 1.0 1.00 0.02 0.02) = 0.030% HB3 MET 97 - HB2 LYS+ 44 2.778% * 0.0257% (0.14 1.0 1.00 0.02 0.02) = 0.026% HG3 LYS+ 78 - HB VAL 105 2.778% * 0.0228% (0.12 1.0 1.00 0.02 0.02) = 0.023% HB3 ARG+ 22 - HB VAL 105 2.778% * 0.0185% (0.10 1.0 1.00 0.02 0.02) = 0.019% HG2 LYS+ 110 - HB2 LYS+ 44 2.778% * 0.0177% (0.09 1.0 1.00 0.02 0.02) = 0.018% HG3 LYS+ 110 - HB2 LYS+ 44 2.778% * 0.0159% (0.08 1.0 1.00 0.02 0.02) = 0.016% HB3 MET 97 - HB VAL 105 2.778% * 0.0158% (0.08 1.0 1.00 0.02 0.02) = 0.016% HB2 HIS+ 8 - HB2 LYS+ 44 2.778% * 0.0143% (0.08 1.0 1.00 0.02 0.02) = 0.014% HG2 LYS+ 110 - HB VAL 105 2.778% * 0.0109% (0.06 1.0 1.00 0.02 0.02) = 0.011% HB3 LEU 17 - HB2 LYS+ 44 2.778% * 0.0100% (0.05 1.0 1.00 0.02 0.02) = 0.010% HG3 LYS+ 110 - HB VAL 105 2.778% * 0.0098% (0.05 1.0 1.00 0.02 0.02) = 0.010% HG3 ARG+ 84 - HB VAL 105 2.778% * 0.0088% (0.05 1.0 1.00 0.02 0.02) = 0.009% HB2 HIS+ 8 - HB VAL 105 2.778% * 0.0088% (0.05 1.0 1.00 0.02 0.02) = 0.009% HB3 LEU 17 - HB VAL 105 2.778% * 0.0062% (0.03 1.0 1.00 0.02 0.02) = 0.006% Peak 1997 (0.92, 2.03, 32.99 ppm): 45 chemical-shift based assignments, quality = 0.203, support = 1.53, residual support = 8.07: O QG2 VAL 105 - HB VAL 105 2.222% * 39.0143% (0.12 10.0 2.29 12.27) = 39.014% kept O QG1 VAL 105 - HB VAL 105 2.222% * 24.3171% (0.10 10.0 1.57 12.27) = 24.317% kept HG LEU 74 - HB3 LYS+ 110 2.222% * 6.9130% (0.58 1.0 0.74 0.58) = 6.913% kept HG LEU 74 - HB2 LYS+ 44 2.222% * 5.4571% (0.24 1.0 1.43 3.69) = 5.457% kept HG LEU 74 - HB VAL 105 2.222% * 3.4236% (0.13 1.0 1.64 0.62) = 3.424% kept QG2 VAL 87 - HB2 LYS+ 44 2.222% * 3.2967% (0.28 1.0 0.72 0.32) = 3.297% kept QG2 VAL 87 - HB3 LYS+ 110 2.222% * 2.9642% (0.69 1.0 0.26 0.02) = 2.964% kept QG2 VAL 105 - HB3 LYS+ 110 2.222% * 2.7378% (0.54 1.0 0.31 0.02) = 2.738% kept QG2 VAL 73 - HB2 LYS+ 44 2.222% * 2.2298% (0.38 1.0 0.37 0.23) = 2.230% kept QG1 VAL 105 - HB3 LYS+ 110 2.222% * 2.1680% (0.43 1.0 0.31 0.02) = 2.168% kept HG13 ILE 68 - HB2 LYS+ 44 2.222% * 1.8816% (0.30 1.0 0.39 0.72) = 1.882% kept QD1 LEU 67 - HB2 LYS+ 44 2.222% * 1.7962% (0.27 1.0 0.41 0.02) = 1.796% kept QG2 VAL 105 - HB2 LYS+ 44 2.222% * 1.3195% (0.22 1.0 0.37 0.02) = 1.319% kept QG2 VAL 73 - HB3 LYS+ 110 2.222% * 0.2976% (0.92 1.0 0.02 0.02) = 0.298% QG2 VAL 99 - HB3 LYS+ 110 2.222% * 0.2917% (0.90 1.0 0.02 0.02) = 0.292% HG13 ILE 68 - HB3 LYS+ 110 2.222% * 0.2357% (0.73 1.0 0.02 0.02) = 0.236% QD1 LEU 67 - HB3 LYS+ 110 2.222% * 0.2118% (0.65 1.0 0.02 0.02) = 0.212% QG1 VAL 47 - HB3 LYS+ 110 2.222% * 0.1871% (0.58 1.0 0.02 0.02) = 0.187% QD1 LEU 17 - HB3 LYS+ 110 2.222% * 0.1501% (0.46 1.0 0.02 0.02) = 0.150% QG2 VAL 99 - HB2 LYS+ 44 2.222% * 0.1193% (0.37 1.0 0.02 0.02) = 0.119% QG1 VAL 47 - HB2 LYS+ 44 2.222% * 0.0765% (0.24 1.0 0.02 0.02) = 0.077% QG1 VAL 80 - HB3 LYS+ 110 2.222% * 0.0687% (0.21 1.0 0.02 0.02) = 0.069% QG2 VAL 73 - HB VAL 105 2.222% * 0.0665% (0.21 1.0 0.02 1.61) = 0.067% QG2 VAL 99 - HB VAL 105 2.222% * 0.0652% (0.20 1.0 0.02 0.02) = 0.065% QD1 LEU 17 - HB2 LYS+ 44 2.222% * 0.0614% (0.19 1.0 0.02 0.02) = 0.061% HG12 ILE 29 - HB3 LYS+ 110 2.222% * 0.0610% (0.19 1.0 0.02 0.02) = 0.061% QG1 VAL 105 - HB2 LYS+ 44 2.222% * 0.0565% (0.17 1.0 0.02 0.02) = 0.057% QG2 VAL 62 - HB3 LYS+ 110 2.222% * 0.0540% (0.17 1.0 0.02 0.02) = 0.054% HG13 ILE 68 - HB VAL 105 2.222% * 0.0527% (0.16 1.0 0.02 0.02) = 0.053% QG2 VAL 87 - HB VAL 105 2.222% * 0.0500% (0.15 1.0 0.02 0.02) = 0.050% QD1 LEU 67 - HB VAL 105 2.222% * 0.0473% (0.15 1.0 0.02 0.02) = 0.047% QG1 VAL 47 - HB VAL 105 2.222% * 0.0418% (0.13 1.0 0.02 0.02) = 0.042% HG12 ILE 68 - HB3 LYS+ 110 2.222% * 0.0417% (0.13 1.0 0.02 0.02) = 0.042% QG2 ILE 29 - HB3 LYS+ 110 2.222% * 0.0417% (0.13 1.0 0.02 0.02) = 0.042% QD1 LEU 17 - HB VAL 105 2.222% * 0.0335% (0.10 1.0 0.02 0.02) = 0.034% QG1 VAL 80 - HB2 LYS+ 44 2.222% * 0.0281% (0.09 1.0 0.02 0.40) = 0.028% HG12 ILE 29 - HB2 LYS+ 44 2.222% * 0.0250% (0.08 1.0 0.02 0.02) = 0.025% QG2 VAL 62 - HB2 LYS+ 44 2.222% * 0.0221% (0.07 1.0 0.02 0.85) = 0.022% HG12 ILE 68 - HB2 LYS+ 44 2.222% * 0.0171% (0.05 1.0 0.02 0.72) = 0.017% QG2 ILE 29 - HB2 LYS+ 44 2.222% * 0.0171% (0.05 1.0 0.02 0.02) = 0.017% QG1 VAL 80 - HB VAL 105 2.222% * 0.0153% (0.05 1.0 0.02 0.02) = 0.015% HG12 ILE 29 - HB VAL 105 2.222% * 0.0136% (0.04 1.0 0.02 0.02) = 0.014% QG2 VAL 62 - HB VAL 105 2.222% * 0.0121% (0.04 1.0 0.02 0.02) = 0.012% HG12 ILE 68 - HB VAL 105 2.222% * 0.0093% (0.03 1.0 0.02 0.02) = 0.009% QG2 ILE 29 - HB VAL 105 2.222% * 0.0093% (0.03 1.0 0.02 0.02) = 0.009% Peak 1998 (8.07, 1.97, 32.89 ppm): 15 chemical-shift based assignments, quality = 0.41, support = 2.43, residual support = 13.6: O HN VAL 122 - HB VAL 122 6.667% * 62.8431% (0.26 10.0 2.37 17.64) = 62.843% kept HN CYS 121 - HB VAL 122 6.667% * 27.6118% (0.71 1.0 3.25 8.96) = 27.612% kept HN ASN 15 - HB VAL 13 6.667% * 4.0800% (0.38 1.0 0.90 0.37) = 4.080% kept HN HIS+ 5 - HB VAL 13 6.667% * 2.5848% (0.72 1.0 0.30 0.02) = 2.585% kept HN LYS+ 110 - HB VAL 13 6.667% * 1.9479% (0.67 1.0 0.24 0.02) = 1.948% kept HN HIS+ 5 - HB VAL 122 6.667% * 0.1826% (0.77 1.0 0.02 0.02) = 0.183% HN LYS+ 110 - HB VAL 122 6.667% * 0.1701% (0.71 1.0 0.02 0.02) = 0.170% HN CYS 121 - HB VAL 13 6.667% * 0.1595% (0.67 1.0 0.02 0.02) = 0.159% HN ASN 15 - HB VAL 122 6.667% * 0.0969% (0.41 1.0 0.02 0.02) = 0.097% HN HIS+ 5 - HB3 LYS+ 55 6.667% * 0.0707% (0.30 1.0 0.02 0.02) = 0.071% HN CYS 121 - HB3 LYS+ 55 6.667% * 0.0659% (0.28 1.0 0.02 0.02) = 0.066% HN LYS+ 110 - HB3 LYS+ 55 6.667% * 0.0659% (0.28 1.0 0.02 0.02) = 0.066% HN VAL 122 - HB VAL 13 6.667% * 0.0589% (0.25 1.0 0.02 0.02) = 0.059% HN ASN 15 - HB3 LYS+ 55 6.667% * 0.0375% (0.16 1.0 0.02 0.02) = 0.038% HN VAL 122 - HB3 LYS+ 55 6.667% * 0.0243% (0.10 1.0 0.02 0.02) = 0.024% 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): 32 chemical-shift based assignments, quality = 0.516, support = 0.237, residual support = 0.0183: HA ASN 89 - HB3 LYS+ 63 3.125% * 27.5133% (0.55 0.39 0.02) = 27.513% kept HA ASN 89 - HB3 LYS+ 117 3.125% * 26.2277% (0.50 0.40 0.02) = 26.228% kept HA ASN 89 - HB2 LYS+ 117 3.125% * 9.5715% (0.52 0.14 0.02) = 9.571% kept HA ASN 89 - HB3 PRO 116 3.125% * 4.7954% (0.23 0.16 0.02) = 4.795% kept HA LYS+ 78 - HB3 LYS+ 63 3.125% * 2.4658% (0.95 0.02 0.02) = 2.466% kept HA LYS+ 78 - HB2 LYS+ 117 3.125% * 2.3568% (0.91 0.02 0.02) = 2.357% kept HA GLU- 10 - HB3 LYS+ 63 3.125% * 2.2915% (0.88 0.02 0.02) = 2.291% kept HA LYS+ 78 - HB3 LYS+ 117 3.125% * 2.2643% (0.87 0.02 0.02) = 2.264% kept HA GLU- 10 - HB2 LYS+ 117 3.125% * 2.1901% (0.84 0.02 0.02) = 2.190% kept HA GLU- 10 - HB3 LYS+ 117 3.125% * 2.1042% (0.81 0.02 0.02) = 2.104% kept HA LEU 17 - HB3 LYS+ 63 3.125% * 1.5497% (0.60 0.02 0.02) = 1.550% kept HA LEU 17 - HB2 LYS+ 117 3.125% * 1.4812% (0.57 0.02 0.02) = 1.481% kept HA THR 79 - HB3 LYS+ 63 3.125% * 1.4466% (0.56 0.02 0.02) = 1.447% kept HA LEU 17 - HB3 LYS+ 117 3.125% * 1.4231% (0.55 0.02 0.02) = 1.423% kept HA THR 79 - HB2 LYS+ 117 3.125% * 1.3826% (0.53 0.02 0.02) = 1.383% kept HA THR 79 - HB3 LYS+ 117 3.125% * 1.3284% (0.51 0.02 0.02) = 1.328% kept HA LYS+ 78 - HB3 PRO 116 3.125% * 1.0181% (0.39 0.02 0.02) = 1.018% kept HA GLU- 10 - HB3 PRO 116 3.125% * 0.9461% (0.36 0.02 0.02) = 0.946% HA VAL 73 - HB3 LYS+ 63 3.125% * 0.6748% (0.26 0.02 0.02) = 0.675% HA VAL 73 - HB2 LYS+ 117 3.125% * 0.6449% (0.25 0.02 0.02) = 0.645% HA LEU 17 - HB3 PRO 116 3.125% * 0.6399% (0.25 0.02 0.02) = 0.640% HA LYS+ 55 - HB3 LYS+ 63 3.125% * 0.6371% (0.24 0.02 0.02) = 0.637% HB THR 46 - HB3 LYS+ 63 3.125% * 0.6371% (0.24 0.02 0.02) = 0.637% HA VAL 73 - HB3 LYS+ 117 3.125% * 0.6196% (0.24 0.02 0.02) = 0.620% HB THR 46 - HB2 LYS+ 117 3.125% * 0.6089% (0.23 0.02 0.02) = 0.609% HA LYS+ 55 - HB2 LYS+ 117 3.125% * 0.6089% (0.23 0.02 0.02) = 0.609% HA THR 79 - HB3 PRO 116 3.125% * 0.5973% (0.23 0.02 0.02) = 0.597% HB THR 46 - HB3 LYS+ 117 3.125% * 0.5851% (0.22 0.02 0.02) = 0.585% HA LYS+ 55 - HB3 LYS+ 117 3.125% * 0.5851% (0.22 0.02 0.02) = 0.585% HA VAL 73 - HB3 PRO 116 3.125% * 0.2786% (0.11 0.02 0.02) = 0.279% HB THR 46 - HB3 PRO 116 3.125% * 0.2631% (0.10 0.02 0.02) = 0.263% HA LYS+ 55 - HB3 PRO 116 3.125% * 0.2631% (0.10 0.02 0.02) = 0.263% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 2001 (4.00, 1.96, 32.85 ppm): 32 chemical-shift based assignments, quality = 0.58, support = 0.532, residual support = 0.434: HA ASN 89 - HB VAL 13 3.125% * 41.7790% (0.70 1.00 1.01 1.02) = 41.779% kept HB THR 39 - HB VAL 13 3.125% * 17.2086% (0.65 1.00 0.45 0.02) = 17.209% kept T HA LYS+ 44 - HB VAL 122 3.125% * 8.6491% (0.73 10.00 0.02 0.02) = 8.649% kept T HA LYS+ 44 - HB VAL 13 3.125% * 8.2381% (0.70 10.00 0.02 0.02) = 8.238% kept HB THR 38 - HB VAL 13 3.125% * 8.2296% (0.40 1.00 0.35 0.02) = 8.230% kept T HA LYS+ 44 - HB3 LYS+ 55 3.125% * 5.0892% (0.43 10.00 0.02 0.02) = 5.089% kept HA ASN 89 - HB VAL 122 3.125% * 0.8683% (0.73 1.00 0.02 0.02) = 0.868% HB THR 39 - HB VAL 122 3.125% * 0.8072% (0.68 1.00 0.02 0.02) = 0.807% HB3 HIS+ 5 - HB VAL 122 3.125% * 0.7842% (0.66 1.00 0.02 0.02) = 0.784% HB3 SER 77 - HB VAL 122 3.125% * 0.7831% (0.66 1.00 0.02 0.02) = 0.783% HB3 HIS+ 5 - HB VAL 13 3.125% * 0.7469% (0.63 1.00 0.02 0.02) = 0.747% HB3 SER 77 - HB VAL 13 3.125% * 0.7459% (0.63 1.00 0.02 0.02) = 0.746% T HA LYS+ 44 - HB2 PRO 116 3.125% * 0.5398% (0.05 10.00 0.02 0.02) = 0.540% HA ASN 89 - HB3 LYS+ 55 3.125% * 0.5109% (0.43 1.00 0.02 0.02) = 0.511% HB THR 38 - HB VAL 122 3.125% * 0.4951% (0.42 1.00 0.02 0.02) = 0.495% HB THR 39 - HB3 LYS+ 55 3.125% * 0.4750% (0.40 1.00 0.02 0.02) = 0.475% HB3 HIS+ 5 - HB3 LYS+ 55 3.125% * 0.4614% (0.39 1.00 0.02 0.02) = 0.461% HB3 SER 77 - HB3 LYS+ 55 3.125% * 0.4608% (0.39 1.00 0.02 0.02) = 0.461% HA ASN 89 - HB2 PRO 116 3.125% * 0.4412% (0.05 1.00 0.16 0.02) = 0.441% HA1 GLY 92 - HB VAL 122 3.125% * 0.4256% (0.36 1.00 0.02 0.02) = 0.426% HB THR 95 - HB VAL 122 3.125% * 0.4256% (0.36 1.00 0.02 0.02) = 0.426% HA1 GLY 92 - HB VAL 13 3.125% * 0.4054% (0.34 1.00 0.02 0.02) = 0.405% HB THR 95 - HB VAL 13 3.125% * 0.4054% (0.34 1.00 0.02 0.02) = 0.405% HB THR 38 - HB3 LYS+ 55 3.125% * 0.2913% (0.25 1.00 0.02 0.02) = 0.291% HA1 GLY 92 - HB3 LYS+ 55 3.125% * 0.2504% (0.21 1.00 0.02 0.02) = 0.250% HB THR 95 - HB3 LYS+ 55 3.125% * 0.2504% (0.21 1.00 0.02 0.02) = 0.250% HB THR 39 - HB2 PRO 116 3.125% * 0.0504% (0.04 1.00 0.02 0.90) = 0.050% HB3 HIS+ 5 - HB2 PRO 116 3.125% * 0.0489% (0.04 1.00 0.02 0.02) = 0.049% HB3 SER 77 - HB2 PRO 116 3.125% * 0.0489% (0.04 1.00 0.02 0.02) = 0.049% HB THR 38 - HB2 PRO 116 3.125% * 0.0309% (0.03 1.00 0.02 0.02) = 0.031% HA1 GLY 92 - HB2 PRO 116 3.125% * 0.0266% (0.02 1.00 0.02 0.02) = 0.027% HB THR 95 - HB2 PRO 116 3.125% * 0.0266% (0.02 1.00 0.02 0.82) = 0.027% Peak 2018 (1.75, 2.03, 32.81 ppm): 24 chemical-shift based assignments, quality = 0.194, support = 0.245, residual support = 0.0196: HB VAL 94 - HB2 PRO 112 4.167% * 10.4762% (0.12 0.32 0.02) = 10.476% kept HB2 HIS+ 7 - HB2 PRO 112 4.167% * 10.4646% (0.12 0.32 0.02) = 10.465% kept HB2 ARG+ 84 - HB2 PRO 112 4.167% * 10.2346% (0.12 0.32 0.02) = 10.235% kept HB VAL 94 - HB3 PRO 112 4.167% * 10.0152% (0.12 0.32 0.02) = 10.015% kept HB2 HIS+ 7 - HB3 PRO 112 4.167% * 10.0041% (0.12 0.32 0.02) = 10.004% kept HB2 ARG+ 84 - HB3 PRO 112 4.167% * 9.7843% (0.11 0.32 0.02) = 9.784% kept HB3 ARG+ 53 - HB2 PRO 112 4.167% * 4.1518% (0.06 0.28 0.02) = 4.152% kept HB3 GLU- 18 - HB2 PRO 112 4.167% * 4.1518% (0.06 0.28 0.02) = 4.152% kept HB VAL 94 - HB3 LYS+ 110 4.167% * 4.0160% (0.75 0.02 0.02) = 4.016% kept HB2 HIS+ 7 - HB3 LYS+ 110 4.167% * 3.9716% (0.74 0.02 0.02) = 3.972% kept HB3 GLU- 18 - HB3 PRO 112 4.167% * 3.9692% (0.05 0.28 0.02) = 3.969% kept HB3 ARG+ 53 - HB3 PRO 112 4.167% * 3.9692% (0.05 0.28 0.02) = 3.969% kept HB2 ARG+ 84 - HB3 LYS+ 110 4.167% * 3.8329% (0.72 0.02 0.02) = 3.833% kept HB3 ARG+ 53 - HB3 LYS+ 110 4.167% * 1.8166% (0.34 0.02 0.02) = 1.817% kept HB3 GLU- 18 - HB3 LYS+ 110 4.167% * 1.8166% (0.34 0.02 0.02) = 1.817% kept HB3 GLU- 50 - HB3 LYS+ 110 4.167% * 1.5207% (0.28 0.02 0.02) = 1.521% kept HB VAL 94 - HB VAL 62 4.167% * 1.2575% (0.24 0.02 0.02) = 1.258% kept HB2 HIS+ 7 - HB VAL 62 4.167% * 1.2436% (0.23 0.02 0.02) = 1.244% kept HB2 ARG+ 84 - HB VAL 62 4.167% * 1.2002% (0.22 0.02 0.02) = 1.200% kept HB3 ARG+ 53 - HB VAL 62 4.167% * 0.5688% (0.11 0.02 0.02) = 0.569% HB3 GLU- 18 - HB VAL 62 4.167% * 0.5688% (0.11 0.02 0.02) = 0.569% HB3 GLU- 50 - HB VAL 62 4.167% * 0.4762% (0.09 0.02 0.02) = 0.476% HB3 GLU- 50 - HB2 PRO 112 4.167% * 0.2502% (0.05 0.02 0.02) = 0.250% HB3 GLU- 50 - HB3 PRO 112 4.167% * 0.2392% (0.04 0.02 0.02) = 0.239% Not enough quality. Peak unassigned. Peak 2019 (1.61, 2.12, 32.96 ppm): 30 chemical-shift based assignments, quality = 0.208, support = 1.37, residual support = 8.96: O HG2 LYS+ 110 - HB2 LYS+ 110 3.333% * 54.2422% (0.21 10.0 1.50 9.07) = 54.242% kept O HG3 LYS+ 110 - HB2 LYS+ 110 3.333% * 44.5476% (0.21 10.0 1.25 9.07) = 44.548% kept HG2 LYS+ 110 - HB VAL 87 3.333% * 0.0878% (0.26 1.0 0.02 0.02) = 0.088% HG3 LYS+ 110 - HB VAL 87 3.333% * 0.0868% (0.25 1.0 0.02 0.02) = 0.087% HG3 LYS+ 78 - HB VAL 87 3.333% * 0.0795% (0.23 1.0 0.02 0.02) = 0.079% HB3 LEU 17 - HB VAL 87 3.333% * 0.0795% (0.23 1.0 0.02 0.02) = 0.079% HD3 LYS+ 32 - HB VAL 87 3.333% * 0.0709% (0.21 1.0 0.02 0.02) = 0.071% HG3 LYS+ 78 - HB2 LYS+ 110 3.333% * 0.0654% (0.19 1.0 0.02 0.02) = 0.065% HB3 LEU 17 - HB2 LYS+ 110 3.333% * 0.0654% (0.19 1.0 0.02 0.02) = 0.065% HD3 LYS+ 32 - HB2 LYS+ 110 3.333% * 0.0584% (0.17 1.0 0.02 0.02) = 0.058% HG12 ILE 101 - HB VAL 87 3.333% * 0.0537% (0.16 1.0 0.02 0.02) = 0.054% HB ILE 100 - HB VAL 87 3.333% * 0.0537% (0.16 1.0 0.02 0.02) = 0.054% HB2 LEU 67 - HB VAL 87 3.333% * 0.0537% (0.16 1.0 0.02 0.02) = 0.054% HG LEU 23 - HB VAL 87 3.333% * 0.0466% (0.14 1.0 0.02 0.02) = 0.047% HB ILE 100 - HB2 LYS+ 110 3.333% * 0.0443% (0.13 1.0 0.02 0.02) = 0.044% HG12 ILE 101 - HB2 LYS+ 110 3.333% * 0.0443% (0.13 1.0 0.02 0.02) = 0.044% HB2 LEU 67 - HB2 LYS+ 110 3.333% * 0.0443% (0.13 1.0 0.02 0.02) = 0.044% HG LEU 23 - HB2 LYS+ 110 3.333% * 0.0384% (0.11 1.0 0.02 0.02) = 0.038% HB3 LYS+ 32 - HB VAL 87 3.333% * 0.0273% (0.08 1.0 0.02 0.02) = 0.027% HG2 LYS+ 110 - HB VAL 125 3.333% * 0.0257% (0.08 1.0 0.02 0.02) = 0.026% HG3 LYS+ 110 - HB VAL 125 3.333% * 0.0254% (0.07 1.0 0.02 0.02) = 0.025% HG3 LYS+ 78 - HB VAL 125 3.333% * 0.0233% (0.07 1.0 0.02 0.02) = 0.023% HB3 LEU 17 - HB VAL 125 3.333% * 0.0233% (0.07 1.0 0.02 0.02) = 0.023% HB3 LYS+ 32 - HB2 LYS+ 110 3.333% * 0.0225% (0.07 1.0 0.02 0.02) = 0.023% HD3 LYS+ 32 - HB VAL 125 3.333% * 0.0208% (0.06 1.0 0.02 0.02) = 0.021% HB2 LEU 67 - HB VAL 125 3.333% * 0.0157% (0.05 1.0 0.02 0.02) = 0.016% HB ILE 100 - HB VAL 125 3.333% * 0.0157% (0.05 1.0 0.02 0.02) = 0.016% HG12 ILE 101 - HB VAL 125 3.333% * 0.0157% (0.05 1.0 0.02 0.02) = 0.016% HG LEU 23 - HB VAL 125 3.333% * 0.0137% (0.04 1.0 0.02 0.02) = 0.014% HB3 LYS+ 32 - HB VAL 125 3.333% * 0.0080% (0.02 1.0 0.02 0.02) = 0.008% Peak 2020 (1.53, 2.03, 32.90 ppm): 48 chemical-shift based assignments, quality = 0.0829, support = 1.05, residual support = 1.5: T HG LEU 74 - HB3 LYS+ 110 2.083% * 40.0630% (0.15 10.00 0.74 0.58) = 40.063% kept T HG LEU 74 - HB2 LYS+ 44 2.083% * 19.4496% (0.04 10.00 1.43 3.69) = 19.450% kept T HG LEU 74 - HB VAL 105 2.083% * 15.3995% (0.03 10.00 1.64 0.62) = 15.400% kept T HG LEU 74 - HB VAL 62 2.083% * 10.1321% (0.02 10.00 1.46 1.71) = 10.132% kept HG LEU 43 - HB2 LYS+ 44 2.083% * 5.7748% (0.15 1.00 1.05 4.65) = 5.775% kept HG3 LYS+ 72 - HB2 LYS+ 44 2.083% * 1.4601% (0.08 1.00 0.50 0.47) = 1.460% kept QG2 THR 24 - HB2 LYS+ 44 2.083% * 1.2343% (0.10 1.00 0.32 0.02) = 1.234% kept HB2 LYS+ 72 - HB2 LYS+ 44 2.083% * 1.0801% (0.06 1.00 0.51 0.47) = 1.080% kept QG2 VAL 80 - HB3 LYS+ 110 2.083% * 0.6745% (0.91 1.00 0.02 0.02) = 0.674% HG LEU 9 - HB3 LYS+ 110 2.083% * 0.6240% (0.84 1.00 0.02 0.02) = 0.624% HB3 LEU 23 - HB3 LYS+ 110 2.083% * 0.5413% (0.73 1.00 0.02 0.02) = 0.541% HG LEU 43 - HB3 LYS+ 110 2.083% * 0.4373% (0.59 1.00 0.02 0.02) = 0.437% QG2 THR 24 - HB3 LYS+ 110 2.083% * 0.3031% (0.41 1.00 0.02 0.02) = 0.303% HG13 ILE 29 - HB3 LYS+ 110 2.083% * 0.2306% (0.31 1.00 0.02 0.02) = 0.231% HG3 LYS+ 72 - HB3 LYS+ 110 2.083% * 0.2306% (0.31 1.00 0.02 0.02) = 0.231% QG2 VAL 80 - HB2 LYS+ 44 2.083% * 0.1696% (0.23 1.00 0.02 0.40) = 0.170% HB3 LEU 90 - HB3 LYS+ 110 2.083% * 0.1686% (0.23 1.00 0.02 0.02) = 0.169% HB3 LEU 9 - HB3 LYS+ 110 2.083% * 0.1686% (0.23 1.00 0.02 0.02) = 0.169% HB2 LYS+ 72 - HB3 LYS+ 110 2.083% * 0.1686% (0.23 1.00 0.02 0.02) = 0.169% HG LEU 9 - HB2 LYS+ 44 2.083% * 0.1569% (0.21 1.00 0.02 0.02) = 0.157% HB3 LEU 23 - HB2 LYS+ 44 2.083% * 0.1361% (0.18 1.00 0.02 0.02) = 0.136% HD3 LYS+ 108 - HB3 LYS+ 110 2.083% * 0.1184% (0.16 1.00 0.02 0.02) = 0.118% QG2 VAL 80 - HB VAL 105 2.083% * 0.1170% (0.16 1.00 0.02 0.02) = 0.117% HG LEU 9 - HB VAL 105 2.083% * 0.1082% (0.15 1.00 0.02 0.02) = 0.108% HB3 LEU 23 - HB VAL 105 2.083% * 0.0939% (0.13 1.00 0.02 0.02) = 0.094% QG2 VAL 80 - HB VAL 62 2.083% * 0.0865% (0.12 1.00 0.02 0.61) = 0.087% HG LEU 9 - HB VAL 62 2.083% * 0.0801% (0.11 1.00 0.02 1.52) = 0.080% HG LEU 43 - HB VAL 105 2.083% * 0.0758% (0.10 1.00 0.02 0.02) = 0.076% HB3 LEU 23 - HB VAL 62 2.083% * 0.0694% (0.09 1.00 0.02 0.02) = 0.069% HG13 ILE 29 - HB2 LYS+ 44 2.083% * 0.0580% (0.08 1.00 0.02 0.02) = 0.058% HG LEU 43 - HB VAL 62 2.083% * 0.0561% (0.08 1.00 0.02 0.21) = 0.056% QG2 THR 24 - HB VAL 105 2.083% * 0.0526% (0.07 1.00 0.02 0.02) = 0.053% HB3 LEU 90 - HB2 LYS+ 44 2.083% * 0.0424% (0.06 1.00 0.02 0.02) = 0.042% HB3 LEU 9 - HB2 LYS+ 44 2.083% * 0.0424% (0.06 1.00 0.02 0.02) = 0.042% HG3 LYS+ 72 - HB VAL 105 2.083% * 0.0400% (0.05 1.00 0.02 0.02) = 0.040% HG13 ILE 29 - HB VAL 105 2.083% * 0.0400% (0.05 1.00 0.02 0.02) = 0.040% QG2 THR 24 - HB VAL 62 2.083% * 0.0389% (0.05 1.00 0.02 0.02) = 0.039% HD3 LYS+ 108 - HB2 LYS+ 44 2.083% * 0.0298% (0.04 1.00 0.02 0.02) = 0.030% HG3 LYS+ 72 - HB VAL 62 2.083% * 0.0296% (0.04 1.00 0.02 1.81) = 0.030% HG13 ILE 29 - HB VAL 62 2.083% * 0.0296% (0.04 1.00 0.02 0.02) = 0.030% HB3 LEU 90 - HB VAL 105 2.083% * 0.0292% (0.04 1.00 0.02 0.02) = 0.029% HB3 LEU 9 - HB VAL 105 2.083% * 0.0292% (0.04 1.00 0.02 0.02) = 0.029% HB2 LYS+ 72 - HB VAL 105 2.083% * 0.0292% (0.04 1.00 0.02 0.02) = 0.029% HB3 LEU 9 - HB VAL 62 2.083% * 0.0216% (0.03 1.00 0.02 1.52) = 0.022% HB3 LEU 90 - HB VAL 62 2.083% * 0.0216% (0.03 1.00 0.02 0.02) = 0.022% HB2 LYS+ 72 - HB VAL 62 2.083% * 0.0216% (0.03 1.00 0.02 1.81) = 0.022% HD3 LYS+ 108 - HB VAL 105 2.083% * 0.0205% (0.03 1.00 0.02 0.02) = 0.021% HD3 LYS+ 108 - HB VAL 62 2.083% * 0.0152% (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 = 0.182, support = 0.883, residual support = 5.06: O HD3 LYS+ 44 - HB3 LYS+ 44 2.083% * 21.9909% (0.06 10.0 1.00 1.00 11.43) = 21.991% kept HB3 LYS+ 60 - HB2 PRO 59 2.083% * 10.8364% (0.19 1.0 1.00 1.45 12.33) = 10.836% kept HG LEU 74 - HB3 LYS+ 63 2.083% * 10.0807% (0.17 1.0 1.00 1.53 1.40) = 10.081% kept HB3 LYS+ 60 - HB3 LYS+ 63 2.083% * 9.7886% (0.43 1.0 1.00 0.59 0.18) = 9.789% kept HB3 LYS+ 60 - HB3 PRO 59 2.083% * 7.2053% (0.13 1.0 1.00 1.47 12.33) = 7.205% kept HG3 LYS+ 55 - HB3 LYS+ 63 2.083% * 6.3803% (0.30 1.0 1.00 0.54 0.02) = 6.380% kept HG3 LYS+ 108 - HB3 LYS+ 117 2.083% * 4.5059% (0.17 1.0 1.00 0.69 0.12) = 4.506% kept HG3 LYS+ 108 - HB2 LYS+ 117 2.083% * 4.3946% (0.16 1.0 1.00 0.69 0.12) = 4.395% kept HG LEU 74 - HB3 LYS+ 44 2.083% * 4.0003% (0.07 1.0 1.00 1.43 3.69) = 4.000% kept HG LEU 74 - HB3 LYS+ 117 2.083% * 2.9151% (0.21 1.0 1.00 0.35 0.02) = 2.915% kept HG LEU 74 - HB2 LYS+ 117 2.083% * 2.8431% (0.21 1.0 1.00 0.35 0.02) = 2.843% kept HD3 LYS+ 44 - HB3 LYS+ 63 2.083% * 2.1589% (0.13 1.0 1.00 0.42 0.02) = 2.159% kept HB3 LYS+ 60 - HB3 LYS+ 117 2.083% * 1.8036% (0.53 1.0 1.00 0.09 0.02) = 1.804% kept HB3 LYS+ 60 - HB2 LYS+ 117 2.083% * 1.7454% (0.52 1.0 1.00 0.09 0.02) = 1.745% kept T HG LEU 90 - HB2 PRO 59 2.083% * 1.6136% (0.21 1.0 10.00 0.02 0.02) = 1.614% kept HG LEU 90 - HB3 LYS+ 63 2.083% * 1.3592% (0.46 1.0 1.00 0.08 0.02) = 1.359% kept T HG LEU 90 - HB3 PRO 59 2.083% * 1.0615% (0.14 1.0 10.00 0.02 0.02) = 1.062% kept T HG LEU 74 - HB2 PRO 59 2.083% * 0.5900% (0.08 1.0 10.00 0.02 0.02) = 0.590% HG LEU 90 - HB3 LYS+ 117 2.083% * 0.4514% (0.58 1.0 1.00 0.02 0.39) = 0.451% HG LEU 90 - HB2 LYS+ 117 2.083% * 0.4402% (0.56 1.0 1.00 0.02 0.39) = 0.440% T HG LEU 74 - HB3 PRO 59 2.083% * 0.3882% (0.05 1.0 10.00 0.02 0.02) = 0.388% HG3 LYS+ 55 - HB3 LYS+ 117 2.083% * 0.2946% (0.38 1.0 1.00 0.02 0.02) = 0.295% HG3 LYS+ 55 - HB2 LYS+ 117 2.083% * 0.2873% (0.37 1.0 1.00 0.02 0.02) = 0.287% HD3 LYS+ 113 - HB3 LYS+ 117 2.083% * 0.2738% (0.35 1.0 1.00 0.02 0.02) = 0.274% HD3 LYS+ 113 - HB2 LYS+ 117 2.083% * 0.2670% (0.34 1.0 1.00 0.02 0.02) = 0.267% HD3 LYS+ 113 - HB3 LYS+ 63 2.083% * 0.2188% (0.28 1.0 1.00 0.02 0.02) = 0.219% HB3 LEU 67 - HB3 LYS+ 117 2.083% * 0.1953% (0.25 1.0 1.00 0.02 0.02) = 0.195% HB3 LEU 67 - HB2 LYS+ 117 2.083% * 0.1905% (0.24 1.0 1.00 0.02 0.02) = 0.190% HB3 LEU 67 - HB3 LYS+ 63 2.083% * 0.1561% (0.20 1.0 1.00 0.02 0.02) = 0.156% HG LEU 90 - HB3 LYS+ 44 2.083% * 0.1530% (0.20 1.0 1.00 0.02 0.02) = 0.153% HB3 LYS+ 60 - HB3 LYS+ 44 2.083% * 0.1412% (0.18 1.0 1.00 0.02 0.02) = 0.141% HD3 LYS+ 44 - HB3 LYS+ 117 2.083% * 0.1298% (0.17 1.0 1.00 0.02 0.02) = 0.130% HD3 LYS+ 44 - HB2 LYS+ 117 2.083% * 0.1265% (0.16 1.0 1.00 0.02 0.02) = 0.127% HG3 LYS+ 55 - HB2 PRO 59 2.083% * 0.1053% (0.13 1.0 1.00 0.02 0.02) = 0.105% HG3 LYS+ 108 - HB3 LYS+ 63 2.083% * 0.1037% (0.13 1.0 1.00 0.02 0.02) = 0.104% HG3 LYS+ 55 - HB3 LYS+ 44 2.083% * 0.0999% (0.13 1.0 1.00 0.02 0.02) = 0.100% HD3 LYS+ 113 - HB2 PRO 59 2.083% * 0.0979% (0.13 1.0 1.00 0.02 0.02) = 0.098% HD3 LYS+ 113 - HB3 LYS+ 44 2.083% * 0.0928% (0.12 1.0 1.00 0.02 0.02) = 0.093% HB3 LEU 67 - HB2 PRO 59 2.083% * 0.0698% (0.09 1.0 1.00 0.02 0.02) = 0.070% HG3 LYS+ 55 - HB3 PRO 59 2.083% * 0.0693% (0.09 1.0 1.00 0.02 0.02) = 0.069% HB3 LEU 67 - HB3 LYS+ 44 2.083% * 0.0662% (0.08 1.0 1.00 0.02 0.02) = 0.066% HD3 LYS+ 113 - HB3 PRO 59 2.083% * 0.0644% (0.08 1.0 1.00 0.02 0.02) = 0.064% HD3 LYS+ 44 - HB2 PRO 59 2.083% * 0.0464% (0.06 1.0 1.00 0.02 0.02) = 0.046% HG3 LYS+ 108 - HB2 PRO 59 2.083% * 0.0464% (0.06 1.0 1.00 0.02 0.02) = 0.046% HB3 LEU 67 - HB3 PRO 59 2.083% * 0.0459% (0.06 1.0 1.00 0.02 0.02) = 0.046% HG3 LYS+ 108 - HB3 LYS+ 44 2.083% * 0.0440% (0.06 1.0 1.00 0.02 0.02) = 0.044% HD3 LYS+ 44 - HB3 PRO 59 2.083% * 0.0305% (0.04 1.0 1.00 0.02 0.02) = 0.031% HG3 LYS+ 108 - HB3 PRO 59 2.083% * 0.0305% (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 = 0.199, support = 1.02, residual support = 3.96: T HG LEU 74 - HB3 LYS+ 110 3.333% * 39.8117% (0.34 1.0 10.00 0.74 0.58) = 39.812% kept O HD3 LYS+ 44 - HB2 LYS+ 44 3.333% * 25.9059% (0.16 10.0 1.00 1.00 11.43) = 25.906% kept T HG LEU 74 - HB2 LYS+ 44 3.333% * 18.6199% (0.08 1.0 10.00 1.43 3.69) = 18.620% kept T HG LEU 74 - HB VAL 105 3.333% * 12.3203% (0.05 1.0 10.00 1.64 0.62) = 12.320% kept QG2 THR 38 - HB2 LYS+ 44 3.333% * 0.8254% (0.07 1.0 1.00 0.79 0.50) = 0.825% HB3 LYS+ 60 - HB3 LYS+ 110 3.333% * 0.3085% (0.98 1.0 1.00 0.02 0.02) = 0.309% HG LEU 90 - HB3 LYS+ 110 3.333% * 0.3004% (0.95 1.0 1.00 0.02 0.02) = 0.300% HG3 LYS+ 55 - HB3 LYS+ 110 3.333% * 0.3004% (0.95 1.0 1.00 0.02 0.02) = 0.300% HD3 LYS+ 113 - HB3 LYS+ 110 3.333% * 0.2945% (0.93 1.0 1.00 0.02 0.02) = 0.294% HD3 LYS+ 44 - HB3 LYS+ 110 3.333% * 0.2138% (0.68 1.0 1.00 0.02 0.02) = 0.214% HG3 LYS+ 108 - HB3 LYS+ 110 3.333% * 0.2138% (0.68 1.0 1.00 0.02 0.02) = 0.214% QG2 THR 38 - HB3 LYS+ 110 3.333% * 0.0866% (0.27 1.0 1.00 0.02 0.02) = 0.087% QB ALA 37 - HB3 LYS+ 110 3.333% * 0.0866% (0.27 1.0 1.00 0.02 0.02) = 0.087% HB3 LYS+ 60 - HB2 LYS+ 44 3.333% * 0.0748% (0.24 1.0 1.00 0.02 0.02) = 0.075% HG3 LYS+ 55 - HB2 LYS+ 44 3.333% * 0.0728% (0.23 1.0 1.00 0.02 0.02) = 0.073% HG LEU 90 - HB2 LYS+ 44 3.333% * 0.0728% (0.23 1.0 1.00 0.02 0.02) = 0.073% HD3 LYS+ 113 - HB2 LYS+ 44 3.333% * 0.0714% (0.23 1.0 1.00 0.02 0.02) = 0.071% QB ALA 42 - HB3 LYS+ 110 3.333% * 0.0693% (0.22 1.0 1.00 0.02 0.02) = 0.069% HG3 LYS+ 108 - HB2 LYS+ 44 3.333% * 0.0518% (0.16 1.0 1.00 0.02 0.02) = 0.052% HB3 LYS+ 60 - HB VAL 105 3.333% * 0.0431% (0.14 1.0 1.00 0.02 0.02) = 0.043% HG3 LYS+ 55 - HB VAL 105 3.333% * 0.0419% (0.13 1.0 1.00 0.02 0.02) = 0.042% HG LEU 90 - HB VAL 105 3.333% * 0.0419% (0.13 1.0 1.00 0.02 0.02) = 0.042% HD3 LYS+ 113 - HB VAL 105 3.333% * 0.0411% (0.13 1.0 1.00 0.02 0.02) = 0.041% HG3 LYS+ 108 - HB VAL 105 3.333% * 0.0299% (0.09 1.0 1.00 0.02 0.02) = 0.030% HD3 LYS+ 44 - HB VAL 105 3.333% * 0.0299% (0.09 1.0 1.00 0.02 0.02) = 0.030% QB ALA 37 - HB2 LYS+ 44 3.333% * 0.0210% (0.07 1.0 1.00 0.02 0.02) = 0.021% QB ALA 42 - HB2 LYS+ 44 3.333% * 0.0168% (0.05 1.0 1.00 0.02 0.02) = 0.017% QG2 THR 38 - HB VAL 105 3.333% * 0.0121% (0.04 1.0 1.00 0.02 0.02) = 0.012% QB ALA 37 - HB VAL 105 3.333% * 0.0121% (0.04 1.0 1.00 0.02 0.02) = 0.012% QB ALA 42 - HB VAL 105 3.333% * 0.0097% (0.03 1.0 1.00 0.02 0.02) = 0.010% Not enough quality. Peak unassigned. Peak 2023 (1.25, 2.11, 32.95 ppm): 6 chemical-shift based assignments, quality = 0.249, support = 1.02, residual support = 1.58: HG LEU 74 - HB VAL 125 16.667% * 53.7881% (0.13 1.69 2.59) = 53.788% kept HG LEU 74 - HB2 LYS+ 110 16.667% * 30.9518% (0.41 0.30 0.58) = 30.952% kept HG LEU 74 - HB VAL 87 16.667% * 13.5641% (0.39 0.14 0.02) = 13.564% kept HG2 LYS+ 32 - HB2 LYS+ 110 16.667% * 0.7503% (0.15 0.02 0.02) = 0.750% HG2 LYS+ 32 - HB VAL 87 16.667% * 0.7146% (0.14 0.02 0.02) = 0.715% HG2 LYS+ 32 - HB VAL 125 16.667% * 0.2311% (0.05 0.02 0.02) = 0.231% Peak 2026 (0.84, 1.97, 32.87 ppm): 56 chemical-shift based assignments, quality = 0.533, support = 0.985, residual support = 2.08: O QG2 VAL 13 - HB VAL 13 1.786% * 50.5246% (0.62 10.0 1.00 1.00 2.14) = 50.525% kept O QG1 VAL 13 - HB VAL 13 1.786% * 41.2742% (0.50 10.0 1.00 1.00 2.14) = 41.274% kept HG LEU 74 - HB VAL 122 1.786% * 2.2113% (0.27 1.0 1.00 1.00 4.52) = 2.211% kept T HG LEU 74 - HB VAL 105 1.786% * 2.0688% (0.02 1.0 10.00 1.64 0.62) = 2.069% kept QG1 VAL 94 - HB VAL 122 1.786% * 1.7836% (0.36 1.0 1.00 0.61 0.02) = 1.784% kept HG LEU 74 - HB3 LYS+ 55 1.786% * 0.2305% (0.11 1.0 1.00 0.26 0.02) = 0.230% QG2 VAL 13 - HB VAL 122 1.786% * 0.1096% (0.67 1.0 1.00 0.02 0.02) = 0.110% HG2 LYS+ 117 - HB VAL 122 1.786% * 0.1058% (0.65 1.0 1.00 0.02 0.02) = 0.106% QD1 ILE 29 - HB VAL 122 1.786% * 0.1003% (0.61 1.0 1.00 0.02 0.02) = 0.100% HG2 LYS+ 117 - HB VAL 13 1.786% * 0.0975% (0.60 1.0 1.00 0.02 0.02) = 0.098% HG3 LYS+ 117 - HB VAL 122 1.786% * 0.0934% (0.57 1.0 1.00 0.02 0.02) = 0.093% QD1 ILE 29 - HB VAL 13 1.786% * 0.0925% (0.56 1.0 1.00 0.02 0.02) = 0.092% QG1 VAL 13 - HB VAL 122 1.786% * 0.0895% (0.55 1.0 1.00 0.02 0.02) = 0.090% HG3 LYS+ 117 - HB VAL 13 1.786% * 0.0861% (0.53 1.0 1.00 0.02 0.02) = 0.086% HB ILE 101 - HB VAL 122 1.786% * 0.0768% (0.47 1.0 1.00 0.02 0.02) = 0.077% HB ILE 101 - HB VAL 13 1.786% * 0.0708% (0.43 1.0 1.00 0.02 0.02) = 0.071% HG2 LYS+ 113 - HB VAL 122 1.786% * 0.0678% (0.41 1.0 1.00 0.02 0.02) = 0.068% HG2 LYS+ 113 - HB VAL 13 1.786% * 0.0625% (0.38 1.0 1.00 0.02 0.02) = 0.063% QG1 VAL 94 - HB VAL 13 1.786% * 0.0542% (0.33 1.0 1.00 0.02 0.02) = 0.054% HG3 LYS+ 113 - HB VAL 122 1.786% * 0.0460% (0.28 1.0 1.00 0.02 0.02) = 0.046% QG2 VAL 13 - HB3 LYS+ 55 1.786% * 0.0441% (0.27 1.0 1.00 0.02 0.02) = 0.044% HG2 LYS+ 117 - HB3 LYS+ 55 1.786% * 0.0425% (0.26 1.0 1.00 0.02 0.02) = 0.043% HG3 LYS+ 113 - HB VAL 13 1.786% * 0.0424% (0.26 1.0 1.00 0.02 0.02) = 0.042% HG LEU 74 - HB VAL 13 1.786% * 0.0410% (0.25 1.0 1.00 0.02 0.02) = 0.041% QD1 ILE 29 - HB3 LYS+ 55 1.786% * 0.0403% (0.25 1.0 1.00 0.02 0.02) = 0.040% HG3 LYS+ 117 - HB3 LYS+ 55 1.786% * 0.0376% (0.23 1.0 1.00 0.02 0.02) = 0.038% QG1 VAL 13 - HB3 LYS+ 55 1.786% * 0.0360% (0.22 1.0 1.00 0.02 0.02) = 0.036% QD2 LEU 17 - HB VAL 122 1.786% * 0.0345% (0.21 1.0 1.00 0.02 0.02) = 0.035% QD1 LEU 90 - HB VAL 122 1.786% * 0.0345% (0.21 1.0 1.00 0.02 0.02) = 0.035% T QG1 VAL 94 - HB VAL 105 1.786% * 0.0334% (0.02 1.0 10.00 0.02 0.82) = 0.033% QD2 LEU 17 - HB VAL 13 1.786% * 0.0318% (0.19 1.0 1.00 0.02 0.02) = 0.032% QD1 LEU 90 - HB VAL 13 1.786% * 0.0318% (0.19 1.0 1.00 0.02 0.02) = 0.032% QG2 ILE 100 - HB VAL 122 1.786% * 0.0311% (0.19 1.0 1.00 0.02 0.02) = 0.031% HB ILE 101 - HB3 LYS+ 55 1.786% * 0.0309% (0.19 1.0 1.00 0.02 0.02) = 0.031% QG2 ILE 100 - HB VAL 13 1.786% * 0.0287% (0.18 1.0 1.00 0.02 0.02) = 0.029% HG2 LYS+ 113 - HB3 LYS+ 55 1.786% * 0.0273% (0.17 1.0 1.00 0.02 0.02) = 0.027% QD2 LEU 90 - HB VAL 122 1.786% * 0.0249% (0.15 1.0 1.00 0.02 0.02) = 0.025% QG1 VAL 94 - HB3 LYS+ 55 1.786% * 0.0237% (0.14 1.0 1.00 0.02 0.02) = 0.024% QD2 LEU 90 - HB VAL 13 1.786% * 0.0230% (0.14 1.0 1.00 0.02 0.02) = 0.023% HG3 LYS+ 113 - HB3 LYS+ 55 1.786% * 0.0185% (0.11 1.0 1.00 0.02 0.02) = 0.018% QD1 LEU 90 - HB3 LYS+ 55 1.786% * 0.0139% (0.08 1.0 1.00 0.02 0.02) = 0.014% QD2 LEU 17 - HB3 LYS+ 55 1.786% * 0.0139% (0.08 1.0 1.00 0.02 0.02) = 0.014% QG2 ILE 100 - HB3 LYS+ 55 1.786% * 0.0125% (0.08 1.0 1.00 0.02 0.02) = 0.013% QD2 LEU 90 - HB3 LYS+ 55 1.786% * 0.0100% (0.06 1.0 1.00 0.02 0.02) = 0.010% QG2 VAL 13 - HB VAL 105 1.786% * 0.0062% (0.04 1.0 1.00 0.02 0.02) = 0.006% HG2 LYS+ 117 - HB VAL 105 1.786% * 0.0060% (0.04 1.0 1.00 0.02 0.02) = 0.006% QD1 ILE 29 - HB VAL 105 1.786% * 0.0057% (0.03 1.0 1.00 0.02 0.02) = 0.006% HG3 LYS+ 117 - HB VAL 105 1.786% * 0.0053% (0.03 1.0 1.00 0.02 0.02) = 0.005% QG1 VAL 13 - HB VAL 105 1.786% * 0.0051% (0.03 1.0 1.00 0.02 0.02) = 0.005% HB ILE 101 - HB VAL 105 1.786% * 0.0044% (0.03 1.0 1.00 0.02 0.02) = 0.004% HG2 LYS+ 113 - HB VAL 105 1.786% * 0.0038% (0.02 1.0 1.00 0.02 0.02) = 0.004% HG3 LYS+ 113 - HB VAL 105 1.786% * 0.0026% (0.02 1.0 1.00 0.02 0.02) = 0.003% QD1 LEU 90 - HB VAL 105 1.786% * 0.0020% (0.01 1.0 1.00 0.02 0.02) = 0.002% QD2 LEU 17 - HB VAL 105 1.786% * 0.0020% (0.01 1.0 1.00 0.02 0.02) = 0.002% QG2 ILE 100 - HB VAL 105 1.786% * 0.0018% (0.01 1.0 1.00 0.02 0.02) = 0.002% QD2 LEU 90 - HB VAL 105 1.786% * 0.0014% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 2028 (7.81, 2.13, 32.54 ppm): 5 chemical-shift based assignments, quality = 0.0461, support = 2.63, residual support = 14.8: O HN VAL 87 - HB VAL 87 20.000% * 98.5450% (0.05 10.0 2.67 14.98) = 98.545% kept HN ALA 93 - HB VAL 87 20.000% * 0.9972% (0.11 1.0 0.08 0.02) = 0.997% HN LYS+ 55 - HB VAL 87 20.000% * 0.2602% (0.12 1.0 0.02 0.02) = 0.260% HN LYS+ 63 - HB VAL 87 20.000% * 0.1079% (0.05 1.0 0.02 0.02) = 0.108% HN THR 46 - HB VAL 87 20.000% * 0.0896% (0.04 1.0 0.02 0.02) = 0.090% Peak 2029 (7.82, 1.95, 32.67 ppm): 20 chemical-shift based assignments, quality = 0.833, support = 3.65, residual support = 15.4: O HN LYS+ 55 - HB3 LYS+ 55 5.000% * 94.8045% (0.84 10.0 3.79 16.25) = 94.805% kept HN LYS+ 63 - HB3 LYS+ 55 5.000% * 4.8651% (0.72 1.0 1.20 0.02) = 4.865% kept HN ALA 93 - HB3 LYS+ 55 5.000% * 0.0598% (0.53 1.0 0.02 0.02) = 0.060% HN LYS+ 55 - HB2 PRO 116 5.000% * 0.0344% (0.31 1.0 0.02 0.02) = 0.034% HN LYS+ 63 - HB2 PRO 116 5.000% * 0.0293% (0.26 1.0 0.02 0.02) = 0.029% HN LYS+ 55 - HB VAL 122 5.000% * 0.0257% (0.23 1.0 0.02 0.02) = 0.026% HN LYS+ 55 - HB VAL 13 5.000% * 0.0252% (0.22 1.0 0.02 0.02) = 0.025% HN LYS+ 63 - HB VAL 122 5.000% * 0.0219% (0.19 1.0 0.02 0.02) = 0.022% HN ALA 93 - HB2 PRO 116 5.000% * 0.0217% (0.19 1.0 0.02 0.02) = 0.022% HN LYS+ 63 - HB VAL 13 5.000% * 0.0215% (0.19 1.0 0.02 0.02) = 0.021% HN ALA 93 - HB VAL 122 5.000% * 0.0162% (0.14 1.0 0.02 0.02) = 0.016% HN ALA 93 - HB VAL 13 5.000% * 0.0159% (0.14 1.0 0.02 0.02) = 0.016% HN VAL 87 - HB3 LYS+ 55 5.000% * 0.0143% (0.13 1.0 0.02 0.02) = 0.014% HN LYS+ 55 - HB3 PRO 35 5.000% * 0.0120% (0.11 1.0 0.02 0.02) = 0.012% HN LYS+ 63 - HB3 PRO 35 5.000% * 0.0102% (0.09 1.0 0.02 0.02) = 0.010% HN ALA 93 - HB3 PRO 35 5.000% * 0.0076% (0.07 1.0 0.02 0.02) = 0.008% HN VAL 87 - HB2 PRO 116 5.000% * 0.0052% (0.05 1.0 0.02 0.02) = 0.005% HN VAL 87 - HB VAL 122 5.000% * 0.0039% (0.03 1.0 0.02 0.02) = 0.004% HN VAL 87 - HB VAL 13 5.000% * 0.0038% (0.03 1.0 0.02 0.02) = 0.004% HN VAL 87 - HB3 PRO 35 5.000% * 0.0018% (0.02 1.0 0.02 0.02) = 0.002% Peak 2030 (7.84, 1.79, 32.50 ppm): 16 chemical-shift based assignments, quality = 0.529, support = 3.46, residual support = 16.4: O HN LYS+ 63 - HB3 LYS+ 63 6.250% * 93.2484% (0.53 10.0 3.68 17.58) = 93.248% kept HN LYS+ 63 - HB3 PRO 116 6.250% * 2.5325% (0.81 1.0 0.35 0.02) = 2.532% kept HN LYS+ 63 - HB2 LYS+ 117 6.250% * 1.9819% (0.45 1.0 0.50 0.02) = 1.982% kept HN LYS+ 63 - HB3 LYS+ 117 6.250% * 1.9171% (0.43 1.0 0.50 0.02) = 1.917% kept HD22 ASN 89 - HB3 PRO 116 6.250% * 0.0527% (0.30 1.0 0.02 0.02) = 0.053% HD22 ASN 89 - HB3 LYS+ 63 6.250% * 0.0345% (0.19 1.0 0.02 0.02) = 0.034% HN LYS+ 55 - HB3 PRO 116 6.250% * 0.0338% (0.19 1.0 0.02 0.02) = 0.034% HN THR 38 - HB3 PRO 116 6.250% * 0.0299% (0.17 1.0 0.02 0.02) = 0.030% HD22 ASN 89 - HB2 LYS+ 117 6.250% * 0.0295% (0.17 1.0 0.02 0.02) = 0.029% HD22 ASN 89 - HB3 LYS+ 117 6.250% * 0.0283% (0.16 1.0 0.02 0.02) = 0.028% HN LYS+ 55 - HB3 LYS+ 63 6.250% * 0.0221% (0.12 1.0 0.02 0.02) = 0.022% HN THR 38 - HB3 LYS+ 63 6.250% * 0.0196% (0.11 1.0 0.02 0.02) = 0.020% HN LYS+ 55 - HB2 LYS+ 117 6.250% * 0.0189% (0.11 1.0 0.02 0.02) = 0.019% HN LYS+ 55 - HB3 LYS+ 117 6.250% * 0.0181% (0.10 1.0 0.02 0.02) = 0.018% HN THR 38 - HB2 LYS+ 117 6.250% * 0.0167% (0.09 1.0 0.02 0.02) = 0.017% HN THR 38 - HB3 LYS+ 117 6.250% * 0.0161% (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 = 0.109, support = 1.37, residual support = 6.61: HA ASN 89 - HB VAL 87 20.000% * 54.5988% (0.15 1.26 2.34) = 54.599% kept HB2 SER 88 - HB VAL 87 20.000% * 33.2270% (0.06 1.81 15.95) = 33.227% kept HA LYS+ 44 - HB VAL 87 20.000% * 11.7261% (0.06 0.68 0.32) = 11.726% kept HA MET 126 - HB VAL 87 20.000% * 0.2489% (0.04 0.02 0.02) = 0.249% HA2 GLY 71 - HB VAL 87 20.000% * 0.1993% (0.03 0.02 0.02) = 0.199% Peak 2032 (4.09, 1.79, 32.47 ppm): 40 chemical-shift based assignments, quality = 0.34, support = 1.27, residual support = 10.5: O T HA LYS+ 63 - HB3 LYS+ 63 2.500% * 59.8296% (0.31 10.0 10.00 1.93 17.58) = 59.830% kept T HA LYS+ 63 - HB3 PRO 116 2.500% * 13.3480% (0.54 1.0 10.00 0.26 0.02) = 13.348% kept T HA LYS+ 63 - HB2 LYS+ 117 2.500% * 9.3592% (0.27 1.0 10.00 0.36 0.02) = 9.359% kept T HA LYS+ 63 - HB3 LYS+ 117 2.500% * 9.1900% (0.26 1.0 10.00 0.36 0.02) = 9.190% kept HA ASN 89 - HB3 LYS+ 63 2.500% * 2.0315% (0.54 1.0 1.00 0.39 0.02) = 2.031% kept HA ASN 89 - HB3 LYS+ 117 2.500% * 1.7993% (0.46 1.0 1.00 0.40 0.02) = 1.799% kept HA ASN 89 - HB3 PRO 116 2.500% * 1.4989% (0.95 1.0 1.00 0.16 0.02) = 1.499% kept HA ASN 89 - HB2 LYS+ 117 2.500% * 0.6469% (0.48 1.0 1.00 0.14 0.02) = 0.647% T HA ARG+ 53 - HB3 PRO 116 2.500% * 0.2850% (0.15 1.0 10.00 0.02 0.02) = 0.285% HA ALA 70 - HB3 PRO 116 2.500% * 0.1783% (0.92 1.0 1.00 0.02 0.02) = 0.178% T HA ARG+ 53 - HB3 LYS+ 63 2.500% * 0.1631% (0.08 1.0 10.00 0.02 0.02) = 0.163% T HA ARG+ 53 - HB2 LYS+ 117 2.500% * 0.1426% (0.07 1.0 10.00 0.02 0.02) = 0.143% T HA ARG+ 53 - HB3 LYS+ 117 2.500% * 0.1391% (0.07 1.0 10.00 0.02 0.02) = 0.139% HA LYS+ 44 - HB3 PRO 116 2.500% * 0.1314% (0.68 1.0 1.00 0.02 0.02) = 0.131% HA VAL 105 - HB3 PRO 116 2.500% * 0.1269% (0.65 1.0 1.00 0.02 0.02) = 0.127% HA ALA 70 - HB3 LYS+ 63 2.500% * 0.1020% (0.53 1.0 1.00 0.02 0.02) = 0.102% HA ALA 70 - HB2 LYS+ 117 2.500% * 0.0892% (0.46 1.0 1.00 0.02 0.02) = 0.089% HA ALA 70 - HB3 LYS+ 117 2.500% * 0.0870% (0.45 1.0 1.00 0.02 0.02) = 0.087% HA THR 46 - HB3 PRO 116 2.500% * 0.0759% (0.39 1.0 1.00 0.02 0.02) = 0.076% HA LYS+ 44 - HB3 LYS+ 63 2.500% * 0.0752% (0.39 1.0 1.00 0.02 0.02) = 0.075% HA VAL 105 - HB3 LYS+ 63 2.500% * 0.0726% (0.37 1.0 1.00 0.02 0.02) = 0.073% HA LYS+ 44 - HB2 LYS+ 117 2.500% * 0.0658% (0.34 1.0 1.00 0.02 0.02) = 0.066% HA LYS+ 44 - HB3 LYS+ 117 2.500% * 0.0642% (0.33 1.0 1.00 0.02 0.02) = 0.064% HA VAL 105 - HB2 LYS+ 117 2.500% * 0.0635% (0.33 1.0 1.00 0.02 0.02) = 0.064% HA VAL 105 - HB3 LYS+ 117 2.500% * 0.0619% (0.32 1.0 1.00 0.02 0.02) = 0.062% HA THR 46 - HB3 LYS+ 63 2.500% * 0.0434% (0.22 1.0 1.00 0.02 0.02) = 0.043% HB THR 106 - HB3 PRO 116 2.500% * 0.0411% (0.21 1.0 1.00 0.02 0.02) = 0.041% HA THR 46 - HB2 LYS+ 117 2.500% * 0.0380% (0.20 1.0 1.00 0.02 0.02) = 0.038% HA THR 46 - HB3 LYS+ 117 2.500% * 0.0371% (0.19 1.0 1.00 0.02 0.02) = 0.037% HB2 SER 49 - HB3 PRO 116 2.500% * 0.0323% (0.17 1.0 1.00 0.02 0.02) = 0.032% HB3 SER 77 - HB3 PRO 116 2.500% * 0.0259% (0.13 1.0 1.00 0.02 0.02) = 0.026% HB THR 106 - HB3 LYS+ 63 2.500% * 0.0235% (0.12 1.0 1.00 0.02 0.02) = 0.024% HB THR 106 - HB2 LYS+ 117 2.500% * 0.0206% (0.11 1.0 1.00 0.02 0.02) = 0.021% HB THR 106 - HB3 LYS+ 117 2.500% * 0.0201% (0.10 1.0 1.00 0.02 0.02) = 0.020% HB2 SER 49 - HB3 LYS+ 63 2.500% * 0.0185% (0.10 1.0 1.00 0.02 0.02) = 0.019% HB2 SER 49 - HB2 LYS+ 117 2.500% * 0.0162% (0.08 1.0 1.00 0.02 0.02) = 0.016% HB2 SER 49 - HB3 LYS+ 117 2.500% * 0.0158% (0.08 1.0 1.00 0.02 0.02) = 0.016% HB3 SER 77 - HB3 LYS+ 63 2.500% * 0.0148% (0.08 1.0 1.00 0.02 0.02) = 0.015% HB3 SER 77 - HB2 LYS+ 117 2.500% * 0.0130% (0.07 1.0 1.00 0.02 0.02) = 0.013% HB3 SER 77 - HB3 LYS+ 117 2.500% * 0.0126% (0.07 1.0 1.00 0.02 0.02) = 0.013% Peak 2033 (3.62, 1.89, 32.34 ppm): 6 chemical-shift based assignments, quality = 0.174, support = 2.26, residual support = 7.68: HA ASN 89 - HB2 PRO 104 16.667% * 36.8983% (0.11 3.96 16.65) = 36.898% kept HA ILE 48 - HB2 PRO 104 16.667% * 24.8200% (0.16 1.85 4.53) = 24.820% kept HA ASN 89 - HB3 MET 118 16.667% * 18.3980% (0.35 0.61 0.02) = 18.398% kept HD2 PRO 112 - HB2 PRO 104 16.667% * 18.0898% (0.17 1.28 2.27) = 18.090% kept HD2 PRO 112 - HB3 MET 118 16.667% * 0.9230% (0.54 0.02 0.02) = 0.923% HA ILE 48 - HB3 MET 118 16.667% * 0.8709% (0.51 0.02 0.02) = 0.871% Peak 2034 (2.52, 2.11, 32.58 ppm): 8 chemical-shift based assignments, quality = 0.594, support = 0.607, residual support = 0.525: HB2 ASP- 36 - HB VAL 87 12.500% * 56.6240% (0.62 0.68 0.79) = 56.624% kept HA1 GLY 58 - HB VAL 87 12.500% * 41.1127% (0.58 0.54 0.19) = 41.113% kept HB2 ASP- 115 - HB VAL 87 12.500% * 1.0139% (0.38 0.02 0.15) = 1.014% kept HB2 ASP- 36 - HB2 LYS+ 110 12.500% * 0.3522% (0.13 0.02 0.02) = 0.352% HA1 GLY 58 - HB2 LYS+ 110 12.500% * 0.3267% (0.12 0.02 0.02) = 0.327% HB3 LYS+ 81 - HB VAL 87 12.500% * 0.2928% (0.11 0.02 0.02) = 0.293% HB2 ASP- 115 - HB2 LYS+ 110 12.500% * 0.2155% (0.08 0.02 0.02) = 0.216% HB3 LYS+ 81 - HB2 LYS+ 110 12.500% * 0.0622% (0.02 0.02 0.02) = 0.062% Peak 2035 (2.51, 2.01, 32.43 ppm): 15 chemical-shift based assignments, quality = 0.668, support = 0.473, residual support = 0.137: HA1 GLY 58 - HB3 PRO 112 6.667% * 38.8541% (0.85 0.67 0.11) = 38.854% kept HB2 ASP- 36 - HB3 PRO 112 6.667% * 14.7610% (0.64 0.34 0.02) = 14.761% kept HA1 GLY 58 - HB2 PRO 112 6.667% * 14.3572% (0.81 0.26 0.11) = 14.357% kept HB2 ASP- 36 - HB2 PRO 112 6.667% * 14.3248% (0.62 0.34 0.02) = 14.325% kept HA1 GLY 58 - HB VAL 62 6.667% * 10.6360% (0.23 0.67 0.66) = 10.636% kept HG3 PRO 35 - HB3 PRO 112 6.667% * 2.3413% (0.32 0.11 0.02) = 2.341% kept HG3 PRO 35 - HB2 PRO 112 6.667% * 2.2271% (0.31 0.11 0.02) = 2.227% kept HB3 LYS+ 81 - HB3 PRO 112 6.667% * 0.6709% (0.49 0.02 0.02) = 0.671% HB3 LYS+ 81 - HB2 PRO 112 6.667% * 0.6446% (0.47 0.02 0.02) = 0.645% HB2 ASP- 115 - HB3 PRO 112 6.667% * 0.2839% (0.21 0.02 0.02) = 0.284% HB2 ASP- 115 - HB2 PRO 112 6.667% * 0.2728% (0.20 0.02 0.02) = 0.273% HB2 ASP- 36 - HB VAL 62 6.667% * 0.2421% (0.18 0.02 0.02) = 0.242% HB3 LYS+ 81 - HB VAL 62 6.667% * 0.1854% (0.14 0.02 0.33) = 0.185% HG3 PRO 35 - HB VAL 62 6.667% * 0.1202% (0.09 0.02 0.02) = 0.120% HB2 ASP- 115 - HB VAL 62 6.667% * 0.0785% (0.06 0.02 0.02) = 0.078% 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): 8 chemical-shift based assignments, quality = 0.0827, support = 1.74, residual support = 3.98: T HA1 GLY 58 - HB2 PRO 104 12.500% * 98.9008% (0.08 10.00 1.76 4.03) = 98.901% kept HB2 PRO 86 - HB3 MET 118 12.500% * 0.3118% (0.23 1.00 0.02 0.02) = 0.312% HA1 GLY 58 - HB3 MET 118 12.500% * 0.2993% (0.22 1.00 0.02 0.02) = 0.299% HB VAL 80 - HB3 MET 118 12.500% * 0.1426% (0.11 1.00 0.02 0.02) = 0.143% HG3 GLU- 64 - HB3 MET 118 12.500% * 0.1268% (0.09 1.00 0.02 0.02) = 0.127% HB2 PRO 86 - HB2 PRO 104 12.500% * 0.1173% (0.09 1.00 0.02 0.02) = 0.117% HB VAL 80 - HB2 PRO 104 12.500% * 0.0537% (0.04 1.00 0.02 0.02) = 0.054% HG3 GLU- 64 - HB2 PRO 104 12.500% * 0.0477% (0.04 1.00 0.02 0.02) = 0.048% 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 = 0.608, support = 1.24, residual support = 2.93: HG3 PRO 116 - HB2 PRO 86 5.556% * 41.2542% (0.71 1.77 4.42) = 41.254% kept HG3 PRO 116 - HB3 PRO 86 5.556% * 25.0337% (0.43 1.76 4.42) = 25.034% kept HB3 GLU- 109 - HB2 PRO 86 5.556% * 7.0087% (0.84 0.25 0.02) = 7.009% kept HB VAL 122 - HB2 PRO 86 5.556% * 6.6924% (0.81 0.25 0.02) = 6.692% kept HB VAL 13 - HB2 PRO 86 5.556% * 5.9700% (0.74 0.24 0.02) = 5.970% kept HB3 GLU- 109 - HB3 PRO 86 5.556% * 4.1977% (0.51 0.25 0.02) = 4.198% kept HB VAL 122 - HB3 PRO 86 5.556% * 3.9917% (0.49 0.24 0.02) = 3.992% kept HB3 LYS+ 55 - HB3 PRO 86 5.556% * 2.2609% (0.22 0.31 0.02) = 2.261% kept HB2 LYS+ 108 - HB2 PRO 86 5.556% * 1.2220% (0.47 0.08 0.02) = 1.222% kept HG3 PRO 104 - HB2 PRO 86 5.556% * 0.6088% (0.92 0.02 0.02) = 0.609% HG3 PRO 104 - HB3 PRO 86 5.556% * 0.3711% (0.56 0.02 0.02) = 0.371% HB VAL 13 - HB3 PRO 86 5.556% * 0.2998% (0.45 0.02 0.02) = 0.300% HG3 PRO 31 - HB2 PRO 86 5.556% * 0.2646% (0.40 0.02 0.02) = 0.265% HB3 LYS+ 55 - HB2 PRO 86 5.556% * 0.2416% (0.36 0.02 0.02) = 0.242% HB2 LYS+ 108 - HB3 PRO 86 5.556% * 0.1910% (0.29 0.02 0.02) = 0.191% HG3 PRO 31 - HB3 PRO 86 5.556% * 0.1613% (0.24 0.02 0.02) = 0.161% HB2 GLU- 75 - HB2 PRO 86 5.556% * 0.1433% (0.22 0.02 0.02) = 0.143% HB2 GLU- 75 - HB3 PRO 86 5.556% * 0.0873% (0.13 0.02 0.02) = 0.087% 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): 26 chemical-shift based assignments, quality = 0.623, support = 1.01, residual support = 3.57: O HB3 PRO 116 - HB2 PRO 116 3.846% * 70.9030% (0.66 10.0 1.00 2.96) = 70.903% kept HB2 LYS+ 117 - HB2 PRO 116 3.846% * 8.9929% (0.66 1.0 1.27 8.21) = 8.993% kept HB3 LYS+ 117 - HB2 PRO 116 3.846% * 8.5259% (0.63 1.0 1.27 8.21) = 8.526% kept HB3 GLU- 18 - HB3 LYS+ 55 3.846% * 4.6268% (0.47 1.0 0.92 0.11) = 4.627% kept HB3 ARG+ 53 - HB3 LYS+ 55 3.846% * 4.2610% (0.47 1.0 0.85 0.71) = 4.261% kept HB3 LYS+ 63 - HB3 LYS+ 55 3.846% * 0.1774% (0.83 1.0 0.02 0.02) = 0.177% HG2 PRO 31 - HB3 LYS+ 55 3.846% * 0.1712% (0.80 1.0 0.02 0.02) = 0.171% HB3 HIS+ 7 - HB3 LYS+ 55 3.846% * 0.1712% (0.80 1.0 0.02 0.02) = 0.171% HB3 PRO 116 - HB3 LYS+ 55 3.846% * 0.1678% (0.78 1.0 0.02 0.02) = 0.168% HB2 LYS+ 117 - HB3 LYS+ 55 3.846% * 0.1678% (0.78 1.0 0.02 0.02) = 0.168% HB3 LYS+ 113 - HB3 LYS+ 55 3.846% * 0.1678% (0.78 1.0 0.02 0.02) = 0.168% HB3 LYS+ 108 - HB3 LYS+ 55 3.846% * 0.1637% (0.76 1.0 0.02 0.02) = 0.164% HB3 LYS+ 117 - HB3 LYS+ 55 3.846% * 0.1591% (0.74 1.0 0.02 0.02) = 0.159% HB3 LYS+ 63 - HB2 PRO 116 3.846% * 0.1499% (0.70 1.0 0.02 0.02) = 0.150% HG2 PRO 31 - HB2 PRO 116 3.846% * 0.1447% (0.67 1.0 0.02 0.02) = 0.145% HB3 HIS+ 7 - HB2 PRO 116 3.846% * 0.1447% (0.67 1.0 0.02 0.02) = 0.145% HB3 LYS+ 44 - HB3 LYS+ 55 3.846% * 0.1420% (0.66 1.0 0.02 0.02) = 0.142% HB3 LYS+ 113 - HB2 PRO 116 3.846% * 0.1418% (0.66 1.0 0.02 0.02) = 0.142% HB3 LYS+ 108 - HB2 PRO 116 3.846% * 0.1384% (0.64 1.0 0.02 0.21) = 0.138% HB3 LYS+ 44 - HB2 PRO 116 3.846% * 0.1200% (0.56 1.0 0.02 0.02) = 0.120% HB3 GLU- 18 - HB2 PRO 116 3.846% * 0.0849% (0.40 1.0 0.02 0.02) = 0.085% HB3 ARG+ 53 - HB2 PRO 116 3.846% * 0.0849% (0.40 1.0 0.02 0.02) = 0.085% HB2 GLU- 109 - HB3 LYS+ 55 3.846% * 0.0605% (0.28 1.0 0.02 0.02) = 0.061% HB2 GLU- 109 - HB2 PRO 116 3.846% * 0.0511% (0.24 1.0 0.02 0.02) = 0.051% HD3 LYS+ 72 - HB3 LYS+ 55 3.846% * 0.0442% (0.21 1.0 0.02 0.02) = 0.044% HD3 LYS+ 72 - HB2 PRO 116 3.846% * 0.0374% (0.17 1.0 0.02 0.02) = 0.037% Peak 2055 (1.56, 1.96, 32.49 ppm): 20 chemical-shift based assignments, quality = 0.409, support = 0.21, residual support = 0.689: QG2 THR 24 - HB2 PRO 116 5.000% * 34.8917% (0.42 0.40 0.74) = 34.892% kept HB ILE 19 - HB2 PRO 116 5.000% * 15.1131% (0.35 0.21 0.02) = 15.113% kept HB ILE 19 - HB3 LYS+ 55 5.000% * 14.9442% (0.43 0.17 2.03) = 14.944% kept HB3 LEU 23 - HB2 PRO 116 5.000% * 7.1138% (0.25 0.13 1.64) = 7.114% kept HB3 LEU 90 - HB3 LYS+ 55 5.000% * 2.4634% (0.59 0.02 0.02) = 2.463% kept HB3 LEU 9 - HB3 LYS+ 55 5.000% * 2.4634% (0.59 0.02 0.02) = 2.463% kept HG13 ILE 29 - HB3 LYS+ 55 5.000% * 2.3511% (0.56 0.02 0.02) = 2.351% kept QG2 THR 24 - HB3 LYS+ 55 5.000% * 2.1559% (0.52 0.02 0.02) = 2.156% kept HD3 LYS+ 60 - HB3 LYS+ 55 5.000% * 2.0760% (0.50 0.02 0.02) = 2.076% kept HB3 LEU 9 - HB2 PRO 116 5.000% * 1.9979% (0.48 0.02 0.02) = 1.998% kept HB3 LEU 90 - HB2 PRO 116 5.000% * 1.9979% (0.48 0.02 0.18) = 1.998% kept HG13 ILE 29 - HB2 PRO 116 5.000% * 1.9068% (0.46 0.02 0.02) = 1.907% kept HG LEU 17 - HB3 LYS+ 55 5.000% * 1.8994% (0.45 0.02 0.02) = 1.899% kept HG3 LYS+ 60 - HB3 LYS+ 55 5.000% * 1.7072% (0.41 0.02 0.02) = 1.707% kept HD3 LYS+ 60 - HB2 PRO 116 5.000% * 1.6836% (0.40 0.02 0.02) = 1.684% kept HG LEU 17 - HB2 PRO 116 5.000% * 1.5404% (0.37 0.02 0.02) = 1.540% kept HG3 LYS+ 60 - HB2 PRO 116 5.000% * 1.3846% (0.33 0.02 0.02) = 1.385% kept HB3 LEU 23 - HB3 LYS+ 55 5.000% * 1.3076% (0.31 0.02 0.02) = 1.308% kept QG2 VAL 80 - HB3 LYS+ 55 5.000% * 0.5533% (0.13 0.02 0.02) = 0.553% QG2 VAL 80 - HB2 PRO 116 5.000% * 0.4488% (0.11 0.02 0.02) = 0.449% Not enough support, support cutoff is 0.22 Peak unassigned. 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 = 0.692, support = 0.957, residual support = 14.9: O HG3 LYS+ 55 - HB3 LYS+ 55 3.333% * 91.5830% (0.73 10.0 1.00 16.25) = 91.583% kept HG3 LYS+ 108 - HB2 PRO 116 3.333% * 3.5588% (0.31 1.0 0.93 0.21) = 3.559% kept HG3 LYS+ 108 - HB3 LYS+ 55 3.333% * 2.2099% (0.46 1.0 0.38 0.02) = 2.210% kept HG LEU 74 - HB3 LYS+ 55 3.333% * 0.8908% (0.28 1.0 0.26 0.02) = 0.891% HG LEU 90 - HB3 LYS+ 55 3.333% * 0.2038% (0.82 1.0 0.02 0.02) = 0.204% HB3 LYS+ 60 - HB3 LYS+ 55 3.333% * 0.2038% (0.82 1.0 0.02 0.02) = 0.204% HG LEU 74 - HB2 PRO 116 3.333% * 0.1810% (0.18 1.0 0.08 0.02) = 0.181% HD3 LYS+ 113 - HB3 LYS+ 55 3.333% * 0.1772% (0.71 1.0 0.02 0.02) = 0.177% HG LEU 90 - HB2 PRO 116 3.333% * 0.1351% (0.54 1.0 0.02 0.18) = 0.135% HB3 LYS+ 60 - HB2 PRO 116 3.333% * 0.1351% (0.54 1.0 0.02 0.02) = 0.135% HG3 LYS+ 55 - HB2 PRO 116 3.333% * 0.1214% (0.49 1.0 0.02 0.02) = 0.121% HD3 LYS+ 113 - HB2 PRO 116 3.333% * 0.1174% (0.47 1.0 0.02 0.02) = 0.117% HD3 LYS+ 44 - HB3 LYS+ 55 3.333% * 0.1156% (0.46 1.0 0.02 0.02) = 0.116% HD3 LYS+ 44 - HB2 PRO 116 3.333% * 0.0767% (0.31 1.0 0.02 0.02) = 0.077% HG LEU 74 - HB3 PRO 35 3.333% * 0.0443% (0.01 1.0 0.24 0.02) = 0.044% QG2 THR 38 - HB3 LYS+ 55 3.333% * 0.0404% (0.16 1.0 0.02 0.02) = 0.040% QB ALA 37 - HB3 LYS+ 55 3.333% * 0.0404% (0.16 1.0 0.02 0.02) = 0.040% QB ALA 42 - HB3 LYS+ 55 3.333% * 0.0315% (0.13 1.0 0.02 0.02) = 0.032% QG2 THR 38 - HB2 PRO 116 3.333% * 0.0268% (0.11 1.0 0.02 0.02) = 0.027% QB ALA 37 - HB2 PRO 116 3.333% * 0.0268% (0.11 1.0 0.02 0.02) = 0.027% QB ALA 42 - HB2 PRO 116 3.333% * 0.0209% (0.08 1.0 0.02 0.02) = 0.021% HG LEU 90 - HB3 PRO 35 3.333% * 0.0109% (0.04 1.0 0.02 0.02) = 0.011% HB3 LYS+ 60 - HB3 PRO 35 3.333% * 0.0109% (0.04 1.0 0.02 0.02) = 0.011% HG3 LYS+ 55 - HB3 PRO 35 3.333% * 0.0098% (0.04 1.0 0.02 0.02) = 0.010% HD3 LYS+ 113 - HB3 PRO 35 3.333% * 0.0095% (0.04 1.0 0.02 0.02) = 0.009% HD3 LYS+ 44 - HB3 PRO 35 3.333% * 0.0062% (0.02 1.0 0.02 0.02) = 0.006% HG3 LYS+ 108 - HB3 PRO 35 3.333% * 0.0062% (0.02 1.0 0.02 0.02) = 0.006% QB ALA 37 - HB3 PRO 35 3.333% * 0.0022% (0.01 1.0 0.02 0.78) = 0.002% QG2 THR 38 - HB3 PRO 35 3.333% * 0.0022% (0.01 1.0 0.02 0.12) = 0.002% QB ALA 42 - HB3 PRO 35 3.333% * 0.0017% (0.01 1.0 0.02 0.02) = 0.002% Peak 2058 (1.37, 1.95, 32.55 ppm): 22 chemical-shift based assignments, quality = 0.464, support = 0.787, residual support = 0.414: QG2 THR 39 - HB2 PRO 116 4.545% * 17.9886% (0.42 1.35 0.90) = 17.989% kept HB3 LYS+ 20 - HB2 PRO 116 4.545% * 15.3762% (0.53 0.91 0.12) = 15.376% kept HB2 LYS+ 20 - HB2 PRO 116 4.545% * 13.6768% (0.37 1.15 0.12) = 13.677% kept HG13 ILE 19 - HB3 LYS+ 55 4.545% * 10.3183% (0.62 0.52 2.03) = 10.318% kept HG13 ILE 19 - HB2 PRO 116 4.545% * 9.1205% (0.44 0.65 0.02) = 9.121% kept HB3 LYS+ 20 - HB3 LYS+ 55 4.545% * 8.7616% (0.75 0.37 0.02) = 8.762% kept HG3 LYS+ 20 - HB3 LYS+ 55 4.545% * 8.0257% (0.40 0.64 0.02) = 8.026% kept HB2 LYS+ 20 - HB3 LYS+ 55 4.545% * 6.4101% (0.53 0.38 0.02) = 6.410% kept HG LEU 74 - HB3 LYS+ 55 4.545% * 3.4917% (0.43 0.26 0.02) = 3.492% kept HD3 LYS+ 20 - HB3 LYS+ 55 4.545% * 2.8876% (0.14 0.64 0.02) = 2.888% kept HG LEU 74 - HB2 PRO 116 4.545% * 0.7592% (0.30 0.08 0.02) = 0.759% QB ALA 91 - HB3 LYS+ 55 4.545% * 0.4905% (0.77 0.02 0.02) = 0.490% HG2 LYS+ 78 - HB3 LYS+ 55 4.545% * 0.4650% (0.73 0.02 0.02) = 0.465% HG3 ARG+ 22 - HB3 LYS+ 55 4.545% * 0.4152% (0.65 0.02 0.02) = 0.415% QG2 THR 39 - HB3 LYS+ 55 4.545% * 0.3765% (0.59 0.02 0.02) = 0.376% QB ALA 91 - HB2 PRO 116 4.545% * 0.3479% (0.55 0.02 0.02) = 0.348% HG2 LYS+ 78 - HB2 PRO 116 4.545% * 0.3298% (0.52 0.02 0.02) = 0.330% HG3 ARG+ 22 - HB2 PRO 116 4.545% * 0.2945% (0.46 0.02 0.02) = 0.294% HG3 LYS+ 20 - HB2 PRO 116 4.545% * 0.1790% (0.28 0.02 0.12) = 0.179% HB2 LEU 17 - HB3 LYS+ 55 4.545% * 0.1293% (0.20 0.02 0.02) = 0.129% HB2 LEU 17 - HB2 PRO 116 4.545% * 0.0917% (0.14 0.02 0.02) = 0.092% HD3 LYS+ 20 - HB2 PRO 116 4.545% * 0.0644% (0.10 0.02 0.12) = 0.064% Peak 2059 (1.15, 1.90, 32.60 ppm): 24 chemical-shift based assignments, quality = 0.74, support = 0.662, residual support = 0.115: HG LEU 74 - HB3 MET 118 4.167% * 71.7339% (0.93 0.84 0.14) = 71.734% kept HB2 LEU 74 - HB3 MET 118 4.167% * 9.7680% (0.35 0.30 0.14) = 9.768% kept QB ALA 33 - HB3 MET 118 4.167% * 4.2637% (0.39 0.12 0.02) = 4.264% kept HG LEU 74 - HB3 PRO 35 4.167% * 2.8662% (0.13 0.24 0.02) = 2.866% kept HG3 LYS+ 32 - HB3 PRO 35 4.167% * 2.3957% (0.05 0.49 0.02) = 2.396% kept HG LEU 74 - HB2 PRO 116 4.167% * 1.7037% (0.24 0.08 0.02) = 1.704% kept HG3 PRO 59 - HB3 MET 118 4.167% * 1.4332% (0.78 0.02 0.02) = 1.433% kept QB ALA 33 - HB3 PRO 35 4.167% * 1.2413% (0.05 0.25 0.02) = 1.241% kept QG2 THR 106 - HB3 MET 118 4.167% * 0.8352% (0.46 0.02 0.02) = 0.835% HG3 LYS+ 32 - HB3 MET 118 4.167% * 0.7054% (0.39 0.02 0.02) = 0.705% HB3 LYS+ 66 - HB3 MET 118 4.167% * 0.5853% (0.32 0.02 0.02) = 0.585% HD3 LYS+ 111 - HB3 MET 118 4.167% * 0.5296% (0.29 0.02 0.02) = 0.530% HG3 PRO 59 - HB2 PRO 116 4.167% * 0.3624% (0.20 0.02 0.02) = 0.362% QG2 THR 106 - HB2 PRO 116 4.167% * 0.2112% (0.12 0.02 0.02) = 0.211% HG3 PRO 59 - HB3 PRO 35 4.167% * 0.2005% (0.11 0.02 0.02) = 0.201% HG3 LYS+ 32 - HB2 PRO 116 4.167% * 0.1784% (0.10 0.02 0.02) = 0.178% QB ALA 33 - HB2 PRO 116 4.167% * 0.1784% (0.10 0.02 0.02) = 0.178% HB2 LEU 74 - HB2 PRO 116 4.167% * 0.1629% (0.09 0.02 0.02) = 0.163% HB3 LYS+ 66 - HB2 PRO 116 4.167% * 0.1480% (0.08 0.02 0.02) = 0.148% HD3 LYS+ 111 - HB2 PRO 116 4.167% * 0.1339% (0.07 0.02 0.02) = 0.134% QG2 THR 106 - HB3 PRO 35 4.167% * 0.1169% (0.06 0.02 0.02) = 0.117% HB2 LEU 74 - HB3 PRO 35 4.167% * 0.0901% (0.05 0.02 0.02) = 0.090% HB3 LYS+ 66 - HB3 PRO 35 4.167% * 0.0819% (0.04 0.02 0.02) = 0.082% HD3 LYS+ 111 - HB3 PRO 35 4.167% * 0.0741% (0.04 0.02 0.02) = 0.074% Peak 2060 (0.92, 2.13, 32.57 ppm): 15 chemical-shift based assignments, quality = 0.0711, support = 2.21, residual support = 14.3: O QG2 VAL 87 - HB VAL 87 6.667% * 95.6979% (0.07 10.0 2.31 14.98) = 95.698% kept QG2 VAL 73 - HB VAL 87 6.667% * 1.3456% (0.16 1.0 0.13 0.02) = 1.346% kept HG LEU 74 - HB VAL 87 6.667% * 0.9174% (0.10 1.0 0.14 0.02) = 0.917% QD1 LEU 67 - HB VAL 87 6.667% * 0.4019% (0.07 1.0 0.09 0.02) = 0.402% QG1 VAL 47 - HB VAL 87 6.667% * 0.3407% (0.05 1.0 0.09 0.02) = 0.341% QG2 VAL 105 - HB VAL 87 6.667% * 0.3157% (0.05 1.0 0.10 0.02) = 0.316% QG2 VAL 99 - HB VAL 87 6.667% * 0.2116% (0.16 1.0 0.02 0.02) = 0.212% QD1 LEU 17 - HB VAL 87 6.667% * 0.1631% (0.12 1.0 0.02 0.02) = 0.163% QG1 VAL 105 - HB VAL 87 6.667% * 0.1550% (0.12 1.0 0.02 0.02) = 0.155% HG13 ILE 68 - HB VAL 87 6.667% * 0.1039% (0.08 1.0 0.02 0.02) = 0.104% HG12 ILE 29 - HB VAL 87 6.667% * 0.0878% (0.07 1.0 0.02 0.02) = 0.088% QG2 VAL 62 - HB VAL 87 6.667% * 0.0801% (0.06 1.0 0.02 0.02) = 0.080% QG2 ILE 29 - HB VAL 87 6.667% * 0.0659% (0.05 1.0 0.02 0.02) = 0.066% HG12 ILE 68 - HB VAL 87 6.667% * 0.0659% (0.05 1.0 0.02 0.02) = 0.066% HG3 LYS+ 63 - HB VAL 87 6.667% * 0.0475% (0.04 1.0 0.02 0.02) = 0.048% 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 = 0.117, support = 3.59, residual support = 29.9: O HN VAL 62 - HB VAL 62 8.333% * 99.2512% (0.12 10.0 3.62 30.13) = 99.251% kept HN PHE 34 - HB VAL 62 8.333% * 0.1282% (0.15 1.0 0.02 0.02) = 0.128% HN THR 95 - HB VAL 62 8.333% * 0.1229% (0.15 1.0 0.02 0.02) = 0.123% HN SER 69 - HB VAL 62 8.333% * 0.0931% (0.11 1.0 0.02 0.02) = 0.093% HN PHE 34 - HB2 PRO 112 8.333% * 0.0639% (0.08 1.0 0.02 0.02) = 0.064% HN THR 95 - HB2 PRO 112 8.333% * 0.0613% (0.07 1.0 0.02 0.02) = 0.061% HN PHE 34 - HB3 PRO 112 8.333% * 0.0531% (0.06 1.0 0.02 0.02) = 0.053% HN THR 95 - HB3 PRO 112 8.333% * 0.0509% (0.06 1.0 0.02 0.02) = 0.051% HN VAL 62 - HB2 PRO 112 8.333% * 0.0495% (0.06 1.0 0.02 0.02) = 0.049% HN SER 69 - HB2 PRO 112 8.333% * 0.0464% (0.06 1.0 0.02 0.02) = 0.046% HN VAL 62 - HB3 PRO 112 8.333% * 0.0411% (0.05 1.0 0.02 0.02) = 0.041% HN SER 69 - HB3 PRO 112 8.333% * 0.0386% (0.05 1.0 0.02 0.02) = 0.039% Peak 2063 (8.60, 2.27, 32.03 ppm): 4 chemical-shift based assignments, quality = 0.117, support = 0.02, residual support = 0.02: HN LYS+ 20 - HB2 PRO 86 25.000% * 34.9976% (0.15 0.02 0.02) = 34.998% kept HN THR 39 - HB2 PRO 86 25.000% * 24.5257% (0.11 0.02 0.02) = 24.526% kept HN VAL 80 - HB2 PRO 86 25.000% * 23.0975% (0.10 0.02 0.02) = 23.097% kept HN VAL 73 - HB2 PRO 86 25.000% * 17.3793% (0.08 0.02 0.02) = 17.379% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 2064 (4.47, 1.97, 32.15 ppm): 12 chemical-shift based assignments, quality = 0.0535, support = 0.74, residual support = 3.02: HA PRO 86 - HB2 PRO 116 8.333% * 68.2938% (0.06 1.01 4.42) = 68.294% kept HA ASN 76 - HB2 PRO 116 8.333% * 11.6176% (0.04 0.29 0.02) = 11.618% kept HA ASN 89 - HB2 PRO 116 8.333% * 7.8903% (0.04 0.16 0.02) = 7.890% kept HA VAL 73 - HB2 PRO 116 8.333% * 4.3464% (0.04 0.10 0.02) = 4.346% kept HA ALA 103 - HB2 PRO 116 8.333% * 1.4594% (0.06 0.02 0.02) = 1.459% kept HA LYS+ 32 - HB2 PRO 116 8.333% * 1.4305% (0.06 0.02 0.02) = 1.431% kept HA ILE 100 - HB2 PRO 116 8.333% * 1.2631% (0.06 0.02 0.02) = 1.263% kept HA ILE 101 - HB2 PRO 116 8.333% * 1.2109% (0.05 0.02 0.02) = 1.211% kept HA GLU- 50 - HB2 PRO 116 8.333% * 0.9172% (0.04 0.02 0.02) = 0.917% HA VAL 99 - HB2 PRO 116 8.333% * 0.6780% (0.03 0.02 0.02) = 0.678% HA CYS 123 - HB2 PRO 116 8.333% * 0.5158% (0.02 0.02 0.02) = 0.516% HA SER 77 - HB2 PRO 116 8.333% * 0.3771% (0.02 0.02 0.02) = 0.377% Not enough quality. Peak unassigned. Peak 2065 (4.46, 2.32, 32.18 ppm): 22 chemical-shift based assignments, quality = 0.679, support = 4.47, residual support = 22.3: O HA PRO 86 - HB3 PRO 86 4.545% * 60.6130% (0.80 10.0 3.97 22.81) = 60.613% kept O HA PRO 86 - HB2 PRO 86 4.545% * 36.9479% (0.49 10.0 5.54 22.81) = 36.948% kept HA ASN 89 - HB3 PRO 86 4.545% * 1.7048% (0.57 1.0 0.79 0.15) = 1.705% kept HA GLU- 50 - HB3 PRO 86 4.545% * 0.0651% (0.86 1.0 0.02 0.02) = 0.065% HA ILE 101 - HB3 PRO 86 4.545% * 0.0644% (0.85 1.0 0.02 0.02) = 0.064% HA ILE 100 - HB3 PRO 86 4.545% * 0.0634% (0.84 1.0 0.02 0.02) = 0.063% HA VAL 99 - HB3 PRO 86 4.545% * 0.0606% (0.80 1.0 0.02 0.02) = 0.061% HA LYS+ 32 - HB3 PRO 86 4.545% * 0.0570% (0.76 1.0 0.02 0.02) = 0.057% HA ALA 103 - HB3 PRO 86 4.545% * 0.0548% (0.73 1.0 0.02 0.02) = 0.055% HA VAL 73 - HB3 PRO 86 4.545% * 0.0436% (0.58 1.0 0.02 0.02) = 0.044% HA GLU- 50 - HB2 PRO 86 4.545% * 0.0397% (0.53 1.0 0.02 0.02) = 0.040% HA ILE 101 - HB2 PRO 86 4.545% * 0.0392% (0.52 1.0 0.02 0.02) = 0.039% HA ILE 100 - HB2 PRO 86 4.545% * 0.0386% (0.51 1.0 0.02 0.02) = 0.039% HA VAL 99 - HB2 PRO 86 4.545% * 0.0369% (0.49 1.0 0.02 0.02) = 0.037% HA LYS+ 32 - HB2 PRO 86 4.545% * 0.0347% (0.46 1.0 0.02 0.02) = 0.035% HA ALA 103 - HB2 PRO 86 4.545% * 0.0334% (0.44 1.0 0.02 0.02) = 0.033% HA VAL 73 - HB2 PRO 86 4.545% * 0.0266% (0.35 1.0 0.02 0.02) = 0.027% HA ASN 89 - HB2 PRO 86 4.545% * 0.0264% (0.35 1.0 0.02 0.15) = 0.026% HB THR 24 - HB3 PRO 86 4.545% * 0.0164% (0.22 1.0 0.02 0.02) = 0.016% HA LYS+ 111 - HB3 PRO 86 4.545% * 0.0146% (0.19 1.0 0.02 0.02) = 0.015% HB THR 24 - HB2 PRO 86 4.545% * 0.0100% (0.13 1.0 0.02 0.02) = 0.010% HA LYS+ 111 - HB2 PRO 86 4.545% * 0.0089% (0.12 1.0 0.02 0.02) = 0.009% Peak 2066 (4.39, 2.18, 32.14 ppm): 13 chemical-shift based assignments, quality = 0.638, support = 2.04, residual support = 6.28: T HA VAL 73 - HB3 PRO 104 7.692% * 85.6380% (0.66 10.00 1.79 4.67) = 85.638% kept HA ASN 89 - HB3 PRO 104 7.692% * 13.7009% (0.51 1.00 3.73 16.65) = 13.701% kept HA THR 24 - HB3 PRO 104 7.692% * 0.1149% (0.19 1.00 0.08 0.02) = 0.115% HA SER 88 - HB3 PRO 104 7.692% * 0.0943% (0.65 1.00 0.02 0.02) = 0.094% HA TRP 51 - HB3 PRO 104 7.692% * 0.0924% (0.64 1.00 0.02 0.02) = 0.092% HA ASN 57 - HB3 PRO 104 7.692% * 0.0747% (0.52 1.00 0.02 0.02) = 0.075% HA ALA 37 - HB3 PRO 104 7.692% * 0.0710% (0.49 1.00 0.02 0.02) = 0.071% HA LYS+ 60 - HB3 PRO 104 7.692% * 0.0632% (0.44 1.00 0.02 0.02) = 0.063% HA THR 38 - HB3 PRO 104 7.692% * 0.0514% (0.36 1.00 0.02 0.02) = 0.051% HB3 HIS+ 4 - HB3 PRO 104 7.692% * 0.0333% (0.23 1.00 0.02 0.02) = 0.033% HA2 GLY 26 - HB3 PRO 104 7.692% * 0.0244% (0.17 1.00 0.02 0.02) = 0.024% HA HIS+ 14 - HB3 PRO 104 7.692% * 0.0244% (0.17 1.00 0.02 0.02) = 0.024% HA LYS+ 117 - HB3 PRO 104 7.692% * 0.0171% (0.12 1.00 0.02 0.02) = 0.017% Peak 2067 (4.39, 1.84, 32.20 ppm): 28 chemical-shift based assignments, quality = 0.612, support = 2.61, residual support = 8.11: T HA VAL 73 - HB2 PRO 104 3.571% * 55.4778% (0.74 1.0 10.00 2.54 4.67) = 55.478% kept O T HA VAL 73 - HB VAL 73 3.571% * 32.6594% (0.43 10.0 10.00 2.61 12.59) = 32.659% kept HA ASN 89 - HB2 PRO 104 3.571% * 8.4518% (0.57 1.0 1.00 3.96 16.65) = 8.452% kept HA SER 88 - HB2 PRO 104 3.571% * 1.7567% (0.75 1.0 1.00 0.62 0.02) = 1.757% kept HA ASN 89 - HB VAL 73 3.571% * 0.7383% (0.33 1.0 1.00 0.59 0.02) = 0.738% T HA LYS+ 60 - HB2 PRO 104 3.571% * 0.3224% (0.43 1.0 10.00 0.02 0.02) = 0.322% T HA LYS+ 60 - HB VAL 73 3.571% * 0.1898% (0.25 1.0 10.00 0.02 0.02) = 0.190% HA TRP 51 - HB2 PRO 104 3.571% * 0.0511% (0.68 1.0 1.00 0.02 0.02) = 0.051% HA ASN 57 - HB2 PRO 104 3.571% * 0.0391% (0.52 1.0 1.00 0.02 0.02) = 0.039% HA ALA 37 - HB2 PRO 104 3.571% * 0.0368% (0.49 1.0 1.00 0.02 0.02) = 0.037% HA SER 88 - HB VAL 73 3.571% * 0.0332% (0.44 1.0 1.00 0.02 0.02) = 0.033% HA TRP 51 - HB VAL 73 3.571% * 0.0301% (0.40 1.0 1.00 0.02 0.02) = 0.030% HA THR 38 - HB2 PRO 104 3.571% * 0.0255% (0.34 1.0 1.00 0.02 0.02) = 0.026% HA ASN 57 - HB VAL 73 3.571% * 0.0230% (0.31 1.0 1.00 0.02 0.02) = 0.023% HA ALA 37 - HB VAL 73 3.571% * 0.0217% (0.29 1.0 1.00 0.02 0.02) = 0.022% HA THR 24 - HB2 PRO 104 3.571% * 0.0194% (0.26 1.0 1.00 0.02 0.02) = 0.019% HA HIS+ 14 - HB2 PRO 104 3.571% * 0.0176% (0.23 1.0 1.00 0.02 0.02) = 0.018% HB3 HIS+ 4 - HB2 PRO 104 3.571% * 0.0158% (0.21 1.0 1.00 0.02 0.02) = 0.016% HA THR 38 - HB VAL 73 3.571% * 0.0150% (0.20 1.0 1.00 0.02 0.86) = 0.015% HA THR 24 - HB VAL 73 3.571% * 0.0114% (0.15 1.0 1.00 0.02 0.02) = 0.011% HA2 GLY 26 - HB2 PRO 104 3.571% * 0.0113% (0.15 1.0 1.00 0.02 0.02) = 0.011% HA HIS+ 14 - HB VAL 73 3.571% * 0.0103% (0.14 1.0 1.00 0.02 0.02) = 0.010% HB3 HIS+ 4 - HB VAL 73 3.571% * 0.0093% (0.12 1.0 1.00 0.02 0.02) = 0.009% HA LYS+ 66 - HB2 PRO 104 3.571% * 0.0088% (0.12 1.0 1.00 0.02 0.02) = 0.009% HA LYS+ 117 - HB2 PRO 104 3.571% * 0.0077% (0.10 1.0 1.00 0.02 0.02) = 0.008% HA2 GLY 26 - HB VAL 73 3.571% * 0.0066% (0.09 1.0 1.00 0.02 0.02) = 0.007% HA LYS+ 66 - HB VAL 73 3.571% * 0.0052% (0.07 1.0 1.00 0.02 0.02) = 0.005% HA LYS+ 117 - HB VAL 73 3.571% * 0.0045% (0.06 1.0 1.00 0.02 0.02) = 0.005% Peak 2068 (3.86, 2.32, 32.16 ppm): 22 chemical-shift based assignments, quality = 0.485, support = 3.98, residual support = 20.4: O T HD3 PRO 86 - HB3 PRO 86 4.545% * 44.3948% (0.68 10.0 10.00 4.31 22.81) = 44.395% kept O T HD3 PRO 86 - HB2 PRO 86 4.545% * 22.6039% (0.35 10.0 10.00 4.85 22.81) = 22.604% kept O T HD2 PRO 86 - HB3 PRO 86 4.545% * 12.7618% (0.19 10.0 10.00 3.25 22.81) = 12.762% kept O T HD2 PRO 86 - HB2 PRO 86 4.545% * 6.4977% (0.10 10.0 10.00 4.85 22.81) = 6.498% kept HA VAL 87 - HB3 PRO 86 4.545% * 5.2971% (0.72 1.0 1.00 2.24 8.41) = 5.297% kept HA VAL 87 - HB2 PRO 86 4.545% * 2.6970% (0.37 1.0 1.00 2.24 8.41) = 2.697% kept HB2 SER 85 - HB3 PRO 86 4.545% * 2.0238% (0.51 1.0 1.00 1.22 2.16) = 2.024% kept HA ASN 89 - HB3 PRO 86 4.545% * 1.8228% (0.71 1.0 1.00 0.79 0.15) = 1.823% kept HB2 SER 85 - HB2 PRO 86 4.545% * 1.4377% (0.26 1.0 1.00 1.71 2.16) = 1.438% kept T HD2 PRO 116 - HB3 PRO 86 4.545% * 0.1580% (0.24 1.0 10.00 0.02 4.42) = 0.158% T HD2 PRO 116 - HB2 PRO 86 4.545% * 0.0804% (0.12 1.0 10.00 0.02 4.42) = 0.080% HB3 SER 88 - HB3 PRO 86 4.545% * 0.0502% (0.77 1.0 1.00 0.02 0.02) = 0.050% HA LYS+ 44 - HB3 PRO 86 4.545% * 0.0314% (0.48 1.0 1.00 0.02 0.02) = 0.031% HB3 SER 88 - HB2 PRO 86 4.545% * 0.0255% (0.39 1.0 1.00 0.02 0.02) = 0.026% HA ILE 48 - HB3 PRO 86 4.545% * 0.0237% (0.36 1.0 1.00 0.02 0.02) = 0.024% HA ASN 89 - HB2 PRO 86 4.545% * 0.0235% (0.36 1.0 1.00 0.02 0.15) = 0.024% HA VAL 125 - HB3 PRO 86 4.545% * 0.0192% (0.29 1.0 1.00 0.02 0.02) = 0.019% HA LYS+ 44 - HB2 PRO 86 4.545% * 0.0160% (0.24 1.0 1.00 0.02 0.02) = 0.016% HA ILE 48 - HB2 PRO 86 4.545% * 0.0121% (0.18 1.0 1.00 0.02 0.02) = 0.012% HA VAL 125 - HB2 PRO 86 4.545% * 0.0098% (0.15 1.0 1.00 0.02 0.02) = 0.010% HA VAL 13 - HB3 PRO 86 4.545% * 0.0090% (0.14 1.0 1.00 0.02 0.02) = 0.009% HA VAL 13 - HB2 PRO 86 4.545% * 0.0046% (0.07 1.0 1.00 0.02 0.02) = 0.005% Peak 2069 (3.86, 1.97, 32.17 ppm): 11 chemical-shift based assignments, quality = 0.0268, support = 1.83, residual support = 2.87: O HD2 PRO 116 - HB2 PRO 116 9.091% * 74.3897% (0.02 10.0 1.00 2.23 2.96) = 74.390% kept HD3 PRO 86 - HB2 PRO 116 9.091% * 12.0829% (0.06 1.0 1.00 1.01 4.42) = 12.083% kept HA VAL 87 - HB2 PRO 116 9.091% * 3.8210% (0.06 1.0 1.00 0.32 0.02) = 3.821% kept HD2 PRO 86 - HB2 PRO 116 9.091% * 2.9995% (0.01 1.0 1.00 1.01 4.42) = 3.000% kept HB2 SER 85 - HB2 PRO 116 9.091% * 2.5841% (0.04 1.0 1.00 0.32 0.02) = 2.584% kept HA ASN 89 - HB2 PRO 116 9.091% * 1.9662% (0.06 1.0 1.00 0.16 0.02) = 1.966% kept T HA LYS+ 44 - HB2 PRO 116 9.091% * 1.6291% (0.04 1.0 10.00 0.02 0.02) = 1.629% kept HB3 SER 88 - HB2 PRO 116 9.091% * 0.2582% (0.06 1.0 1.00 0.02 0.21) = 0.258% HA ILE 48 - HB2 PRO 116 9.091% * 0.1250% (0.03 1.0 1.00 0.02 0.02) = 0.125% HA VAL 125 - HB2 PRO 116 9.091% * 0.0913% (0.02 1.0 1.00 0.02 0.02) = 0.091% HA VAL 13 - HB2 PRO 116 9.091% * 0.0529% (0.01 1.0 1.00 0.02 0.02) = 0.053% Not enough quality. Peak unassigned. Peak 2070 (3.76, 2.18, 32.19 ppm): 6 chemical-shift based assignments, quality = 0.574, support = 3.45, residual support = 17.8: O HD3 PRO 104 - HB3 PRO 104 16.667% * 72.7803% (0.55 10.0 1.00 3.57 20.15) = 72.780% kept HA ASN 89 - HB3 PRO 104 16.667% * 15.7232% (0.63 1.0 1.00 3.73 16.65) = 15.723% kept HA ILE 48 - HB3 PRO 104 16.667% * 11.1253% (0.69 1.0 1.00 2.40 4.53) = 11.125% kept T HA LYS+ 44 - HB3 PRO 104 16.667% * 0.2256% (0.17 1.0 10.00 0.02 0.02) = 0.226% HB3 SER 27 - HB3 PRO 104 16.667% * 0.1057% (0.79 1.0 1.00 0.02 0.02) = 0.106% HA LEU 43 - HB3 PRO 104 16.667% * 0.0398% (0.30 1.0 1.00 0.02 0.02) = 0.040% Peak 2071 (3.62, 1.85, 32.26 ppm): 6 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 9.23: HA ASN 89 - HB2 PRO 104 16.667% * 44.1847% (0.57 3.96 16.65) = 44.185% kept HA ILE 48 - HB2 PRO 104 16.667% * 29.8546% (0.82 1.85 4.53) = 29.855% kept HD2 PRO 112 - HB2 PRO 104 16.667% * 22.8458% (0.91 1.28 2.27) = 22.846% kept HA ASN 89 - HB VAL 73 16.667% * 1.9223% (0.17 0.59 0.02) = 1.922% kept HA ILE 48 - HB VAL 73 16.667% * 1.0877% (0.24 0.23 0.36) = 1.088% kept HD2 PRO 112 - HB VAL 73 16.667% * 0.1050% (0.27 0.02 0.02) = 0.105% Peak 2072 (3.44, 2.06, 32.18 ppm): 9 chemical-shift based assignments, quality = 0.151, support = 2.85, residual support = 30.0: O T HA VAL 62 - HB VAL 62 11.111% * 99.6032% (0.15 10.0 10.00 2.87 30.13) = 99.603% kept HB THR 79 - HB VAL 62 11.111% * 0.0768% (0.12 1.0 1.00 0.02 0.02) = 0.077% HA VAL 80 - HB VAL 62 11.111% * 0.0768% (0.12 1.0 1.00 0.02 0.61) = 0.077% HB2 SER 69 - HB VAL 62 11.111% * 0.0730% (0.11 1.0 1.00 0.02 0.02) = 0.073% HA THR 39 - HB VAL 62 11.111% * 0.0529% (0.08 1.0 1.00 0.02 0.02) = 0.053% HA ASN 89 - HB VAL 62 11.111% * 0.0381% (0.06 1.0 1.00 0.02 0.02) = 0.038% HA1 GLY 71 - HB VAL 62 11.111% * 0.0310% (0.05 1.0 1.00 0.02 0.92) = 0.031% HD3 PRO 31 - HB VAL 62 11.111% * 0.0279% (0.04 1.0 1.00 0.02 0.02) = 0.028% HA ILE 48 - HB VAL 62 11.111% * 0.0203% (0.03 1.0 1.00 0.02 10.27) = 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): 6 chemical-shift based assignments, quality = 0.349, support = 1.56, residual support = 4.01: HB3 PRO 86 - HB2 PRO 116 16.667% * 71.1165% (0.38 1.93 4.42) = 71.117% kept HB2 PRO 86 - HB2 PRO 116 16.667% * 19.5779% (0.24 0.86 4.42) = 19.578% kept HG3 GLU- 64 - HB2 PRO 116 16.667% * 8.4385% (0.36 0.24 0.02) = 8.438% kept HA1 GLY 58 - HB2 PRO 116 16.667% * 0.3999% (0.21 0.02 0.02) = 0.400% HB2 TYR 83 - HB2 PRO 116 16.667% * 0.3655% (0.19 0.02 0.02) = 0.366% HB2 HIS+ 3 - HB2 PRO 116 16.667% * 0.1016% (0.05 0.02 0.02) = 0.102% Peak 2095 (2.18, 1.84, 32.19 ppm): 22 chemical-shift based assignments, quality = 0.475, support = 2.48, residual support = 17.4: O T HB3 PRO 104 - HB2 PRO 104 4.545% * 55.6814% (0.63 10.0 10.00 2.96 20.15) = 55.681% kept O HG2 PRO 104 - HB2 PRO 104 4.545% * 27.1030% (0.31 10.0 1.00 2.09 20.15) = 27.103% kept T HA1 GLY 58 - HB2 PRO 104 4.545% * 14.5679% (0.19 1.0 10.00 1.76 4.03) = 14.568% kept HB3 PRO 104 - HB VAL 73 4.545% * 1.9056% (0.58 1.0 1.00 0.75 4.67) = 1.906% kept T HA1 GLY 58 - HB VAL 73 4.545% * 0.1514% (0.17 1.0 10.00 0.02 0.02) = 0.151% HG2 GLN 16 - HB2 PRO 104 4.545% * 0.0556% (0.63 1.0 1.00 0.02 0.02) = 0.056% HB2 ASP- 82 - HB2 PRO 104 4.545% * 0.0527% (0.60 1.0 1.00 0.02 0.02) = 0.053% HG2 GLN 102 - HB2 PRO 104 4.545% * 0.0514% (0.58 1.0 1.00 0.02 0.02) = 0.051% HG2 GLN 16 - HB VAL 73 4.545% * 0.0507% (0.58 1.0 1.00 0.02 0.02) = 0.051% HB2 ASP- 82 - HB VAL 73 4.545% * 0.0481% (0.55 1.0 1.00 0.02 0.02) = 0.048% HG2 GLN 102 - HB VAL 73 4.545% * 0.0469% (0.53 1.0 1.00 0.02 0.02) = 0.047% HG3 GLN 16 - HB2 PRO 104 4.545% * 0.0404% (0.46 1.0 1.00 0.02 0.02) = 0.040% HG3 GLN 16 - HB VAL 73 4.545% * 0.0369% (0.42 1.0 1.00 0.02 0.02) = 0.037% HG2 MET 126 - HB2 PRO 104 4.545% * 0.0360% (0.41 1.0 1.00 0.02 0.13) = 0.036% HG2 MET 126 - HB VAL 73 4.545% * 0.0329% (0.37 1.0 1.00 0.02 0.02) = 0.033% HB2 LYS+ 113 - HB2 PRO 104 4.545% * 0.0250% (0.28 1.0 1.00 0.02 0.02) = 0.025% HG2 PRO 104 - HB VAL 73 4.545% * 0.0247% (0.28 1.0 1.00 0.02 4.67) = 0.025% HB2 LYS+ 113 - HB VAL 73 4.545% * 0.0228% (0.26 1.0 1.00 0.02 0.24) = 0.023% HB3 GLU- 75 - HB2 PRO 104 4.545% * 0.0177% (0.20 1.0 1.00 0.02 0.02) = 0.018% HG3 GLU- 54 - HB2 PRO 104 4.545% * 0.0172% (0.20 1.0 1.00 0.02 0.02) = 0.017% HB3 GLU- 75 - HB VAL 73 4.545% * 0.0162% (0.18 1.0 1.00 0.02 0.02) = 0.016% HG3 GLU- 54 - HB VAL 73 4.545% * 0.0157% (0.18 1.0 1.00 0.02 0.02) = 0.016% Peak 2097 (1.89, 1.89, 32.31 ppm): 1 diagonal assignment: HB3 MET 118 - HB3 MET 118 (0.45) kept Peak 2098 (1.85, 2.18, 32.17 ppm): 8 chemical-shift based assignments, quality = 0.731, support = 2.91, residual support = 19.8: O HB2 PRO 104 - HB3 PRO 104 12.500% * 98.2195% (0.73 10.0 2.96 20.15) = 98.220% kept HB3 LYS+ 72 - HB3 PRO 104 12.500% * 1.5221% (0.73 1.0 0.31 0.02) = 1.522% kept HB2 LYS+ 66 - HB3 PRO 104 12.500% * 0.0681% (0.51 1.0 0.02 0.02) = 0.068% HG3 PRO 112 - HB3 PRO 104 12.500% * 0.0521% (0.39 1.0 0.02 2.27) = 0.052% HB3 PRO 59 - HB3 PRO 104 12.500% * 0.0521% (0.39 1.0 0.02 0.02) = 0.052% HB2 PRO 59 - HB3 PRO 104 12.500% * 0.0338% (0.25 1.0 0.02 0.02) = 0.034% HB3 ARG+ 84 - HB3 PRO 104 12.500% * 0.0276% (0.21 1.0 0.02 0.02) = 0.028% HG3 LYS+ 120 - HB3 PRO 104 12.500% * 0.0247% (0.18 1.0 0.02 0.02) = 0.025% Peak 2101 (0.92, 2.27, 32.00 ppm): 15 chemical-shift based assignments, quality = 0.111, support = 1.79, residual support = 7.34: QG2 VAL 87 - HB2 PRO 86 6.667% * 87.2253% (0.12 2.04 8.41) = 87.225% kept HG LEU 74 - HB2 PRO 86 6.667% * 4.8682% (0.10 0.13 0.02) = 4.868% kept QG2 VAL 73 - HB2 PRO 86 6.667% * 1.2204% (0.17 0.02 0.02) = 1.220% kept QG2 VAL 99 - HB2 PRO 86 6.667% * 1.2015% (0.16 0.02 0.02) = 1.202% kept HG13 ILE 68 - HB2 PRO 86 6.667% * 0.9041% (0.12 0.02 0.02) = 0.904% QD1 LEU 67 - HB2 PRO 86 6.667% * 0.8054% (0.11 0.02 0.02) = 0.805% QG1 VAL 47 - HB2 PRO 86 6.667% * 0.7049% (0.10 0.02 0.02) = 0.705% QD1 LEU 17 - HB2 PRO 86 6.667% * 0.6550% (0.09 0.02 0.02) = 0.655% QG2 VAL 105 - HB2 PRO 86 6.667% * 0.6550% (0.09 0.02 0.02) = 0.655% QG1 VAL 105 - HB2 PRO 86 6.667% * 0.6060% (0.08 0.02 0.02) = 0.606% HG12 ILE 29 - HB2 PRO 86 6.667% * 0.2772% (0.04 0.02 0.02) = 0.277% QG2 VAL 62 - HB2 PRO 86 6.667% * 0.2464% (0.03 0.02 0.02) = 0.246% QG1 VAL 80 - HB2 PRO 86 6.667% * 0.2464% (0.03 0.02 0.02) = 0.246% HG12 ILE 68 - HB2 PRO 86 6.667% * 0.1921% (0.03 0.02 0.02) = 0.192% QG2 ILE 29 - HB2 PRO 86 6.667% * 0.1921% (0.03 0.02 0.02) = 0.192% Peak 2102 (8.59, 1.96, 31.75 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 13 chemical-shift based assignments, quality = 0.306, support = 0.302, residual support = 0.0762: HA LEU 90 - HG3 MET 118 7.692% * 55.7582% (0.35 0.46 0.12) = 55.758% kept HA ASN 89 - HG3 MET 118 7.692% * 17.7201% (0.31 0.16 0.02) = 17.720% kept HA PRO 104 - HG3 MET 118 7.692% * 9.5269% (0.31 0.09 0.02) = 9.527% kept HA ALA 91 - HG3 MET 118 7.692% * 6.3540% (0.15 0.12 0.02) = 6.354% kept HA THR 106 - HG3 MET 118 7.692% * 2.1857% (0.31 0.02 0.02) = 2.186% kept HA VAL 73 - HG3 MET 118 7.692% * 1.9355% (0.28 0.02 0.02) = 1.935% kept HA ILE 29 - HG3 MET 118 7.692% * 1.4266% (0.21 0.02 0.02) = 1.427% kept HD3 PRO 59 - HG3 MET 118 7.692% * 0.9457% (0.14 0.02 0.02) = 0.946% HA PRO 52 - HG3 MET 118 7.692% * 0.9457% (0.14 0.02 0.02) = 0.946% HA SER 85 - HG3 MET 118 7.692% * 0.9457% (0.14 0.02 0.02) = 0.946% HA VAL 65 - HG3 MET 118 7.692% * 0.7777% (0.11 0.02 0.02) = 0.778% HA PRO 112 - HG3 MET 118 7.692% * 0.7777% (0.11 0.02 0.02) = 0.778% HA ARG+ 84 - HG3 MET 118 7.692% * 0.7006% (0.10 0.02 0.02) = 0.701% Not enough total support, support cutoff is 0.44 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 = 3.15, residual support = 26.2: O T HB3 HIS+ 98 - HB2 HIS+ 98 10.000% * 95.8436% (0.37 10.0 10.00 3.26 27.32) = 95.844% kept HD3 PRO 35 - HB2 HIS+ 98 10.000% * 1.9278% (0.46 1.0 1.00 0.32 0.02) = 1.928% kept HA1 GLY 58 - HB2 HIS+ 98 10.000% * 1.8649% (0.11 1.0 1.00 1.34 0.02) = 1.865% kept HD2 ARG+ 53 - HB2 HIS+ 98 10.000% * 0.1173% (0.45 1.0 1.00 0.02 0.02) = 0.117% HB3 PHE 34 - HB2 HIS+ 98 10.000% * 0.0678% (0.26 1.0 1.00 0.02 0.02) = 0.068% HE3 LYS+ 108 - HB2 HIS+ 98 10.000% * 0.0408% (0.16 1.0 1.00 0.02 0.02) = 0.041% HE3 LYS+ 117 - HB2 HIS+ 98 10.000% * 0.0408% (0.16 1.0 1.00 0.02 0.02) = 0.041% HE3 LYS+ 72 - HB2 HIS+ 98 10.000% * 0.0369% (0.14 1.0 1.00 0.02 0.02) = 0.037% HD3 ARG+ 84 - HB2 HIS+ 98 10.000% * 0.0333% (0.13 1.0 1.00 0.02 0.02) = 0.033% HE3 LYS+ 81 - HB2 HIS+ 98 10.000% * 0.0266% (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 = 0.269, support = 3.01, residual support = 24.6: O HB2 HIS+ 98 - HB3 HIS+ 98 25.000% * 87.9716% (0.25 10.0 3.26 27.32) = 87.972% kept HG3 MET 97 - HB3 HIS+ 98 25.000% * 11.2329% (0.48 1.0 1.31 5.40) = 11.233% kept HA1 GLY 58 - HB3 HIS+ 98 25.000% * 0.6099% (0.39 1.0 0.09 0.02) = 0.610% HE3 LYS+ 60 - HB3 HIS+ 98 25.000% * 0.1856% (0.52 1.0 0.02 0.02) = 0.186% 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 = 0.259, support = 0.319, residual support = 0.11: HG3 LYS+ 110 - HG3 MET 118 10.000% * 73.2074% (0.26 0.43 0.14) = 73.207% kept HG3 LYS+ 78 - HG3 MET 118 10.000% * 4.0860% (0.31 0.02 0.02) = 4.086% kept HG2 LYS+ 110 - HG3 MET 118 10.000% * 3.5522% (0.27 0.02 0.14) = 3.552% kept HB ILE 100 - HG3 MET 118 10.000% * 3.4205% (0.26 0.02 0.02) = 3.421% kept HG12 ILE 101 - HG3 MET 118 10.000% * 3.4205% (0.26 0.02 0.02) = 3.421% kept HB2 LEU 67 - HG3 MET 118 10.000% * 3.4205% (0.26 0.02 0.02) = 3.421% kept HG LEU 23 - HG3 MET 118 10.000% * 3.1296% (0.24 0.02 0.02) = 3.130% kept HB3 LEU 17 - HG3 MET 118 10.000% * 2.8130% (0.22 0.02 0.02) = 2.813% kept HD3 LYS+ 32 - HG3 MET 118 10.000% * 2.3185% (0.18 0.02 0.02) = 2.318% kept HB3 LYS+ 32 - HG3 MET 118 10.000% * 0.6319% (0.05 0.02 0.02) = 0.632% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 2115 (1.62, 1.61, 31.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2116 (1.46, 2.02, 31.93 ppm): 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2119 (7.34, 1.87, 31.57 ppm): 16 chemical-shift based assignments, quality = 0.188, support = 3.27, residual support = 26.1: O HN ARG+ 84 - HB3 ARG+ 84 6.250% * 93.1231% (0.18 10.0 3.49 27.95) = 93.123% kept QE PHE 34 - HB3 ARG+ 84 6.250% * 3.7235% (0.45 1.0 0.33 0.02) = 3.724% kept HZ PHE 34 - HB3 GLN 16 6.250% * 1.1133% (0.14 1.0 0.30 2.14) = 1.113% kept QE PHE 34 - HB3 GLN 16 6.250% * 1.0552% (0.14 1.0 0.29 2.14) = 1.055% kept HZ2 TRP 51 - HB3 ARG+ 84 6.250% * 0.2290% (0.45 1.0 0.02 0.02) = 0.229% HZ PHE 34 - HB3 ARG+ 84 6.250% * 0.2290% (0.45 1.0 0.02 0.02) = 0.229% QD PHE 34 - HB3 ARG+ 84 6.250% * 0.1208% (0.23 1.0 0.02 0.02) = 0.121% HN VAL 47 - HB3 ARG+ 84 6.250% * 0.1020% (0.20 1.0 0.02 0.02) = 0.102% HZ2 TRP 51 - HB3 GLN 16 6.250% * 0.0731% (0.14 1.0 0.02 0.02) = 0.073% HE22 GLN 102 - HB3 ARG+ 84 6.250% * 0.0552% (0.11 1.0 0.02 0.02) = 0.055% HE ARG+ 53 - HB3 ARG+ 84 6.250% * 0.0435% (0.08 1.0 0.02 0.02) = 0.043% QD PHE 34 - HB3 GLN 16 6.250% * 0.0385% (0.07 1.0 0.02 2.14) = 0.039% HN VAL 47 - HB3 GLN 16 6.250% * 0.0325% (0.06 1.0 0.02 0.02) = 0.033% HN ARG+ 84 - HB3 GLN 16 6.250% * 0.0297% (0.06 1.0 0.02 0.14) = 0.030% HE22 GLN 102 - HB3 GLN 16 6.250% * 0.0176% (0.03 1.0 0.02 0.02) = 0.018% HE ARG+ 53 - HB3 GLN 16 6.250% * 0.0139% (0.03 1.0 0.02 0.02) = 0.014% Peak 2120 (7.33, 1.77, 31.52 ppm): 12 chemical-shift based assignments, quality = 0.167, support = 3.59, residual support = 24.5: O HN ARG+ 84 - HB2 ARG+ 84 8.333% * 87.7755% (0.17 10.0 4.01 27.95) = 87.776% kept QE PHE 34 - HB3 GLU- 18 8.333% * 4.0900% (0.16 1.0 0.98 0.02) = 4.090% kept QE PHE 34 - HB2 ARG+ 84 8.333% * 2.5148% (0.30 1.0 0.33 0.02) = 2.515% kept QD PHE 34 - HB3 GLU- 18 8.333% * 2.2114% (0.11 1.0 0.77 0.02) = 2.211% kept HZ PHE 34 - HB3 GLU- 18 8.333% * 1.8914% (0.16 1.0 0.45 0.02) = 1.891% kept HZ2 TRP 51 - HB2 ARG+ 84 8.333% * 0.5825% (0.30 1.0 0.08 0.02) = 0.583% HZ2 TRP 51 - HB3 GLU- 18 8.333% * 0.4806% (0.16 1.0 0.11 0.02) = 0.481% HZ PHE 34 - HB2 ARG+ 84 8.333% * 0.1547% (0.30 1.0 0.02 0.02) = 0.155% QD PHE 34 - HB2 ARG+ 84 8.333% * 0.1065% (0.20 1.0 0.02 0.02) = 0.106% HN VAL 47 - HB2 ARG+ 84 8.333% * 0.0940% (0.18 1.0 0.02 0.02) = 0.094% HN VAL 47 - HB3 GLU- 18 8.333% * 0.0510% (0.10 1.0 0.02 0.02) = 0.051% HN ARG+ 84 - HB3 GLU- 18 8.333% * 0.0476% (0.09 1.0 0.02 0.02) = 0.048% Peak 2121 (4.79, 1.76, 31.40 ppm): 12 chemical-shift based assignments, quality = 0.126, support = 1.37, residual support = 1.84: HA ASN 89 - HB3 GLU- 18 8.333% * 27.6049% (0.08 1.98 2.30) = 27.605% kept HA ASN 89 - HB2 ARG+ 84 8.333% * 21.0931% (0.04 3.03 5.46) = 21.093% kept HA LYS+ 113 - HB3 GLU- 18 8.333% * 20.7554% (0.30 0.39 0.17) = 20.755% kept HA LYS+ 113 - HB2 ARG+ 84 8.333% * 12.0830% (0.15 0.45 0.02) = 12.083% kept HA GLU- 107 - HB3 GLU- 18 8.333% * 8.2440% (0.13 0.35 0.16) = 8.244% kept HA GLU- 107 - HB2 ARG+ 84 8.333% * 3.9388% (0.06 0.34 0.02) = 3.939% kept HA ASN 15 - HB2 ARG+ 84 8.333% * 3.1329% (0.11 0.15 0.02) = 3.133% kept HA PRO 116 - HB3 GLU- 18 8.333% * 0.8654% (0.24 0.02 0.02) = 0.865% HA ASN 15 - HB3 GLU- 18 8.333% * 0.8223% (0.23 0.02 0.02) = 0.822% HA ASP- 115 - HB3 GLU- 18 8.333% * 0.6868% (0.19 0.02 0.02) = 0.687% HA PRO 116 - HB2 ARG+ 84 8.333% * 0.4312% (0.12 0.02 0.02) = 0.431% HA ASP- 115 - HB2 ARG+ 84 8.333% * 0.3422% (0.10 0.02 0.02) = 0.342% Not enough quality. Peak unassigned. Peak 2124 (4.29, 1.77, 31.45 ppm): 26 chemical-shift based assignments, quality = 0.147, support = 2.06, residual support = 17.1: O HA ARG+ 84 - HB2 ARG+ 84 3.846% * 55.8926% (0.11 10.0 2.22 27.95) = 55.893% kept HA ASN 89 - HB2 ARG+ 84 3.846% * 14.0174% (0.18 1.0 3.03 5.46) = 14.017% kept HA ASN 89 - HB3 GLU- 18 3.846% * 13.1162% (0.25 1.0 1.98 2.30) = 13.116% kept HA SER 85 - HB2 ARG+ 84 3.846% * 5.1970% (0.13 1.0 1.51 7.80) = 5.197% kept HA LEU 90 - HB3 GLU- 18 3.846% * 4.4209% (0.28 1.0 0.59 0.02) = 4.421% kept HA VAL 73 - HB3 GLU- 18 3.846% * 3.0573% (0.21 1.0 0.55 0.02) = 3.057% kept HA LEU 90 - HB2 ARG+ 84 3.846% * 1.5597% (0.20 1.0 0.30 0.68) = 1.560% kept HA PRO 104 - HB2 ARG+ 84 3.846% * 1.3290% (0.12 1.0 0.41 0.02) = 1.329% kept HA THR 106 - HB3 GLU- 18 3.846% * 0.1521% (0.29 1.0 0.02 0.02) = 0.152% HA THR 106 - HB2 ARG+ 84 3.846% * 0.1060% (0.20 1.0 0.02 0.02) = 0.106% HA ALA 91 - HB3 GLU- 18 3.846% * 0.1047% (0.20 1.0 0.02 0.02) = 0.105% HD3 PRO 59 - HB3 GLU- 18 3.846% * 0.0986% (0.19 1.0 0.02 0.02) = 0.099% HA SER 85 - HB3 GLU- 18 3.846% * 0.0986% (0.19 1.0 0.02 0.02) = 0.099% HA PRO 52 - HB3 GLU- 18 3.846% * 0.0986% (0.19 1.0 0.02 0.02) = 0.099% HA PRO 104 - HB3 GLU- 18 3.846% * 0.0925% (0.17 1.0 0.02 0.02) = 0.092% HA VAL 65 - HB3 GLU- 18 3.846% * 0.0863% (0.16 1.0 0.02 0.02) = 0.086% HA ARG+ 84 - HB3 GLU- 18 3.846% * 0.0802% (0.15 1.0 0.02 0.02) = 0.080% HA VAL 73 - HB2 ARG+ 84 3.846% * 0.0774% (0.15 1.0 0.02 0.02) = 0.077% HA ALA 91 - HB2 ARG+ 84 3.846% * 0.0730% (0.14 1.0 0.02 0.02) = 0.073% HA PRO 52 - HB2 ARG+ 84 3.846% * 0.0687% (0.13 1.0 0.02 0.02) = 0.069% HD3 PRO 59 - HB2 ARG+ 84 3.846% * 0.0687% (0.13 1.0 0.02 0.02) = 0.069% HA VAL 65 - HB2 ARG+ 84 3.846% * 0.0601% (0.11 1.0 0.02 0.02) = 0.060% HA ILE 29 - HB3 GLU- 18 3.846% * 0.0470% (0.09 1.0 0.02 0.02) = 0.047% HA GLU- 75 - HB3 GLU- 18 3.846% * 0.0380% (0.07 1.0 0.02 0.02) = 0.038% HA ILE 29 - HB2 ARG+ 84 3.846% * 0.0328% (0.06 1.0 0.02 0.02) = 0.033% HA GLU- 75 - HB2 ARG+ 84 3.846% * 0.0265% (0.05 1.0 0.02 0.02) = 0.026% Peak 2125 (4.27, 2.01, 31.57 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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 = 0.233, support = 1.52, residual support = 26.2: O T HD3 ARG+ 84 - HB2 ARG+ 84 8.333% * 93.7560% (0.25 10.0 10.00 1.59 27.95) = 93.756% kept T HA1 GLY 58 - HB3 GLU- 18 8.333% * 4.1835% (0.03 1.0 10.00 0.69 0.02) = 4.183% kept T HD2 ARG+ 53 - HB2 ARG+ 84 8.333% * 0.8830% (0.23 1.0 10.00 0.02 0.02) = 0.883% T HD3 ARG+ 84 - HB3 GLU- 18 8.333% * 0.3813% (0.10 1.0 10.00 0.02 0.02) = 0.381% T HD2 ARG+ 53 - HB3 GLU- 18 8.333% * 0.3591% (0.09 1.0 10.00 0.02 0.02) = 0.359% HB3 PHE 34 - HB2 ARG+ 84 8.333% * 0.1291% (0.34 1.0 1.00 0.02 0.02) = 0.129% HD3 PRO 35 - HB2 ARG+ 84 8.333% * 0.1093% (0.29 1.0 1.00 0.02 0.02) = 0.109% HB3 PHE 34 - HB3 GLU- 18 8.333% * 0.0525% (0.14 1.0 1.00 0.02 0.02) = 0.053% HB3 HIS+ 98 - HB2 ARG+ 84 8.333% * 0.0512% (0.14 1.0 1.00 0.02 0.02) = 0.051% HD3 PRO 35 - HB3 GLU- 18 8.333% * 0.0444% (0.12 1.0 1.00 0.02 0.02) = 0.044% HA1 GLY 58 - HB2 ARG+ 84 8.333% * 0.0298% (0.08 1.0 1.00 0.02 0.10) = 0.030% HB3 HIS+ 98 - HB3 GLU- 18 8.333% * 0.0208% (0.05 1.0 1.00 0.02 0.26) = 0.021% Peak 2129 (2.20, 1.77, 31.42 ppm): 32 chemical-shift based assignments, quality = 0.172, support = 1.66, residual support = 11.0: O HG3 GLU- 18 - HB3 GLU- 18 3.125% * 84.8677% (0.16 10.0 1.89 12.91) = 84.868% kept HG3 GLU- 54 - HB3 GLU- 18 3.125% * 4.2078% (0.33 1.0 0.46 0.02) = 4.208% kept HB2 LYS+ 113 - HB3 GLU- 18 3.125% * 2.5440% (0.33 1.0 0.28 0.17) = 2.544% kept HA1 GLY 58 - HB3 GLU- 18 3.125% * 2.1154% (0.11 1.0 0.69 0.02) = 2.115% kept HG2 MET 126 - HB3 GLU- 18 3.125% * 1.8770% (0.30 1.0 0.23 0.02) = 1.877% kept HB2 LYS+ 113 - HB2 ARG+ 84 3.125% * 1.5347% (0.17 1.0 0.32 0.02) = 1.535% kept HG2 GLN 16 - HB2 ARG+ 84 3.125% * 1.3832% (0.06 1.0 0.85 0.14) = 1.383% kept HG3 MET 126 - HB3 GLU- 18 3.125% * 0.1412% (0.26 1.0 0.02 0.02) = 0.141% HG3 GLU- 109 - HB3 GLU- 18 3.125% * 0.1269% (0.23 1.0 0.02 0.02) = 0.127% HB2 GLU- 50 - HB3 GLU- 18 3.125% * 0.1046% (0.19 1.0 0.02 0.10) = 0.105% HG3 GLU- 107 - HB3 GLU- 18 3.125% * 0.0972% (0.18 1.0 0.02 0.16) = 0.097% HG3 GLU- 54 - HB2 ARG+ 84 3.125% * 0.0946% (0.17 1.0 0.02 0.02) = 0.095% HG2 MET 126 - HB2 ARG+ 84 3.125% * 0.0856% (0.15 1.0 0.02 0.02) = 0.086% HG3 MET 126 - HB2 ARG+ 84 3.125% * 0.0729% (0.13 1.0 0.02 0.02) = 0.073% HB3 PRO 104 - HB3 GLU- 18 3.125% * 0.0693% (0.13 1.0 0.02 0.02) = 0.069% HG3 GLU- 109 - HB2 ARG+ 84 3.125% * 0.0655% (0.12 1.0 0.02 0.02) = 0.066% HG2 GLN 16 - HB3 GLU- 18 3.125% * 0.0630% (0.11 1.0 0.02 0.88) = 0.063% HG3 MET 118 - HB3 GLU- 18 3.125% * 0.0630% (0.11 1.0 0.02 0.02) = 0.063% HB2 GLU- 50 - HB2 ARG+ 84 3.125% * 0.0540% (0.10 1.0 0.02 0.02) = 0.054% HG3 GLU- 107 - HB2 ARG+ 84 3.125% * 0.0502% (0.09 1.0 0.02 0.02) = 0.050% HG3 GLU- 18 - HB2 ARG+ 84 3.125% * 0.0464% (0.08 1.0 0.02 0.02) = 0.046% HB3 PRO 52 - HB3 GLU- 18 3.125% * 0.0461% (0.08 1.0 0.02 0.02) = 0.046% HB2 ASP- 82 - HB3 GLU- 18 3.125% * 0.0411% (0.07 1.0 0.02 0.02) = 0.041% HG2 GLN 102 - HB3 GLU- 18 3.125% * 0.0366% (0.07 1.0 0.02 0.60) = 0.037% HB3 PRO 104 - HB2 ARG+ 84 3.125% * 0.0358% (0.06 1.0 0.02 0.02) = 0.036% HG3 MET 118 - HB2 ARG+ 84 3.125% * 0.0325% (0.06 1.0 0.02 0.02) = 0.033% HB3 GLU- 75 - HB3 GLU- 18 3.125% * 0.0317% (0.06 1.0 0.02 0.02) = 0.032% HA1 GLY 58 - HB2 ARG+ 84 3.125% * 0.0316% (0.06 1.0 0.02 0.10) = 0.032% HB3 PRO 52 - HB2 ARG+ 84 3.125% * 0.0238% (0.04 1.0 0.02 0.02) = 0.024% HB2 ASP- 82 - HB2 ARG+ 84 3.125% * 0.0212% (0.04 1.0 0.02 0.48) = 0.021% HG2 GLN 102 - HB2 ARG+ 84 3.125% * 0.0189% (0.03 1.0 0.02 0.02) = 0.019% HB3 GLU- 75 - HB2 ARG+ 84 3.125% * 0.0163% (0.03 1.0 0.02 0.02) = 0.016% Peak 2130 (2.05, 1.77, 31.43 ppm): 28 chemical-shift based assignments, quality = 0.111, support = 0.248, residual support = 0.038: T HG3 PRO 86 - HB2 ARG+ 84 3.571% * 24.6317% (0.17 10.00 0.22 0.02) = 24.632% kept T HB3 PRO 31 - HB3 GLU- 18 3.571% * 22.7567% (0.09 10.00 0.38 0.10) = 22.757% kept T HB2 PRO 112 - HB3 GLU- 18 3.571% * 11.7982% (0.06 10.00 0.28 0.02) = 11.798% kept T HB3 PRO 112 - HB3 GLU- 18 3.571% * 9.1987% (0.05 10.00 0.28 0.02) = 9.199% kept T HB2 PRO 112 - HB2 ARG+ 84 3.571% * 7.5652% (0.04 10.00 0.32 0.02) = 7.565% kept T HB3 PRO 112 - HB2 ARG+ 84 3.571% * 5.8984% (0.03 10.00 0.32 0.02) = 5.898% kept T HB VAL 62 - HB3 GLU- 18 3.571% * 4.1417% (0.32 10.00 0.02 0.02) = 4.142% kept T HB3 LYS+ 110 - HB3 GLU- 18 3.571% * 3.4364% (0.26 10.00 0.02 0.02) = 3.436% kept T HB VAL 62 - HB2 ARG+ 84 3.571% * 2.2731% (0.17 10.00 0.02 0.02) = 2.273% kept T HB3 LYS+ 110 - HB2 ARG+ 84 3.571% * 1.8861% (0.14 10.00 0.02 0.02) = 1.886% kept HG3 ARG+ 53 - HB3 GLU- 18 3.571% * 1.6554% (0.12 1.00 0.21 0.02) = 1.655% kept T HG3 ARG+ 53 - HB2 ARG+ 84 3.571% * 0.8840% (0.07 10.00 0.02 0.02) = 0.884% T HB3 PRO 31 - HB2 ARG+ 84 3.571% * 0.6549% (0.05 10.00 0.02 0.02) = 0.655% HB3 GLU- 10 - HB3 GLU- 18 3.571% * 0.4282% (0.33 1.00 0.02 0.02) = 0.428% HB2 GLU- 45 - HB3 GLU- 18 3.571% * 0.4207% (0.32 1.00 0.02 0.02) = 0.421% HG3 PRO 86 - HB3 GLU- 18 3.571% * 0.4142% (0.32 1.00 0.02 0.02) = 0.414% HB3 GLU- 75 - HB3 GLU- 18 3.571% * 0.2985% (0.23 1.00 0.02 0.02) = 0.298% HB3 GLU- 107 - HB3 GLU- 18 3.571% * 0.2776% (0.21 1.00 0.02 0.16) = 0.278% HB3 GLU- 10 - HB2 ARG+ 84 3.571% * 0.2350% (0.18 1.00 0.02 0.02) = 0.235% HB2 GLU- 45 - HB2 ARG+ 84 3.571% * 0.2309% (0.18 1.00 0.02 0.02) = 0.231% HB3 GLU- 45 - HB3 GLU- 18 3.571% * 0.2089% (0.16 1.00 0.02 0.02) = 0.209% HB3 GLU- 75 - HB2 ARG+ 84 3.571% * 0.1638% (0.12 1.00 0.02 0.02) = 0.164% HB3 GLU- 107 - HB2 ARG+ 84 3.571% * 0.1524% (0.12 1.00 0.02 0.02) = 0.152% HB2 LYS+ 44 - HB3 GLU- 18 3.571% * 0.1193% (0.09 1.00 0.02 0.02) = 0.119% HB3 GLU- 45 - HB2 ARG+ 84 3.571% * 0.1146% (0.09 1.00 0.02 0.02) = 0.115% HB2 LYS+ 44 - HB2 ARG+ 84 3.571% * 0.0655% (0.05 1.00 0.02 0.02) = 0.065% HG2 PRO 116 - HB3 GLU- 18 3.571% * 0.0581% (0.04 1.00 0.02 0.02) = 0.058% HG2 PRO 116 - HB2 ARG+ 84 3.571% * 0.0319% (0.02 1.00 0.02 0.02) = 0.032% Not enough quality. Peak unassigned. Peak 2132 (1.78, 2.01, 31.43 ppm): 15 chemical-shift based assignments, quality = 0.247, support = 0.958, residual support = 12.3: O HB3 GLU- 18 - HB2 GLU- 18 6.667% * 95.1448% (0.25 10.0 1.00 12.91) = 95.145% kept HG2 PRO 31 - HB2 GLU- 18 6.667% * 2.8473% (0.33 1.0 0.23 0.10) = 2.847% kept HB3 PRO 116 - HB2 GLU- 18 6.667% * 0.2490% (0.33 1.0 0.02 0.02) = 0.249% HB3 LYS+ 63 - HB2 GLU- 18 6.667% * 0.2355% (0.31 1.0 0.02 0.02) = 0.236% HB3 HIS+ 7 - HB2 GLU- 18 6.667% * 0.2080% (0.27 1.0 0.02 0.02) = 0.208% HB3 LYS+ 113 - HB2 GLU- 18 6.667% * 0.1994% (0.26 1.0 0.02 0.17) = 0.199% HB2 LYS+ 117 - HB2 GLU- 18 6.667% * 0.1994% (0.26 1.0 0.02 0.02) = 0.199% HB3 LYS+ 108 - HB2 GLU- 18 6.667% * 0.1903% (0.25 1.0 0.02 0.02) = 0.190% HB3 ARG+ 53 - HB2 GLU- 18 6.667% * 0.1903% (0.25 1.0 0.02 0.02) = 0.190% HB3 LYS+ 117 - HB2 GLU- 18 6.667% * 0.1808% (0.24 1.0 0.02 0.02) = 0.181% HB3 LYS+ 44 - HB2 GLU- 18 6.667% * 0.1510% (0.20 1.0 0.02 0.02) = 0.151% HB2 ARG+ 84 - HB2 GLU- 18 6.667% * 0.0621% (0.08 1.0 0.02 0.02) = 0.062% HB2 GLU- 109 - HB2 GLU- 18 6.667% * 0.0493% (0.06 1.0 0.02 0.02) = 0.049% HB2 HIS+ 7 - HB2 GLU- 18 6.667% * 0.0493% (0.06 1.0 0.02 0.02) = 0.049% HB VAL 94 - HB2 GLU- 18 6.667% * 0.0436% (0.06 1.0 0.02 0.02) = 0.044% Peak 2133 (1.12, 4.36, 72.96 ppm): 7 chemical-shift based assignments, quality = 0.23, support = 1.8, residual support = 14.8: O QG2 THR 61 - HB THR 61 14.286% * 91.7622% (0.22 10.0 1.90 16.14) = 91.762% kept HG LEU 74 - HB THR 61 14.286% * 6.1107% (0.34 1.0 0.82 0.36) = 6.111% kept QG2 THR 96 - HB THR 61 14.286% * 1.7659% (0.34 1.0 0.24 0.02) = 1.766% kept HD3 LYS+ 111 - HB THR 61 14.286% * 0.1193% (0.27 1.0 0.02 0.02) = 0.119% QB ALA 33 - HB THR 61 14.286% * 0.1024% (0.24 1.0 0.02 0.02) = 0.102% HG3 LYS+ 32 - HB THR 61 14.286% * 0.1024% (0.24 1.0 0.02 0.02) = 0.102% QG2 THR 79 - HB THR 61 14.286% * 0.0372% (0.09 1.0 0.02 0.02) = 0.037% Peak 2134 (0.96, 4.36, 72.99 ppm): 8 chemical-shift based assignments, quality = 0.235, support = 1.19, residual support = 6.18: QG2 VAL 62 - HB THR 61 12.500% * 46.1360% (0.21 1.74 11.80) = 46.136% kept HG LEU 74 - HB THR 61 12.500% * 28.0498% (0.26 0.82 0.36) = 28.050% kept HG3 LYS+ 63 - HB THR 61 12.500% * 23.6680% (0.28 0.66 2.68) = 23.668% kept HG12 ILE 68 - HB THR 61 12.500% * 0.6058% (0.23 0.02 0.02) = 0.606% QG2 ILE 29 - HB THR 61 12.500% * 0.6058% (0.23 0.02 0.02) = 0.606% HG12 ILE 29 - HB THR 61 12.500% * 0.4927% (0.19 0.02 0.02) = 0.493% QG1 VAL 105 - HB THR 61 12.500% * 0.2335% (0.09 0.02 0.02) = 0.234% QD1 LEU 17 - HB THR 61 12.500% * 0.2085% (0.08 0.02 0.02) = 0.208% Peak 2135 (0.83, 1.77, 31.44 ppm): 28 chemical-shift based assignments, quality = 0.202, support = 1.25, residual support = 6.19: QD2 LEU 17 - HB3 GLU- 18 3.571% * 41.3563% (0.25 1.98 14.21) = 41.356% kept HG LEU 74 - HB3 GLU- 18 3.571% * 15.1180% (0.12 1.51 1.47) = 15.118% kept HG2 LYS+ 113 - HB3 GLU- 18 3.571% * 14.4654% (0.31 0.54 0.17) = 14.465% kept QD2 LEU 17 - HB2 ARG+ 84 3.571% * 9.7857% (0.13 0.86 0.13) = 9.786% kept HG3 LYS+ 113 - HB3 GLU- 18 3.571% * 3.9559% (0.28 0.17 0.17) = 3.956% kept HG LEU 74 - HB2 ARG+ 84 3.571% * 3.6944% (0.06 0.68 1.15) = 3.694% kept HG2 LYS+ 113 - HB2 ARG+ 84 3.571% * 2.8618% (0.17 0.20 0.02) = 2.862% kept HG3 LYS+ 113 - HB2 ARG+ 84 3.571% * 2.5139% (0.15 0.20 0.02) = 2.514% kept QD1 ILE 29 - HB2 ARG+ 84 3.571% * 1.5706% (0.16 0.11 0.02) = 1.571% kept QG1 VAL 13 - HB3 GLU- 18 3.571% * 0.5409% (0.32 0.02 0.02) = 0.541% QD1 ILE 29 - HB3 GLU- 18 3.571% * 0.5163% (0.30 0.02 0.02) = 0.516% QG1 VAL 94 - HB3 GLU- 18 3.571% * 0.5163% (0.30 0.02 0.02) = 0.516% QD2 LEU 90 - HB3 GLU- 18 3.571% * 0.3530% (0.21 0.02 0.02) = 0.353% QG2 VAL 13 - HB3 GLU- 18 3.571% * 0.3310% (0.19 0.02 0.02) = 0.331% QG1 VAL 13 - HB2 ARG+ 84 3.571% * 0.2942% (0.17 0.02 0.02) = 0.294% HG2 LYS+ 117 - HB3 GLU- 18 3.571% * 0.2871% (0.17 0.02 0.02) = 0.287% QG1 VAL 94 - HB2 ARG+ 84 3.571% * 0.2808% (0.16 0.02 0.02) = 0.281% QD2 LEU 67 - HB3 GLU- 18 3.571% * 0.2048% (0.12 0.02 0.02) = 0.205% HG3 LYS+ 117 - HB3 GLU- 18 3.571% * 0.2048% (0.12 0.02 0.02) = 0.205% QD2 LEU 90 - HB2 ARG+ 84 3.571% * 0.1920% (0.11 0.02 0.68) = 0.192% QG2 VAL 13 - HB2 ARG+ 84 3.571% * 0.1800% (0.11 0.02 0.02) = 0.180% HG2 LYS+ 117 - HB2 ARG+ 84 3.571% * 0.1562% (0.09 0.02 0.02) = 0.156% HB ILE 101 - HB3 GLU- 18 3.571% * 0.1361% (0.08 0.02 0.02) = 0.136% QB ALA 93 - HB3 GLU- 18 3.571% * 0.1215% (0.07 0.02 0.02) = 0.122% QD2 LEU 67 - HB2 ARG+ 84 3.571% * 0.1114% (0.07 0.02 0.22) = 0.111% HG3 LYS+ 117 - HB2 ARG+ 84 3.571% * 0.1114% (0.07 0.02 0.02) = 0.111% HB ILE 101 - HB2 ARG+ 84 3.571% * 0.0740% (0.04 0.02 0.02) = 0.074% QB ALA 93 - HB2 ARG+ 84 3.571% * 0.0661% (0.04 0.02 0.02) = 0.066% 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 = 3.8, residual support = 19.8: O HN VAL 40 - HB VAL 40 33.333% * 98.9843% (0.36 10.0 3.84 19.99) = 98.984% kept HN ILE 101 - HB VAL 40 33.333% * 0.8887% (0.44 1.0 0.15 0.02) = 0.889% HN GLU- 56 - HB VAL 40 33.333% * 0.1270% (0.46 1.0 0.02 0.02) = 0.127% Peak 2138 (8.19, 1.72, 31.20 ppm): 9 chemical-shift based assignments, quality = 0.883, support = 0.969, residual support = 3.94: HN ALA 33 - HB2 GLN 16 11.111% * 58.0926% (0.97 1.34 6.44) = 58.093% kept HN ASN 119 - HB2 GLN 16 11.111% * 21.3432% (0.96 0.50 0.85) = 21.343% kept HN LYS+ 120 - HB2 GLN 16 11.111% * 14.9731% (0.67 0.50 0.15) = 14.973% kept HN VAL 94 - HB2 GLN 16 11.111% * 2.4838% (0.24 0.23 0.02) = 2.484% kept HN ALA 11 - HB2 GLN 16 11.111% * 1.5133% (0.40 0.08 0.02) = 1.513% kept HN LYS+ 117 - HB2 GLN 16 11.111% * 0.7783% (0.88 0.02 0.02) = 0.778% HN GLU- 45 - HB2 GLN 16 11.111% * 0.4224% (0.48 0.02 0.02) = 0.422% HN VAL 105 - HB2 GLN 16 11.111% * 0.2413% (0.27 0.02 0.02) = 0.241% HN SER 41 - HB2 GLN 16 11.111% * 0.1520% (0.17 0.02 0.02) = 0.152% Peak 2140 (7.33, 2.15, 31.04 ppm): 6 chemical-shift based assignments, quality = 0.247, support = 3.96, residual support = 33.7: O HN VAL 47 - HB VAL 47 16.667% * 93.4322% (0.25 10.0 4.20 36.12) = 93.432% kept QD PHE 34 - HB VAL 47 16.667% * 3.1241% (0.26 1.0 0.62 0.02) = 3.124% kept HZ PHE 34 - HB VAL 47 16.667% * 1.9998% (0.28 1.0 0.38 0.02) = 2.000% kept HN ARG+ 84 - HB VAL 47 16.667% * 1.2323% (0.24 1.0 0.28 0.02) = 1.232% kept HZ2 TRP 51 - HB VAL 47 16.667% * 0.1058% (0.28 1.0 0.02 2.88) = 0.106% QE PHE 34 - HB VAL 47 16.667% * 0.1058% (0.28 1.0 0.02 0.02) = 0.106% Peak 2141 (4.71, 1.72, 31.19 ppm): 6 chemical-shift based assignments, quality = 0.41, support = 2.09, residual support = 6.65: O HA GLN 16 - HB2 GLN 16 16.667% * 89.5393% (0.40 10.0 2.24 7.40) = 89.539% kept HA ASN 89 - HB2 GLN 16 16.667% * 4.0268% (0.33 1.0 1.10 0.02) = 4.027% kept HA2 GLY 30 - HB2 GLN 16 16.667% * 3.5492% (0.87 1.0 0.36 0.02) = 3.549% kept HA ASN 119 - HB2 GLN 16 16.667% * 2.6709% (0.27 1.0 0.88 0.85) = 2.671% kept HA PRO 31 - HB2 GLN 16 16.667% * 0.1321% (0.59 1.0 0.02 0.02) = 0.132% HA THR 61 - HB2 GLN 16 16.667% * 0.0817% (0.37 1.0 0.02 0.02) = 0.082% Peak 2142 (4.69, 1.89, 31.14 ppm): 18 chemical-shift based assignments, quality = 0.869, support = 2.73, residual support = 7.26: O HA GLN 16 - HB3 GLN 16 5.556% * 98.0645% (0.88 10.0 2.77 7.40) = 98.065% kept HA ASN 89 - HB3 GLN 16 5.556% * 1.2646% (0.32 1.0 0.71 0.02) = 1.265% kept HA ASN 89 - HB3 GLN 102 5.556% * 0.2980% (0.03 1.0 1.72 3.02) = 0.298% HA THR 61 - HB3 GLN 16 5.556% * 0.0966% (0.87 1.0 0.02 0.02) = 0.097% HA ASN 119 - HB3 GLN 16 5.556% * 0.0897% (0.81 1.0 0.02 0.85) = 0.090% HA TYR 83 - HB3 GLN 16 5.556% * 0.0487% (0.44 1.0 0.02 0.58) = 0.049% HA2 GLY 30 - HB3 GLN 16 5.556% * 0.0278% (0.25 1.0 0.02 0.02) = 0.028% HA GLN 16 - HB3 GLU- 56 5.556% * 0.0185% (0.17 1.0 0.02 0.02) = 0.018% HA THR 61 - HB3 GLU- 56 5.556% * 0.0182% (0.16 1.0 0.02 0.02) = 0.018% HA ASN 119 - HB3 GLU- 56 5.556% * 0.0169% (0.15 1.0 0.02 0.02) = 0.017% HA GLN 16 - HB3 GLN 102 5.556% * 0.0096% (0.09 1.0 0.02 0.02) = 0.010% HA THR 61 - HB3 GLN 102 5.556% * 0.0094% (0.08 1.0 0.02 0.02) = 0.009% HA TYR 83 - HB3 GLU- 56 5.556% * 0.0092% (0.08 1.0 0.02 0.02) = 0.009% HA ASN 119 - HB3 GLN 102 5.556% * 0.0088% (0.08 1.0 0.02 0.02) = 0.009% HA ASN 89 - HB3 GLU- 56 5.556% * 0.0067% (0.06 1.0 0.02 0.02) = 0.007% HA2 GLY 30 - HB3 GLU- 56 5.556% * 0.0052% (0.05 1.0 0.02 0.02) = 0.005% HA TYR 83 - HB3 GLN 102 5.556% * 0.0048% (0.04 1.0 0.02 0.02) = 0.005% HA2 GLY 30 - HB3 GLN 102 5.556% * 0.0027% (0.02 1.0 0.02 0.02) = 0.003% Peak 2143 (4.26, 2.48, 31.16 ppm): 19 chemical-shift based assignments, quality = 0.544, support = 0.564, residual support = 0.0196: HA HIS+ 4 - HB VAL 40 5.263% * 57.1118% (0.60 0.86 0.02) = 57.112% kept HA PRO 59 - HB VAL 40 5.263% * 16.6659% (0.45 0.33 0.02) = 16.666% kept HA ASN 89 - HB VAL 40 5.263% * 6.3286% (0.67 0.08 0.02) = 6.329% kept HA HIS+ 8 - HB VAL 40 5.263% * 4.8550% (0.21 0.21 0.02) = 4.855% kept HA GLU- 75 - HB VAL 40 5.263% * 1.6470% (0.74 0.02 0.02) = 1.647% kept HA GLU- 56 - HB VAL 40 5.263% * 1.6037% (0.72 0.02 0.02) = 1.604% kept HA2 GLY 114 - HB VAL 40 5.263% * 1.4903% (0.67 0.02 0.02) = 1.490% kept HA ARG+ 84 - HB VAL 40 5.263% * 1.3306% (0.60 0.02 0.02) = 1.331% kept HA VAL 65 - HB VAL 40 5.263% * 1.2699% (0.57 0.02 0.02) = 1.270% kept HA PRO 52 - HB VAL 40 5.263% * 1.1415% (0.51 0.02 0.02) = 1.141% kept HA SER 85 - HB VAL 40 5.263% * 1.1415% (0.51 0.02 0.02) = 1.141% kept HD3 PRO 59 - HB VAL 40 5.263% * 1.1415% (0.51 0.02 0.02) = 1.141% kept HA LYS+ 108 - HB VAL 40 5.263% * 1.0750% (0.48 0.02 0.02) = 1.075% kept HA ALA 91 - HB VAL 40 5.263% * 1.0750% (0.48 0.02 0.02) = 1.075% kept HA VAL 73 - HB VAL 40 5.263% * 0.9428% (0.42 0.02 0.02) = 0.943% HA THR 106 - HB VAL 40 5.263% * 0.3700% (0.17 0.02 0.02) = 0.370% HA GLU- 54 - HB VAL 40 5.263% * 0.3289% (0.15 0.02 0.02) = 0.329% HA SER 49 - HB VAL 40 5.263% * 0.2564% (0.11 0.02 0.02) = 0.256% HA GLU- 18 - HB VAL 40 5.263% * 0.2249% (0.10 0.02 0.02) = 0.225% Peak 2144 (2.21, 1.74, 31.32 ppm): 28 chemical-shift based assignments, quality = 0.173, support = 1.55, residual support = 9.15: O HG3 GLU- 18 - HB3 GLU- 18 3.571% * 69.7445% (0.12 10.0 1.89 12.91) = 69.745% kept HG3 GLU- 18 - HB2 GLN 16 3.571% * 11.7165% (0.48 1.0 0.79 0.88) = 11.716% kept HA1 GLY 58 - HB2 GLN 16 3.571% * 8.2140% (0.18 1.0 1.45 0.59) = 8.214% kept HG3 MET 118 - HB2 GLN 16 3.571% * 3.8850% (0.42 1.0 0.30 0.02) = 3.885% kept HG3 GLU- 54 - HB3 GLU- 18 3.571% * 1.4731% (0.10 1.0 0.46 0.02) = 1.473% kept HA1 GLY 58 - HB3 GLU- 18 3.571% * 0.9725% (0.05 1.0 0.69 0.02) = 0.972% HB2 LYS+ 113 - HB3 GLU- 18 3.571% * 0.7195% (0.08 1.0 0.28 0.17) = 0.720% HG2 MET 126 - HB3 GLU- 18 3.571% * 0.4066% (0.06 1.0 0.23 0.02) = 0.407% HG3 GLU- 109 - HB2 GLN 16 3.571% * 0.3210% (0.52 1.0 0.02 0.02) = 0.321% HG3 MET 126 - HB2 GLN 16 3.571% * 0.3210% (0.52 1.0 0.02 0.02) = 0.321% HB2 GLU- 50 - HB2 GLN 16 3.571% * 0.3104% (0.50 1.0 0.02 0.02) = 0.310% HG3 GLU- 107 - HB2 GLN 16 3.571% * 0.3043% (0.49 1.0 0.02 0.02) = 0.304% HG3 GLU- 54 - HB2 GLN 16 3.571% * 0.2576% (0.42 1.0 0.02 0.02) = 0.258% HB3 PRO 52 - HB2 GLN 16 3.571% * 0.2210% (0.36 1.0 0.02 0.02) = 0.221% HB2 LYS+ 113 - HB2 GLN 16 3.571% * 0.2081% (0.34 1.0 0.02 0.02) = 0.208% HG2 MET 126 - HB2 GLN 16 3.571% * 0.1442% (0.23 1.0 0.02 0.02) = 0.144% HG3 GLU- 75 - HB2 GLN 16 3.571% * 0.1442% (0.23 1.0 0.02 0.02) = 0.144% HG3 GLU- 109 - HB3 GLU- 18 3.571% * 0.0799% (0.13 1.0 0.02 0.02) = 0.080% HG3 MET 126 - HB3 GLU- 18 3.571% * 0.0799% (0.13 1.0 0.02 0.02) = 0.080% HB2 GLU- 50 - HB3 GLU- 18 3.571% * 0.0773% (0.13 1.0 0.02 0.10) = 0.077% HG3 GLU- 107 - HB3 GLU- 18 3.571% * 0.0757% (0.12 1.0 0.02 0.16) = 0.076% HG3 GLU- 10 - HB2 GLN 16 3.571% * 0.0716% (0.12 1.0 0.02 0.02) = 0.072% HG3 MET 118 - HB3 GLU- 18 3.571% * 0.0641% (0.10 1.0 0.02 0.02) = 0.064% HG2 GLU- 56 - HB2 GLN 16 3.571% * 0.0637% (0.10 1.0 0.02 0.02) = 0.064% HB3 PRO 52 - HB3 GLU- 18 3.571% * 0.0550% (0.09 1.0 0.02 0.02) = 0.055% HG3 GLU- 75 - HB3 GLU- 18 3.571% * 0.0359% (0.06 1.0 0.02 0.02) = 0.036% HG3 GLU- 10 - HB3 GLU- 18 3.571% * 0.0178% (0.03 1.0 0.02 0.02) = 0.018% HG2 GLU- 56 - HB3 GLU- 18 3.571% * 0.0158% (0.03 1.0 0.02 0.02) = 0.016% 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): 12 chemical-shift based assignments, quality = 0.525, support = 0.321, residual support = 0.314: HB2 ARG+ 84 - HB3 GLN 16 8.333% * 47.6394% (0.70 0.33 0.14) = 47.639% kept HB3 GLU- 18 - HB3 GLN 16 8.333% * 27.8088% (0.29 0.46 0.88) = 27.809% kept HB3 GLU- 50 - HB3 GLN 16 8.333% * 16.1756% (0.35 0.22 0.02) = 16.176% kept HB VAL 94 - HB3 GLN 16 8.333% * 3.1302% (0.76 0.02 0.02) = 3.130% kept HB2 HIS+ 7 - HB3 GLN 16 8.333% * 3.0682% (0.74 0.02 0.02) = 3.068% kept HB3 ARG+ 53 - HB3 GLN 16 8.333% * 1.2173% (0.29 0.02 0.02) = 1.217% kept HB VAL 94 - HB3 GLN 102 8.333% * 0.2313% (0.06 0.02 0.02) = 0.231% HB2 HIS+ 7 - HB3 GLN 102 8.333% * 0.2267% (0.05 0.02 0.02) = 0.227% HB2 ARG+ 84 - HB3 GLN 102 8.333% * 0.2150% (0.05 0.02 0.02) = 0.215% HB3 GLU- 50 - HB3 GLN 102 8.333% * 0.1075% (0.03 0.02 0.02) = 0.107% HB3 GLU- 18 - HB3 GLN 102 8.333% * 0.0900% (0.02 0.02 0.60) = 0.090% HB3 ARG+ 53 - HB3 GLN 102 8.333% * 0.0900% (0.02 0.02 0.02) = 0.090% Not enough total support, support cutoff is 0.44 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): 18 chemical-shift based assignments, quality = 0.116, support = 0.977, residual support = 0.939: HG LEU 74 - HB2 GLN 16 5.556% * 25.1457% (0.07 1.33 0.71) = 25.146% kept QG2 THR 24 - HB2 GLN 16 5.556% * 24.7023% (0.08 1.30 0.73) = 24.702% kept HG LEU 74 - HB3 GLU- 18 5.556% * 17.7006% (0.05 1.51 1.47) = 17.701% kept HB3 LEU 23 - HB2 GLN 16 5.556% * 15.9810% (0.19 0.33 1.98) = 15.981% kept HG LEU 9 - HB2 GLN 16 5.556% * 2.1337% (0.42 0.02 0.02) = 2.134% kept HG LEU 43 - HB2 GLN 16 5.556% * 2.0591% (0.41 0.02 0.02) = 2.059% kept QG2 VAL 80 - HB2 GLN 16 5.556% * 1.7430% (0.34 0.02 0.02) = 1.743% kept HG3 LYS+ 72 - HB2 GLN 16 5.556% * 1.4952% (0.30 0.02 0.02) = 1.495% kept HG LEU 9 - HB3 GLU- 18 5.556% * 1.3254% (0.26 0.02 0.02) = 1.325% kept HG LEU 43 - HB3 GLU- 18 5.556% * 1.2791% (0.25 0.02 0.02) = 1.279% kept HB2 LYS+ 72 - HB2 GLN 16 5.556% * 1.2324% (0.24 0.02 0.02) = 1.232% kept QG2 VAL 80 - HB3 GLU- 18 5.556% * 1.0828% (0.21 0.02 0.02) = 1.083% kept HD3 LYS+ 108 - HB2 GLN 16 5.556% * 0.9759% (0.19 0.02 0.02) = 0.976% HG3 LYS+ 72 - HB3 GLU- 18 5.556% * 0.9288% (0.18 0.02 0.02) = 0.929% HB2 LYS+ 72 - HB3 GLU- 18 5.556% * 0.7656% (0.15 0.02 0.02) = 0.766% HD3 LYS+ 108 - HB3 GLU- 18 5.556% * 0.6062% (0.12 0.02 0.02) = 0.606% HB3 LEU 23 - HB3 GLU- 18 5.556% * 0.6062% (0.12 0.02 0.02) = 0.606% QG2 THR 24 - HB3 GLU- 18 5.556% * 0.2368% (0.05 0.02 0.02) = 0.237% Not enough quality. Peak unassigned. Peak 2149 (1.15, 1.72, 31.21 ppm): 9 chemical-shift based assignments, quality = 0.657, support = 2.46, residual support = 3.75: QB ALA 33 - HB2 GLN 16 11.111% * 54.0680% (0.53 3.61 6.44) = 54.068% kept HG LEU 74 - HB2 GLN 16 11.111% * 35.0854% (0.93 1.33 0.71) = 35.085% kept HG3 LYS+ 32 - HB2 GLN 16 11.111% * 7.1758% (0.53 0.48 0.02) = 7.176% kept HB2 LEU 74 - HB2 GLN 16 11.111% * 2.4329% (0.23 0.37 0.71) = 2.433% kept HG3 PRO 59 - HB2 GLN 16 11.111% * 0.3637% (0.64 0.02 0.02) = 0.364% QG2 THR 96 - HB2 GLN 16 11.111% * 0.3382% (0.14 0.08 0.02) = 0.338% HD3 LYS+ 111 - HB2 GLN 16 11.111% * 0.2374% (0.42 0.02 0.02) = 0.237% QG2 THR 106 - HB2 GLN 16 11.111% * 0.1806% (0.32 0.02 0.02) = 0.181% HB3 LYS+ 66 - HB2 GLN 16 11.111% * 0.1179% (0.21 0.02 0.02) = 0.118% Peak 2150 (0.90, 2.48, 31.14 ppm): 14 chemical-shift based assignments, quality = 0.272, support = 2.22, residual support = 19.2: O QG1 VAL 40 - HB VAL 40 7.143% * 96.0414% (0.28 10.0 2.31 19.99) = 96.041% kept HG LEU 74 - HB VAL 40 7.143% * 1.8605% (0.41 1.0 0.26 0.02) = 1.860% kept QG1 VAL 47 - HB VAL 40 7.143% * 0.2559% (0.73 1.0 0.02 0.02) = 0.256% QG2 VAL 105 - HB VAL 40 7.143% * 0.2553% (0.73 1.0 0.02 0.02) = 0.255% QD1 LEU 67 - HB VAL 40 7.143% * 0.2536% (0.73 1.0 0.02 0.02) = 0.254% QG2 VAL 87 - HB VAL 40 7.143% * 0.2508% (0.72 1.0 0.02 0.02) = 0.251% HG13 ILE 68 - HB VAL 40 7.143% * 0.2470% (0.71 1.0 0.02 0.02) = 0.247% QG1 VAL 80 - HB VAL 40 7.143% * 0.1956% (0.56 1.0 0.02 0.02) = 0.196% QG1 VAL 122 - HB VAL 40 7.143% * 0.1552% (0.44 1.0 0.02 0.02) = 0.155% QG2 VAL 47 - HB VAL 40 7.143% * 0.1147% (0.33 1.0 0.02 0.02) = 0.115% QG2 VAL 73 - HB VAL 40 7.143% * 0.1147% (0.33 1.0 0.02 0.02) = 0.115% QG2 VAL 125 - HB VAL 40 7.143% * 0.1052% (0.30 1.0 0.02 0.02) = 0.105% QG2 VAL 99 - HB VAL 40 7.143% * 0.1052% (0.30 1.0 0.02 0.02) = 0.105% QG2 VAL 122 - HB VAL 40 7.143% * 0.0448% (0.13 1.0 0.02 0.02) = 0.045% Peak 2151 (0.73, 2.48, 31.15 ppm): 9 chemical-shift based assignments, quality = 0.584, support = 2.66, residual support = 16.8: O QG2 VAL 40 - HB VAL 40 11.111% * 80.6941% (0.56 10.0 2.85 19.99) = 80.694% kept QD2 LEU 9 - HB VAL 40 11.111% * 9.7054% (0.68 1.0 2.00 3.78) = 9.705% kept QD1 LEU 9 - HB VAL 40 11.111% * 9.0952% (0.70 1.0 1.81 3.78) = 9.095% kept HG LEU 74 - HB VAL 40 11.111% * 0.2282% (0.12 1.0 0.26 0.02) = 0.228% QD1 ILE 68 - HB VAL 40 11.111% * 0.0973% (0.68 1.0 0.02 0.02) = 0.097% HG3 LYS+ 66 - HB VAL 40 11.111% * 0.0953% (0.66 1.0 0.02 0.02) = 0.095% QG2 ILE 48 - HB VAL 40 11.111% * 0.0344% (0.24 1.0 0.02 0.02) = 0.034% QG2 ILE 101 - HB VAL 40 11.111% * 0.0251% (0.18 1.0 0.02 0.02) = 0.025% HG3 LYS+ 44 - HB VAL 40 11.111% * 0.0251% (0.18 1.0 0.02 0.02) = 0.025% Peak 2153 (8.92, 1.90, 30.88 ppm): 12 chemical-shift based assignments, quality = 0.416, support = 4.29, residual support = 22.6: O HN GLN 102 - HB3 GLN 102 8.333% * 99.3246% (0.42 10.0 4.32 22.76) = 99.325% kept HN PHE 21 - HB3 GLN 102 8.333% * 0.1069% (0.45 1.0 0.02 0.02) = 0.107% HN PHE 21 - HB3 GLU- 56 8.333% * 0.1023% (0.43 1.0 0.02 0.02) = 0.102% HN GLN 102 - HB3 GLU- 56 8.333% * 0.0951% (0.40 1.0 0.02 0.02) = 0.095% HN THR 96 - HB3 GLN 102 8.333% * 0.0846% (0.36 1.0 0.02 0.02) = 0.085% HN THR 96 - HB3 GLU- 56 8.333% * 0.0810% (0.34 1.0 0.02 0.02) = 0.081% HN ARG+ 22 - HB3 GLN 102 8.333% * 0.0709% (0.30 1.0 0.02 0.02) = 0.071% HN ARG+ 22 - HB3 GLU- 56 8.333% * 0.0678% (0.29 1.0 0.02 0.02) = 0.068% HN PHE 21 - HB3 GLN 16 8.333% * 0.0197% (0.08 1.0 0.02 0.02) = 0.020% HN GLN 102 - HB3 GLN 16 8.333% * 0.0183% (0.08 1.0 0.02 0.02) = 0.018% HN THR 96 - HB3 GLN 16 8.333% * 0.0156% (0.07 1.0 0.02 0.02) = 0.016% HN ARG+ 22 - HB3 GLN 16 8.333% * 0.0131% (0.06 1.0 0.02 0.02) = 0.013% 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): 12 chemical-shift based assignments, quality = 0.239, support = 0.298, residual support = 0.0192: HN VAL 62 - HB3 GLU- 109 8.333% * 36.9324% (0.38 0.15 0.02) = 36.932% kept HN THR 95 - HB2 GLU- 18 8.333% * 24.4872% (0.05 0.76 0.02) = 24.487% kept HN PHE 34 - HB2 GLU- 18 8.333% * 11.1971% (0.05 0.33 0.02) = 11.197% kept HN PHE 34 - HB3 GLU- 109 8.333% * 6.4112% (0.49 0.02 0.02) = 6.411% kept HN SER 69 - HB2 GLU- 18 8.333% * 6.3765% (0.04 0.26 0.02) = 6.376% kept HN THR 95 - HB3 GLU- 109 8.333% * 6.1462% (0.47 0.02 0.02) = 6.146% kept HN SER 69 - HB3 GLU- 109 8.333% * 4.6555% (0.36 0.02 0.02) = 4.655% kept HN PHE 34 - HB2 HIS+ 14 8.333% * 0.9460% (0.07 0.02 0.02) = 0.946% HN THR 95 - HB2 HIS+ 14 8.333% * 0.9069% (0.07 0.02 0.02) = 0.907% HN VAL 62 - HB2 HIS+ 14 8.333% * 0.7327% (0.06 0.02 0.02) = 0.733% HN SER 69 - HB2 HIS+ 14 8.333% * 0.6869% (0.05 0.02 0.02) = 0.687% HN VAL 62 - HB2 GLU- 18 8.333% * 0.5215% (0.04 0.02 0.02) = 0.521% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 2157 (4.47, 1.90, 30.85 ppm): 36 chemical-shift based assignments, quality = 0.608, support = 1.42, residual support = 8.08: HA ALA 103 - HB3 GLN 102 2.778% * 32.1560% (0.78 1.71 10.36) = 32.156% kept HA ILE 101 - HB3 GLN 102 2.778% * 24.1900% (0.62 1.63 16.82) = 24.190% kept HA ASN 89 - HB3 GLN 102 2.778% * 22.4038% (0.54 1.72 3.02) = 22.404% kept HA ILE 100 - HB3 GLN 102 2.778% * 7.7842% (0.65 0.50 0.02) = 7.784% kept HA VAL 73 - HB3 GLN 102 2.778% * 6.7478% (0.49 0.58 0.02) = 6.748% kept HA ASN 89 - HB3 GLN 16 2.778% * 1.3141% (0.08 0.71 0.02) = 1.314% kept HA GLU- 50 - HB3 GLU- 56 2.778% * 0.8877% (0.39 0.10 0.02) = 0.888% HA LYS+ 32 - HB3 GLN 102 2.778% * 0.3660% (0.76 0.02 0.02) = 0.366% HA PRO 86 - HB3 GLN 102 2.778% * 0.3409% (0.71 0.02 0.02) = 0.341% HA ALA 103 - HB3 GLU- 56 2.778% * 0.3269% (0.68 0.02 0.21) = 0.327% HA LYS+ 32 - HB3 GLU- 56 2.778% * 0.3176% (0.66 0.02 0.02) = 0.318% HA PRO 86 - HB3 GLU- 56 2.778% * 0.2958% (0.62 0.02 0.02) = 0.296% HA ILE 100 - HB3 GLU- 56 2.778% * 0.2706% (0.56 0.02 0.02) = 0.271% HA ILE 101 - HB3 GLU- 56 2.778% * 0.2571% (0.54 0.02 0.02) = 0.257% HA ASN 76 - HB3 GLN 102 2.778% * 0.2475% (0.52 0.02 0.02) = 0.248% HA ASN 89 - HB3 GLU- 56 2.778% * 0.2260% (0.47 0.02 0.02) = 0.226% HA ASN 76 - HB3 GLU- 56 2.778% * 0.2148% (0.45 0.02 0.02) = 0.215% HA GLU- 50 - HB3 GLN 102 2.778% * 0.2147% (0.45 0.02 0.02) = 0.215% HA VAL 73 - HB3 GLU- 56 2.778% * 0.2030% (0.42 0.02 0.02) = 0.203% HA CYS 123 - HB3 GLN 102 2.778% * 0.1678% (0.35 0.02 0.02) = 0.168% HA VAL 99 - HB3 GLN 102 2.778% * 0.1532% (0.32 0.02 0.13) = 0.153% HA CYS 123 - HB3 GLU- 56 2.778% * 0.1456% (0.30 0.02 0.02) = 0.146% HA VAL 99 - HB3 GLU- 56 2.778% * 0.1329% (0.28 0.02 0.02) = 0.133% HA SER 77 - HB3 GLN 102 2.778% * 0.1260% (0.26 0.02 0.02) = 0.126% HA SER 77 - HB3 GLU- 56 2.778% * 0.1093% (0.23 0.02 0.02) = 0.109% HA ALA 103 - HB3 GLN 16 2.778% * 0.0533% (0.11 0.02 0.02) = 0.053% HA LYS+ 32 - HB3 GLN 16 2.778% * 0.0517% (0.11 0.02 0.02) = 0.052% HA PRO 86 - HB3 GLN 16 2.778% * 0.0482% (0.10 0.02 0.02) = 0.048% HA ILE 100 - HB3 GLN 16 2.778% * 0.0441% (0.09 0.02 0.02) = 0.044% HA ILE 101 - HB3 GLN 16 2.778% * 0.0419% (0.09 0.02 0.02) = 0.042% HA ASN 76 - HB3 GLN 16 2.778% * 0.0350% (0.07 0.02 0.02) = 0.035% HA VAL 73 - HB3 GLN 16 2.778% * 0.0331% (0.07 0.02 0.02) = 0.033% HA GLU- 50 - HB3 GLN 16 2.778% * 0.0304% (0.06 0.02 0.02) = 0.030% HA CYS 123 - HB3 GLN 16 2.778% * 0.0237% (0.05 0.02 0.02) = 0.024% HA VAL 99 - HB3 GLN 16 2.778% * 0.0217% (0.05 0.02 0.98) = 0.022% HA SER 77 - HB3 GLN 16 2.778% * 0.0178% (0.04 0.02 0.02) = 0.018% 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 = 1.41, residual support = 1.56: T HG LEU 74 - HB3 ARG+ 22 25.000% * 98.3421% (0.16 10.00 1.44 1.59) = 98.342% kept T HG LEU 90 - HB3 ARG+ 22 25.000% * 0.8758% (0.10 10.00 0.02 0.02) = 0.876% HB3 LEU 67 - HB3 ARG+ 22 25.000% * 0.4990% (0.58 1.00 0.02 0.02) = 0.499% QB ALA 70 - HB3 ARG+ 22 25.000% * 0.2831% (0.33 1.00 0.02 0.02) = 0.283% 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): 13 chemical-shift based assignments, quality = 0.257, support = 3.1, residual support = 34.9: O QG1 VAL 47 - HB VAL 47 7.692% * 70.1342% (0.31 10.0 3.09 36.12) = 70.134% kept O QG2 VAL 47 - HB VAL 47 7.692% * 26.5572% (0.12 10.0 3.35 36.12) = 26.557% kept HG LEU 74 - HB VAL 47 7.692% * 2.8242% (0.18 1.0 1.41 0.86) = 2.824% kept QD1 LEU 67 - HB VAL 47 7.692% * 0.0708% (0.32 1.0 0.02 0.02) = 0.071% QG2 VAL 87 - HB VAL 47 7.692% * 0.0706% (0.32 1.0 0.02 0.02) = 0.071% HG13 ILE 68 - HB VAL 47 7.692% * 0.0701% (0.31 1.0 0.02 0.02) = 0.070% QG2 VAL 105 - HB VAL 47 7.692% * 0.0694% (0.31 1.0 0.02 0.02) = 0.069% QG1 VAL 80 - HB VAL 47 7.692% * 0.0486% (0.22 1.0 0.02 0.02) = 0.049% QG2 VAL 73 - HB VAL 47 7.692% * 0.0372% (0.17 1.0 0.02 0.02) = 0.037% QG1 VAL 122 - HB VAL 47 7.692% * 0.0372% (0.17 1.0 0.02 0.02) = 0.037% QG2 VAL 99 - HB VAL 47 7.692% * 0.0344% (0.15 1.0 0.02 0.02) = 0.034% QG2 VAL 125 - HB VAL 47 7.692% * 0.0241% (0.11 1.0 0.02 0.02) = 0.024% QG1 VAL 40 - HB VAL 47 7.692% * 0.0218% (0.10 1.0 0.02 0.02) = 0.022% Peak 2170 (0.74, 2.15, 31.03 ppm): 9 chemical-shift based assignments, quality = 0.0813, support = 3.42, residual support = 9.45: QG2 ILE 48 - HB VAL 47 11.111% * 76.6485% (0.08 4.15 12.14) = 76.648% kept HG LEU 74 - HB VAL 47 11.111% * 16.6353% (0.05 1.41 0.86) = 16.635% kept QD1 LEU 9 - HB VAL 47 11.111% * 1.3252% (0.28 0.02 0.02) = 1.325% kept HG3 LYS+ 66 - HB VAL 47 11.111% * 1.3018% (0.27 0.02 0.02) = 1.302% kept QD1 ILE 68 - HB VAL 47 11.111% * 1.2260% (0.26 0.02 0.02) = 1.226% kept QD2 LEU 9 - HB VAL 47 11.111% * 1.2260% (0.26 0.02 0.02) = 1.226% kept QG2 VAL 40 - HB VAL 47 11.111% * 0.9644% (0.20 0.02 0.02) = 0.964% HG3 LYS+ 44 - HB VAL 47 11.111% * 0.4099% (0.09 0.02 0.02) = 0.410% QG2 ILE 101 - HB VAL 47 11.111% * 0.2628% (0.06 0.02 0.02) = 0.263% 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): 6 chemical-shift based assignments, quality = 0.273, support = 0.975, residual support = 1.12: HN ALA 103 - HB2 HIS+ 14 16.667% * 50.7614% (0.44 0.34 0.17) = 50.761% kept HN LYS+ 108 - HB3 GLU- 107 16.667% * 42.5535% (0.07 1.89 2.43) = 42.554% kept HN GLY 71 - HB2 HIS+ 14 16.667% * 3.2889% (0.48 0.02 0.02) = 3.289% kept HN LYS+ 108 - HB2 HIS+ 14 16.667% * 1.5043% (0.22 0.02 0.02) = 1.504% kept HN GLY 71 - HB3 GLU- 107 16.667% * 0.9848% (0.14 0.02 0.02) = 0.985% HN ALA 103 - HB3 GLU- 107 16.667% * 0.9071% (0.13 0.02 0.02) = 0.907% Peak 2173 (8.29, 1.93, 30.53 ppm): 24 chemical-shift based assignments, quality = 0.167, support = 0.385, residual support = 1.5: HN ASN 89 - HB3 GLN 102 4.167% * 48.6947% (0.19 0.55 3.02) = 48.695% kept HN VAL 99 - HB3 GLN 102 4.167% * 19.7461% (0.07 0.58 0.13) = 19.746% kept HN ASP- 28 - HB3 GLU- 109 4.167% * 2.8614% (0.30 0.02 0.02) = 2.861% kept HN HIS+ 8 - HB3 GLU- 109 4.167% * 2.8298% (0.30 0.02 0.02) = 2.830% kept HN LEU 9 - HB3 GLU- 109 4.167% * 2.6650% (0.28 0.02 0.02) = 2.665% kept HN ASP- 28 - HB3 GLN 102 4.167% * 2.4342% (0.26 0.02 0.02) = 2.434% kept HN HIS+ 8 - HB3 GLN 102 4.167% * 2.4073% (0.26 0.02 0.02) = 2.407% kept HN ALA 91 - HB3 GLU- 109 4.167% * 2.3117% (0.25 0.02 0.02) = 2.312% kept HN LEU 9 - HB3 GLN 102 4.167% * 2.2671% (0.24 0.02 0.02) = 2.267% kept HN ASN 89 - HB3 GLU- 109 4.167% * 2.0964% (0.22 0.02 0.02) = 2.096% kept HN ALA 91 - HB3 GLN 102 4.167% * 1.9666% (0.21 0.02 0.02) = 1.967% kept HN ASP- 28 - HB3 GLU- 56 4.167% * 1.0797% (0.11 0.02 0.02) = 1.080% kept HN HIS+ 8 - HB3 GLU- 56 4.167% * 1.0677% (0.11 0.02 0.02) = 1.068% kept HN LEU 9 - HB3 GLU- 56 4.167% * 1.0056% (0.11 0.02 0.02) = 1.006% kept HN HIS+ 7 - HB3 GLU- 109 4.167% * 0.9848% (0.10 0.02 0.02) = 0.985% HN ALA 91 - HB3 GLU- 56 4.167% * 0.8723% (0.09 0.02 0.02) = 0.872% HN HIS+ 7 - HB3 GLN 102 4.167% * 0.8377% (0.09 0.02 0.02) = 0.838% HN VAL 99 - HB3 GLU- 109 4.167% * 0.8027% (0.09 0.02 0.02) = 0.803% HN ASN 89 - HB3 GLU- 56 4.167% * 0.7910% (0.08 0.02 0.02) = 0.791% HN GLN 16 - HB3 GLU- 109 4.167% * 0.7199% (0.08 0.02 0.02) = 0.720% HN GLN 16 - HB3 GLN 102 4.167% * 0.6124% (0.07 0.02 0.02) = 0.612% HN HIS+ 7 - HB3 GLU- 56 4.167% * 0.3716% (0.04 0.02 0.02) = 0.372% HN VAL 99 - HB3 GLU- 56 4.167% * 0.3029% (0.03 0.02 0.02) = 0.303% HN GLN 16 - HB3 GLU- 56 4.167% * 0.2716% (0.03 0.02 0.02) = 0.272% Not enough quality. 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): 19 chemical-shift based assignments, quality = 0.338, support = 1.25, residual support = 1.91: HA ASN 89 - HB3 GLN 102 5.263% * 62.5190% (0.41 1.72 3.02) = 62.519% kept HA PRO 59 - HB3 GLN 102 5.263% * 17.6252% (0.29 0.69 0.13) = 17.625% kept HA VAL 73 - HB3 GLN 102 5.263% * 9.0799% (0.18 0.58 0.02) = 9.080% kept HA SER 49 - HB3 GLN 102 5.263% * 3.7830% (0.44 0.10 0.02) = 3.783% kept HA GLU- 18 - HB3 GLN 102 5.263% * 0.7849% (0.44 0.02 0.60) = 0.785% HA GLU- 54 - HB3 GLN 102 5.263% * 0.7797% (0.44 0.02 0.02) = 0.780% HA HIS+ 8 - HB3 GLN 102 5.263% * 0.7442% (0.42 0.02 0.02) = 0.744% HA ALA 42 - HB3 GLN 102 5.263% * 0.6299% (0.35 0.02 0.02) = 0.630% HA LYS+ 110 - HB3 GLN 102 5.263% * 0.6012% (0.34 0.02 0.02) = 0.601% HB3 SER 49 - HB3 GLN 102 5.263% * 0.5713% (0.32 0.02 0.02) = 0.571% HA GLU- 12 - HB3 GLN 102 5.263% * 0.5404% (0.30 0.02 0.02) = 0.540% HA LYS+ 108 - HB3 GLN 102 5.263% * 0.4771% (0.27 0.02 0.02) = 0.477% HA ALA 11 - HB3 GLN 102 5.263% * 0.3829% (0.21 0.02 0.02) = 0.383% HA HIS+ 4 - HB3 GLN 102 5.263% * 0.3527% (0.20 0.02 0.02) = 0.353% HB3 HIS+ 14 - HB3 GLN 102 5.263% * 0.2953% (0.17 0.02 0.02) = 0.295% HA2 GLY 114 - HB3 GLN 102 5.263% * 0.2683% (0.15 0.02 0.02) = 0.268% HA GLU- 109 - HB3 GLN 102 5.263% * 0.2428% (0.14 0.02 0.02) = 0.243% HA GLU- 56 - HB3 GLN 102 5.263% * 0.1962% (0.11 0.02 0.02) = 0.196% HA LYS+ 44 - HB3 GLN 102 5.263% * 0.1259% (0.07 0.02 0.02) = 0.126% 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): 24 chemical-shift based assignments, quality = 0.256, support = 1.97, residual support = 8.16: O HG3 GLU- 107 - HB3 GLU- 107 4.167% * 93.4307% (0.25 10.0 2.10 8.74) = 93.431% kept HA1 GLY 58 - HB2 HIS+ 14 4.167% * 1.8130% (0.36 1.0 0.28 0.02) = 1.813% kept HG3 GLU- 10 - HB2 HIS+ 14 4.167% * 1.3409% (0.87 1.0 0.08 0.02) = 1.341% kept HG3 GLU- 75 - HB2 HIS+ 14 4.167% * 0.3331% (0.91 1.0 0.02 0.02) = 0.333% HG2 GLU- 56 - HB2 HIS+ 14 4.167% * 0.3102% (0.85 1.0 0.02 0.02) = 0.310% HB3 PRO 52 - HB2 HIS+ 14 4.167% * 0.2915% (0.79 1.0 0.02 0.02) = 0.292% HG3 MET 118 - HB2 HIS+ 14 4.167% * 0.2568% (0.70 1.0 0.02 0.02) = 0.257% HG3 GLU- 18 - HB2 HIS+ 14 4.167% * 0.2038% (0.56 1.0 0.02 0.02) = 0.204% HG3 GLU- 107 - HB2 HIS+ 14 4.167% * 0.1903% (0.52 1.0 0.02 0.02) = 0.190% HB VAL 80 - HB2 HIS+ 14 4.167% * 0.1903% (0.52 1.0 0.02 0.02) = 0.190% HB2 GLU- 50 - HB2 HIS+ 14 4.167% * 0.1768% (0.48 1.0 0.02 0.02) = 0.177% HG3 GLU- 75 - HB3 GLU- 107 4.167% * 0.1636% (0.45 1.0 0.02 0.02) = 0.164% HG3 GLU- 10 - HB3 GLU- 107 4.167% * 0.1561% (0.43 1.0 0.02 0.02) = 0.156% HG2 GLU- 56 - HB3 GLU- 107 4.167% * 0.1523% (0.42 1.0 0.02 0.02) = 0.152% HB3 PRO 52 - HB3 GLU- 107 4.167% * 0.1431% (0.39 1.0 0.02 0.02) = 0.143% HG3 GLU- 109 - HB2 HIS+ 14 4.167% * 0.1382% (0.38 1.0 0.02 0.02) = 0.138% HG3 MET 118 - HB3 GLU- 107 4.167% * 0.1261% (0.34 1.0 0.02 0.02) = 0.126% HG3 MET 126 - HB2 HIS+ 14 4.167% * 0.1146% (0.31 1.0 0.02 0.02) = 0.115% HG3 GLU- 18 - HB3 GLU- 107 4.167% * 0.1001% (0.27 1.0 0.02 0.16) = 0.100% HB VAL 80 - HB3 GLU- 107 4.167% * 0.0934% (0.25 1.0 0.02 0.02) = 0.093% HB2 GLU- 50 - HB3 GLU- 107 4.167% * 0.0868% (0.24 1.0 0.02 0.02) = 0.087% HG3 GLU- 109 - HB3 GLU- 107 4.167% * 0.0678% (0.19 1.0 0.02 0.02) = 0.068% HA1 GLY 58 - HB3 GLU- 107 4.167% * 0.0641% (0.17 1.0 0.02 0.02) = 0.064% HG3 MET 126 - HB3 GLU- 107 4.167% * 0.0563% (0.15 1.0 0.02 0.02) = 0.056% Peak 2212 (2.22, 1.92, 30.53 ppm): 45 chemical-shift based assignments, quality = 0.161, support = 1.87, residual support = 9.85: O HG3 GLU- 109 - HB3 GLU- 109 2.222% * 58.3302% (0.12 10.0 2.55 15.22) = 58.330% kept O HG2 GLU- 56 - HB3 GLU- 56 2.222% * 15.5209% (0.07 10.0 1.00 4.54) = 15.521% kept HG3 MET 126 - HB3 GLN 102 2.222% * 11.6162% (0.36 1.0 1.37 1.52) = 11.616% kept HG3 GLU- 18 - HB3 GLN 102 2.222% * 6.6326% (0.43 1.0 0.66 0.60) = 6.633% kept HA1 GLY 58 - HB3 GLU- 56 2.222% * 1.2963% (0.05 1.0 1.02 3.52) = 1.296% kept HB2 GLU- 50 - HB3 GLU- 56 2.222% * 1.1952% (0.14 1.0 0.36 0.02) = 1.195% kept HB3 PRO 52 - HB3 GLN 102 2.222% * 1.0864% (0.41 1.0 0.11 0.02) = 1.086% kept HG3 MET 118 - HB3 GLN 102 2.222% * 0.8800% (0.43 1.0 0.09 0.02) = 0.880% HG2 MET 126 - HB3 GLN 102 2.222% * 0.7392% (0.09 1.0 0.37 1.52) = 0.739% HG3 GLU- 107 - HB3 GLU- 109 2.222% * 0.4259% (0.14 1.0 0.13 0.02) = 0.426% HG3 GLU- 107 - HB3 GLN 102 2.222% * 0.1997% (0.43 1.0 0.02 0.02) = 0.200% HB2 GLU- 50 - HB3 GLN 102 2.222% * 0.1966% (0.42 1.0 0.02 0.02) = 0.197% HG3 GLU- 109 - HB3 GLN 102 2.222% * 0.1827% (0.39 1.0 0.02 0.02) = 0.183% HG3 GLU- 75 - HB3 GLN 102 2.222% * 0.1557% (0.33 1.0 0.02 0.11) = 0.156% HG3 GLU- 54 - HB3 GLN 102 2.222% * 0.0991% (0.21 1.0 0.02 0.02) = 0.099% HG3 GLU- 10 - HB3 GLN 102 2.222% * 0.0991% (0.21 1.0 0.02 0.02) = 0.099% HG2 GLU- 56 - HB3 GLN 102 2.222% * 0.0913% (0.20 1.0 0.02 0.02) = 0.091% HA1 GLY 58 - HB3 GLN 102 2.222% * 0.0745% (0.16 1.0 0.02 0.02) = 0.074% HB2 LYS+ 113 - HB3 GLN 102 2.222% * 0.0695% (0.15 1.0 0.02 0.02) = 0.069% HG3 GLU- 18 - HB3 GLU- 56 2.222% * 0.0686% (0.15 1.0 0.02 0.02) = 0.069% HG3 MET 118 - HB3 GLU- 56 2.222% * 0.0686% (0.15 1.0 0.02 0.02) = 0.069% HG3 GLU- 107 - HB3 GLU- 56 2.222% * 0.0679% (0.14 1.0 0.02 0.02) = 0.068% HB3 PRO 52 - HB3 GLU- 56 2.222% * 0.0655% (0.14 1.0 0.02 0.02) = 0.065% HG3 GLU- 18 - HB3 GLU- 109 2.222% * 0.0645% (0.14 1.0 0.02 0.02) = 0.064% HG3 MET 118 - HB3 GLU- 109 2.222% * 0.0645% (0.14 1.0 0.02 0.02) = 0.064% HB2 GLU- 50 - HB3 GLU- 109 2.222% * 0.0628% (0.13 1.0 0.02 0.02) = 0.063% HG3 GLU- 109 - HB3 GLU- 56 2.222% * 0.0621% (0.13 1.0 0.02 0.02) = 0.062% HB3 PRO 52 - HB3 GLU- 109 2.222% * 0.0615% (0.13 1.0 0.02 0.02) = 0.062% HG3 MET 126 - HB3 GLU- 56 2.222% * 0.0578% (0.12 1.0 0.02 0.02) = 0.058% HG3 MET 126 - HB3 GLU- 109 2.222% * 0.0543% (0.12 1.0 0.02 0.02) = 0.054% HG3 GLU- 75 - HB3 GLU- 56 2.222% * 0.0529% (0.11 1.0 0.02 0.02) = 0.053% HG3 GLU- 75 - HB3 GLU- 109 2.222% * 0.0497% (0.11 1.0 0.02 0.02) = 0.050% HG3 GLU- 54 - HB3 GLU- 56 2.222% * 0.0337% (0.07 1.0 0.02 0.02) = 0.034% HG3 GLU- 10 - HB3 GLU- 56 2.222% * 0.0337% (0.07 1.0 0.02 0.02) = 0.034% HG3 GLU- 54 - HB3 GLU- 109 2.222% * 0.0317% (0.07 1.0 0.02 0.02) = 0.032% HG3 GLU- 10 - HB3 GLU- 109 2.222% * 0.0317% (0.07 1.0 0.02 0.02) = 0.032% HB VAL 80 - HB3 GLN 102 2.222% * 0.0314% (0.07 1.0 0.02 0.02) = 0.031% HG2 GLU- 56 - HB3 GLU- 109 2.222% * 0.0292% (0.06 1.0 0.02 0.02) = 0.029% HA1 GLY 58 - HB3 GLU- 109 2.222% * 0.0238% (0.05 1.0 0.02 0.02) = 0.024% HB2 LYS+ 113 - HB3 GLU- 56 2.222% * 0.0236% (0.05 1.0 0.02 0.02) = 0.024% HB2 LYS+ 113 - HB3 GLU- 109 2.222% * 0.0222% (0.05 1.0 0.02 0.02) = 0.022% HG2 MET 126 - HB3 GLU- 56 2.222% * 0.0137% (0.03 1.0 0.02 0.02) = 0.014% HG2 MET 126 - HB3 GLU- 109 2.222% * 0.0129% (0.03 1.0 0.02 0.02) = 0.013% HB VAL 80 - HB3 GLU- 56 2.222% * 0.0107% (0.02 1.0 0.02 0.02) = 0.011% HB VAL 80 - HB3 GLU- 109 2.222% * 0.0100% (0.02 1.0 0.02 0.02) = 0.010% Peak 2222 (1.97, 2.01, 30.52 ppm): 18 chemical-shift based assignments, quality = 0.69, support = 0.404, residual support = 0.501: T HG3 PRO 104 - HB2 HIS+ 14 5.556% * 62.4915% (0.87 10.00 0.17 0.02) = 62.492% kept HB2 LYS+ 108 - HB3 GLU- 107 5.556% * 14.7597% (0.22 1.00 1.57 2.43) = 14.760% kept HB VAL 13 - HB2 HIS+ 14 5.556% * 14.3550% (0.70 1.00 0.47 0.90) = 14.355% kept T HG3 PRO 104 - HB3 GLU- 107 5.556% * 3.6597% (0.42 10.00 0.02 0.02) = 3.660% kept HB3 GLU- 109 - HB2 HIS+ 14 5.556% * 0.6870% (0.80 1.00 0.02 0.02) = 0.687% HB VAL 122 - HB2 HIS+ 14 5.556% * 0.6615% (0.77 1.00 0.02 0.02) = 0.662% HG3 PRO 116 - HB2 HIS+ 14 5.556% * 0.5751% (0.67 1.00 0.02 0.53) = 0.575% HB2 LYS+ 108 - HB2 HIS+ 14 5.556% * 0.3855% (0.45 1.00 0.02 0.02) = 0.386% HB3 GLU- 109 - HB3 GLU- 107 5.556% * 0.3356% (0.39 1.00 0.02 0.02) = 0.336% HG3 PRO 31 - HB2 HIS+ 14 5.556% * 0.3256% (0.38 1.00 0.02 0.02) = 0.326% HB VAL 122 - HB3 GLU- 107 5.556% * 0.3231% (0.37 1.00 0.02 0.02) = 0.323% HB3 LYS+ 55 - HB2 HIS+ 14 5.556% * 0.2972% (0.34 1.00 0.02 0.02) = 0.297% HB VAL 13 - HB3 GLU- 107 5.556% * 0.2957% (0.34 1.00 0.02 0.02) = 0.296% HG3 PRO 116 - HB3 GLU- 107 5.556% * 0.2809% (0.33 1.00 0.02 0.02) = 0.281% HB2 GLU- 75 - HB2 HIS+ 14 5.556% * 0.1763% (0.20 1.00 0.02 0.02) = 0.176% HG3 PRO 31 - HB3 GLU- 107 5.556% * 0.1591% (0.18 1.00 0.02 0.02) = 0.159% HB3 LYS+ 55 - HB3 GLU- 107 5.556% * 0.1452% (0.17 1.00 0.02 0.02) = 0.145% HB2 GLU- 75 - HB3 GLU- 107 5.556% * 0.0861% (0.10 1.00 0.02 0.02) = 0.086% 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 = 0.394, support = 0.186, residual support = 0.108: HN LYS+ 66 - HD3 LYS+ 63 50.000% * 91.8281% (0.40 0.20 0.12) = 91.828% kept HN GLU- 54 - HD3 LYS+ 63 50.000% * 8.1719% (0.36 0.02 0.02) = 8.172% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 2245 (8.44, 1.90, 30.28 ppm): 16 chemical-shift based assignments, quality = 0.0842, support = 2.49, residual support = 14.6: O HN GLU- 75 - HB2 GLU- 75 6.250% * 75.6713% (0.05 10.0 2.89 18.79) = 75.671% kept HN ARG+ 53 - HD3 LYS+ 63 6.250% * 13.1656% (0.29 1.0 0.66 0.02) = 13.166% kept HN LEU 74 - HB2 GLU- 75 6.250% * 8.8341% (0.05 1.0 2.44 4.49) = 8.834% kept HN GLU- 75 - HD3 LYS+ 63 6.250% * 0.3867% (0.28 1.0 0.02 0.02) = 0.387% HN CYS 123 - HD3 LYS+ 63 6.250% * 0.3867% (0.28 1.0 0.02 0.02) = 0.387% HN LEU 74 - HD3 LYS+ 63 6.250% * 0.3707% (0.27 1.0 0.02 1.40) = 0.371% HN HIS+ 14 - HD3 LYS+ 63 6.250% * 0.2808% (0.20 1.0 0.02 0.02) = 0.281% HN HIS+ 6 - HD3 LYS+ 63 6.250% * 0.2621% (0.19 1.0 0.02 0.02) = 0.262% HN LYS+ 113 - HD3 LYS+ 63 6.250% * 0.1903% (0.14 1.0 0.02 0.02) = 0.190% HN GLU- 107 - HD3 LYS+ 63 6.250% * 0.1287% (0.09 1.0 0.02 0.02) = 0.129% HN ARG+ 53 - HB2 GLU- 75 6.250% * 0.0786% (0.06 1.0 0.02 0.02) = 0.079% HN CYS 123 - HB2 GLU- 75 6.250% * 0.0757% (0.05 1.0 0.02 0.02) = 0.076% HN HIS+ 14 - HB2 GLU- 75 6.250% * 0.0549% (0.04 1.0 0.02 0.02) = 0.055% HN HIS+ 6 - HB2 GLU- 75 6.250% * 0.0513% (0.04 1.0 0.02 0.02) = 0.051% HN LYS+ 113 - HB2 GLU- 75 6.250% * 0.0372% (0.03 1.0 0.02 0.02) = 0.037% HN GLU- 107 - HB2 GLU- 75 6.250% * 0.0252% (0.02 1.0 0.02 0.02) = 0.025% 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): 4 chemical-shift based assignments, quality = 0.497, support = 1.9, residual support = 9.44: HG LEU 74 - HD3 LYS+ 20 25.000% * 57.5351% (0.67 1.00 2.93 16.13) = 57.535% kept T HG LEU 74 - HD3 LYS+ 113 25.000% * 39.9707% (0.26 10.00 0.52 0.39) = 39.971% kept HG13 ILE 100 - HD3 LYS+ 20 25.000% * 2.4256% (0.30 1.00 0.28 0.11) = 2.426% kept HG13 ILE 100 - HD3 LYS+ 113 25.000% * 0.0686% (0.12 1.00 0.02 0.11) = 0.069% Peak 2267 (1.04, 1.40, 29.97 ppm): 4 chemical-shift based assignments, quality = 0.733, support = 2.39, residual support = 12.6: HG LEU 74 - HD3 LYS+ 20 25.000% * 77.9216% (0.90 1.00 2.93 16.13) = 77.922% kept T HG LEU 74 - HD3 LYS+ 113 25.000% * 19.0555% (0.12 10.00 0.52 0.39) = 19.056% kept HG13 ILE 100 - HD3 LYS+ 20 25.000% * 2.9931% (0.37 1.00 0.28 0.11) = 2.993% kept HG13 ILE 100 - HD3 LYS+ 113 25.000% * 0.0298% (0.05 1.00 0.02 0.11) = 0.030% Peak 2268 (0.92, 1.58, 30.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2270 (8.99, 4.31, 70.99 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2271 (7.22, 3.70, 29.45 ppm): 2 chemical-shift based assignments, quality = 0.555, support = 1.84, residual support = 7.08: HN TRP 51 - HB2 HIS+ 4 50.000% * 80.4310% (0.63 1.96 7.08) = 80.431% kept HH2 TRP 51 - HB2 HIS+ 4 50.000% * 19.5690% (0.23 1.32 7.08) = 19.569% kept Peak 2272 (7.21, 3.03, 29.45 ppm): 2 chemical-shift based assignments, quality = 0.832, support = 4.11, residual support = 50.2: O HN TRP 51 - HB2 TRP 51 50.000% * 90.3886% (0.86 10.0 4.22 50.19) = 90.389% kept HH2 TRP 51 - HB2 TRP 51 50.000% * 9.6114% (0.59 1.0 3.09 50.19) = 9.611% kept Peak 2273 (3.70, 3.70, 29.47 ppm): 1 diagonal assignment: HB2 HIS+ 4 - HB2 HIS+ 4 (0.97) kept Peak 2274 (3.70, 3.04, 29.47 ppm): 6 chemical-shift based assignments, quality = 0.631, support = 2.17, residual support = 4.43: HB2 HIS+ 4 - HB2 TRP 51 16.667% * 29.1256% (0.78 1.90 7.08) = 29.126% kept HD2 PRO 52 - HB2 TRP 51 16.667% * 25.5288% (0.41 3.16 4.27) = 25.529% kept HA ASN 89 - HB2 TRP 51 16.667% * 24.0379% (0.57 2.16 4.28) = 24.038% kept HA ILE 48 - HB2 TRP 51 16.667% * 21.1345% (0.77 1.38 1.20) = 21.135% kept HA LYS+ 81 - HB2 TRP 51 16.667% * 0.1048% (0.27 0.02 0.02) = 0.105% HA SER 27 - HB2 TRP 51 16.667% * 0.0684% (0.17 0.02 0.02) = 0.068% Peak 2275 (3.04, 3.70, 29.49 ppm): 3 chemical-shift based assignments, quality = 0.508, support = 1.87, residual support = 6.85: T HB2 TRP 51 - HB2 HIS+ 4 33.333% * 95.0166% (0.51 10.00 1.90 7.08) = 95.017% kept HA1 GLY 58 - HB2 HIS+ 4 33.333% * 4.8762% (0.38 1.00 1.33 2.52) = 4.876% kept HB3 HIS+ 8 - HB2 HIS+ 4 33.333% * 0.1071% (0.55 1.00 0.02 0.02) = 0.107% Peak 2276 (2.89, 1.57, 29.33 ppm): 6 chemical-shift based assignments, quality = 0.0421, support = 0.808, residual support = 11.0: O T HE3 LYS+ 60 - HD3 LYS+ 60 16.667% * 73.6711% (0.02 10.0 10.00 1.00 14.80) = 73.671% kept HA1 GLY 58 - HD3 LYS+ 32 16.667% * 10.5311% (0.12 1.0 1.00 0.47 0.66) = 10.531% kept T HE3 LYS+ 60 - HD3 LYS+ 32 16.667% * 5.7889% (0.03 1.0 10.00 0.12 0.02) = 5.789% kept HB2 HIS+ 98 - HD3 LYS+ 32 16.667% * 4.9403% (0.17 1.0 1.00 0.16 0.02) = 4.940% kept HA1 GLY 58 - HD3 LYS+ 60 16.667% * 3.0804% (0.09 1.0 1.00 0.18 0.15) = 3.080% kept HB2 HIS+ 98 - HD3 LYS+ 60 16.667% * 1.9882% (0.13 1.0 1.00 0.08 0.02) = 1.988% kept 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 = 0.439, support = 3.86, residual support = 25.9: O HN GLU- 50 - HB3 GLU- 50 20.000% * 93.2539% (0.41 10.0 4.10 27.79) = 93.254% kept HN GLU- 109 - HB3 GLU- 50 20.000% * 6.1687% (0.92 1.0 0.59 0.02) = 6.169% kept HN LYS+ 108 - HB3 GLU- 50 20.000% * 0.2223% (0.98 1.0 0.02 0.02) = 0.222% HN ALA 103 - HB3 GLU- 50 20.000% * 0.1816% (0.80 1.0 0.02 0.02) = 0.182% HN GLY 71 - HB3 GLU- 50 20.000% * 0.1734% (0.76 1.0 0.02 0.02) = 0.173% Peak 2283 (8.23, 2.04, 29.25 ppm): 24 chemical-shift based assignments, quality = 0.526, support = 4.49, residual support = 24.3: O HN GLU- 45 - HB3 GLU- 45 4.167% * 48.1041% (0.54 10.0 4.54 25.57) = 48.104% kept O HN GLU- 45 - HB2 GLU- 45 4.167% * 46.8578% (0.52 10.0 4.85 25.57) = 46.858% kept HN ALA 11 - HB3 GLU- 45 4.167% * 2.0222% (0.61 1.0 0.74 0.23) = 2.022% kept HN ALA 11 - HB2 GLU- 45 4.167% * 1.9998% (0.59 1.0 0.75 0.23) = 2.000% kept HN SER 49 - HB3 GLU- 45 4.167% * 0.0732% (0.81 1.0 0.02 0.02) = 0.073% HN SER 49 - HB2 GLU- 45 4.167% * 0.0713% (0.79 1.0 0.02 0.02) = 0.071% HN VAL 94 - HB3 GLU- 45 4.167% * 0.0688% (0.77 1.0 0.02 0.16) = 0.069% HN VAL 94 - HB2 GLU- 45 4.167% * 0.0670% (0.75 1.0 0.02 0.16) = 0.067% HN VAL 105 - HB3 GLU- 45 4.167% * 0.0662% (0.74 1.0 0.02 0.02) = 0.066% HN VAL 105 - HB2 GLU- 45 4.167% * 0.0645% (0.72 1.0 0.02 0.02) = 0.065% HN GLY 58 - HB3 GLU- 45 4.167% * 0.0635% (0.71 1.0 0.02 2.31) = 0.064% HN GLY 58 - HB2 GLU- 45 4.167% * 0.0619% (0.69 1.0 0.02 2.31) = 0.062% HN MET 118 - HB3 GLU- 45 4.167% * 0.0576% (0.64 1.0 0.02 0.02) = 0.058% HN MET 118 - HB2 GLU- 45 4.167% * 0.0561% (0.62 1.0 0.02 0.02) = 0.056% HN LEU 67 - HB3 GLU- 45 4.167% * 0.0545% (0.61 1.0 0.02 0.02) = 0.054% HN LYS+ 81 - HB3 GLU- 45 4.167% * 0.0545% (0.61 1.0 0.02 0.02) = 0.054% HN LEU 67 - HB2 GLU- 45 4.167% * 0.0531% (0.59 1.0 0.02 0.02) = 0.053% HN LYS+ 81 - HB2 GLU- 45 4.167% * 0.0531% (0.59 1.0 0.02 0.02) = 0.053% HN GLU- 12 - HB3 GLU- 45 4.167% * 0.0449% (0.50 1.0 0.02 0.02) = 0.045% HN GLU- 12 - HB2 GLU- 45 4.167% * 0.0437% (0.49 1.0 0.02 0.02) = 0.044% HN LYS+ 117 - HB3 GLU- 45 4.167% * 0.0177% (0.20 1.0 0.02 0.02) = 0.018% HN LYS+ 117 - HB2 GLU- 45 4.167% * 0.0172% (0.19 1.0 0.02 0.02) = 0.017% HN THR 106 - HB3 GLU- 45 4.167% * 0.0139% (0.15 1.0 0.02 0.02) = 0.014% HN THR 106 - HB2 GLU- 45 4.167% * 0.0135% (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 0.22 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): 10 chemical-shift based assignments, quality = 0.723, support = 2.37, residual support = 26.1: O HA GLU- 50 - HB3 GLU- 50 10.000% * 92.9991% (0.74 10.0 2.42 27.79) = 92.999% kept HA ASN 89 - HB3 GLU- 50 10.000% * 6.3187% (0.54 1.0 1.87 3.94) = 6.319% kept HA PRO 86 - HB3 GLU- 50 10.000% * 0.1035% (0.82 1.0 0.02 0.02) = 0.103% HA ILE 100 - HB3 GLU- 50 10.000% * 0.1035% (0.82 1.0 0.02 0.02) = 0.103% HA ILE 101 - HB3 GLU- 50 10.000% * 0.1028% (0.82 1.0 0.02 0.02) = 0.103% HA LYS+ 32 - HB3 GLU- 50 10.000% * 0.1016% (0.81 1.0 0.02 0.02) = 0.102% HA ALA 103 - HB3 GLU- 50 10.000% * 0.1001% (0.80 1.0 0.02 0.02) = 0.100% HA VAL 99 - HB3 GLU- 50 10.000% * 0.0792% (0.63 1.0 0.02 0.02) = 0.079% HA VAL 73 - HB3 GLU- 50 10.000% * 0.0657% (0.52 1.0 0.02 0.02) = 0.066% HA ASN 76 - HB3 GLU- 50 10.000% * 0.0259% (0.21 1.0 0.02 0.02) = 0.026% 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): 16 chemical-shift based assignments, quality = 0.617, support = 0.17, residual support = 0.0194: HA VAL 65 - HB3 MET 126 6.250% * 26.4284% (0.73 0.25 0.02) = 26.428% kept HA VAL 73 - HB3 MET 126 6.250% * 16.8796% (0.51 0.23 0.02) = 16.880% kept HA GLU- 75 - HB3 MET 126 6.250% * 16.4528% (0.50 0.23 0.02) = 16.453% kept HA SER 85 - HB3 MET 126 6.250% * 9.5107% (0.75 0.09 0.02) = 9.511% kept HA ALA 91 - HB3 MET 126 6.250% * 9.4350% (0.76 0.09 0.02) = 9.435% kept HA LEU 90 - HB3 MET 126 6.250% * 8.2302% (0.50 0.11 0.02) = 8.230% kept HA PRO 52 - HB3 MET 126 6.250% * 2.1824% (0.75 0.02 0.02) = 2.182% kept HD3 PRO 59 - HB3 MET 126 6.250% * 2.1824% (0.75 0.02 0.02) = 2.182% kept HA ARG+ 84 - HB3 MET 126 6.250% * 2.0553% (0.71 0.02 0.02) = 2.055% kept HA ASN 89 - HB3 MET 126 6.250% * 1.9649% (0.68 0.02 0.02) = 1.965% kept HA THR 106 - HB3 MET 126 6.250% * 1.7829% (0.62 0.02 0.02) = 1.783% kept HA GLU- 56 - HB3 MET 126 6.250% * 0.9154% (0.32 0.02 0.02) = 0.915% HA2 GLY 114 - HB3 MET 126 6.250% * 0.6872% (0.24 0.02 0.02) = 0.687% HA HIS+ 4 - HB3 MET 126 6.250% * 0.4957% (0.17 0.02 0.02) = 0.496% HA PRO 104 - HB3 MET 126 6.250% * 0.4957% (0.17 0.02 0.13) = 0.496% HA LYS+ 108 - HB3 MET 126 6.250% * 0.3013% (0.10 0.02 0.02) = 0.301% Not enough support, support cutoff is 0.22 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 = 1.26, residual support = 32.6: O T HE3 LYS+ 72 - HD3 LYS+ 72 12.500% * 96.7341% (0.32 10.0 10.00 1.31 33.70) = 96.734% kept T HE3 LYS+ 81 - HD3 LYS+ 72 12.500% * 1.0001% (0.34 1.0 10.00 0.02 0.02) = 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 = 0.545, support = 0.199, residual support = 0.204: HB2 PHE 21 - HB3 MET 126 16.667% * 41.6270% (0.71 1.00 0.36 0.46) = 41.627% kept HA1 GLY 58 - HB3 MET 126 16.667% * 17.0190% (0.42 1.00 0.25 0.02) = 17.019% kept T HE3 LYS+ 113 - HB3 MET 126 16.667% * 16.2803% (0.50 10.00 0.02 0.02) = 16.280% kept T HE2 LYS+ 117 - HB3 MET 126 16.667% * 15.2642% (0.46 10.00 0.02 0.02) = 15.264% kept T HE3 LYS+ 55 - HB3 MET 126 16.667% * 8.5845% (0.26 10.00 0.02 0.02) = 8.584% kept HB3 ASN 76 - HB3 MET 126 16.667% * 1.2250% (0.37 1.00 0.02 0.02) = 1.225% kept Not enough support, support cutoff is 0.22 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): 4 chemical-shift based assignments, quality = 0.665, support = 2.05, residual support = 2.96: HG3 GLU- 45 - HB2 GLU- 50 25.000% * 41.2127% (0.77 2.13 3.14) = 41.213% kept HA1 GLY 58 - HB2 GLU- 50 25.000% * 32.0062% (0.63 2.04 2.60) = 32.006% kept HG2 GLU- 45 - HB2 GLU- 50 25.000% * 26.6329% (0.54 1.96 3.14) = 26.633% kept HB2 MET 1 - HB2 GLU- 50 25.000% * 0.1481% (0.30 0.02 0.02) = 0.148% Peak 2316 (2.45, 2.04, 29.30 ppm): 15 chemical-shift based assignments, quality = 0.642, support = 3.04, residual support = 24.5: O HG3 GLU- 45 - HB3 GLU- 45 6.667% * 33.1896% (0.81 10.0 3.65 25.57) = 33.190% kept O HG3 GLU- 45 - HB2 GLU- 45 6.667% * 25.5400% (0.71 10.0 1.75 25.57) = 25.540% kept O HG2 GLU- 45 - HB3 GLU- 45 6.667% * 19.4705% (0.47 10.0 3.52 25.57) = 19.471% kept O HG2 GLU- 45 - HB2 GLU- 45 6.667% * 17.0756% (0.41 10.0 3.63 25.57) = 17.076% kept HA1 GLY 58 - HB3 GLU- 45 6.667% * 2.4963% (0.72 1.0 1.68 2.31) = 2.496% kept HA1 GLY 58 - HB2 GLU- 45 6.667% * 2.1853% (0.63 1.0 1.68 2.31) = 2.185% kept HB2 MET 1 - HB3 GLU- 45 6.667% * 0.0092% (0.22 1.0 0.02 0.02) = 0.009% HB2 MET 1 - HB2 GLU- 45 6.667% * 0.0081% (0.20 1.0 0.02 0.02) = 0.008% HB VAL 40 - HB3 GLU- 45 6.667% * 0.0065% (0.16 1.0 0.02 0.02) = 0.006% HB VAL 40 - HB2 GLU- 45 6.667% * 0.0057% (0.14 1.0 0.02 0.02) = 0.006% HG3 GLU- 45 - HB3 GLU- 10 6.667% * 0.0045% (0.11 1.0 0.02 0.02) = 0.004% HA1 GLY 58 - HB3 GLU- 10 6.667% * 0.0040% (0.10 1.0 0.02 0.02) = 0.004% HG2 GLU- 45 - HB3 GLU- 10 6.667% * 0.0026% (0.06 1.0 0.02 0.02) = 0.003% HB2 MET 1 - HB3 GLU- 10 6.667% * 0.0012% (0.03 1.0 0.02 0.02) = 0.001% HB VAL 40 - HB3 GLU- 10 6.667% * 0.0009% (0.02 1.0 0.02 0.02) = 0.001% 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): 14 chemical-shift based assignments, quality = 0.573, support = 1.6, residual support = 2.36: HB2 GLU- 45 - HB2 GLU- 50 7.143% * 46.1787% (0.75 1.00 1.81 3.14) = 46.179% kept HB3 GLU- 45 - HB2 GLU- 50 7.143% * 28.4243% (0.37 1.00 2.24 3.14) = 28.424% kept HG3 PRO 86 - HB2 GLU- 50 7.143% * 12.1378% (0.74 1.00 0.48 0.02) = 12.138% kept HB2 LYS+ 44 - HB2 GLU- 50 7.143% * 6.9006% (0.21 1.00 0.95 0.25) = 6.901% kept T HB3 GLU- 107 - HB2 GLU- 50 7.143% * 3.3660% (0.49 10.00 0.02 0.02) = 3.366% kept HG3 ARG+ 53 - HB2 GLU- 50 7.143% * 0.7944% (0.29 1.00 0.08 0.02) = 0.794% HB3 GLU- 10 - HB2 GLU- 50 7.143% * 0.5192% (0.76 1.00 0.02 0.02) = 0.519% HB VAL 62 - HB2 GLU- 50 7.143% * 0.5022% (0.74 1.00 0.02 0.02) = 0.502% HB3 LYS+ 110 - HB2 GLU- 50 7.143% * 0.4166% (0.61 1.00 0.02 0.02) = 0.417% HB3 GLU- 75 - HB2 GLU- 50 7.143% * 0.3619% (0.53 1.00 0.02 0.02) = 0.362% HB3 PRO 31 - HB2 GLU- 50 7.143% * 0.1447% (0.21 1.00 0.02 0.02) = 0.145% HB2 PRO 112 - HB2 GLU- 50 7.143% * 0.1030% (0.15 1.00 0.02 0.02) = 0.103% HB3 PRO 112 - HB2 GLU- 50 7.143% * 0.0803% (0.12 1.00 0.02 0.02) = 0.080% HG2 PRO 116 - HB2 GLU- 50 7.143% * 0.0704% (0.10 1.00 0.02 0.02) = 0.070% 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): 9 chemical-shift based assignments, quality = 0.332, support = 2.49, residual support = 33.6: O HG3 LYS+ 72 - HD3 LYS+ 72 11.111% * 51.4083% (0.34 10.0 2.12 33.70) = 51.408% kept O HB2 LYS+ 72 - HD3 LYS+ 72 11.111% * 48.4145% (0.32 10.0 2.89 33.70) = 48.415% kept HG LEU 43 - HD3 LYS+ 72 11.111% * 0.0496% (0.33 1.0 0.02 0.02) = 0.050% HD3 LYS+ 108 - HD3 LYS+ 72 11.111% * 0.0438% (0.29 1.0 0.02 0.02) = 0.044% HG LEU 9 - HD3 LYS+ 72 11.111% * 0.0360% (0.24 1.0 0.02 0.02) = 0.036% QG2 VAL 80 - HD3 LYS+ 72 11.111% * 0.0216% (0.14 1.0 0.02 0.02) = 0.022% HG LEU 74 - HD3 LYS+ 72 11.111% * 0.0099% (0.07 1.0 0.02 0.11) = 0.010% QB ALA 70 - HD3 LYS+ 72 11.111% * 0.0081% (0.05 1.0 0.02 1.89) = 0.008% HB3 LEU 23 - HD3 LYS+ 72 11.111% * 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 = 0.348, support = 0.953, residual support = 1.58: T HG LEU 74 - HB3 MET 126 14.286% * 64.3068% (0.28 10.00 1.28 2.45) = 64.307% kept T HG LEU 90 - HB3 MET 126 14.286% * 34.3362% (0.49 10.00 0.38 0.02) = 34.336% kept HB3 LEU 67 - HB3 MET 126 14.286% * 0.9777% (0.68 1.00 0.08 0.02) = 0.978% HB3 LYS+ 60 - HB3 MET 126 14.286% * 0.1521% (0.42 1.00 0.02 0.02) = 0.152% HG3 LYS+ 55 - HB3 MET 126 14.286% * 0.0846% (0.23 1.00 0.02 0.02) = 0.085% HD3 LYS+ 113 - HB3 MET 126 14.286% * 0.0755% (0.21 1.00 0.02 0.02) = 0.076% QB ALA 70 - HB3 MET 126 14.286% * 0.0671% (0.19 1.00 0.02 0.02) = 0.067% 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): 22 chemical-shift based assignments, quality = 0.7, support = 5.13, residual support = 107.5: O QG2 ILE 48 - HG12 ILE 48 4.545% * 53.7291% (0.78 10.0 4.89 110.84) = 53.729% kept O QG2 ILE 48 - HG13 ILE 48 4.545% * 43.1725% (0.63 10.0 5.79 110.84) = 43.173% kept HG LEU 67 - HG12 ILE 48 4.545% * 1.1811% (0.87 1.0 0.40 6.79) = 1.181% kept HG LEU 67 - HG13 ILE 48 4.545% * 0.9268% (0.70 1.0 0.39 6.79) = 0.927% QG2 ILE 101 - HG12 ILE 48 4.545% * 0.2818% (0.85 1.0 0.10 0.02) = 0.282% QG2 ILE 101 - HG13 ILE 48 4.545% * 0.2264% (0.68 1.0 0.10 0.02) = 0.226% HG2 PRO 59 - HG12 ILE 48 4.545% * 0.0607% (0.88 1.0 0.02 0.02) = 0.061% HB2 LEU 9 - HG12 ILE 48 4.545% * 0.0607% (0.88 1.0 0.02 0.02) = 0.061% HB2 LEU 9 - HG13 ILE 48 4.545% * 0.0488% (0.71 1.0 0.02 0.02) = 0.049% HG2 PRO 59 - HG13 ILE 48 4.545% * 0.0488% (0.71 1.0 0.02 0.02) = 0.049% QD1 ILE 19 - HG12 ILE 48 4.545% * 0.0351% (0.51 1.0 0.02 0.02) = 0.035% QG2 VAL 94 - HG12 ILE 48 4.545% * 0.0301% (0.44 1.0 0.02 0.02) = 0.030% QD1 ILE 19 - HG13 ILE 48 4.545% * 0.0282% (0.41 1.0 0.02 0.02) = 0.028% HG12 ILE 19 - HG12 ILE 48 4.545% * 0.0278% (0.40 1.0 0.02 0.02) = 0.028% QG2 VAL 40 - HG12 ILE 48 4.545% * 0.0255% (0.37 1.0 0.02 0.02) = 0.025% QG2 VAL 94 - HG13 ILE 48 4.545% * 0.0242% (0.35 1.0 0.02 0.02) = 0.024% HG12 ILE 19 - HG13 ILE 48 4.545% * 0.0223% (0.32 1.0 0.02 0.02) = 0.022% QG2 VAL 40 - HG13 ILE 48 4.545% * 0.0205% (0.30 1.0 0.02 0.02) = 0.020% QD1 ILE 68 - HG12 ILE 48 4.545% * 0.0138% (0.20 1.0 0.02 0.02) = 0.014% QD2 LEU 9 - HG12 ILE 48 4.545% * 0.0138% (0.20 1.0 0.02 0.02) = 0.014% QD2 LEU 9 - HG13 ILE 48 4.545% * 0.0111% (0.16 1.0 0.02 0.02) = 0.011% QD1 ILE 68 - HG13 ILE 48 4.545% * 0.0111% (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): 12 chemical-shift based assignments, quality = 0.485, support = 2.79, residual support = 15.8: HZ PHE 34 - HD3 LYS+ 32 8.333% * 37.4164% (0.54 3.34 18.96) = 37.416% kept QE PHE 34 - HD3 LYS+ 32 8.333% * 36.3435% (0.54 3.24 18.96) = 36.343% kept QD PHE 34 - HD3 LYS+ 32 8.333% * 9.6447% (0.17 2.78 18.96) = 9.645% kept HZ2 TRP 51 - HD3 LYS+ 32 8.333% * 8.2785% (0.54 0.74 0.26) = 8.278% kept HZ PHE 34 - HD3 LYS+ 60 8.333% * 2.2748% (0.17 0.64 0.02) = 2.275% kept HE22 GLN 102 - HD3 LYS+ 32 8.333% * 2.2727% (0.54 0.20 0.02) = 2.273% kept QE PHE 34 - HD3 LYS+ 60 8.333% * 2.0008% (0.17 0.57 0.02) = 2.001% kept HE ARG+ 53 - HD3 LYS+ 32 8.333% * 1.1871% (0.47 0.12 0.02) = 1.187% kept QD PHE 34 - HD3 LYS+ 60 8.333% * 0.3797% (0.05 0.35 0.02) = 0.380% HE22 GLN 102 - HD3 LYS+ 60 8.333% * 0.0706% (0.17 0.02 0.02) = 0.071% HZ2 TRP 51 - HD3 LYS+ 60 8.333% * 0.0706% (0.17 0.02 0.02) = 0.071% HE ARG+ 53 - HD3 LYS+ 60 8.333% * 0.0607% (0.15 0.02 0.02) = 0.061% Peak 2434 (4.52, 1.58, 28.84 ppm): 20 chemical-shift based assignments, quality = 0.232, support = 1.21, residual support = 1.1: HA ASN 89 - HD3 LYS+ 32 5.000% * 46.9451% (0.20 1.91 0.95) = 46.945% kept HA LYS+ 55 - HD3 LYS+ 32 5.000% * 26.4702% (0.22 0.95 2.36) = 26.470% kept HA ASN 89 - HD3 LYS+ 60 5.000% * 16.7105% (0.37 0.36 0.18) = 16.710% kept HA LYS+ 78 - HD3 LYS+ 60 5.000% * 1.4532% (0.59 0.02 0.02) = 1.453% kept HA LYS+ 55 - HD3 LYS+ 60 5.000% * 1.0482% (0.42 0.02 0.02) = 1.048% kept HB THR 46 - HD3 LYS+ 60 5.000% * 1.0482% (0.42 0.02 0.02) = 1.048% kept HA CYS 123 - HD3 LYS+ 32 5.000% * 0.9609% (0.07 0.11 0.02) = 0.961% HA GLU- 10 - HD3 LYS+ 60 5.000% * 0.7887% (0.32 0.02 0.02) = 0.789% HA LYS+ 78 - HD3 LYS+ 32 5.000% * 0.7703% (0.31 0.02 0.02) = 0.770% HB THR 46 - HD3 LYS+ 32 5.000% * 0.5557% (0.22 0.02 0.02) = 0.556% HA VAL 73 - HD3 LYS+ 60 5.000% * 0.5086% (0.21 0.02 0.02) = 0.509% HA SER 77 - HD3 LYS+ 60 5.000% * 0.4505% (0.18 0.02 0.02) = 0.451% HA GLU- 10 - HD3 LYS+ 32 5.000% * 0.4181% (0.17 0.02 0.02) = 0.418% HA LEU 17 - HD3 LYS+ 60 5.000% * 0.3608% (0.15 0.02 0.02) = 0.361% HA CYS 123 - HD3 LYS+ 60 5.000% * 0.3207% (0.13 0.02 0.02) = 0.321% HA THR 79 - HD3 LYS+ 60 5.000% * 0.3207% (0.13 0.02 0.02) = 0.321% HA VAL 73 - HD3 LYS+ 32 5.000% * 0.2696% (0.11 0.02 0.02) = 0.270% HA SER 77 - HD3 LYS+ 32 5.000% * 0.2388% (0.10 0.02 0.02) = 0.239% HA LEU 17 - HD3 LYS+ 32 5.000% * 0.1912% (0.08 0.02 0.10) = 0.191% HA THR 79 - HD3 LYS+ 32 5.000% * 0.1700% (0.07 0.02 0.02) = 0.170% 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): 10 chemical-shift based assignments, quality = 0.0872, support = 1.39, residual support = 12.7: O HN THR 106 - HB THR 106 10.000% * 96.8008% (0.09 10.0 1.43 13.13) = 96.801% kept HN HIS+ 7 - HB THR 106 10.000% * 2.1184% (0.16 1.0 0.17 0.02) = 2.118% kept HN ASN 89 - HB THR 106 10.000% * 0.2372% (0.15 1.0 0.02 0.10) = 0.237% HN GLN 16 - HB THR 106 10.000% * 0.2304% (0.15 1.0 0.02 0.02) = 0.230% HN ASP- 115 - HB THR 106 10.000% * 0.1558% (0.10 1.0 0.02 0.02) = 0.156% HN HIS+ 8 - HB THR 106 10.000% * 0.1558% (0.10 1.0 0.02 0.02) = 0.156% HN ASP- 28 - HB THR 106 10.000% * 0.1455% (0.09 1.0 0.02 0.02) = 0.145% HN LEU 9 - HB THR 106 10.000% * 0.0714% (0.05 1.0 0.02 0.02) = 0.071% HN ALA 91 - HB THR 106 10.000% * 0.0450% (0.03 1.0 0.02 0.02) = 0.045% HN GLU- 12 - HB THR 106 10.000% * 0.0396% (0.03 1.0 0.02 0.02) = 0.040% Peak 2442 (7.87, 4.04, 70.02 ppm): 4 chemical-shift based assignments, quality = 0.361, support = 3.71, residual support = 14.7: O HN THR 38 - HB THR 38 25.000% * 98.8575% (0.37 10.0 3.75 14.85) = 98.858% kept HN LYS+ 44 - HB THR 38 25.000% * 0.9653% (0.29 1.0 0.25 0.50) = 0.965% HN LEU 90 - HB THR 38 25.000% * 0.0989% (0.37 1.0 0.02 0.02) = 0.099% HD22 ASN 89 - HB THR 38 25.000% * 0.0783% (0.29 1.0 0.02 0.02) = 0.078% Peak 2445 (4.36, 1.57, 28.63 ppm): 15 chemical-shift based assignments, quality = 0.186, support = 1.12, residual support = 10.5: HA LYS+ 60 - HD3 LYS+ 60 6.667% * 44.3544% (0.21 1.33 14.80) = 44.354% kept HB THR 61 - HD3 LYS+ 60 6.667% * 31.6746% (0.13 1.50 12.44) = 31.675% kept HA ASN 89 - HD3 LYS+ 60 6.667% * 14.5659% (0.26 0.36 0.18) = 14.566% kept HA LYS+ 117 - HD3 LYS+ 60 6.667% * 1.0284% (0.33 0.02 0.02) = 1.028% kept HA VAL 73 - HD3 LYS+ 60 6.667% * 1.0259% (0.32 0.02 0.02) = 1.026% kept HA MET 1 - HD3 LYS+ 60 6.667% * 1.0080% (0.32 0.02 0.02) = 1.008% kept HA2 GLY 26 - HD3 LYS+ 60 6.667% * 1.0080% (0.32 0.02 0.02) = 1.008% kept HB3 HIS+ 4 - HD3 LYS+ 60 6.667% * 0.9493% (0.30 0.02 0.02) = 0.949% HA1 GLY 26 - HD3 LYS+ 60 6.667% * 0.9493% (0.30 0.02 0.02) = 0.949% HA HIS+ 3 - HD3 LYS+ 60 6.667% * 0.8590% (0.27 0.02 0.02) = 0.859% HA THR 38 - HD3 LYS+ 60 6.667% * 0.7859% (0.25 0.02 0.02) = 0.786% HA ALA 37 - HD3 LYS+ 60 6.667% * 0.5822% (0.18 0.02 0.02) = 0.582% HA ASN 57 - HD3 LYS+ 60 6.667% * 0.5410% (0.17 0.02 0.02) = 0.541% HA VAL 94 - HD3 LYS+ 60 6.667% * 0.3508% (0.11 0.02 0.16) = 0.351% HA TRP 51 - HD3 LYS+ 60 6.667% * 0.3174% (0.10 0.02 0.02) = 0.317% 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 = 14.5: O HE3 LYS+ 60 - HD3 LYS+ 60 25.000% * 97.6981% (0.28 10.0 1.00 14.80) = 97.698% kept HA1 GLY 58 - HD3 LYS+ 60 25.000% * 1.5649% (0.24 1.0 0.18 0.15) = 1.565% kept HB2 HIS+ 98 - HD3 LYS+ 60 25.000% * 0.5614% (0.19 1.0 0.08 0.02) = 0.561% HG3 MET 97 - HD3 LYS+ 60 25.000% * 0.1756% (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): 26 chemical-shift based assignments, quality = 0.48, support = 1.98, residual support = 13.4: HB2 LEU 67 - HG13 ILE 68 3.846% * 44.9725% (0.59 1.00 3.02 20.60) = 44.973% kept HB2 LEU 67 - HG12 ILE 68 3.846% * 18.8443% (0.34 1.00 2.22 20.60) = 18.844% kept HB ILE 100 - HG13 ILE 68 3.846% * 9.0196% (0.59 1.00 0.61 1.01) = 9.020% kept HB ILE 100 - HG12 ILE 68 3.846% * 8.9084% (0.34 1.00 1.05 1.01) = 8.908% kept HG12 ILE 101 - HG13 ILE 68 3.846% * 6.8526% (0.59 1.00 0.46 0.02) = 6.853% kept HG3 LYS+ 78 - HG13 ILE 68 3.846% * 3.4668% (0.48 1.00 0.29 0.10) = 3.467% kept HG3 LYS+ 78 - HG12 ILE 68 3.846% * 1.7153% (0.27 1.00 0.25 0.10) = 1.715% kept HB3 ARG+ 22 - HG12 ILE 68 3.846% * 1.6246% (0.13 1.00 0.51 1.61) = 1.625% kept HG12 ILE 101 - HG12 ILE 68 3.846% * 1.5852% (0.34 1.00 0.19 0.02) = 1.585% kept T HB3 MET 97 - HG13 ILE 68 3.846% * 0.9283% (0.18 10.00 0.02 0.02) = 0.928% HG LEU 23 - HG12 ILE 68 3.846% * 0.8401% (0.34 1.00 0.10 0.02) = 0.840% HG LEU 23 - HG13 ILE 68 3.846% * 0.3007% (0.59 1.00 0.02 0.02) = 0.301% HG2 LYS+ 110 - HG13 ILE 68 3.846% * 0.1348% (0.27 1.00 0.02 0.02) = 0.135% HG3 LYS+ 110 - HG13 ILE 68 3.846% * 0.1236% (0.24 1.00 0.02 0.02) = 0.124% HB3 ARG+ 22 - HG13 ILE 68 3.846% * 0.1129% (0.22 1.00 0.02 1.61) = 0.113% HB3 LEU 17 - HG13 ILE 68 3.846% * 0.0836% (0.17 1.00 0.02 0.02) = 0.084% HG2 LYS+ 110 - HG12 ILE 68 3.846% * 0.0767% (0.15 1.00 0.02 0.02) = 0.077% HG3 LYS+ 110 - HG12 ILE 68 3.846% * 0.0704% (0.14 1.00 0.02 0.02) = 0.070% HD3 LYS+ 32 - HG13 ILE 68 3.846% * 0.0595% (0.12 1.00 0.02 0.02) = 0.060% HB3 MET 97 - HG12 ILE 68 3.846% * 0.0528% (0.10 1.00 0.02 0.02) = 0.053% HB3 LEU 17 - HG12 ILE 68 3.846% * 0.0476% (0.09 1.00 0.02 0.02) = 0.048% HG3 ARG+ 84 - HG13 ILE 68 3.846% * 0.0464% (0.09 1.00 0.02 0.02) = 0.046% HB2 HIS+ 8 - HG13 ILE 68 3.846% * 0.0464% (0.09 1.00 0.02 0.02) = 0.046% HD3 LYS+ 32 - HG12 ILE 68 3.846% * 0.0339% (0.07 1.00 0.02 0.02) = 0.034% HG3 ARG+ 84 - HG12 ILE 68 3.846% * 0.0264% (0.05 1.00 0.02 0.02) = 0.026% HB2 HIS+ 8 - HG12 ILE 68 3.846% * 0.0264% (0.05 1.00 0.02 0.02) = 0.026% Peak 2469 (1.57, 1.34, 28.44 ppm): 20 chemical-shift based assignments, quality = 0.721, support = 3.46, residual support = 26.8: O HB ILE 19 - HG13 ILE 19 5.000% * 99.2810% (0.73 10.0 3.48 26.98) = 99.281% kept HG LEU 17 - HG13 ILE 19 5.000% * 0.0991% (0.72 1.0 0.02 0.67) = 0.099% HG3 LYS+ 60 - HG13 ILE 19 5.000% * 0.0991% (0.72 1.0 0.02 0.02) = 0.099% HD3 LYS+ 60 - HG13 ILE 19 5.000% * 0.0973% (0.71 1.0 0.02 0.02) = 0.097% HB3 LEU 90 - HG13 ILE 19 5.000% * 0.0642% (0.47 1.0 0.02 0.02) = 0.064% HB3 LEU 9 - HG13 ILE 19 5.000% * 0.0642% (0.47 1.0 0.02 0.02) = 0.064% HG13 ILE 29 - HG13 ILE 19 5.000% * 0.0522% (0.38 1.0 0.02 0.02) = 0.052% HB3 LYS+ 32 - HG13 ILE 19 5.000% * 0.0483% (0.35 1.0 0.02 0.02) = 0.048% QG2 THR 24 - HG13 ILE 19 5.000% * 0.0408% (0.30 1.0 0.02 0.02) = 0.041% HB ILE 19 - QB ALA 103 5.000% * 0.0202% (0.15 1.0 0.02 0.02) = 0.020% HG LEU 17 - QB ALA 103 5.000% * 0.0202% (0.15 1.0 0.02 0.02) = 0.020% HG3 LYS+ 60 - QB ALA 103 5.000% * 0.0202% (0.15 1.0 0.02 0.02) = 0.020% HD3 LYS+ 60 - QB ALA 103 5.000% * 0.0198% (0.14 1.0 0.02 0.02) = 0.020% HB3 LEU 23 - HG13 ILE 19 5.000% * 0.0153% (0.11 1.0 0.02 0.02) = 0.015% HB3 LEU 9 - QB ALA 103 5.000% * 0.0131% (0.10 1.0 0.02 0.02) = 0.013% HB3 LEU 90 - QB ALA 103 5.000% * 0.0131% (0.10 1.0 0.02 0.02) = 0.013% HG13 ILE 29 - QB ALA 103 5.000% * 0.0106% (0.08 1.0 0.02 0.02) = 0.011% HB3 LYS+ 32 - QB ALA 103 5.000% * 0.0098% (0.07 1.0 0.02 0.02) = 0.010% QG2 THR 24 - QB ALA 103 5.000% * 0.0083% (0.06 1.0 0.02 0.02) = 0.008% HB3 LEU 23 - QB ALA 103 5.000% * 0.0031% (0.02 1.0 0.02 0.02) = 0.003% 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 = 2.23, residual support = 10.4: O T QG2 THR 38 - HB THR 38 9.091% * 48.6558% (0.33 10.0 10.00 1.99 14.85) = 48.656% kept T QB ALA 37 - HB THR 38 9.091% * 48.6558% (0.33 1.0 10.00 2.54 6.43) = 48.656% kept HG LEU 74 - HB THR 38 9.091% * 1.7581% (0.15 1.0 1.00 1.63 0.81) = 1.758% kept HG3 LYS+ 108 - HB THR 38 9.091% * 0.6792% (0.37 1.0 1.00 0.25 0.02) = 0.679% HD3 LYS+ 44 - HB THR 38 9.091% * 0.0550% (0.37 1.0 1.00 0.02 0.50) = 0.055% QB ALA 42 - HB THR 38 9.091% * 0.0449% (0.30 1.0 1.00 0.02 1.84) = 0.045% HD3 LYS+ 113 - HB THR 38 9.091% * 0.0429% (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% * 0.0231% (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 = 0.11, support = 1.27, residual support = 13.7: O HB3 LYS+ 60 - HD3 LYS+ 60 9.091% * 92.5667% (0.11 10.0 1.36 14.80) = 92.567% kept HD3 LYS+ 44 - HD3 LYS+ 60 9.091% * 3.2185% (0.24 1.0 0.21 0.02) = 3.218% kept QB ALA 42 - HD3 LYS+ 60 9.091% * 2.0308% (0.22 1.0 0.14 0.02) = 2.031% kept HG LEU 74 - HD3 LYS+ 60 9.091% * 0.5778% (0.10 1.0 0.09 0.12) = 0.578% HG3 LYS+ 108 - HD3 LYS+ 60 9.091% * 0.3138% (0.24 1.0 0.02 0.02) = 0.314% QG2 THR 38 - HD3 LYS+ 60 9.091% * 0.3062% (0.24 1.0 0.02 0.02) = 0.306% QB ALA 37 - HD3 LYS+ 60 9.091% * 0.3062% (0.24 1.0 0.02 0.02) = 0.306% HD3 LYS+ 113 - HD3 LYS+ 60 9.091% * 0.2279% (0.18 1.0 0.02 0.02) = 0.228% HG3 LYS+ 55 - HD3 LYS+ 60 9.091% * 0.2146% (0.17 1.0 0.02 0.02) = 0.215% HD3 LYS+ 20 - HD3 LYS+ 60 9.091% * 0.1245% (0.10 1.0 0.02 0.85) = 0.124% HG LEU 90 - HD3 LYS+ 60 9.091% * 0.1131% (0.09 1.0 0.02 0.02) = 0.113% 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 = 0.218, support = 0.383, residual support = 7.81: HG3 PRO 59 - HD3 LYS+ 60 12.500% * 62.9049% (0.26 0.45 12.33) = 62.905% kept QB ALA 33 - HD3 LYS+ 60 12.500% * 16.2146% (0.06 0.52 0.02) = 16.215% kept HG LEU 74 - HD3 LYS+ 60 12.500% * 12.5024% (0.26 0.09 0.12) = 12.502% kept HG3 LYS+ 32 - HD3 LYS+ 60 12.500% * 2.5727% (0.06 0.08 0.02) = 2.573% kept QG2 THR 106 - HD3 LYS+ 60 12.500% * 2.0532% (0.19 0.02 0.02) = 2.053% kept HB2 LEU 74 - HD3 LYS+ 60 12.500% * 1.7150% (0.16 0.02 0.12) = 1.715% kept HB3 LYS+ 66 - HD3 LYS+ 60 12.500% * 1.6008% (0.15 0.02 1.98) = 1.601% kept HD3 LYS+ 111 - HD3 LYS+ 60 12.500% * 0.4363% (0.04 0.02 0.02) = 0.436% Peak 2478 (0.93, 1.58, 28.57 ppm): 11 chemical-shift based assignments, quality = 0.0951, support = 0.15, residual support = 0.0461: QG2 VAL 99 - HD3 LYS+ 60 9.091% * 49.0146% (0.09 0.26 0.02) = 49.015% kept HG LEU 74 - HD3 LYS+ 60 9.091% * 15.8742% (0.09 0.09 0.12) = 15.874% kept QD1 LEU 17 - HD3 LYS+ 60 9.091% * 5.4069% (0.13 0.02 0.02) = 5.407% kept QG1 VAL 105 - HD3 LYS+ 60 9.091% * 5.3949% (0.13 0.02 0.02) = 5.395% kept HG12 ILE 29 - HD3 LYS+ 60 9.091% * 4.5162% (0.11 0.02 0.02) = 4.516% kept QG2 VAL 62 - HD3 LYS+ 60 9.091% * 4.3295% (0.11 0.02 0.13) = 4.329% kept HG12 ILE 68 - HD3 LYS+ 60 9.091% * 3.9262% (0.10 0.02 0.02) = 3.926% kept QG2 ILE 29 - HD3 LYS+ 60 9.091% * 3.9262% (0.10 0.02 0.02) = 3.926% kept QG2 VAL 73 - HD3 LYS+ 60 9.091% * 3.4977% (0.09 0.02 0.02) = 3.498% kept HG3 LYS+ 63 - HD3 LYS+ 60 9.091% * 3.2794% (0.08 0.02 0.18) = 3.279% kept HG13 ILE 68 - HD3 LYS+ 60 9.091% * 0.8343% (0.02 0.02 0.02) = 0.834% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 2479 (0.91, 4.04, 70.01 ppm): 14 chemical-shift based assignments, quality = 0.416, support = 0.8, residual support = 0.483: HG LEU 74 - HB THR 38 7.143% * 22.5262% (0.30 1.63 0.81) = 22.526% kept HG13 ILE 68 - HB THR 38 7.143% * 18.3892% (0.53 0.76 0.02) = 18.389% kept QG1 VAL 80 - HB THR 38 7.143% * 12.9044% (0.32 0.88 1.75) = 12.904% kept QD1 LEU 67 - HB THR 38 7.143% * 12.7801% (0.52 0.53 0.10) = 12.780% kept QG2 VAL 87 - HB THR 38 7.143% * 8.1760% (0.52 0.34 0.02) = 8.176% kept QG1 VAL 47 - HB THR 38 7.143% * 7.8685% (0.51 0.34 0.02) = 7.869% kept QG2 VAL 105 - HB THR 38 7.143% * 7.6487% (0.50 0.34 0.02) = 7.649% kept QG2 VAL 73 - HB THR 38 7.143% * 6.1179% (0.32 0.42 0.86) = 6.118% kept QG2 VAL 47 - HB THR 38 7.143% * 1.9177% (0.16 0.26 0.02) = 1.918% kept QG1 VAL 40 - HB THR 38 7.143% * 0.9739% (0.13 0.16 0.02) = 0.974% QG2 VAL 99 - HB THR 38 7.143% * 0.2729% (0.30 0.02 0.02) = 0.273% QG1 VAL 122 - HB THR 38 7.143% * 0.2161% (0.24 0.02 0.02) = 0.216% QG2 VAL 125 - HB THR 38 7.143% * 0.1340% (0.15 0.02 0.02) = 0.134% QD1 LEU 17 - HB THR 38 7.143% * 0.0744% (0.08 0.02 0.02) = 0.074% 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 = 0.969, residual support = 5.48: HA ILE 68 - HG13 ILE 19 50.000% * 98.6737% (0.54 0.98 5.21) = 98.674% kept HA PHE 34 - HG13 ILE 19 50.000% * 1.3263% (0.35 0.02 25.55) = 1.326% kept Peak 2486 (4.99, 0.93, 28.37 ppm): 6 chemical-shift based assignments, quality = 0.398, support = 3.04, residual support = 33.1: O HA ILE 68 - HG13 ILE 68 16.667% * 50.9666% (0.41 10.0 4.12 33.44) = 50.967% kept O HA ILE 68 - HG12 ILE 68 16.667% * 46.8249% (0.39 10.0 1.93 33.44) = 46.825% kept HA ILE 68 - QD1 LEU 67 16.667% * 2.1452% (0.19 1.0 1.85 20.60) = 2.145% kept HA PHE 34 - HG13 ILE 68 16.667% * 0.0263% (0.21 1.0 0.02 0.02) = 0.026% HA PHE 34 - HG12 ILE 68 16.667% * 0.0250% (0.20 1.0 0.02 0.02) = 0.025% HA PHE 34 - QD1 LEU 67 16.667% * 0.0120% (0.10 1.0 0.02 0.02) = 0.012% 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): 7 chemical-shift based assignments, quality = 0.654, support = 0.754, residual support = 2.15: T HD3 LYS+ 55 - HG12 ILE 19 14.286% * 93.7216% (0.68 10.00 0.75 2.03) = 93.722% kept HB3 MET 97 - HG12 ILE 19 14.286% * 4.4520% (0.22 1.00 1.11 5.55) = 4.452% kept HB VAL 99 - HG12 ILE 19 14.286% * 1.2158% (0.68 1.00 0.10 0.02) = 1.216% kept HB3 MET 126 - HG12 ILE 19 14.286% * 0.2660% (0.72 1.00 0.02 0.02) = 0.266% HB2 HIS+ 8 - HG12 ILE 19 14.286% * 0.1402% (0.38 1.00 0.02 0.02) = 0.140% HG3 ARG+ 84 - HG12 ILE 19 14.286% * 0.1402% (0.38 1.00 0.02 0.02) = 0.140% HB3 ARG+ 22 - HG12 ILE 19 14.286% * 0.0641% (0.17 1.00 0.02 0.02) = 0.064% Peak 2497 (1.38, 0.92, 28.42 ppm): 36 chemical-shift based assignments, quality = 0.315, support = 1.56, residual support = 4.18: HG LEU 74 - HG13 ILE 68 2.778% * 18.9160% (0.27 3.04 5.42) = 18.916% kept HG LEU 74 - HG12 ILE 68 2.778% * 13.5987% (0.23 2.55 5.42) = 13.599% kept HB3 LYS+ 20 - HG13 ILE 68 2.778% * 7.3510% (0.44 0.73 1.18) = 7.351% kept HB3 LYS+ 20 - HG12 ILE 68 2.778% * 6.8562% (0.37 0.80 1.18) = 6.856% kept HD3 LYS+ 20 - HG13 ILE 68 2.778% * 6.8009% (0.44 0.68 1.18) = 6.801% kept HD3 LYS+ 20 - HG12 ILE 68 2.778% * 6.4063% (0.37 0.74 1.18) = 6.406% kept HG LEU 74 - QD1 LEU 67 2.778% * 6.2704% (0.08 3.53 26.34) = 6.270% kept HG2 LYS+ 78 - HG13 ILE 68 2.778% * 5.9396% (0.46 0.57 0.10) = 5.940% kept HG2 LYS+ 78 - HG12 ILE 68 2.778% * 4.0740% (0.39 0.45 0.10) = 4.074% kept HG13 ILE 19 - HG13 ILE 68 2.778% * 3.9148% (0.10 1.70 5.21) = 3.915% kept HB2 LYS+ 20 - HG12 ILE 68 2.778% * 3.6031% (0.48 0.33 1.18) = 3.603% kept HB2 LYS+ 20 - HG13 ILE 68 2.778% * 3.2342% (0.56 0.25 1.18) = 3.234% kept HG13 ILE 19 - HG12 ILE 68 2.778% * 2.8771% (0.09 1.46 5.21) = 2.877% kept QG2 THR 39 - HG12 ILE 68 2.778% * 2.6721% (0.46 0.25 0.02) = 2.672% kept QG2 THR 39 - HG13 ILE 68 2.778% * 2.2478% (0.54 0.18 0.02) = 2.248% kept QG2 THR 38 - HG13 ILE 68 2.778% * 2.0408% (0.13 0.70 0.02) = 2.041% kept QG2 THR 39 - QD1 LEU 67 2.778% * 1.2131% (0.15 0.34 0.02) = 1.213% kept QB ALA 37 - HG13 ILE 68 2.778% * 1.1305% (0.13 0.39 0.02) = 1.131% kept QB ALA 91 - HG13 ILE 68 2.778% * 0.0895% (0.19 0.02 0.02) = 0.090% QB ALA 91 - HG12 ILE 68 2.778% * 0.0768% (0.17 0.02 0.02) = 0.077% HB2 LYS+ 20 - QD1 LEU 67 2.778% * 0.0733% (0.16 0.02 0.02) = 0.073% QB ALA 42 - HG13 ILE 68 2.778% * 0.0730% (0.16 0.02 0.02) = 0.073% QB ALA 42 - HG12 ILE 68 2.778% * 0.0626% (0.14 0.02 0.02) = 0.063% HG2 LYS+ 78 - QD1 LEU 67 2.778% * 0.0599% (0.13 0.02 0.02) = 0.060% HB3 LYS+ 20 - QD1 LEU 67 2.778% * 0.0571% (0.12 0.02 0.02) = 0.057% HD3 LYS+ 20 - QD1 LEU 67 2.778% * 0.0571% (0.12 0.02 0.02) = 0.057% HG3 ARG+ 22 - HG13 ILE 68 2.778% * 0.0519% (0.11 0.02 1.61) = 0.052% QB ALA 37 - HG12 ILE 68 2.778% * 0.0501% (0.11 0.02 0.02) = 0.050% QG2 THR 38 - HG12 ILE 68 2.778% * 0.0501% (0.11 0.02 0.02) = 0.050% HG3 ARG+ 22 - HG12 ILE 68 2.778% * 0.0445% (0.10 0.02 1.61) = 0.045% QB ALA 91 - QD1 LEU 67 2.778% * 0.0255% (0.06 0.02 0.02) = 0.026% QB ALA 42 - QD1 LEU 67 2.778% * 0.0208% (0.05 0.02 0.02) = 0.021% QB ALA 37 - QD1 LEU 67 2.778% * 0.0166% (0.04 0.02 0.02) = 0.017% QG2 THR 38 - QD1 LEU 67 2.778% * 0.0166% (0.04 0.02 0.10) = 0.017% HG3 ARG+ 22 - QD1 LEU 67 2.778% * 0.0148% (0.03 0.02 0.02) = 0.015% HG13 ILE 19 - QD1 LEU 67 2.778% * 0.0131% (0.03 0.02 0.13) = 0.013% Peak 2498 (0.91, 1.39, 28.32 ppm): 13 chemical-shift based assignments, quality = 0.216, support = 1.41, residual support = 2.61: HG13 ILE 68 - HG13 ILE 19 7.692% * 44.2663% (0.25 1.70 5.21) = 44.266% kept HG LEU 74 - HG13 ILE 19 7.692% * 30.0278% (0.17 1.68 0.92) = 30.028% kept QD1 LEU 67 - HG13 ILE 19 7.692% * 18.3128% (0.23 0.76 0.13) = 18.313% kept QG2 VAL 99 - HG13 ILE 19 7.692% * 4.6943% (0.25 0.18 0.02) = 4.694% kept QG2 VAL 73 - HG13 ILE 19 7.692% * 0.5374% (0.26 0.02 0.02) = 0.537% QG2 VAL 87 - HG13 ILE 19 7.692% * 0.5005% (0.24 0.02 0.02) = 0.501% QG1 VAL 47 - HG13 ILE 19 7.692% * 0.4351% (0.21 0.02 0.02) = 0.435% QG2 VAL 105 - HG13 ILE 19 7.692% * 0.4116% (0.20 0.02 0.02) = 0.412% QD1 LEU 17 - HG13 ILE 19 7.692% * 0.2249% (0.11 0.02 0.67) = 0.225% QG1 VAL 105 - HG13 ILE 19 7.692% * 0.2044% (0.10 0.02 0.02) = 0.204% QG1 VAL 80 - HG13 ILE 19 7.692% * 0.1850% (0.09 0.02 0.02) = 0.185% QG1 VAL 122 - HG13 ILE 19 7.692% * 0.1186% (0.06 0.02 0.02) = 0.119% HG12 ILE 29 - HG13 ILE 19 7.692% * 0.0811% (0.04 0.02 0.02) = 0.081% 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): 27 chemical-shift based assignments, quality = 0.489, support = 4.23, residual support = 32.1: O QD1 ILE 68 - HG13 ILE 68 3.704% * 53.0320% (0.57 10.0 4.76 33.44) = 53.032% kept O QD1 ILE 68 - HG12 ILE 68 3.704% * 41.0441% (0.44 10.0 3.88 33.44) = 41.044% kept QD1 ILE 68 - QD1 LEU 67 3.704% * 2.5701% (0.20 1.0 2.79 20.60) = 2.570% kept HG LEU 74 - HG13 ILE 68 3.704% * 1.3753% (0.10 1.0 3.04 5.42) = 1.375% kept HG LEU 74 - HG12 ILE 68 3.704% * 0.8924% (0.08 1.0 2.55 5.42) = 0.892% HG LEU 74 - QD1 LEU 67 3.704% * 0.5570% (0.03 1.0 3.53 26.34) = 0.557% QD2 LEU 9 - HG13 ILE 68 3.704% * 0.0530% (0.57 1.0 0.02 0.02) = 0.053% QD1 LEU 9 - HG13 ILE 68 3.704% * 0.0513% (0.55 1.0 0.02 0.02) = 0.051% QG2 VAL 40 - HG13 ILE 68 3.704% * 0.0477% (0.51 1.0 0.02 0.02) = 0.048% HG3 LYS+ 66 - HG13 ILE 68 3.704% * 0.0461% (0.49 1.0 0.02 0.02) = 0.046% QD2 LEU 9 - HG12 ILE 68 3.704% * 0.0410% (0.44 1.0 0.02 0.02) = 0.041% QD1 LEU 9 - HG12 ILE 68 3.704% * 0.0397% (0.43 1.0 0.02 0.02) = 0.040% QG2 VAL 40 - HG12 ILE 68 3.704% * 0.0369% (0.40 1.0 0.02 0.02) = 0.037% HG3 LYS+ 66 - HG12 ILE 68 3.704% * 0.0357% (0.38 1.0 0.02 0.02) = 0.036% QG2 ILE 48 - HG13 ILE 68 3.704% * 0.0238% (0.26 1.0 0.02 0.02) = 0.024% QD2 LEU 9 - QD1 LEU 67 3.704% * 0.0185% (0.20 1.0 0.02 0.02) = 0.018% QG2 ILE 48 - HG12 ILE 68 3.704% * 0.0184% (0.20 1.0 0.02 0.02) = 0.018% QG2 ILE 101 - HG13 ILE 68 3.704% * 0.0181% (0.19 1.0 0.02 0.02) = 0.018% QD1 LEU 9 - QD1 LEU 67 3.704% * 0.0178% (0.19 1.0 0.02 0.02) = 0.018% QG2 VAL 40 - QD1 LEU 67 3.704% * 0.0166% (0.18 1.0 0.02 0.02) = 0.017% HG3 LYS+ 66 - QD1 LEU 67 3.704% * 0.0160% (0.17 1.0 0.02 3.83) = 0.016% QG2 ILE 101 - HG12 ILE 68 3.704% * 0.0140% (0.15 1.0 0.02 0.02) = 0.014% HG3 LYS+ 44 - HG13 ILE 68 3.704% * 0.0093% (0.10 1.0 0.02 0.72) = 0.009% QG2 ILE 48 - QD1 LEU 67 3.704% * 0.0083% (0.09 1.0 0.02 6.79) = 0.008% HG3 LYS+ 44 - HG12 ILE 68 3.704% * 0.0072% (0.08 1.0 0.02 0.72) = 0.007% QG2 ILE 101 - QD1 LEU 67 3.704% * 0.0063% (0.07 1.0 0.02 0.02) = 0.006% HG3 LYS+ 44 - QD1 LEU 67 3.704% * 0.0032% (0.03 1.0 0.02 0.02) = 0.003% Peak 2501 (0.71, 3.92, 69.55 ppm): 13 chemical-shift based assignments, quality = 0.28, support = 1.28, residual support = 2.37: HB2 LEU 9 - HB THR 96 7.692% * 25.5863% (0.46 1.17 0.95) = 25.586% kept QD1 ILE 19 - HB THR 96 7.692% * 20.5945% (0.22 1.94 4.44) = 20.595% kept HG12 ILE 19 - HB THR 96 7.692% * 13.4660% (0.17 1.67 4.44) = 13.466% kept QG2 VAL 94 - HB THR 96 7.692% * 12.6640% (0.19 1.42 3.85) = 12.664% kept QD2 LEU 9 - HB THR 96 7.692% * 7.4538% (0.15 1.02 0.95) = 7.454% kept HG2 PRO 59 - HB THR 96 7.692% * 6.0445% (0.46 0.28 0.02) = 6.044% kept HG LEU 67 - HB THR 96 7.692% * 5.8675% (0.45 0.28 0.02) = 5.867% kept QD1 LEU 9 - HB THR 96 7.692% * 4.4445% (0.09 1.07 0.95) = 4.445% kept HG LEU 74 - HB THR 96 7.692% * 2.5649% (0.07 0.79 0.43) = 2.565% kept QG2 ILE 101 - HB THR 96 7.692% * 0.4698% (0.49 0.02 0.02) = 0.470% QG2 ILE 48 - HB THR 96 7.692% * 0.4484% (0.47 0.02 0.02) = 0.448% QG2 VAL 40 - HB THR 96 7.692% * 0.2494% (0.26 0.02 0.02) = 0.249% QD1 ILE 68 - HB THR 96 7.692% * 0.1463% (0.15 0.02 0.02) = 0.146% Peak 2502 (0.68, 1.68, 28.25 ppm): 9 chemical-shift based assignments, quality = 0.629, support = 0.716, residual support = 1.94: HG12 ILE 19 - HD3 LYS+ 55 11.111% * 49.1037% (0.66 0.75 2.03) = 49.104% kept QD1 ILE 19 - HD3 LYS+ 55 11.111% * 46.2441% (0.63 0.75 2.03) = 46.244% kept QG2 VAL 94 - HD3 LYS+ 55 11.111% * 1.2892% (0.65 0.02 0.02) = 1.289% kept QG1 VAL 62 - HD3 LYS+ 55 11.111% * 1.0697% (0.54 0.02 0.02) = 1.070% kept HG LEU 67 - HD3 LYS+ 55 11.111% * 0.6502% (0.33 0.02 0.02) = 0.650% HB2 LEU 9 - HD3 LYS+ 55 11.111% * 0.5989% (0.30 0.02 0.02) = 0.599% HG2 PRO 59 - HD3 LYS+ 55 11.111% * 0.5989% (0.30 0.02 0.02) = 0.599% QG2 ILE 101 - HD3 LYS+ 55 11.111% * 0.2644% (0.13 0.02 0.02) = 0.264% QG2 ILE 48 - HD3 LYS+ 55 11.111% * 0.1808% (0.09 0.02 0.02) = 0.181% 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 = 4.47, residual support = 27.0: O QG2 ILE 19 - HG12 ILE 19 100.000% *100.0000% (0.39 10.0 4.47 26.98) = 100.000% kept Peak 2506 (8.94, 3.92, 69.46 ppm): 5 chemical-shift based assignments, quality = 0.283, support = 2.02, residual support = 5.71: O HN THR 96 - HB THR 96 20.000% * 97.7752% (0.29 10.0 2.05 5.81) = 97.775% kept HN MET 97 - HB THR 96 20.000% * 2.0066% (0.12 1.0 0.99 1.76) = 2.007% kept HN PHE 21 - HB THR 96 20.000% * 0.0984% (0.29 1.0 0.02 0.02) = 0.098% HN ARG+ 22 - HB THR 96 20.000% * 0.0952% (0.28 1.0 0.02 0.02) = 0.095% HN LEU 17 - HB THR 96 20.000% * 0.0246% (0.07 1.0 0.02 0.02) = 0.025% 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 = 0.226, support = 0.757, residual support = 1.38: HA MET 97 - HB THR 96 33.333% * 73.0616% (0.28 0.68 1.76) = 73.062% kept HA ASN 89 - HB THR 96 33.333% * 25.6813% (0.07 1.01 0.36) = 25.681% kept HA GLU- 107 - HB THR 96 33.333% * 1.2571% (0.17 0.02 0.02) = 1.257% kept 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 (0.31) kept Peak 2522 (1.65, 0.80, 27.97 ppm): 22 chemical-shift based assignments, quality = 0.424, support = 2.43, residual support = 16.5: O HB2 LEU 67 - QD2 LEU 67 4.545% * 55.9512% (0.14 10.0 3.57 28.16) = 55.951% kept HG3 ARG+ 84 - QD2 LEU 67 4.545% * 24.9037% (0.90 1.0 1.39 0.22) = 24.904% kept HB3 MET 97 - QD2 LEU 67 4.545% * 8.0360% (0.87 1.0 0.46 0.02) = 8.036% kept HB3 ARG+ 22 - QD2 LEU 67 4.545% * 3.7699% (0.83 1.0 0.23 0.02) = 3.770% kept O HB ILE 100 - HG12 ILE 100 4.545% * 3.5090% (0.02 10.0 1.04 18.79) = 3.509% kept HB2 HIS+ 8 - QD2 LEU 67 4.545% * 2.3546% (0.90 1.0 0.13 0.02) = 2.355% kept HB3 MET 126 - QD2 LEU 67 4.545% * 0.9308% (0.58 1.0 0.08 0.02) = 0.931% HG LEU 23 - QD2 LEU 67 4.545% * 0.0718% (0.18 1.0 0.02 0.02) = 0.072% HB VAL 99 - QD2 LEU 67 4.545% * 0.0635% (0.16 1.0 0.02 0.02) = 0.064% HD3 LYS+ 55 - QD2 LEU 67 4.545% * 0.0635% (0.16 1.0 0.02 0.02) = 0.064% HG12 ILE 101 - QD2 LEU 67 4.545% * 0.0560% (0.14 1.0 0.02 0.02) = 0.056% HB ILE 100 - QD2 LEU 67 4.545% * 0.0560% (0.14 1.0 0.02 0.02) = 0.056% HB2 HIS+ 8 - HG12 ILE 100 4.545% * 0.0432% (0.11 1.0 0.02 0.02) = 0.043% HG3 ARG+ 84 - HG12 ILE 100 4.545% * 0.0432% (0.11 1.0 0.02 0.02) = 0.043% HB3 MET 97 - HG12 ILE 100 4.545% * 0.0420% (0.10 1.0 0.02 0.02) = 0.042% HB3 ARG+ 22 - HG12 ILE 100 4.545% * 0.0402% (0.10 1.0 0.02 0.02) = 0.040% HB3 MET 126 - HG12 ILE 100 4.545% * 0.0282% (0.07 1.0 0.02 0.02) = 0.028% HG LEU 23 - HG12 ILE 100 4.545% * 0.0086% (0.02 1.0 0.02 0.42) = 0.009% HB VAL 99 - HG12 ILE 100 4.545% * 0.0076% (0.02 1.0 0.02 7.71) = 0.008% HD3 LYS+ 55 - HG12 ILE 100 4.545% * 0.0076% (0.02 1.0 0.02 0.02) = 0.008% HB2 LEU 67 - HG12 ILE 100 4.545% * 0.0067% (0.02 1.0 0.02 0.02) = 0.007% HG12 ILE 101 - HG12 ILE 100 4.545% * 0.0067% (0.02 1.0 0.02 9.15) = 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 = 0.813, support = 5.29, residual support = 25.9: T HG LEU 74 - QD2 LEU 67 25.000% * 95.2740% (0.84 10.00 5.42 26.34) = 95.274% kept HB ILE 68 - QD2 LEU 67 25.000% * 3.2695% (0.20 1.00 2.83 20.60) = 3.269% kept HG LEU 74 - HG12 ILE 100 25.000% * 1.4279% (0.10 1.00 2.42 8.25) = 1.428% kept T HB ILE 68 - HG12 ILE 100 25.000% * 0.0286% (0.03 10.00 0.02 1.01) = 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 = 0.487, support = 1.02, residual support = 10.6: QD2 LEU 43 - QD2 LEU 67 50.000% * 53.2936% (0.80 0.34 1.80) = 53.294% kept QG2 ILE 68 - QD2 LEU 67 50.000% * 46.7064% (0.13 1.79 20.60) = 46.706% kept Peak 2531 (-0.04, 0.81, 27.84 ppm): 2 chemical-shift based assignments, quality = 0.545, support = 0.815, residual support = 26.3: QD1 LEU 74 - QD2 LEU 67 50.000% * 99.8919% (0.55 0.82 26.34) = 99.892% kept QD1 LEU 74 - HG12 ILE 100 50.000% * 0.1081% (0.02 0.02 8.25) = 0.108% Peak 2532 (8.47, 0.72, 27.60 ppm): 12 chemical-shift based assignments, quality = 0.0771, support = 3.28, residual support = 39.7: HN LEU 74 - HG LEU 74 8.333% * 51.7781% (0.04 5.80 76.40) = 51.778% kept HN LYS+ 113 - HG LEU 74 8.333% * 13.3656% (0.06 0.96 0.39) = 13.366% kept HN GLY 92 - HG LEU 74 8.333% * 8.6540% (0.06 0.62 0.02) = 8.654% kept HN GLU- 18 - HG LEU 74 8.333% * 7.4705% (0.04 0.96 1.47) = 7.470% kept HN LYS+ 113 - HG2 PRO 59 8.333% * 6.4813% (0.36 0.08 0.02) = 6.481% kept HN GLU- 107 - HG LEU 74 8.333% * 5.6396% (0.07 0.38 0.02) = 5.640% kept HN GLU- 107 - HG2 PRO 59 8.333% * 1.6233% (0.38 0.02 0.02) = 1.623% kept HN GLY 92 - HG2 PRO 59 8.333% * 1.5390% (0.36 0.02 0.02) = 1.539% kept HN GLU- 10 - HG LEU 74 8.333% * 1.0510% (0.02 0.21 0.02) = 1.051% kept HN LEU 74 - HG2 PRO 59 8.333% * 0.9868% (0.23 0.02 0.02) = 0.987% HN GLU- 18 - HG2 PRO 59 8.333% * 0.8559% (0.20 0.02 0.02) = 0.856% HN GLU- 10 - HG2 PRO 59 8.333% * 0.5549% (0.13 0.02 0.02) = 0.555% Peak 2533 (4.47, 2.05, 27.61 ppm): 24 chemical-shift based assignments, quality = 0.241, support = 4.1, residual support = 21.6: O HA PRO 86 - HG3 PRO 86 4.167% * 94.7657% (0.25 10.0 4.31 22.81) = 94.766% kept HA ASN 89 - HG3 PRO 86 4.167% * 1.8468% (0.19 1.0 0.51 0.15) = 1.847% kept HA ILE 100 - HG3 ARG+ 53 4.167% * 0.7692% (0.40 1.0 0.10 0.02) = 0.769% HA ILE 101 - HG3 ARG+ 53 4.167% * 0.7308% (0.38 1.0 0.10 0.02) = 0.731% HA ALA 103 - HG3 ARG+ 53 4.167% * 0.1809% (0.48 1.0 0.02 0.02) = 0.181% HA LYS+ 32 - HG3 ARG+ 53 4.167% * 0.1757% (0.46 1.0 0.02 0.02) = 0.176% HA PRO 86 - HG3 ARG+ 53 4.167% * 0.1637% (0.43 1.0 0.02 0.02) = 0.164% HA ASN 89 - HG3 ARG+ 53 4.167% * 0.1251% (0.33 1.0 0.02 0.02) = 0.125% HA ASN 76 - HG3 ARG+ 53 4.167% * 0.1188% (0.31 1.0 0.02 0.02) = 0.119% HA VAL 73 - HG3 ARG+ 53 4.167% * 0.1124% (0.30 1.0 0.02 0.02) = 0.112% HA ALA 103 - HG3 PRO 86 4.167% * 0.1047% (0.28 1.0 0.02 0.02) = 0.105% HA GLU- 50 - HG3 ARG+ 53 4.167% * 0.1031% (0.27 1.0 0.02 0.02) = 0.103% HA LYS+ 32 - HG3 PRO 86 4.167% * 0.1017% (0.27 1.0 0.02 0.02) = 0.102% HA ILE 100 - HG3 PRO 86 4.167% * 0.0867% (0.23 1.0 0.02 0.02) = 0.087% HA ILE 101 - HG3 PRO 86 4.167% * 0.0824% (0.22 1.0 0.02 0.02) = 0.082% HA CYS 123 - HG3 ARG+ 53 4.167% * 0.0806% (0.21 1.0 0.02 0.02) = 0.081% HA VAL 99 - HG3 ARG+ 53 4.167% * 0.0735% (0.19 1.0 0.02 0.02) = 0.074% HA ASN 76 - HG3 PRO 86 4.167% * 0.0688% (0.18 1.0 0.02 0.02) = 0.069% HA VAL 73 - HG3 PRO 86 4.167% * 0.0651% (0.17 1.0 0.02 0.02) = 0.065% HA SER 77 - HG3 ARG+ 53 4.167% * 0.0605% (0.16 1.0 0.02 0.02) = 0.060% HA GLU- 50 - HG3 PRO 86 4.167% * 0.0597% (0.16 1.0 0.02 0.02) = 0.060% HA CYS 123 - HG3 PRO 86 4.167% * 0.0466% (0.12 1.0 0.02 0.02) = 0.047% HA VAL 99 - HG3 PRO 86 4.167% * 0.0426% (0.11 1.0 0.02 0.02) = 0.043% HA SER 77 - HG3 PRO 86 4.167% * 0.0350% (0.09 1.0 0.02 0.02) = 0.035% 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): 12 chemical-shift based assignments, quality = 0.476, support = 1.87, residual support = 3.79: HA ASN 89 - HG3 ARG+ 84 8.333% * 59.9426% (0.55 2.68 5.46) = 59.943% kept HA LEU 90 - HG3 ARG+ 84 8.333% * 16.1146% (0.51 0.77 0.68) = 16.115% kept HA THR 106 - HG3 ARG+ 84 8.333% * 11.4435% (0.41 0.68 0.02) = 11.443% kept HA SER 85 - HG3 ARG+ 84 8.333% * 5.1839% (0.13 1.00 7.80) = 5.184% kept HA PRO 52 - HG3 ARG+ 84 8.333% * 2.3137% (0.13 0.45 0.02) = 2.314% kept HA VAL 73 - HG3 ARG+ 84 8.333% * 1.5852% (0.51 0.08 0.02) = 1.585% kept HA ALA 91 - HG3 ARG+ 84 8.333% * 1.5255% (0.14 0.26 0.02) = 1.526% kept HA VAL 65 - HG3 ARG+ 84 8.333% * 0.5768% (0.10 0.14 0.02) = 0.577% HA PRO 104 - HG3 ARG+ 84 8.333% * 0.5177% (0.63 0.02 0.02) = 0.518% HA ILE 29 - HG3 ARG+ 84 8.333% * 0.4183% (0.51 0.02 0.02) = 0.418% HA PRO 112 - HG3 ARG+ 84 8.333% * 0.2748% (0.33 0.02 0.02) = 0.275% HD3 PRO 59 - HG3 ARG+ 84 8.333% * 0.1034% (0.13 0.02 0.02) = 0.103% Peak 2536 (3.90, 2.14, 27.77 ppm): 13 chemical-shift based assignments, quality = 0.365, support = 2.78, residual support = 12.7: HA ASN 89 - HG2 PRO 104 7.692% * 72.3357% (0.43 3.42 16.65) = 72.336% kept HA ILE 48 - HG2 PRO 104 7.692% * 13.5328% (0.14 1.97 4.53) = 13.533% kept HB2 SER 77 - HG2 PRO 104 7.692% * 6.1179% (0.38 0.33 0.02) = 6.118% kept HB3 SER 77 - HG2 PRO 104 7.692% * 2.9187% (0.18 0.33 0.02) = 2.919% kept HA LYS+ 44 - HG2 PRO 104 7.692% * 2.1042% (0.36 0.12 0.02) = 2.104% kept HB3 CYS 121 - HG2 PRO 104 7.692% * 1.6963% (0.06 0.56 0.02) = 1.696% kept HA THR 96 - HG2 PRO 104 7.692% * 0.3443% (0.35 0.02 0.02) = 0.344% HD2 PRO 86 - HG2 PRO 104 7.692% * 0.2551% (0.26 0.02 0.02) = 0.255% HD2 PRO 116 - HG2 PRO 104 7.692% * 0.2193% (0.22 0.02 0.02) = 0.219% HA VAL 125 - HG2 PRO 104 7.692% * 0.1852% (0.19 0.02 0.02) = 0.185% HB THR 96 - HG2 PRO 104 7.692% * 0.1123% (0.11 0.02 0.02) = 0.112% HB2 SER 85 - HG2 PRO 104 7.692% * 0.0892% (0.09 0.02 0.02) = 0.089% HA LEU 74 - HG2 PRO 104 7.692% * 0.0892% (0.09 0.02 0.59) = 0.089% Peak 2537 (3.84, 2.02, 27.60 ppm): 20 chemical-shift based assignments, quality = 0.181, support = 2.86, residual support = 22.1: O HD3 PRO 86 - HG2 PRO 86 5.000% * 58.3010% (0.21 10.0 1.00 2.25 22.81) = 58.301% kept O T HD3 PRO 86 - HG3 PRO 86 5.000% * 38.4504% (0.14 10.0 10.00 4.00 22.81) = 38.450% kept HA ASN 89 - HG2 PRO 86 5.000% * 1.4343% (0.20 1.0 1.00 0.51 0.15) = 1.434% kept HA ASN 89 - HG3 PRO 86 5.000% * 0.9459% (0.14 1.0 1.00 0.51 0.15) = 0.946% T HB3 SER 88 - HG3 PRO 86 5.000% * 0.2191% (0.08 1.0 10.00 0.02 0.02) = 0.219% T HD3 PRO 116 - HG2 PRO 86 5.000% * 0.1949% (0.07 1.0 10.00 0.02 4.42) = 0.195% T HD3 PRO 116 - HG3 PRO 86 5.000% * 0.1286% (0.05 1.0 10.00 0.02 4.42) = 0.129% HA VAL 13 - HG2 PRO 86 5.000% * 0.0409% (0.15 1.0 1.00 0.02 0.02) = 0.041% HA LYS+ 44 - HG2 PRO 86 5.000% * 0.0346% (0.13 1.0 1.00 0.02 0.02) = 0.035% HB3 SER 88 - HG2 PRO 86 5.000% * 0.0332% (0.12 1.0 1.00 0.02 0.02) = 0.033% HA ILE 48 - HG2 PRO 86 5.000% * 0.0330% (0.12 1.0 1.00 0.02 0.02) = 0.033% HA2 GLY 92 - HG2 PRO 86 5.000% * 0.0307% (0.11 1.0 1.00 0.02 0.02) = 0.031% HA VAL 13 - HG3 PRO 86 5.000% * 0.0269% (0.10 1.0 1.00 0.02 0.02) = 0.027% HA VAL 87 - HG2 PRO 86 5.000% * 0.0260% (0.09 1.0 1.00 0.02 8.41) = 0.026% HA LYS+ 44 - HG3 PRO 86 5.000% * 0.0228% (0.08 1.0 1.00 0.02 0.02) = 0.023% HA ILE 48 - HG3 PRO 86 5.000% * 0.0218% (0.08 1.0 1.00 0.02 0.02) = 0.022% HA2 GLY 92 - HG3 PRO 86 5.000% * 0.0203% (0.07 1.0 1.00 0.02 0.02) = 0.020% HA VAL 87 - HG3 PRO 86 5.000% * 0.0171% (0.06 1.0 1.00 0.02 8.41) = 0.017% HB2 SER 85 - HG2 PRO 86 5.000% * 0.0111% (0.04 1.0 1.00 0.02 2.16) = 0.011% HB2 SER 85 - HG3 PRO 86 5.000% * 0.0073% (0.03 1.0 1.00 0.02 2.16) = 0.007% Peak 2538 (3.61, 1.99, 27.56 ppm): 6 chemical-shift based assignments, quality = 0.282, support = 2.41, residual support = 9.18: HA ASN 89 - HG3 PRO 104 16.667% * 43.2959% (0.23 3.52 16.65) = 43.296% kept HA ILE 48 - HG3 PRO 104 16.667% * 32.3435% (0.33 1.84 4.53) = 32.344% kept HD2 PRO 112 - HG3 PRO 104 16.667% * 21.9254% (0.32 1.29 2.27) = 21.925% kept HA ASN 89 - HG2 PRO 86 16.667% * 2.1931% (0.08 0.51 0.15) = 2.193% kept HA ILE 48 - HG2 PRO 86 16.667% * 0.1229% (0.12 0.02 0.02) = 0.123% HD2 PRO 112 - HG2 PRO 86 16.667% * 0.1192% (0.11 0.02 0.02) = 0.119% Peak 2539 (3.61, 1.93, 27.60 ppm): 5 chemical-shift based assignments, quality = 0.36, support = 0.983, residual support = 7.36: O HD2 PRO 112 - HG2 PRO 112 20.000% * 97.4730% (0.37 10.0 1.00 7.50) = 97.473% kept HD2 PRO 104 - HG2 PRO 112 20.000% * 1.9819% (0.18 1.0 0.41 2.27) = 1.982% kept HA ILE 48 - HG2 PRO 112 20.000% * 0.2879% (0.54 1.0 0.02 0.02) = 0.288% HA ASN 89 - HG2 PRO 112 20.000% * 0.2041% (0.38 1.0 0.02 0.02) = 0.204% HD2 PRO 31 - HG2 PRO 112 20.000% * 0.0531% (0.10 1.0 0.02 0.02) = 0.053% Peak 2540 (3.29, 1.46, 27.64 ppm): 8 chemical-shift based assignments, quality = 0.0774, support = 0.812, residual support = 3.2: T HE3 LYS+ 63 - HG LEU 74 12.500% * 74.6910% (0.09 10.00 0.61 1.40) = 74.691% kept HA ASN 89 - HG LEU 90 12.500% * 15.8736% (0.07 1.00 1.69 12.86) = 15.874% kept HA ASN 89 - HG LEU 74 12.500% * 5.2075% (0.02 1.00 1.61 2.30) = 5.207% kept HA LEU 23 - HG LEU 74 12.500% * 1.8781% (0.08 1.00 0.17 0.02) = 1.878% kept HD3 ARG+ 53 - HG LEU 90 12.500% * 0.7370% (0.26 1.00 0.02 0.02) = 0.737% HE3 LYS+ 63 - HG LEU 90 12.500% * 0.7096% (0.25 1.00 0.02 0.02) = 0.710% HA LEU 23 - HG LEU 90 12.500% * 0.6493% (0.23 1.00 0.02 0.15) = 0.649% HD3 ARG+ 53 - HG LEU 74 12.500% * 0.2540% (0.09 1.00 0.02 0.02) = 0.254% Not enough quality. Peak unassigned. Peak 2542 (3.18, 1.66, 27.58 ppm): 10 chemical-shift based assignments, quality = 0.878, support = 1.62, residual support = 26.8: O HD3 ARG+ 84 - HG3 ARG+ 84 10.000% * 95.6063% (0.91 10.0 1.62 27.95) = 95.606% kept HA ASN 89 - HG3 ARG+ 84 10.000% * 2.3076% (0.13 1.0 2.68 5.46) = 2.308% kept HB3 PHE 34 - HG3 ARG+ 84 10.000% * 1.2181% (0.66 1.0 0.28 0.02) = 1.218% kept HA1 GLY 58 - HG3 ARG+ 84 10.000% * 0.8029% (0.19 1.0 0.66 0.10) = 0.803% HD3 PRO 35 - HG3 ARG+ 84 10.000% * 0.0218% (0.17 1.0 0.02 0.02) = 0.022% HD3 ARG+ 84 - HG12 ILE 101 10.000% * 0.0191% (0.15 1.0 0.02 0.02) = 0.019% HB3 PHE 34 - HG12 ILE 101 10.000% * 0.0139% (0.11 1.0 0.02 0.02) = 0.014% HA1 GLY 58 - HG12 ILE 101 10.000% * 0.0040% (0.03 1.0 0.02 0.02) = 0.004% HD3 PRO 35 - HG12 ILE 101 10.000% * 0.0035% (0.03 1.0 0.02 0.02) = 0.004% HA ASN 89 - HG12 ILE 101 10.000% * 0.0028% (0.02 1.0 0.02 0.40) = 0.003% Peak 2546 (2.58, 2.14, 27.70 ppm): 3 chemical-shift based assignments, quality = 0.4, support = 0.686, residual support = 3.85: HA1 GLY 58 - HG2 PRO 104 33.333% * 95.6168% (0.40 0.72 4.03) = 95.617% kept HB3 ASP- 36 - HG2 PRO 104 33.333% * 2.7284% (0.41 0.02 0.02) = 2.728% kept HB2 PHE 34 - HG2 PRO 104 33.333% * 1.6548% (0.25 0.02 0.02) = 1.655% kept Peak 2547 (2.58, 2.08, 27.66 ppm): 6 chemical-shift based assignments, quality = 0.727, support = 0.224, residual support = 0.0198: HA1 GLY 58 - HG3 ARG+ 53 16.667% * 83.8862% (0.77 0.26 0.02) = 83.886% kept HB3 ASP- 36 - HG3 ARG+ 53 16.667% * 6.6572% (0.79 0.02 0.02) = 6.657% kept HB2 PHE 34 - HG3 ARG+ 53 16.667% * 4.3091% (0.51 0.02 0.02) = 4.309% kept HA1 GLY 58 - HG3 PRO 86 16.667% * 4.1553% (0.07 0.14 0.02) = 4.155% kept HB3 ASP- 36 - HG3 PRO 86 16.667% * 0.6023% (0.07 0.02 0.02) = 0.602% HB2 PHE 34 - HG3 PRO 86 16.667% * 0.3899% (0.05 0.02 0.02) = 0.390% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 2551 (2.30, 2.02, 27.54 ppm): 10 chemical-shift based assignments, quality = 0.0975, support = 2.93, residual support = 22.7: O HB2 PRO 86 - HG2 PRO 86 10.000% * 32.1653% (0.12 10.0 1.00 2.62 22.81) = 32.165% kept O HB2 PRO 86 - HG3 PRO 86 10.000% * 25.5245% (0.10 10.0 1.00 3.48 22.81) = 25.525% kept O HB3 PRO 86 - HG2 PRO 86 10.000% * 23.3568% (0.09 10.0 1.00 2.49 22.81) = 23.357% kept O HB3 PRO 86 - HG3 PRO 86 10.000% * 18.5346% (0.07 10.0 1.00 3.31 22.81) = 18.535% kept T HG3 GLU- 64 - HG3 PRO 86 10.000% * 0.2604% (0.10 1.0 10.00 0.02 1.37) = 0.260% HA1 GLY 58 - HG3 PRO 86 10.000% * 0.0974% (0.05 1.0 1.00 0.14 0.02) = 0.097% HG3 GLU- 64 - HG2 PRO 86 10.000% * 0.0328% (0.12 1.0 1.00 0.02 1.37) = 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): 32 chemical-shift based assignments, quality = 0.537, support = 0.711, residual support = 0.942: T HB3 LYS+ 110 - HG12 ILE 101 3.125% * 39.3880% (0.76 10.00 0.17 0.02) = 39.388% kept HB3 GLU- 75 - HG12 ILE 101 3.125% * 30.2041% (0.48 1.00 2.00 3.08) = 30.204% kept T HB2 LYS+ 44 - HG12 ILE 101 3.125% * 12.2255% (0.41 10.00 0.10 0.02) = 12.225% kept HB3 GLU- 107 - HG3 ARG+ 84 3.125% * 5.2897% (0.41 1.00 0.42 0.02) = 5.290% kept T HB3 LYS+ 110 - HG3 ARG+ 84 3.125% * 2.7821% (0.45 10.00 0.02 0.02) = 2.782% kept HG3 ARG+ 53 - HG12 ILE 101 3.125% * 1.7137% (0.14 1.00 0.40 0.02) = 1.714% kept T HB2 LYS+ 44 - HG3 ARG+ 84 3.125% * 1.4933% (0.24 10.00 0.02 0.02) = 1.493% kept HG3 ARG+ 53 - HG3 ARG+ 84 3.125% * 0.9304% (0.08 1.00 0.37 0.02) = 0.930% HB3 GLU- 75 - HG3 ARG+ 84 3.125% * 0.6695% (0.28 1.00 0.08 0.02) = 0.669% HG3 PRO 86 - HG12 ILE 101 3.125% * 0.4755% (0.76 1.00 0.02 0.02) = 0.475% HB VAL 62 - HG12 ILE 101 3.125% * 0.4755% (0.76 1.00 0.02 0.02) = 0.475% HB3 GLU- 107 - HG12 ILE 101 3.125% * 0.4350% (0.70 1.00 0.02 0.02) = 0.435% HB3 GLU- 10 - HG12 ILE 101 3.125% * 0.4208% (0.68 1.00 0.02 0.02) = 0.421% HB2 GLU- 45 - HG12 ILE 101 3.125% * 0.3884% (0.62 1.00 0.02 0.02) = 0.388% HB3 GLU- 45 - HG12 ILE 101 3.125% * 0.3707% (0.60 1.00 0.02 0.02) = 0.371% HG3 PRO 86 - HG3 ARG+ 84 3.125% * 0.2782% (0.45 1.00 0.02 0.02) = 0.278% HB VAL 62 - HG3 ARG+ 84 3.125% * 0.2782% (0.45 1.00 0.02 0.02) = 0.278% HB3 PRO 31 - HG12 ILE 101 3.125% * 0.2552% (0.41 1.00 0.02 0.02) = 0.255% HB3 GLU- 10 - HG3 ARG+ 84 3.125% * 0.2462% (0.40 1.00 0.02 0.02) = 0.246% HB2 GLU- 45 - HG3 ARG+ 84 3.125% * 0.2273% (0.36 1.00 0.02 0.02) = 0.227% HB3 GLU- 45 - HG3 ARG+ 84 3.125% * 0.2169% (0.35 1.00 0.02 0.02) = 0.217% HB2 PRO 112 - HG12 ILE 101 3.125% * 0.1994% (0.32 1.00 0.02 0.02) = 0.199% HB3 PRO 112 - HG12 ILE 101 3.125% * 0.1655% (0.27 1.00 0.02 0.02) = 0.165% HG2 PRO 116 - HG12 ILE 101 3.125% * 0.1497% (0.24 1.00 0.02 0.02) = 0.150% HB3 PRO 31 - HG3 ARG+ 84 3.125% * 0.1493% (0.24 1.00 0.02 0.02) = 0.149% HB2 PRO 112 - HG3 ARG+ 84 3.125% * 0.1167% (0.19 1.00 0.02 0.02) = 0.117% HB3 PRO 112 - HG3 ARG+ 84 3.125% * 0.0968% (0.16 1.00 0.02 0.02) = 0.097% HG2 GLU- 64 - HG12 ILE 101 3.125% * 0.0960% (0.15 1.00 0.02 0.02) = 0.096% HG2 PRO 116 - HG3 ARG+ 84 3.125% * 0.0876% (0.14 1.00 0.02 0.02) = 0.088% HB2 GLU- 18 - HG12 ILE 101 3.125% * 0.0748% (0.12 1.00 0.02 0.02) = 0.075% HG2 GLU- 64 - HG3 ARG+ 84 3.125% * 0.0562% (0.09 1.00 0.02 0.02) = 0.056% HB2 GLU- 18 - HG3 ARG+ 84 3.125% * 0.0438% (0.07 1.00 0.02 0.02) = 0.044% Peak 2558 (2.03, 1.30, 27.57 ppm): 36 chemical-shift based assignments, quality = 0.3, support = 1.3, residual support = 1.89: T HB VAL 62 - HG LEU 74 2.778% * 29.7757% (0.35 10.00 1.46 1.71) = 29.776% kept T HB2 LYS+ 44 - HG LEU 74 2.778% * 24.4060% (0.29 10.00 1.43 3.69) = 24.406% kept T HB3 LYS+ 110 - HG LEU 74 2.778% * 17.2587% (0.40 10.00 0.74 0.58) = 17.259% kept T HB VAL 105 - HG LEU 74 2.778% * 8.5923% (0.09 10.00 1.64 0.62) = 8.592% kept HB3 GLU- 45 - HG LEU 74 2.778% * 3.9311% (0.37 1.00 1.81 2.59) = 3.931% kept HB3 GLU- 75 - HG LEU 74 2.778% * 3.0839% (0.23 1.00 2.30 4.49) = 3.084% kept HB2 GLU- 45 - HG LEU 74 2.778% * 2.6730% (0.24 1.00 1.88 2.59) = 2.673% kept T HG3 PRO 86 - HG LEU 74 2.778% * 2.6224% (0.35 10.00 0.13 0.02) = 2.622% kept HB3 GLU- 107 - HG LEU 74 2.778% * 1.4469% (0.40 1.00 0.62 0.02) = 1.447% kept HB3 GLU- 45 - QB ALA 103 2.778% * 1.3191% (0.30 1.00 0.75 0.02) = 1.319% kept HB2 GLU- 45 - QB ALA 103 2.778% * 1.1393% (0.20 1.00 0.99 0.02) = 1.139% kept HB2 GLU- 18 - HG LEU 74 2.778% * 1.0319% (0.11 1.00 1.58 1.47) = 1.032% kept HB2 PRO 112 - HG LEU 74 2.778% * 0.7098% (0.24 1.00 0.50 0.02) = 0.710% T HG2 PRO 86 - HG LEU 74 2.778% * 0.4665% (0.06 10.00 0.13 0.02) = 0.466% HB2 HIS+ 14 - QB ALA 103 2.778% * 0.4482% (0.06 1.00 1.19 0.17) = 0.448% T HB3 PRO 31 - HG LEU 74 2.778% * 0.3413% (0.29 10.00 0.02 0.02) = 0.341% HB3 GLU- 10 - HG LEU 74 2.778% * 0.3377% (0.27 1.00 0.21 0.02) = 0.338% HB3 GLU- 107 - QB ALA 103 2.778% * 0.0376% (0.32 1.00 0.02 0.02) = 0.038% HB3 LYS+ 110 - QB ALA 103 2.778% * 0.0376% (0.32 1.00 0.02 0.02) = 0.038% HG3 PRO 86 - QB ALA 103 2.778% * 0.0329% (0.28 1.00 0.02 0.02) = 0.033% HB VAL 62 - QB ALA 103 2.778% * 0.0329% (0.28 1.00 0.02 0.02) = 0.033% HB2 LYS+ 44 - QB ALA 103 2.778% * 0.0276% (0.23 1.00 0.02 0.02) = 0.028% HB3 PRO 31 - QB ALA 103 2.778% * 0.0276% (0.23 1.00 0.02 0.02) = 0.028% HB3 GLU- 10 - QB ALA 103 2.778% * 0.0261% (0.22 1.00 0.02 0.02) = 0.026% HB3 PRO 112 - HG LEU 74 2.778% * 0.0247% (0.21 1.00 0.02 0.02) = 0.025% HB2 PRO 112 - QB ALA 103 2.778% * 0.0230% (0.20 1.00 0.02 0.02) = 0.023% HG2 PRO 116 - HG LEU 74 2.778% * 0.0229% (0.19 1.00 0.02 0.02) = 0.023% HB3 GLU- 75 - QB ALA 103 2.778% * 0.0216% (0.18 1.00 0.02 0.02) = 0.022% HB3 PRO 112 - QB ALA 103 2.778% * 0.0200% (0.17 1.00 0.02 0.02) = 0.020% HG2 PRO 116 - QB ALA 103 2.778% * 0.0185% (0.16 1.00 0.02 0.02) = 0.018% HG2 GLU- 64 - HG LEU 74 2.778% * 0.0160% (0.14 1.00 0.02 0.12) = 0.016% HG2 GLU- 64 - QB ALA 103 2.778% * 0.0130% (0.11 1.00 0.02 0.02) = 0.013% HB2 GLU- 18 - QB ALA 103 2.778% * 0.0106% (0.09 1.00 0.02 0.49) = 0.011% HB2 HIS+ 14 - HG LEU 74 2.778% * 0.0093% (0.08 1.00 0.02 0.02) = 0.009% HB VAL 105 - QB ALA 103 2.778% * 0.0085% (0.07 1.00 0.02 0.14) = 0.008% HG2 PRO 86 - QB ALA 103 2.778% * 0.0059% (0.05 1.00 0.02 0.02) = 0.006% 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): 16 chemical-shift based assignments, quality = 0.105, support = 0.921, residual support = 1.16: T HB2 LYS+ 66 - HG LEU 74 6.250% * 61.9162% (0.10 10.00 1.16 1.22) = 61.916% kept T HB3 LYS+ 72 - HG LEU 74 6.250% * 18.2900% (0.10 10.00 0.34 0.11) = 18.290% kept HB2 PRO 104 - HG LEU 74 6.250% * 5.8670% (0.10 1.00 1.13 0.59) = 5.867% kept HB VAL 73 - HG LEU 74 6.250% * 3.4371% (0.03 1.00 1.97 10.26) = 3.437% kept T HB3 PRO 59 - HG LEU 90 6.250% * 2.1373% (0.21 10.00 0.02 0.02) = 2.137% kept T HB2 PRO 59 - HG LEU 90 6.250% * 1.6553% (0.16 10.00 0.02 0.02) = 1.655% kept HB2 PRO 104 - HG LEU 90 6.250% * 1.5128% (0.23 1.00 0.13 0.02) = 1.513% kept HG3 PRO 112 - HG LEU 74 6.250% * 1.1568% (0.09 1.00 0.25 0.02) = 1.157% kept HB2 LYS+ 66 - HG LEU 90 6.250% * 1.1027% (0.24 1.00 0.09 0.02) = 1.103% kept T HB3 PRO 59 - HG LEU 74 6.250% * 0.9434% (0.09 10.00 0.02 0.02) = 0.943% T HB2 PRO 59 - HG LEU 74 6.250% * 0.7307% (0.07 10.00 0.02 0.02) = 0.731% HD3 LYS+ 117 - HG LEU 74 6.250% * 0.6591% (0.02 1.00 0.52 0.02) = 0.659% HB3 LYS+ 72 - HG LEU 90 6.250% * 0.2420% (0.24 1.00 0.02 0.02) = 0.242% HG3 PRO 112 - HG LEU 90 6.250% * 0.2137% (0.21 1.00 0.02 0.02) = 0.214% HB VAL 73 - HG LEU 90 6.250% * 0.0790% (0.08 1.00 0.02 0.02) = 0.079% HD3 LYS+ 117 - HG LEU 90 6.250% * 0.0570% (0.06 1.00 0.02 0.39) = 0.057% Not enough quality. Peak unassigned. Peak 2570 (1.73, 2.03, 27.51 ppm): 18 chemical-shift based assignments, quality = 0.0951, support = 0.35, residual support = 0.0193: HB ILE 48 - HG3 ARG+ 53 5.556% * 48.0551% (0.11 0.49 0.02) = 48.055% kept HB3 GLU- 50 - HG3 PRO 86 5.556% * 29.1497% (0.12 0.28 0.02) = 29.150% kept HB VAL 94 - HG2 PRO 86 5.556% * 5.4338% (0.01 0.46 0.02) = 5.434% kept HB2 ARG+ 84 - HG3 PRO 86 5.556% * 3.5843% (0.02 0.22 0.02) = 3.584% kept HB3 GLU- 50 - HG3 ARG+ 53 5.556% * 2.3178% (0.13 0.02 0.02) = 2.318% kept HB VAL 94 - HG3 PRO 86 5.556% * 1.9535% (0.03 0.08 0.02) = 1.954% kept HB ILE 48 - HG3 PRO 86 5.556% * 1.7906% (0.10 0.02 0.02) = 1.791% kept HB2 GLN 16 - HG3 ARG+ 53 5.556% * 1.5297% (0.08 0.02 0.02) = 1.530% kept HB2 GLN 16 - HG3 PRO 86 5.556% * 1.3868% (0.08 0.02 0.02) = 1.387% kept HB3 GLU- 50 - HG2 PRO 86 5.556% * 1.0500% (0.06 0.02 0.02) = 1.050% kept HB ILE 48 - HG2 PRO 86 5.556% * 0.8948% (0.05 0.02 0.02) = 0.895% HB2 GLN 16 - HG2 PRO 86 5.556% * 0.6930% (0.04 0.02 0.02) = 0.693% HB VAL 94 - HG3 ARG+ 53 5.556% * 0.5265% (0.03 0.02 0.02) = 0.526% HB2 HIS+ 7 - HG3 ARG+ 53 5.556% * 0.4680% (0.03 0.02 0.02) = 0.468% HB2 HIS+ 7 - HG3 PRO 86 5.556% * 0.4243% (0.02 0.02 0.02) = 0.424% HB2 ARG+ 84 - HG3 ARG+ 53 5.556% * 0.3649% (0.02 0.02 0.02) = 0.365% HB2 HIS+ 7 - HG2 PRO 86 5.556% * 0.2120% (0.01 0.02 0.02) = 0.212% HB2 ARG+ 84 - HG2 PRO 86 5.556% * 0.1653% (0.01 0.02 0.02) = 0.165% Not enough quality. Peak unassigned. Peak 2571 (1.67, 1.46, 27.63 ppm): 14 chemical-shift based assignments, quality = 0.121, support = 0.902, residual support = 1.36: T HB3 MET 126 - HG LEU 74 7.143% * 31.2824% (0.11 10.00 1.28 2.45) = 31.282% kept T HG3 ARG+ 84 - HG LEU 90 7.143% * 26.4458% (0.22 10.00 0.54 0.68) = 26.446% kept T HB3 ARG+ 22 - HG LEU 74 7.143% * 14.4960% (0.05 10.00 1.44 1.59) = 14.496% kept T HG3 ARG+ 84 - HG LEU 74 7.143% * 10.1669% (0.08 10.00 0.57 1.15) = 10.167% kept T HB3 MET 97 - HG LEU 74 7.143% * 8.7729% (0.05 10.00 0.74 0.68) = 8.773% kept T HB2 HIS+ 8 - HG LEU 74 7.143% * 3.7234% (0.08 10.00 0.21 0.02) = 3.723% kept HB VAL 99 - HG LEU 74 7.143% * 1.8338% (0.07 1.00 1.16 0.02) = 1.834% kept T HB3 MET 126 - HG LEU 90 7.143% * 1.3488% (0.30 10.00 0.02 0.02) = 1.349% kept T HB2 HIS+ 8 - HG LEU 90 7.143% * 0.9794% (0.22 10.00 0.02 0.02) = 0.979% T HB3 ARG+ 22 - HG LEU 90 7.143% * 0.5545% (0.13 10.00 0.02 0.02) = 0.554% HD3 LYS+ 55 - HG LEU 74 7.143% * 0.1560% (0.07 1.00 0.10 0.02) = 0.156% HD3 LYS+ 55 - HG LEU 90 7.143% * 0.0873% (0.20 1.00 0.02 0.02) = 0.087% HB VAL 99 - HG LEU 90 7.143% * 0.0873% (0.20 1.00 0.02 0.02) = 0.087% HB3 MET 97 - HG LEU 90 7.143% * 0.0657% (0.15 1.00 0.02 0.02) = 0.066% Not enough quality. Peak unassigned. Peak 2572 (1.63, 1.28, 27.62 ppm): 22 chemical-shift based assignments, quality = 0.256, support = 2.29, residual support = 8.95: T HB ILE 100 - HG LEU 74 4.545% * 57.5190% (0.31 10.00 2.36 8.25) = 57.519% kept T HB3 ARG+ 22 - HG LEU 74 4.545% * 12.7688% (0.09 10.00 1.44 1.59) = 12.769% kept HB2 LEU 67 - HG LEU 74 4.545% * 11.0764% (0.31 1.00 3.85 26.34) = 11.076% kept HG12 ILE 101 - HG LEU 74 4.545% * 8.4957% (0.31 1.00 2.95 12.00) = 8.496% kept T HB3 MET 97 - HG LEU 74 4.545% * 5.2729% (0.08 10.00 0.74 0.68) = 5.273% kept HB3 LEU 17 - HG LEU 74 4.545% * 1.5228% (0.10 1.00 1.55 1.52) = 1.523% kept HG2 LYS+ 110 - HG LEU 74 4.545% * 1.1621% (0.16 1.00 0.77 0.58) = 1.162% kept HG3 LYS+ 110 - HG LEU 74 4.545% * 0.8953% (0.15 1.00 0.64 0.58) = 0.895% HG3 LYS+ 78 - HG LEU 74 4.545% * 0.6466% (0.27 1.00 0.26 0.02) = 0.647% HG LEU 23 - HG LEU 74 4.545% * 0.4784% (0.30 1.00 0.17 0.02) = 0.478% HB ILE 100 - QB ALA 103 4.545% * 0.0210% (0.11 1.00 0.02 0.02) = 0.021% HG12 ILE 101 - QB ALA 103 4.545% * 0.0210% (0.11 1.00 0.02 1.36) = 0.021% HB2 LEU 67 - QB ALA 103 4.545% * 0.0210% (0.11 1.00 0.02 0.02) = 0.021% HG LEU 23 - QB ALA 103 4.545% * 0.0208% (0.11 1.00 0.02 0.02) = 0.021% HG3 LYS+ 78 - QB ALA 103 4.545% * 0.0182% (0.10 1.00 0.02 0.02) = 0.018% HD3 LYS+ 32 - HG LEU 74 4.545% * 0.0143% (0.08 1.00 0.02 0.11) = 0.014% HG2 LYS+ 110 - QB ALA 103 4.545% * 0.0111% (0.06 1.00 0.02 0.02) = 0.011% HG3 LYS+ 110 - QB ALA 103 4.545% * 0.0102% (0.05 1.00 0.02 0.02) = 0.010% HB3 LEU 17 - QB ALA 103 4.545% * 0.0072% (0.04 1.00 0.02 0.02) = 0.007% HB3 ARG+ 22 - QB ALA 103 4.545% * 0.0065% (0.03 1.00 0.02 0.02) = 0.006% HB3 MET 97 - QB ALA 103 4.545% * 0.0052% (0.03 1.00 0.02 0.02) = 0.005% HD3 LYS+ 32 - QB ALA 103 4.545% * 0.0052% (0.03 1.00 0.02 0.02) = 0.005% Peak 2573 (1.61, 0.91, 27.80 ppm): 10 chemical-shift based assignments, quality = 0.227, support = 2.85, residual support = 26.0: O HB2 LEU 67 - QD1 LEU 67 10.000% * 92.2437% (0.23 10.0 3.03 28.16) = 92.244% kept HB ILE 100 - QD1 LEU 67 10.000% * 4.5280% (0.23 1.0 0.98 0.02) = 4.528% kept HG12 ILE 101 - QD1 LEU 67 10.000% * 2.2632% (0.23 1.0 0.49 0.02) = 2.263% kept HG3 LYS+ 78 - QD1 LEU 67 10.000% * 0.4683% (0.29 1.0 0.08 0.02) = 0.468% HG2 LYS+ 110 - QD1 LEU 67 10.000% * 0.1114% (0.28 1.0 0.02 0.02) = 0.111% HG3 LYS+ 110 - QD1 LEU 67 10.000% * 0.1082% (0.27 1.0 0.02 0.02) = 0.108% HB3 LEU 17 - QD1 LEU 67 10.000% * 0.0922% (0.23 1.0 0.02 0.02) = 0.092% HG LEU 23 - QD1 LEU 67 10.000% * 0.0829% (0.21 1.0 0.02 0.02) = 0.083% HD3 LYS+ 32 - QD1 LEU 67 10.000% * 0.0781% (0.19 1.0 0.02 0.02) = 0.078% HB3 LYS+ 32 - QD1 LEU 67 10.000% * 0.0239% (0.06 1.0 0.02 0.02) = 0.024% Peak 2574 (1.50, 2.03, 27.52 ppm): 24 chemical-shift based assignments, quality = 0.0465, support = 0.0876, residual support = 0.0194: T HG LEU 74 - HG3 PRO 86 4.167% * 41.9100% (0.03 10.00 0.13 0.02) = 41.910% kept T HG LEU 74 - HG2 PRO 86 4.167% * 20.9424% (0.01 10.00 0.13 0.02) = 20.942% kept HD3 LYS+ 108 - HG3 ARG+ 53 4.167% * 3.4020% (0.13 1.00 0.02 0.02) = 3.402% kept HB2 LYS+ 72 - HG3 ARG+ 53 4.167% * 3.3346% (0.13 1.00 0.02 0.02) = 3.335% kept HD3 LYS+ 108 - HG3 PRO 86 4.167% * 3.1853% (0.12 1.00 0.02 0.02) = 3.185% kept HG3 LYS+ 72 - HG3 ARG+ 53 4.167% * 3.1404% (0.12 1.00 0.02 0.02) = 3.140% kept HB2 LYS+ 72 - HG3 PRO 86 4.167% * 3.1222% (0.12 1.00 0.02 0.02) = 3.122% kept HG3 LYS+ 72 - HG3 PRO 86 4.167% * 2.9404% (0.12 1.00 0.02 0.02) = 2.940% kept HG LEU 43 - HG3 ARG+ 53 4.167% * 2.2008% (0.09 1.00 0.02 0.02) = 2.201% kept HG LEU 43 - HG3 PRO 86 4.167% * 2.0606% (0.08 1.00 0.02 0.02) = 2.061% kept HD3 LYS+ 108 - HG2 PRO 86 4.167% * 1.5917% (0.06 1.00 0.02 0.02) = 1.592% kept HB2 LYS+ 72 - HG2 PRO 86 4.167% * 1.5602% (0.06 1.00 0.02 0.02) = 1.560% kept HG3 LYS+ 72 - HG2 PRO 86 4.167% * 1.4693% (0.06 1.00 0.02 0.02) = 1.469% kept QB ALA 70 - HG3 ARG+ 53 4.167% * 1.3986% (0.05 1.00 0.02 0.02) = 1.399% kept QB ALA 70 - HG3 PRO 86 4.167% * 1.3095% (0.05 1.00 0.02 0.02) = 1.310% kept HG LEU 9 - HG3 ARG+ 53 4.167% * 1.1604% (0.05 1.00 0.02 0.02) = 1.160% kept HG LEU 9 - HG3 PRO 86 4.167% * 1.0865% (0.04 1.00 0.02 0.02) = 1.087% kept HG LEU 43 - HG2 PRO 86 4.167% * 1.0297% (0.04 1.00 0.02 0.02) = 1.030% kept HG LEU 74 - HG3 ARG+ 53 4.167% * 0.6960% (0.03 1.00 0.02 0.02) = 0.696% QB ALA 70 - HG2 PRO 86 4.167% * 0.6544% (0.03 1.00 0.02 0.02) = 0.654% HG LEU 9 - HG2 PRO 86 4.167% * 0.5429% (0.02 1.00 0.02 0.02) = 0.543% QG2 VAL 80 - HG3 ARG+ 53 4.167% * 0.5249% (0.02 1.00 0.02 0.02) = 0.525% QG2 VAL 80 - HG3 PRO 86 4.167% * 0.4915% (0.02 1.00 0.02 0.02) = 0.491% QG2 VAL 80 - HG2 PRO 86 4.167% * 0.2456% (0.01 1.00 0.02 0.02) = 0.246% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 2575 (1.46, 1.68, 27.63 ppm): 5 chemical-shift based assignments, quality = 0.203, support = 0.538, residual support = 0.882: T HG LEU 90 - HG3 ARG+ 84 20.000% * 48.5447% (0.20 10.00 0.54 0.68) = 48.545% kept T HG LEU 74 - HG3 ARG+ 84 20.000% * 47.2433% (0.18 10.00 0.57 1.15) = 47.243% kept HB3 LEU 67 - HG3 ARG+ 84 20.000% * 3.8481% (0.59 1.00 0.14 0.22) = 3.848% kept QB ALA 70 - HG3 ARG+ 84 20.000% * 0.2186% (0.24 1.00 0.02 0.02) = 0.219% HB3 LYS+ 60 - HG3 ARG+ 84 20.000% * 0.1452% (0.16 1.00 0.02 0.02) = 0.145% 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): 30 chemical-shift based assignments, quality = 0.078, support = 0.957, residual support = 6.06: QG2 VAL 87 - HG3 PRO 86 3.333% * 58.8435% (0.09 1.51 8.41) = 58.843% kept QG2 VAL 87 - HG2 PRO 86 3.333% * 13.2369% (0.07 0.43 8.41) = 13.237% kept HG LEU 74 - HG3 PRO 86 3.333% * 5.9189% (0.10 0.13 0.02) = 5.919% kept HG LEU 74 - HG2 PRO 86 3.333% * 4.6969% (0.08 0.13 0.02) = 4.697% kept QG2 VAL 99 - HG3 PRO 86 3.333% * 1.4855% (0.16 0.02 0.02) = 1.486% kept QG2 VAL 73 - HG3 PRO 86 3.333% * 1.4822% (0.16 0.02 0.02) = 1.482% kept QG2 VAL 99 - HG2 PRO 86 3.333% * 1.1788% (0.13 0.02 0.02) = 1.179% kept QG2 VAL 73 - HG2 PRO 86 3.333% * 1.1762% (0.13 0.02 0.02) = 1.176% kept QD1 LEU 17 - HG3 PRO 86 3.333% * 1.0204% (0.11 0.02 0.02) = 1.020% kept QG1 VAL 105 - HG3 PRO 86 3.333% * 0.9610% (0.11 0.02 0.02) = 0.961% HG13 ILE 68 - HG3 PRO 86 3.333% * 0.8410% (0.09 0.02 0.02) = 0.841% QD1 LEU 17 - HG2 PRO 86 3.333% * 0.8098% (0.09 0.02 0.02) = 0.810% QG1 VAL 105 - HG2 PRO 86 3.333% * 0.7626% (0.08 0.02 0.02) = 0.763% QD1 LEU 67 - HG3 PRO 86 3.333% * 0.7231% (0.08 0.02 0.02) = 0.723% HG13 ILE 68 - HG2 PRO 86 3.333% * 0.6674% (0.07 0.02 0.02) = 0.667% QG1 VAL 47 - HG3 PRO 86 3.333% * 0.6107% (0.07 0.02 0.02) = 0.611% QD1 LEU 67 - HG2 PRO 86 3.333% * 0.5738% (0.06 0.02 0.02) = 0.574% QG2 VAL 105 - HG3 PRO 86 3.333% * 0.5575% (0.06 0.02 0.02) = 0.558% HG12 ILE 29 - HG3 PRO 86 3.333% * 0.5067% (0.06 0.02 0.02) = 0.507% QG1 VAL 47 - HG2 PRO 86 3.333% * 0.4846% (0.05 0.02 0.02) = 0.485% QG2 VAL 62 - HG3 PRO 86 3.333% * 0.4585% (0.05 0.02 0.02) = 0.459% QG2 VAL 105 - HG2 PRO 86 3.333% * 0.4424% (0.05 0.02 0.02) = 0.442% HG12 ILE 29 - HG2 PRO 86 3.333% * 0.4021% (0.04 0.02 0.02) = 0.402% QG2 ILE 29 - HG3 PRO 86 3.333% * 0.3704% (0.04 0.02 0.02) = 0.370% HG12 ILE 68 - HG3 PRO 86 3.333% * 0.3704% (0.04 0.02 0.02) = 0.370% QG2 VAL 62 - HG2 PRO 86 3.333% * 0.3638% (0.04 0.02 0.02) = 0.364% QG2 ILE 29 - HG2 PRO 86 3.333% * 0.2939% (0.03 0.02 0.02) = 0.294% HG12 ILE 68 - HG2 PRO 86 3.333% * 0.2939% (0.03 0.02 0.02) = 0.294% HG3 LYS+ 63 - HG3 PRO 86 3.333% * 0.2602% (0.03 0.02 0.02) = 0.260% HG3 LYS+ 63 - HG2 PRO 86 3.333% * 0.2065% (0.02 0.02 0.02) = 0.206% 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): 6 chemical-shift based assignments, quality = 0.349, support = 2.15, residual support = 11.8: T QD1 ILE 101 - HG LEU 74 16.667% * 94.5470% (0.36 10.00 2.15 12.00) = 94.547% kept HG13 ILE 101 - HG LEU 74 16.667% * 3.8992% (0.10 1.00 2.96 12.00) = 3.899% kept T QD1 LEU 23 - HG LEU 74 16.667% * 1.2270% (0.06 10.00 0.17 0.02) = 1.227% kept QD1 ILE 101 - QB ALA 103 16.667% * 0.1598% (0.13 1.00 0.09 1.36) = 0.160% HG13 ILE 101 - QB ALA 103 16.667% * 0.1054% (0.04 1.00 0.22 1.36) = 0.105% QD1 LEU 23 - QB ALA 103 16.667% * 0.0616% (0.02 1.00 0.23 0.02) = 0.062% Peak 2586 (0.46, 0.72, 27.61 ppm): 6 chemical-shift based assignments, quality = 0.0802, support = 3.37, residual support = 53.9: O T QD2 LEU 74 - HG LEU 74 16.667% * 69.3640% (0.05 10.0 10.00 4.26 76.40) = 69.364% kept QG2 ILE 68 - HG LEU 74 16.667% * 9.7302% (0.05 1.0 1.00 2.67 5.42) = 9.730% kept QD2 LEU 74 - HG2 PRO 59 16.667% * 8.0354% (0.25 1.0 1.00 0.46 0.02) = 8.035% kept QD2 LEU 43 - HG2 PRO 59 16.667% * 6.2952% (0.28 1.0 1.00 0.32 0.02) = 6.295% kept QD2 LEU 43 - HG LEU 74 16.667% * 6.2108% (0.06 1.0 1.00 1.56 5.32) = 6.211% kept QG2 ILE 68 - HG2 PRO 59 16.667% * 0.3643% (0.26 1.0 1.00 0.02 0.02) = 0.364% 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): 9 chemical-shift based assignments, quality = 0.574, support = 1.59, residual support = 3.03: T HA LEU 90 - HG LEU 17 11.111% * 39.3194% (0.23 10.00 1.27 2.76) = 39.319% kept HA ILE 29 - HG LEU 17 11.111% * 26.1927% (0.86 1.00 2.23 5.11) = 26.193% kept HA ASN 89 - HG LEU 17 11.111% * 19.7475% (0.76 1.00 1.89 2.91) = 19.747% kept HA VAL 73 - HG LEU 17 11.111% * 11.4006% (0.79 1.00 1.05 0.32) = 11.401% kept HA PRO 104 - HG LEU 17 11.111% * 2.9174% (0.62 1.00 0.34 0.02) = 2.917% kept HA PRO 112 - HG LEU 17 11.111% * 0.2458% (0.90 1.00 0.02 0.02) = 0.246% HA VAL 94 - HG LEU 17 11.111% * 0.0765% (0.28 1.00 0.02 0.02) = 0.077% HB THR 61 - HG LEU 17 11.111% * 0.0618% (0.23 1.00 0.02 0.02) = 0.062% HA THR 106 - HG LEU 17 11.111% * 0.0383% (0.14 1.00 0.02 0.02) = 0.038% Peak 2618 (4.32, 0.99, 26.96 ppm): 8 chemical-shift based assignments, quality = 0.0939, support = 2.09, residual support = 5.8: T HA VAL 73 - HG LEU 74 12.500% * 54.6255% (0.11 10.00 3.17 10.26) = 54.626% kept T HA ILE 29 - HG LEU 74 12.500% * 15.9434% (0.11 10.00 0.56 0.19) = 15.943% kept T HA VAL 94 - HG LEU 74 12.500% * 8.6366% (0.04 10.00 0.82 0.26) = 8.637% kept T HB THR 61 - HG LEU 74 12.500% * 7.0883% (0.03 10.00 0.82 0.36) = 7.088% kept T HA LEU 90 - HG LEU 74 12.500% * 5.6948% (0.03 10.00 0.82 0.02) = 5.695% kept HA ASN 89 - HG LEU 74 12.500% * 4.2063% (0.10 1.00 1.61 2.30) = 4.206% kept HA PRO 104 - HG LEU 74 12.500% * 2.2617% (0.08 1.00 1.13 0.59) = 2.262% kept HA PRO 112 - HG LEU 74 12.500% * 1.5433% (0.12 1.00 0.50 0.02) = 1.543% kept 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): 6 chemical-shift based assignments, quality = 0.322, support = 1.74, residual support = 4.74: T QG2 ILE 29 - HG LEU 17 16.667% * 54.7577% (0.32 10.00 1.85 5.11) = 54.758% kept T HG12 ILE 29 - HG LEU 17 16.667% * 34.8661% (0.24 10.00 1.59 5.11) = 34.866% kept HG LEU 74 - HG LEU 17 16.667% * 10.0123% (0.64 1.00 1.69 1.52) = 10.012% kept QG2 VAL 62 - HG LEU 17 16.667% * 0.2279% (0.26 1.00 0.09 0.02) = 0.228% HG3 LYS+ 63 - HG LEU 17 16.667% * 0.0768% (0.41 1.00 0.02 0.02) = 0.077% HG12 ILE 68 - HG LEU 17 16.667% * 0.0592% (0.32 1.00 0.02 0.02) = 0.059% Peak 2633 (0.84, 1.56, 27.04 ppm): 14 chemical-shift based assignments, quality = 0.671, support = 2.13, residual support = 17.9: T QD1 ILE 29 - HG LEU 17 7.143% * 61.5307% (0.89 1.0 10.00 1.74 5.11) = 61.531% kept O T QD2 LEU 17 - HG LEU 17 7.143% * 27.9900% (0.35 10.0 10.00 3.52 51.85) = 27.990% kept T QD2 LEU 90 - HG LEU 17 7.143% * 5.8329% (0.26 1.0 10.00 0.56 2.76) = 5.833% kept HG LEU 74 - HG LEU 17 7.143% * 2.4769% (0.37 1.0 1.00 1.69 1.52) = 2.477% kept T HG2 LYS+ 117 - HG LEU 17 7.143% * 0.6688% (0.84 1.0 10.00 0.02 0.02) = 0.669% T QG1 VAL 13 - HG LEU 17 7.143% * 0.6469% (0.82 1.0 10.00 0.02 0.02) = 0.647% T HG3 LYS+ 117 - HG LEU 17 7.143% * 0.5699% (0.72 1.0 10.00 0.02 0.02) = 0.570% QG2 VAL 13 - HG LEU 17 7.143% * 0.0705% (0.89 1.0 1.00 0.02 0.02) = 0.071% HG2 LYS+ 113 - HG LEU 17 7.143% * 0.0512% (0.65 1.0 1.00 0.02 0.02) = 0.051% HB ILE 101 - HG LEU 17 7.143% * 0.0452% (0.57 1.0 1.00 0.02 0.02) = 0.045% QG1 VAL 94 - HG LEU 17 7.143% * 0.0452% (0.57 1.0 1.00 0.02 0.02) = 0.045% HG3 LYS+ 113 - HG LEU 17 7.143% * 0.0363% (0.46 1.0 1.00 0.02 0.02) = 0.036% QD1 LEU 90 - HG LEU 17 7.143% * 0.0186% (0.23 1.0 1.00 0.02 2.76) = 0.019% QG2 ILE 100 - HG LEU 17 7.143% * 0.0166% (0.21 1.0 1.00 0.02 0.02) = 0.017% 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 = 1.79, residual support = 10.5: O HB VAL 80 - HA VAL 80 25.000% * 99.4271% (0.16 10.0 1.80 10.56) = 99.427% kept HB2 PRO 86 - HA VAL 80 25.000% * 0.2421% (0.34 1.0 0.02 0.02) = 0.242% HA1 GLY 58 - HA VAL 80 25.000% * 0.2324% (0.33 1.0 0.02 0.02) = 0.232% HG3 GLU- 64 - HA VAL 80 25.000% * 0.0984% (0.14 1.0 0.02 0.02) = 0.098% 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): 6 chemical-shift based assignments, quality = 0.146, support = 1.48, residual support = 4.9: T QB ALA 103 - HA THR 46 16.667% * 69.6610% (0.17 1.0 10.00 1.60 3.90) = 69.661% kept O QG2 THR 46 - HA THR 46 16.667% * 26.2737% (0.09 10.0 1.00 1.22 8.22) = 26.274% kept HG LEU 74 - HA THR 46 16.667% * 3.6316% (0.12 1.0 1.00 1.23 0.56) = 3.632% kept HB2 LYS+ 55 - HA THR 46 16.667% * 0.3750% (0.05 1.0 1.00 0.30 0.02) = 0.375% QB ALA 11 - HA THR 46 16.667% * 0.0365% (0.07 1.0 1.00 0.02 0.02) = 0.037% HB2 LEU 17 - HA THR 46 16.667% * 0.0221% (0.04 1.0 1.00 0.02 0.02) = 0.022% Peak 2649 (0.91, 3.45, 67.57 ppm): 13 chemical-shift based assignments, quality = 0.202, support = 1.02, residual support = 8.27: O QG1 VAL 80 - HA VAL 80 7.692% * 77.5447% (0.18 10.0 1.00 10.56) = 77.545% kept HG LEU 74 - HA VAL 80 7.692% * 19.0734% (0.34 1.0 1.27 0.45) = 19.073% kept QG2 VAL 73 - HA VAL 80 7.692% * 0.4506% (0.51 1.0 0.02 0.12) = 0.451% QG2 VAL 99 - HA VAL 80 7.692% * 0.4359% (0.50 1.0 0.02 0.02) = 0.436% HG13 ILE 68 - HA VAL 80 7.692% * 0.4359% (0.50 1.0 0.02 0.02) = 0.436% QG2 VAL 87 - HA VAL 80 7.692% * 0.4197% (0.48 1.0 0.02 0.02) = 0.420% QD1 LEU 67 - HA VAL 80 7.692% * 0.4024% (0.46 1.0 0.02 0.02) = 0.402% QG1 VAL 47 - HA VAL 80 7.692% * 0.3649% (0.42 1.0 0.02 0.02) = 0.365% QG2 VAL 105 - HA VAL 80 7.692% * 0.3452% (0.39 1.0 0.02 0.02) = 0.345% QD1 LEU 17 - HA VAL 80 7.692% * 0.1886% (0.21 1.0 0.02 0.02) = 0.189% QG1 VAL 105 - HA VAL 80 7.692% * 0.1714% (0.20 1.0 0.02 0.02) = 0.171% QG1 VAL 122 - HA VAL 80 7.692% * 0.0994% (0.11 1.0 0.02 0.02) = 0.099% HG12 ILE 29 - HA VAL 80 7.692% * 0.0680% (0.08 1.0 0.02 0.02) = 0.068% 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 = 0.44, support = 3.6, residual support = 33.9: O HN VAL 47 - HA VAL 47 16.667% * 93.8534% (0.44 10.0 3.80 36.12) = 93.853% kept QD PHE 34 - HA VAL 47 16.667% * 2.9547% (0.47 1.0 0.59 0.02) = 2.955% kept HZ PHE 34 - HA VAL 47 16.667% * 1.7486% (0.47 1.0 0.35 0.02) = 1.749% kept HN ARG+ 84 - HA VAL 47 16.667% * 1.2434% (0.42 1.0 0.28 0.02) = 1.243% kept HZ2 TRP 51 - HA VAL 47 16.667% * 0.0999% (0.47 1.0 0.02 2.88) = 0.100% QE PHE 34 - HA VAL 47 16.667% * 0.0999% (0.47 1.0 0.02 0.02) = 0.100% 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 = 0.433, support = 3.49, residual support = 35.1: O QG2 VAL 47 - HA VAL 47 7.143% * 55.6075% (0.49 10.0 3.72 36.12) = 55.608% kept O QG1 VAL 47 - HA VAL 47 7.143% * 41.3786% (0.37 10.0 3.33 36.12) = 41.379% kept HG LEU 74 - HA VAL 47 7.143% * 2.5703% (0.28 1.0 1.63 0.86) = 2.570% kept QG1 VAL 80 - HA VAL 47 7.143% * 0.0597% (0.53 1.0 0.02 0.02) = 0.060% QG1 VAL 122 - HA VAL 47 7.143% * 0.0597% (0.53 1.0 0.02 0.02) = 0.060% QG2 VAL 125 - HA VAL 47 7.143% * 0.0540% (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% * 0.0437% (0.39 1.0 0.02 0.02) = 0.044% QG2 VAL 122 - HA VAL 47 7.143% * 0.0365% (0.32 1.0 0.02 0.02) = 0.037% QD1 LEU 67 - HA VAL 47 7.143% * 0.0365% (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% * 0.0167% (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 = 0.876, support = 1.36, residual support = 0.957: HN ASN 57 - QD2 LEU 74 33.333% * 69.1129% (0.87 1.79 1.33) = 69.113% kept HN LYS+ 32 - QD2 LEU 74 33.333% * 16.5228% (0.91 0.41 0.11) = 16.523% kept HN LYS+ 60 - QD2 LEU 74 33.333% * 14.3643% (0.88 0.37 0.12) = 14.364% kept Peak 2668 (8.47, 0.45, 25.58 ppm): 6 chemical-shift based assignments, quality = 0.651, support = 3.68, residual support = 46.4: HN LEU 74 - QD2 LEU 74 16.667% * 60.5426% (0.55 5.54 76.40) = 60.543% kept HN LYS+ 113 - QD2 LEU 74 16.667% * 19.0016% (0.85 1.11 0.39) = 19.002% kept HN GLY 92 - QD2 LEU 74 16.667% * 11.6114% (0.85 0.68 0.02) = 11.611% kept HN GLU- 18 - QD2 LEU 74 16.667% * 4.4527% (0.47 0.47 1.47) = 4.453% kept HN GLU- 107 - QD2 LEU 74 16.667% * 4.2688% (0.90 0.24 0.02) = 4.269% kept HN GLU- 10 - QD2 LEU 74 16.667% * 0.1229% (0.31 0.02 0.02) = 0.123% 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 = 1.2, residual support = 5.24: HN LEU 43 - QD2 LEU 74 25.000% * 98.5201% (0.24 1.22 5.32) = 98.520% kept HN MET 126 - QD2 LEU 74 25.000% * 0.9143% (0.14 0.02 2.45) = 0.914% HN LYS+ 111 - QD2 LEU 74 25.000% * 0.2828% (0.04 0.02 0.02) = 0.283% HN SER 27 - QD2 LEU 74 25.000% * 0.2828% (0.04 0.02 0.02) = 0.283% Peak 2671 (4.99, 0.45, 25.51 ppm): 2 chemical-shift based assignments, quality = 0.898, support = 0.76, residual support = 5.34: HA ILE 68 - QD2 LEU 74 50.000% * 98.5439% (0.90 0.77 5.42) = 98.544% kept HA PHE 34 - QD2 LEU 74 50.000% * 1.4561% (0.51 0.02 0.30) = 1.456% kept Peak 2672 (3.72, 0.47, 25.58 ppm): 5 chemical-shift based assignments, quality = 0.412, support = 0.862, residual support = 3.96: HA LEU 43 - QD2 LEU 74 20.000% * 43.9033% (0.37 1.38 5.32) = 43.903% kept HA ASN 89 - QD2 LEU 74 20.000% * 21.5270% (0.46 0.55 2.30) = 21.527% kept HA ILE 48 - QD2 LEU 74 20.000% * 18.9689% (0.59 0.37 5.70) = 18.969% kept HD3 PRO 104 - QD2 LEU 74 20.000% * 8.3708% (0.19 0.52 0.59) = 8.371% kept HB2 HIS+ 4 - QD2 LEU 74 20.000% * 7.2301% (0.28 0.31 0.02) = 7.230% kept Peak 2673 (3.45, 0.48, 25.58 ppm): 9 chemical-shift based assignments, quality = 0.168, support = 0.542, residual support = 1.85: HB2 SER 69 - QD2 LEU 74 11.111% * 33.0603% (0.13 0.93 1.80) = 33.060% kept HA ASN 89 - QD2 LEU 74 11.111% * 20.1376% (0.14 0.55 2.30) = 20.138% kept HA VAL 62 - QD2 LEU 74 11.111% * 18.9588% (0.26 0.26 1.71) = 18.959% kept HD3 PRO 31 - QD2 LEU 74 11.111% * 15.5483% (0.21 0.27 0.02) = 15.548% kept HA ILE 48 - QD2 LEU 74 11.111% * 8.0108% (0.08 0.37 5.70) = 8.011% kept HA VAL 80 - QD2 LEU 74 11.111% * 1.8691% (0.34 0.02 0.45) = 1.869% kept HA1 GLY 71 - QD2 LEU 74 11.111% * 1.2199% (0.22 0.02 0.02) = 1.220% kept HB THR 79 - QD2 LEU 74 11.111% * 0.7753% (0.14 0.02 0.02) = 0.775% HA THR 39 - QD2 LEU 74 11.111% * 0.4198% (0.08 0.02 0.54) = 0.420% Not enough quality. Peak unassigned. Peak 2674 (2.11, 0.48, 25.60 ppm): 13 chemical-shift based assignments, quality = 0.219, support = 1.48, residual support = 3.74: HB3 GLU- 75 - QD2 LEU 74 7.692% * 39.1745% (0.25 2.18 4.49) = 39.174% kept HB3 LEU 43 - QD2 LEU 74 7.692% * 28.3863% (0.26 1.54 5.32) = 28.386% kept HG3 GLU- 56 - QD2 LEU 74 7.692% * 7.6884% (0.26 0.41 0.02) = 7.688% kept HB2 LEU 43 - QD2 LEU 74 7.692% * 6.7420% (0.08 1.16 5.32) = 6.742% kept HB VAL 87 - QD2 LEU 74 7.692% * 4.6495% (0.16 0.41 0.02) = 4.650% kept HB VAL 65 - QD2 LEU 74 7.692% * 2.9516% (0.17 0.24 0.02) = 2.952% kept HB VAL 125 - QD2 LEU 74 7.692% * 2.8110% (0.09 0.44 2.59) = 2.811% kept HA1 GLY 58 - QD2 LEU 74 7.692% * 2.6913% (0.05 0.71 0.39) = 2.691% kept HB2 ASP- 28 - QD2 LEU 74 7.692% * 2.5708% (0.08 0.44 0.49) = 2.571% kept HB2 LYS+ 110 - QD2 LEU 74 7.692% * 2.0777% (0.07 0.44 0.58) = 2.078% kept HB VAL 47 - QD2 LEU 74 7.692% * 0.1163% (0.08 0.02 0.86) = 0.116% HD3 LYS+ 110 - QD2 LEU 74 7.692% * 0.0746% (0.05 0.02 0.58) = 0.075% HG3 GLN 102 - QD2 LEU 74 7.692% * 0.0660% (0.05 0.02 0.02) = 0.066% 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): 10 chemical-shift based assignments, quality = 0.196, support = 1.26, residual support = 12.2: HB2 LEU 67 - QD2 LEU 74 10.000% * 44.1818% (0.21 1.73 26.34) = 44.182% kept HB3 MET 97 - QD2 LEU 74 10.000% * 27.5332% (0.24 0.91 0.68) = 27.533% kept HG3 ARG+ 84 - QD2 LEU 74 10.000% * 20.9366% (0.17 1.01 1.15) = 20.937% kept HB3 MET 126 - QD2 LEU 74 10.000% * 4.4058% (0.05 0.72 2.45) = 4.406% kept HB3 ARG+ 22 - QD2 LEU 74 10.000% * 0.6603% (0.27 0.02 1.59) = 0.660% HG LEU 23 - QD2 LEU 74 10.000% * 0.5740% (0.23 0.02 0.02) = 0.574% HB ILE 100 - QD2 LEU 74 10.000% * 0.5114% (0.21 0.02 8.25) = 0.511% HG12 ILE 101 - QD2 LEU 74 10.000% * 0.5114% (0.21 0.02 12.00) = 0.511% HB2 HIS+ 8 - QD2 LEU 74 10.000% * 0.4159% (0.17 0.02 0.02) = 0.416% HG3 LYS+ 78 - QD2 LEU 74 10.000% * 0.2696% (0.11 0.02 0.02) = 0.270% Peak 2677 (1.46, 0.47, 25.55 ppm): 7 chemical-shift based assignments, quality = 0.279, support = 2.42, residual support = 44.2: T HB3 LEU 67 - QD2 LEU 74 14.286% * 62.3209% (0.36 1.0 10.00 1.40 26.34) = 62.321% kept O T HG LEU 74 - QD2 LEU 74 14.286% * 36.4313% (0.15 10.0 10.00 4.26 76.40) = 36.431% kept HB3 LYS+ 60 - QD2 LEU 74 14.286% * 0.9091% (0.22 1.0 1.00 0.33 0.12) = 0.909% HD3 LYS+ 113 - QD2 LEU 74 14.286% * 0.2193% (0.11 1.0 1.00 0.16 0.39) = 0.219% HG LEU 90 - QD2 LEU 74 14.286% * 0.0645% (0.26 1.0 1.00 0.02 0.02) = 0.065% HG3 LYS+ 55 - QD2 LEU 74 14.286% * 0.0306% (0.12 1.0 1.00 0.02 0.02) = 0.031% QB ALA 70 - QD2 LEU 74 14.286% * 0.0243% (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 = 3.26, residual support = 48.8: T HB ILE 68 - QD2 LEU 74 16.667% * 38.0080% (0.55 1.0 10.00 2.07 5.42) = 38.008% kept O T HG LEU 74 - QD2 LEU 74 16.667% * 36.5761% (0.53 10.0 10.00 4.26 76.40) = 36.576% kept O HB2 LEU 74 - QD2 LEU 74 16.667% * 24.6423% (0.36 10.0 1.00 3.70 76.40) = 24.642% kept QG2 THR 106 - QD2 LEU 74 16.667% * 0.7390% (0.29 1.0 1.00 0.74 0.75) = 0.739% HB3 LYS+ 66 - QD2 LEU 74 16.667% * 0.0262% (0.38 1.0 1.00 0.02 1.22) = 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 = 3.65, residual support = 62.5: O HG LEU 74 - QD2 LEU 74 7.143% * 79.3850% (0.19 10.0 4.26 76.40) = 79.385% kept HG13 ILE 68 - QD2 LEU 74 7.143% * 9.2984% (0.21 1.0 2.05 5.42) = 9.298% kept QG2 VAL 125 - QD2 LEU 74 7.143% * 4.6837% (0.29 1.0 0.75 2.59) = 4.684% kept QD1 LEU 67 - QD2 LEU 74 7.143% * 4.4965% (0.24 1.0 0.87 26.34) = 4.497% kept QG2 VAL 87 - QD2 LEU 74 7.143% * 0.6833% (0.23 1.0 0.14 0.02) = 0.683% QG1 VAL 47 - QD2 LEU 74 7.143% * 0.6403% (0.27 1.0 0.11 0.86) = 0.640% QG1 VAL 80 - QD2 LEU 74 7.143% * 0.1496% (0.35 1.0 0.02 0.45) = 0.150% QG1 VAL 122 - QD2 LEU 74 7.143% * 0.1444% (0.34 1.0 0.02 4.52) = 0.144% QG2 VAL 47 - QD2 LEU 74 7.143% * 0.1298% (0.31 1.0 0.02 0.86) = 0.130% QG1 VAL 40 - QD2 LEU 74 7.143% * 0.1198% (0.28 1.0 0.02 0.02) = 0.120% QG2 VAL 105 - QD2 LEU 74 7.143% * 0.1198% (0.28 1.0 0.02 0.62) = 0.120% QG2 VAL 122 - QD2 LEU 74 7.143% * 0.0787% (0.19 1.0 0.02 4.52) = 0.079% QG2 ILE 100 - QD2 LEU 74 7.143% * 0.0373% (0.09 1.0 0.02 8.25) = 0.037% QD1 LEU 90 - QD2 LEU 74 7.143% * 0.0333% (0.08 1.0 0.02 0.02) = 0.033% 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 = 3.53, residual support = 76.4: O T QD1 LEU 74 - QD2 LEU 74 100.000% *100.0000% (0.44 10.0 10.00 3.53 76.40) = 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 = 0.126, support = 0.309, residual support = 0.168: HN THR 39 - QD1 LEU 90 12.500% * 47.0242% (0.13 0.46 0.22) = 47.024% kept HN VAL 73 - QD1 LEU 17 12.500% * 17.4270% (0.06 0.35 0.32) = 17.427% kept HN LYS+ 20 - QD1 LEU 90 12.500% * 14.3397% (0.19 0.10 0.02) = 14.340% kept HN LYS+ 20 - QD1 LEU 17 12.500% * 10.6212% (0.13 0.11 0.02) = 10.621% kept HN VAL 73 - QD1 LEU 90 12.500% * 5.9616% (0.10 0.08 0.02) = 5.962% kept HN VAL 80 - QD1 LEU 90 12.500% * 1.9309% (0.13 0.02 0.02) = 1.931% kept HN THR 39 - QD1 LEU 17 12.500% * 1.3881% (0.09 0.02 0.02) = 1.388% kept HN VAL 80 - QD1 LEU 17 12.500% * 1.3073% (0.09 0.02 0.02) = 1.307% kept Not enough quality. Peak unassigned. Peak 2694 (7.84, 1.40, 25.25 ppm): 6 chemical-shift based assignments, quality = 0.16, support = 0.186, residual support = 0.0199: HN THR 38 - HG3 LYS+ 108 16.667% * 67.0463% (0.15 0.25 0.02) = 67.046% kept HN LYS+ 63 - HG3 LYS+ 108 16.667% * 11.3753% (0.31 0.02 0.02) = 11.375% kept HN LYS+ 63 - HG3 LYS+ 55 16.667% * 11.1264% (0.04 0.14 0.02) = 11.126% kept HD22 ASN 89 - HG3 LYS+ 108 16.667% * 8.5592% (0.23 0.02 0.02) = 8.559% kept HD22 ASN 89 - HG3 LYS+ 55 16.667% * 1.1583% (0.03 0.02 0.02) = 1.158% kept HN THR 38 - HG3 LYS+ 55 16.667% * 0.7345% (0.02 0.02 0.02) = 0.734% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 2695 (4.04, 0.90, 25.23 ppm): 12 chemical-shift based assignments, quality = 0.21, support = 2.08, residual support = 8.58: HA ASN 89 - QD1 LEU 90 8.333% * 60.3664% (0.24 1.00 2.61 12.86) = 60.366% kept HA ASN 89 - QD1 LEU 17 8.333% * 27.8551% (0.16 1.00 1.80 2.91) = 27.855% kept T HA LYS+ 44 - QD1 LEU 90 8.333% * 4.2527% (0.22 10.00 0.02 0.02) = 4.253% kept T HA LYS+ 44 - QD1 LEU 17 8.333% * 2.8508% (0.15 10.00 0.02 0.02) = 2.851% kept T HB3 SER 77 - QD1 LEU 17 8.333% * 1.7682% (0.09 10.00 0.02 0.02) = 1.768% kept T HB THR 38 - QD1 LEU 17 8.333% * 1.5108% (0.08 10.00 0.02 0.02) = 1.511% kept HB3 SER 85 - QD1 LEU 90 8.333% * 0.4274% (0.23 1.00 0.02 0.02) = 0.427% HB3 SER 85 - QD1 LEU 17 8.333% * 0.2865% (0.15 1.00 0.02 0.02) = 0.287% HB3 SER 77 - QD1 LEU 90 8.333% * 0.2638% (0.14 1.00 0.02 0.02) = 0.264% HB THR 38 - QD1 LEU 90 8.333% * 0.2254% (0.12 1.00 0.02 0.02) = 0.225% HB2 SER 49 - QD1 LEU 90 8.333% * 0.1155% (0.06 1.00 0.02 0.02) = 0.115% HB2 SER 49 - QD1 LEU 17 8.333% * 0.0774% (0.04 1.00 0.02 0.02) = 0.077% Peak 2696 (3.50, 1.95, 25.37 ppm): 4 chemical-shift based assignments, quality = 0.578, support = 2.94, residual support = 6.78: HA1 GLY 30 - HG3 PRO 31 25.000% * 76.4274% (0.60 3.67 8.81) = 76.427% kept HB3 SER 69 - HG3 PRO 31 25.000% * 13.5167% (0.69 0.56 0.11) = 13.517% kept HA ASN 89 - HG3 PRO 31 25.000% * 5.9786% (0.31 0.55 0.43) = 5.979% kept HA ILE 48 - HG3 PRO 31 25.000% * 4.0773% (0.27 0.44 0.23) = 4.077% kept Peak 2697 (3.49, 1.77, 25.40 ppm): 6 chemical-shift based assignments, quality = 0.378, support = 4.2, residual support = 13.0: HA1 GLY 30 - HG2 PRO 31 16.667% * 49.0763% (0.57 1.0 1.00 5.57 8.81) = 49.076% kept O T HD3 PRO 31 - HG2 PRO 31 16.667% * 39.3270% (0.13 10.0 10.00 3.45 21.90) = 39.327% kept HB3 SER 69 - HG2 PRO 31 16.667% * 8.5646% (0.51 1.0 1.00 1.08 0.11) = 8.565% kept HA ASN 89 - HG2 PRO 31 16.667% * 2.1583% (0.25 1.0 1.00 0.55 0.43) = 2.158% kept HA ILE 48 - HG2 PRO 31 16.667% * 0.8388% (0.21 1.0 1.00 0.26 0.23) = 0.839% HA1 GLY 71 - HG2 PRO 31 16.667% * 0.0350% (0.11 1.0 1.00 0.02 0.02) = 0.035% Peak 2698 (2.27, 0.90, 25.33 ppm): 10 chemical-shift based assignments, quality = 0.0644, support = 0.617, residual support = 0.393: HA1 GLY 58 - QD1 LEU 17 10.000% * 49.5587% (0.06 1.00 0.82 0.57) = 49.559% kept HA1 GLY 58 - QD1 LEU 90 10.000% * 39.2323% (0.07 1.00 0.54 0.27) = 39.232% kept T HB2 PRO 86 - QD1 LEU 17 10.000% * 4.7539% (0.02 10.00 0.02 0.02) = 4.754% kept HB VAL 80 - QD1 LEU 90 10.000% * 1.8404% (0.09 1.00 0.02 0.02) = 1.840% kept HB VAL 80 - QD1 LEU 17 10.000% * 1.5368% (0.08 1.00 0.02 0.02) = 1.537% kept HG2 GLU- 56 - QD1 LEU 90 10.000% * 0.7237% (0.04 1.00 0.02 0.02) = 0.724% HG3 GLU- 10 - QD1 LEU 90 10.000% * 0.6433% (0.03 1.00 0.02 0.02) = 0.643% HG2 GLU- 56 - QD1 LEU 17 10.000% * 0.6043% (0.03 1.00 0.02 0.02) = 0.604% HB2 PRO 86 - QD1 LEU 90 10.000% * 0.5693% (0.03 1.00 0.02 0.02) = 0.569% HG3 GLU- 10 - QD1 LEU 17 10.000% * 0.5372% (0.03 1.00 0.02 0.02) = 0.537% 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 = 0.493, support = 3.1, residual support = 21.5: O T HG3 PRO 31 - HG2 PRO 31 9.091% * 98.0191% (0.50 10.0 10.00 3.16 21.90) = 98.019% kept T HB3 LYS+ 55 - HG2 PRO 31 9.091% * 0.9481% (0.49 1.0 10.00 0.02 0.02) = 0.948% T HB2 PRO 116 - HG2 PRO 31 9.091% * 0.4102% (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 13 - HG2 PRO 31 9.091% * 0.1083% (0.56 1.0 1.00 0.02 0.02) = 0.108% HB VAL 122 - HG2 PRO 31 9.091% * 0.1055% (0.54 1.0 1.00 0.02 0.02) = 0.105% 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% 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 0.45) = 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): 9 chemical-shift based assignments, quality = 0.637, support = 1.76, residual support = 10.1: HB2 GLN 16 - QD2 LEU 17 11.111% * 79.8095% (0.68 2.08 12.53) = 79.810% kept HB3 GLU- 50 - QD2 LEU 17 11.111% * 15.7092% (0.45 0.62 0.32) = 15.709% kept HB ILE 48 - QD2 LEU 17 11.111% * 3.5411% (0.69 0.09 0.02) = 3.541% kept HB ILE 48 - HG2 LYS+ 117 11.111% * 0.2062% (0.18 0.02 0.02) = 0.206% HB2 GLN 16 - HG2 LYS+ 117 11.111% * 0.2039% (0.18 0.02 0.02) = 0.204% HB ILE 48 - HG3 LYS+ 117 11.111% * 0.1497% (0.13 0.02 0.02) = 0.150% HB2 GLN 16 - HG3 LYS+ 117 11.111% * 0.1481% (0.13 0.02 0.02) = 0.148% HB3 GLU- 50 - HG2 LYS+ 117 11.111% * 0.1346% (0.12 0.02 0.02) = 0.135% HB3 GLU- 50 - HG3 LYS+ 117 11.111% * 0.0977% (0.09 0.02 0.02) = 0.098% Peak 2705 (0.73, 3.44, 66.58 ppm): 11 chemical-shift based assignments, quality = 0.605, support = 1.03, residual support = 3.23: QD1 LEU 9 - HA VAL 62 9.091% * 32.5639% (0.84 0.99 1.52) = 32.564% kept QD2 LEU 9 - HA VAL 62 9.091% * 23.7383% (0.89 0.68 1.52) = 23.738% kept QG2 ILE 48 - HA VAL 62 9.091% * 20.0310% (0.43 1.18 10.27) = 20.031% kept HG LEU 74 - HA VAL 62 9.091% * 11.2384% (0.15 1.90 1.71) = 11.238% kept HB2 LEU 9 - HA VAL 62 9.091% * 6.2087% (0.14 1.15 1.52) = 6.209% kept HG3 LYS+ 44 - HA VAL 62 9.091% * 3.9220% (0.14 0.73 0.85) = 3.922% kept QD1 ILE 68 - HA VAL 62 9.091% * 0.6988% (0.89 0.02 0.02) = 0.699% QG2 VAL 40 - HA VAL 62 9.091% * 0.6451% (0.82 0.02 0.02) = 0.645% HG3 LYS+ 66 - HA VAL 62 9.091% * 0.5837% (0.75 0.02 0.02) = 0.584% QG2 ILE 101 - HA VAL 62 9.091% * 0.2623% (0.34 0.02 0.02) = 0.262% HG2 PRO 59 - HA VAL 62 9.091% * 0.1078% (0.14 0.02 0.02) = 0.108% Peak 2706 (0.69, 1.77, 25.28 ppm): 9 chemical-shift based assignments, quality = 0.314, support = 0.808, residual support = 1.81: HG12 ILE 19 - HG2 PRO 31 11.111% * 59.1696% (0.34 1.16 2.27) = 59.170% kept QD1 ILE 19 - HG2 PRO 31 11.111% * 20.3815% (0.34 0.40 2.27) = 20.382% kept HB2 LEU 9 - HG2 PRO 31 11.111% * 7.5003% (0.21 0.24 0.02) = 7.500% kept HG LEU 67 - HG2 PRO 31 11.111% * 7.0731% (0.22 0.21 0.02) = 7.073% kept HG2 PRO 59 - HG2 PRO 31 11.111% * 3.6540% (0.21 0.12 0.02) = 3.654% kept QG2 VAL 94 - HG2 PRO 31 11.111% * 1.0199% (0.34 0.02 0.02) = 1.020% kept QG1 VAL 62 - HG2 PRO 31 11.111% * 0.6598% (0.22 0.02 0.02) = 0.660% QG2 ILE 101 - HG2 PRO 31 11.111% * 0.3148% (0.11 0.02 0.02) = 0.315% QG2 ILE 48 - HG2 PRO 31 11.111% * 0.2271% (0.08 0.02 0.23) = 0.227% Peak 2708 (8.96, 1.03, 24.99 ppm): 5 chemical-shift based assignments, quality = 0.0649, support = 1.74, residual support = 2.66: HN MET 97 - HG2 LYS+ 20 20.000% * 50.4527% (0.09 1.88 3.00) = 50.453% kept HN ARG+ 22 - HG2 LYS+ 20 20.000% * 19.4297% (0.04 1.58 0.96) = 19.430% kept HN PHE 21 - HG2 LYS+ 20 20.000% * 18.5226% (0.03 2.43 5.20) = 18.523% kept HN LEU 17 - HG2 LYS+ 20 20.000% * 6.8911% (0.09 0.25 0.02) = 6.891% kept HN THR 96 - HG2 LYS+ 20 20.000% * 4.7038% (0.03 0.46 0.02) = 4.704% kept Not enough quality. Peak unassigned. 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): 7 chemical-shift based assignments, quality = 0.0775, support = 0.979, residual support = 1.24: HN GLU- 109 - HG3 LYS+ 108 14.286% * 35.2085% (0.02 2.28 3.41) = 35.209% kept HN ASN 76 - HG3 LYS+ 108 14.286% * 32.1362% (0.12 0.32 0.02) = 32.136% kept HN GLY 114 - HG3 LYS+ 108 14.286% * 26.1363% (0.12 0.27 0.12) = 26.136% kept HN LEU 9 - HG3 LYS+ 108 14.286% * 3.0103% (0.02 0.15 0.02) = 3.010% kept HN VAL 99 - HG3 LYS+ 108 14.286% * 1.6743% (0.10 0.02 0.02) = 1.674% kept HN GLU- 50 - HG3 LYS+ 108 14.286% * 1.2158% (0.07 0.02 0.02) = 1.216% kept HN ALA 91 - HG3 LYS+ 108 14.286% * 0.6187% (0.04 0.02 0.02) = 0.619% Not enough quality. Peak unassigned. Peak 2712 (4.79, 0.90, 24.99 ppm): 12 chemical-shift based assignments, quality = 0.0706, support = 1.34, residual support = 4.71: HA ASN 89 - QD1 LEU 90 8.333% * 30.1219% (0.04 2.61 12.86) = 30.122% kept HA ASN 89 - QD1 LEU 17 8.333% * 19.7403% (0.03 1.80 2.91) = 19.740% kept HA ASP- 115 - QD1 LEU 90 8.333% * 19.5929% (0.11 0.53 0.02) = 19.593% kept HA ASN 15 - QD1 LEU 17 8.333% * 17.2397% (0.12 0.44 1.49) = 17.240% kept HA ASN 15 - QD1 LEU 90 8.333% * 7.7118% (0.13 0.19 0.02) = 7.712% kept HA GLU- 107 - QD1 LEU 17 8.333% * 1.2200% (0.03 0.11 0.02) = 1.220% kept HA LYS+ 113 - QD1 LEU 90 8.333% * 0.9177% (0.14 0.02 0.02) = 0.918% HA LYS+ 113 - QD1 LEU 17 8.333% * 0.8737% (0.13 0.02 0.02) = 0.874% HA PRO 116 - QD1 LEU 90 8.333% * 0.8471% (0.13 0.02 0.18) = 0.847% HA PRO 116 - QD1 LEU 17 8.333% * 0.8065% (0.12 0.02 0.02) = 0.807% HA ASP- 115 - QD1 LEU 17 8.333% * 0.6996% (0.11 0.02 0.02) = 0.700% HA GLU- 107 - QD1 LEU 90 8.333% * 0.2288% (0.04 0.02 0.02) = 0.229% Peak 2713 (4.52, 1.41, 25.08 ppm): 9 chemical-shift based assignments, quality = 0.446, support = 0.234, residual support = 0.141: HA ASN 89 - HG3 LYS+ 108 11.111% * 37.4596% (0.46 0.30 0.02) = 37.460% kept HA VAL 73 - HG3 LYS+ 108 11.111% * 24.5974% (0.24 0.38 0.50) = 24.597% kept HA LYS+ 78 - HG3 LYS+ 108 11.111% * 16.2835% (0.80 0.08 0.02) = 16.284% kept HA LYS+ 55 - HG3 LYS+ 108 11.111% * 13.0028% (0.40 0.12 0.02) = 13.003% kept HA GLU- 10 - HG3 LYS+ 108 11.111% * 2.8593% (0.53 0.02 0.02) = 2.859% kept HB THR 46 - HG3 LYS+ 108 11.111% * 2.1514% (0.40 0.02 0.13) = 2.151% kept HA LEU 17 - HG3 LYS+ 108 11.111% * 1.5077% (0.28 0.02 0.02) = 1.508% kept HA THR 79 - HG3 LYS+ 108 11.111% * 1.3642% (0.25 0.02 0.02) = 1.364% kept HA SER 77 - HG3 LYS+ 108 11.111% * 0.7741% (0.14 0.02 0.02) = 0.774% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 2714 (4.50, 1.28, 25.06 ppm): 16 chemical-shift based assignments, quality = 0.51, support = 1.0, residual support = 2.51: HA LYS+ 55 - HG2 LYS+ 32 6.250% * 32.7652% (0.87 0.70 2.36) = 32.765% kept HB THR 46 - QB ALA 103 6.250% * 13.4473% (0.14 1.73 3.90) = 13.447% kept HA ASN 89 - HG2 LYS+ 32 6.250% * 12.5726% (0.53 0.44 0.95) = 12.573% kept HA ASN 89 - QB ALA 103 6.250% * 12.5603% (0.09 2.65 8.16) = 12.560% kept HB THR 46 - HG2 LYS+ 32 6.250% * 9.7690% (0.87 0.21 0.02) = 9.769% kept HA LYS+ 55 - QB ALA 103 6.250% * 7.4089% (0.14 0.95 0.46) = 7.409% kept HA CYS 123 - HG2 LYS+ 32 6.250% * 4.3177% (0.71 0.11 0.02) = 4.318% kept HA VAL 73 - QB ALA 103 6.250% * 4.2606% (0.06 1.34 0.71) = 4.261% kept HA SER 77 - HG2 LYS+ 32 6.250% * 0.8555% (0.79 0.02 0.02) = 0.856% HA ASN 76 - HG2 LYS+ 32 6.250% * 0.5786% (0.54 0.02 0.02) = 0.579% HA LYS+ 78 - QB ALA 103 6.250% * 0.4515% (0.04 0.20 0.02) = 0.452% HA VAL 73 - HG2 LYS+ 32 6.250% * 0.3818% (0.35 0.02 0.02) = 0.382% HA LYS+ 78 - HG2 LYS+ 32 6.250% * 0.2652% (0.25 0.02 0.02) = 0.265% HA SER 77 - QB ALA 103 6.250% * 0.1423% (0.13 0.02 0.02) = 0.142% HA CYS 123 - QB ALA 103 6.250% * 0.1271% (0.12 0.02 0.02) = 0.127% HA ASN 76 - QB ALA 103 6.250% * 0.0963% (0.09 0.02 0.02) = 0.096% Peak 2715 (4.35, 1.44, 25.03 ppm): 14 chemical-shift based assignments, quality = 0.461, support = 0.318, residual support = 0.168: HA VAL 73 - HG3 LYS+ 108 7.143% * 25.8190% (0.52 0.38 0.50) = 25.819% kept HA LYS+ 117 - HG3 LYS+ 108 7.143% * 25.0815% (0.48 0.40 0.12) = 25.081% kept HA1 GLY 26 - HG3 LYS+ 108 7.143% * 21.4019% (0.53 0.31 0.02) = 21.402% kept HA ASN 89 - HG3 LYS+ 108 7.143% * 16.4293% (0.42 0.30 0.02) = 16.429% kept HA ASN 57 - HG3 LYS+ 108 7.143% * 1.8583% (0.15 0.10 0.02) = 1.858% kept HA ALA 37 - HG3 LYS+ 108 7.143% * 1.6673% (0.16 0.08 0.02) = 1.667% kept HA HIS+ 3 - HG3 LYS+ 108 7.143% * 1.3705% (0.53 0.02 0.02) = 1.371% kept HA MET 1 - HG3 LYS+ 108 7.143% * 1.3345% (0.51 0.02 0.02) = 1.334% kept HA2 GLY 26 - HG3 LYS+ 108 7.143% * 1.1072% (0.42 0.02 0.02) = 1.107% kept HB THR 61 - HG3 LYS+ 108 7.143% * 0.9498% (0.36 0.02 0.02) = 0.950% HB3 HIS+ 4 - HG3 LYS+ 108 7.143% * 0.9498% (0.36 0.02 0.02) = 0.950% HA VAL 94 - HG3 LYS+ 108 7.143% * 0.8387% (0.32 0.02 0.14) = 0.839% HA THR 38 - HG3 LYS+ 108 7.143% * 0.6731% (0.26 0.02 0.02) = 0.673% HA LYS+ 60 - HG3 LYS+ 108 7.143% * 0.5190% (0.20 0.02 0.02) = 0.519% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 2716 (4.36, 1.33, 25.04 ppm): 30 chemical-shift based assignments, quality = 0.396, support = 1.6, residual support = 3.53: HA ASN 89 - QB ALA 103 3.333% * 37.7808% (0.43 2.65 8.16) = 37.781% kept HA VAL 73 - QB ALA 103 3.333% * 24.2037% (0.54 1.34 0.71) = 24.204% kept HA ASN 89 - HG3 LYS+ 20 3.333% * 12.2235% (0.29 1.26 0.70) = 12.224% kept HA ASN 57 - QB ALA 103 3.333% * 8.0354% (0.29 0.84 0.02) = 8.035% kept HA LYS+ 117 - QB ALA 103 3.333% * 5.8754% (0.54 0.32 0.02) = 5.875% kept HA VAL 94 - HG3 LYS+ 20 3.333% * 3.1709% (0.13 0.75 5.49) = 3.171% kept HA TRP 51 - QB ALA 103 3.333% * 2.4794% (0.17 0.44 0.02) = 2.479% kept HA LYS+ 60 - HG3 LYS+ 20 3.333% * 1.2893% (0.24 0.16 0.85) = 1.289% kept HA2 GLY 26 - QB ALA 103 3.333% * 0.3546% (0.53 0.02 0.02) = 0.355% HA MET 1 - QB ALA 103 3.333% * 0.3546% (0.53 0.02 0.02) = 0.355% HB3 HIS+ 4 - QB ALA 103 3.333% * 0.3339% (0.50 0.02 0.02) = 0.334% HA1 GLY 26 - QB ALA 103 3.333% * 0.3339% (0.50 0.02 0.02) = 0.334% HA HIS+ 3 - QB ALA 103 3.333% * 0.3022% (0.46 0.02 0.02) = 0.302% HA THR 38 - QB ALA 103 3.333% * 0.2765% (0.42 0.02 0.02) = 0.276% HA LYS+ 117 - HG3 LYS+ 20 3.333% * 0.2468% (0.37 0.02 2.04) = 0.247% HA VAL 73 - HG3 LYS+ 20 3.333% * 0.2462% (0.37 0.02 0.02) = 0.246% HA MET 1 - HG3 LYS+ 20 3.333% * 0.2420% (0.36 0.02 0.02) = 0.242% HA2 GLY 26 - HG3 LYS+ 20 3.333% * 0.2420% (0.36 0.02 0.02) = 0.242% HA LYS+ 60 - QB ALA 103 3.333% * 0.2340% (0.35 0.02 0.02) = 0.234% HB3 HIS+ 4 - HG3 LYS+ 20 3.333% * 0.2279% (0.34 0.02 0.02) = 0.228% HA1 GLY 26 - HG3 LYS+ 20 3.333% * 0.2279% (0.34 0.02 0.02) = 0.228% HA HIS+ 3 - HG3 LYS+ 20 3.333% * 0.2062% (0.31 0.02 0.02) = 0.206% HA ALA 37 - QB ALA 103 3.333% * 0.2048% (0.31 0.02 0.02) = 0.205% HA THR 38 - HG3 LYS+ 20 3.333% * 0.1886% (0.28 0.02 0.02) = 0.189% HB THR 61 - QB ALA 103 3.333% * 0.1487% (0.22 0.02 0.02) = 0.149% HA ALA 37 - HG3 LYS+ 20 3.333% * 0.1398% (0.21 0.02 0.02) = 0.140% HA ASN 57 - HG3 LYS+ 20 3.333% * 0.1299% (0.20 0.02 0.02) = 0.130% HA VAL 94 - QB ALA 103 3.333% * 0.1234% (0.19 0.02 0.02) = 0.123% HB THR 61 - HG3 LYS+ 20 3.333% * 0.1015% (0.15 0.02 0.02) = 0.101% HA TRP 51 - HG3 LYS+ 20 3.333% * 0.0762% (0.11 0.02 0.02) = 0.076% Peak 2717 (4.30, 0.91, 25.09 ppm): 26 chemical-shift based assignments, quality = 0.326, support = 1.53, residual support = 2.61: HA LEU 90 - QD1 LEU 17 3.846% * 40.1620% (0.35 1.89 2.76) = 40.162% kept HA ASN 89 - QD1 LEU 17 3.846% * 36.6918% (0.33 1.80 2.91) = 36.692% kept HA VAL 73 - QD1 LEU 17 3.846% * 11.9719% (0.31 0.64 0.32) = 11.972% kept HA ILE 29 - QD1 LEU 17 3.846% * 7.6976% (0.27 0.47 5.11) = 7.698% kept HA PRO 104 - QD1 LEU 17 3.846% * 1.7331% (0.37 0.08 0.02) = 1.733% kept HA THR 106 - QD1 LEU 17 3.846% * 0.3627% (0.30 0.02 0.02) = 0.363% HA PRO 112 - QD1 LEU 17 3.846% * 0.1951% (0.16 0.02 0.02) = 0.195% HA ALA 91 - QD1 LEU 17 3.846% * 0.1465% (0.12 0.02 0.11) = 0.146% HA SER 85 - QD1 LEU 17 3.846% * 0.1320% (0.11 0.02 0.02) = 0.132% HD3 PRO 59 - QD1 LEU 17 3.846% * 0.1320% (0.11 0.02 0.02) = 0.132% HA PRO 52 - QD1 LEU 17 3.846% * 0.1320% (0.11 0.02 0.02) = 0.132% HA VAL 65 - QD1 LEU 17 3.846% * 0.1057% (0.09 0.02 0.02) = 0.106% HA ARG+ 84 - QD1 LEU 17 3.846% * 0.0939% (0.08 0.02 0.13) = 0.094% HA PRO 104 - HG3 LYS+ 63 3.846% * 0.0607% (0.05 0.02 0.02) = 0.061% HA LEU 90 - HG3 LYS+ 63 3.846% * 0.0576% (0.05 0.02 0.02) = 0.058% HA ASN 89 - HG3 LYS+ 63 3.846% * 0.0552% (0.05 0.02 0.02) = 0.055% HA VAL 73 - HG3 LYS+ 63 3.846% * 0.0504% (0.04 0.02 0.02) = 0.050% HA THR 106 - HG3 LYS+ 63 3.846% * 0.0491% (0.04 0.02 0.02) = 0.049% HA ILE 29 - HG3 LYS+ 63 3.846% * 0.0441% (0.04 0.02 0.02) = 0.044% HA PRO 112 - HG3 LYS+ 63 3.846% * 0.0264% (0.02 0.02 0.02) = 0.026% HA ALA 91 - HG3 LYS+ 63 3.846% * 0.0198% (0.02 0.02 0.02) = 0.020% HA SER 85 - HG3 LYS+ 63 3.846% * 0.0178% (0.01 0.02 0.02) = 0.018% HA PRO 52 - HG3 LYS+ 63 3.846% * 0.0178% (0.01 0.02 0.02) = 0.018% HD3 PRO 59 - HG3 LYS+ 63 3.846% * 0.0178% (0.01 0.02 0.02) = 0.018% HA VAL 65 - HG3 LYS+ 63 3.846% * 0.0143% (0.01 0.02 0.02) = 0.014% HA ARG+ 84 - HG3 LYS+ 63 3.846% * 0.0127% (0.01 0.02 0.02) = 0.013% Peak 2718 (4.27, 1.43, 25.01 ppm): 17 chemical-shift based assignments, quality = 0.301, support = 2.78, residual support = 18.0: O HA LYS+ 108 - HG3 LYS+ 108 5.882% * 85.1097% (0.29 10.0 3.20 21.13) = 85.110% kept HA THR 106 - HG3 LYS+ 108 5.882% * 3.2987% (0.24 1.0 0.93 0.26) = 3.299% kept HA ASN 89 - HG3 LYS+ 108 5.882% * 2.5304% (0.57 1.0 0.30 0.02) = 2.530% kept HD3 PRO 59 - HG3 LYS+ 108 5.882% * 2.5169% (0.56 1.0 0.31 0.02) = 2.517% kept HA VAL 73 - HG3 LYS+ 108 5.882% * 2.1385% (0.38 1.0 0.38 0.50) = 2.138% kept HA2 GLY 114 - HG3 LYS+ 108 5.882% * 1.8338% (0.47 1.0 0.27 0.12) = 1.834% kept HA PRO 59 - HG3 LYS+ 108 5.882% * 1.1929% (0.26 1.0 0.31 0.02) = 1.193% kept HA GLU- 75 - HG3 LYS+ 108 5.882% * 0.1861% (0.63 1.0 0.02 0.02) = 0.186% HA ARG+ 84 - HG3 LYS+ 108 5.882% * 0.1796% (0.61 1.0 0.02 0.02) = 0.180% HA VAL 65 - HG3 LYS+ 108 5.882% * 0.1752% (0.59 1.0 0.02 0.02) = 0.175% HA PRO 52 - HG3 LYS+ 108 5.882% * 0.1647% (0.56 1.0 0.02 0.02) = 0.165% HA SER 85 - HG3 LYS+ 108 5.882% * 0.1647% (0.56 1.0 0.02 0.02) = 0.165% HA GLU- 56 - HG3 LYS+ 108 5.882% * 0.1586% (0.53 1.0 0.02 0.02) = 0.159% HA ALA 91 - HG3 LYS+ 108 5.882% * 0.1586% (0.53 1.0 0.02 0.02) = 0.159% HA HIS+ 4 - HG3 LYS+ 108 5.882% * 0.1151% (0.39 1.0 0.02 0.02) = 0.115% HA LEU 90 - HG3 LYS+ 108 5.882% * 0.0473% (0.16 1.0 0.02 0.02) = 0.047% HA HIS+ 8 - HG3 LYS+ 108 5.882% * 0.0293% (0.10 1.0 0.02 0.02) = 0.029% 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): 18 chemical-shift based assignments, quality = 0.104, support = 1.95, residual support = 8.53: HA ASN 89 - QD1 LEU 90 5.556% * 62.2708% (0.12 1.00 2.61 12.86) = 62.271% kept HA ASN 89 - QD1 LEU 17 5.556% * 17.7503% (0.05 1.00 1.80 2.91) = 17.750% kept T HA VAL 80 - QD1 LEU 17 5.556% * 5.0433% (0.12 10.00 0.02 0.02) = 5.043% kept HA VAL 62 - QD1 LEU 90 5.556% * 4.7259% (0.21 1.00 0.11 0.02) = 4.726% kept T HA VAL 62 - QD1 LEU 17 5.556% * 3.6704% (0.09 10.00 0.02 0.02) = 3.670% kept HA VAL 80 - QD1 LEU 90 5.556% * 1.2179% (0.29 1.00 0.02 0.02) = 1.218% kept T HA ILE 48 - QD1 LEU 17 5.556% * 1.1608% (0.03 10.00 0.02 0.02) = 1.161% kept HA1 GLY 71 - QD1 LEU 90 5.556% * 0.8384% (0.20 1.00 0.02 0.02) = 0.838% HD3 PRO 31 - QD1 LEU 90 5.556% * 0.7896% (0.19 1.00 0.02 0.02) = 0.790% HB THR 79 - QD1 LEU 90 5.556% * 0.4581% (0.11 1.00 0.02 0.02) = 0.458% HB2 SER 69 - QD1 LEU 90 5.556% * 0.4163% (0.10 1.00 0.02 0.02) = 0.416% HA1 GLY 71 - QD1 LEU 17 5.556% * 0.3472% (0.08 1.00 0.02 0.02) = 0.347% HD3 PRO 31 - QD1 LEU 17 5.556% * 0.3270% (0.08 1.00 0.02 0.02) = 0.327% HA ILE 48 - QD1 LEU 90 5.556% * 0.2803% (0.07 1.00 0.02 0.02) = 0.280% HA THR 39 - QD1 LEU 90 5.556% * 0.2415% (0.06 1.00 0.02 0.22) = 0.242% HB THR 79 - QD1 LEU 17 5.556% * 0.1897% (0.05 1.00 0.02 0.02) = 0.190% HB2 SER 69 - QD1 LEU 17 5.556% * 0.1724% (0.04 1.00 0.02 0.02) = 0.172% HA THR 39 - QD1 LEU 17 5.556% * 0.1000% (0.02 1.00 0.02 0.02) = 0.100% Peak 2721 (2.96, 1.42, 25.07 ppm): 5 chemical-shift based assignments, quality = 0.401, support = 0.268, residual support = 0.0465: HA1 GLY 58 - HG3 LYS+ 108 20.000% * 55.0298% (0.50 0.28 0.02) = 55.030% kept HE2 LYS+ 117 - HG3 LYS+ 108 20.000% * 27.1854% (0.19 0.36 0.12) = 27.185% kept HB2 PHE 21 - HG3 LYS+ 108 20.000% * 15.0531% (0.46 0.08 0.02) = 15.053% kept HE3 LYS+ 113 - HG3 LYS+ 108 20.000% * 1.6875% (0.22 0.02 0.02) = 1.688% kept HB3 ASN 76 - HG3 LYS+ 108 20.000% * 1.0442% (0.13 0.02 0.02) = 1.044% kept Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 2722 (2.92, 1.34, 25.00 ppm): 8 chemical-shift based assignments, quality = 0.27, support = 0.929, residual support = 1.12: HE3 LYS+ 60 - HG3 LYS+ 20 12.500% * 36.5458% (0.34 1.07 0.85) = 36.546% kept HA1 GLY 58 - QB ALA 103 12.500% * 23.9498% (0.22 1.10 0.95) = 23.950% kept HG3 MET 97 - HG3 LYS+ 20 12.500% * 16.9032% (0.34 0.50 3.00) = 16.903% kept HA1 GLY 58 - HG3 LYS+ 20 12.500% * 13.8778% (0.22 0.63 0.12) = 13.878% kept HB2 HIS+ 98 - HG3 LYS+ 20 12.500% * 7.2718% (0.05 1.38 0.75) = 7.272% kept HG3 MET 97 - QB ALA 103 12.500% * 0.6737% (0.34 0.02 0.02) = 0.674% HE3 LYS+ 60 - QB ALA 103 12.500% * 0.6737% (0.34 0.02 0.02) = 0.674% HB2 HIS+ 98 - QB ALA 103 12.500% * 0.1042% (0.05 0.02 0.02) = 0.104% Peak 2723 (2.90, 1.29, 24.93 ppm): 8 chemical-shift based assignments, quality = 0.342, support = 0.778, residual support = 0.715: HA1 GLY 58 - HG2 LYS+ 32 12.500% * 47.5720% (0.45 0.64 0.66) = 47.572% kept HA1 GLY 58 - QB ALA 103 12.500% * 42.1816% (0.23 1.10 0.95) = 42.182% kept HE3 LYS+ 60 - HG2 LYS+ 32 12.500% * 5.7581% (0.30 0.12 0.02) = 5.758% kept HB2 HIS+ 98 - HG2 LYS+ 32 12.500% * 1.8162% (0.56 0.02 0.02) = 1.816% kept HB2 HIS+ 98 - QB ALA 103 12.500% * 0.9345% (0.29 0.02 0.02) = 0.935% HG3 MET 97 - HG2 LYS+ 32 12.500% * 0.8161% (0.25 0.02 0.12) = 0.816% HE3 LYS+ 60 - QB ALA 103 12.500% * 0.5016% (0.15 0.02 0.02) = 0.502% HG3 MET 97 - QB ALA 103 12.500% * 0.4199% (0.13 0.02 0.02) = 0.420% Peak 2727 (2.06, 3.43, 66.46 ppm): 14 chemical-shift based assignments, quality = 0.382, support = 2.64, residual support = 27.2: O HB VAL 62 - HA VAL 62 7.143% * 90.1290% (0.37 10.0 2.87 30.13) = 90.129% kept HB2 GLU- 45 - HA VAL 62 7.143% * 4.3689% (0.63 1.0 0.58 0.84) = 4.369% kept HB3 GLU- 10 - HA VAL 62 7.143% * 2.4212% (0.55 1.0 0.36 0.02) = 2.421% kept HB2 LEU 43 - HA VAL 62 7.143% * 2.2013% (0.16 1.0 1.15 0.21) = 2.201% kept HG3 ARG+ 53 - HA VAL 62 7.143% * 0.2074% (0.86 1.0 0.02 0.02) = 0.207% HB3 GLU- 75 - HA VAL 62 7.143% * 0.1859% (0.77 1.0 0.02 0.02) = 0.186% HB3 LYS+ 120 - HA VAL 62 7.143% * 0.1418% (0.59 1.0 0.02 0.02) = 0.142% HG3 PRO 86 - HA VAL 62 7.143% * 0.0901% (0.37 1.0 0.02 0.02) = 0.090% HD3 LYS+ 110 - HA VAL 62 7.143% * 0.0610% (0.25 1.0 0.02 0.02) = 0.061% HB3 LYS+ 110 - HA VAL 62 7.143% * 0.0488% (0.20 1.0 0.02 0.02) = 0.049% HB2 LYS+ 110 - HA VAL 62 7.143% * 0.0488% (0.20 1.0 0.02 0.02) = 0.049% HB VAL 125 - HA VAL 62 7.143% * 0.0338% (0.14 1.0 0.02 0.02) = 0.034% HA1 GLY 58 - HA VAL 62 7.143% * 0.0321% (0.13 1.0 0.02 0.66) = 0.032% HB3 GLU- 107 - HA VAL 62 7.143% * 0.0297% (0.12 1.0 0.02 0.02) = 0.030% Peak 2739 (1.67, 1.43, 24.98 ppm): 7 chemical-shift based assignments, quality = 0.282, support = 0.0424, residual support = 0.02: T HB2 HIS+ 8 - HG3 LYS+ 108 14.286% * 44.5860% (0.26 10.00 0.02 0.02) = 44.586% kept HG3 ARG+ 84 - HG3 LYS+ 108 14.286% * 20.8373% (0.26 1.00 0.09 0.02) = 20.837% kept HB3 ARG+ 22 - HG3 LYS+ 108 14.286% * 9.7876% (0.12 1.00 0.09 0.02) = 9.788% kept HB3 MET 126 - HG3 LYS+ 108 14.286% * 8.0165% (0.47 1.00 0.02 0.02) = 8.016% kept HB VAL 99 - HG3 LYS+ 108 14.286% * 7.0785% (0.41 1.00 0.02 0.02) = 7.078% kept HD3 LYS+ 55 - HG3 LYS+ 108 14.286% * 7.0785% (0.41 1.00 0.02 0.02) = 7.078% kept HB3 MET 97 - HG3 LYS+ 108 14.286% * 2.6156% (0.15 1.00 0.02 0.02) = 2.616% kept Not enough support, support cutoff is 0.22 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 = 0.122, support = 0.251, residual support = 0.0374: HG LEU 74 - HG3 LYS+ 108 12.500% * 59.5710% (0.15 0.34 0.02) = 59.571% kept HG3 PRO 59 - HG3 LYS+ 108 12.500% * 14.6582% (0.13 0.10 0.02) = 14.658% kept HB2 LEU 74 - HG3 LYS+ 108 12.500% * 13.5772% (0.06 0.19 0.02) = 13.577% kept QG2 THR 106 - HG3 LYS+ 108 12.500% * 7.2850% (0.08 0.08 0.26) = 7.285% kept HB3 LYS+ 66 - HG3 LYS+ 108 12.500% * 1.3121% (0.06 0.02 0.02) = 1.312% kept HG3 LYS+ 32 - HG3 LYS+ 108 12.500% * 1.3121% (0.06 0.02 0.02) = 1.312% kept QB ALA 33 - HG3 LYS+ 108 12.500% * 1.3121% (0.06 0.02 0.02) = 1.312% kept HD3 LYS+ 111 - HG3 LYS+ 108 12.500% * 0.9721% (0.04 0.02 0.02) = 0.972% Not enough quality. Peak unassigned. Peak 2783 (1.04, 1.03, 24.97 ppm): 2 chemical-shift based assignments, quality = 0.0623, support = 3.77, residual support = 15.1: HG LEU 74 - HG2 LYS+ 20 50.000% * 93.8130% (0.06 3.98 16.13) = 93.813% kept HG13 ILE 100 - HG2 LYS+ 20 50.000% * 6.1870% (0.03 0.59 0.11) = 6.187% 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 = 3.38, residual support = 10.3: T QD1 ILE 48 - HA VAL 62 50.000% * 92.8810% (0.43 10.00 3.52 10.27) = 92.881% kept HG12 ILE 48 - HA VAL 62 50.000% * 7.1190% (0.43 1.00 1.53 10.27) = 7.119% 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): 5 chemical-shift based assignments, quality = 0.154, support = 2.65, residual support = 33.5: O HA LYS+ 72 - HG3 LYS+ 72 20.000% * 99.4876% (0.15 10.0 2.66 33.70) = 99.488% kept HA ASP- 25 - HG3 LYS+ 72 20.000% * 0.1742% (0.27 1.0 0.02 0.02) = 0.174% HA LEU 9 - HG3 LYS+ 72 20.000% * 0.1742% (0.27 1.0 0.02 0.02) = 0.174% HA ASN 89 - HG3 LYS+ 72 20.000% * 0.0853% (0.13 1.0 0.02 0.02) = 0.085% HA HIS+ 6 - HG3 LYS+ 72 20.000% * 0.0788% (0.12 1.0 0.02 0.02) = 0.079% 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): 14 chemical-shift based assignments, quality = 0.512, support = 3.4, residual support = 36.1: O HA LYS+ 32 - HG3 LYS+ 32 7.143% * 95.9032% (0.52 10.0 3.53 37.58) = 95.903% kept HA ASN 89 - HG3 LYS+ 32 7.143% * 2.9509% (0.45 1.0 0.71 0.95) = 2.951% kept HA CYS 123 - HG3 LYS+ 32 7.143% * 0.4528% (0.43 1.0 0.11 0.02) = 0.453% HA ASN 76 - HG3 LYS+ 32 7.143% * 0.1058% (0.57 1.0 0.02 0.02) = 0.106% HA ALA 103 - HG3 LYS+ 32 7.143% * 0.1009% (0.55 1.0 0.02 0.02) = 0.101% HA PRO 86 - HG3 LYS+ 32 7.143% * 0.0854% (0.46 1.0 0.02 0.02) = 0.085% HA ILE 100 - HG3 LYS+ 32 7.143% * 0.0748% (0.41 1.0 0.02 0.02) = 0.075% HA VAL 73 - HG3 LYS+ 32 7.143% * 0.0718% (0.39 1.0 0.02 0.02) = 0.072% HA ILE 101 - HG3 LYS+ 32 7.143% * 0.0695% (0.38 1.0 0.02 0.02) = 0.069% HA SER 77 - HG3 LYS+ 32 7.143% * 0.0643% (0.35 1.0 0.02 0.02) = 0.064% HA GLU- 50 - HG3 LYS+ 32 7.143% * 0.0451% (0.24 1.0 0.02 0.02) = 0.045% HA VAL 99 - HG3 LYS+ 32 7.143% * 0.0294% (0.16 1.0 0.02 0.36) = 0.029% HB THR 46 - HG3 LYS+ 32 7.143% * 0.0231% (0.13 1.0 0.02 0.02) = 0.023% HA LYS+ 55 - HG3 LYS+ 32 7.143% * 0.0231% (0.13 1.0 0.02 2.36) = 0.023% Peak 2829 (3.13, 1.50, 24.80 ppm): 16 chemical-shift based assignments, quality = 0.482, support = 1.45, residual support = 32.1: O T HE3 LYS+ 72 - HG3 LYS+ 72 6.250% * 95.0835% (0.50 10.0 10.00 1.50 33.70) = 95.083% kept HB3 HIS+ 98 - HG LEU 9 6.250% * 1.7034% (0.16 1.0 1.00 1.13 2.16) = 1.703% kept T HE3 LYS+ 81 - HG3 LYS+ 72 6.250% * 0.9572% (0.51 1.0 10.00 0.02 0.02) = 0.957% T HE3 LYS+ 117 - HG3 LYS+ 72 6.250% * 0.9403% (0.50 1.0 10.00 0.02 0.02) = 0.940% T HE3 LYS+ 108 - HG3 LYS+ 72 6.250% * 0.9403% (0.50 1.0 10.00 0.02 0.02) = 0.940% HB3 HIS+ 98 - HG3 LYS+ 72 6.250% * 0.0582% (0.31 1.0 1.00 0.02 0.02) = 0.058% HE3 LYS+ 81 - HG LEU 9 6.250% * 0.0495% (0.26 1.0 1.00 0.02 0.02) = 0.050% HE3 LYS+ 72 - HG LEU 9 6.250% * 0.0492% (0.26 1.0 1.00 0.02 0.02) = 0.049% HE3 LYS+ 108 - HG LEU 9 6.250% * 0.0487% (0.26 1.0 1.00 0.02 0.02) = 0.049% HE3 LYS+ 117 - HG LEU 9 6.250% * 0.0487% (0.26 1.0 1.00 0.02 0.02) = 0.049% HD2 ARG+ 53 - HG3 LYS+ 72 6.250% * 0.0327% (0.17 1.0 1.00 0.02 0.02) = 0.033% HA1 GLY 58 - HG3 LYS+ 72 6.250% * 0.0257% (0.14 1.0 1.00 0.02 0.02) = 0.026% HD3 PRO 35 - HG3 LYS+ 72 6.250% * 0.0214% (0.11 1.0 1.00 0.02 0.02) = 0.021% HD2 ARG+ 53 - HG LEU 9 6.250% * 0.0169% (0.09 1.0 1.00 0.02 0.02) = 0.017% HA1 GLY 58 - HG LEU 9 6.250% * 0.0133% (0.07 1.0 1.00 0.02 0.48) = 0.013% HD3 PRO 35 - HG LEU 9 6.250% * 0.0111% (0.06 1.0 1.00 0.02 0.02) = 0.011% Peak 2830 (2.81, 1.12, 24.83 ppm): 9 chemical-shift based assignments, quality = 0.636, support = 2.63, residual support = 35.1: O HE3 LYS+ 32 - HG3 LYS+ 32 11.111% * 93.3231% (0.64 10.0 2.75 37.58) = 93.323% kept HA1 GLY 58 - HG3 LYS+ 32 11.111% * 5.1861% (0.58 1.0 1.22 0.66) = 5.186% kept HA2 GLY 58 - HG3 LYS+ 32 11.111% * 1.2358% (0.59 1.0 0.29 0.66) = 1.236% kept HE3 LYS+ 111 - HG3 LYS+ 32 11.111% * 0.0987% (0.68 1.0 0.02 0.02) = 0.099% HB3 ASN 119 - HG3 LYS+ 32 11.111% * 0.0559% (0.38 1.0 0.02 0.02) = 0.056% HB3 ASN 89 - HG3 LYS+ 32 11.111% * 0.0370% (0.25 1.0 0.02 0.95) = 0.037% HB3 ASN 57 - HG3 LYS+ 32 11.111% * 0.0220% (0.15 1.0 0.02 0.02) = 0.022% HB2 ASN 119 - HG3 LYS+ 32 11.111% * 0.0220% (0.15 1.0 0.02 0.02) = 0.022% HB3 HIS+ 3 - HG3 LYS+ 32 11.111% * 0.0195% (0.13 1.0 0.02 0.02) = 0.020% Peak 2834 (1.57, 1.28, 24.86 ppm): 20 chemical-shift based assignments, quality = 0.341, support = 3.52, residual support = 36.8: O T HB3 LYS+ 32 - HG2 LYS+ 32 5.000% * 75.0765% (0.41 10.0 10.00 3.55 37.58) = 75.077% kept O HD3 LYS+ 32 - HG2 LYS+ 32 5.000% * 22.9671% (0.12 10.0 1.00 3.70 37.58) = 22.967% kept HD3 LYS+ 60 - HG2 LYS+ 32 5.000% * 1.1126% (0.56 1.0 1.00 0.21 0.02) = 1.113% kept HG3 LYS+ 60 - HG2 LYS+ 32 5.000% * 0.1138% (0.62 1.0 1.00 0.02 0.02) = 0.114% HB ILE 19 - HG2 LYS+ 32 5.000% * 0.1120% (0.61 1.0 1.00 0.02 0.02) = 0.112% HG LEU 17 - HG2 LYS+ 32 5.000% * 0.1098% (0.60 1.0 1.00 0.02 0.10) = 0.110% HB3 LEU 9 - HG2 LYS+ 32 5.000% * 0.0565% (0.31 1.0 1.00 0.02 0.02) = 0.056% HB3 LEU 90 - HG2 LYS+ 32 5.000% * 0.0565% (0.31 1.0 1.00 0.02 0.02) = 0.056% HG3 LYS+ 60 - QB ALA 103 5.000% * 0.0500% (0.27 1.0 1.00 0.02 0.02) = 0.050% HB ILE 19 - QB ALA 103 5.000% * 0.0492% (0.27 1.0 1.00 0.02 0.02) = 0.049% HG LEU 17 - QB ALA 103 5.000% * 0.0483% (0.26 1.0 1.00 0.02 0.02) = 0.048% HD3 LYS+ 60 - QB ALA 103 5.000% * 0.0458% (0.25 1.0 1.00 0.02 0.02) = 0.046% HG13 ILE 29 - HG2 LYS+ 32 5.000% * 0.0436% (0.24 1.0 1.00 0.02 0.02) = 0.044% HB3 LYS+ 32 - QB ALA 103 5.000% * 0.0330% (0.18 1.0 1.00 0.02 0.02) = 0.033% QG2 THR 24 - HG2 LYS+ 32 5.000% * 0.0323% (0.18 1.0 1.00 0.02 0.02) = 0.032% HB3 LEU 9 - QB ALA 103 5.000% * 0.0248% (0.13 1.0 1.00 0.02 0.02) = 0.025% HB3 LEU 90 - QB ALA 103 5.000% * 0.0248% (0.13 1.0 1.00 0.02 0.02) = 0.025% HG13 ILE 29 - QB ALA 103 5.000% * 0.0191% (0.10 1.0 1.00 0.02 0.02) = 0.019% QG2 THR 24 - QB ALA 103 5.000% * 0.0142% (0.08 1.0 1.00 0.02 0.02) = 0.014% HD3 LYS+ 32 - QB ALA 103 5.000% * 0.0101% (0.05 1.0 1.00 0.02 0.02) = 0.010% Peak 2839 (1.27, 1.13, 24.80 ppm): 5 chemical-shift based assignments, quality = 0.618, support = 4.43, residual support = 37.2: O HG2 LYS+ 32 - HG3 LYS+ 32 20.000% * 99.0714% (0.62 10.0 1.00 4.47 37.58) = 99.071% kept T HG LEU 74 - HG3 LYS+ 32 20.000% * 0.7973% (0.50 1.0 10.00 0.02 0.11) = 0.797% HB3 LEU 74 - HG3 LYS+ 32 20.000% * 0.0734% (0.46 1.0 1.00 0.02 0.11) = 0.073% HB2 LYS+ 55 - HG3 LYS+ 32 20.000% * 0.0379% (0.24 1.0 1.00 0.02 2.36) = 0.038% QG2 THR 46 - HG3 LYS+ 32 20.000% * 0.0200% (0.13 1.0 1.00 0.02 0.02) = 0.020% 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 = 0.149, support = 2.01, residual support = 4.35: QB ALA 70 - HB2 SER 69 10.000% * 38.4443% (0.23 1.43 2.70) = 38.444% kept HB3 LEU 67 - HA ILE 48 10.000% * 34.4188% (0.12 2.51 6.79) = 34.419% kept HG LEU 74 - HA ILE 48 10.000% * 15.3337% (0.04 3.56 5.70) = 15.334% kept HG LEU 74 - HB2 SER 69 10.000% * 5.4147% (0.06 0.76 1.80) = 5.415% kept QB ALA 70 - HA ILE 48 10.000% * 3.2116% (0.14 0.20 0.02) = 3.212% kept HB3 LEU 67 - HB2 SER 69 10.000% * 2.7907% (0.20 0.12 0.02) = 2.791% kept HD3 LYS+ 108 - HB2 SER 69 10.000% * 0.1414% (0.06 0.02 0.02) = 0.141% HB2 LYS+ 72 - HB2 SER 69 10.000% * 0.0993% (0.04 0.02 0.87) = 0.099% HD3 LYS+ 108 - HA ILE 48 10.000% * 0.0855% (0.04 0.02 0.02) = 0.085% HB2 LYS+ 72 - HA ILE 48 10.000% * 0.0600% (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): 11 chemical-shift based assignments, quality = 0.139, support = 5.85, residual support = 105.8: O QG2 ILE 48 - HA ILE 48 9.091% * 95.2531% (0.15 10.0 6.02 110.84) = 95.253% kept HG LEU 74 - HA ILE 48 9.091% * 3.0190% (0.03 1.0 3.56 5.70) = 3.019% kept QD1 ILE 68 - HA ILE 48 9.091% * 0.8710% (0.13 1.0 0.20 0.02) = 0.871% QG2 ILE 101 - HA ILE 48 9.091% * 0.4036% (0.13 1.0 0.10 0.02) = 0.404% QG2 VAL 40 - HA ILE 48 9.091% * 0.1060% (0.16 1.0 0.02 0.02) = 0.106% QD2 LEU 9 - HA ILE 48 9.091% * 0.0879% (0.13 1.0 0.02 0.02) = 0.088% QD1 LEU 9 - HA ILE 48 9.091% * 0.0666% (0.10 1.0 0.02 0.02) = 0.067% HG2 PRO 59 - HA ILE 48 9.091% * 0.0492% (0.08 1.0 0.02 0.02) = 0.049% HB2 LEU 9 - HA ILE 48 9.091% * 0.0492% (0.08 1.0 0.02 0.02) = 0.049% HG3 LYS+ 66 - HA ILE 48 9.091% * 0.0492% (0.08 1.0 0.02 0.02) = 0.049% HG LEU 67 - HA ILE 48 9.091% * 0.0451% (0.07 1.0 0.02 6.79) = 0.045% 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): 3 chemical-shift based assignments, quality = 0.0761, support = 0.803, residual support = 0.712: HA ASN 89 - HB3 SER 69 33.333% * 53.3123% (0.08 0.97 0.65) = 53.312% kept HA ILE 48 - HB3 SER 69 33.333% * 39.4157% (0.09 0.63 0.91) = 39.416% kept HD2 PRO 31 - HB3 SER 69 33.333% * 7.2720% (0.02 0.50 0.11) = 7.272% 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 = 2.31, residual support = 8.51: HN ILE 29 - QD2 LEU 23 100.000% *100.0000% (0.29 2.31 8.51) = 100.000% kept Peak 2866 (4.79, 0.29, 23.83 ppm): 7 chemical-shift based assignments, quality = 0.619, support = 2.31, residual support = 2.56: HA ASP- 115 - QD2 LEU 23 14.286% * 29.4683% (0.51 3.27 4.76) = 29.468% kept HA ASN 15 - QD2 LEU 23 14.286% * 25.6666% (0.62 2.35 2.43) = 25.667% kept HA PRO 116 - QD2 LEU 23 14.286% * 25.2227% (0.66 2.18 1.64) = 25.223% kept HA LYS+ 113 - QD2 LEU 23 14.286% * 16.7148% (0.83 1.14 0.68) = 16.715% kept HA ASN 89 - QD2 LEU 23 14.286% * 1.3093% (0.22 0.33 0.27) = 1.309% kept HA MET 97 - QD2 LEU 23 14.286% * 1.0521% (0.14 0.43 0.12) = 1.052% kept HA GLU- 107 - QD2 LEU 23 14.286% * 0.5662% (0.41 0.08 0.02) = 0.566% Peak 2867 (4.78, 0.84, 23.68 ppm): 6 chemical-shift based assignments, quality = 0.3, support = 0.797, residual support = 3.9: HA PRO 116 - QD2 LEU 90 16.667% * 38.9290% (0.40 0.53 0.18) = 38.929% kept HA ASN 89 - QD2 LEU 90 16.667% * 29.7149% (0.10 1.58 12.86) = 29.715% kept HA LYS+ 113 - QD2 LEU 90 16.667% * 28.2652% (0.37 0.42 0.02) = 28.265% kept HA ASN 15 - QD2 LEU 90 16.667% * 1.4567% (0.40 0.02 0.02) = 1.457% kept HA ASP- 115 - QD2 LEU 90 16.667% * 1.4090% (0.38 0.02 0.02) = 1.409% kept HA VAL 40 - QD2 LEU 90 16.667% * 0.2253% (0.06 0.02 0.02) = 0.225% 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): 14 chemical-shift based assignments, quality = 0.765, support = 3.13, residual support = 26.4: O T HB2 LEU 23 - QD2 LEU 23 7.143% * 57.9944% (0.86 10.0 10.00 4.11 39.67) = 57.994% kept T HB ILE 29 - QD2 LEU 23 7.143% * 40.0046% (0.64 1.0 10.00 1.85 8.51) = 40.005% kept HB3 GLN 102 - QD2 LEU 23 7.143% * 1.4199% (0.86 1.0 1.00 0.49 0.46) = 1.420% kept HD3 LYS+ 63 - QD2 LEU 23 7.143% * 0.2401% (0.93 1.0 1.00 0.08 0.02) = 0.240% HB3 GLU- 56 - QD2 LEU 23 7.143% * 0.0594% (0.88 1.0 1.00 0.02 0.02) = 0.059% HB3 GLU- 54 - QD2 LEU 23 7.143% * 0.0563% (0.83 1.0 1.00 0.02 0.02) = 0.056% HB3 PRO 35 - QD2 LEU 23 7.143% * 0.0525% (0.78 1.0 1.00 0.02 0.02) = 0.052% HB3 MET 118 - QD2 LEU 23 7.143% * 0.0480% (0.71 1.0 1.00 0.02 0.02) = 0.048% HB3 CYS 123 - QD2 LEU 23 7.143% * 0.0331% (0.49 1.0 1.00 0.02 0.02) = 0.033% HB2 PRO 116 - QD2 LEU 23 7.143% * 0.0258% (0.38 1.0 1.00 0.02 1.64) = 0.026% HG2 PRO 112 - QD2 LEU 23 7.143% * 0.0214% (0.32 1.0 1.00 0.02 0.02) = 0.021% HG2 GLU- 18 - QD2 LEU 23 7.143% * 0.0194% (0.29 1.0 1.00 0.02 0.02) = 0.019% HB3 GLN 16 - QD2 LEU 23 7.143% * 0.0140% (0.21 1.0 1.00 0.02 1.98) = 0.014% HB2 GLU- 75 - QD2 LEU 23 7.143% * 0.0110% (0.16 1.0 1.00 0.02 0.02) = 0.011% Peak 2874 (1.63, 0.29, 23.82 ppm): 11 chemical-shift based assignments, quality = 0.761, support = 2.62, residual support = 26.9: O HG LEU 23 - QD2 LEU 23 9.091% * 66.8654% (0.84 10.0 1.00 3.51 39.67) = 66.865% kept T HG12 ILE 101 - QD2 LEU 23 9.091% * 15.4501% (0.78 1.0 10.00 0.50 0.55) = 15.450% kept T HG3 ARG+ 84 - QD2 LEU 23 9.091% * 9.3234% (0.32 1.0 10.00 0.73 0.51) = 9.323% kept HB3 ARG+ 22 - QD2 LEU 23 9.091% * 5.0443% (0.60 1.0 1.00 2.09 3.79) = 5.044% kept HB ILE 100 - QD2 LEU 23 9.091% * 1.7193% (0.78 1.0 1.00 0.55 0.42) = 1.719% kept HB3 MET 97 - QD2 LEU 23 9.091% * 1.4392% (0.53 1.0 1.00 0.68 0.12) = 1.439% kept HB2 LEU 67 - QD2 LEU 23 9.091% * 0.0623% (0.78 1.0 1.00 0.02 0.02) = 0.062% HG3 LYS+ 78 - QD2 LEU 23 9.091% * 0.0392% (0.49 1.0 1.00 0.02 0.02) = 0.039% HB2 HIS+ 8 - QD2 LEU 23 9.091% * 0.0254% (0.32 1.0 1.00 0.02 0.02) = 0.025% HG2 LYS+ 110 - QD2 LEU 23 9.091% * 0.0166% (0.21 1.0 1.00 0.02 0.02) = 0.017% HG3 LYS+ 110 - QD2 LEU 23 9.091% * 0.0148% (0.18 1.0 1.00 0.02 0.02) = 0.015% 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): 22 chemical-shift based assignments, quality = 0.197, support = 1.46, residual support = 8.57: HA ASN 89 - QD2 LEU 90 4.545% * 43.5723% (0.23 1.58 12.86) = 43.572% kept HA LEU 90 - QD2 LEU 90 4.545% * 41.4800% (0.21 1.69 5.79) = 41.480% kept HA ALA 91 - QD2 LEU 90 4.545% * 6.0830% (0.05 0.96 9.23) = 6.083% kept HA PRO 112 - QD2 LEU 90 4.545% * 5.4755% (0.15 0.30 0.02) = 5.475% kept HA PRO 104 - QD2 LEU 90 4.545% * 0.6418% (0.27 0.02 0.02) = 0.642% HA ILE 29 - QD2 LEU 90 4.545% * 0.5373% (0.22 0.02 0.02) = 0.537% HA VAL 73 - QD2 LEU 90 4.545% * 0.5184% (0.22 0.02 0.02) = 0.518% HA THR 106 - QD2 LEU 90 4.545% * 0.3901% (0.16 0.02 0.02) = 0.390% HA PRO 104 - QG1 VAL 122 4.545% * 0.1562% (0.07 0.02 0.02) = 0.156% HA ASN 89 - QG1 VAL 122 4.545% * 0.1341% (0.06 0.02 0.02) = 0.134% HA ILE 29 - QG1 VAL 122 4.545% * 0.1308% (0.05 0.02 0.02) = 0.131% HA VAL 73 - QG1 VAL 122 4.545% * 0.1262% (0.05 0.02 0.02) = 0.126% HA LEU 90 - QG1 VAL 122 4.545% * 0.1196% (0.05 0.02 0.02) = 0.120% HD3 PRO 59 - QD2 LEU 90 4.545% * 0.1126% (0.05 0.02 0.02) = 0.113% HA PRO 52 - QD2 LEU 90 4.545% * 0.1126% (0.05 0.02 0.02) = 0.113% HA SER 85 - QD2 LEU 90 4.545% * 0.1126% (0.05 0.02 0.02) = 0.113% HA THR 106 - QG1 VAL 122 4.545% * 0.0950% (0.04 0.02 0.02) = 0.095% HA PRO 112 - QG1 VAL 122 4.545% * 0.0886% (0.04 0.02 0.02) = 0.089% HA ALA 91 - QG1 VAL 122 4.545% * 0.0310% (0.01 0.02 0.02) = 0.031% HA SER 85 - QG1 VAL 122 4.545% * 0.0274% (0.01 0.02 0.02) = 0.027% HD3 PRO 59 - QG1 VAL 122 4.545% * 0.0274% (0.01 0.02 0.02) = 0.027% HA PRO 52 - QG1 VAL 122 4.545% * 0.0274% (0.01 0.02 0.02) = 0.027% 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 = 3.35, residual support = 8.48: HN THR 24 - QG2 THR 24 100.000% *100.0000% (0.78 3.35 8.48) = 100.000% kept Peak 2964 (9.26, 1.00, 23.14 ppm): 2 chemical-shift based assignments, quality = 0.469, support = 2.84, residual support = 6.69: HN ILE 100 - QG1 VAL 99 50.000% * 85.9827% (0.50 3.14 7.71) = 85.983% kept HN LEU 23 - QG1 VAL 99 50.000% * 14.0173% (0.27 0.97 0.46) = 14.017% 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): 8 chemical-shift based assignments, quality = 0.119, support = 0.02, residual support = 0.126: HN ALA 91 - HB2 SER 85 12.500% * 20.4932% (0.17 0.02 0.02) = 20.493% kept HN LEU 9 - HB2 SER 85 12.500% * 18.7502% (0.15 0.02 0.02) = 18.750% kept HN VAL 99 - HB2 SER 85 12.500% * 15.9778% (0.13 0.02 0.02) = 15.978% kept HN ASP- 28 - HB2 SER 85 12.500% * 12.6808% (0.10 0.02 0.02) = 12.681% kept HN HIS+ 8 - HB2 SER 85 12.500% * 11.8367% (0.10 0.02 0.02) = 11.837% kept HN ASN 76 - HB2 SER 85 12.500% * 8.5952% (0.07 0.02 0.02) = 8.595% kept HN GLY 114 - HB2 SER 85 12.500% * 6.4529% (0.05 0.02 0.02) = 6.453% kept HN ASN 89 - HB2 SER 85 12.500% * 5.2132% (0.04 0.02 2.04) = 5.213% kept Not enough support, support cutoff is 0.22 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): 7 chemical-shift based assignments, quality = 0.286, support = 1.31, residual support = 0.61: HA PRO 116 - QG2 THR 24 14.286% * 34.1671% (0.28 1.95 0.74) = 34.167% kept HA LYS+ 113 - QG2 THR 24 14.286% * 22.1638% (0.47 0.74 0.43) = 22.164% kept HA ASP- 115 - QG2 THR 24 14.286% * 17.3716% (0.18 1.55 0.58) = 17.372% kept HA ASN 15 - QG2 THR 24 14.286% * 13.1352% (0.25 0.83 0.49) = 13.135% kept HA ASN 89 - QG2 THR 24 14.286% * 11.6266% (0.21 0.87 0.84) = 11.627% kept HA GLU- 107 - QG2 THR 24 14.286% * 0.9837% (0.78 0.02 0.02) = 0.984% HA MET 97 - QG2 THR 24 14.286% * 0.5520% (0.43 0.02 0.02) = 0.552% Peak 2973 (4.72, 1.01, 23.11 ppm): 7 chemical-shift based assignments, quality = 0.871, support = 0.723, residual support = 0.253: HA PRO 31 - QG1 VAL 99 14.286% * 81.5172% (0.99 0.81 0.31) = 81.517% kept HA ASN 89 - QG1 VAL 99 14.286% * 14.1960% (0.31 0.44 0.02) = 14.196% kept HA2 GLY 30 - QG1 VAL 99 14.286% * 1.6283% (0.80 0.02 0.02) = 1.628% kept HA HIS+ 7 - QG1 VAL 99 14.286% * 1.3968% (0.68 0.02 0.02) = 1.397% kept HA MET 118 - QG1 VAL 99 14.286% * 0.4527% (0.22 0.02 0.02) = 0.453% HA HIS+ 5 - QG1 VAL 99 14.286% * 0.4527% (0.22 0.02 0.02) = 0.453% HA VAL 40 - QG1 VAL 99 14.286% * 0.3561% (0.17 0.02 0.02) = 0.356% 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): 14 chemical-shift based assignments, quality = 0.762, support = 1.2, residual support = 7.98: O HB THR 24 - QG2 THR 24 7.143% * 93.6055% (0.78 10.0 1.23 8.48) = 93.605% kept HA ASN 89 - QG2 THR 24 7.143% * 5.3868% (0.63 1.0 0.87 0.84) = 5.387% kept HA LYS+ 111 - QG2 THR 24 7.143% * 0.1457% (0.75 1.0 0.02 0.02) = 0.146% HA VAL 99 - QG2 THR 24 7.143% * 0.1457% (0.75 1.0 0.02 0.02) = 0.146% HA VAL 73 - QG2 THR 24 7.143% * 0.1378% (0.71 1.0 0.02 0.02) = 0.138% HA GLU- 50 - QG2 THR 24 7.143% * 0.1177% (0.60 1.0 0.02 0.18) = 0.118% HA ILE 101 - QG2 THR 24 7.143% * 0.0816% (0.42 1.0 0.02 0.02) = 0.082% HA ILE 100 - QG2 THR 24 7.143% * 0.0748% (0.38 1.0 0.02 0.02) = 0.075% HA CYS 121 - QG2 THR 24 7.143% * 0.0621% (0.32 1.0 0.02 0.02) = 0.062% HA PRO 86 - QG2 THR 24 7.143% * 0.0621% (0.32 1.0 0.02 0.02) = 0.062% HA LYS+ 66 - QG2 THR 24 7.143% * 0.0562% (0.29 1.0 0.02 0.02) = 0.056% HA LYS+ 32 - QG2 THR 24 7.143% * 0.0506% (0.26 1.0 0.02 0.02) = 0.051% HA ALA 103 - QG2 THR 24 7.143% * 0.0454% (0.23 1.0 0.02 0.02) = 0.045% HA HIS+ 14 - QG2 THR 24 7.143% * 0.0281% (0.14 1.0 0.02 0.02) = 0.028% Peak 2976 (4.38, 3.85, 64.58 ppm): 14 chemical-shift based assignments, quality = 0.22, support = 1.17, residual support = 1.74: HA ASN 89 - HB2 SER 85 7.143% * 84.9866% (0.22 1.37 2.04) = 84.987% kept HA ASN 57 - HB2 SER 85 7.143% * 1.6134% (0.29 0.02 0.02) = 1.613% kept HA ALA 37 - HB2 SER 85 7.143% * 1.6098% (0.29 0.02 0.02) = 1.610% kept HA VAL 73 - HB2 SER 85 7.143% * 1.6054% (0.29 0.02 0.02) = 1.605% kept HA LYS+ 60 - HB2 SER 85 7.143% * 1.5814% (0.28 0.02 0.02) = 1.581% kept HA THR 38 - HB2 SER 85 7.143% * 1.4894% (0.27 0.02 0.02) = 1.489% kept HA TRP 51 - HB2 SER 85 7.143% * 1.4894% (0.27 0.02 0.02) = 1.489% kept HB3 HIS+ 4 - HB2 SER 85 7.143% * 1.2330% (0.22 0.02 0.02) = 1.233% kept HA2 GLY 26 - HB2 SER 85 7.143% * 1.0437% (0.19 0.02 0.02) = 1.044% kept HA SER 88 - HB2 SER 85 7.143% * 0.9786% (0.18 0.02 0.02) = 0.979% HA LYS+ 117 - HB2 SER 85 7.143% * 0.8488% (0.15 0.02 0.02) = 0.849% HA MET 1 - HB2 SER 85 7.143% * 0.6633% (0.12 0.02 0.02) = 0.663% HA1 GLY 26 - HB2 SER 85 7.143% * 0.4980% (0.09 0.02 0.02) = 0.498% HA HIS+ 3 - HB2 SER 85 7.143% * 0.3592% (0.06 0.02 0.02) = 0.359% Peak 2977 (4.37, 3.72, 64.56 ppm): 14 chemical-shift based assignments, quality = 0.0595, support = 1.71, residual support = 4.22: HA ASN 89 - HB3 SER 27 7.143% * 38.7006% (0.07 1.90 3.12) = 38.701% kept HA2 GLY 26 - HB3 SER 27 7.143% * 36.4261% (0.07 1.73 5.31) = 36.426% kept HA1 GLY 26 - HB3 SER 27 7.143% * 20.3027% (0.04 1.72 5.31) = 20.303% kept HA VAL 73 - HB3 SER 27 7.143% * 0.5261% (0.09 0.02 0.02) = 0.526% HA LYS+ 60 - HB3 SER 27 7.143% * 0.5259% (0.09 0.02 0.02) = 0.526% HA THR 38 - HB3 SER 27 7.143% * 0.5224% (0.09 0.02 0.02) = 0.522% HA ALA 37 - HB3 SER 27 7.143% * 0.5166% (0.09 0.02 0.02) = 0.517% HA ASN 57 - HB3 SER 27 7.143% * 0.5086% (0.08 0.02 0.02) = 0.509% HB3 HIS+ 4 - HB3 SER 27 7.143% * 0.4727% (0.08 0.02 0.02) = 0.473% HA TRP 51 - HB3 SER 27 7.143% * 0.4220% (0.07 0.02 0.02) = 0.422% HA LYS+ 117 - HB3 SER 27 7.143% * 0.3620% (0.06 0.02 0.02) = 0.362% HA MET 1 - HB3 SER 27 7.143% * 0.2984% (0.05 0.02 0.02) = 0.298% HA SER 88 - HB3 SER 27 7.143% * 0.2363% (0.04 0.02 0.02) = 0.236% HA HIS+ 3 - HB3 SER 27 7.143% * 0.1798% (0.03 0.02 0.02) = 0.180% 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): 8 chemical-shift based assignments, quality = 0.853, support = 0.644, residual support = 0.451: HA ASN 89 - QG2 THR 24 12.500% * 52.6481% (0.94 0.87 0.84) = 52.648% kept HA ALA 70 - QG2 THR 24 12.500% * 23.5399% (0.94 0.39 0.02) = 23.540% kept HA LYS+ 44 - QG2 THR 24 12.500% * 19.8976% (0.66 0.47 0.02) = 19.898% kept HB THR 106 - QG2 THR 24 12.500% * 1.4868% (0.29 0.08 0.02) = 1.487% kept HA VAL 105 - QG2 THR 24 12.500% * 0.9730% (0.76 0.02 0.02) = 0.973% HA THR 46 - QG2 THR 24 12.500% * 0.6393% (0.50 0.02 0.02) = 0.639% HA LYS+ 63 - QG2 THR 24 12.500% * 0.5448% (0.42 0.02 0.02) = 0.545% HA ARG+ 53 - QG2 THR 24 12.500% * 0.2705% (0.21 0.02 0.02) = 0.271% Peak 2982 (4.02, 3.86, 64.56 ppm): 7 chemical-shift based assignments, quality = 0.236, support = 1.04, residual support = 4.35: O HB3 SER 85 - HB2 SER 85 14.286% * 52.9705% (0.08 10.0 1.00 1.00 6.79) = 52.970% kept HA ASN 89 - HB2 SER 85 14.286% * 36.6521% (0.43 1.0 1.00 1.37 2.04) = 36.652% kept T HA LYS+ 44 - HB2 SER 85 14.286% * 5.1898% (0.41 1.0 10.00 0.02 0.02) = 5.190% kept T HB3 SER 77 - HB2 SER 85 14.286% * 4.2028% (0.34 1.0 10.00 0.02 0.02) = 4.203% kept HB THR 38 - HB2 SER 85 14.286% * 0.5247% (0.42 1.0 1.00 0.02 0.02) = 0.525% HB THR 39 - HB2 SER 85 14.286% * 0.2400% (0.19 1.0 1.00 0.02 0.02) = 0.240% HB3 HIS+ 5 - HB2 SER 85 14.286% * 0.2201% (0.18 1.0 1.00 0.02 0.02) = 0.220% 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): 11 chemical-shift based assignments, quality = 0.81, support = 0.705, residual support = 0.665: HG2 GLN 16 - QG1 VAL 99 9.091% * 49.5303% (0.97 1.02 0.98) = 49.530% kept HG2 GLN 102 - QG1 VAL 99 9.091% * 19.2511% (0.86 0.45 0.13) = 19.251% kept HG3 GLN 16 - QG1 VAL 99 9.091% * 15.3963% (0.64 0.48 0.98) = 15.396% kept HA1 GLY 58 - QG1 VAL 99 9.091% * 7.3314% (0.30 0.49 0.02) = 7.331% kept HB3 PRO 104 - QG1 VAL 99 9.091% * 3.9890% (0.98 0.08 0.02) = 3.989% kept HG2 PRO 104 - QG1 VAL 99 9.091% * 1.6983% (0.41 0.08 0.02) = 1.698% kept HB2 ASP- 82 - QG1 VAL 99 9.091% * 0.8896% (0.88 0.02 0.02) = 0.890% HG2 MET 126 - QG1 VAL 99 9.091% * 0.7203% (0.72 0.02 0.02) = 0.720% HB2 LYS+ 113 - QG1 VAL 99 9.091% * 0.5219% (0.52 0.02 0.02) = 0.522% HG3 GLU- 54 - QG1 VAL 99 9.091% * 0.3723% (0.37 0.02 0.02) = 0.372% HB3 GLU- 75 - QG1 VAL 99 9.091% * 0.2994% (0.30 0.02 0.02) = 0.299% 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 = 0.622, support = 0.499, residual support = 0.178: HB3 LYS+ 32 - QG1 VAL 99 10.000% * 27.3020% (0.78 0.64 0.36) = 27.302% kept HB3 LEU 17 - QG1 VAL 99 10.000% * 21.3996% (0.67 0.58 0.02) = 21.400% kept HD3 LYS+ 32 - QG1 VAL 99 10.000% * 19.4035% (0.75 0.47 0.36) = 19.403% kept HG3 LYS+ 110 - QG1 VAL 99 10.000% * 8.4649% (0.54 0.28 0.02) = 8.465% kept HG2 LYS+ 110 - QG1 VAL 99 10.000% * 8.0919% (0.51 0.29 0.02) = 8.092% kept HG LEU 17 - QG1 VAL 99 10.000% * 7.0997% (0.21 0.62 0.02) = 7.100% kept HG3 LYS+ 60 - QG1 VAL 99 10.000% * 3.7712% (0.26 0.26 0.02) = 3.771% kept HD3 LYS+ 60 - QG1 VAL 99 10.000% * 2.6186% (0.17 0.29 0.02) = 2.619% kept HB ILE 19 - QG1 VAL 99 10.000% * 1.5913% (0.23 0.12 0.02) = 1.591% kept HG3 LYS+ 78 - QG1 VAL 99 10.000% * 0.2574% (0.23 0.02 0.02) = 0.257% Peak 2999 (1.55, 1.54, 23.11 ppm): 1 diagonal assignment: QG2 THR 24 - QG2 THR 24 (0.93) kept Peak 3002 (1.58, 1.02, 23.15 ppm): 11 chemical-shift based assignments, quality = 0.463, support = 0.545, residual support = 0.167: HB3 LYS+ 32 - QG1 VAL 99 9.091% * 27.5641% (0.73 0.64 0.36) = 27.564% kept HG LEU 17 - QG1 VAL 99 9.091% * 16.6774% (0.46 0.62 0.02) = 16.677% kept HD3 LYS+ 32 - QG1 VAL 99 9.091% * 10.9927% (0.40 0.47 0.36) = 10.993% kept HB3 LEU 17 - QG1 VAL 99 9.091% * 10.6102% (0.31 0.58 0.02) = 10.610% kept HB3 LEU 9 - QG1 VAL 99 9.091% * 8.3541% (0.13 1.07 0.22) = 8.354% kept HG3 LYS+ 60 - QG1 VAL 99 9.091% * 8.1051% (0.52 0.26 0.02) = 8.105% kept HD3 LYS+ 60 - QG1 VAL 99 9.091% * 6.7229% (0.40 0.29 0.02) = 6.723% kept HB ILE 19 - QG1 VAL 99 9.091% * 3.5756% (0.49 0.12 0.02) = 3.576% kept HG3 LYS+ 110 - QG1 VAL 99 9.091% * 3.5134% (0.21 0.28 0.02) = 3.513% kept HG2 LYS+ 110 - QG1 VAL 99 9.091% * 3.2126% (0.19 0.29 0.02) = 3.213% kept HB3 LEU 90 - QG1 VAL 99 9.091% * 0.6720% (0.13 0.09 0.02) = 0.672% Peak 3004 (1.46, 0.73, 23.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3015 (1.00, 1.01, 23.12 ppm): 1 diagonal assignment: QG1 VAL 99 - QG1 VAL 99 (0.88) kept Peak 3016 (0.95, 0.95, 23.15 ppm): 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): 9 chemical-shift based assignments, quality = 0.767, support = 0.614, residual support = 0.235: QD2 LEU 9 - QG1 VAL 99 11.111% * 39.4354% (0.86 0.85 0.22) = 39.435% kept QD1 ILE 68 - QG1 VAL 99 11.111% * 22.1210% (0.86 0.48 0.30) = 22.121% kept QD1 LEU 9 - QG1 VAL 99 11.111% * 13.4005% (0.95 0.26 0.22) = 13.401% kept HG3 LYS+ 66 - QG1 VAL 99 11.111% * 9.5272% (0.95 0.19 0.02) = 9.527% kept HG LEU 74 - QG1 VAL 99 11.111% * 9.0200% (0.17 0.98 0.02) = 9.020% kept QG2 ILE 101 - QG1 VAL 99 11.111% * 5.1818% (0.17 0.58 0.90) = 5.182% kept QG2 VAL 40 - QG1 VAL 99 11.111% * 0.7067% (0.65 0.02 0.02) = 0.707% HG3 LYS+ 44 - QG1 VAL 99 11.111% * 0.3509% (0.33 0.02 0.02) = 0.351% QG2 ILE 48 - QG1 VAL 99 11.111% * 0.2565% (0.24 0.02 0.02) = 0.257% 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 = 0.46, support = 0.688, residual support = 0.854: T QD1 ILE 101 - QG1 VAL 99 50.000% * 89.6019% (0.43 10.00 0.71 0.90) = 89.602% kept QD1 LEU 23 - QG1 VAL 99 50.000% * 10.3981% (0.73 1.00 0.48 0.46) = 10.398% 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): 5 chemical-shift based assignments, quality = 0.308, support = 1.87, residual support = 13.5: O HN ARG+ 22 - HA PHE 21 20.000% * 50.1020% (0.35 10.0 1.56 5.56) = 50.102% kept O HN PHE 21 - HA PHE 21 20.000% * 47.4764% (0.26 10.0 2.28 22.60) = 47.476% kept HN MET 97 - HA PHE 21 20.000% * 1.6714% (0.44 1.0 0.42 0.42) = 1.671% kept HN THR 96 - HA PHE 21 20.000% * 0.6831% (0.32 1.0 0.24 0.02) = 0.683% HN LEU 17 - HA PHE 21 20.000% * 0.0671% (0.37 1.0 0.02 0.02) = 0.067% 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 = 0.114, support = 1.65, residual support = 6.73: HG LEU 74 - HA PHE 21 9.091% * 49.6031% (0.10 2.82 4.65) = 49.603% kept HG12 ILE 29 - HA PHE 21 9.091% * 13.7942% (0.13 0.62 16.57) = 13.794% kept QD1 LEU 17 - HA PHE 21 9.091% * 11.9158% (0.16 0.45 0.02) = 11.916% kept QG2 ILE 29 - HA PHE 21 9.091% * 11.5696% (0.11 0.60 16.57) = 11.570% kept HG12 ILE 68 - HA PHE 21 9.091% * 8.6913% (0.11 0.45 2.51) = 8.691% kept QG2 VAL 62 - HA PHE 21 9.091% * 2.7711% (0.13 0.13 0.02) = 2.771% kept QG1 VAL 105 - HA PHE 21 9.091% * 0.5340% (0.16 0.02 0.02) = 0.534% QG2 VAL 99 - HA PHE 21 9.091% * 0.3676% (0.11 0.02 0.02) = 0.368% QG2 VAL 73 - HA PHE 21 9.091% * 0.3462% (0.10 0.02 0.02) = 0.346% HG3 LYS+ 63 - HA PHE 21 9.091% * 0.3246% (0.09 0.02 0.02) = 0.325% HG13 ILE 68 - HA PHE 21 9.091% * 0.0826% (0.02 0.02 2.51) = 0.083% 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 = 0.643, support = 4.1, residual support = 23.1: O HN ILE 29 - HA ASP- 28 50.000% * 98.2594% (0.65 10.0 4.16 23.50) = 98.259% kept HN LEU 23 - HA ASP- 28 50.000% * 1.7406% (0.29 1.0 0.79 0.02) = 1.741% 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 = 0.691, support = 3.44, residual support = 31.7: O T HB3 ASP- 28 - HA ASP- 28 33.333% * 95.1918% (0.70 10.0 10.00 3.57 33.29) = 95.192% kept HA1 GLY 58 - HA ASP- 28 33.333% * 3.4854% (0.51 1.0 1.00 0.99 0.02) = 3.485% kept HB2 LYS+ 78 - HA ASP- 28 33.333% * 1.3228% (0.75 1.0 1.00 0.26 0.28) = 1.323% kept Peak 3166 (2.14, 5.98, 53.56 ppm): 9 chemical-shift based assignments, quality = 0.916, support = 2.96, residual support = 32.8: O T HB2 ASP- 28 - HA ASP- 28 11.111% * 98.4360% (0.93 10.0 10.00 3.00 33.29) = 98.436% kept HA1 GLY 58 - HA ASP- 28 11.111% * 1.1545% (0.22 1.0 1.00 0.99 0.02) = 1.154% kept HB VAL 47 - HA ASP- 28 11.111% * 0.0984% (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% * 0.0795% (0.75 1.0 1.00 0.02 0.28) = 0.080% HB3 GLU- 75 - HA ASP- 28 11.111% * 0.0751% (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% * 0.0197% (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 = 3.72, residual support = 20.5: O HN ILE 68 - HA LEU 67 33.333% * 99.2889% (0.38 10.0 3.75 20.60) = 99.289% kept HN ASP- 36 - HA LEU 67 33.333% * 0.6720% (0.68 1.0 0.08 0.02) = 0.672% 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 = 0.64, support = 3.59, residual support = 24.9: HG LEU 74 - HA LEU 67 50.000% * 74.8306% (0.75 3.75 26.34) = 74.831% kept HB ILE 68 - HA LEU 67 50.000% * 25.1694% (0.30 3.12 20.60) = 25.169% kept Peak 3174 (0.91, 5.57, 52.81 ppm): 14 chemical-shift based assignments, quality = 0.612, support = 3.22, residual support = 23.6: HG13 ILE 68 - HA LEU 67 7.143% * 41.0633% (0.71 3.56 20.60) = 41.063% kept QD1 LEU 67 - HA LEU 67 7.143% * 28.5931% (0.67 2.61 28.16) = 28.593% kept HG LEU 74 - HA LEU 67 7.143% * 26.9135% (0.44 3.75 26.34) = 26.913% kept QG2 VAL 73 - HA LEU 67 7.143% * 2.2412% (0.60 0.23 0.02) = 2.241% kept QG2 VAL 87 - HA LEU 67 7.143% * 0.2254% (0.69 0.02 0.02) = 0.225% QG1 VAL 47 - HA LEU 67 7.143% * 0.2040% (0.62 0.02 0.02) = 0.204% QG2 VAL 105 - HA LEU 67 7.143% * 0.1955% (0.60 0.02 0.02) = 0.196% QG2 VAL 99 - HA LEU 67 7.143% * 0.1866% (0.57 0.02 0.02) = 0.187% QG1 VAL 80 - HA LEU 67 7.143% * 0.1004% (0.31 0.02 0.02) = 0.100% QD1 LEU 17 - HA LEU 67 7.143% * 0.0679% (0.21 0.02 0.02) = 0.068% QG1 VAL 122 - HA LEU 67 7.143% * 0.0679% (0.21 0.02 0.02) = 0.068% QG1 VAL 105 - HA LEU 67 7.143% * 0.0609% (0.19 0.02 0.02) = 0.061% QG2 VAL 47 - HA LEU 67 7.143% * 0.0428% (0.13 0.02 0.02) = 0.043% QG2 VAL 125 - HA LEU 67 7.143% * 0.0377% (0.12 0.02 0.02) = 0.038% Peak 3178 (-0.10, 5.28, 51.29 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3182 (9.54, 5.30, 49.08 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3183 (8.71, 5.26, 49.08 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3184 (6.10, 5.31, 48.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3191 (1.59, 5.30, 47.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3192 (1.21, 5.29, 47.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3193 (0.78, 5.28, 47.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3194 (0.01, 5.29, 47.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3196 (5.54, 5.29, 47.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3197 (2.97, 5.32, 44.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3198 (6.87, 5.30, 44.36 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3199 (4.70, 5.29, 44.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3200 (3.30, 5.32, 44.24 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3201 (0.89, 5.29, 43.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3202 (8.72, 5.32, 43.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3203 (9.28, 5.30, 43.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3204 (7.82, 5.29, 42.87 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3216 (8.27, 5.30, 41.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3220 (6.60, 5.30, 39.85 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3221 (7.72, 5.34, 39.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3222 (6.25, 5.28, 39.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3229 (1.99, 5.29, 39.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3231 (4.85, 5.28, 39.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3244 (7.02, 5.34, 34.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3249 (8.28, 5.33, 72.17 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3250 (4.93, 5.30, 71.67 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3260 (9.49, 5.29, 29.92 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3273 (4.73, 5.29, 27.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3274 (9.50, 5.33, 26.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3298 (0.82, 0.82, 21.27 ppm): 2 diagonal assignments: QG1 VAL 94 - QG1 VAL 94 (0.46) kept QG2 VAL 13 - QG2 VAL 13 (0.05) kept Peak 3299 (0.70, 0.70, 21.32 ppm): 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): 1 diagonal assignment: QG2 VAL 13 - QG2 VAL 13 (0.72) kept 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): 13 chemical-shift based assignments, quality = 0.458, support = 1.56, residual support = 2.35: HB3 GLU- 75 - QG2 ILE 101 7.692% * 76.1028% (0.51 1.94 3.08) = 76.103% kept HB2 GLU- 45 - QG2 ILE 101 7.692% * 8.3183% (0.35 0.30 0.02) = 8.318% kept HA1 GLY 58 - QG2 ILE 101 7.692% * 5.9605% (0.09 0.89 0.02) = 5.961% kept HG3 ARG+ 53 - QG2 ILE 101 7.692% * 4.5582% (0.57 0.10 0.02) = 4.558% kept HB3 LYS+ 120 - QG2 ILE 101 7.692% * 2.8663% (0.42 0.09 0.02) = 2.866% kept HB3 GLU- 10 - QG2 ILE 101 7.692% * 0.4763% (0.31 0.02 0.02) = 0.476% HD3 LYS+ 110 - QG2 ILE 101 7.692% * 0.3088% (0.20 0.02 0.02) = 0.309% HG3 PRO 86 - QG2 ILE 101 7.692% * 0.3088% (0.20 0.02 0.02) = 0.309% HB VAL 62 - QG2 ILE 101 7.692% * 0.3088% (0.20 0.02 0.02) = 0.309% HB2 LYS+ 110 - QG2 ILE 101 7.692% * 0.2517% (0.16 0.02 0.02) = 0.252% HB2 LEU 43 - QG2 ILE 101 7.692% * 0.2016% (0.13 0.02 0.02) = 0.202% HB VAL 125 - QG2 ILE 101 7.692% * 0.1792% (0.12 0.02 0.02) = 0.179% HB3 LYS+ 110 - QG2 ILE 101 7.692% * 0.1586% (0.10 0.02 0.02) = 0.159% Peak 3305 (9.31, 0.95, 17.31 ppm): 4 chemical-shift based assignments, quality = 0.773, support = 5.5, residual support = 59.7: HN ILE 29 - QG2 ILE 29 25.000% * 49.7898% (0.92 5.63 65.06) = 49.790% kept HN ILE 29 - HG12 ILE 29 25.000% * 40.7152% (0.67 6.37 65.06) = 40.715% kept HN LEU 23 - QG2 ILE 29 25.000% * 4.9507% (0.53 0.98 8.51) = 4.951% kept HN LEU 23 - HG12 ILE 29 25.000% * 4.5442% (0.38 1.25 8.51) = 4.544% kept Peak 3306 (0.91, 3.93, 56.31 ppm): 14 chemical-shift based assignments, quality = 0.109, support = 2.16, residual support = 2.03: HG LEU 74 - HA LYS+ 44 7.143% * 51.7358% (0.10 3.51 3.69) = 51.736% kept QG2 VAL 73 - HA LYS+ 44 7.143% * 21.8007% (0.15 0.96 0.23) = 21.801% kept QG2 VAL 87 - HA LYS+ 44 7.143% * 12.3137% (0.13 0.63 0.32) = 12.314% kept QG1 VAL 105 - HA LYS+ 44 7.143% * 3.4068% (0.06 0.37 0.02) = 3.407% kept HG12 ILE 29 - HA LYS+ 44 7.143% * 2.9636% (0.03 0.78 0.02) = 2.964% kept HG13 ILE 68 - HA LYS+ 44 7.143% * 2.1560% (0.14 0.11 0.72) = 2.156% kept QD1 LEU 67 - HA LYS+ 44 7.143% * 2.1550% (0.13 0.11 0.02) = 2.155% kept QG2 VAL 62 - HA LYS+ 44 7.143% * 1.9480% (0.02 0.59 0.85) = 1.948% kept QG2 VAL 99 - HA LYS+ 44 7.143% * 0.4406% (0.15 0.02 0.02) = 0.441% QG1 VAL 47 - HA LYS+ 44 7.143% * 0.3374% (0.11 0.02 0.02) = 0.337% QG2 VAL 105 - HA LYS+ 44 7.143% * 0.3178% (0.11 0.02 0.02) = 0.318% QD1 LEU 17 - HA LYS+ 44 7.143% * 0.2020% (0.07 0.02 0.02) = 0.202% QG1 VAL 80 - HA LYS+ 44 7.143% * 0.1366% (0.05 0.02 0.40) = 0.137% QG1 VAL 122 - HA LYS+ 44 7.143% * 0.0860% (0.03 0.02 0.02) = 0.086% Not enough quality. Peak unassigned. Peak 3307 (2.37, 3.93, 56.31 ppm): 5 chemical-shift based assignments, quality = 0.102, support = 2.42, residual support = 3.08: HA1 GLY 58 - HA LYS+ 44 20.000% * 93.3335% (0.11 2.57 3.29) = 93.333% kept HG3 GLU- 50 - HA LYS+ 44 20.000% * 4.8690% (0.05 0.32 0.25) = 4.869% kept HB2 LYS+ 78 - HA LYS+ 44 20.000% * 0.7612% (0.11 0.02 0.02) = 0.761% HB2 CYS 121 - HA LYS+ 44 20.000% * 0.5394% (0.08 0.02 0.02) = 0.539% HB3 ASP- 28 - HA LYS+ 44 20.000% * 0.4968% (0.07 0.02 0.02) = 0.497% Not enough quality. Peak unassigned. Peak 3308 (4.00, 0.69, 14.32 ppm): 16 chemical-shift based assignments, quality = 0.522, support = 1.87, residual support = 2.47: HA ASN 89 - QD1 ILE 19 6.250% * 43.9523% (0.61 1.00 2.36 3.37) = 43.952% kept HB THR 95 - QD1 ILE 19 6.250% * 27.0329% (0.51 1.00 1.72 1.95) = 27.033% kept HA LYS+ 44 - QD1 ILE 19 6.250% * 17.4790% (0.61 1.00 0.93 0.48) = 17.479% kept HA ASN 89 - QD1 ILE 68 6.250% * 8.8881% (0.12 1.00 2.34 4.23) = 8.888% kept T HA LYS+ 44 - QD1 ILE 68 6.250% * 0.7659% (0.12 10.00 0.02 0.72) = 0.766% HB3 HIS+ 5 - QD1 ILE 19 6.250% * 0.3733% (0.61 1.00 0.02 0.02) = 0.373% HB THR 39 - QD1 ILE 19 6.250% * 0.3692% (0.60 1.00 0.02 0.02) = 0.369% HB3 SER 77 - QD1 ILE 19 6.250% * 0.3586% (0.58 1.00 0.02 0.02) = 0.359% HA1 GLY 92 - QD1 ILE 19 6.250% * 0.3146% (0.51 1.00 0.02 0.02) = 0.315% HB THR 38 - QD1 ILE 19 6.250% * 0.0939% (0.15 1.00 0.02 0.02) = 0.094% HB3 HIS+ 5 - QD1 ILE 68 6.250% * 0.0761% (0.12 1.00 0.02 0.02) = 0.076% HB THR 39 - QD1 ILE 68 6.250% * 0.0753% (0.12 1.00 0.02 0.02) = 0.075% HB3 SER 77 - QD1 ILE 68 6.250% * 0.0732% (0.12 1.00 0.02 0.02) = 0.073% HA1 GLY 92 - QD1 ILE 68 6.250% * 0.0642% (0.10 1.00 0.02 0.02) = 0.064% HB THR 95 - QD1 ILE 68 6.250% * 0.0642% (0.10 1.00 0.02 0.02) = 0.064% HB THR 38 - QD1 ILE 68 6.250% * 0.0192% (0.03 1.00 0.02 0.02) = 0.019% 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 = 0.627, residual support = 0.619: HA1 GLY 58 - QD1 ILE 100 33.333% * 80.1728% (0.47 0.75 0.77) = 80.173% kept HE3 LYS+ 60 - QD1 ILE 100 33.333% * 17.4214% (0.46 0.16 0.02) = 17.421% kept HG3 MET 97 - QD1 ILE 100 33.333% * 2.4058% (0.53 0.02 0.02) = 2.406% 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 = 2.26, residual support = 20.1: O HG3 PRO 104 - HD2 PRO 104 11.111% * 99.5889% (0.33 10.0 2.27 20.15) = 99.589% kept 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% * 0.0730% (0.25 1.0 0.02 0.02) = 0.073% HB VAL 13 - HD2 PRO 104 11.111% * 0.0650% (0.22 1.0 0.02 0.02) = 0.065% 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) = 0.016% 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 = 0.391, support = 1.36, residual support = 25.1: T QD2 LEU 74 - HB3 LEU 67 33.333% * 88.8721% (0.39 10.00 1.40 26.34) = 88.872% kept QG2 ILE 68 - HB3 LEU 67 33.333% * 8.1241% (0.41 1.00 1.24 20.60) = 8.124% kept QD2 LEU 43 - HB3 LEU 67 33.333% * 3.0037% (0.31 1.00 0.60 1.80) = 3.004% 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 = 3.41, residual support = 28.2: O HA LEU 67 - HB3 LEU 67 100.000% *100.0000% (0.06 10.0 3.41 28.16) = 100.000% kept Peak 3327 (1.39, 2.13, 45.41 ppm): 10 chemical-shift based assignments, quality = 0.313, support = 1.73, residual support = 3.33: HB2 LYS+ 20 - HB2 ASP- 28 10.000% * 37.9987% (0.36 2.08 3.74) = 37.999% kept HB3 LYS+ 20 - HB2 ASP- 28 10.000% * 26.1330% (0.25 2.11 3.74) = 26.133% kept HD3 LYS+ 20 - HB2 ASP- 28 10.000% * 23.6359% (0.36 1.29 3.74) = 23.636% kept HG LEU 74 - HB2 ASP- 28 10.000% * 8.6451% (0.19 0.91 0.49) = 8.645% kept HG2 LYS+ 78 - HB2 ASP- 28 10.000% * 2.7092% (0.26 0.21 0.28) = 2.709% kept QG2 THR 39 - HB2 ASP- 28 10.000% * 0.3409% (0.34 0.02 0.02) = 0.341% QB ALA 42 - HB2 ASP- 28 10.000% * 0.1678% (0.17 0.02 0.02) = 0.168% QB ALA 37 - HB2 ASP- 28 10.000% * 0.1392% (0.14 0.02 0.02) = 0.139% QG2 THR 38 - HB2 ASP- 28 10.000% * 0.1392% (0.14 0.02 0.02) = 0.139% QB ALA 91 - HB2 ASP- 28 10.000% * 0.0909% (0.09 0.02 0.02) = 0.091% Peak 3328 (1.02, 2.13, 45.41 ppm): 4 chemical-shift based assignments, quality = 0.316, support = 1.25, residual support = 1.59: HG2 LYS+ 20 - HB2 ASP- 28 25.000% * 36.3552% (0.23 2.07 3.74) = 36.355% kept HG LEU 74 - HB2 ASP- 28 25.000% * 24.6355% (0.35 0.91 0.49) = 24.635% kept HG13 ILE 100 - HB2 ASP- 28 25.000% * 21.3425% (0.40 0.70 0.28) = 21.342% kept QG1 VAL 99 - HB2 ASP- 28 25.000% * 17.6669% (0.34 0.68 0.30) = 17.667% kept Peak 3329 (1.39, 2.38, 45.41 ppm): 10 chemical-shift based assignments, quality = 0.312, support = 1.72, residual support = 3.43: HB2 LYS+ 20 - HB3 ASP- 28 10.000% * 39.6808% (0.36 2.03 3.74) = 39.681% kept HB3 LYS+ 20 - HB3 ASP- 28 10.000% * 27.0043% (0.25 2.04 3.74) = 27.004% kept HD3 LYS+ 20 - HB3 ASP- 28 10.000% * 23.9511% (0.36 1.23 3.74) = 23.951% kept HG LEU 74 - HB3 ASP- 28 10.000% * 8.1451% (0.19 0.81 0.49) = 8.145% kept QG2 THR 39 - HB3 ASP- 28 10.000% * 0.3638% (0.34 0.02 0.02) = 0.364% HG2 LYS+ 78 - HB3 ASP- 28 10.000% * 0.2817% (0.26 0.02 0.28) = 0.282% QB ALA 42 - HB3 ASP- 28 10.000% * 0.1790% (0.17 0.02 0.02) = 0.179% QB ALA 37 - HB3 ASP- 28 10.000% * 0.1486% (0.14 0.02 0.02) = 0.149% QG2 THR 38 - HB3 ASP- 28 10.000% * 0.1486% (0.14 0.02 0.02) = 0.149% QB ALA 91 - HB3 ASP- 28 10.000% * 0.0970% (0.09 0.02 0.02) = 0.097% Peak 3330 (1.02, 2.38, 45.41 ppm): 4 chemical-shift based assignments, quality = 0.284, support = 1.14, residual support = 1.35: HG2 LYS+ 20 - HB3 ASP- 28 25.000% * 29.0576% (0.14 2.15 3.74) = 29.058% kept HG LEU 74 - HB3 ASP- 28 25.000% * 28.2098% (0.36 0.81 0.49) = 28.210% kept HG13 ILE 100 - HB3 ASP- 28 25.000% * 25.8624% (0.40 0.67 0.28) = 25.862% kept QG1 VAL 99 - HB3 ASP- 28 25.000% * 16.8702% (0.25 0.70 0.30) = 16.870% kept Peak 3331 (0.68, 3.46, 45.57 ppm): 9 chemical-shift based assignments, quality = 0.508, support = 1.47, residual support = 1.24: HG12 ILE 19 - HA1 GLY 71 11.111% * 39.9332% (0.54 2.01 1.67) = 39.933% kept QG1 VAL 62 - HA1 GLY 71 11.111% * 21.3976% (0.42 1.40 0.92) = 21.398% kept QG2 VAL 94 - HA1 GLY 71 11.111% * 19.7949% (0.54 1.01 0.35) = 19.795% kept QD1 ILE 19 - HA1 GLY 71 11.111% * 18.1214% (0.52 0.96 1.67) = 18.121% kept HG LEU 67 - HA1 GLY 71 11.111% * 0.2111% (0.29 0.02 0.02) = 0.211% HB2 LEU 9 - HA1 GLY 71 11.111% * 0.1953% (0.27 0.02 0.02) = 0.195% HG2 PRO 59 - HA1 GLY 71 11.111% * 0.1953% (0.27 0.02 0.02) = 0.195% QG2 ILE 101 - HA1 GLY 71 11.111% * 0.0893% (0.12 0.02 0.02) = 0.089% QG2 ILE 48 - HA1 GLY 71 11.111% * 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 = 0.0753, support = 2.47, residual support = 12.7: HB2 LEU 67 - HB ILE 68 8.333% * 61.0352% (0.05 3.78 20.60) = 61.035% kept HB ILE 100 - HB ILE 68 8.333% * 14.2562% (0.05 0.88 1.01) = 14.256% kept HG3 LYS+ 78 - HB ILE 68 8.333% * 9.8333% (0.12 0.25 0.10) = 9.833% kept HG12 ILE 101 - HB ILE 68 8.333% * 4.8629% (0.05 0.30 0.02) = 4.863% kept HD3 LYS+ 32 - HB ILE 68 8.333% * 2.0201% (0.31 0.02 0.02) = 2.020% kept HB3 LEU 17 - HB ILE 68 8.333% * 1.8773% (0.29 0.02 0.02) = 1.877% kept HB3 LYS+ 32 - HB ILE 68 8.333% * 1.7484% (0.27 0.02 0.02) = 1.748% kept HG3 LYS+ 110 - HB ILE 68 8.333% * 1.5997% (0.24 0.02 0.02) = 1.600% kept HG2 LYS+ 110 - HB ILE 68 8.333% * 1.5200% (0.23 0.02 0.02) = 1.520% kept HG3 LYS+ 60 - HB ILE 68 8.333% * 0.4660% (0.07 0.02 0.02) = 0.466% HB ILE 19 - HB ILE 68 8.333% * 0.4143% (0.06 0.02 5.21) = 0.414% HG LEU 17 - HB ILE 68 8.333% * 0.3666% (0.06 0.02 0.02) = 0.367% 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): 3 chemical-shift based assignments, quality = 0.613, support = 3.13, residual support = 11.3: QD PHE 21 - HB ILE 29 33.333% * 61.0021% (0.50 4.25 16.57) = 61.002% kept HD22 ASN 15 - HB ILE 29 33.333% * 35.5732% (0.83 1.48 3.40) = 35.573% kept HD21 ASN 119 - HB ILE 29 33.333% * 3.4246% (0.33 0.36 0.02) = 3.425% kept Peak 3337 (5.29, 2.74, 39.91 ppm): 1 chemical-shift based assignment, quality = 0.0461, support = 0.286, residual support = 0.575: HA PHE 21 - HB3 ASN 15 100.000% *100.0000% (0.05 0.29 0.57) = 100.000% kept Not enough quality. 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 = 0.14, support = 1.48, residual support = 1.93: HN GLU- 64 - HG3 GLU- 64 50.000% * 62.3273% (0.06 2.21 3.09) = 62.327% kept HN THR 61 - HG3 GLU- 64 50.000% * 37.6727% (0.28 0.27 0.02) = 37.673% 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): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3342 (4.24, 2.02, 30.22 ppm): 38 chemical-shift based assignments, quality = 0.107, support = 1.3, residual support = 6.58: O HB3 HIS+ 14 - HB2 HIS+ 14 2.632% * 40.0979% (0.05 10.0 1.85 3.82) = 40.098% kept O HA GLU- 75 - HB3 GLU- 75 2.632% * 26.3530% (0.07 10.0 1.00 18.79) = 26.353% kept HA ASN 89 - HB2 HIS+ 14 2.632% * 15.8963% (0.28 1.0 1.40 0.59) = 15.896% kept HA ASN 89 - HB3 GLU- 75 2.632% * 6.1343% (0.22 1.0 0.71 0.02) = 6.134% kept HA GLU- 56 - HB3 GLU- 75 2.632% * 2.7702% (0.11 1.0 0.60 0.02) = 2.770% kept HA GLU- 54 - HB3 GLU- 75 2.632% * 2.2126% (0.22 1.0 0.25 0.02) = 2.213% kept HA VAL 73 - HB3 GLU- 75 2.632% * 1.5291% (0.10 1.0 0.37 0.02) = 1.529% kept HA LYS+ 44 - HB3 GLU- 75 2.632% * 0.9183% (0.03 1.0 0.67 0.02) = 0.918% HA HIS+ 8 - HB2 HIS+ 14 2.632% * 0.2455% (0.31 1.0 0.02 0.02) = 0.246% HA GLU- 54 - HB2 HIS+ 14 2.632% * 0.2343% (0.29 1.0 0.02 0.02) = 0.234% HA PRO 59 - HB2 HIS+ 14 2.632% * 0.2222% (0.28 1.0 0.02 0.02) = 0.222% HA SER 49 - HB2 HIS+ 14 2.632% * 0.2222% (0.28 1.0 0.02 0.02) = 0.222% HA LYS+ 108 - HB2 HIS+ 14 2.632% * 0.2149% (0.27 1.0 0.02 0.02) = 0.215% HA GLU- 18 - HB2 HIS+ 14 2.632% * 0.2149% (0.27 1.0 0.02 0.02) = 0.215% HA HIS+ 8 - HB3 GLU- 75 2.632% * 0.1879% (0.23 1.0 0.02 0.02) = 0.188% HA HIS+ 4 - HB2 HIS+ 14 2.632% * 0.1799% (0.22 1.0 0.02 0.02) = 0.180% HA PRO 59 - HB3 GLU- 75 2.632% * 0.1700% (0.21 1.0 0.02 0.02) = 0.170% HA SER 49 - HB3 GLU- 75 2.632% * 0.1700% (0.21 1.0 0.02 0.02) = 0.170% HA GLU- 18 - HB3 GLU- 75 2.632% * 0.1644% (0.20 1.0 0.02 0.02) = 0.164% HA LYS+ 108 - HB3 GLU- 75 2.632% * 0.1644% (0.20 1.0 0.02 0.02) = 0.164% HA2 GLY 114 - HB2 HIS+ 14 2.632% * 0.1502% (0.19 1.0 0.02 0.02) = 0.150% HA HIS+ 4 - HB3 GLU- 75 2.632% * 0.1377% (0.17 1.0 0.02 0.02) = 0.138% HA ALA 42 - HB2 HIS+ 14 2.632% * 0.1303% (0.16 1.0 0.02 0.02) = 0.130% HA GLU- 56 - HB2 HIS+ 14 2.632% * 0.1206% (0.15 1.0 0.02 0.02) = 0.121% HA LYS+ 110 - HB2 HIS+ 14 2.632% * 0.1206% (0.15 1.0 0.02 0.02) = 0.121% HA2 GLY 114 - HB3 GLU- 75 2.632% * 0.1150% (0.14 1.0 0.02 0.02) = 0.115% HB3 SER 49 - HB2 HIS+ 14 2.632% * 0.1111% (0.14 1.0 0.02 0.02) = 0.111% HA VAL 73 - HB2 HIS+ 14 2.632% * 0.1087% (0.14 1.0 0.02 0.02) = 0.109% HA GLU- 12 - HB2 HIS+ 14 2.632% * 0.1018% (0.13 1.0 0.02 0.02) = 0.102% HA ALA 42 - HB3 GLU- 75 2.632% * 0.0997% (0.12 1.0 0.02 0.02) = 0.100% HA LYS+ 110 - HB3 GLU- 75 2.632% * 0.0923% (0.11 1.0 0.02 0.02) = 0.092% HB3 SER 49 - HB3 GLU- 75 2.632% * 0.0850% (0.11 1.0 0.02 0.02) = 0.085% HA GLU- 12 - HB3 GLU- 75 2.632% * 0.0779% (0.10 1.0 0.02 0.02) = 0.078% HA GLU- 75 - HB2 HIS+ 14 2.632% * 0.0689% (0.09 1.0 0.02 0.02) = 0.069% HA ALA 11 - HB2 HIS+ 14 2.632% * 0.0618% (0.08 1.0 0.02 0.02) = 0.062% HA ALA 11 - HB3 GLU- 75 2.632% * 0.0473% (0.06 1.0 0.02 0.02) = 0.047% HA LYS+ 44 - HB2 HIS+ 14 2.632% * 0.0357% (0.04 1.0 0.02 0.02) = 0.036% HB3 HIS+ 14 - HB3 GLU- 75 2.632% * 0.0332% (0.04 1.0 0.02 0.02) = 0.033% Peak 3343 (4.37, 4.36, 72.92 ppm): 14 chemical-shift based assignments, quality = 0.246, support = 1.26, residual support = 9.85: HA LYS+ 60 - HB THR 61 7.143% * 79.1507% (0.27 1.55 12.44) = 79.151% kept HA ASN 89 - HB THR 61 7.143% * 11.5199% (0.21 0.29 0.02) = 11.520% kept HA VAL 73 - HB THR 61 7.143% * 1.0312% (0.28 0.02 0.02) = 1.031% kept HA THR 38 - HB THR 61 7.143% * 1.0302% (0.27 0.02 0.02) = 1.030% kept HA ALA 37 - HB THR 61 7.143% * 0.9964% (0.27 0.02 0.02) = 0.996% HA ASN 57 - HB THR 61 7.143% * 0.9767% (0.26 0.02 0.02) = 0.977% HB3 HIS+ 4 - HB THR 61 7.143% * 0.9531% (0.25 0.02 0.02) = 0.953% HA2 GLY 26 - HB THR 61 7.143% * 0.8624% (0.23 0.02 0.02) = 0.862% HA TRP 51 - HB THR 61 7.143% * 0.7890% (0.21 0.02 0.02) = 0.789% HA LYS+ 117 - HB THR 61 7.143% * 0.7497% (0.20 0.02 0.02) = 0.750% HA MET 1 - HB THR 61 7.143% * 0.6262% (0.17 0.02 0.02) = 0.626% HA1 GLY 26 - HB THR 61 7.143% * 0.5026% (0.13 0.02 0.02) = 0.503% HA SER 88 - HB THR 61 7.143% * 0.4245% (0.11 0.02 0.02) = 0.424% HA HIS+ 3 - HB THR 61 7.143% * 0.3875% (0.10 0.02 0.02) = 0.387% Peak 3344 (4.72, 4.36, 72.92 ppm): 6 chemical-shift based assignments, quality = 0.0432, support = 2.82, residual support = 15.4: O HA THR 61 - HB THR 61 16.667% * 95.5920% (0.04 10.0 2.94 16.14) = 95.592% kept HA ASN 89 - HB THR 61 16.667% * 2.9143% (0.09 1.0 0.29 0.02) = 2.914% kept HA2 GLY 30 - HB THR 61 16.667% * 0.6182% (0.27 1.0 0.02 0.02) = 0.618% HA PRO 31 - HB THR 61 16.667% * 0.5556% (0.25 1.0 0.02 0.02) = 0.556% HA HIS+ 7 - HB THR 61 16.667% * 0.2113% (0.09 1.0 0.02 0.02) = 0.211% HA GLN 16 - HB THR 61 16.667% * 0.1085% (0.05 1.0 0.02 0.02) = 0.109% Peak 3345 (8.77, 4.36, 72.92 ppm): 4 chemical-shift based assignments, quality = 0.186, support = 3.93, residual support = 11.6: HN VAL 62 - HB THR 61 25.000% * 98.4239% (0.19 4.00 11.80) = 98.424% kept HN PHE 34 - HB THR 61 25.000% * 0.6220% (0.24 0.02 0.02) = 0.622% HN THR 95 - HB THR 61 25.000% * 0.5480% (0.21 0.02 0.02) = 0.548% HN SER 69 - HB THR 61 25.000% * 0.4060% (0.16 0.02 0.02) = 0.406% Peak 3346 (1.46, 0.39, 29.23 ppm): 14 chemical-shift based assignments, quality = 0.531, support = 1.56, residual support = 6.02: HB3 LEU 67 - HG12 ILE 48 7.143% * 35.4187% (0.79 1.40 6.79) = 35.419% kept HB3 LEU 67 - HG13 ILE 48 7.143% * 33.0181% (0.53 1.95 6.79) = 33.018% kept HG LEU 74 - HG12 ILE 48 7.143% * 12.9911% (0.28 1.47 5.70) = 12.991% kept HG LEU 74 - HG13 ILE 48 7.143% * 11.0161% (0.18 1.87 5.70) = 11.016% kept HB3 LYS+ 60 - HG12 ILE 48 7.143% * 3.9247% (0.32 0.38 0.02) = 3.925% kept HB3 LYS+ 60 - HG13 ILE 48 7.143% * 2.5997% (0.22 0.38 0.02) = 2.600% kept HG LEU 90 - HG12 ILE 48 7.143% * 0.2499% (0.39 0.02 0.02) = 0.250% QB ALA 70 - HG12 ILE 48 7.143% * 0.1690% (0.26 0.02 0.02) = 0.169% HG LEU 90 - HG13 ILE 48 7.143% * 0.1665% (0.26 0.02 0.02) = 0.166% QB ALA 70 - HG13 ILE 48 7.143% * 0.1126% (0.18 0.02 0.02) = 0.113% HG3 LYS+ 55 - HG12 ILE 48 7.143% * 0.1064% (0.17 0.02 0.02) = 0.106% HD3 LYS+ 113 - HG12 ILE 48 7.143% * 0.0938% (0.15 0.02 0.02) = 0.094% HG3 LYS+ 55 - HG13 ILE 48 7.143% * 0.0709% (0.11 0.02 0.02) = 0.071% HD3 LYS+ 113 - HG13 ILE 48 7.143% * 0.0625% (0.10 0.02 0.02) = 0.062% 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): 9 chemical-shift based assignments, quality = 0.439, support = 3.74, residual support = 34.9: O HB VAL 47 - HA VAL 47 11.111% * 96.5532% (0.44 10.0 3.86 36.12) = 96.553% kept HG3 GLN 102 - HA VAL 47 11.111% * 2.0415% (0.52 1.0 0.36 0.48) = 2.041% kept HB3 GLU- 75 - HA VAL 47 11.111% * 0.7779% (0.37 1.0 0.19 0.02) = 0.778% HB2 ASP- 28 - HA VAL 47 11.111% * 0.3698% (0.44 1.0 0.08 0.02) = 0.370% HB3 LYS+ 78 - HA VAL 47 11.111% * 0.1195% (0.55 1.0 0.02 0.02) = 0.120% HG2 PRO 104 - HA VAL 47 11.111% * 0.0587% (0.27 1.0 0.02 0.02) = 0.059% HG3 GLN 16 - HA VAL 47 11.111% * 0.0335% (0.15 1.0 0.02 0.02) = 0.034% HA1 GLY 58 - HA VAL 47 11.111% * 0.0295% (0.14 1.0 0.02 0.02) = 0.030% HG2 GLN 102 - HA VAL 47 11.111% * 0.0163% (0.08 1.0 0.02 0.48) = 0.016% Peak 3349 (0.94, 3.44, 66.58 ppm): 10 chemical-shift based assignments, quality = 0.79, support = 2.23, residual support = 27.2: O QG2 VAL 62 - HA VAL 62 10.000% * 86.4129% (0.82 10.0 2.33 30.13) = 86.413% kept HG3 LYS+ 63 - HA VAL 62 10.000% * 6.2161% (0.68 1.0 1.74 16.85) = 6.216% kept HG LEU 74 - HA VAL 62 10.000% * 5.9563% (0.60 1.0 1.90 1.71) = 5.956% kept QG2 ILE 29 - HA VAL 62 10.000% * 0.9680% (0.77 1.0 0.24 0.02) = 0.968% QG1 VAL 105 - HA VAL 62 10.000% * 0.0918% (0.88 1.0 0.02 0.02) = 0.092% QD1 LEU 17 - HA VAL 62 10.000% * 0.0903% (0.86 1.0 0.02 0.02) = 0.090% HG12 ILE 29 - HA VAL 62 10.000% * 0.0886% (0.84 1.0 0.02 0.02) = 0.089% HG12 ILE 68 - HA VAL 62 10.000% * 0.0812% (0.77 1.0 0.02 0.02) = 0.081% QG2 VAL 99 - HA VAL 62 10.000% * 0.0493% (0.47 1.0 0.02 0.02) = 0.049% QG2 VAL 73 - HA VAL 62 10.000% * 0.0456% (0.43 1.0 0.02 0.02) = 0.046% Peak 3350 (0.90, 0.89, 25.09 ppm): 28 chemical-shift based assignments, quality = 0.159, support = 0.657, residual support = 0.563: HG LEU 74 - QD1 LEU 17 3.571% * 36.2187% (0.07 1.64 1.52) = 36.219% kept QG2 VAL 105 - QD1 LEU 90 3.571% * 15.0981% (0.28 0.16 0.02) = 15.098% kept QG2 VAL 87 - QD1 LEU 90 3.571% * 13.0609% (0.26 0.15 0.02) = 13.061% kept HG13 ILE 68 - QD1 LEU 90 3.571% * 9.2960% (0.25 0.11 0.02) = 9.296% kept QG1 VAL 47 - QD1 LEU 17 3.571% * 4.1910% (0.12 0.11 0.02) = 4.191% kept QG2 VAL 105 - QD1 LEU 17 3.571% * 3.2738% (0.12 0.08 0.02) = 3.274% kept QG1 VAL 47 - QD1 LEU 90 3.571% * 1.8470% (0.28 0.02 0.02) = 1.847% kept QG1 VAL 80 - QD1 LEU 90 3.571% * 1.8024% (0.27 0.02 0.02) = 1.802% kept QD1 LEU 67 - QD1 LEU 90 3.571% * 1.7511% (0.26 0.02 0.02) = 1.751% kept QG1 VAL 122 - QD1 LEU 90 3.571% * 1.5635% (0.24 0.02 0.02) = 1.563% kept QG2 VAL 47 - QD1 LEU 90 3.571% * 1.2631% (0.19 0.02 0.02) = 1.263% kept QG2 VAL 125 - QD1 LEU 90 3.571% * 1.1843% (0.18 0.02 0.02) = 1.184% kept QG1 VAL 40 - QD1 LEU 90 3.571% * 1.1054% (0.17 0.02 0.02) = 1.105% kept HG LEU 74 - QD1 LEU 90 3.571% * 1.0693% (0.16 0.02 0.02) = 1.069% kept QG1 VAL 80 - QD1 LEU 17 3.571% * 0.7464% (0.11 0.02 0.02) = 0.746% QD1 LEU 67 - QD1 LEU 17 3.571% * 0.7252% (0.11 0.02 0.02) = 0.725% QG2 VAL 87 - QD1 LEU 17 3.571% * 0.7014% (0.11 0.02 0.02) = 0.701% HG13 ILE 68 - QD1 LEU 17 3.571% * 0.6754% (0.10 0.02 0.02) = 0.675% QG1 VAL 122 - QD1 LEU 17 3.571% * 0.6475% (0.10 0.02 0.02) = 0.647% QG2 VAL 122 - QD1 LEU 90 3.571% * 0.6026% (0.09 0.02 0.02) = 0.603% QG2 VAL 73 - QD1 LEU 90 3.571% * 0.5429% (0.08 0.02 0.02) = 0.543% QG2 VAL 47 - QD1 LEU 17 3.571% * 0.5231% (0.08 0.02 0.02) = 0.523% QG2 VAL 125 - QD1 LEU 17 3.571% * 0.4904% (0.07 0.02 0.02) = 0.490% QG2 VAL 99 - QD1 LEU 90 3.571% * 0.4869% (0.07 0.02 0.02) = 0.487% QG1 VAL 40 - QD1 LEU 17 3.571% * 0.4578% (0.07 0.02 0.02) = 0.458% QG2 VAL 122 - QD1 LEU 17 3.571% * 0.2496% (0.04 0.02 0.02) = 0.250% QG2 VAL 73 - QD1 LEU 17 3.571% * 0.2248% (0.03 0.02 0.32) = 0.225% QG2 VAL 99 - QD1 LEU 17 3.571% * 0.2016% (0.03 0.02 0.02) = 0.202% 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 = 0.09, support = 3.38, residual support = 53.9: O HN ILE 48 - HA ILE 48 7.143% * 45.2650% (0.03 10.0 5.47 110.84) = 45.265% kept HN VAL 47 - HA ILE 48 7.143% * 29.5765% (0.14 1.0 2.68 12.14) = 29.576% kept QD PHE 34 - HA ILE 48 7.143% * 6.7929% (0.15 1.0 0.60 0.56) = 6.793% kept HZ2 TRP 51 - HA ILE 48 7.143% * 5.1545% (0.12 1.0 0.56 1.20) = 5.154% kept HN ARG+ 84 - HA ILE 48 7.143% * 4.7924% (0.14 1.0 0.44 0.31) = 4.792% kept QE PHE 34 - HA ILE 48 7.143% * 4.0974% (0.12 1.0 0.45 0.56) = 4.097% kept HN ARG+ 84 - HB2 SER 69 7.143% * 1.9762% (0.29 1.0 0.09 0.02) = 1.976% kept QD PHE 34 - HB2 SER 69 7.143% * 0.4703% (0.31 1.0 0.02 0.02) = 0.470% HN VAL 47 - HB2 SER 69 7.143% * 0.4579% (0.30 1.0 0.02 0.02) = 0.458% HZ2 TRP 51 - HB2 SER 69 7.143% * 0.3800% (0.25 1.0 0.02 0.02) = 0.380% QE PHE 34 - HB2 SER 69 7.143% * 0.3800% (0.25 1.0 0.02 0.02) = 0.380% HZ PHE 34 - HB2 SER 69 7.143% * 0.3800% (0.25 1.0 0.02 0.02) = 0.380% HZ PHE 34 - HA ILE 48 7.143% * 0.1832% (0.12 1.0 0.02 0.56) = 0.183% HN ILE 48 - HB2 SER 69 7.143% * 0.0939% (0.06 1.0 0.02 0.91) = 0.094% 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 = 0.861, support = 3.48, residual support = 29.6: O HN VAL 62 - HA VAL 62 25.000% * 98.2258% (0.87 10.0 3.54 30.13) = 98.226% kept HN GLU- 56 - HA VAL 62 25.000% * 1.6194% (0.62 1.0 0.46 0.25) = 1.619% kept HN PHE 34 - HA VAL 62 25.000% * 0.0795% (0.70 1.0 0.02 0.02) = 0.080% HN ILE 101 - HA VAL 62 25.000% * 0.0752% (0.66 1.0 0.02 0.02) = 0.075% Peak 3358 (0.56, 1.63, 27.60 ppm): 6 chemical-shift based assignments, quality = 0.592, support = 1.82, residual support = 22.4: O T QD1 ILE 101 - HG12 ILE 101 16.667% * 70.4276% (0.77 10.0 10.00 1.72 25.40) = 70.428% kept O HG13 ILE 101 - HG12 ILE 101 16.667% * 17.7181% (0.19 10.0 1.00 2.71 25.40) = 17.718% kept T QD1 LEU 23 - HG12 ILE 101 16.667% * 7.7823% (0.14 1.0 10.00 1.25 0.55) = 7.782% kept T QD1 LEU 23 - HG3 ARG+ 84 16.667% * 3.6495% (0.08 1.0 10.00 1.00 0.51) = 3.650% kept T QD1 ILE 101 - HG3 ARG+ 84 16.667% * 0.4121% (0.45 1.0 10.00 0.02 0.02) = 0.412% HG13 ILE 101 - HG3 ARG+ 84 16.667% * 0.0104% (0.11 1.0 1.00 0.02 0.02) = 0.010% Peak 3359 (8.01, 3.84, 64.57 ppm): 5 chemical-shift based assignments, quality = 0.14, support = 0.02, residual support = 0.02: HN LYS+ 111 - HB2 SER 85 20.000% * 29.4918% (0.17 0.02 0.02) = 29.492% kept HN SER 27 - HB2 SER 85 20.000% * 29.4918% (0.17 0.02 0.02) = 29.492% kept HN MET 126 - HB2 SER 85 20.000% * 22.5886% (0.13 0.02 0.02) = 22.589% kept HN ILE 19 - HB2 SER 85 20.000% * 13.2515% (0.08 0.02 0.02) = 13.252% kept HN LEU 43 - HB2 SER 85 20.000% * 5.1764% (0.03 0.02 0.02) = 5.176% kept Not enough support, support cutoff is 0.22 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 = 0.629, support = 0.9, residual support = 5.8: HG12 ILE 29 - QD1 LEU 23 10.000% * 42.1902% (0.72 1.27 8.51) = 42.190% kept QG2 ILE 29 - QD1 LEU 23 10.000% * 25.4089% (0.71 0.77 8.51) = 25.409% kept QD1 LEU 17 - QD1 LEU 23 10.000% * 14.2164% (0.58 0.53 0.02) = 14.216% kept QG2 VAL 99 - QD1 LEU 23 10.000% * 9.1024% (0.22 0.89 0.46) = 9.102% kept HG LEU 74 - QD1 LEU 23 10.000% * 3.8193% (0.49 0.17 0.02) = 3.819% kept HG12 ILE 68 - QD1 LEU 23 10.000% * 3.2312% (0.71 0.10 0.02) = 3.231% kept QG2 VAL 62 - QD1 LEU 23 10.000% * 0.6641% (0.72 0.02 0.02) = 0.664% HG3 LYS+ 63 - QD1 LEU 23 10.000% * 0.6282% (0.68 0.02 0.02) = 0.628% QG1 VAL 105 - QD1 LEU 23 10.000% * 0.5547% (0.60 0.02 0.02) = 0.555% QG2 VAL 73 - QD1 LEU 23 10.000% * 0.1846% (0.20 0.02 0.02) = 0.185% Peak 3372 (1.64, 0.59, 22.78 ppm): 11 chemical-shift based assignments, quality = 0.542, support = 1.82, residual support = 20.8: O HG LEU 23 - QD1 LEU 23 9.091% * 51.5377% (0.60 10.0 1.00 2.43 39.67) = 51.538% kept T HG12 ILE 101 - QD1 LEU 23 9.091% * 29.4893% (0.55 1.0 10.00 1.25 0.55) = 29.489% kept T HG3 ARG+ 84 - QD1 LEU 23 9.091% * 12.7143% (0.30 1.0 10.00 1.00 0.51) = 12.714% kept HB3 ARG+ 22 - QD1 LEU 23 9.091% * 3.4092% (0.52 1.0 1.00 1.52 3.79) = 3.409% kept HB ILE 100 - QD1 LEU 23 9.091% * 1.5926% (0.55 1.0 1.00 0.68 0.42) = 1.593% kept HB3 MET 97 - QD1 LEU 23 9.091% * 1.1363% (0.47 1.0 1.00 0.57 0.12) = 1.136% kept HB2 LEU 67 - QD1 LEU 23 9.091% * 0.0472% (0.55 1.0 1.00 0.02 0.02) = 0.047% HG3 LYS+ 78 - QD1 LEU 23 9.091% * 0.0277% (0.32 1.0 1.00 0.02 0.02) = 0.028% HB2 HIS+ 8 - QD1 LEU 23 9.091% * 0.0254% (0.30 1.0 1.00 0.02 0.02) = 0.025% HG2 LYS+ 110 - QD1 LEU 23 9.091% * 0.0108% (0.13 1.0 1.00 0.02 0.02) = 0.011% HG3 LYS+ 110 - QD1 LEU 23 9.091% * 0.0095% (0.11 1.0 1.00 0.02 0.02) = 0.010% Peak 3373 (1.91, 0.59, 22.78 ppm): 14 chemical-shift based assignments, quality = 0.495, support = 2.5, residual support = 26.2: O T HB2 LEU 23 - QD1 LEU 23 7.143% * 57.7045% (0.58 10.0 10.00 2.92 39.67) = 57.705% kept T HB ILE 29 - QD1 LEU 23 7.143% * 37.9146% (0.38 1.0 10.00 2.06 8.51) = 37.915% kept HB3 GLN 102 - QD1 LEU 23 7.143% * 2.0043% (0.71 1.0 1.00 0.56 0.46) = 2.004% kept HB3 GLN 16 - QD1 LEU 23 7.143% * 1.7271% (0.25 1.0 1.00 1.41 1.98) = 1.727% kept HD3 LYS+ 63 - QD1 LEU 23 7.143% * 0.2706% (0.71 1.0 1.00 0.08 0.02) = 0.271% HB3 GLU- 54 - QD1 LEU 23 7.143% * 0.0706% (0.71 1.0 1.00 0.02 0.02) = 0.071% HB3 MET 118 - QD1 LEU 23 7.143% * 0.0646% (0.65 1.0 1.00 0.02 0.02) = 0.065% HB3 GLU- 56 - QD1 LEU 23 7.143% * 0.0602% (0.60 1.0 1.00 0.02 0.02) = 0.060% HB3 PRO 35 - QD1 LEU 23 7.143% * 0.0495% (0.49 1.0 1.00 0.02 0.02) = 0.050% HB3 CYS 123 - QD1 LEU 23 7.143% * 0.0495% (0.49 1.0 1.00 0.02 0.02) = 0.050% HG2 GLU- 18 - QD1 LEU 23 7.143% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB2 PRO 116 - QD1 LEU 23 7.143% * 0.0200% (0.20 1.0 1.00 0.02 1.64) = 0.020% HB2 GLU- 10 - QD1 LEU 23 7.143% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG2 PRO 112 - QD1 LEU 23 7.143% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 3374 (2.18, 0.59, 22.78 ppm): 11 chemical-shift based assignments, quality = 0.604, support = 1.3, residual support = 1.46: T HG2 GLN 16 - QD1 LEU 23 9.091% * 45.9676% (0.71 10.00 1.74 1.98) = 45.968% kept T HG3 GLN 16 - QD1 LEU 23 9.091% * 22.8916% (0.47 10.00 1.31 1.98) = 22.892% kept T HG2 GLN 102 - QD1 LEU 23 9.091% * 17.4745% (0.62 10.00 0.75 0.46) = 17.474% kept T HG2 MET 126 - QD1 LEU 23 9.091% * 9.1238% (0.52 10.00 0.47 0.02) = 9.124% kept HB2 ASP- 82 - QD1 LEU 23 9.091% * 2.4317% (0.65 1.00 1.00 0.63) = 2.432% kept HA1 GLY 58 - QD1 LEU 23 9.091% * 0.8606% (0.22 1.00 1.06 2.08) = 0.861% HB3 PRO 104 - QD1 LEU 23 9.091% * 0.7159% (0.71 1.00 0.27 0.02) = 0.716% HB2 LYS+ 113 - QD1 LEU 23 9.091% * 0.4755% (0.38 1.00 0.33 0.68) = 0.476% HG2 PRO 104 - QD1 LEU 23 9.091% * 0.0222% (0.30 1.00 0.02 0.02) = 0.022% HG3 GLU- 54 - QD1 LEU 23 9.091% * 0.0203% (0.27 1.00 0.02 0.02) = 0.020% HB3 GLU- 75 - QD1 LEU 23 9.091% * 0.0163% (0.22 1.00 0.02 0.02) = 0.016% Peak 3375 (2.76, 0.59, 22.78 ppm): 9 chemical-shift based assignments, quality = 0.549, support = 1.26, residual support = 2.41: HB3 ASN 15 - QD1 LEU 23 11.111% * 41.5171% (0.60 1.44 2.43) = 41.517% kept HA1 GLY 58 - QD1 LEU 23 11.111% * 33.9694% (0.67 1.06 2.08) = 33.969% kept HB3 ASP- 115 - QD1 LEU 23 11.111% * 14.6762% (0.16 1.91 4.76) = 14.676% kept HB2 HIS+ 5 - QD1 LEU 23 11.111% * 7.1139% (0.62 0.24 0.02) = 7.114% kept HB3 ASN 57 - QD1 LEU 23 11.111% * 1.7808% (0.18 0.21 0.02) = 1.781% kept HE3 LYS+ 20 - QD1 LEU 23 11.111% * 0.4183% (0.44 0.02 0.17) = 0.418% HB3 PHE 21 - QD1 LEU 23 11.111% * 0.2588% (0.27 0.02 0.02) = 0.259% HB2 ASN 119 - QD1 LEU 23 11.111% * 0.1720% (0.18 0.02 0.02) = 0.172% HB3 ASN 89 - QD1 LEU 23 11.111% * 0.0933% (0.10 0.02 0.27) = 0.093% Peak 3376 (4.79, 0.59, 22.78 ppm): 7 chemical-shift based assignments, quality = 0.486, support = 1.83, residual support = 2.33: HA ASN 15 - QD1 LEU 23 14.286% * 31.5993% (0.49 2.43 2.43) = 31.599% kept HA PRO 116 - QD1 LEU 23 14.286% * 23.1983% (0.52 1.69 1.64) = 23.198% kept HA ASP- 115 - QD1 LEU 23 14.286% * 22.3378% (0.41 2.09 4.76) = 22.338% kept HA LYS+ 113 - QD1 LEU 23 14.286% * 16.0620% (0.66 0.92 0.68) = 16.062% kept HA ASN 89 - QD1 LEU 23 14.286% * 5.0380% (0.18 1.08 0.27) = 5.038% kept HA MET 97 - QD1 LEU 23 14.286% * 1.0929% (0.11 0.37 0.12) = 1.093% kept HA GLU- 107 - QD1 LEU 23 14.286% * 0.6717% (0.32 0.08 0.02) = 0.672% Peak 3377 (6.72, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.367, support = 2.74, residual support = 14.7: HZ3 TRP 51 - QD1 LEU 23 50.000% * 65.4452% (0.27 3.68 22.08) = 65.445% kept QE TYR 83 - QD1 LEU 23 50.000% * 34.5548% (0.55 0.95 0.74) = 34.555% kept Peak 3378 (7.19, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.611, support = 3.79, residual support = 22.1: HH2 TRP 51 - QD1 LEU 23 50.000% * 76.7567% (0.68 4.24 22.08) = 76.757% kept HN TRP 51 - QD1 LEU 23 50.000% * 23.2433% (0.38 2.31 22.08) = 23.243% kept Peak 3379 (2.93, 0.59, 22.78 ppm): 3 chemical-shift based assignments, quality = 0.589, support = 0.71, residual support = 1.08: HA1 GLY 58 - QD1 LEU 23 33.333% * 46.6281% (0.46 1.06 2.08) = 46.628% kept HE3 LYS+ 60 - QD1 LEU 23 33.333% * 30.8767% (0.70 0.46 0.27) = 30.877% kept HG3 MET 97 - QD1 LEU 23 33.333% * 22.4952% (0.71 0.33 0.12) = 22.495% kept Peak 3380 (7.35, 0.59, 22.78 ppm): 6 chemical-shift based assignments, quality = 0.374, support = 1.96, residual support = 13.1: HZ2 TRP 51 - QD1 LEU 23 16.667% * 59.0661% (0.38 2.86 22.08) = 59.066% kept QE PHE 34 - QD1 LEU 23 16.667% * 18.6789% (0.38 0.90 0.16) = 18.679% kept HE22 GLN 102 - QD1 LEU 23 16.667% * 11.5319% (0.44 0.48 0.46) = 11.532% kept HZ PHE 34 - QD1 LEU 23 16.667% * 6.4984% (0.38 0.31 0.16) = 6.498% kept QD PHE 34 - QD1 LEU 23 16.667% * 3.8115% (0.11 0.63 0.16) = 3.812% kept HE ARG+ 53 - QD1 LEU 23 16.667% * 0.4132% (0.38 0.02 0.02) = 0.413% Peak 3381 (7.51, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.485, support = 1.83, residual support = 17.1: HE3 TRP 51 - QD1 LEU 23 50.000% * 76.7082% (0.55 2.00 22.08) = 76.708% kept HN ASP- 82 - QD1 LEU 23 50.000% * 23.2918% (0.27 1.24 0.63) = 23.292% kept Peak 3382 (9.31, 0.59, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.521, support = 3.07, residual support = 21.7: HN ILE 29 - QD1 LEU 23 50.000% * 57.7573% (0.65 2.68 8.51) = 57.757% kept HN LEU 23 - QD1 LEU 23 50.000% * 42.2427% (0.35 3.61 39.67) = 42.243% 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 = 0.12, support = 0.486, residual support = 2.37: T HG LEU 17 - QD2 LEU 90 5.000% * 82.3481% (0.11 10.00 0.56 2.76) = 82.348% kept HB3 LYS+ 32 - QD2 LEU 90 5.000% * 4.1528% (0.27 1.00 0.12 0.02) = 4.153% kept HB ILE 19 - QD2 LEU 90 5.000% * 3.4200% (0.12 1.00 0.21 0.02) = 3.420% kept HB3 LEU 17 - QD2 LEU 90 5.000% * 3.3777% (0.16 1.00 0.16 2.76) = 3.378% kept HD3 LYS+ 32 - QD2 LEU 90 5.000% * 2.7789% (0.20 1.00 0.11 0.02) = 2.779% kept HG3 LYS+ 110 - QD2 LEU 90 5.000% * 2.0582% (0.12 1.00 0.13 0.02) = 2.058% kept HG3 LYS+ 60 - QD2 LEU 90 5.000% * 0.3466% (0.13 1.00 0.02 0.02) = 0.347% HG2 LYS+ 110 - QD2 LEU 90 5.000% * 0.2927% (0.11 1.00 0.02 0.02) = 0.293% HD3 LYS+ 60 - QD2 LEU 90 5.000% * 0.2429% (0.09 1.00 0.02 0.02) = 0.243% HB3 LYS+ 32 - QG1 VAL 122 5.000% * 0.1729% (0.07 1.00 0.02 0.02) = 0.173% HD3 LYS+ 32 - QG1 VAL 122 5.000% * 0.1259% (0.05 1.00 0.02 0.02) = 0.126% HG3 LYS+ 78 - QD2 LEU 90 5.000% * 0.1099% (0.04 1.00 0.02 0.02) = 0.110% HB3 LEU 17 - QG1 VAL 122 5.000% * 0.1051% (0.04 1.00 0.02 0.02) = 0.105% HG3 LYS+ 60 - QG1 VAL 122 5.000% * 0.0844% (0.03 1.00 0.02 0.02) = 0.084% HG3 LYS+ 110 - QG1 VAL 122 5.000% * 0.0777% (0.03 1.00 0.02 0.02) = 0.078% HB ILE 19 - QG1 VAL 122 5.000% * 0.0777% (0.03 1.00 0.02 0.02) = 0.078% HG2 LYS+ 110 - QG1 VAL 122 5.000% * 0.0713% (0.03 1.00 0.02 0.02) = 0.071% HG LEU 17 - QG1 VAL 122 5.000% * 0.0713% (0.03 1.00 0.02 0.02) = 0.071% HD3 LYS+ 60 - QG1 VAL 122 5.000% * 0.0591% (0.02 1.00 0.02 0.02) = 0.059% HG3 LYS+ 78 - QG1 VAL 122 5.000% * 0.0267% (0.01 1.00 0.02 0.02) = 0.027% Not enough quality. Peak unassigned. Peak 3389 (0.85, 0.85, 23.55 ppm): 28 chemical-shift based assignments, quality = 0.179, support = 0.593, residual support = 2.71: O QD1 LEU 90 - QD2 LEU 90 3.571% * 29.1017% (0.14 10.0 1.00 1.00 5.79) = 29.102% kept T HG3 LYS+ 117 - QD2 LEU 90 3.571% * 20.9927% (0.26 1.0 10.00 0.39 0.39) = 20.993% kept T QG2 VAL 13 - QD2 LEU 90 3.571% * 13.4902% (0.26 1.0 10.00 0.25 0.02) = 13.490% kept T HG2 LYS+ 117 - QD2 LEU 90 3.571% * 13.2264% (0.27 1.0 10.00 0.24 0.39) = 13.226% kept T QG1 VAL 94 - QD2 LEU 90 3.571% * 9.6185% (0.08 1.0 10.00 0.56 0.02) = 9.619% kept T QD2 LEU 17 - QD2 LEU 90 3.571% * 6.3039% (0.04 1.0 10.00 0.74 2.76) = 6.304% kept O QG2 VAL 122 - QG1 VAL 122 3.571% * 4.0595% (0.01 10.0 1.00 1.35 17.64) = 4.060% kept T QD1 ILE 29 - QD2 LEU 90 3.571% * 0.7599% (0.18 1.0 10.00 0.02 0.02) = 0.760% T QG1 VAL 13 - QD2 LEU 90 3.571% * 0.6263% (0.15 1.0 10.00 0.02 0.02) = 0.626% T HG LEU 74 - QD2 LEU 90 3.571% * 0.4567% (0.11 1.0 10.00 0.02 0.02) = 0.457% T HG2 LYS+ 117 - QG1 VAL 122 3.571% * 0.2687% (0.07 1.0 10.00 0.02 0.02) = 0.269% T HG3 LYS+ 117 - QG1 VAL 122 3.571% * 0.2639% (0.06 1.0 10.00 0.02 0.02) = 0.264% T QD1 LEU 90 - QG1 VAL 122 3.571% * 0.1417% (0.03 1.0 10.00 0.02 0.02) = 0.142% T QG2 ILE 100 - QG1 VAL 122 3.571% * 0.1311% (0.03 1.0 10.00 0.02 0.02) = 0.131% T HG LEU 74 - QG1 VAL 122 3.571% * 0.1112% (0.03 1.0 10.00 0.02 4.52) = 0.111% T HG2 LYS+ 113 - QG1 VAL 122 3.571% * 0.1011% (0.02 1.0 10.00 0.02 0.02) = 0.101% HB ILE 101 - QD2 LEU 90 3.571% * 0.0992% (0.24 1.0 1.00 0.02 0.02) = 0.099% QG2 ILE 100 - QD2 LEU 90 3.571% * 0.0538% (0.13 1.0 1.00 0.02 0.02) = 0.054% HG2 LYS+ 113 - QD2 LEU 90 3.571% * 0.0415% (0.10 1.0 1.00 0.02 0.02) = 0.042% QG2 VAL 13 - QG1 VAL 122 3.571% * 0.0264% (0.06 1.0 1.00 0.02 0.02) = 0.026% QG2 VAL 122 - QD2 LEU 90 3.571% * 0.0246% (0.06 1.0 1.00 0.02 0.02) = 0.025% HG3 LYS+ 113 - QD2 LEU 90 3.571% * 0.0246% (0.06 1.0 1.00 0.02 0.02) = 0.025% HB ILE 101 - QG1 VAL 122 3.571% * 0.0241% (0.06 1.0 1.00 0.02 0.02) = 0.024% QD1 ILE 29 - QG1 VAL 122 3.571% * 0.0185% (0.04 1.0 1.00 0.02 0.02) = 0.018% QG1 VAL 13 - QG1 VAL 122 3.571% * 0.0152% (0.04 1.0 1.00 0.02 0.02) = 0.015% QG1 VAL 94 - QG1 VAL 122 3.571% * 0.0083% (0.02 1.0 1.00 0.02 0.02) = 0.008% HG3 LYS+ 113 - QG1 VAL 122 3.571% * 0.0060% (0.01 1.0 1.00 0.02 0.02) = 0.006% QD2 LEU 17 - QG1 VAL 122 3.571% * 0.0042% (0.01 1.0 1.00 0.02 0.02) = 0.004% Not enough quality. Peak unassigned. Peak 3390 (3.81, 0.85, 23.55 ppm): 18 chemical-shift based assignments, quality = 0.218, support = 1.19, residual support = 8.7: HA ASN 89 - QD2 LEU 90 5.556% * 67.3127% (0.23 1.58 12.86) = 67.313% kept HD3 PRO 116 - QD2 LEU 90 5.556% * 22.9248% (0.23 0.53 0.18) = 22.925% kept HD3 PRO 112 - QD2 LEU 90 5.556% * 3.9364% (0.22 0.10 0.02) = 3.936% kept HA GLU- 45 - QD2 LEU 90 5.556% * 0.9715% (0.26 0.02 0.02) = 0.972% HB3 SER 41 - QD2 LEU 90 5.556% * 0.9565% (0.26 0.02 0.02) = 0.957% HA2 GLY 92 - QD2 LEU 90 5.556% * 0.6808% (0.18 0.02 0.63) = 0.681% HA ILE 48 - QD2 LEU 90 5.556% * 0.6537% (0.18 0.02 0.02) = 0.654% HA VAL 13 - QD2 LEU 90 5.556% * 0.5215% (0.14 0.02 0.02) = 0.521% HA LYS+ 44 - QD2 LEU 90 5.556% * 0.4047% (0.11 0.02 0.02) = 0.405% HA GLU- 45 - QG1 VAL 122 5.556% * 0.2365% (0.06 0.02 0.02) = 0.236% HB3 SER 41 - QG1 VAL 122 5.556% * 0.2328% (0.06 0.02 0.02) = 0.233% HD3 PRO 116 - QG1 VAL 122 5.556% * 0.2093% (0.06 0.02 0.02) = 0.209% HA ASN 89 - QG1 VAL 122 5.556% * 0.2071% (0.06 0.02 0.02) = 0.207% HD3 PRO 112 - QG1 VAL 122 5.556% * 0.2015% (0.05 0.02 0.02) = 0.202% HA2 GLY 92 - QG1 VAL 122 5.556% * 0.1657% (0.04 0.02 0.02) = 0.166% HA ILE 48 - QG1 VAL 122 5.556% * 0.1591% (0.04 0.02 0.02) = 0.159% HA VAL 13 - QG1 VAL 122 5.556% * 0.1269% (0.03 0.02 0.02) = 0.127% HA LYS+ 44 - QG1 VAL 122 5.556% * 0.0985% (0.03 0.02 0.02) = 0.098% Peak 3391 (0.58, 0.29, 23.82 ppm): 2 chemical-shift based assignments, quality = 0.919, support = 3.0, residual support = 39.7: O QD1 LEU 23 - QD2 LEU 23 50.000% * 99.9798% (0.92 10.0 3.00 39.67) = 99.980% kept QD1 ILE 101 - QD2 LEU 23 50.000% * 0.0202% (0.19 1.0 0.02 0.55) = 0.020% Peak 3392 (2.17, 0.29, 23.82 ppm): 11 chemical-shift based assignments, quality = 0.789, support = 1.06, residual support = 1.25: HG3 GLN 16 - QD2 LEU 23 9.091% * 30.9977% (0.93 1.59 1.98) = 30.998% kept HG2 GLN 102 - QD2 LEU 23 9.091% * 15.7347% (0.88 0.85 0.46) = 15.735% kept HG2 GLN 16 - QD2 LEU 23 9.091% * 15.6483% (0.74 1.00 1.98) = 15.648% kept HB2 ASP- 82 - QD2 LEU 23 9.091% * 13.8146% (0.86 0.76 0.63) = 13.815% kept HG2 PRO 104 - QD2 LEU 23 9.091% * 9.1636% (0.83 0.52 0.02) = 9.164% kept HA1 GLY 58 - QD2 LEU 23 9.091% * 7.5061% (0.26 1.36 2.08) = 7.506% kept HB3 PRO 104 - QD2 LEU 23 9.091% * 3.8072% (0.71 0.25 0.02) = 3.807% kept HG2 MET 126 - QD2 LEU 23 9.091% * 1.7462% (0.23 0.36 0.02) = 1.746% kept HG3 GLN 102 - QD2 LEU 23 9.091% * 1.2973% (0.13 0.49 0.46) = 1.297% kept HB3 GLU- 75 - QD2 LEU 23 9.091% * 0.1635% (0.39 0.02 0.02) = 0.163% HB3 LYS+ 78 - QD2 LEU 23 9.091% * 0.1208% (0.29 0.02 0.02) = 0.121% Peak 3393 (2.76, 0.29, 23.82 ppm): 9 chemical-shift based assignments, quality = 0.459, support = 1.56, residual support = 3.43: T HB3 ASP- 115 - QD2 LEU 23 11.111% * 52.4990% (0.16 10.00 1.84 4.76) = 52.499% kept HB3 ASN 15 - QD2 LEU 23 11.111% * 20.6715% (0.83 1.00 1.42 2.43) = 20.672% kept HA1 GLY 58 - QD2 LEU 23 11.111% * 20.6169% (0.86 1.00 1.36 2.08) = 20.617% kept HB2 HIS+ 5 - QD2 LEU 23 11.111% * 2.7275% (0.74 1.00 0.21 0.02) = 2.728% kept HB3 ASN 89 - QD2 LEU 23 11.111% * 2.1389% (0.16 1.00 0.75 0.27) = 2.139% kept HB3 ASN 57 - QD2 LEU 23 11.111% * 0.9738% (0.29 1.00 0.19 0.02) = 0.974% HE3 LYS+ 20 - QD2 LEU 23 11.111% * 0.1713% (0.49 1.00 0.02 0.17) = 0.171% HB3 PHE 21 - QD2 LEU 23 11.111% * 0.1005% (0.29 1.00 0.02 0.02) = 0.101% HB2 ASN 119 - QD2 LEU 23 11.111% * 0.1005% (0.29 1.00 0.02 0.02) = 0.101% Peak 3394 (2.91, 0.29, 23.82 ppm): 4 chemical-shift based assignments, quality = 0.611, support = 0.983, residual support = 1.04: HA1 GLY 58 - QD2 LEU 23 25.000% * 45.6728% (0.63 1.36 2.08) = 45.673% kept HB2 HIS+ 98 - QD2 LEU 23 25.000% * 29.1805% (0.74 0.74 0.13) = 29.181% kept HE3 LYS+ 60 - QD2 LEU 23 25.000% * 12.9222% (0.45 0.54 0.27) = 12.922% kept HG3 MET 97 - QD2 LEU 23 25.000% * 12.2244% (0.38 0.60 0.12) = 12.224% kept Peak 3395 (3.26, 0.29, 23.82 ppm): 4 chemical-shift based assignments, quality = 0.306, support = 2.89, residual support = 37.0: HA LEU 23 - QD2 LEU 23 25.000% * 93.3304% (0.32 3.08 39.67) = 93.330% kept HA ASN 89 - QD2 LEU 23 25.000% * 5.7327% (0.18 0.33 0.27) = 5.733% kept HE3 LYS+ 63 - QD2 LEU 23 25.000% * 0.4939% (0.26 0.02 0.02) = 0.494% HD3 ARG+ 53 - QD2 LEU 23 25.000% * 0.4429% (0.23 0.02 0.02) = 0.443% Peak 3396 (3.72, 0.29, 23.82 ppm): 5 chemical-shift based assignments, quality = 0.639, support = 0.342, residual support = 0.119: HB2 HIS+ 4 - QD2 LEU 23 20.000% * 46.8672% (0.67 0.41 0.02) = 46.867% kept HA ASN 89 - QD2 LEU 23 20.000% * 39.5014% (0.69 0.33 0.27) = 39.501% kept HD3 PRO 104 - QD2 LEU 23 20.000% * 5.7654% (0.13 0.27 0.02) = 5.765% kept HA LEU 43 - QD2 LEU 23 20.000% * 4.7462% (0.32 0.09 0.02) = 4.746% kept HA ILE 48 - QD2 LEU 23 20.000% * 3.1198% (0.91 0.02 0.02) = 3.120% kept Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 3397 (3.85, 0.29, 23.82 ppm): 10 chemical-shift based assignments, quality = 0.529, support = 0.442, residual support = 0.498: HA ASN 89 - QD2 LEU 23 10.000% * 27.2271% (0.83 0.33 0.27) = 27.227% kept HD3 PRO 116 - QD2 LEU 23 10.000% * 20.8729% (0.21 1.03 1.64) = 20.873% kept HA VAL 13 - QD2 LEU 23 10.000% * 18.3333% (0.49 0.38 0.42) = 18.333% kept HB3 SER 88 - QD2 LEU 23 10.000% * 15.1444% (0.60 0.26 0.02) = 15.144% kept HA LYS+ 44 - QD2 LEU 23 10.000% * 10.3659% (0.52 0.20 0.02) = 10.366% kept HB2 SER 85 - QD2 LEU 23 10.000% * 3.6952% (0.23 0.16 0.02) = 3.695% kept HD3 PRO 86 - QD2 LEU 23 10.000% * 1.7875% (0.91 0.02 0.02) = 1.787% kept HA VAL 87 - QD2 LEU 23 10.000% * 0.9594% (0.49 0.02 0.02) = 0.959% HA ILE 48 - QD2 LEU 23 10.000% * 0.9299% (0.47 0.02 0.02) = 0.930% HA2 GLY 92 - QD2 LEU 23 10.000% * 0.6844% (0.35 0.02 0.02) = 0.684% Peak 3398 (4.35, 0.29, 23.82 ppm): 13 chemical-shift based assignments, quality = 0.697, support = 0.251, residual support = 0.0805: HA ASN 89 - QD2 LEU 23 7.692% * 22.4821% (0.75 0.33 0.27) = 22.482% kept HA1 GLY 26 - QD2 LEU 23 7.692% * 18.1200% (0.81 0.25 0.02) = 18.120% kept HA HIS+ 3 - QD2 LEU 23 7.692% * 16.5365% (0.88 0.21 0.02) = 16.536% kept HB3 HIS+ 4 - QD2 LEU 23 7.692% * 13.9723% (0.38 0.41 0.02) = 13.972% kept HA LYS+ 117 - QD2 LEU 23 7.692% * 11.5954% (0.60 0.21 0.02) = 11.595% kept HB THR 61 - QD2 LEU 23 7.692% * 8.6557% (0.86 0.11 0.02) = 8.656% kept HA LYS+ 60 - QD2 LEU 23 7.692% * 1.6421% (0.16 0.11 0.27) = 1.642% kept HA VAL 73 - QD2 LEU 23 7.692% * 1.6353% (0.91 0.02 0.02) = 1.635% kept HA VAL 94 - QD2 LEU 23 7.692% * 1.4499% (0.81 0.02 0.02) = 1.450% kept HA PRO 112 - QD2 LEU 23 7.692% * 1.3373% (0.14 0.10 0.02) = 1.337% kept HA MET 1 - QD2 LEU 23 7.692% * 1.2774% (0.71 0.02 0.02) = 1.277% kept HA2 GLY 26 - QD2 LEU 23 7.692% * 0.8794% (0.49 0.02 0.02) = 0.879% HA THR 38 - QD2 LEU 23 7.692% * 0.4168% (0.23 0.02 0.02) = 0.417% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 3399 (7.33, 0.29, 23.82 ppm): 6 chemical-shift based assignments, quality = 0.873, support = 1.99, residual support = 13.1: HZ2 TRP 51 - QD2 LEU 23 16.667% * 58.9086% (0.93 2.89 22.08) = 58.909% kept HZ PHE 34 - QD2 LEU 23 16.667% * 18.3970% (0.93 0.90 0.16) = 18.397% kept HN ARG+ 84 - QD2 LEU 23 16.667% * 9.6456% (0.56 0.78 0.51) = 9.646% kept QE PHE 34 - QD2 LEU 23 16.667% * 6.4003% (0.93 0.31 0.16) = 6.400% kept QD PHE 34 - QD2 LEU 23 16.667% * 5.3783% (0.67 0.36 0.16) = 5.378% kept HN VAL 47 - QD2 LEU 23 16.667% * 1.2701% (0.60 0.10 0.02) = 1.270% kept Peak 3400 (7.20, 0.29, 23.82 ppm): 2 chemical-shift based assignments, quality = 0.856, support = 3.02, residual support = 22.1: HH2 TRP 51 - QD2 LEU 23 50.000% * 80.7256% (0.92 3.44 22.08) = 80.726% kept HN TRP 51 - QD2 LEU 23 50.000% * 19.2744% (0.60 1.26 22.08) = 19.274% kept Peak 3401 (6.74, 0.29, 23.82 ppm): 2 chemical-shift based assignments, quality = 0.876, support = 2.06, residual support = 16.0: HZ3 TRP 51 - QD2 LEU 23 50.000% * 71.5629% (0.88 2.49 22.08) = 71.563% kept QE TYR 83 - QD2 LEU 23 50.000% * 28.4371% (0.88 0.99 0.74) = 28.437% 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): 15 chemical-shift based assignments, quality = 0.106, support = 0.0393, residual support = 0.02: HA1 GLY 58 - HB3 SER 69 6.667% * 19.1780% (0.05 0.12 0.02) = 19.178% kept HG3 MET 118 - HB3 SER 69 6.667% * 8.6139% (0.15 0.02 0.02) = 8.614% kept HB3 PRO 52 - HB3 SER 69 6.667% * 8.4433% (0.14 0.02 0.02) = 8.443% kept HG3 GLU- 18 - HB3 SER 69 6.667% * 8.3130% (0.14 0.02 0.02) = 8.313% kept HG3 GLU- 107 - HB3 SER 69 6.667% * 8.1484% (0.14 0.02 0.02) = 8.148% kept HB2 GLU- 50 - HB3 SER 69 6.667% * 7.9516% (0.14 0.02 0.02) = 7.952% kept HG3 GLU- 75 - HB3 SER 69 6.667% * 7.1949% (0.12 0.02 0.02) = 7.195% kept HG3 GLU- 109 - HB3 SER 69 6.667% * 7.1949% (0.12 0.02 0.02) = 7.195% kept HG3 MET 126 - HB3 SER 69 6.667% * 6.5830% (0.11 0.02 0.02) = 6.583% kept HG3 GLU- 10 - HB3 SER 69 6.667% * 4.8768% (0.08 0.02 0.02) = 4.877% kept HG2 GLU- 56 - HB3 SER 69 6.667% * 4.5320% (0.08 0.02 0.02) = 4.532% kept HG3 GLU- 54 - HB3 SER 69 6.667% * 3.5413% (0.06 0.02 0.02) = 3.541% kept HB2 LYS+ 113 - HB3 SER 69 6.667% * 2.3950% (0.04 0.02 0.02) = 2.395% kept HB VAL 80 - HB3 SER 69 6.667% * 1.7047% (0.03 0.02 0.02) = 1.705% kept HG2 MET 126 - HB3 SER 69 6.667% * 1.3291% (0.02 0.02 0.02) = 1.329% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3410 (1.67, 3.54, 65.47 ppm): 7 chemical-shift based assignments, quality = 0.105, support = 0.02, residual support = 0.02: HB3 MET 126 - HB3 SER 69 14.286% * 22.3803% (0.14 0.02 0.02) = 22.380% kept HD3 LYS+ 55 - HB3 SER 69 14.286% * 19.7616% (0.12 0.02 0.02) = 19.762% kept HB VAL 99 - HB3 SER 69 14.286% * 19.7616% (0.12 0.02 0.02) = 19.762% kept HG3 ARG+ 84 - HB3 SER 69 14.286% * 12.4475% (0.08 0.02 0.02) = 12.447% kept HB2 HIS+ 8 - HB3 SER 69 14.286% * 12.4475% (0.08 0.02 0.02) = 12.447% kept HB3 MET 97 - HB3 SER 69 14.286% * 7.3023% (0.05 0.02 0.02) = 7.302% kept HB3 ARG+ 22 - HB3 SER 69 14.286% * 5.8994% (0.04 0.02 0.02) = 5.899% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3411 (0.45, 3.54, 65.47 ppm): 3 chemical-shift based assignments, quality = 0.146, support = 1.04, residual support = 3.01: QG2 ILE 68 - HB3 SER 69 33.333% * 54.2165% (0.15 1.15 4.08) = 54.217% kept QD2 LEU 74 - HB3 SER 69 33.333% * 44.2717% (0.15 0.93 1.80) = 44.272% kept QD2 LEU 43 - HB3 SER 69 33.333% * 1.5118% (0.06 0.08 0.10) = 1.512% 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 = 1.8: QD1 LEU 74 - HB3 SER 69 100.000% *100.0000% (0.03 0.02 1.80) = 100.000% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3413 (0.91, 3.43, 65.93 ppm): 14 chemical-shift based assignments, quality = 0.112, support = 2.22, residual support = 6.65: HG LEU 74 - HA ILE 48 7.143% * 37.8319% (0.10 3.56 5.70) = 37.832% kept QG1 VAL 47 - HA ILE 48 7.143% * 29.8064% (0.14 1.98 12.14) = 29.806% kept QG2 VAL 105 - HA ILE 48 7.143% * 9.5277% (0.13 0.66 0.02) = 9.528% kept HG13 ILE 68 - HA ILE 48 7.143% * 8.1132% (0.16 0.48 0.02) = 8.113% kept QG2 VAL 47 - HA ILE 48 7.143% * 7.0839% (0.03 2.24 12.14) = 7.084% kept QG2 VAL 73 - HA ILE 48 7.143% * 3.3317% (0.13 0.23 0.36) = 3.332% kept QG1 VAL 105 - HA ILE 48 7.143% * 2.9670% (0.04 0.66 0.02) = 2.967% kept QG2 VAL 87 - HA ILE 48 7.143% * 0.3333% (0.15 0.02 0.02) = 0.333% QD1 LEU 67 - HA ILE 48 7.143% * 0.3238% (0.15 0.02 6.79) = 0.324% QG2 VAL 99 - HA ILE 48 7.143% * 0.2760% (0.13 0.02 0.02) = 0.276% QG1 VAL 80 - HA ILE 48 7.143% * 0.1485% (0.07 0.02 0.02) = 0.148% QG1 VAL 122 - HA ILE 48 7.143% * 0.1004% (0.05 0.02 0.02) = 0.100% QD1 LEU 17 - HA ILE 48 7.143% * 0.1004% (0.05 0.02 0.02) = 0.100% QG2 VAL 125 - HA ILE 48 7.143% * 0.0557% (0.03 0.02 0.02) = 0.056% Peak 3414 (0.39, 3.43, 65.93 ppm): 3 chemical-shift based assignments, quality = 0.148, support = 3.84, residual support = 110.8: T QD1 ILE 48 - HA ILE 48 33.333% * 42.5895% (0.16 1.0 10.00 3.58 110.84) = 42.589% kept O HG12 ILE 48 - HA ILE 48 33.333% * 42.5895% (0.16 10.0 1.00 3.84 110.84) = 42.589% kept O HG13 ILE 48 - HA ILE 48 33.333% * 14.8211% (0.06 10.0 1.00 4.62 110.84) = 14.821% kept Peak 3415 (1.73, 3.43, 65.83 ppm): 10 chemical-shift based assignments, quality = 0.136, support = 5.56, residual support = 102.0: O HB ILE 48 - HA ILE 48 10.000% * 91.9839% (0.14 10.0 5.91 110.84) = 91.984% kept HB3 GLU- 50 - HA ILE 48 10.000% * 7.4331% (0.14 1.0 1.62 0.33) = 7.433% kept HB ILE 48 - HB2 SER 69 10.000% * 0.1521% (0.23 1.0 0.02 0.91) = 0.152% HB3 GLU- 50 - HB2 SER 69 10.000% * 0.1521% (0.23 1.0 0.02 0.02) = 0.152% HB2 GLN 16 - HB2 SER 69 10.000% * 0.1260% (0.19 1.0 0.02 0.02) = 0.126% HB2 GLN 16 - HA ILE 48 10.000% * 0.0762% (0.11 1.0 0.02 0.02) = 0.076% HB VAL 94 - HB2 SER 69 10.000% * 0.0254% (0.04 1.0 0.02 0.12) = 0.025% HB2 HIS+ 7 - HB2 SER 69 10.000% * 0.0223% (0.03 1.0 0.02 0.02) = 0.022% HB VAL 94 - HA ILE 48 10.000% * 0.0154% (0.02 1.0 0.02 0.02) = 0.015% HB2 HIS+ 7 - HA ILE 48 10.000% * 0.0135% (0.02 1.0 0.02 0.02) = 0.013% Peak 3416 (7.34, 1.13, 24.84 ppm): 6 chemical-shift based assignments, quality = 0.645, support = 2.85, residual support = 16.0: HZ PHE 34 - HG3 LYS+ 32 16.667% * 37.3752% (0.71 3.69 18.96) = 37.375% kept QE PHE 34 - HG3 LYS+ 32 16.667% * 27.6192% (0.71 2.72 18.96) = 27.619% kept QD PHE 34 - HG3 LYS+ 32 16.667% * 19.4904% (0.46 2.94 18.96) = 19.490% kept HZ2 TRP 51 - HG3 LYS+ 32 16.667% * 10.0009% (0.71 0.99 0.26) = 10.001% kept HN VAL 47 - HG3 LYS+ 32 16.667% * 5.4066% (0.41 0.93 0.02) = 5.407% kept HN ARG+ 84 - HG3 LYS+ 32 16.667% * 0.1077% (0.38 0.02 0.02) = 0.108% Peak 3417 (8.23, 1.13, 24.84 ppm): 13 chemical-shift based assignments, quality = 0.676, support = 0.886, residual support = 0.505: HN SER 49 - HG3 LYS+ 32 7.692% * 52.6162% (0.70 1.40 0.75) = 52.616% kept HN GLY 58 - HG3 LYS+ 32 7.692% * 15.9161% (0.71 0.42 0.66) = 15.916% kept HN MET 118 - HG3 LYS+ 32 7.692% * 14.3973% (0.70 0.38 0.02) = 14.397% kept HN LYS+ 81 - HG3 LYS+ 32 7.692% * 9.1222% (0.69 0.25 0.02) = 9.122% kept HN LEU 67 - HG3 LYS+ 32 7.692% * 3.9601% (0.69 0.11 0.02) = 3.960% kept HN GLN 16 - HG3 LYS+ 32 7.692% * 1.4118% (0.11 0.24 0.02) = 1.412% kept HN GLU- 12 - HG3 LYS+ 32 7.692% * 0.6892% (0.64 0.02 0.02) = 0.689% HN VAL 94 - HG3 LYS+ 32 7.692% * 0.4043% (0.38 0.02 0.02) = 0.404% HN VAL 105 - HG3 LYS+ 32 7.692% * 0.3740% (0.35 0.02 0.02) = 0.374% HN THR 106 - HG3 LYS+ 32 7.692% * 0.3445% (0.32 0.02 0.02) = 0.345% HN ASP- 115 - HG3 LYS+ 32 7.692% * 0.2884% (0.27 0.02 0.11) = 0.288% HN ALA 11 - HG3 LYS+ 32 7.692% * 0.2621% (0.24 0.02 0.02) = 0.262% HN GLU- 45 - HG3 LYS+ 32 7.692% * 0.2137% (0.20 0.02 0.02) = 0.214% Peak 3418 (7.97, 1.48, 24.80 ppm): 2 chemical-shift based assignments, quality = 0.187, support = 4.75, residual support = 33.1: HN LYS+ 72 - HG3 LYS+ 72 50.000% * 98.3341% (0.19 4.83 33.70) = 98.334% kept HN LEU 43 - HG3 LYS+ 72 50.000% * 1.6659% (0.15 0.10 0.02) = 1.666% kept 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 = 1.0, residual support = 0.266: HD3 ARG+ 84 - QD2 LEU 17 6.667% * 82.1629% (0.98 1.17 0.13) = 82.163% kept HB3 PHE 34 - QD2 LEU 17 6.667% * 7.4131% (0.95 0.11 1.67) = 7.413% kept HA1 GLY 58 - QD2 LEU 17 6.667% * 5.6389% (0.21 0.38 0.57) = 5.639% kept HD3 PRO 35 - QD2 LEU 17 6.667% * 3.9679% (0.41 0.14 0.16) = 3.968% kept HD2 ARG+ 53 - QD2 LEU 17 6.667% * 0.3967% (0.28 0.02 0.02) = 0.397% HD3 ARG+ 84 - HG2 LYS+ 117 6.667% * 0.0839% (0.06 0.02 0.02) = 0.084% HB3 PHE 34 - HG2 LYS+ 117 6.667% * 0.0810% (0.06 0.02 0.02) = 0.081% HD3 ARG+ 84 - HG3 LYS+ 117 6.667% * 0.0622% (0.04 0.02 0.02) = 0.062% HB3 PHE 34 - HG3 LYS+ 117 6.667% * 0.0600% (0.04 0.02 0.02) = 0.060% HD3 PRO 35 - HG2 LYS+ 117 6.667% * 0.0352% (0.02 0.02 0.02) = 0.035% HD3 PRO 35 - HG3 LYS+ 117 6.667% * 0.0261% (0.02 0.02 0.02) = 0.026% HD2 ARG+ 53 - HG2 LYS+ 117 6.667% * 0.0238% (0.02 0.02 0.02) = 0.024% HD2 ARG+ 53 - HG3 LYS+ 117 6.667% * 0.0176% (0.01 0.02 0.02) = 0.018% HA1 GLY 58 - HG2 LYS+ 117 6.667% * 0.0176% (0.01 0.02 0.02) = 0.018% HA1 GLY 58 - HG3 LYS+ 117 6.667% * 0.0130% (0.01 0.02 0.02) = 0.013% Peak 3423 (3.98, 0.82, 25.69 ppm): 24 chemical-shift based assignments, quality = 0.845, support = 1.28, residual support = 2.11: HA ASN 89 - QD2 LEU 17 4.167% * 72.4351% (0.99 1.62 2.91) = 72.435% kept HB3 HIS+ 5 - QD2 LEU 17 4.167% * 7.4552% (0.57 0.29 0.02) = 7.455% kept HA ALA 93 - QD2 LEU 17 4.167% * 4.5744% (0.38 0.27 0.02) = 4.574% kept HA1 GLY 92 - QD2 LEU 17 4.167% * 3.6921% (0.95 0.09 0.02) = 3.692% kept HB THR 95 - QD2 LEU 17 4.167% * 3.6460% (0.95 0.08 0.02) = 3.646% kept HA ASN 89 - HG3 LYS+ 117 4.167% * 3.0332% (0.04 1.53 0.02) = 3.033% kept HA ASN 89 - HG2 LYS+ 117 4.167% * 2.3679% (0.06 0.88 0.02) = 2.368% kept HA LYS+ 44 - QD2 LEU 17 4.167% * 0.9066% (1.00 0.02 0.02) = 0.907% HB3 SER 77 - QD2 LEU 17 4.167% * 0.9049% (1.00 0.02 0.02) = 0.905% HB THR 39 - QD2 LEU 17 4.167% * 0.4772% (0.53 0.02 0.02) = 0.477% HA LYS+ 44 - HG2 LYS+ 117 4.167% * 0.0544% (0.06 0.02 0.02) = 0.054% HB3 SER 77 - HG2 LYS+ 117 4.167% * 0.0543% (0.06 0.02 0.02) = 0.054% HB THR 95 - HG2 LYS+ 117 4.167% * 0.0515% (0.06 0.02 0.02) = 0.051% HA1 GLY 92 - HG2 LYS+ 117 4.167% * 0.0515% (0.06 0.02 0.02) = 0.051% HA LYS+ 44 - HG3 LYS+ 117 4.167% * 0.0403% (0.04 0.02 0.02) = 0.040% HB3 SER 77 - HG3 LYS+ 117 4.167% * 0.0402% (0.04 0.02 0.02) = 0.040% HA1 GLY 92 - HG3 LYS+ 117 4.167% * 0.0381% (0.04 0.02 0.02) = 0.038% HB THR 95 - HG3 LYS+ 117 4.167% * 0.0381% (0.04 0.02 0.02) = 0.038% HB3 HIS+ 5 - HG2 LYS+ 117 4.167% * 0.0308% (0.03 0.02 0.02) = 0.031% HB THR 39 - HG2 LYS+ 117 4.167% * 0.0286% (0.03 0.02 0.68) = 0.029% HB3 HIS+ 5 - HG3 LYS+ 117 4.167% * 0.0228% (0.03 0.02 0.02) = 0.023% HB THR 39 - HG3 LYS+ 117 4.167% * 0.0212% (0.02 0.02 0.68) = 0.021% HA ALA 93 - HG2 LYS+ 117 4.167% * 0.0204% (0.02 0.02 0.02) = 0.020% HA ALA 93 - HG3 LYS+ 117 4.167% * 0.0151% (0.02 0.02 0.02) = 0.015% Peak 3424 (4.29, 0.82, 25.69 ppm): 39 chemical-shift based assignments, quality = 0.801, support = 1.36, residual support = 2.28: HA LEU 90 - QD2 LEU 17 2.564% * 36.3025% (0.97 1.90 2.76) = 36.303% kept HA ASN 89 - QD2 LEU 17 2.564% * 27.7111% (0.86 1.62 2.91) = 27.711% kept HA VAL 73 - QD2 LEU 17 2.564% * 12.2050% (0.77 0.80 0.32) = 12.205% kept HA ILE 29 - QD2 LEU 17 2.564% * 8.3428% (0.57 0.74 5.11) = 8.343% kept HA PRO 104 - QD2 LEU 17 2.564% * 5.8814% (0.87 0.34 0.02) = 5.881% kept HA ARG+ 84 - QD2 LEU 17 2.564% * 2.8701% (0.28 0.52 0.13) = 2.870% kept HA ALA 91 - QD2 LEU 17 2.564% * 1.4572% (0.41 0.18 0.11) = 1.457% kept HA SER 85 - QD2 LEU 17 2.564% * 1.2251% (0.38 0.16 0.02) = 1.225% kept HA ASN 89 - HG3 LYS+ 117 2.564% * 1.1604% (0.04 1.53 0.02) = 1.160% kept HA ASN 89 - HG2 LYS+ 117 2.564% * 0.9059% (0.05 0.88 0.02) = 0.906% HA LEU 90 - HG3 LYS+ 117 2.564% * 0.8032% (0.04 0.95 0.39) = 0.803% HA THR 106 - QD2 LEU 17 2.564% * 0.3434% (0.87 0.02 0.02) = 0.343% HA PRO 52 - QD2 LEU 17 2.564% * 0.1486% (0.38 0.02 0.02) = 0.149% HD3 PRO 59 - QD2 LEU 17 2.564% * 0.1486% (0.38 0.02 0.02) = 0.149% HA VAL 65 - QD2 LEU 17 2.564% * 0.1222% (0.31 0.02 0.02) = 0.122% HA PRO 112 - QD2 LEU 17 2.564% * 0.1222% (0.31 0.02 0.02) = 0.122% HA LEU 90 - HG2 LYS+ 117 2.564% * 0.0229% (0.06 0.02 0.39) = 0.023% HA THR 106 - HG2 LYS+ 117 2.564% * 0.0206% (0.05 0.02 0.02) = 0.021% HA PRO 104 - HG2 LYS+ 117 2.564% * 0.0206% (0.05 0.02 0.02) = 0.021% HA VAL 73 - HG2 LYS+ 117 2.564% * 0.0182% (0.05 0.02 0.02) = 0.018% HA THR 106 - HG3 LYS+ 117 2.564% * 0.0153% (0.04 0.02 0.02) = 0.015% HA PRO 104 - HG3 LYS+ 117 2.564% * 0.0153% (0.04 0.02 0.02) = 0.015% HA VAL 73 - HG3 LYS+ 117 2.564% * 0.0135% (0.03 0.02 0.02) = 0.014% HA ILE 29 - HG2 LYS+ 117 2.564% * 0.0134% (0.03 0.02 0.02) = 0.013% HA ILE 29 - HG3 LYS+ 117 2.564% * 0.0100% (0.03 0.02 0.02) = 0.010% HA ALA 91 - HG2 LYS+ 117 2.564% * 0.0098% (0.02 0.02 0.29) = 0.010% HD3 PRO 59 - HG2 LYS+ 117 2.564% * 0.0089% (0.02 0.02 0.02) = 0.009% HA SER 85 - HG2 LYS+ 117 2.564% * 0.0089% (0.02 0.02 0.02) = 0.009% HA PRO 52 - HG2 LYS+ 117 2.564% * 0.0089% (0.02 0.02 0.02) = 0.009% HA VAL 65 - HG2 LYS+ 117 2.564% * 0.0073% (0.02 0.02 0.02) = 0.007% HA PRO 112 - HG2 LYS+ 117 2.564% * 0.0073% (0.02 0.02 0.02) = 0.007% HA ALA 91 - HG3 LYS+ 117 2.564% * 0.0072% (0.02 0.02 0.29) = 0.007% HA PRO 52 - HG3 LYS+ 117 2.564% * 0.0066% (0.02 0.02 0.02) = 0.007% HA SER 85 - HG3 LYS+ 117 2.564% * 0.0066% (0.02 0.02 0.02) = 0.007% HD3 PRO 59 - HG3 LYS+ 117 2.564% * 0.0066% (0.02 0.02 0.02) = 0.007% HA ARG+ 84 - HG2 LYS+ 117 2.564% * 0.0066% (0.02 0.02 0.02) = 0.007% HA VAL 65 - HG3 LYS+ 117 2.564% * 0.0054% (0.01 0.02 0.02) = 0.005% HA PRO 112 - HG3 LYS+ 117 2.564% * 0.0054% (0.01 0.02 0.02) = 0.005% HA ARG+ 84 - HG3 LYS+ 117 2.564% * 0.0049% (0.01 0.02 0.02) = 0.005% Peak 3425 (4.54, 0.82, 25.69 ppm): 24 chemical-shift based assignments, quality = 0.672, support = 3.2, residual support = 37.5: HA LEU 17 - QD2 LEU 17 4.167% * 71.1868% (0.76 3.97 51.85) = 71.187% kept HA ASN 89 - QD2 LEU 17 4.167% * 21.0387% (0.55 1.62 2.91) = 21.039% kept HA VAL 73 - QD2 LEU 17 4.167% * 4.6612% (0.25 0.80 0.32) = 4.661% kept HA ASN 89 - HG3 LYS+ 117 4.167% * 0.8810% (0.02 1.53 0.02) = 0.881% HA ASN 89 - HG2 LYS+ 117 4.167% * 0.6877% (0.03 0.88 0.02) = 0.688% HA GLU- 10 - QD2 LEU 17 4.167% * 0.4603% (0.98 0.02 0.02) = 0.460% HA LYS+ 78 - QD2 LEU 17 4.167% * 0.4074% (0.87 0.02 0.02) = 0.407% HA THR 79 - QD2 LEU 17 4.167% * 0.3410% (0.73 0.02 0.02) = 0.341% HA LYS+ 55 - QD2 LEU 17 4.167% * 0.0725% (0.15 0.02 0.02) = 0.072% HB THR 46 - QD2 LEU 17 4.167% * 0.0725% (0.15 0.02 0.02) = 0.072% HA GLU- 10 - HG2 LYS+ 117 4.167% * 0.0276% (0.06 0.02 0.02) = 0.028% HA LYS+ 78 - HG2 LYS+ 117 4.167% * 0.0244% (0.05 0.02 0.02) = 0.024% HA LEU 17 - HG2 LYS+ 117 4.167% * 0.0215% (0.05 0.02 0.02) = 0.022% HA THR 79 - HG2 LYS+ 117 4.167% * 0.0205% (0.04 0.02 0.02) = 0.020% HA GLU- 10 - HG3 LYS+ 117 4.167% * 0.0205% (0.04 0.02 0.02) = 0.020% HA LYS+ 78 - HG3 LYS+ 117 4.167% * 0.0181% (0.04 0.02 0.02) = 0.018% HA LEU 17 - HG3 LYS+ 117 4.167% * 0.0159% (0.03 0.02 0.02) = 0.016% HA THR 79 - HG3 LYS+ 117 4.167% * 0.0152% (0.03 0.02 0.02) = 0.015% HA VAL 73 - HG2 LYS+ 117 4.167% * 0.0070% (0.01 0.02 0.02) = 0.007% HA VAL 73 - HG3 LYS+ 117 4.167% * 0.0052% (0.01 0.02 0.02) = 0.005% HB THR 46 - HG2 LYS+ 117 4.167% * 0.0043% (0.01 0.02 0.02) = 0.004% HA LYS+ 55 - HG2 LYS+ 117 4.167% * 0.0043% (0.01 0.02 0.02) = 0.004% HB THR 46 - HG3 LYS+ 117 4.167% * 0.0032% (0.01 0.02 0.02) = 0.003% HA LYS+ 55 - HG3 LYS+ 117 4.167% * 0.0032% (0.01 0.02 0.02) = 0.003% Peak 3426 (1.59, 0.82, 25.69 ppm): 30 chemical-shift based assignments, quality = 0.599, support = 3.58, residual support = 51.6: O HB3 LEU 17 - QD2 LEU 17 3.333% * 69.8420% (0.73 10.0 1.00 3.63 51.85) = 69.842% kept O T HG LEU 17 - QD2 LEU 17 3.333% * 29.6862% (0.31 10.0 10.00 3.52 51.85) = 29.686% kept HB3 LYS+ 32 - QD2 LEU 17 3.333% * 0.0928% (0.97 1.0 1.00 0.02 0.10) = 0.093% HD3 LYS+ 32 - QD2 LEU 17 3.333% * 0.0803% (0.84 1.0 1.00 0.02 0.10) = 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 0.67) = 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 0.02) = 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 0.02) = 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 0.02) = 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 0.02) = 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): 15 chemical-shift based assignments, quality = 0.737, support = 0.0196, residual support = 0.0254: HB VAL 99 - QD2 LEU 17 6.667% * 30.9597% (0.99 0.02 0.02) = 30.960% kept HD3 LYS+ 55 - QD2 LEU 17 6.667% * 30.9597% (0.99 0.02 0.02) = 30.960% kept HB3 MET 126 - QD2 LEU 17 6.667% * 17.6844% (0.57 0.02 0.02) = 17.684% kept HG3 ARG+ 84 - QD2 LEU 17 6.667% * 5.4704% (0.18 0.02 0.13) = 5.470% kept HB2 HIS+ 8 - QD2 LEU 17 6.667% * 5.4704% (0.18 0.02 0.02) = 5.470% kept HB VAL 99 - HG2 LYS+ 117 6.667% * 1.8572% (0.06 0.02 0.02) = 1.857% kept HD3 LYS+ 55 - HG2 LYS+ 117 6.667% * 1.8572% (0.06 0.02 0.02) = 1.857% kept HB VAL 99 - HG3 LYS+ 117 6.667% * 1.3759% (0.04 0.02 0.02) = 1.376% kept HD3 LYS+ 55 - HG3 LYS+ 117 6.667% * 1.3759% (0.04 0.02 0.02) = 1.376% kept HB3 MET 126 - HG2 LYS+ 117 6.667% * 1.0609% (0.03 0.02 0.02) = 1.061% kept HB3 MET 126 - HG3 LYS+ 117 6.667% * 0.7859% (0.03 0.02 0.02) = 0.786% HB2 HIS+ 8 - HG2 LYS+ 117 6.667% * 0.3282% (0.01 0.02 0.02) = 0.328% HG3 ARG+ 84 - HG2 LYS+ 117 6.667% * 0.3282% (0.01 0.02 0.02) = 0.328% HG3 ARG+ 84 - HG3 LYS+ 117 6.667% * 0.2431% (0.01 0.02 0.02) = 0.243% HB2 HIS+ 8 - HG3 LYS+ 117 6.667% * 0.2431% (0.01 0.02 0.02) = 0.243% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3428 (1.37, 0.82, 25.69 ppm): 33 chemical-shift based assignments, quality = 0.284, support = 4.2, residual support = 37.3: O HB2 LEU 17 - QD2 LEU 17 3.030% * 71.3660% (0.18 10.0 5.35 51.85) = 71.366% kept HG LEU 74 - QD2 LEU 17 3.030% * 19.0924% (0.51 1.0 1.82 1.52) = 19.092% kept QB ALA 91 - QD2 LEU 17 3.030% * 6.9986% (0.87 1.0 0.40 0.11) = 6.999% kept HB3 LYS+ 20 - QD2 LEU 17 3.030% * 0.3994% (0.98 1.0 0.02 0.02) = 0.399% HG2 LYS+ 78 - QD2 LEU 17 3.030% * 0.3933% (0.97 1.0 0.02 0.02) = 0.393% QG2 THR 39 - QD2 LEU 17 3.030% * 0.3404% (0.84 1.0 0.02 0.02) = 0.340% HB2 LYS+ 20 - QD2 LEU 17 3.030% * 0.3114% (0.76 1.0 0.02 0.02) = 0.311% HG3 ARG+ 22 - QD2 LEU 17 3.030% * 0.2799% (0.69 1.0 0.02 0.02) = 0.280% HG13 ILE 19 - QD2 LEU 17 3.030% * 0.2636% (0.65 1.0 0.02 0.67) = 0.264% HG3 LYS+ 20 - QD2 LEU 17 3.030% * 0.1529% (0.38 1.0 0.02 0.02) = 0.153% HD3 LYS+ 20 - QD2 LEU 17 3.030% * 0.1016% (0.25 1.0 0.02 0.02) = 0.102% HB3 LYS+ 20 - HG2 LYS+ 117 3.030% * 0.0240% (0.06 1.0 0.02 2.04) = 0.024% HG2 LYS+ 78 - HG2 LYS+ 117 3.030% * 0.0236% (0.06 1.0 0.02 0.02) = 0.024% QB ALA 91 - HG2 LYS+ 117 3.030% * 0.0212% (0.05 1.0 0.02 0.29) = 0.021% QG2 THR 39 - HG2 LYS+ 117 3.030% * 0.0204% (0.05 1.0 0.02 0.68) = 0.020% HB2 LYS+ 20 - HG2 LYS+ 117 3.030% * 0.0187% (0.05 1.0 0.02 2.04) = 0.019% HB3 LYS+ 20 - HG3 LYS+ 117 3.030% * 0.0178% (0.04 1.0 0.02 2.04) = 0.018% HG2 LYS+ 78 - HG3 LYS+ 117 3.030% * 0.0175% (0.04 1.0 0.02 0.02) = 0.017% HG3 ARG+ 22 - HG2 LYS+ 117 3.030% * 0.0168% (0.04 1.0 0.02 0.02) = 0.017% HG13 ILE 19 - HG2 LYS+ 117 3.030% * 0.0158% (0.04 1.0 0.02 0.02) = 0.016% QB ALA 91 - HG3 LYS+ 117 3.030% * 0.0157% (0.04 1.0 0.02 0.29) = 0.016% QG2 THR 39 - HG3 LYS+ 117 3.030% * 0.0151% (0.04 1.0 0.02 0.68) = 0.015% HB2 LYS+ 20 - HG3 LYS+ 117 3.030% * 0.0138% (0.03 1.0 0.02 2.04) = 0.014% HG LEU 74 - HG2 LYS+ 117 3.030% * 0.0126% (0.03 1.0 0.02 0.02) = 0.013% HG3 ARG+ 22 - HG3 LYS+ 117 3.030% * 0.0124% (0.03 1.0 0.02 0.02) = 0.012% HG13 ILE 19 - HG3 LYS+ 117 3.030% * 0.0117% (0.03 1.0 0.02 0.02) = 0.012% HG LEU 74 - HG3 LYS+ 117 3.030% * 0.0093% (0.02 1.0 0.02 0.02) = 0.009% HG3 LYS+ 20 - HG2 LYS+ 117 3.030% * 0.0092% (0.02 1.0 0.02 2.04) = 0.009% HG3 LYS+ 20 - HG3 LYS+ 117 3.030% * 0.0068% (0.02 1.0 0.02 2.04) = 0.007% HD3 LYS+ 20 - HG2 LYS+ 117 3.030% * 0.0061% (0.01 1.0 0.02 2.04) = 0.006% HD3 LYS+ 20 - HG3 LYS+ 117 3.030% * 0.0045% (0.01 1.0 0.02 2.04) = 0.005% HB2 LEU 17 - HG2 LYS+ 117 3.030% * 0.0043% (0.01 1.0 0.02 0.02) = 0.004% HB2 LEU 17 - HG3 LYS+ 117 3.030% * 0.0032% (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): 12 chemical-shift based assignments, quality = 0.269, support = 1.9, residual support = 3.68: HA ILE 48 - QB ALA 103 8.333% * 35.9079% (0.34 1.97 1.88) = 35.908% kept HA ASN 89 - QB ALA 103 8.333% * 34.9145% (0.24 2.65 8.16) = 34.914% kept HA ASN 89 - HG3 LYS+ 20 8.333% * 16.7460% (0.25 1.26 0.70) = 16.746% kept HD2 PRO 52 - QB ALA 103 8.333% * 5.4478% (0.23 0.43 0.02) = 5.448% kept HA LYS+ 81 - QB ALA 103 8.333% * 5.2328% (0.17 0.59 0.79) = 5.233% kept HA ILE 48 - HG3 LYS+ 20 8.333% * 0.3690% (0.34 0.02 0.02) = 0.369% HB2 HIS+ 4 - HG3 LYS+ 20 8.333% * 0.3502% (0.32 0.02 0.02) = 0.350% HB2 HIS+ 4 - QB ALA 103 8.333% * 0.3462% (0.32 0.02 0.02) = 0.346% HD2 PRO 52 - HG3 LYS+ 20 8.333% * 0.2543% (0.24 0.02 0.02) = 0.254% HA LYS+ 81 - HG3 LYS+ 20 8.333% * 0.1802% (0.17 0.02 0.02) = 0.180% HA SER 27 - HG3 LYS+ 20 8.333% * 0.1263% (0.12 0.02 0.02) = 0.126% HA SER 27 - QB ALA 103 8.333% * 0.1248% (0.12 0.02 0.02) = 0.125% Peak 3431 (3.70, 1.29, 24.93 ppm): 12 chemical-shift based assignments, quality = 0.401, support = 1.59, residual support = 3.1: HA ILE 48 - QB ALA 103 8.333% * 27.1141% (0.34 1.97 1.88) = 27.114% kept HA ILE 48 - HG2 LYS+ 32 8.333% * 27.0673% (0.66 1.01 1.22) = 27.067% kept HA ASN 89 - QB ALA 103 8.333% * 26.3639% (0.25 2.65 8.16) = 26.364% kept HA ASN 89 - HG2 LYS+ 32 8.333% * 8.5325% (0.48 0.44 0.95) = 8.532% kept HD2 PRO 52 - QB ALA 103 8.333% * 4.1137% (0.24 0.43 0.02) = 4.114% kept HA LYS+ 81 - QB ALA 103 8.333% * 3.9513% (0.17 0.59 0.79) = 3.951% kept HD2 PRO 52 - HG2 LYS+ 32 8.333% * 1.5490% (0.46 0.08 0.02) = 1.549% kept HB2 HIS+ 4 - HG2 LYS+ 32 8.333% * 0.5080% (0.63 0.02 0.02) = 0.508% HB2 HIS+ 4 - QB ALA 103 8.333% * 0.2614% (0.32 0.02 0.02) = 0.261% HA LYS+ 81 - HG2 LYS+ 32 8.333% * 0.2614% (0.32 0.02 0.02) = 0.261% HA SER 27 - HG2 LYS+ 32 8.333% * 0.1832% (0.23 0.02 0.02) = 0.183% HA SER 27 - QB ALA 103 8.333% * 0.0943% (0.12 0.02 0.02) = 0.094% Peak 3432 (4.99, 1.77, 25.40 ppm): 2 chemical-shift based assignments, quality = 0.4, support = 1.17, residual support = 3.79: HA ILE 68 - HG2 PRO 31 50.000% * 84.9769% (0.44 1.29 4.45) = 84.977% kept HA PHE 34 - HG2 PRO 31 50.000% * 15.0231% (0.19 0.51 0.11) = 15.023% kept Peak 3433 (4.99, 1.94, 25.37 ppm): 2 chemical-shift based assignments, quality = 0.467, support = 1.55, residual support = 3.79: HA ILE 68 - HG3 PRO 31 50.000% * 84.8676% (0.51 1.71 4.45) = 84.868% kept HA PHE 34 - HG3 PRO 31 50.000% * 15.1324% (0.23 0.68 0.11) = 15.132% kept Peak 3434 (1.78, 1.94, 25.25 ppm): 15 chemical-shift based assignments, quality = 0.326, support = 3.13, residual support = 21.7: O HG2 PRO 31 - HG3 PRO 31 6.667% * 99.1294% (0.33 10.0 3.16 21.90) = 99.129% kept HB3 PRO 116 - HG3 PRO 31 6.667% * 0.0998% (0.33 1.0 0.02 0.02) = 0.100% HB3 LYS+ 63 - HG3 PRO 31 6.667% * 0.0923% (0.31 1.0 0.02 0.02) = 0.092% HB3 ARG+ 53 - HG3 PRO 31 6.667% * 0.0801% (0.27 1.0 0.02 0.02) = 0.080% HB3 HIS+ 7 - HG3 PRO 31 6.667% * 0.0801% (0.27 1.0 0.02 0.02) = 0.080% HB3 GLU- 18 - HG3 PRO 31 6.667% * 0.0801% (0.27 1.0 0.02 0.10) = 0.080% HB3 LYS+ 113 - HG3 PRO 31 6.667% * 0.0764% (0.25 1.0 0.02 0.02) = 0.076% HB2 LYS+ 117 - HG3 PRO 31 6.667% * 0.0764% (0.25 1.0 0.02 0.02) = 0.076% HB3 LYS+ 108 - HG3 PRO 31 6.667% * 0.0726% (0.24 1.0 0.02 0.02) = 0.073% HB3 LYS+ 117 - HG3 PRO 31 6.667% * 0.0687% (0.23 1.0 0.02 0.02) = 0.069% HB3 LYS+ 44 - HG3 PRO 31 6.667% * 0.0566% (0.19 1.0 0.02 0.13) = 0.057% HB2 ARG+ 84 - HG3 PRO 31 6.667% * 0.0278% (0.09 1.0 0.02 0.02) = 0.028% HB2 HIS+ 7 - HG3 PRO 31 6.667% * 0.0223% (0.07 1.0 0.02 0.02) = 0.022% HB VAL 94 - HG3 PRO 31 6.667% * 0.0198% (0.07 1.0 0.02 0.02) = 0.020% HB2 GLU- 109 - HG3 PRO 31 6.667% * 0.0175% (0.06 1.0 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 = 0.771, residual support = 5.42: HA ILE 68 - QD2 LEU 74 100.000% *100.0000% (0.31 0.77 5.42) = 100.000% kept Peak 3438 (4.19, 0.45, 25.58 ppm): 13 chemical-shift based assignments, quality = 0.587, support = 1.13, residual support = 3.81: HA VAL 73 - QD2 LEU 74 7.692% * 29.1463% (0.20 2.80 10.26) = 29.146% kept HA ASN 89 - QD2 LEU 74 7.692% * 23.8577% (0.86 0.55 2.30) = 23.858% kept HA GLU- 64 - QD2 LEU 74 7.692% * 21.7311% (0.90 0.48 0.12) = 21.731% kept HA ASP- 82 - QD2 LEU 74 7.692% * 13.0679% (0.81 0.32 0.02) = 13.068% kept HA LYS+ 44 - QD2 LEU 74 7.692% * 6.6367% (0.24 0.54 3.69) = 6.637% kept HA ALA 42 - QD2 LEU 74 7.692% * 1.4852% (0.18 0.16 0.02) = 1.485% kept HB3 SER 49 - QD2 LEU 74 7.692% * 1.2772% (0.22 0.11 0.02) = 1.277% kept HA MET 126 - QD2 LEU 74 7.692% * 0.8204% (0.81 0.02 2.45) = 0.820% HA GLU- 109 - QD2 LEU 74 7.692% * 0.5917% (0.58 0.02 0.02) = 0.592% HB3 HIS+ 14 - QD2 LEU 74 7.692% * 0.5179% (0.51 0.02 0.02) = 0.518% HA ALA 11 - QD2 LEU 74 7.692% * 0.4101% (0.40 0.02 0.02) = 0.410% HA GLU- 12 - QD2 LEU 74 7.692% * 0.2543% (0.25 0.02 0.02) = 0.254% HA LYS+ 110 - QD2 LEU 74 7.692% * 0.2036% (0.20 0.02 0.58) = 0.204% Peak 3439 (3.94, 0.45, 25.58 ppm): 10 chemical-shift based assignments, quality = 0.656, support = 2.05, residual support = 40.9: HA LEU 74 - QD2 LEU 74 10.000% * 51.8267% (0.55 3.55 76.40) = 51.827% kept HA ASN 89 - QD2 LEU 74 10.000% * 12.7497% (0.87 0.55 2.30) = 12.750% kept HA LYS+ 44 - QD2 LEU 74 10.000% * 12.3672% (0.85 0.54 3.69) = 12.367% kept HA1 GLY 114 - QD2 LEU 74 10.000% * 9.5461% (0.85 0.42 0.02) = 9.546% kept HA VAL 122 - QD2 LEU 74 10.000% * 5.6084% (0.75 0.28 4.52) = 5.608% kept HB3 CYS 121 - QD2 LEU 74 10.000% * 4.7148% (0.65 0.27 4.62) = 4.715% kept HA ILE 48 - QD2 LEU 74 10.000% * 1.6392% (0.16 0.37 5.70) = 1.639% kept HA ALA 93 - QD2 LEU 74 10.000% * 0.8986% (0.40 0.08 0.02) = 0.899% HB3 SER 77 - QD2 LEU 74 10.000% * 0.3958% (0.74 0.02 0.02) = 0.396% HB THR 96 - QD2 LEU 74 10.000% * 0.2534% (0.47 0.02 0.43) = 0.253% Peak 3440 (2.28, 0.45, 25.58 ppm): 4 chemical-shift based assignments, quality = 0.388, support = 0.61, residual support = 0.329: HA1 GLY 58 - QD2 LEU 74 25.000% * 79.2319% (0.42 0.71 0.39) = 79.232% kept HG3 GLU- 64 - QD2 LEU 74 25.000% * 17.2392% (0.22 0.29 0.12) = 17.239% kept HB2 PRO 86 - QD2 LEU 74 25.000% * 2.6952% (0.51 0.02 0.02) = 2.695% kept HB VAL 80 - QD2 LEU 74 25.000% * 0.8337% (0.16 0.02 0.45) = 0.834% Peak 3441 (7.97, 3.44, 66.51 ppm): 2 chemical-shift based assignments, quality = 0.611, support = 0.548, residual support = 1.06: HN LYS+ 72 - HA VAL 62 50.000% * 53.1840% (0.70 0.50 1.81) = 53.184% kept HN LEU 43 - HA VAL 62 50.000% * 46.8160% (0.51 0.61 0.21) = 46.816% kept Peak 3442 (7.88, 3.44, 66.51 ppm): 4 chemical-shift based assignments, quality = 0.905, support = 0.166, residual support = 0.53: HN LYS+ 44 - HA VAL 62 25.000% * 61.4157% (0.91 0.21 0.85) = 61.416% kept HN LEU 90 - HA VAL 62 25.000% * 32.7940% (0.97 0.11 0.02) = 32.794% kept HN THR 38 - HA VAL 62 25.000% * 3.4821% (0.55 0.02 0.02) = 3.482% kept HD22 ASN 89 - HA VAL 62 25.000% * 2.3083% (0.36 0.02 0.02) = 2.308% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3443 (7.06, 3.45, 67.59 ppm): 3 chemical-shift based assignments, quality = 0.55, support = 0.971, residual support = 2.08: QD TYR 83 - HA VAL 80 33.333% * 97.5735% (0.55 0.99 2.13) = 97.573% kept HE21 GLN 16 - HA VAL 80 33.333% * 1.7285% (0.49 0.02 0.02) = 1.728% kept QE PHE 21 - HA VAL 80 33.333% * 0.6981% (0.20 0.02 0.02) = 0.698% Peak 3444 (7.66, 3.45, 67.59 ppm): 1 chemical-shift based assignment, quality = 0.638, support = 0.75, residual support = 2.13: HN TYR 83 - HA VAL 80 100.000% *100.0000% (0.64 0.75 2.13) = 100.000% kept Peak 3445 (8.58, 3.45, 67.59 ppm): 4 chemical-shift based assignments, quality = 0.605, support = 2.24, residual support = 10.3: O HN VAL 80 - HA VAL 80 25.000% * 97.0440% (0.61 10.0 2.30 10.56) = 97.044% kept HN VAL 73 - HA VAL 80 25.000% * 1.7865% (0.64 1.0 0.35 0.12) = 1.787% kept HN THR 39 - HA VAL 80 25.000% * 1.1345% (0.59 1.0 0.24 0.19) = 1.135% 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): 4 chemical-shift based assignments, quality = 0.233, support = 0.424, residual support = 0.116: HZ PHE 21 - HA VAL 47 25.000% * 48.3132% (0.17 0.57 0.20) = 48.313% kept HD22 ASN 15 - HA VAL 47 25.000% * 42.2787% (0.25 0.35 0.02) = 42.279% kept HD21 ASN 119 - HA VAL 47 25.000% * 4.9391% (0.50 0.02 0.02) = 4.939% kept QD PHE 21 - HA VAL 47 25.000% * 4.4691% (0.45 0.02 0.20) = 4.469% kept Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 3447 (8.36, 3.08, 67.44 ppm): 5 chemical-shift based assignments, quality = 0.471, support = 0.246, residual support = 0.858: HN ALA 103 - HA VAL 47 20.000% * 63.7263% (0.50 0.33 1.34) = 63.726% kept HN LYS+ 108 - HA VAL 47 20.000% * 17.8929% (0.49 0.10 0.02) = 17.893% kept HN GLU- 109 - HA VAL 47 20.000% * 13.8655% (0.35 0.10 0.02) = 13.866% kept HN GLY 71 - HA VAL 47 20.000% * 3.7469% (0.49 0.02 0.02) = 3.747% kept HN GLU- 50 - HA VAL 47 20.000% * 0.7684% (0.10 0.02 0.02) = 0.768% 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): 8 chemical-shift based assignments, quality = 0.677, support = 0.723, residual support = 0.0571: HA ASP- 115 - HG3 LYS+ 108 12.500% * 62.1470% (0.77 0.99 0.02) = 62.147% kept HA PRO 116 - HG3 LYS+ 108 12.500% * 19.9869% (0.68 0.36 0.21) = 19.987% kept HA LYS+ 113 - HG3 LYS+ 108 12.500% * 5.3179% (0.50 0.13 0.02) = 5.318% kept HA ASN 89 - HG3 LYS+ 108 12.500% * 5.2647% (0.22 0.30 0.02) = 5.265% kept HA MET 118 - HG3 LYS+ 108 12.500% * 5.1357% (0.28 0.23 0.02) = 5.136% kept HA ASN 15 - HG3 LYS+ 108 12.500% * 1.1503% (0.71 0.02 0.02) = 1.150% kept HA VAL 40 - HG3 LYS+ 108 12.500% * 0.5452% (0.34 0.02 0.02) = 0.545% HA HIS+ 5 - HG3 LYS+ 108 12.500% * 0.4523% (0.28 0.02 0.02) = 0.452% Peak 3453 (8.23, 1.27, 24.84 ppm): 13 chemical-shift based assignments, quality = 0.67, support = 1.09, residual support = 0.574: HN GLY 58 - HG2 LYS+ 32 7.692% * 41.8106% (0.72 1.32 0.66) = 41.811% kept HN SER 49 - HG2 LYS+ 32 7.692% * 38.6577% (0.71 1.25 0.75) = 38.658% kept HN LYS+ 81 - HG2 LYS+ 32 7.692% * 7.5166% (0.70 0.25 0.02) = 7.517% kept HN ASP- 115 - HG2 LYS+ 32 7.692% * 6.1486% (0.27 0.52 0.11) = 6.149% kept HN LEU 67 - HG2 LYS+ 32 7.692% * 3.2631% (0.70 0.11 0.02) = 3.263% kept HN MET 118 - HG2 LYS+ 32 7.692% * 0.6207% (0.71 0.02 0.02) = 0.621% HN GLU- 12 - HG2 LYS+ 32 7.692% * 0.5679% (0.65 0.02 0.02) = 0.568% HN VAL 94 - HG2 LYS+ 32 7.692% * 0.3331% (0.38 0.02 0.02) = 0.333% HN VAL 105 - HG2 LYS+ 32 7.692% * 0.3082% (0.35 0.02 0.02) = 0.308% HN THR 106 - HG2 LYS+ 32 7.692% * 0.2839% (0.33 0.02 0.02) = 0.284% HN ALA 11 - HG2 LYS+ 32 7.692% * 0.2160% (0.25 0.02 0.02) = 0.216% HN GLU- 45 - HG2 LYS+ 32 7.692% * 0.1761% (0.20 0.02 0.02) = 0.176% HN GLN 16 - HG2 LYS+ 32 7.692% * 0.0977% (0.11 0.02 0.02) = 0.098% Peak 3454 (7.34, 1.27, 24.84 ppm): 6 chemical-shift based assignments, quality = 0.666, support = 3.04, residual support = 17.1: HZ PHE 34 - HG2 LYS+ 32 16.667% * 41.0620% (0.72 3.88 18.96) = 41.062% kept QE PHE 34 - HG2 LYS+ 32 16.667% * 30.4076% (0.72 2.88 18.96) = 30.408% kept QD PHE 34 - HG2 LYS+ 32 16.667% * 18.7669% (0.47 2.72 18.96) = 18.767% kept HZ2 TRP 51 - HG2 LYS+ 32 16.667% * 7.6204% (0.72 0.72 0.26) = 7.620% kept HN VAL 47 - HG2 LYS+ 32 16.667% * 2.0309% (0.41 0.34 0.02) = 2.031% kept HN ARG+ 84 - HG2 LYS+ 32 16.667% * 0.1123% (0.38 0.02 0.02) = 0.112% Peak 3455 (4.48, 1.27, 24.84 ppm): 14 chemical-shift based assignments, quality = 0.43, support = 3.84, residual support = 35.7: O HA LYS+ 32 - HG2 LYS+ 32 7.143% * 94.7271% (0.44 10.0 4.03 37.58) = 94.727% kept HA ASN 89 - HG2 LYS+ 32 7.143% * 2.1630% (0.46 1.0 0.44 0.95) = 2.163% kept HA LYS+ 55 - HG2 LYS+ 32 7.143% * 1.3646% (0.18 1.0 0.70 2.36) = 1.365% kept HA CYS 123 - HG2 LYS+ 32 7.143% * 0.6411% (0.53 1.0 0.11 0.02) = 0.641% HB THR 46 - HG2 LYS+ 32 7.143% * 0.4069% (0.18 1.0 0.21 0.02) = 0.407% HA ASN 76 - HG2 LYS+ 32 7.143% * 0.1401% (0.65 1.0 0.02 0.02) = 0.140% HA ALA 103 - HG2 LYS+ 32 7.143% * 0.1010% (0.47 1.0 0.02 0.02) = 0.101% HA SER 77 - HG2 LYS+ 32 7.143% * 0.0947% (0.44 1.0 0.02 0.02) = 0.095% HA PRO 86 - HG2 LYS+ 32 7.143% * 0.0822% (0.38 1.0 0.02 0.02) = 0.082% HA VAL 73 - HG2 LYS+ 32 7.143% * 0.0821% (0.38 1.0 0.02 0.02) = 0.082% HA ILE 100 - HG2 LYS+ 32 7.143% * 0.0700% (0.33 1.0 0.02 0.02) = 0.070% HA ILE 101 - HG2 LYS+ 32 7.143% * 0.0642% (0.30 1.0 0.02 0.02) = 0.064% HA GLU- 50 - HG2 LYS+ 32 7.143% * 0.0389% (0.18 1.0 0.02 0.02) = 0.039% HA VAL 99 - HG2 LYS+ 32 7.143% * 0.0241% (0.11 1.0 0.02 0.36) = 0.024% Peak 3456 (3.49, 1.13, 24.84 ppm): 6 chemical-shift based assignments, quality = 0.445, support = 1.5, residual support = 2.8: HA1 GLY 30 - HG3 LYS+ 32 16.667% * 33.4913% (0.71 1.02 2.49) = 33.491% kept HA ILE 48 - HG3 LYS+ 32 16.667% * 22.3180% (0.26 1.87 1.22) = 22.318% kept HD3 PRO 31 - HG3 LYS+ 32 16.667% * 21.1395% (0.16 2.89 7.55) = 21.139% kept HB3 SER 69 - HG3 LYS+ 32 16.667% * 12.6591% (0.64 0.43 0.02) = 12.659% kept HA ASN 89 - HG3 LYS+ 32 16.667% * 10.2621% (0.32 0.71 0.95) = 10.262% kept HA1 GLY 71 - HG3 LYS+ 32 16.667% * 0.1301% (0.14 0.02 0.02) = 0.130% Peak 3457 (3.49, 1.27, 24.84 ppm): 6 chemical-shift based assignments, quality = 0.473, support = 1.39, residual support = 3.15: HA1 GLY 30 - HG2 LYS+ 32 16.667% * 38.2663% (0.72 1.00 2.49) = 38.266% kept HD3 PRO 31 - HG2 LYS+ 32 16.667% * 25.7544% (0.16 3.00 7.55) = 25.754% kept HB3 SER 69 - HG2 LYS+ 32 16.667% * 14.1717% (0.65 0.41 0.02) = 14.172% kept HA ILE 48 - HG2 LYS+ 32 16.667% * 14.1501% (0.26 1.01 1.22) = 14.150% kept HA ASN 89 - HG2 LYS+ 32 16.667% * 7.5049% (0.32 0.44 0.95) = 7.505% kept HA1 GLY 71 - HG2 LYS+ 32 16.667% * 0.1525% (0.14 0.02 0.02) = 0.153% 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 = 0.0645, support = 3.59, residual support = 19.4: HN LYS+ 20 - HG2 LYS+ 20 25.000% * 98.0100% (0.07 3.66 19.76) = 98.010% kept HN THR 39 - HG2 LYS+ 20 25.000% * 1.5458% (0.02 0.24 0.02) = 1.546% kept HN SER 85 - HG2 LYS+ 20 25.000% * 0.3305% (0.04 0.02 0.02) = 0.330% HN VAL 80 - HG2 LYS+ 20 25.000% * 0.1137% (0.01 0.02 0.02) = 0.114% Peak 3461 (7.83, 1.28, 25.06 ppm): 6 chemical-shift based assignments, quality = 0.413, support = 1.56, residual support = 2.16: HN LYS+ 55 - HG2 LYS+ 32 16.667% * 90.0958% (0.43 1.67 2.36) = 90.096% kept HN LYS+ 55 - QB ALA 103 16.667% * 6.8107% (0.07 0.76 0.46) = 6.811% kept HN LYS+ 63 - HG2 LYS+ 32 16.667% * 2.2141% (0.89 0.02 0.02) = 2.214% kept HN ALA 93 - HG2 LYS+ 32 16.667% * 0.4382% (0.18 0.02 0.02) = 0.438% HN LYS+ 63 - QB ALA 103 16.667% * 0.3684% (0.15 0.02 0.02) = 0.368% HN ALA 93 - QB ALA 103 16.667% * 0.0729% (0.03 0.02 0.02) = 0.073% Peak 3462 (4.78, 1.28, 25.06 ppm): 12 chemical-shift based assignments, quality = 0.467, support = 0.708, residual support = 1.11: HA ASP- 115 - HG2 LYS+ 32 8.333% * 39.2021% (0.87 0.39 0.11) = 39.202% kept HA ASN 15 - QB ALA 103 8.333% * 12.0248% (0.15 0.71 0.11) = 12.025% kept HA ASN 89 - HG2 LYS+ 32 8.333% * 11.5638% (0.23 0.44 0.95) = 11.564% kept HA ASN 89 - QB ALA 103 8.333% * 11.5525% (0.04 2.65 8.16) = 11.552% kept HA ASP- 115 - QB ALA 103 8.333% * 9.7895% (0.14 0.59 0.02) = 9.789% kept HA PRO 116 - QB ALA 103 8.333% * 9.2811% (0.15 0.55 0.02) = 9.281% kept HA ASN 15 - HG2 LYS+ 32 8.333% * 2.0277% (0.89 0.02 0.02) = 2.028% kept HA PRO 116 - HG2 LYS+ 32 8.333% * 2.0232% (0.88 0.02 0.02) = 2.023% kept HA LYS+ 113 - HG2 LYS+ 32 8.333% * 1.8185% (0.79 0.02 0.02) = 1.819% kept HA VAL 40 - HG2 LYS+ 32 8.333% * 0.3551% (0.16 0.02 0.02) = 0.355% HA LYS+ 113 - QB ALA 103 8.333% * 0.3026% (0.13 0.02 0.02) = 0.303% HA VAL 40 - QB ALA 103 8.333% * 0.0591% (0.03 0.02 0.02) = 0.059% Peak 3463 (4.51, 1.40, 25.25 ppm): 18 chemical-shift based assignments, quality = 0.0984, support = 1.33, residual support = 12.8: O HA LYS+ 55 - HG3 LYS+ 55 5.556% * 78.7274% (0.06 10.0 1.62 16.25) = 78.727% kept HA ASN 89 - HG3 LYS+ 108 5.556% * 7.1783% (0.28 1.0 0.30 0.02) = 7.178% kept HA VAL 73 - HG3 LYS+ 108 5.556% * 5.3496% (0.16 1.0 0.38 0.50) = 5.350% kept HA LYS+ 55 - HG3 LYS+ 108 5.556% * 4.3354% (0.42 1.0 0.12 0.02) = 4.335% kept HA LYS+ 78 - HG3 LYS+ 108 5.556% * 2.1350% (0.33 1.0 0.08 0.02) = 2.135% kept HB THR 46 - HG3 LYS+ 108 5.556% * 0.7173% (0.42 1.0 0.02 0.13) = 0.717% HA SER 77 - HG3 LYS+ 108 5.556% * 0.4025% (0.23 1.0 0.02 0.02) = 0.403% HA CYS 123 - HG3 LYS+ 108 5.556% * 0.3104% (0.18 1.0 0.02 0.02) = 0.310% HA GLU- 10 - HG3 LYS+ 108 5.556% * 0.2299% (0.13 1.0 0.02 0.02) = 0.230% HA ASN 76 - HG3 LYS+ 108 5.556% * 0.1841% (0.11 1.0 0.02 0.02) = 0.184% HB THR 46 - HG3 LYS+ 55 5.556% * 0.0971% (0.06 1.0 0.02 0.02) = 0.097% HA LYS+ 78 - HG3 LYS+ 55 5.556% * 0.0769% (0.04 1.0 0.02 0.02) = 0.077% HA ASN 89 - HG3 LYS+ 55 5.556% * 0.0651% (0.04 1.0 0.02 0.02) = 0.065% HA SER 77 - HG3 LYS+ 55 5.556% * 0.0545% (0.03 1.0 0.02 0.02) = 0.054% HA CYS 123 - HG3 LYS+ 55 5.556% * 0.0420% (0.02 1.0 0.02 0.02) = 0.042% HA VAL 73 - HG3 LYS+ 55 5.556% * 0.0384% (0.02 1.0 0.02 0.02) = 0.038% HA GLU- 10 - HG3 LYS+ 55 5.556% * 0.0311% (0.02 1.0 0.02 0.02) = 0.031% HA ASN 76 - HG3 LYS+ 55 5.556% * 0.0249% (0.01 1.0 0.02 0.02) = 0.025% Peak 3464 (4.10, 1.40, 25.25 ppm): 16 chemical-shift based assignments, quality = 0.375, support = 0.284, residual support = 0.0821: HA THR 46 - HG3 LYS+ 108 6.250% * 27.3196% (0.35 1.00 0.45 0.13) = 27.320% kept HA ASN 89 - HG3 LYS+ 108 6.250% * 24.8634% (0.48 1.00 0.30 0.02) = 24.863% kept HA VAL 105 - HG3 LYS+ 108 6.250% * 20.2468% (0.45 1.00 0.26 0.02) = 20.247% kept T HA LYS+ 44 - HG3 LYS+ 108 6.250% * 11.2960% (0.32 10.00 0.02 0.02) = 11.296% kept HB THR 106 - HG3 LYS+ 108 6.250% * 10.2069% (0.23 1.00 0.25 0.26) = 10.207% kept HA ALA 70 - HG3 LYS+ 108 6.250% * 1.6158% (0.46 1.00 0.02 0.02) = 1.616% kept HA LYS+ 63 - HG3 LYS+ 55 6.250% * 1.2631% (0.02 1.00 0.40 0.02) = 1.263% kept HA ARG+ 53 - HG3 LYS+ 55 6.250% * 1.0084% (0.02 1.00 0.24 0.71) = 1.008% kept HA ARG+ 53 - HG3 LYS+ 108 6.250% * 0.6284% (0.18 1.00 0.02 0.02) = 0.628% HA LYS+ 63 - HG3 LYS+ 108 6.250% * 0.4655% (0.13 1.00 0.02 0.02) = 0.466% HA ASN 89 - HG3 LYS+ 55 6.250% * 0.2255% (0.06 1.00 0.02 0.02) = 0.225% HA ALA 70 - HG3 LYS+ 55 6.250% * 0.2187% (0.06 1.00 0.02 0.02) = 0.219% HA VAL 105 - HG3 LYS+ 55 6.250% * 0.2143% (0.06 1.00 0.02 0.02) = 0.214% HA THR 46 - HG3 LYS+ 55 6.250% * 0.1645% (0.05 1.00 0.02 0.02) = 0.165% HA LYS+ 44 - HG3 LYS+ 55 6.250% * 0.1529% (0.04 1.00 0.02 0.02) = 0.153% HB THR 106 - HG3 LYS+ 55 6.250% * 0.1103% (0.03 1.00 0.02 0.02) = 0.110% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 3465 (2.23, 1.46, 27.63 ppm): 26 chemical-shift based assignments, quality = 0.107, support = 0.947, residual support = 1.5: HG3 GLU- 75 - HG LEU 74 3.846% * 22.7862% (0.11 1.75 4.49) = 22.786% kept HG3 GLU- 18 - HG LEU 74 3.846% * 14.5774% (0.08 1.45 1.47) = 14.577% kept HB2 GLU- 50 - HG LEU 90 3.846% * 12.3431% (0.21 0.50 0.02) = 12.343% kept HG3 MET 126 - HG LEU 74 3.846% * 7.9621% (0.05 1.25 2.45) = 7.962% kept HB VAL 80 - HG LEU 74 3.846% * 5.7300% (0.05 1.06 0.45) = 5.730% kept HG3 MET 118 - HG LEU 74 3.846% * 5.6280% (0.10 0.48 0.14) = 5.628% kept HA1 GLY 58 - HG LEU 90 3.846% * 5.4592% (0.12 0.40 0.27) = 5.459% kept HG3 GLU- 107 - HG LEU 74 3.846% * 5.1911% (0.08 0.54 0.02) = 5.191% kept HB3 PRO 52 - HG LEU 90 3.846% * 4.7846% (0.29 0.14 0.02) = 4.785% kept HA1 GLY 58 - HG LEU 74 3.846% * 2.7878% (0.04 0.56 0.39) = 2.788% kept HG3 GLU- 109 - HG LEU 74 3.846% * 2.6281% (0.06 0.35 0.02) = 2.628% kept HG3 GLU- 10 - HG LEU 74 3.846% * 2.2933% (0.09 0.21 0.02) = 2.293% kept HB3 PRO 52 - HG LEU 74 3.846% * 1.1227% (0.11 0.09 0.02) = 1.123% kept HG2 GLU- 56 - HG LEU 74 3.846% * 1.0336% (0.09 0.10 0.02) = 1.034% kept HB2 GLU- 50 - HG LEU 74 3.846% * 0.7991% (0.08 0.09 0.02) = 0.799% HG3 GLU- 75 - HG LEU 90 3.846% * 0.7158% (0.30 0.02 0.45) = 0.716% HG3 MET 118 - HG LEU 90 3.846% * 0.6477% (0.27 0.02 0.12) = 0.648% HG3 GLU- 10 - HG LEU 90 3.846% * 0.6032% (0.25 0.02 0.02) = 0.603% HG2 GLU- 56 - HG LEU 90 3.846% * 0.5783% (0.24 0.02 0.02) = 0.578% HG3 GLU- 18 - HG LEU 90 3.846% * 0.5519% (0.23 0.02 0.02) = 0.552% HG3 GLU- 107 - HG LEU 90 3.846% * 0.5244% (0.22 0.02 0.02) = 0.524% HG3 GLU- 109 - HG LEU 90 3.846% * 0.4089% (0.17 0.02 0.02) = 0.409% HG3 MET 126 - HG LEU 90 3.846% * 0.3515% (0.15 0.02 0.02) = 0.352% HB VAL 80 - HG LEU 90 3.846% * 0.2969% (0.13 0.02 0.02) = 0.297% HG3 GLU- 54 - HG LEU 90 3.846% * 0.1429% (0.06 0.02 0.02) = 0.143% HG3 GLU- 54 - HG LEU 74 3.846% * 0.0519% (0.02 0.02 0.02) = 0.052% Not enough quality. Peak unassigned. Peak 3466 (2.23, 1.68, 27.63 ppm): 14 chemical-shift based assignments, quality = 0.442, support = 0.277, residual support = 0.0464: HA1 GLY 58 - HG3 ARG+ 84 7.143% * 31.7545% (0.24 0.66 0.10) = 31.755% kept HG3 GLU- 18 - HG3 ARG+ 84 7.143% * 19.0804% (0.57 0.16 0.02) = 19.080% kept HG3 GLU- 107 - HG3 ARG+ 84 7.143% * 13.4323% (0.55 0.12 0.02) = 13.432% kept HB3 PRO 52 - HG3 ARG+ 84 7.143% * 10.5527% (0.64 0.08 0.02) = 10.553% kept HG3 GLU- 75 - HG3 ARG+ 84 7.143% * 9.0268% (0.59 0.08 0.02) = 9.027% kept HG3 GLU- 54 - HG3 ARG+ 84 7.143% * 3.2570% (0.20 0.08 0.02) = 3.257% kept HG3 MET 118 - HG3 ARG+ 84 7.143% * 2.5290% (0.62 0.02 0.02) = 2.529% kept HB2 GLU- 50 - HG3 ARG+ 84 7.143% * 2.1551% (0.53 0.02 0.02) = 2.155% kept HG3 GLU- 109 - HG3 ARG+ 84 7.143% * 1.8736% (0.46 0.02 0.02) = 1.874% kept HG3 GLU- 10 - HG3 ARG+ 84 7.143% * 1.7723% (0.44 0.02 0.02) = 1.772% kept HG3 MET 126 - HG3 ARG+ 84 7.143% * 1.6691% (0.41 0.02 0.02) = 1.669% kept HG2 GLU- 56 - HG3 ARG+ 84 7.143% * 1.6691% (0.41 0.02 0.02) = 1.669% kept HB VAL 80 - HG3 ARG+ 84 7.143% * 0.7174% (0.18 0.02 0.02) = 0.717% HB2 LYS+ 113 - HG3 ARG+ 84 7.143% * 0.5106% (0.13 0.02 0.02) = 0.511% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 3467 (0.28, 1.63, 27.60 ppm): 2 chemical-shift based assignments, quality = 0.564, support = 0.606, residual support = 0.53: T QD2 LEU 23 - HG12 ILE 101 50.000% * 53.6309% (0.70 10.00 0.50 0.55) = 53.631% kept T QD2 LEU 23 - HG3 ARG+ 84 50.000% * 46.3691% (0.41 10.00 0.73 0.51) = 46.369% kept Peak 3469 (0.28, 1.46, 27.63 ppm): 2 chemical-shift based assignments, quality = 0.262, support = 0.24, residual support = 0.126: QD2 LEU 23 - HG LEU 90 50.000% * 80.8013% (0.30 0.26 0.15) = 80.801% kept QD2 LEU 23 - HG LEU 74 50.000% * 19.1987% (0.11 0.17 0.02) = 19.199% kept Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 3470 (3.99, 0.68, 28.31 ppm): 8 chemical-shift based assignments, quality = 0.743, support = 1.81, residual support = 2.38: HA ASN 89 - HG12 ILE 19 12.500% * 53.1080% (0.77 2.45 3.37) = 53.108% kept HB THR 95 - HG12 ILE 19 12.500% * 25.5497% (0.70 1.30 1.95) = 25.550% kept HA LYS+ 44 - HG12 ILE 19 12.500% * 19.6078% (0.78 0.90 0.48) = 19.608% kept HB3 HIS+ 5 - HG12 ILE 19 12.500% * 0.4219% (0.75 0.02 0.02) = 0.422% HB3 SER 77 - HG12 ILE 19 12.500% * 0.4206% (0.75 0.02 0.02) = 0.421% HB THR 39 - HG12 ILE 19 12.500% * 0.4135% (0.74 0.02 0.02) = 0.414% HA1 GLY 92 - HG12 ILE 19 12.500% * 0.3921% (0.70 0.02 0.02) = 0.392% HB THR 38 - HG12 ILE 19 12.500% * 0.0865% (0.15 0.02 0.02) = 0.087% Peak 3471 (4.87, 0.68, 28.31 ppm): 4 chemical-shift based assignments, quality = 0.754, support = 3.94, residual support = 24.3: O HA ILE 19 - HG12 ILE 19 25.000% * 89.1122% (0.78 10.0 4.21 26.98) = 89.112% kept HA THR 95 - HG12 ILE 19 25.000% * 7.3452% (0.68 1.0 1.88 1.95) = 7.345% kept HA ASN 89 - HG12 ILE 19 25.000% * 1.9683% (0.14 1.0 2.45 3.37) = 1.968% kept HA SER 69 - HG12 ILE 19 25.000% * 1.5743% (0.68 1.0 0.40 0.13) = 1.574% kept Peak 3472 (0.92, 0.73, 28.28 ppm): 14 chemical-shift based assignments, quality = 0.108, support = 1.57, residual support = 6.69: HG LEU 74 - HG12 ILE 100 7.143% * 54.7569% (0.09 2.42 8.25) = 54.757% kept QG2 VAL 99 - HG12 ILE 100 7.143% * 26.9875% (0.14 0.78 7.71) = 26.987% kept HG13 ILE 68 - HG12 ILE 100 7.143% * 8.4454% (0.12 0.28 1.01) = 8.445% kept QD1 LEU 67 - HG12 ILE 100 7.143% * 6.3833% (0.11 0.23 0.02) = 6.383% kept QG2 VAL 73 - HG12 ILE 100 7.143% * 0.7115% (0.15 0.02 0.02) = 0.711% QG2 VAL 87 - HG12 ILE 100 7.143% * 0.5748% (0.12 0.02 0.02) = 0.575% QG1 VAL 47 - HG12 ILE 100 7.143% * 0.4866% (0.10 0.02 0.02) = 0.487% QG2 VAL 105 - HG12 ILE 100 7.143% * 0.4562% (0.09 0.02 0.02) = 0.456% QD1 LEU 17 - HG12 ILE 100 7.143% * 0.3372% (0.07 0.02 0.02) = 0.337% QG1 VAL 105 - HG12 ILE 100 7.143% * 0.3092% (0.06 0.02 0.02) = 0.309% QG1 VAL 80 - HG12 ILE 100 7.143% * 0.1875% (0.04 0.02 0.02) = 0.188% HG12 ILE 29 - HG12 ILE 100 7.143% * 0.1317% (0.03 0.02 0.02) = 0.132% QG2 VAL 62 - HG12 ILE 100 7.143% * 0.1161% (0.02 0.02 0.11) = 0.116% QG1 VAL 122 - HG12 ILE 100 7.143% * 0.1161% (0.02 0.02 0.02) = 0.116% Peak 3473 (1.39, 0.73, 28.28 ppm): 10 chemical-shift based assignments, quality = 0.085, support = 1.87, residual support = 6.18: HG LEU 74 - HG12 ILE 100 10.000% * 74.6114% (0.07 2.42 8.25) = 74.611% kept HD3 LYS+ 20 - HG12 ILE 100 10.000% * 19.7634% (0.15 0.31 0.11) = 19.763% kept HB2 LYS+ 20 - HG12 ILE 100 10.000% * 1.1252% (0.13 0.02 0.11) = 1.125% kept QG2 THR 39 - HG12 ILE 100 10.000% * 1.0295% (0.12 0.02 0.02) = 1.029% kept HG2 LYS+ 78 - HG12 ILE 100 10.000% * 0.7626% (0.09 0.02 0.02) = 0.763% HB3 LYS+ 20 - HG12 ILE 100 10.000% * 0.7087% (0.08 0.02 0.11) = 0.709% QB ALA 42 - HG12 ILE 100 10.000% * 0.6557% (0.08 0.02 0.02) = 0.656% QB ALA 37 - HG12 ILE 100 10.000% * 0.5538% (0.06 0.02 0.02) = 0.554% QG2 THR 38 - HG12 ILE 100 10.000% * 0.5538% (0.06 0.02 0.02) = 0.554% QB ALA 91 - HG12 ILE 100 10.000% * 0.2359% (0.03 0.02 0.02) = 0.236% Peak 3475 (4.17, 1.38, 28.44 ppm): 7 chemical-shift based assignments, quality = 0.477, support = 1.68, residual support = 2.96: HA ASN 89 - HG13 ILE 19 14.286% * 86.0221% (0.53 1.86 3.37) = 86.022% kept HA LYS+ 44 - HG13 ILE 19 14.286% * 11.1292% (0.19 0.66 0.48) = 11.129% kept HB2 SER 88 - HG13 ILE 19 14.286% * 1.7404% (0.10 0.21 0.19) = 1.740% kept HA MET 126 - HG13 ILE 19 14.286% * 0.5412% (0.31 0.02 0.02) = 0.541% HA GLU- 64 - HG13 ILE 19 14.286% * 0.2951% (0.17 0.02 0.02) = 0.295% HA VAL 73 - HG13 ILE 19 14.286% * 0.1427% (0.08 0.02 0.02) = 0.143% HA ASP- 82 - HG13 ILE 19 14.286% * 0.1294% (0.07 0.02 0.02) = 0.129% 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): 4 chemical-shift based assignments, quality = 0.275, support = 1.7, residual support = 3.29: HA ASN 89 - HG3 ARG+ 84 25.000% * 57.1455% (0.14 2.68 5.46) = 57.146% kept HA LEU 23 - HG3 ARG+ 84 25.000% * 32.4913% (0.44 0.49 0.51) = 32.491% kept HD3 ARG+ 53 - HG3 ARG+ 84 25.000% * 8.8955% (0.51 0.12 0.02) = 8.895% kept HE3 LYS+ 63 - HG3 ARG+ 84 25.000% * 1.4677% (0.49 0.02 0.02) = 1.468% 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 = 0.142, support = 0.397, residual support = 0.243: HA1 GLY 58 - HG LEU 17 12.500% * 33.9696% (0.06 0.82 0.57) = 33.970% kept HD3 PRO 35 - HG LEU 17 12.500% * 25.2046% (0.11 0.35 0.16) = 25.205% kept HB3 HIS+ 98 - HG LEU 17 12.500% * 14.9385% (0.22 0.11 0.02) = 14.938% kept HE3 LYS+ 72 - HG LEU 17 12.500% * 14.8750% (0.24 0.10 0.02) = 14.875% kept HE3 LYS+ 108 - HG LEU 17 12.500% * 3.1220% (0.24 0.02 0.02) = 3.122% kept HE3 LYS+ 117 - HG LEU 17 12.500% * 3.1220% (0.24 0.02 0.02) = 3.122% kept HE3 LYS+ 81 - HG LEU 17 12.500% * 2.8061% (0.22 0.02 0.02) = 2.806% kept HD2 ARG+ 53 - HG LEU 17 12.500% * 1.9621% (0.15 0.02 0.02) = 1.962% kept Not enough quality. Peak unassigned. Peak 3480 (4.55, 1.56, 27.31 ppm): 7 chemical-shift based assignments, quality = 0.242, support = 2.88, residual support = 48.8: O HA LEU 17 - HG LEU 17 14.286% * 93.9131% (0.25 10.0 2.95 51.85) = 93.913% kept HA ASN 89 - HG LEU 17 14.286% * 4.8064% (0.14 1.0 1.89 2.91) = 4.806% kept HA VAL 73 - HG LEU 17 14.286% * 1.0308% (0.05 1.0 1.05 0.32) = 1.031% kept HA THR 79 - HG LEU 17 14.286% * 0.0933% (0.25 1.0 0.02 0.02) = 0.093% HA GLU- 10 - HG LEU 17 14.286% * 0.0844% (0.22 1.0 0.02 0.02) = 0.084% HA LYS+ 78 - HG LEU 17 14.286% * 0.0458% (0.12 1.0 0.02 0.02) = 0.046% HA LYS+ 72 - HG LEU 17 14.286% * 0.0262% (0.07 1.0 0.02 0.02) = 0.026% Peak 3481 (4.85, 2.04, 27.63 ppm): 12 chemical-shift based assignments, quality = 0.0864, support = 0.326, residual support = 0.094: HA ASN 89 - HG3 PRO 86 8.333% * 48.8794% (0.07 0.51 0.15) = 48.879% kept HA THR 95 - HG2 PRO 86 8.333% * 9.6117% (0.04 0.18 0.02) = 9.612% kept HA ASN 89 - HG2 PRO 86 8.333% * 8.8296% (0.01 0.51 0.15) = 8.830% kept HA MET 97 - HG3 PRO 86 8.333% * 8.3577% (0.06 0.10 0.02) = 8.358% kept HA THR 95 - HG3 ARG+ 53 8.333% * 6.9265% (0.26 0.02 0.02) = 6.927% kept HA THR 95 - HG3 PRO 86 8.333% * 5.9220% (0.22 0.02 0.02) = 5.922% kept HA ILE 19 - HG3 ARG+ 53 8.333% * 2.8476% (0.11 0.02 0.02) = 2.848% kept HA ILE 19 - HG3 PRO 86 8.333% * 2.4346% (0.09 0.02 0.02) = 2.435% kept HA ASN 89 - HG3 ARG+ 53 8.333% * 2.2415% (0.08 0.02 0.02) = 2.242% kept HA MET 97 - HG3 ARG+ 53 8.333% * 2.0000% (0.08 0.02 0.02) = 2.000% kept HA MET 97 - HG2 PRO 86 8.333% * 1.5097% (0.01 0.10 0.02) = 1.510% kept HA ILE 19 - HG2 PRO 86 8.333% * 0.4398% (0.02 0.02 0.02) = 0.440% Not enough quality. Peak unassigned. Peak 3482 (3.50, 0.81, 27.87 ppm): 8 chemical-shift based assignments, quality = 0.557, support = 1.08, residual support = 0.922: HA ASN 89 - QD2 LEU 67 12.500% * 68.1973% (0.45 1.50 1.34) = 68.197% kept HA1 GLY 30 - QD2 LEU 67 12.500% * 16.1284% (0.72 0.22 0.02) = 16.128% kept HB3 SER 69 - QD2 LEU 67 12.500% * 13.8273% (0.96 0.14 0.02) = 13.827% kept HA ASN 89 - HG12 ILE 100 12.500% * 0.8240% (0.02 0.36 0.02) = 0.824% HA ILE 48 - QD2 LEU 67 12.500% * 0.8106% (0.40 0.02 6.79) = 0.811% HB3 SER 69 - HG12 ILE 100 12.500% * 0.0977% (0.05 0.02 0.02) = 0.098% HA1 GLY 30 - HG12 ILE 100 12.500% * 0.0735% (0.04 0.02 0.02) = 0.074% HA ILE 48 - HG12 ILE 100 12.500% * 0.0411% (0.02 0.02 0.02) = 0.041% Peak 3483 (5.57, 0.81, 27.87 ppm): 2 chemical-shift based assignments, quality = 0.483, support = 4.18, residual support = 28.2: HA LEU 67 - QD2 LEU 67 50.000% * 99.9758% (0.48 4.18 28.16) = 99.976% kept HA LEU 67 - HG12 ILE 100 50.000% * 0.0242% (0.02 0.02 0.02) = 0.024% Peak 3484 (7.05, 0.81, 27.87 ppm): 6 chemical-shift based assignments, quality = 0.914, support = 0.601, residual support = 0.674: QD TYR 83 - QD2 LEU 67 16.667% * 76.2172% (0.99 0.70 0.88) = 76.217% kept QE PHE 21 - QD2 LEU 67 16.667% * 21.3388% (0.64 0.30 0.02) = 21.339% kept HE21 GLN 16 - QD2 LEU 67 16.667% * 2.1537% (0.98 0.02 0.02) = 2.154% kept QD TYR 83 - HG12 ILE 100 16.667% * 0.1099% (0.05 0.02 0.02) = 0.110% HE21 GLN 16 - HG12 ILE 100 16.667% * 0.1091% (0.05 0.02 0.02) = 0.109% QE PHE 21 - HG12 ILE 100 16.667% * 0.0712% (0.03 0.02 0.02) = 0.071% Peak 3485 (7.93, 0.81, 27.87 ppm): 2 chemical-shift based assignments, quality = 0.369, support = 0.089, residual support = 0.02: HN LYS+ 72 - QD2 LEU 67 50.000% * 98.8842% (0.37 0.09 0.02) = 98.884% kept HN LYS+ 72 - HG12 ILE 100 50.000% * 1.1158% (0.02 0.02 0.02) = 1.116% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3486 (8.27, 0.81, 27.87 ppm): 24 chemical-shift based assignments, quality = 0.483, support = 2.5, residual support = 12.9: HN LEU 67 - QD2 LEU 67 4.167% * 44.4798% (0.20 4.84 28.16) = 44.480% kept HN ASN 89 - QD2 LEU 67 4.167% * 26.2699% (0.76 0.74 1.34) = 26.270% kept HN THR 106 - QD2 LEU 67 4.167% * 22.0866% (0.72 0.66 0.13) = 22.087% kept HN GLN 16 - QD2 LEU 67 4.167% * 3.7314% (0.98 0.08 0.02) = 3.731% kept HN HIS+ 7 - QD2 LEU 67 4.167% * 0.9261% (0.99 0.02 0.02) = 0.926% HN ASP- 115 - QD2 LEU 67 4.167% * 0.7432% (0.80 0.02 0.02) = 0.743% HN HIS+ 8 - QD2 LEU 67 4.167% * 0.3816% (0.41 0.02 0.02) = 0.382% HN ASP- 28 - QD2 LEU 67 4.167% * 0.3483% (0.37 0.02 0.02) = 0.348% HN GLU- 12 - QD2 LEU 67 4.167% * 0.2581% (0.28 0.02 0.02) = 0.258% HN LYS+ 81 - QD2 LEU 67 4.167% * 0.1837% (0.20 0.02 0.02) = 0.184% HN MET 118 - QD2 LEU 67 4.167% * 0.1625% (0.17 0.02 0.02) = 0.163% HN LEU 9 - QD2 LEU 67 4.167% * 0.1432% (0.15 0.02 0.02) = 0.143% HN HIS+ 7 - HG12 ILE 100 4.167% * 0.0469% (0.05 0.02 0.02) = 0.047% HN GLN 16 - HG12 ILE 100 4.167% * 0.0466% (0.05 0.02 0.02) = 0.047% HN ASP- 115 - HG12 ILE 100 4.167% * 0.0377% (0.04 0.02 0.12) = 0.038% HN ASN 89 - HG12 ILE 100 4.167% * 0.0359% (0.04 0.02 0.02) = 0.036% HN THR 106 - HG12 ILE 100 4.167% * 0.0342% (0.04 0.02 0.02) = 0.034% HN HIS+ 8 - HG12 ILE 100 4.167% * 0.0193% (0.02 0.02 0.02) = 0.019% HN ASP- 28 - HG12 ILE 100 4.167% * 0.0177% (0.02 0.02 0.28) = 0.018% HN GLU- 12 - HG12 ILE 100 4.167% * 0.0131% (0.01 0.02 0.02) = 0.013% HN LEU 67 - HG12 ILE 100 4.167% * 0.0093% (0.01 0.02 0.02) = 0.009% HN LYS+ 81 - HG12 ILE 100 4.167% * 0.0093% (0.01 0.02 0.02) = 0.009% HN MET 118 - HG12 ILE 100 4.167% * 0.0082% (0.01 0.02 0.02) = 0.008% HN LEU 9 - HG12 ILE 100 4.167% * 0.0073% (0.01 0.02 0.02) = 0.007% Peak 3487 (4.18, 0.93, 28.37 ppm): 24 chemical-shift based assignments, quality = 0.33, support = 1.4, residual support = 2.42: HA ASN 89 - HG13 ILE 68 4.167% * 30.4089% (0.46 1.00 2.43 4.23) = 30.409% kept HA ASN 89 - HG12 ILE 68 4.167% * 21.5344% (0.43 1.00 1.81 4.23) = 21.534% kept HA ASN 89 - QD1 LEU 67 4.167% * 9.8780% (0.21 1.00 1.74 1.34) = 9.878% kept T HA GLU- 64 - QD1 LEU 67 4.167% * 8.1531% (0.15 10.00 0.20 0.02) = 8.153% kept T HA VAL 73 - HG13 ILE 68 4.167% * 6.7375% (0.09 10.00 0.29 0.58) = 6.737% kept HA MET 126 - HG13 ILE 68 4.167% * 6.5872% (0.44 1.00 0.55 0.02) = 6.587% kept T HA LYS+ 44 - HG13 ILE 68 4.167% * 4.2722% (0.15 10.00 0.11 0.72) = 4.272% kept HA MET 126 - HG12 ILE 68 4.167% * 3.0515% (0.42 1.00 0.27 0.02) = 3.052% kept HA LYS+ 44 - HG12 ILE 68 4.167% * 2.1825% (0.14 1.00 0.57 0.72) = 2.183% kept T HA LYS+ 44 - QD1 LEU 67 4.167% * 2.1218% (0.07 10.00 0.11 0.02) = 2.122% kept T HA GLU- 64 - HG13 ILE 68 4.167% * 1.7875% (0.33 10.00 0.02 0.02) = 1.787% kept HA MET 126 - QD1 LEU 67 4.167% * 0.8777% (0.20 1.00 0.16 0.02) = 0.878% T HA GLU- 109 - HG13 ILE 68 4.167% * 0.5150% (0.09 10.00 0.02 0.02) = 0.515% HA ASP- 82 - QD1 LEU 67 4.167% * 0.4754% (0.09 1.00 0.20 0.02) = 0.475% T HA VAL 73 - HG12 ILE 68 4.167% * 0.4460% (0.08 10.00 0.02 0.58) = 0.446% T HA GLU- 109 - QD1 LEU 67 4.167% * 0.2341% (0.04 10.00 0.02 0.02) = 0.234% T HA VAL 73 - QD1 LEU 67 4.167% * 0.2134% (0.04 10.00 0.02 0.02) = 0.213% HA GLU- 64 - HG12 ILE 68 4.167% * 0.1698% (0.31 1.00 0.02 0.02) = 0.170% HA ASP- 82 - HG13 ILE 68 4.167% * 0.1070% (0.20 1.00 0.02 0.02) = 0.107% HA ASP- 82 - HG12 ILE 68 4.167% * 0.1016% (0.19 1.00 0.02 0.02) = 0.102% HA GLU- 109 - HG12 ILE 68 4.167% * 0.0489% (0.09 1.00 0.02 0.02) = 0.049% HB3 HIS+ 14 - HG13 ILE 68 4.167% * 0.0402% (0.07 1.00 0.02 0.02) = 0.040% HB3 HIS+ 14 - HG12 ILE 68 4.167% * 0.0381% (0.07 1.00 0.02 0.02) = 0.038% HB3 HIS+ 14 - QD1 LEU 67 4.167% * 0.0183% (0.03 1.00 0.02 0.02) = 0.018% Peak 3488 (8.87, 0.93, 28.37 ppm): 6 chemical-shift based assignments, quality = 0.389, support = 4.73, residual support = 30.6: HN ILE 68 - HG13 ILE 68 16.667% * 46.8390% (0.43 5.58 33.44) = 46.839% kept HN ILE 68 - HG12 ILE 68 16.667% * 37.3069% (0.41 4.67 33.44) = 37.307% kept HN ILE 68 - QD1 LEU 67 16.667% * 11.7661% (0.19 3.08 20.60) = 11.766% kept HN ASP- 36 - HG13 ILE 68 16.667% * 2.0953% (0.38 0.28 0.02) = 2.095% kept HN ASP- 36 - HG12 ILE 68 16.667% * 1.7308% (0.36 0.24 0.02) = 1.731% kept HN ASP- 36 - QD1 LEU 67 16.667% * 0.2619% (0.17 0.08 0.02) = 0.262% Peak 3489 (8.87, 1.38, 28.37 ppm): 2 chemical-shift based assignments, quality = 0.456, support = 2.56, residual support = 5.17: HN ILE 68 - HG13 ILE 19 50.000% * 99.3127% (0.46 2.58 5.21) = 99.313% kept HN ASP- 36 - HG13 ILE 19 50.000% * 0.6873% (0.41 0.02 0.02) = 0.687% 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 = 3.17, residual support = 22.0: HN ARG+ 84 - HG3 ARG+ 84 7.143% * 78.6386% (0.89 3.94 27.95) = 78.639% kept QD PHE 34 - HG3 ARG+ 84 7.143% * 6.9753% (0.96 0.33 0.02) = 6.975% kept HZ PHE 34 - HG3 ARG+ 84 7.143% * 6.2696% (0.86 0.33 0.02) = 6.270% kept HZ2 TRP 51 - HG3 ARG+ 84 7.143% * 4.2755% (0.86 0.22 0.02) = 4.276% kept HZ2 TRP 51 - HG12 ILE 101 7.143% * 2.4119% (0.23 0.46 0.90) = 2.412% kept HN VAL 47 - HG3 ARG+ 84 7.143% * 0.4104% (0.92 0.02 0.02) = 0.410% QE PHE 34 - HG3 ARG+ 84 7.143% * 0.3857% (0.86 0.02 0.02) = 0.386% QD PHE 34 - HG12 ILE 101 7.143% * 0.1165% (0.26 0.02 0.02) = 0.117% HN VAL 47 - HG12 ILE 101 7.143% * 0.1115% (0.25 0.02 0.02) = 0.111% HN ARG+ 84 - HG12 ILE 101 7.143% * 0.1083% (0.24 0.02 0.02) = 0.108% HZ PHE 34 - HG12 ILE 101 7.143% * 0.1047% (0.23 0.02 0.02) = 0.105% QE PHE 34 - HG12 ILE 101 7.143% * 0.1047% (0.23 0.02 0.02) = 0.105% HN ILE 48 - HG3 ARG+ 84 7.143% * 0.0686% (0.15 0.02 0.31) = 0.069% HN ILE 48 - HG12 ILE 101 7.143% * 0.0186% (0.04 0.02 0.02) = 0.019% Peak 3496 (9.31, 1.57, 26.98 ppm): 2 chemical-shift based assignments, quality = 0.828, support = 1.18, residual support = 5.07: HN ILE 29 - HG LEU 17 50.000% * 99.1770% (0.84 1.19 5.11) = 99.177% kept HN LEU 23 - HG LEU 17 50.000% * 0.8230% (0.41 0.02 0.02) = 0.823% Peak 3499 (8.50, 1.58, 27.31 ppm): 3 chemical-shift based assignments, quality = 0.157, support = 2.67, residual support = 8.58: HN GLU- 18 - HG LEU 17 33.333% * 55.7120% (0.10 3.72 14.21) = 55.712% kept HN HIS+ 4 - HG LEU 17 33.333% * 43.8559% (0.23 1.36 1.52) = 43.856% kept HN GLU- 10 - HG LEU 17 33.333% * 0.4321% (0.15 0.02 0.02) = 0.432% Peak 3500 (8.98, 1.58, 27.31 ppm): 2 chemical-shift based assignments, quality = 0.158, support = 4.42, residual support = 49.7: HN LEU 17 - HG LEU 17 50.000% * 95.7819% (0.16 4.61 51.85) = 95.782% kept HN MET 97 - HG LEU 17 50.000% * 4.2181% (0.11 0.29 0.02) = 4.218% kept Peak 3501 (9.08, 2.10, 28.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3502 (9.08, 2.01, 28.93 ppm): 4 chemical-shift based assignments, quality = 0.171, support = 0.02, residual support = 0.02: HN LYS+ 66 - HB3 GLU- 45 25.000% * 40.1429% (0.21 0.02 0.02) = 40.143% kept HN GLU- 54 - HB3 GLU- 45 25.000% * 37.3045% (0.20 0.02 0.02) = 37.304% kept HN LYS+ 66 - HB2 GLU- 45 25.000% * 11.6896% (0.06 0.02 0.02) = 11.690% kept HN GLU- 54 - HB2 GLU- 45 25.000% * 10.8630% (0.06 0.02 0.02) = 10.863% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3503 (4.25, 2.01, 28.93 ppm): 44 chemical-shift based assignments, quality = 0.146, support = 1.09, residual support = 2.12: HA ASN 89 - HB3 GLU- 45 2.273% * 51.8595% (0.20 1.39 3.00) = 51.859% kept HA ASN 89 - HB2 GLU- 45 2.273% * 18.6562% (0.06 1.72 3.00) = 18.656% kept HA PRO 59 - HB3 GLU- 45 2.273% * 10.1582% (0.22 0.25 0.02) = 10.158% kept HA SER 49 - HB3 GLU- 45 2.273% * 5.8189% (0.14 0.22 0.02) = 5.819% kept HA SER 49 - HB2 GLU- 45 2.273% * 2.1666% (0.04 0.28 0.02) = 2.167% kept HD3 PRO 59 - HB3 GLU- 45 2.273% * 1.0912% (0.04 0.15 0.02) = 1.091% kept HA LYS+ 108 - HB3 GLU- 45 2.273% * 0.8172% (0.22 0.02 0.02) = 0.817% HA HIS+ 4 - HB3 GLU- 45 2.273% * 0.7747% (0.21 0.02 0.02) = 0.775% HA2 GLY 114 - HB3 GLU- 45 2.273% * 0.7104% (0.19 0.02 0.02) = 0.710% HA HIS+ 8 - HB3 GLU- 45 2.273% * 0.6841% (0.18 0.02 0.02) = 0.684% HA GLU- 56 - HB3 GLU- 45 2.273% * 0.6259% (0.17 0.02 0.62) = 0.626% HA GLU- 54 - HB3 GLU- 45 2.273% * 0.5947% (0.16 0.02 0.02) = 0.595% HA GLU- 18 - HB3 GLU- 45 2.273% * 0.4967% (0.13 0.02 0.02) = 0.497% HB3 SER 49 - HB2 GLU- 45 2.273% * 0.4322% (0.01 0.16 0.02) = 0.432% HA GLU- 75 - HB3 GLU- 45 2.273% * 0.4309% (0.11 0.02 0.02) = 0.431% HA VAL 73 - HB3 GLU- 45 2.273% * 0.3920% (0.10 0.02 0.02) = 0.392% HD3 PRO 59 - HB2 GLU- 45 2.273% * 0.3136% (0.01 0.15 0.02) = 0.314% HA PRO 59 - HB2 GLU- 45 2.273% * 0.2385% (0.06 0.02 0.02) = 0.238% HA LYS+ 108 - HB2 GLU- 45 2.273% * 0.2380% (0.06 0.02 0.02) = 0.238% HA ALA 42 - HB3 GLU- 45 2.273% * 0.2277% (0.06 0.02 0.02) = 0.228% HA HIS+ 4 - HB2 GLU- 45 2.273% * 0.2256% (0.06 0.02 0.02) = 0.226% HA2 GLY 114 - HB2 GLU- 45 2.273% * 0.2069% (0.06 0.02 0.02) = 0.207% HA ARG+ 84 - HB3 GLU- 45 2.273% * 0.2042% (0.05 0.02 0.02) = 0.204% HA LYS+ 110 - HB3 GLU- 45 2.273% * 0.2042% (0.05 0.02 0.02) = 0.204% HA HIS+ 8 - HB2 GLU- 45 2.273% * 0.1992% (0.05 0.02 0.02) = 0.199% HA GLU- 12 - HB2 GLU- 45 2.273% * 0.1943% (0.01 0.08 0.02) = 0.194% HA VAL 65 - HB3 GLU- 45 2.273% * 0.1823% (0.05 0.02 0.02) = 0.182% HB3 SER 49 - HB3 GLU- 45 2.273% * 0.1823% (0.05 0.02 0.02) = 0.182% HA GLU- 56 - HB2 GLU- 45 2.273% * 0.1823% (0.05 0.02 0.62) = 0.182% HA GLU- 54 - HB2 GLU- 45 2.273% * 0.1732% (0.05 0.02 0.02) = 0.173% HA GLU- 12 - HB3 GLU- 45 2.273% * 0.1621% (0.04 0.02 0.02) = 0.162% HA GLU- 18 - HB2 GLU- 45 2.273% * 0.1447% (0.04 0.02 0.02) = 0.145% HA SER 85 - HB3 GLU- 45 2.273% * 0.1434% (0.04 0.02 0.02) = 0.143% HA PRO 52 - HB3 GLU- 45 2.273% * 0.1434% (0.04 0.02 0.02) = 0.143% HA ALA 91 - HB3 GLU- 45 2.273% * 0.1264% (0.03 0.02 0.02) = 0.126% HA GLU- 75 - HB2 GLU- 45 2.273% * 0.1255% (0.03 0.02 0.02) = 0.125% HA VAL 73 - HB2 GLU- 45 2.273% * 0.1141% (0.03 0.02 0.02) = 0.114% HA ALA 42 - HB2 GLU- 45 2.273% * 0.0663% (0.02 0.02 0.02) = 0.066% HA ARG+ 84 - HB2 GLU- 45 2.273% * 0.0595% (0.02 0.02 0.02) = 0.059% HA LYS+ 110 - HB2 GLU- 45 2.273% * 0.0595% (0.02 0.02 0.02) = 0.059% HA VAL 65 - HB2 GLU- 45 2.273% * 0.0531% (0.01 0.02 0.02) = 0.053% HA PRO 52 - HB2 GLU- 45 2.273% * 0.0418% (0.01 0.02 0.02) = 0.042% HA SER 85 - HB2 GLU- 45 2.273% * 0.0418% (0.01 0.02 0.02) = 0.042% HA ALA 91 - HB2 GLU- 45 2.273% * 0.0368% (0.01 0.02 0.02) = 0.037% 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): 34 chemical-shift based assignments, quality = 0.2, support = 0.285, residual support = 0.157: HA ASN 89 - HD3 LYS+ 63 2.941% * 40.4214% (0.32 0.33 0.02) = 40.421% kept HA ASN 89 - HB2 GLU- 75 2.941% * 13.1785% (0.06 0.55 0.02) = 13.178% kept HA GLU- 54 - HD3 LYS+ 63 2.941% * 12.5622% (0.07 0.49 0.02) = 12.562% kept HA VAL 73 - HB2 GLU- 75 2.941% * 2.6002% (0.02 0.37 0.02) = 2.600% kept HA GLU- 109 - HD3 LYS+ 63 2.941% * 2.5847% (0.33 0.02 0.02) = 2.585% kept HB3 HIS+ 14 - HD3 LYS+ 63 2.941% * 2.5167% (0.32 0.02 0.02) = 2.517% kept HA ASP- 82 - HD3 LYS+ 63 2.941% * 2.4669% (0.32 0.02 0.02) = 2.467% kept HA ALA 11 - HD3 LYS+ 63 2.941% * 2.3388% (0.30 0.02 0.02) = 2.339% kept HA ASP- 82 - HB2 GLU- 75 2.941% * 1.9587% (0.06 0.08 0.02) = 1.959% kept HA GLU- 12 - HD3 LYS+ 63 2.941% * 1.8937% (0.24 0.02 0.02) = 1.894% kept HA GLU- 64 - HD3 LYS+ 63 2.941% * 1.8937% (0.24 0.02 7.34) = 1.894% kept HB3 SER 49 - HD3 LYS+ 63 2.941% * 1.7913% (0.23 0.02 0.02) = 1.791% kept HA GLU- 64 - HB2 GLU- 75 2.941% * 1.7018% (0.05 0.09 0.02) = 1.702% kept HA LYS+ 110 - HD3 LYS+ 63 2.941% * 1.6870% (0.22 0.02 0.02) = 1.687% kept HA ALA 42 - HD3 LYS+ 63 2.941% * 1.5817% (0.20 0.02 0.02) = 1.582% kept HA MET 126 - HD3 LYS+ 63 2.941% * 1.1692% (0.15 0.02 0.02) = 1.169% kept HA LYS+ 44 - HB2 GLU- 75 2.941% * 1.1236% (0.01 0.19 0.02) = 1.124% kept HA GLU- 18 - HD3 LYS+ 63 2.941% * 0.7251% (0.09 0.02 0.02) = 0.725% HA VAL 73 - HD3 LYS+ 63 2.941% * 0.7228% (0.09 0.02 0.02) = 0.723% HA SER 49 - HD3 LYS+ 63 2.941% * 0.6503% (0.08 0.02 0.02) = 0.650% HA LYS+ 44 - HD3 LYS+ 63 2.941% * 0.5943% (0.08 0.02 0.02) = 0.594% HA GLU- 109 - HB2 GLU- 75 2.941% * 0.5058% (0.06 0.02 0.02) = 0.506% HB3 HIS+ 14 - HB2 GLU- 75 2.941% * 0.4925% (0.06 0.02 0.02) = 0.492% HA ALA 11 - HB2 GLU- 75 2.941% * 0.4577% (0.06 0.02 0.02) = 0.458% HA GLU- 12 - HB2 GLU- 75 2.941% * 0.3706% (0.05 0.02 0.02) = 0.371% HA HIS+ 8 - HD3 LYS+ 63 2.941% * 0.3529% (0.05 0.02 0.02) = 0.353% HB3 SER 49 - HB2 GLU- 75 2.941% * 0.3505% (0.04 0.02 0.02) = 0.351% HA LYS+ 110 - HB2 GLU- 75 2.941% * 0.3301% (0.04 0.02 0.02) = 0.330% HA ALA 42 - HB2 GLU- 75 2.941% * 0.3095% (0.04 0.02 0.02) = 0.310% HA MET 126 - HB2 GLU- 75 2.941% * 0.2288% (0.03 0.02 0.02) = 0.229% HA GLU- 18 - HB2 GLU- 75 2.941% * 0.1419% (0.02 0.02 0.02) = 0.142% HA SER 49 - HB2 GLU- 75 2.941% * 0.1272% (0.02 0.02 0.02) = 0.127% HA GLU- 54 - HB2 GLU- 75 2.941% * 0.1010% (0.01 0.02 0.02) = 0.101% HA HIS+ 8 - HB2 GLU- 75 2.941% * 0.0691% (0.01 0.02 0.02) = 0.069% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 3511 (2.25, 1.90, 30.28 ppm): 16 chemical-shift based assignments, quality = 0.0853, support = 0.918, residual support = 14.0: O HG3 GLU- 75 - HB2 GLU- 75 6.250% * 74.2597% (0.04 10.0 1.18 18.79) = 74.260% kept HB VAL 80 - HD3 LYS+ 63 6.250% * 9.4573% (0.33 1.0 0.17 0.02) = 9.457% kept HA1 GLY 58 - HD3 LYS+ 63 6.250% * 7.3638% (0.14 1.0 0.31 0.02) = 7.364% kept HG2 GLU- 56 - HD3 LYS+ 63 6.250% * 5.6122% (0.29 1.0 0.11 0.02) = 5.612% kept HG3 GLU- 10 - HD3 LYS+ 63 6.250% * 0.9525% (0.28 1.0 0.02 0.02) = 0.952% HG3 GLU- 75 - HD3 LYS+ 63 6.250% * 0.6456% (0.19 1.0 0.02 0.02) = 0.646% HB3 PRO 52 - HD3 LYS+ 63 6.250% * 0.3890% (0.11 1.0 0.02 0.02) = 0.389% HG3 MET 118 - HD3 LYS+ 63 6.250% * 0.2843% (0.08 1.0 0.02 0.02) = 0.284% HB VAL 80 - HB2 GLU- 75 6.250% * 0.2212% (0.06 1.0 0.02 0.02) = 0.221% HG2 GLU- 56 - HB2 GLU- 75 6.250% * 0.1936% (0.06 1.0 0.02 0.02) = 0.194% HG3 GLU- 10 - HB2 GLU- 75 6.250% * 0.1864% (0.05 1.0 0.02 0.02) = 0.186% HG3 GLU- 18 - HD3 LYS+ 63 6.250% * 0.1759% (0.05 1.0 0.02 0.02) = 0.176% HA1 GLY 58 - HB2 GLU- 75 6.250% * 0.0924% (0.03 1.0 0.02 0.02) = 0.092% HB3 PRO 52 - HB2 GLU- 75 6.250% * 0.0761% (0.02 1.0 0.02 0.02) = 0.076% HG3 MET 118 - HB2 GLU- 75 6.250% * 0.0556% (0.02 1.0 0.02 0.02) = 0.056% HG3 GLU- 18 - HB2 GLU- 75 6.250% * 0.0344% (0.01 1.0 0.02 0.02) = 0.034% 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): 12 chemical-shift based assignments, quality = 0.437, support = 2.22, residual support = 22.2: O HA GLN 102 - HB3 GLN 102 8.333% * 97.1138% (0.45 10.0 2.25 22.76) = 97.114% kept HA ASN 89 - HB3 GLN 102 8.333% * 2.1880% (0.12 1.0 1.72 3.02) = 2.188% kept HA ASN 89 - HB3 GLN 16 8.333% * 0.1283% (0.02 1.0 0.71 0.02) = 0.128% HA HIS+ 98 - HB3 GLN 102 8.333% * 0.1268% (0.58 1.0 0.02 0.02) = 0.127% HA HIS+ 98 - HB3 GLU- 56 8.333% * 0.1100% (0.51 1.0 0.02 0.02) = 0.110% HA ALA 33 - HB3 GLN 102 8.333% * 0.0971% (0.45 1.0 0.02 0.02) = 0.097% HA GLN 102 - HB3 GLU- 56 8.333% * 0.0843% (0.39 1.0 0.02 0.02) = 0.084% HA ALA 33 - HB3 GLU- 56 8.333% * 0.0843% (0.39 1.0 0.02 0.02) = 0.084% HA ASN 89 - HB3 GLU- 56 8.333% * 0.0221% (0.10 1.0 0.02 0.02) = 0.022% HA HIS+ 98 - HB3 GLN 16 8.333% * 0.0179% (0.08 1.0 0.02 0.02) = 0.018% HA ALA 33 - HB3 GLN 16 8.333% * 0.0137% (0.06 1.0 0.02 6.44) = 0.014% HA GLN 102 - HB3 GLN 16 8.333% * 0.0137% (0.06 1.0 0.02 0.02) = 0.014% Peak 3514 (8.50, 2.03, 31.51 ppm): 3 chemical-shift based assignments, quality = 0.0472, support = 2.12, residual support = 11.1: O HN GLU- 18 - HB2 GLU- 18 33.333% * 84.5076% (0.04 10.0 2.23 12.91) = 84.508% kept HN HIS+ 4 - HB2 GLU- 18 33.333% * 15.3677% (0.09 1.0 1.53 1.50) = 15.368% kept HN GLU- 10 - HB2 GLU- 18 33.333% * 0.1247% (0.06 1.0 0.02 0.02) = 0.125% Peak 3516 (8.18, 2.49, 31.14 ppm): 6 chemical-shift based assignments, quality = 0.456, support = 3.23, residual support = 16.0: HN SER 41 - HB VAL 40 16.667% * 91.5882% (0.46 3.52 17.47) = 91.588% kept HN ASN 119 - HB VAL 40 16.667% * 2.9551% (0.44 0.12 0.02) = 2.955% kept HN LYS+ 120 - HB VAL 40 16.667% * 2.7710% (0.62 0.08 0.02) = 2.771% kept HN LYS+ 117 - HB VAL 40 16.667% * 2.1294% (0.20 0.19 0.02) = 2.129% kept HN ALA 33 - HB VAL 40 16.667% * 0.3774% (0.33 0.02 0.02) = 0.377% HN SER 77 - HB VAL 40 16.667% * 0.1789% (0.16 0.02 0.02) = 0.179% Peak 3517 (4.81, 2.03, 31.51 ppm): 7 chemical-shift based assignments, quality = 0.0527, support = 1.16, residual support = 0.997: HA MET 97 - HB2 GLU- 18 14.286% * 38.6496% (0.06 0.96 0.38) = 38.650% kept HA ASN 89 - HB2 GLU- 18 14.286% * 35.3388% (0.02 1.98 2.30) = 35.339% kept HA GLU- 107 - HB2 GLU- 18 14.286% * 24.1995% (0.09 0.35 0.16) = 24.200% kept HA LYS+ 113 - HB2 GLU- 18 14.286% * 0.7417% (0.05 0.02 0.17) = 0.742% HA PRO 116 - HB2 GLU- 18 14.286% * 0.4236% (0.03 0.02 0.02) = 0.424% HA ASN 15 - HB2 GLU- 18 14.286% * 0.3799% (0.03 0.02 0.02) = 0.380% HA ASP- 115 - HB2 GLU- 18 14.286% * 0.2668% (0.02 0.02 0.02) = 0.267% 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): 3 chemical-shift based assignments, quality = 0.786, support = 3.0, residual support = 10.9: HN LEU 17 - HB2 GLN 16 33.333% * 86.4515% (0.82 3.37 12.53) = 86.452% kept HN MET 97 - HB2 GLN 16 33.333% * 12.7796% (0.63 0.64 0.19) = 12.780% kept HN ARG+ 22 - HB2 GLN 16 33.333% * 0.7689% (0.13 0.18 0.02) = 0.769% Peak 3532 (8.37, 1.92, 30.87 ppm): 12 chemical-shift based assignments, quality = 0.603, support = 3.39, residual support = 9.27: HN ALA 103 - HB3 GLN 102 8.333% * 89.4224% (0.62 3.76 10.36) = 89.422% kept HN GLY 71 - HB3 GLN 102 8.333% * 8.0095% (0.64 0.33 0.02) = 8.010% kept HN GLY 71 - HB3 GLU- 56 8.333% * 0.6648% (0.86 0.02 0.02) = 0.665% HN ALA 103 - HB3 GLU- 56 8.333% * 0.6430% (0.83 0.02 0.21) = 0.643% HN LYS+ 108 - HB3 GLU- 56 8.333% * 0.4496% (0.58 0.02 0.02) = 0.450% HN LYS+ 108 - HB3 GLN 102 8.333% * 0.3327% (0.43 0.02 0.02) = 0.333% HN GLU- 109 - HB3 GLU- 56 8.333% * 0.2061% (0.27 0.02 0.02) = 0.206% HN GLU- 109 - HB3 GLN 102 8.333% * 0.1525% (0.20 0.02 0.02) = 0.153% HN GLY 71 - HB3 GLN 16 8.333% * 0.0404% (0.05 0.02 0.02) = 0.040% HN ALA 103 - HB3 GLN 16 8.333% * 0.0391% (0.05 0.02 0.02) = 0.039% HN LYS+ 108 - HB3 GLN 16 8.333% * 0.0273% (0.04 0.02 0.02) = 0.027% HN GLU- 109 - HB3 GLN 16 8.333% * 0.0125% (0.02 0.02 0.02) = 0.013% Peak 3533 (8.79, 1.72, 31.20 ppm): 4 chemical-shift based assignments, quality = 0.44, support = 1.82, residual support = 1.42: HN PHE 34 - HB2 GLN 16 25.000% * 66.0281% (0.22 2.61 2.14) = 66.028% kept HN THR 95 - HB2 GLN 16 25.000% * 31.3677% (0.88 0.31 0.02) = 31.368% kept HN SER 69 - HB2 GLN 16 25.000% * 2.2534% (0.97 0.02 0.02) = 2.253% kept HN ASN 57 - HB2 GLN 16 25.000% * 0.3508% (0.15 0.02 0.02) = 0.351% Peak 3534 (8.50, 1.77, 31.52 ppm): 8 chemical-shift based assignments, quality = 0.0946, support = 2.5, residual support = 11.9: O HN GLU- 18 - HB3 GLU- 18 12.500% * 91.3730% (0.09 10.0 2.65 12.91) = 91.373% kept HN HIS+ 4 - HB3 GLU- 18 12.500% * 7.7601% (0.14 1.0 1.07 1.50) = 7.760% kept HN HIS+ 4 - HB2 ARG+ 84 12.500% * 0.2670% (0.27 1.0 0.02 0.02) = 0.267% HN GLU- 10 - HB2 ARG+ 84 12.500% * 0.2276% (0.23 1.0 0.02 0.02) = 0.228% HN GLU- 18 - HB2 ARG+ 84 12.500% * 0.1686% (0.17 1.0 0.02 0.02) = 0.169% HN GLU- 10 - HB3 GLU- 18 12.500% * 0.1233% (0.12 1.0 0.02 0.02) = 0.123% HN GLY 92 - HB2 ARG+ 84 12.500% * 0.0521% (0.05 1.0 0.02 0.02) = 0.052% HN GLY 92 - HB3 GLU- 18 12.500% * 0.0283% (0.03 1.0 0.02 0.02) = 0.028% 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): 12 chemical-shift based assignments, quality = 0.312, support = 1.37, residual support = 1.76: HB2 LEU 67 - HB2 HIS+ 98 8.333% * 30.1567% (0.43 1.31 0.48) = 30.157% kept HB3 MET 97 - HB2 HIS+ 98 8.333% * 27.3678% (0.21 2.44 5.40) = 27.368% kept HB3 ARG+ 22 - HB2 HIS+ 98 8.333% * 14.2194% (0.24 1.08 0.83) = 14.219% kept HG LEU 23 - HB2 HIS+ 98 8.333% * 12.5768% (0.44 0.52 0.13) = 12.577% kept HB ILE 100 - HB2 HIS+ 98 8.333% * 6.7448% (0.43 0.29 0.02) = 6.745% kept HB2 HIS+ 8 - HB2 HIS+ 98 8.333% * 6.6090% (0.11 1.06 0.02) = 6.609% kept HB3 LEU 17 - HB2 HIS+ 98 8.333% * 1.1231% (0.08 0.26 0.02) = 1.123% kept HG12 ILE 101 - HB2 HIS+ 98 8.333% * 0.4613% (0.43 0.02 0.33) = 0.461% HG3 LYS+ 78 - HB2 HIS+ 98 8.333% * 0.3233% (0.30 0.02 0.02) = 0.323% HG2 LYS+ 110 - HB2 HIS+ 98 8.333% * 0.1542% (0.14 0.02 0.02) = 0.154% HG3 LYS+ 110 - HB2 HIS+ 98 8.333% * 0.1389% (0.13 0.02 0.02) = 0.139% HG3 ARG+ 84 - HB2 HIS+ 98 8.333% * 0.1246% (0.11 0.02 0.02) = 0.125% Peak 3538 (1.36, 2.91, 31.92 ppm): 11 chemical-shift based assignments, quality = 0.372, support = 1.27, residual support = 0.829: QB ALA 91 - HB2 HIS+ 98 9.091% * 21.1964% (0.46 1.40 1.15) = 21.196% kept HG3 ARG+ 22 - HB2 HIS+ 98 9.091% * 18.1667% (0.41 1.33 0.83) = 18.167% kept HG13 ILE 19 - HB2 HIS+ 98 9.091% * 17.0796% (0.40 1.29 0.88) = 17.080% kept HB3 LYS+ 20 - HB2 HIS+ 98 9.091% * 16.3088% (0.38 1.28 0.75) = 16.309% kept HG3 LYS+ 20 - HB2 HIS+ 98 9.091% * 12.7487% (0.28 1.38 0.75) = 12.749% kept HB2 LYS+ 20 - HB2 HIS+ 98 9.091% * 8.7180% (0.24 1.09 0.75) = 8.718% kept HG LEU 74 - HB2 HIS+ 98 9.091% * 5.1888% (0.24 0.64 0.02) = 5.189% kept HG2 LYS+ 78 - HB2 HIS+ 98 9.091% * 0.2439% (0.37 0.02 0.02) = 0.244% QG2 THR 39 - HB2 HIS+ 98 9.091% * 0.1848% (0.28 0.02 0.02) = 0.185% HB2 LEU 17 - HB2 HIS+ 98 9.091% * 0.1039% (0.16 0.02 0.02) = 0.104% QB ALA 11 - HB2 HIS+ 98 9.091% * 0.0603% (0.09 0.02 0.02) = 0.060% Peak 3539 (0.74, 2.91, 31.92 ppm): 9 chemical-shift based assignments, quality = 0.397, support = 1.39, residual support = 1.81: QD2 LEU 9 - HB2 HIS+ 98 11.111% * 38.3986% (0.38 1.93 2.16) = 38.399% kept QD1 LEU 9 - HB2 HIS+ 98 11.111% * 33.2487% (0.44 1.45 2.16) = 33.249% kept QD1 ILE 68 - HB2 HIS+ 98 11.111% * 15.0678% (0.38 0.76 1.76) = 15.068% kept HG3 LYS+ 66 - HB2 HIS+ 98 11.111% * 8.6848% (0.46 0.36 0.02) = 8.685% kept HG LEU 74 - HB2 HIS+ 98 11.111% * 2.7997% (0.08 0.64 0.02) = 2.800% kept HG12 ILE 100 - HB2 HIS+ 98 11.111% * 1.2208% (0.08 0.29 0.02) = 1.221% kept QG2 VAL 40 - HB2 HIS+ 98 11.111% * 0.2892% (0.28 0.02 0.02) = 0.289% HG3 LYS+ 44 - HB2 HIS+ 98 11.111% * 0.1960% (0.19 0.02 0.02) = 0.196% QG2 ILE 48 - HB2 HIS+ 98 11.111% * 0.0944% (0.09 0.02 0.02) = 0.094% 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): 10 chemical-shift based assignments, quality = 0.476, support = 1.56, residual support = 2.76: HB3 MET 97 - HB3 HIS+ 98 10.000% * 46.3454% (0.53 2.32 5.40) = 46.345% kept HB3 ARG+ 22 - HB3 HIS+ 98 10.000% * 23.1795% (0.56 1.10 0.83) = 23.180% kept HB2 LEU 67 - HB3 HIS+ 98 10.000% * 11.6478% (0.29 1.07 0.48) = 11.648% kept HG LEU 23 - HB3 HIS+ 98 10.000% * 9.7671% (0.34 0.77 0.13) = 9.767% kept HB2 HIS+ 8 - HB3 HIS+ 98 10.000% * 5.3601% (0.41 0.35 0.02) = 5.360% kept HB ILE 100 - HB3 HIS+ 98 10.000% * 2.9657% (0.29 0.27 0.02) = 2.966% kept HG3 ARG+ 84 - HB3 HIS+ 98 10.000% * 0.3065% (0.41 0.02 0.02) = 0.307% HG12 ILE 101 - HB3 HIS+ 98 10.000% * 0.2172% (0.29 0.02 0.33) = 0.217% HB3 MET 126 - HB3 HIS+ 98 10.000% * 0.1113% (0.15 0.02 0.02) = 0.111% HG3 LYS+ 78 - HB3 HIS+ 98 10.000% * 0.0994% (0.13 0.02 0.02) = 0.099% Peak 3542 (1.36, 3.15, 31.92 ppm): 11 chemical-shift based assignments, quality = 0.478, support = 1.01, residual support = 0.815: QB ALA 91 - HB3 HIS+ 98 9.091% * 22.8568% (0.59 1.21 1.15) = 22.857% kept HB3 LYS+ 20 - HB3 HIS+ 98 9.091% * 19.0570% (0.50 1.19 0.75) = 19.057% kept HG3 ARG+ 22 - HB3 HIS+ 98 9.091% * 15.8051% (0.53 0.92 0.83) = 15.805% kept HG13 ILE 19 - HB3 HIS+ 98 9.091% * 13.2410% (0.52 0.80 0.88) = 13.241% kept HG3 LYS+ 20 - HB3 HIS+ 98 9.091% * 12.5427% (0.36 1.08 0.75) = 12.543% kept HB2 LYS+ 20 - HB3 HIS+ 98 9.091% * 8.8453% (0.31 0.88 0.75) = 8.845% kept HG LEU 74 - HB3 HIS+ 98 9.091% * 6.9075% (0.32 0.68 0.02) = 6.908% kept HG2 LYS+ 78 - HB3 HIS+ 98 9.091% * 0.3063% (0.48 0.02 0.02) = 0.306% QG2 THR 39 - HB3 HIS+ 98 9.091% * 0.2320% (0.36 0.02 0.02) = 0.232% HB2 LEU 17 - HB3 HIS+ 98 9.091% * 0.1305% (0.20 0.02 0.02) = 0.130% QB ALA 11 - HB3 HIS+ 98 9.091% * 0.0757% (0.12 0.02 0.02) = 0.076% Peak 3543 (0.74, 3.15, 31.92 ppm): 9 chemical-shift based assignments, quality = 0.514, support = 1.14, residual support = 1.74: QD2 LEU 9 - HB3 HIS+ 98 11.111% * 37.0542% (0.50 1.64 2.16) = 37.054% kept QD1 LEU 9 - HB3 HIS+ 98 11.111% * 28.0488% (0.58 1.07 2.16) = 28.049% kept QD1 ILE 68 - HB3 HIS+ 98 11.111% * 19.0775% (0.50 0.84 1.76) = 19.077% kept HG3 LYS+ 66 - HB3 HIS+ 98 11.111% * 11.6876% (0.60 0.43 0.02) = 11.688% kept HG LEU 74 - HB3 HIS+ 98 11.111% * 3.3774% (0.11 0.68 0.02) = 3.377% kept QG2 VAL 40 - HB3 HIS+ 98 11.111% * 0.3291% (0.36 0.02 0.02) = 0.329% HG3 LYS+ 44 - HB3 HIS+ 98 11.111% * 0.2231% (0.25 0.02 0.02) = 0.223% QG2 ILE 48 - HB3 HIS+ 98 11.111% * 0.1074% (0.12 0.02 0.02) = 0.107% HG12 ILE 100 - HB3 HIS+ 98 11.111% * 0.0950% (0.10 0.02 0.02) = 0.095% Peak 3544 (4.92, 3.15, 31.92 ppm): 4 chemical-shift based assignments, quality = 0.561, support = 3.4, residual support = 27.2: O HA HIS+ 98 - HB3 HIS+ 98 25.000% * 99.3920% (0.56 10.0 3.42 27.32) = 99.392% kept HA ALA 33 - HB3 HIS+ 98 25.000% * 0.5052% (0.50 1.0 0.12 0.02) = 0.505% HA GLN 102 - HB3 HIS+ 98 25.000% * 0.0878% (0.50 1.0 0.02 0.02) = 0.088% HA ASN 89 - HB3 HIS+ 98 25.000% * 0.0150% (0.09 1.0 0.02 0.02) = 0.015% Peak 3545 (8.31, 3.15, 31.92 ppm): 8 chemical-shift based assignments, quality = 0.506, support = 2.33, residual support = 7.36: HN VAL 99 - HB3 HIS+ 98 12.500% * 57.4675% (0.53 3.26 11.83) = 57.467% kept HN ALA 91 - HB3 HIS+ 98 12.500% * 22.7622% (0.53 1.29 1.15) = 22.762% kept HN LEU 9 - HB3 HIS+ 98 12.500% * 14.0775% (0.46 0.94 2.16) = 14.078% kept HN HIS+ 8 - HB3 HIS+ 98 12.500% * 5.0569% (0.25 0.63 0.02) = 5.057% kept HN ASN 76 - HB3 HIS+ 98 12.500% * 0.2226% (0.34 0.02 0.02) = 0.223% HN GLY 114 - HB3 HIS+ 98 12.500% * 0.1763% (0.27 0.02 0.02) = 0.176% HN ASP- 28 - HB3 HIS+ 98 12.500% * 0.1763% (0.27 0.02 0.02) = 0.176% HN ASN 89 - HB3 HIS+ 98 12.500% * 0.0607% (0.09 0.02 0.02) = 0.061% Peak 3546 (9.46, 3.15, 31.92 ppm): 1 chemical-shift based assignment, quality = 0.456, support = 3.02, residual support = 27.3: O HN HIS+ 98 - HB3 HIS+ 98 100.000% *100.0000% (0.46 10.0 3.02 27.32) = 100.000% kept Peak 3547 (4.92, 2.91, 31.92 ppm): 4 chemical-shift based assignments, quality = 0.433, support = 3.37, residual support = 27.2: O HA HIS+ 98 - HB2 HIS+ 98 25.000% * 99.3920% (0.44 10.0 3.39 27.32) = 99.392% kept HA ALA 33 - HB2 HIS+ 98 25.000% * 0.5052% (0.38 1.0 0.12 0.02) = 0.505% HA GLN 102 - HB2 HIS+ 98 25.000% * 0.0878% (0.38 1.0 0.02 0.02) = 0.088% HA ASN 89 - HB2 HIS+ 98 25.000% * 0.0150% (0.07 1.0 0.02 0.02) = 0.015% Peak 3548 (8.31, 2.91, 31.92 ppm): 8 chemical-shift based assignments, quality = 0.393, support = 2.35, residual support = 7.03: HN VAL 99 - HB2 HIS+ 98 12.500% * 53.8133% (0.41 3.25 11.83) = 53.813% kept HN ALA 91 - HB2 HIS+ 98 12.500% * 24.7241% (0.41 1.49 1.15) = 24.724% kept HN LEU 9 - HB2 HIS+ 98 12.500% * 17.6444% (0.35 1.25 2.16) = 17.644% kept HN HIS+ 8 - HB2 HIS+ 98 12.500% * 3.2216% (0.19 0.42 0.02) = 3.222% kept HN ASN 76 - HB2 HIS+ 98 12.500% * 0.2089% (0.26 0.02 0.02) = 0.209% HN GLY 114 - HB2 HIS+ 98 12.500% * 0.1654% (0.21 0.02 0.02) = 0.165% HN ASP- 28 - HB2 HIS+ 98 12.500% * 0.1654% (0.21 0.02 0.02) = 0.165% HN ASN 89 - HB2 HIS+ 98 12.500% * 0.0569% (0.07 0.02 0.02) = 0.057% Peak 3549 (9.47, 2.91, 31.92 ppm): 2 chemical-shift based assignments, quality = 0.461, support = 2.97, residual support = 27.3: O HN HIS+ 98 - HB2 HIS+ 98 50.000% * 99.9777% (0.46 10.0 2.97 27.32) = 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): 15 chemical-shift based assignments, quality = 0.333, support = 2.45, residual support = 30.3: O HA TRP 51 - HB2 TRP 51 6.667% * 56.7393% (0.14 10.0 3.13 50.19) = 56.739% kept HA ASN 89 - HB2 TRP 51 6.667% * 27.7668% (0.62 1.0 2.16 4.28) = 27.767% kept HB3 HIS+ 4 - HB2 TRP 51 6.667% * 9.2849% (0.60 1.0 0.75 7.08) = 9.285% kept HA HIS+ 3 - HB2 TRP 51 6.667% * 3.7277% (0.75 1.0 0.24 0.02) = 3.728% kept HA1 GLY 26 - HB2 TRP 51 6.667% * 0.3233% (0.78 1.0 0.02 0.02) = 0.323% HA VAL 73 - HB2 TRP 51 6.667% * 0.3217% (0.77 1.0 0.02 0.02) = 0.322% HA MET 1 - HB2 TRP 51 6.667% * 0.3211% (0.77 1.0 0.02 0.02) = 0.321% HA LYS+ 117 - HB2 TRP 51 6.667% * 0.3065% (0.74 1.0 0.02 0.02) = 0.306% HA2 GLY 26 - HB2 TRP 51 6.667% * 0.2810% (0.68 1.0 0.02 0.02) = 0.281% HB THR 61 - HB2 TRP 51 6.667% * 0.1965% (0.47 1.0 0.02 0.02) = 0.197% HA THR 38 - HB2 TRP 51 6.667% * 0.1834% (0.44 1.0 0.02 0.02) = 0.183% HA VAL 94 - HB2 TRP 51 6.667% * 0.1705% (0.41 1.0 0.02 0.02) = 0.170% HA LYS+ 60 - HB2 TRP 51 6.667% * 0.1453% (0.35 1.0 0.02 0.02) = 0.145% HA ALA 37 - HB2 TRP 51 6.667% * 0.1216% (0.29 1.0 0.02 0.02) = 0.122% HA ASN 57 - HB2 TRP 51 6.667% * 0.1105% (0.27 1.0 0.02 0.02) = 0.111% Peak 3553 (7.50, 3.04, 29.47 ppm): 2 chemical-shift based assignments, quality = 0.699, support = 2.53, residual support = 50.2: O HE3 TRP 51 - HB2 TRP 51 50.000% * 99.9722% (0.70 10.0 2.53 50.19) = 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): 2 chemical-shift based assignments, quality = 0.451, support = 1.87, residual support = 6.98: HE3 TRP 51 - HB2 HIS+ 4 50.000% * 98.6178% (0.45 1.90 7.08) = 98.618% kept HN ASP- 82 - HB2 HIS+ 4 50.000% * 1.3822% (0.60 0.02 0.02) = 1.382% kept Peak 3555 (4.37, 3.70, 29.45 ppm): 16 chemical-shift based assignments, quality = 0.833, support = 1.15, residual support = 4.93: O HB3 HIS+ 4 - HB2 HIS+ 4 6.250% * 80.4420% (0.92 10.0 1.00 4.81) = 80.442% kept HA TRP 51 - HB2 HIS+ 4 6.250% * 9.9001% (0.49 1.0 2.34 7.08) = 9.900% kept HA HIS+ 3 - HB2 HIS+ 4 6.250% * 7.5475% (0.56 1.0 1.55 4.74) = 7.548% kept HA VAL 73 - HB2 HIS+ 4 6.250% * 0.7841% (0.92 1.0 0.10 0.02) = 0.784% HA2 GLY 26 - HB2 HIS+ 4 6.250% * 0.1577% (0.90 1.0 0.02 0.02) = 0.158% HA THR 38 - HB2 HIS+ 4 6.250% * 0.1522% (0.87 1.0 0.02 0.02) = 0.152% HA LYS+ 117 - HB2 HIS+ 4 6.250% * 0.1485% (0.85 1.0 0.02 0.02) = 0.149% HA LYS+ 60 - HB2 HIS+ 4 6.250% * 0.1396% (0.80 1.0 0.02 0.02) = 0.140% HA MET 1 - HB2 HIS+ 4 6.250% * 0.1344% (0.77 1.0 0.02 0.02) = 0.134% HA ALA 37 - HB2 HIS+ 4 6.250% * 0.1288% (0.74 1.0 0.02 0.02) = 0.129% HA ASN 89 - HB2 HIS+ 4 6.250% * 0.1255% (0.72 1.0 0.02 0.02) = 0.126% HA ASN 57 - HB2 HIS+ 4 6.250% * 0.1230% (0.71 1.0 0.02 0.02) = 0.123% HA1 GLY 26 - HB2 HIS+ 4 6.250% * 0.1168% (0.67 1.0 0.02 0.02) = 0.117% HB THR 61 - HB2 HIS+ 4 6.250% * 0.0358% (0.21 1.0 0.02 0.02) = 0.036% HA SER 88 - HB2 HIS+ 4 6.250% * 0.0358% (0.21 1.0 0.02 0.02) = 0.036% HA VAL 94 - HB2 HIS+ 4 6.250% * 0.0282% (0.16 1.0 0.02 0.02) = 0.028% Peak 3556 (8.23, 2.24, 29.25 ppm): 12 chemical-shift based assignments, quality = 0.446, support = 2.48, residual support = 3.13: HN SER 49 - HB2 GLU- 50 8.333% * 36.1027% (0.53 2.32 3.78) = 36.103% kept HN GLY 58 - HB2 GLU- 50 8.333% * 32.7812% (0.46 2.43 2.60) = 32.781% kept HN GLU- 45 - HB2 GLU- 50 8.333% * 29.2811% (0.35 2.87 3.14) = 29.281% kept HN VAL 94 - HB2 GLU- 50 8.333% * 0.2919% (0.50 0.02 0.02) = 0.292% HN VAL 105 - HB2 GLU- 50 8.333% * 0.2810% (0.48 0.02 0.02) = 0.281% HN MET 118 - HB2 GLU- 50 8.333% * 0.2443% (0.42 0.02 0.02) = 0.244% HN LYS+ 81 - HB2 GLU- 50 8.333% * 0.2311% (0.40 0.02 0.02) = 0.231% HN ALA 11 - HB2 GLU- 50 8.333% * 0.2311% (0.40 0.02 0.02) = 0.231% HN LEU 67 - HB2 GLU- 50 8.333% * 0.2311% (0.40 0.02 0.02) = 0.231% HN GLU- 12 - HB2 GLU- 50 8.333% * 0.1905% (0.33 0.02 0.02) = 0.190% HN LYS+ 117 - HB2 GLU- 50 8.333% * 0.0749% (0.13 0.02 0.02) = 0.075% HN THR 106 - HB2 GLU- 50 8.333% * 0.0589% (0.10 0.02 0.02) = 0.059% Peak 3557 (7.79, 2.24, 29.25 ppm): 4 chemical-shift based assignments, quality = 0.519, support = 1.06, residual support = 0.528: HN THR 46 - HB2 GLU- 50 25.000% * 68.4801% (0.55 1.36 0.70) = 68.480% kept HN VAL 87 - HB2 GLU- 50 25.000% * 22.2408% (0.56 0.43 0.20) = 22.241% kept HN LYS+ 55 - HB2 GLU- 50 25.000% * 8.4284% (0.26 0.35 0.02) = 8.428% kept HN ALA 93 - HB2 GLU- 50 25.000% * 0.8507% (0.46 0.02 0.02) = 0.851% Peak 3558 (7.79, 2.04, 29.25 ppm): 8 chemical-shift based assignments, quality = 0.796, support = 3.09, residual support = 9.49: HN THR 46 - HB3 GLU- 45 12.500% * 36.1600% (0.83 4.12 13.41) = 36.160% kept HN THR 46 - HB2 GLU- 45 12.500% * 33.8646% (0.81 3.97 13.41) = 33.865% kept HN VAL 87 - HB2 GLU- 45 12.500% * 8.6504% (0.83 0.99 0.10) = 8.650% kept HN ALA 93 - HB3 GLU- 45 12.500% * 7.0141% (0.71 0.95 0.64) = 7.014% kept HN ALA 93 - HB2 GLU- 45 12.500% * 6.8139% (0.69 0.94 0.64) = 6.814% kept HN VAL 87 - HB3 GLU- 45 12.500% * 4.5634% (0.85 0.51 0.10) = 4.563% kept HN LYS+ 55 - HB3 GLU- 45 12.500% * 1.7020% (0.40 0.41 0.02) = 1.702% kept HN LYS+ 55 - HB2 GLU- 45 12.500% * 1.2318% (0.39 0.30 0.02) = 1.232% kept Peak 3559 (4.23, 2.04, 29.25 ppm): 40 chemical-shift based assignments, quality = 0.588, support = 1.61, residual support = 3.97: HA ASN 89 - HB2 GLU- 45 2.500% * 29.5514% (0.79 1.72 3.00) = 29.551% kept HA ASN 89 - HB3 GLU- 45 2.500% * 24.5569% (0.81 1.39 3.00) = 24.557% kept HA LYS+ 44 - HB3 GLU- 45 2.500% * 10.4607% (0.14 3.46 11.32) = 10.461% kept HA LYS+ 44 - HB2 GLU- 45 2.500% * 10.2118% (0.14 3.47 11.32) = 10.212% kept HA SER 49 - HB2 GLU- 45 2.500% * 5.2288% (0.86 0.28 0.02) = 5.229% kept HA SER 49 - HB3 GLU- 45 2.500% * 4.1982% (0.88 0.22 0.02) = 4.198% kept HA PRO 59 - HB3 GLU- 45 2.500% * 3.2639% (0.61 0.25 0.02) = 3.264% kept HA ALA 11 - HB2 GLU- 45 2.500% * 2.9187% (0.39 0.35 0.23) = 2.919% kept HB3 SER 49 - HB2 GLU- 45 2.500% * 2.0867% (0.59 0.16 0.02) = 2.087% kept HA GLU- 12 - HB2 GLU- 45 2.500% * 0.9940% (0.56 0.08 0.02) = 0.994% HA GLU- 54 - HB3 GLU- 45 2.500% * 0.3822% (0.88 0.02 0.02) = 0.382% HA GLU- 18 - HB3 GLU- 45 2.500% * 0.3797% (0.87 0.02 0.02) = 0.380% HA GLU- 54 - HB2 GLU- 45 2.500% * 0.3723% (0.86 0.02 0.02) = 0.372% HA GLU- 18 - HB2 GLU- 45 2.500% * 0.3699% (0.85 0.02 0.02) = 0.370% HA HIS+ 8 - HB3 GLU- 45 2.500% * 0.3697% (0.85 0.02 0.02) = 0.370% HA HIS+ 8 - HB2 GLU- 45 2.500% * 0.3601% (0.83 0.02 0.02) = 0.360% HA ALA 42 - HB3 GLU- 45 2.500% * 0.2928% (0.67 0.02 0.02) = 0.293% HA ALA 42 - HB2 GLU- 45 2.500% * 0.2852% (0.66 0.02 0.02) = 0.285% HA LYS+ 110 - HB3 GLU- 45 2.500% * 0.2782% (0.64 0.02 0.02) = 0.278% HA LYS+ 110 - HB2 GLU- 45 2.500% * 0.2710% (0.62 0.02 0.02) = 0.271% HB3 SER 49 - HB3 GLU- 45 2.500% * 0.2631% (0.61 0.02 0.02) = 0.263% HA PRO 59 - HB2 GLU- 45 2.500% * 0.2563% (0.59 0.02 0.02) = 0.256% HA LYS+ 108 - HB3 GLU- 45 2.500% * 0.2478% (0.57 0.02 0.02) = 0.248% HA GLU- 12 - HB3 GLU- 45 2.500% * 0.2478% (0.57 0.02 0.02) = 0.248% HA LYS+ 108 - HB2 GLU- 45 2.500% * 0.2414% (0.56 0.02 0.02) = 0.241% HA HIS+ 4 - HB3 GLU- 45 2.500% * 0.1865% (0.43 0.02 0.02) = 0.186% HA HIS+ 4 - HB2 GLU- 45 2.500% * 0.1816% (0.42 0.02 0.02) = 0.182% HA ALA 11 - HB3 GLU- 45 2.500% * 0.1718% (0.40 0.02 0.23) = 0.172% HA VAL 73 - HB3 GLU- 45 2.500% * 0.1554% (0.36 0.02 0.02) = 0.155% HA VAL 73 - HB2 GLU- 45 2.500% * 0.1514% (0.35 0.02 0.02) = 0.151% HA2 GLY 114 - HB3 GLU- 45 2.500% * 0.1438% (0.33 0.02 0.02) = 0.144% HA2 GLY 114 - HB2 GLU- 45 2.500% * 0.1401% (0.32 0.02 0.02) = 0.140% HB3 HIS+ 14 - HB3 GLU- 45 2.500% * 0.1307% (0.30 0.02 0.02) = 0.131% HB3 HIS+ 14 - HB2 GLU- 45 2.500% * 0.1273% (0.29 0.02 0.02) = 0.127% HA GLU- 109 - HB3 GLU- 45 2.500% * 0.1065% (0.25 0.02 0.02) = 0.107% HA GLU- 56 - HB3 GLU- 45 2.500% * 0.1065% (0.25 0.02 0.62) = 0.107% HA GLU- 56 - HB2 GLU- 45 2.500% * 0.1038% (0.24 0.02 0.62) = 0.104% HA GLU- 109 - HB2 GLU- 45 2.500% * 0.1038% (0.24 0.02 0.02) = 0.104% HA GLU- 75 - HB3 GLU- 45 2.500% * 0.0518% (0.12 0.02 0.02) = 0.052% HA GLU- 75 - HB2 GLU- 45 2.500% * 0.0505% (0.12 0.02 0.02) = 0.051% Peak 3560 (3.85, 2.04, 29.25 ppm): 22 chemical-shift based assignments, quality = 0.654, support = 1.67, residual support = 4.55: T HB3 SER 88 - HB2 GLU- 45 4.545% * 28.2209% (0.72 10.00 0.41 0.02) = 28.221% kept HA LYS+ 44 - HB3 GLU- 45 4.545% * 17.1673% (0.52 1.00 3.46 11.32) = 17.167% kept HA LYS+ 44 - HB2 GLU- 45 4.545% * 16.7588% (0.50 1.00 3.47 11.32) = 16.759% kept HA ASN 89 - HB2 GLU- 45 4.545% * 12.7086% (0.77 1.00 1.72 3.00) = 12.709% kept HA ASN 89 - HB3 GLU- 45 4.545% * 10.5607% (0.79 1.00 1.39 3.00) = 10.561% kept T HB3 SER 88 - HB3 GLU- 45 4.545% * 9.2707% (0.74 10.00 0.13 0.02) = 9.271% kept T HD3 PRO 86 - HB3 GLU- 45 4.545% * 1.6784% (0.87 10.00 0.02 0.02) = 1.678% kept T HD3 PRO 86 - HB2 GLU- 45 4.545% * 1.6349% (0.85 10.00 0.02 0.02) = 1.635% kept HA VAL 87 - HB2 GLU- 45 4.545% * 0.5301% (0.62 1.00 0.09 0.10) = 0.530% HA ILE 48 - HB2 GLU- 45 4.545% * 0.3561% (0.42 1.00 0.09 0.02) = 0.356% T HD2 PRO 116 - HB3 GLU- 45 4.545% * 0.2613% (0.14 10.00 0.02 0.02) = 0.261% T HD2 PRO 116 - HB2 GLU- 45 4.545% * 0.2545% (0.13 10.00 0.02 0.02) = 0.255% HA VAL 87 - HB3 GLU- 45 4.545% * 0.1230% (0.64 1.00 0.02 0.10) = 0.123% HA ILE 48 - HB3 GLU- 45 4.545% * 0.0827% (0.43 1.00 0.02 0.02) = 0.083% HB2 SER 85 - HB3 GLU- 45 4.545% * 0.0696% (0.36 1.00 0.02 0.02) = 0.070% HB2 SER 85 - HB2 GLU- 45 4.545% * 0.0678% (0.35 1.00 0.02 0.02) = 0.068% HA VAL 13 - HB3 GLU- 45 4.545% * 0.0578% (0.30 1.00 0.02 0.02) = 0.058% HA VAL 13 - HB2 GLU- 45 4.545% * 0.0563% (0.29 1.00 0.02 0.02) = 0.056% HA2 GLY 92 - HB3 GLU- 45 4.545% * 0.0377% (0.20 1.00 0.02 0.02) = 0.038% HA2 GLY 92 - HB2 GLU- 45 4.545% * 0.0367% (0.19 1.00 0.02 0.02) = 0.037% HA VAL 125 - HB3 GLU- 45 4.545% * 0.0335% (0.17 1.00 0.02 0.02) = 0.034% HA VAL 125 - HB2 GLU- 45 4.545% * 0.0326% (0.17 1.00 0.02 0.02) = 0.033% Peak 3561 (4.24, 2.24, 29.25 ppm): 21 chemical-shift based assignments, quality = 0.419, support = 1.33, residual support = 2.68: HA SER 49 - HB2 GLU- 50 4.762% * 33.8585% (0.42 2.07 3.78) = 33.858% kept HA ASN 89 - HB2 GLU- 50 4.762% * 26.4786% (0.53 1.29 3.94) = 26.479% kept HA PRO 59 - HB2 GLU- 50 4.762% * 14.3029% (0.57 0.64 0.02) = 14.303% kept HB3 SER 49 - HB2 GLU- 50 4.762% * 9.3915% (0.16 1.50 3.78) = 9.391% kept HA GLU- 54 - HB2 GLU- 50 4.762% * 6.9813% (0.46 0.39 0.02) = 6.981% kept HD3 PRO 59 - HB2 GLU- 50 4.762% * 2.7383% (0.08 0.90 0.02) = 2.738% kept HA GLU- 56 - HB2 GLU- 50 4.762% * 1.3768% (0.40 0.09 0.02) = 1.377% kept HA SER 85 - HB2 GLU- 50 4.762% * 1.3170% (0.08 0.43 0.02) = 1.317% kept HA LYS+ 110 - HB2 GLU- 50 4.762% * 0.7319% (0.18 0.11 0.02) = 0.732% HA LYS+ 108 - HB2 GLU- 50 4.762% * 0.4410% (0.56 0.02 0.02) = 0.441% HA HIS+ 4 - HB2 GLU- 50 4.762% * 0.4035% (0.52 0.02 0.11) = 0.403% HA HIS+ 8 - HB2 GLU- 50 4.762% * 0.4035% (0.52 0.02 0.02) = 0.403% HA2 GLY 114 - HB2 GLU- 50 4.762% * 0.3602% (0.46 0.02 0.02) = 0.360% HA GLU- 18 - HB2 GLU- 50 4.762% * 0.3090% (0.40 0.02 0.10) = 0.309% HA VAL 73 - HB2 GLU- 50 4.762% * 0.2102% (0.27 0.02 0.02) = 0.210% HA GLU- 75 - HB2 GLU- 50 4.762% * 0.2017% (0.26 0.02 0.02) = 0.202% HA ALA 42 - HB2 GLU- 50 4.762% * 0.1535% (0.20 0.02 0.02) = 0.153% HA GLU- 12 - HB2 GLU- 50 4.762% * 0.1122% (0.14 0.02 0.02) = 0.112% HA ARG+ 84 - HB2 GLU- 50 4.762% * 0.0890% (0.11 0.02 0.02) = 0.089% HA VAL 65 - HB2 GLU- 50 4.762% * 0.0788% (0.10 0.02 0.02) = 0.079% HA PRO 52 - HB2 GLU- 50 4.762% * 0.0609% (0.08 0.02 0.02) = 0.061% Peak 3562 (3.86, 2.24, 29.25 ppm): 11 chemical-shift based assignments, quality = 0.392, support = 1.26, residual support = 0.564: T HA LYS+ 44 - HB2 GLU- 50 9.091% * 69.3229% (0.37 10.00 1.38 0.25) = 69.323% kept HA ASN 89 - HB2 GLU- 50 9.091% * 9.2132% (0.52 1.00 1.29 3.94) = 9.213% kept HA ILE 48 - HB2 GLU- 50 9.091% * 5.6434% (0.25 1.00 1.62 0.33) = 5.643% kept HA VAL 87 - HB2 GLU- 50 9.091% * 5.2333% (0.57 1.00 0.67 0.20) = 5.233% kept HB3 SER 88 - HB2 GLU- 50 9.091% * 3.3424% (0.57 1.00 0.43 0.02) = 3.342% kept HD3 PRO 86 - HB2 GLU- 50 9.091% * 2.8233% (0.40 1.00 0.52 0.02) = 2.823% kept HD2 PRO 86 - HB2 GLU- 50 9.091% * 2.4628% (0.24 1.00 0.76 0.02) = 2.463% kept HB2 SER 85 - HB2 GLU- 50 9.091% * 1.7709% (0.48 1.00 0.27 0.02) = 1.771% kept HA VAL 125 - HB2 GLU- 50 9.091% * 0.0891% (0.33 1.00 0.02 0.02) = 0.089% HD2 PRO 116 - HB2 GLU- 50 9.091% * 0.0766% (0.28 1.00 0.02 0.02) = 0.077% HB3 SER 77 - HB2 GLU- 50 9.091% * 0.0221% (0.08 1.00 0.02 0.02) = 0.022% Peak 3563 (8.57, 4.04, 70.02 ppm): 4 chemical-shift based assignments, quality = 0.372, support = 1.77, residual support = 4.15: HN THR 39 - HB THR 38 25.000% * 46.5411% (0.35 2.36 7.52) = 46.541% kept HN VAL 73 - HB THR 38 25.000% * 32.2124% (0.41 1.41 0.86) = 32.212% kept HN VAL 80 - HB THR 38 25.000% * 21.1285% (0.37 1.03 1.75) = 21.129% kept HN LYS+ 20 - HB THR 38 25.000% * 0.1180% (0.11 0.02 0.02) = 0.118% Peak 3564 (0.69, 3.92, 69.47 ppm): 9 chemical-shift based assignments, quality = 0.271, support = 1.49, residual support = 3.31: QD1 ILE 19 - HB THR 96 11.111% * 29.8417% (0.28 1.94 4.44) = 29.842% kept HG12 ILE 19 - HB THR 96 11.111% * 23.2053% (0.26 1.67 4.44) = 23.205% kept QG2 VAL 94 - HB THR 96 11.111% * 20.5982% (0.27 1.42 3.85) = 20.598% kept HB2 LEU 9 - HB THR 96 11.111% * 17.4935% (0.28 1.17 0.95) = 17.493% kept HG LEU 67 - HB THR 96 11.111% * 4.2502% (0.28 0.28 0.02) = 4.250% kept HG2 PRO 59 - HB THR 96 11.111% * 4.1326% (0.28 0.28 0.02) = 4.133% kept QG2 ILE 101 - HB THR 96 11.111% * 0.2023% (0.19 0.02 0.02) = 0.202% QG2 ILE 48 - HB THR 96 11.111% * 0.1624% (0.15 0.02 0.02) = 0.162% QG1 VAL 62 - HB THR 96 11.111% * 0.1138% (0.11 0.02 0.02) = 0.114% Peak 3565 (2.73, 1.38, 29.95 ppm): 6 chemical-shift based assignments, quality = 0.677, support = 1.83, residual support = 17.0: O HE3 LYS+ 20 - HD3 LYS+ 20 16.667% * 82.8091% (0.65 10.0 1.84 19.76) = 82.809% kept HB3 PHE 21 - HD3 LYS+ 20 16.667% * 12.0281% (0.81 1.0 2.16 5.20) = 12.028% kept HA1 GLY 58 - HD3 LYS+ 20 16.667% * 4.8940% (0.82 1.0 0.87 0.12) = 4.894% kept HB3 ASP- 115 - HD3 LYS+ 20 16.667% * 0.1175% (0.85 1.0 0.02 0.17) = 0.118% HB3 HIS+ 6 - HD3 LYS+ 20 16.667% * 0.0941% (0.68 1.0 0.02 0.02) = 0.094% HB2 HIS+ 5 - HD3 LYS+ 20 16.667% * 0.0572% (0.42 1.0 0.02 0.02) = 0.057% Peak 3567 (2.74, 1.41, 29.99 ppm): 14 chemical-shift based assignments, quality = 0.782, support = 1.83, residual support = 17.6: O HE3 LYS+ 20 - HD3 LYS+ 20 7.143% * 86.8228% (0.79 10.0 1.84 19.76) = 86.823% kept HB3 PHE 21 - HD3 LYS+ 20 7.143% * 8.9165% (0.70 1.0 2.16 5.20) = 8.917% kept HA1 GLY 58 - HD3 LYS+ 20 7.143% * 3.9024% (0.76 1.0 0.87 0.12) = 3.902% kept HB2 HIS+ 5 - HD3 LYS+ 20 7.143% * 0.0899% (0.76 1.0 0.02 0.02) = 0.090% HB3 ASP- 115 - HD3 LYS+ 20 7.143% * 0.0653% (0.55 1.0 0.02 0.17) = 0.065% HB3 ASN 15 - HD3 LYS+ 20 7.143% * 0.0324% (0.27 1.0 0.02 0.27) = 0.032% HB3 HIS+ 6 - HD3 LYS+ 20 7.143% * 0.0293% (0.25 1.0 0.02 0.02) = 0.029% HE3 LYS+ 20 - HD3 LYS+ 113 7.143% * 0.0275% (0.23 1.0 0.02 0.02) = 0.028% HB2 HIS+ 5 - HD3 LYS+ 113 7.143% * 0.0263% (0.22 1.0 0.02 0.02) = 0.026% HA1 GLY 58 - HD3 LYS+ 113 7.143% * 0.0263% (0.22 1.0 0.02 0.02) = 0.026% HB3 PHE 21 - HD3 LYS+ 113 7.143% * 0.0241% (0.20 1.0 0.02 0.02) = 0.024% HB3 ASP- 115 - HD3 LYS+ 113 7.143% * 0.0191% (0.16 1.0 0.02 0.02) = 0.019% HB3 ASN 15 - HD3 LYS+ 113 7.143% * 0.0095% (0.08 1.0 0.02 0.02) = 0.009% HB3 HIS+ 6 - HD3 LYS+ 113 7.143% * 0.0086% (0.07 1.0 0.02 0.02) = 0.009% Peak 3568 (9.53, 1.94, 32.81 ppm): 6 chemical-shift based assignments, quality = 0.18, support = 0.454, residual support = 0.247: HE1 TRP 51 - HB3 LYS+ 55 16.667% * 91.0120% (0.19 0.50 0.23) = 91.012% kept HE1 TRP 51 - HB3 PRO 35 16.667% * 3.3553% (0.17 0.02 0.02) = 3.355% kept HE1 TRP 51 - HB VAL 13 16.667% * 2.0279% (0.10 0.02 1.62) = 2.028% kept HE1 TRP 51 - HB VAL 122 16.667% * 1.8710% (0.10 0.02 0.02) = 1.871% kept HE1 TRP 51 - HB2 PRO 116 16.667% * 1.1774% (0.06 0.02 0.02) = 1.177% kept HE1 TRP 51 - HB3 MET 118 16.667% * 0.5564% (0.03 0.02 0.02) = 0.556% Not enough quality. Peak unassigned. Peak 3569 (9.53, 1.78, 32.81 ppm): 4 chemical-shift based assignments, quality = 0.187, support = 0.103, residual support = 0.02: HE1 TRP 51 - HB2 LYS+ 117 25.000% * 45.9958% (0.19 0.11 0.02) = 45.996% kept HE1 TRP 51 - HB3 LYS+ 117 25.000% * 42.6723% (0.18 0.11 0.02) = 42.672% kept HE1 TRP 51 - HB3 LYS+ 63 25.000% * 8.8643% (0.21 0.02 0.02) = 8.864% kept HE1 TRP 51 - HB3 PRO 116 25.000% * 2.4675% (0.06 0.02 0.02) = 2.468% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3570 (7.41, 1.79, 32.50 ppm): 8 chemical-shift based assignments, quality = 0.372, support = 1.35, residual support = 3.43: HN GLU- 64 - HB3 LYS+ 63 12.500% * 43.1288% (0.36 2.33 7.34) = 43.129% kept HN GLU- 64 - HB3 PRO 116 12.500% * 17.0386% (0.55 0.60 0.02) = 17.039% kept HN GLU- 64 - HB2 LYS+ 117 12.500% * 12.6152% (0.31 0.80 0.33) = 12.615% kept HN GLU- 64 - HB3 LYS+ 117 12.500% * 12.0838% (0.29 0.80 0.33) = 12.084% kept HN THR 61 - HB3 LYS+ 63 12.500% * 6.7576% (0.38 0.34 2.68) = 6.758% kept HN THR 61 - HB2 LYS+ 117 12.500% * 3.9553% (0.33 0.23 0.02) = 3.955% kept HN THR 61 - HB3 LYS+ 117 12.500% * 3.8148% (0.31 0.23 0.02) = 3.815% kept HN THR 61 - HB3 PRO 116 12.500% * 0.6059% (0.59 0.02 0.02) = 0.606% 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): 84 chemical-shift based assignments, quality = 0.191, support = 1.91, residual support = 3.64: O HN VAL 105 - HB2 PRO 104 1.190% * 61.5290% (0.15 10.0 2.64 5.82) = 61.529% kept HN GLY 58 - HB2 PRO 59 1.190% * 7.4294% (0.40 1.0 0.91 0.02) = 7.429% kept HN GLY 58 - HB3 PRO 59 1.190% * 6.9358% (0.37 1.0 0.91 0.02) = 6.936% kept HN THR 106 - HB2 PRO 104 1.190% * 4.6755% (0.19 1.0 1.19 0.14) = 4.676% kept HN SER 49 - HB2 PRO 104 1.190% * 4.4627% (0.35 1.0 0.63 0.02) = 4.463% kept HN VAL 94 - HB3 PRO 59 1.190% * 2.6824% (0.17 1.0 0.78 0.85) = 2.682% kept HN VAL 94 - HB2 PRO 59 1.190% * 2.4890% (0.18 1.0 0.68 0.85) = 2.489% kept HN MET 118 - HB3 LYS+ 117 1.190% * 2.1961% (0.14 1.0 0.75 0.02) = 2.196% kept HN MET 118 - HB2 LYS+ 117 1.190% * 1.8621% (0.12 1.0 0.75 0.02) = 1.862% kept HN LYS+ 81 - HB2 PRO 104 1.190% * 1.0575% (0.36 1.0 0.14 0.02) = 1.057% kept HN LEU 67 - HB2 PRO 104 1.190% * 0.6170% (0.36 1.0 0.08 0.02) = 0.617% HN MET 118 - HB2 PRO 59 1.190% * 0.1634% (0.40 1.0 0.02 0.02) = 0.163% HN LYS+ 81 - HB2 PRO 59 1.190% * 0.1623% (0.40 1.0 0.02 0.02) = 0.162% HN LEU 67 - HB2 PRO 59 1.190% * 0.1623% (0.40 1.0 0.02 0.02) = 0.162% HN GLU- 12 - HB2 PRO 59 1.190% * 0.1549% (0.38 1.0 0.02 0.02) = 0.155% HN SER 49 - HB2 PRO 59 1.190% * 0.1549% (0.38 1.0 0.02 0.02) = 0.155% HN MET 118 - HB3 PRO 59 1.190% * 0.1525% (0.37 1.0 0.02 0.02) = 0.153% HN LEU 67 - HB3 PRO 59 1.190% * 0.1515% (0.37 1.0 0.02 0.02) = 0.152% HN LYS+ 81 - HB3 PRO 59 1.190% * 0.1515% (0.37 1.0 0.02 0.02) = 0.152% HN MET 118 - HB2 PRO 104 1.190% * 0.1493% (0.36 1.0 0.02 0.02) = 0.149% HN GLY 58 - HB2 PRO 104 1.190% * 0.1493% (0.36 1.0 0.02 4.03) = 0.149% HN GLU- 12 - HB3 PRO 59 1.190% * 0.1446% (0.35 1.0 0.02 0.02) = 0.145% HN SER 49 - HB3 PRO 59 1.190% * 0.1446% (0.35 1.0 0.02 0.02) = 0.145% HN GLU- 12 - HB2 PRO 104 1.190% * 0.1416% (0.35 1.0 0.02 0.02) = 0.142% HN THR 106 - HB2 PRO 59 1.190% * 0.0862% (0.21 1.0 0.02 0.02) = 0.086% HN THR 106 - HB3 PRO 59 1.190% * 0.0804% (0.20 1.0 0.02 0.02) = 0.080% HN ASP- 115 - HB2 PRO 59 1.190% * 0.0734% (0.18 1.0 0.02 0.02) = 0.073% HN ASP- 115 - HB3 PRO 59 1.190% * 0.0685% (0.17 1.0 0.02 0.02) = 0.069% HN VAL 105 - HB2 PRO 59 1.190% * 0.0673% (0.16 1.0 0.02 0.02) = 0.067% HN ASP- 115 - HB2 PRO 104 1.190% * 0.0671% (0.16 1.0 0.02 0.02) = 0.067% HN VAL 94 - HB2 PRO 104 1.190% * 0.0671% (0.16 1.0 0.02 1.22) = 0.067% HN VAL 105 - HB3 PRO 59 1.190% * 0.0628% (0.15 1.0 0.02 0.02) = 0.063% HN GLY 58 - HB3 LYS+ 117 1.190% * 0.0586% (0.14 1.0 0.02 0.02) = 0.059% HN LEU 67 - HB3 LYS+ 117 1.190% * 0.0582% (0.14 1.0 0.02 0.02) = 0.058% HN LYS+ 81 - HB3 LYS+ 117 1.190% * 0.0582% (0.14 1.0 0.02 0.02) = 0.058% HN GLU- 12 - HB3 LYS+ 117 1.190% * 0.0556% (0.14 1.0 0.02 0.02) = 0.056% HN SER 49 - HB3 LYS+ 117 1.190% * 0.0556% (0.14 1.0 0.02 0.02) = 0.056% HN GLY 58 - HB2 LYS+ 117 1.190% * 0.0497% (0.12 1.0 0.02 0.02) = 0.050% HN LEU 67 - HB2 LYS+ 117 1.190% * 0.0494% (0.12 1.0 0.02 0.02) = 0.049% HN LYS+ 81 - HB2 LYS+ 117 1.190% * 0.0494% (0.12 1.0 0.02 0.02) = 0.049% HN GLU- 12 - HB2 LYS+ 117 1.190% * 0.0471% (0.12 1.0 0.02 0.02) = 0.047% HN SER 49 - HB2 LYS+ 117 1.190% * 0.0471% (0.12 1.0 0.02 0.02) = 0.047% HN ALA 11 - HB2 PRO 59 1.190% * 0.0455% (0.11 1.0 0.02 0.02) = 0.046% HN ALA 11 - HB3 PRO 59 1.190% * 0.0425% (0.10 1.0 0.02 0.02) = 0.043% HN ALA 11 - HB2 PRO 104 1.190% * 0.0416% (0.10 1.0 0.02 0.02) = 0.042% HN GLU- 45 - HB2 PRO 59 1.190% * 0.0365% (0.09 1.0 0.02 0.02) = 0.036% HN MET 118 - HB3 LYS+ 63 1.190% * 0.0351% (0.09 1.0 0.02 0.02) = 0.035% HN GLY 58 - HB3 LYS+ 63 1.190% * 0.0351% (0.09 1.0 0.02 0.02) = 0.035% HN LYS+ 81 - HB3 LYS+ 63 1.190% * 0.0349% (0.09 1.0 0.02 0.02) = 0.035% HN LEU 67 - HB3 LYS+ 63 1.190% * 0.0349% (0.09 1.0 0.02 0.02) = 0.035% HN GLU- 45 - HB3 PRO 59 1.190% * 0.0340% (0.08 1.0 0.02 0.02) = 0.034% HN GLU- 45 - HB2 PRO 104 1.190% * 0.0333% (0.08 1.0 0.02 0.02) = 0.033% HN GLU- 12 - HB3 LYS+ 63 1.190% * 0.0333% (0.08 1.0 0.02 0.02) = 0.033% HN SER 49 - HB3 LYS+ 63 1.190% * 0.0333% (0.08 1.0 0.02 0.02) = 0.033% HN GLN 16 - HB2 PRO 59 1.190% * 0.0324% (0.08 1.0 0.02 0.02) = 0.032% HN THR 106 - HB3 LYS+ 117 1.190% * 0.0309% (0.08 1.0 0.02 0.02) = 0.031% HN GLN 16 - HB3 PRO 59 1.190% * 0.0303% (0.07 1.0 0.02 0.02) = 0.030% HN GLN 16 - HB2 PRO 104 1.190% * 0.0296% (0.07 1.0 0.02 0.02) = 0.030% HN VAL 94 - HB3 LYS+ 117 1.190% * 0.0263% (0.06 1.0 0.02 0.02) = 0.026% HN ASP- 115 - HB3 LYS+ 117 1.190% * 0.0263% (0.06 1.0 0.02 0.02) = 0.026% HN THR 106 - HB2 LYS+ 117 1.190% * 0.0262% (0.06 1.0 0.02 0.02) = 0.026% HN VAL 105 - HB3 LYS+ 117 1.190% * 0.0241% (0.06 1.0 0.02 0.02) = 0.024% HN ASP- 115 - HB2 LYS+ 117 1.190% * 0.0223% (0.05 1.0 0.02 0.02) = 0.022% HN VAL 94 - HB2 LYS+ 117 1.190% * 0.0223% (0.05 1.0 0.02 0.02) = 0.022% HN HIS+ 7 - HB2 PRO 59 1.190% * 0.0222% (0.05 1.0 0.02 0.02) = 0.022% HN HIS+ 7 - HB3 PRO 59 1.190% * 0.0207% (0.05 1.0 0.02 0.02) = 0.021% HN VAL 105 - HB2 LYS+ 117 1.190% * 0.0205% (0.05 1.0 0.02 0.02) = 0.020% HN HIS+ 7 - HB2 PRO 104 1.190% * 0.0203% (0.05 1.0 0.02 0.02) = 0.020% HN THR 106 - HB3 LYS+ 63 1.190% * 0.0185% (0.05 1.0 0.02 0.02) = 0.019% HN ALA 11 - HB3 LYS+ 117 1.190% * 0.0163% (0.04 1.0 0.02 0.02) = 0.016% HN VAL 94 - HB3 LYS+ 63 1.190% * 0.0158% (0.04 1.0 0.02 0.02) = 0.016% HN ASP- 115 - HB3 LYS+ 63 1.190% * 0.0158% (0.04 1.0 0.02 0.02) = 0.016% HN VAL 105 - HB3 LYS+ 63 1.190% * 0.0145% (0.04 1.0 0.02 0.02) = 0.014% HN ALA 11 - HB2 LYS+ 117 1.190% * 0.0138% (0.03 1.0 0.02 0.02) = 0.014% HN GLU- 45 - HB3 LYS+ 117 1.190% * 0.0131% (0.03 1.0 0.02 0.02) = 0.013% HN GLN 16 - HB3 LYS+ 117 1.190% * 0.0116% (0.03 1.0 0.02 0.02) = 0.012% HN GLU- 45 - HB2 LYS+ 117 1.190% * 0.0111% (0.03 1.0 0.02 0.02) = 0.011% HN GLN 16 - HB2 LYS+ 117 1.190% * 0.0099% (0.02 1.0 0.02 0.02) = 0.010% HN ALA 11 - HB3 LYS+ 63 1.190% * 0.0098% (0.02 1.0 0.02 0.02) = 0.010% HN HIS+ 7 - HB3 LYS+ 117 1.190% * 0.0079% (0.02 1.0 0.02 0.02) = 0.008% HN GLU- 45 - HB3 LYS+ 63 1.190% * 0.0078% (0.02 1.0 0.02 2.09) = 0.008% HN GLN 16 - HB3 LYS+ 63 1.190% * 0.0070% (0.02 1.0 0.02 0.02) = 0.007% HN HIS+ 7 - HB2 LYS+ 117 1.190% * 0.0067% (0.02 1.0 0.02 0.02) = 0.007% HN HIS+ 7 - HB3 LYS+ 63 1.190% * 0.0048% (0.01 1.0 0.02 0.02) = 0.005% Not enough quality. Peak unassigned. Peak 3573 (8.42, 1.82, 32.48 ppm): 42 chemical-shift based assignments, quality = 0.266, support = 0.219, residual support = 0.167: HN HIS+ 14 - HB3 PRO 116 2.381% * 29.4463% (0.30 0.44 0.53) = 29.446% kept HN HIS+ 14 - HB3 LYS+ 117 2.381% * 18.0552% (0.33 0.25 0.02) = 18.055% kept HN HIS+ 14 - HB2 LYS+ 117 2.381% * 16.3370% (0.30 0.25 0.02) = 16.337% kept HN HIS+ 6 - HB3 LYS+ 117 2.381% * 1.4754% (0.33 0.02 0.02) = 1.475% kept HN HIS+ 6 - HB3 PRO 116 2.381% * 1.3396% (0.30 0.02 0.02) = 1.340% kept HN HIS+ 6 - HB2 LYS+ 117 2.381% * 1.3350% (0.30 0.02 0.02) = 1.335% kept HN GLU- 75 - HB3 LYS+ 117 2.381% * 1.3232% (0.29 0.02 0.02) = 1.323% kept HN CYS 123 - HB3 LYS+ 117 2.381% * 1.3232% (0.29 0.02 0.02) = 1.323% kept HN HIS+ 6 - HB2 PRO 59 2.381% * 1.3191% (0.29 0.02 0.02) = 1.319% kept HN HIS+ 14 - HB2 PRO 59 2.381% * 1.3161% (0.29 0.02 0.02) = 1.316% kept HN ARG+ 53 - HB3 LYS+ 117 2.381% * 1.2798% (0.29 0.02 0.02) = 1.280% kept HN CYS 123 - HB3 PRO 116 2.381% * 1.2014% (0.27 0.02 0.02) = 1.201% kept HN GLU- 75 - HB3 PRO 116 2.381% * 1.2014% (0.27 0.02 0.02) = 1.201% kept HN CYS 123 - HB2 LYS+ 117 2.381% * 1.1973% (0.27 0.02 0.02) = 1.197% kept HN GLU- 75 - HB2 LYS+ 117 2.381% * 1.1973% (0.27 0.02 0.02) = 1.197% kept HN CYS 123 - HB2 PRO 59 2.381% * 1.1830% (0.26 0.02 0.02) = 1.183% kept HN GLU- 75 - HB2 PRO 59 2.381% * 1.1830% (0.26 0.02 0.02) = 1.183% kept HN ARG+ 53 - HB3 PRO 116 2.381% * 1.1620% (0.26 0.02 0.02) = 1.162% kept HN ARG+ 53 - HB2 LYS+ 117 2.381% * 1.1580% (0.26 0.02 0.02) = 1.158% kept HN ARG+ 53 - HB2 PRO 59 2.381% * 1.1442% (0.25 0.02 0.02) = 1.144% kept HN HIS+ 6 - HB3 LYS+ 63 2.381% * 1.1109% (0.25 0.02 0.02) = 1.111% kept HN HIS+ 14 - HB3 LYS+ 63 2.381% * 1.1085% (0.25 0.02 0.02) = 1.108% kept HN HIS+ 6 - HB3 PRO 59 2.381% * 1.0467% (0.23 0.02 0.02) = 1.047% kept HN HIS+ 14 - HB3 PRO 59 2.381% * 1.0444% (0.23 0.02 0.02) = 1.044% kept HN CYS 123 - HB3 LYS+ 63 2.381% * 0.9963% (0.22 0.02 0.02) = 0.996% HN GLU- 75 - HB3 LYS+ 63 2.381% * 0.9963% (0.22 0.02 0.02) = 0.996% HN ARG+ 53 - HB3 LYS+ 63 2.381% * 0.9636% (0.21 0.02 0.02) = 0.964% HN GLU- 75 - HB3 PRO 59 2.381% * 0.9387% (0.21 0.02 0.02) = 0.939% HN CYS 123 - HB3 PRO 59 2.381% * 0.9387% (0.21 0.02 0.02) = 0.939% HN ARG+ 53 - HB3 PRO 59 2.381% * 0.9080% (0.20 0.02 0.02) = 0.908% HN HIS+ 6 - HB2 PRO 104 2.381% * 0.6294% (0.14 0.02 0.02) = 0.629% HN HIS+ 14 - HB2 PRO 104 2.381% * 0.6280% (0.14 0.02 0.02) = 0.628% HN CYS 123 - HB2 PRO 104 2.381% * 0.5645% (0.13 0.02 0.02) = 0.564% HN GLU- 75 - HB2 PRO 104 2.381% * 0.5645% (0.13 0.02 0.02) = 0.564% HN ARG+ 53 - HB2 PRO 104 2.381% * 0.5459% (0.12 0.02 0.02) = 0.546% HN LEU 74 - HB3 LYS+ 117 2.381% * 0.3285% (0.07 0.02 0.02) = 0.328% HN LEU 74 - HB3 PRO 116 2.381% * 0.2982% (0.07 0.02 0.02) = 0.298% HN LEU 74 - HB2 LYS+ 117 2.381% * 0.2972% (0.07 0.02 0.02) = 0.297% HN LEU 74 - HB2 PRO 59 2.381% * 0.2937% (0.07 0.02 0.02) = 0.294% HN LEU 74 - HB3 LYS+ 63 2.381% * 0.2473% (0.06 0.02 1.40) = 0.247% HN LEU 74 - HB3 PRO 59 2.381% * 0.2330% (0.05 0.02 0.02) = 0.233% HN LEU 74 - HB2 PRO 104 2.381% * 0.1401% (0.03 0.02 0.59) = 0.140% Not enough support, support cutoff is 0.22 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): 40 chemical-shift based assignments, quality = 0.257, support = 0.724, residual support = 0.725: HA ASN 89 - HB VAL 13 2.500% * 26.5513% (0.22 1.01 1.02) = 26.551% kept HA ASP- 36 - HB3 PRO 35 2.500% * 23.0361% (0.12 1.58 1.92) = 23.036% kept HA LYS+ 20 - HB3 LYS+ 55 2.500% * 10.5418% (0.14 0.64 0.02) = 10.542% kept HA GLN 16 - HB VAL 13 2.500% * 8.8948% (0.46 0.16 0.02) = 8.895% kept HA THR 61 - HB3 LYS+ 55 2.500% * 6.7785% (0.57 0.10 0.02) = 6.779% kept HA TYR 83 - HB3 LYS+ 55 2.500% * 1.6165% (0.69 0.02 0.12) = 1.617% kept HA ASN 119 - HB3 LYS+ 55 2.500% * 1.5022% (0.64 0.02 0.02) = 1.502% kept HA TYR 83 - HB VAL 122 2.500% * 1.3750% (0.59 0.02 0.17) = 1.375% kept HA TYR 83 - HB VAL 13 2.500% * 1.3689% (0.58 0.02 0.02) = 1.369% kept HA GLN 16 - HB3 LYS+ 55 2.500% * 1.2801% (0.55 0.02 0.02) = 1.280% kept HA ASN 119 - HB VAL 122 2.500% * 1.2778% (0.55 0.02 0.02) = 1.278% kept HA ASN 119 - HB VAL 13 2.500% * 1.2721% (0.54 0.02 0.02) = 1.272% kept HA THR 61 - HB VAL 122 2.500% * 1.1409% (0.49 0.02 0.02) = 1.141% kept HA THR 61 - HB VAL 13 2.500% * 1.1358% (0.49 0.02 0.02) = 1.136% kept HA GLN 16 - HB VAL 122 2.500% * 1.0889% (0.46 0.02 0.22) = 1.089% kept HA ASN 89 - HB2 PRO 116 2.500% * 0.9347% (0.05 0.16 0.02) = 0.935% HA ASP- 36 - HB3 LYS+ 55 2.500% * 0.8813% (0.38 0.02 0.02) = 0.881% HA LYS+ 120 - HB3 LYS+ 55 2.500% * 0.8153% (0.35 0.02 0.02) = 0.815% HA ASP- 36 - HB VAL 122 2.500% * 0.7496% (0.32 0.02 0.02) = 0.750% HA ASP- 36 - HB VAL 13 2.500% * 0.7463% (0.32 0.02 0.02) = 0.746% HA LYS+ 120 - HB VAL 122 2.500% * 0.6935% (0.30 0.02 0.02) = 0.694% HA LYS+ 120 - HB VAL 13 2.500% * 0.6904% (0.29 0.02 0.02) = 0.690% HA ASN 89 - HB3 LYS+ 55 2.500% * 0.6207% (0.27 0.02 0.02) = 0.621% HA TYR 83 - HB3 PRO 35 2.500% * 0.5340% (0.23 0.02 0.02) = 0.534% HA ASN 89 - HB VAL 122 2.500% * 0.5280% (0.23 0.02 0.02) = 0.528% HA ASN 119 - HB3 PRO 35 2.500% * 0.4962% (0.21 0.02 0.02) = 0.496% HA THR 61 - HB3 PRO 35 2.500% * 0.4430% (0.19 0.02 0.02) = 0.443% HA GLN 16 - HB3 PRO 35 2.500% * 0.4228% (0.18 0.02 0.02) = 0.423% HA TYR 83 - HB2 PRO 116 2.500% * 0.2990% (0.13 0.02 0.02) = 0.299% HA LYS+ 20 - HB VAL 122 2.500% * 0.2820% (0.12 0.02 0.02) = 0.282% HA LYS+ 20 - HB VAL 13 2.500% * 0.2807% (0.12 0.02 0.02) = 0.281% HA ASN 119 - HB2 PRO 116 2.500% * 0.2779% (0.12 0.02 0.02) = 0.278% HA LYS+ 120 - HB3 PRO 35 2.500% * 0.2693% (0.12 0.02 0.02) = 0.269% HA THR 61 - HB2 PRO 116 2.500% * 0.2481% (0.11 0.02 0.02) = 0.248% HA GLN 16 - HB2 PRO 116 2.500% * 0.2368% (0.10 0.02 0.02) = 0.237% HA ASN 89 - HB3 PRO 35 2.500% * 0.2050% (0.09 0.02 0.02) = 0.205% HA ASP- 36 - HB2 PRO 116 2.500% * 0.1630% (0.07 0.02 0.02) = 0.163% HA LYS+ 120 - HB2 PRO 116 2.500% * 0.1508% (0.06 0.02 0.02) = 0.151% HA LYS+ 20 - HB3 PRO 35 2.500% * 0.1095% (0.05 0.02 0.02) = 0.109% HA LYS+ 20 - HB2 PRO 116 2.500% * 0.0613% (0.03 0.02 0.12) = 0.061% Peak 3576 (3.85, 1.95, 32.81 ppm): 60 chemical-shift based assignments, quality = 0.214, support = 1.69, residual support = 1.77: O HA VAL 13 - HB VAL 13 1.667% * 58.0062% (0.16 10.0 1.00 2.24 2.14) = 58.006% kept O HD2 PRO 116 - HB2 PRO 116 1.667% * 10.7171% (0.03 10.0 1.00 2.23 2.96) = 10.717% kept HA ASN 89 - HB VAL 13 1.667% * 9.4847% (0.53 1.0 1.00 1.01 1.02) = 9.485% kept HD3 PRO 86 - HB VAL 122 1.667% * 4.9069% (0.56 1.0 1.00 0.49 0.02) = 4.907% kept HD3 PRO 86 - HB2 PRO 116 1.667% * 2.6317% (0.15 1.0 1.00 1.01 4.42) = 2.632% kept HD3 PRO 86 - HB VAL 13 1.667% * 2.4437% (0.57 1.0 1.00 0.24 0.02) = 2.444% kept T HA LYS+ 44 - HB3 LYS+ 55 1.667% * 1.5793% (0.44 1.0 10.00 0.02 0.02) = 1.579% kept HA VAL 87 - HB VAL 122 1.667% * 1.2875% (0.46 1.0 1.00 0.16 0.02) = 1.287% kept T HA LYS+ 44 - HB VAL 13 1.667% * 1.2408% (0.35 1.0 10.00 0.02 0.02) = 1.241% kept T HA LYS+ 44 - HB VAL 122 1.667% * 1.2277% (0.34 1.0 10.00 0.02 0.02) = 1.228% kept HA VAL 87 - HB2 PRO 116 1.667% * 0.6905% (0.12 1.0 1.00 0.32 0.02) = 0.691% HA VAL 87 - HB VAL 13 1.667% * 0.6412% (0.47 1.0 1.00 0.08 0.02) = 0.641% HD2 PRO 86 - HB2 PRO 116 1.667% * 0.4208% (0.02 1.0 1.00 1.01 4.42) = 0.421% HB2 SER 85 - HB2 PRO 116 1.667% * 0.4198% (0.07 1.0 1.00 0.32 0.02) = 0.420% HA ASN 89 - HB2 PRO 116 1.667% * 0.3967% (0.14 1.0 1.00 0.16 0.02) = 0.397% T HA LYS+ 44 - HB2 PRO 116 1.667% * 0.3221% (0.09 1.0 10.00 0.02 0.02) = 0.322% HD3 PRO 86 - HB3 LYS+ 55 1.667% * 0.2563% (0.72 1.0 1.00 0.02 0.02) = 0.256% HA ASN 89 - HB3 LYS+ 55 1.667% * 0.2390% (0.67 1.0 1.00 0.02 0.02) = 0.239% HB3 SER 88 - HB3 LYS+ 55 1.667% * 0.2382% (0.67 1.0 1.00 0.02 0.02) = 0.238% HA VAL 87 - HB3 LYS+ 55 1.667% * 0.2126% (0.60 1.0 1.00 0.02 0.02) = 0.213% HB3 SER 88 - HB VAL 13 1.667% * 0.1871% (0.53 1.0 1.00 0.02 0.02) = 0.187% HA ASN 89 - HB VAL 122 1.667% * 0.1858% (0.52 1.0 1.00 0.02 0.02) = 0.186% HB3 SER 88 - HB VAL 122 1.667% * 0.1851% (0.52 1.0 1.00 0.02 0.02) = 0.185% HB2 SER 85 - HB3 LYS+ 55 1.667% * 0.1293% (0.36 1.0 1.00 0.02 0.02) = 0.129% HA ILE 48 - HB3 LYS+ 55 1.667% * 0.1274% (0.36 1.0 1.00 0.02 0.02) = 0.127% HB2 SER 85 - HB VAL 13 1.667% * 0.1015% (0.29 1.0 1.00 0.02 0.02) = 0.102% HD3 PRO 86 - HB3 PRO 35 1.667% * 0.1013% (0.28 1.0 1.00 0.02 0.02) = 0.101% HB2 SER 85 - HB VAL 122 1.667% * 0.1005% (0.28 1.0 1.00 0.02 0.02) = 0.100% HA ILE 48 - HB VAL 13 1.667% * 0.1001% (0.28 1.0 1.00 0.02 0.02) = 0.100% HA ILE 48 - HB VAL 122 1.667% * 0.0991% (0.28 1.0 1.00 0.02 0.02) = 0.099% HA ASN 89 - HB3 PRO 35 1.667% * 0.0945% (0.27 1.0 1.00 0.02 0.02) = 0.095% HB3 SER 88 - HB3 PRO 35 1.667% * 0.0942% (0.26 1.0 1.00 0.02 0.02) = 0.094% HA VAL 87 - HB3 PRO 35 1.667% * 0.0841% (0.24 1.0 1.00 0.02 0.02) = 0.084% HA VAL 13 - HB3 LYS+ 55 1.667% * 0.0738% (0.21 1.0 1.00 0.02 0.02) = 0.074% HA VAL 125 - HB3 LYS+ 55 1.667% * 0.0662% (0.19 1.0 1.00 0.02 0.02) = 0.066% HA LYS+ 44 - HB3 PRO 35 1.667% * 0.0625% (0.18 1.0 1.00 0.02 0.02) = 0.062% HA VAL 13 - HB VAL 122 1.667% * 0.0574% (0.16 1.0 1.00 0.02 0.02) = 0.057% HD2 PRO 116 - HB3 LYS+ 55 1.667% * 0.0526% (0.15 1.0 1.00 0.02 0.02) = 0.053% HA VAL 125 - HB VAL 13 1.667% * 0.0520% (0.15 1.0 1.00 0.02 0.02) = 0.052% HA VAL 125 - HB VAL 122 1.667% * 0.0515% (0.14 1.0 1.00 0.02 0.02) = 0.051% HB2 SER 85 - HB3 PRO 35 1.667% * 0.0511% (0.14 1.0 1.00 0.02 0.02) = 0.051% HA ILE 48 - HB3 PRO 35 1.667% * 0.0504% (0.14 1.0 1.00 0.02 0.02) = 0.050% HB3 SER 88 - HB2 PRO 116 1.667% * 0.0486% (0.14 1.0 1.00 0.02 0.21) = 0.049% HA2 GLY 92 - HB3 LYS+ 55 1.667% * 0.0465% (0.13 1.0 1.00 0.02 0.02) = 0.047% HD2 PRO 116 - HB VAL 13 1.667% * 0.0413% (0.12 1.0 1.00 0.02 0.02) = 0.041% HD2 PRO 86 - HB3 LYS+ 55 1.667% * 0.0410% (0.12 1.0 1.00 0.02 0.02) = 0.041% HD2 PRO 116 - HB VAL 122 1.667% * 0.0409% (0.11 1.0 1.00 0.02 0.02) = 0.041% HA2 GLY 92 - HB VAL 13 1.667% * 0.0365% (0.10 1.0 1.00 0.02 0.02) = 0.037% HA2 GLY 92 - HB VAL 122 1.667% * 0.0362% (0.10 1.0 1.00 0.02 0.02) = 0.036% HD2 PRO 86 - HB VAL 13 1.667% * 0.0322% (0.09 1.0 1.00 0.02 0.02) = 0.032% HD2 PRO 86 - HB VAL 122 1.667% * 0.0319% (0.09 1.0 1.00 0.02 0.02) = 0.032% HA VAL 13 - HB3 PRO 35 1.667% * 0.0292% (0.08 1.0 1.00 0.02 0.02) = 0.029% HA VAL 125 - HB3 PRO 35 1.667% * 0.0262% (0.07 1.0 1.00 0.02 0.02) = 0.026% HA ILE 48 - HB2 PRO 116 1.667% * 0.0260% (0.07 1.0 1.00 0.02 0.02) = 0.026% HD2 PRO 116 - HB3 PRO 35 1.667% * 0.0208% (0.06 1.0 1.00 0.02 0.02) = 0.021% HA2 GLY 92 - HB3 PRO 35 1.667% * 0.0184% (0.05 1.0 1.00 0.02 0.02) = 0.018% HD2 PRO 86 - HB3 PRO 35 1.667% * 0.0162% (0.05 1.0 1.00 0.02 0.02) = 0.016% HA VAL 13 - HB2 PRO 116 1.667% * 0.0151% (0.04 1.0 1.00 0.02 0.02) = 0.015% HA VAL 125 - HB2 PRO 116 1.667% * 0.0135% (0.04 1.0 1.00 0.02 0.02) = 0.014% HA2 GLY 92 - HB2 PRO 116 1.667% * 0.0095% (0.03 1.0 1.00 0.02 0.02) = 0.009% Peak 3577 (8.27, 2.26, 32.16 ppm): 18 chemical-shift based assignments, quality = 0.127, support = 0.513, residual support = 0.0213: HN ASN 89 - HG3 MET 118 5.556% * 46.2262% (0.18 0.58 0.02) = 46.226% kept HN ALA 91 - HG3 MET 118 5.556% * 19.2230% (0.05 0.87 0.02) = 19.223% kept HN ASP- 115 - HB2 PRO 86 5.556% * 15.7025% (0.08 0.44 0.02) = 15.702% kept HN ASP- 28 - HB2 PRO 86 5.556% * 4.8697% (0.13 0.08 0.02) = 4.870% kept HN ASN 89 - HB2 PRO 86 5.556% * 1.5650% (0.18 0.02 0.15) = 1.565% kept HN HIS+ 7 - HG3 MET 118 5.556% * 1.3837% (0.16 0.02 0.02) = 1.384% kept HN HIS+ 7 - HB2 PRO 86 5.556% * 1.3696% (0.16 0.02 0.02) = 1.370% kept HN GLN 16 - HG3 MET 118 5.556% * 1.2191% (0.14 0.02 0.02) = 1.219% kept HN HIS+ 8 - HG3 MET 118 5.556% * 1.2191% (0.14 0.02 0.02) = 1.219% kept HN GLN 16 - HB2 PRO 86 5.556% * 1.2067% (0.14 0.02 0.02) = 1.207% kept HN HIS+ 8 - HB2 PRO 86 5.556% * 1.2067% (0.14 0.02 0.02) = 1.207% kept HN ASP- 28 - HG3 MET 118 5.556% * 1.1583% (0.13 0.02 0.02) = 1.158% kept HN ASP- 115 - HG3 MET 118 5.556% * 0.7152% (0.08 0.02 0.02) = 0.715% HN LEU 9 - HG3 MET 118 5.556% * 0.6558% (0.07 0.02 0.02) = 0.656% HN LEU 9 - HB2 PRO 86 5.556% * 0.6491% (0.07 0.02 0.02) = 0.649% HN THR 106 - HG3 MET 118 5.556% * 0.5987% (0.07 0.02 0.02) = 0.599% HN THR 106 - HB2 PRO 86 5.556% * 0.5926% (0.07 0.02 0.02) = 0.593% HN ALA 91 - HB2 PRO 86 5.556% * 0.4390% (0.05 0.02 0.02) = 0.439% 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): 12 chemical-shift based assignments, quality = 0.0887, support = 0.261, residual support = 0.302: HB3 GLU- 75 - HB VAL 62 8.333% * 36.1204% (0.14 0.16 0.02) = 36.120% kept HA1 GLY 58 - HB VAL 62 8.333% * 26.3049% (0.02 0.67 0.66) = 26.305% kept HB2 GLU- 45 - HB VAL 62 8.333% * 13.0121% (0.04 0.19 0.84) = 13.012% kept HB3 LYS+ 120 - HB VAL 62 8.333% * 4.9093% (0.15 0.02 0.02) = 4.909% kept HG3 ARG+ 53 - HB VAL 62 8.333% * 4.6234% (0.14 0.02 0.02) = 4.623% kept HD3 LYS+ 110 - HB VAL 62 8.333% * 3.4403% (0.11 0.02 0.02) = 3.440% kept HB2 LYS+ 110 - HB VAL 62 8.333% * 3.0378% (0.09 0.02 0.02) = 3.038% kept HB2 LEU 43 - HB VAL 62 8.333% * 2.6351% (0.08 0.02 0.21) = 2.635% kept HB VAL 125 - HB VAL 62 8.333% * 2.4379% (0.07 0.02 0.02) = 2.438% kept HB VAL 87 - HB VAL 62 8.333% * 1.2489% (0.04 0.02 0.02) = 1.249% kept HB VAL 65 - HB VAL 62 8.333% * 1.1151% (0.03 0.02 0.02) = 1.115% kept HB3 GLU- 10 - HB VAL 62 8.333% * 1.1151% (0.03 0.02 0.02) = 1.115% kept Not enough quality. Peak unassigned. Peak 3581 (0.96, 2.06, 32.18 ppm): 8 chemical-shift based assignments, quality = 0.0896, support = 2.03, residual support = 26.6: O QG2 VAL 62 - HB VAL 62 12.500% * 84.2530% (0.09 10.0 2.17 30.13) = 84.253% kept HG LEU 74 - HB VAL 62 12.500% * 7.9334% (0.11 1.0 1.46 1.71) = 7.933% kept HG3 LYS+ 63 - HB VAL 62 12.500% * 6.6776% (0.12 1.0 1.17 16.85) = 6.678% kept QG2 ILE 29 - HB VAL 62 12.500% * 0.8913% (0.10 1.0 0.19 0.02) = 0.891% HG12 ILE 68 - HB VAL 62 12.500% * 0.0963% (0.10 1.0 0.02 0.02) = 0.096% HG12 ILE 29 - HB VAL 62 12.500% * 0.0783% (0.08 1.0 0.02 0.02) = 0.078% QG1 VAL 105 - HB VAL 62 12.500% * 0.0371% (0.04 1.0 0.02 0.02) = 0.037% QD1 LEU 17 - HB VAL 62 12.500% * 0.0331% (0.03 1.0 0.02 0.02) = 0.033% Peak 3582 (0.75, 2.06, 32.18 ppm): 8 chemical-shift based assignments, quality = 0.0757, support = 0.967, residual support = 1.5: QD1 LEU 9 - HB VAL 62 12.500% * 54.5059% (0.10 0.99 1.52) = 54.506% kept HG LEU 74 - HB VAL 62 12.500% * 24.9072% (0.03 1.46 1.71) = 24.907% kept QD2 LEU 9 - HB VAL 62 12.500% * 15.8223% (0.07 0.41 1.52) = 15.822% kept HG3 LYS+ 66 - HB VAL 62 12.500% * 1.3695% (0.12 0.02 0.02) = 1.369% kept HG3 LYS+ 44 - HB VAL 62 12.500% * 1.3695% (0.12 0.02 0.85) = 1.369% kept HG12 ILE 100 - HB VAL 62 12.500% * 0.8325% (0.07 0.02 0.11) = 0.832% QD1 ILE 68 - HB VAL 62 12.500% * 0.7668% (0.07 0.02 0.02) = 0.767% QG2 VAL 40 - HB VAL 62 12.500% * 0.4265% (0.04 0.02 0.02) = 0.426% 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): 13 chemical-shift based assignments, quality = 0.071, support = 0.23, residual support = 1.27: QD2 LEU 9 - HB2 HIS+ 8 7.692% * 21.2318% (0.09 0.24 2.22) = 21.232% kept HB2 LEU 9 - HB2 HIS+ 8 7.692% * 19.9066% (0.08 0.24 2.22) = 19.907% kept HG3 LYS+ 66 - HB2 HIS+ 8 7.692% * 17.6966% (0.04 0.41 0.12) = 17.697% kept QD1 LEU 9 - HB2 HIS+ 8 7.692% * 14.7145% (0.06 0.24 2.22) = 14.714% kept HG LEU 67 - HB2 HIS+ 8 7.692% * 10.2651% (0.08 0.13 0.02) = 10.265% kept HG LEU 74 - HB2 HIS+ 8 7.692% * 4.3033% (0.02 0.21 0.02) = 4.303% kept QG2 ILE 48 - HB2 HIS+ 8 7.692% * 2.6710% (0.13 0.02 0.02) = 2.671% kept QG2 ILE 101 - HB2 HIS+ 8 7.692% * 2.4821% (0.12 0.02 0.02) = 2.482% kept QG2 VAL 40 - HB2 HIS+ 8 7.692% * 2.4008% (0.12 0.02 0.02) = 2.401% kept QD1 ILE 68 - HB2 HIS+ 8 7.692% * 1.7904% (0.09 0.02 0.02) = 1.790% kept HG2 PRO 59 - HB2 HIS+ 8 7.692% * 1.6787% (0.08 0.02 0.02) = 1.679% kept QD1 ILE 19 - HB2 HIS+ 8 7.692% * 0.4847% (0.02 0.02 0.02) = 0.485% QG2 VAL 94 - HB2 HIS+ 8 7.692% * 0.3746% (0.02 0.02 0.02) = 0.375% Not enough quality. Peak unassigned. Peak 3585 (0.55, 1.63, 32.60 ppm): 2 chemical-shift based assignments, quality = 0.101, support = 0.02, residual support = 0.02: T QD1 ILE 101 - HB2 HIS+ 8 50.000% * 91.3228% (0.10 10.00 0.02 0.02) = 91.323% kept HG13 ILE 101 - HB2 HIS+ 8 50.000% * 8.6772% (0.10 1.00 0.02 0.02) = 8.677% kept Not enough support, support cutoff is 0.22 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): 1 chemical-shift based assignment, quality = 0.115, support = 0.02, residual support = 0.02: HG13 ILE 48 - HB2 HIS+ 8 100.000% *100.0000% (0.12 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.22 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): 6 chemical-shift based assignments, quality = 0.119, support = 0.225, residual support = 0.0313: T HG LEU 74 - HB2 HIS+ 8 16.667% * 84.2778% (0.13 10.00 0.21 0.02) = 84.278% kept HB3 LYS+ 66 - HB2 HIS+ 8 16.667% * 11.2617% (0.09 1.00 0.41 0.12) = 11.262% kept HB2 LEU 74 - HB2 HIS+ 8 16.667% * 2.5436% (0.08 1.00 0.10 0.02) = 2.544% kept HB ILE 68 - HB2 HIS+ 8 16.667% * 0.8403% (0.13 1.00 0.02 0.02) = 0.840% HG3 PRO 59 - HB2 HIS+ 8 16.667% * 0.6676% (0.03 1.00 0.08 0.02) = 0.668% QG2 THR 106 - HB2 HIS+ 8 16.667% * 0.4090% (0.06 1.00 0.02 0.02) = 0.409% Not enough quality. Peak unassigned. Peak 3590 (1.63, 1.63, 32.60 ppm): 1 diagonal assignment: HB2 HIS+ 8 - HB2 HIS+ 8 (0.02) kept 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): 8 chemical-shift based assignments, quality = 0.063, support = 0.147, residual support = 0.0198: T HG LEU 74 - HB2 HIS+ 8 12.500% * 65.3630% (0.04 10.00 0.21 0.02) = 65.363% kept T HG LEU 90 - HB2 HIS+ 8 12.500% * 18.6349% (0.13 10.00 0.02 0.02) = 18.635% kept T HG3 LYS+ 108 - HB2 HIS+ 8 12.500% * 7.8158% (0.05 10.00 0.02 0.02) = 7.816% kept HB3 LEU 67 - HB2 HIS+ 8 12.500% * 2.7728% (0.03 1.00 0.13 0.02) = 2.773% kept HB3 LYS+ 60 - HB2 HIS+ 8 12.500% * 1.7984% (0.13 1.00 0.02 0.02) = 1.798% kept HG3 LYS+ 55 - HB2 HIS+ 8 12.500% * 1.4529% (0.10 1.00 0.02 0.02) = 1.453% kept HD3 LYS+ 113 - HB2 HIS+ 8 12.500% * 1.3805% (0.10 1.00 0.02 0.02) = 1.381% kept HD3 LYS+ 44 - HB2 HIS+ 8 12.500% * 0.7816% (0.05 1.00 0.02 0.02) = 0.782% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3593 (4.27, 1.63, 32.60 ppm): 16 chemical-shift based assignments, quality = 0.0906, support = 0.212, residual support = 0.0196: HA LYS+ 108 - HB2 HIS+ 8 6.250% * 24.9303% (0.05 0.48 0.02) = 24.930% kept HA HIS+ 4 - HB2 HIS+ 8 6.250% * 18.4060% (0.07 0.25 0.02) = 18.406% kept HA VAL 65 - HB2 HIS+ 8 6.250% * 17.4999% (0.13 0.13 0.02) = 17.500% kept HA ASN 89 - HB2 HIS+ 8 6.250% * 15.0517% (0.12 0.12 0.02) = 15.052% kept HA ARG+ 84 - HB2 HIS+ 8 6.250% * 2.7132% (0.13 0.02 0.02) = 2.713% kept HA GLU- 75 - HB2 HIS+ 8 6.250% * 2.6184% (0.13 0.02 0.02) = 2.618% kept HA SER 85 - HB2 HIS+ 8 6.250% * 2.5552% (0.12 0.02 0.02) = 2.555% kept HD3 PRO 59 - HB2 HIS+ 8 6.250% * 2.5552% (0.12 0.02 0.02) = 2.555% kept HA PRO 52 - HB2 HIS+ 8 6.250% * 2.5552% (0.12 0.02 0.02) = 2.555% kept HA ALA 91 - HB2 HIS+ 8 6.250% * 2.4824% (0.12 0.02 0.02) = 2.482% kept HA GLU- 56 - HB2 HIS+ 8 6.250% * 2.1154% (0.10 0.02 0.02) = 2.115% kept HA2 GLY 114 - HB2 HIS+ 8 6.250% * 1.7906% (0.09 0.02 0.02) = 1.791% kept HA VAL 73 - HB2 HIS+ 8 6.250% * 1.6872% (0.08 0.02 0.02) = 1.687% kept HA THR 106 - HB2 HIS+ 8 6.250% * 1.2410% (0.06 0.02 0.02) = 1.241% kept HA PRO 59 - HB2 HIS+ 8 6.250% * 0.9442% (0.05 0.02 0.02) = 0.944% HA LEU 90 - HB2 HIS+ 8 6.250% * 0.8543% (0.04 0.02 0.02) = 0.854% Not enough support, support cutoff is 0.22 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): 5 chemical-shift based assignments, quality = 0.376, support = 3.21, residual support = 14.8: O HD2 PRO 104 - HB3 PRO 104 20.000% * 51.4046% (0.22 10.0 3.55 20.15) = 51.405% kept HA ASN 89 - HB3 PRO 104 20.000% * 20.4236% (0.47 1.0 3.73 16.65) = 20.424% kept HA ILE 48 - HB3 PRO 104 20.000% * 18.5620% (0.66 1.0 2.40 4.53) = 18.562% kept HD2 PRO 112 - HB3 PRO 104 20.000% * 9.5813% (0.45 1.0 1.83 2.27) = 9.581% kept HD2 PRO 31 - HB3 PRO 104 20.000% * 0.0285% (0.12 1.0 0.02 0.02) = 0.029% Peak 3599 (3.76, 1.85, 32.26 ppm): 12 chemical-shift based assignments, quality = 0.586, support = 3.43, residual support = 17.6: O HD3 PRO 104 - HB2 PRO 104 8.333% * 69.3346% (0.52 10.0 3.57 20.15) = 69.335% kept HA ASN 89 - HB2 PRO 104 8.333% * 19.3932% (0.74 1.0 3.96 16.65) = 19.393% kept HA ILE 48 - HB2 PRO 104 8.333% * 9.8145% (0.80 1.0 1.85 4.53) = 9.815% kept HA ASN 89 - HB VAL 73 8.333% * 0.8437% (0.22 1.0 0.59 0.02) = 0.844% HA ILE 48 - HB VAL 73 8.333% * 0.3576% (0.23 1.0 0.23 0.36) = 0.358% HB3 SER 27 - HB2 PRO 104 8.333% * 0.1214% (0.92 1.0 0.02 0.02) = 0.121% HB3 SER 27 - HB VAL 73 8.333% * 0.0356% (0.27 1.0 0.02 0.02) = 0.036% HA LEU 43 - HB2 PRO 104 8.333% * 0.0341% (0.26 1.0 0.02 0.02) = 0.034% HA LYS+ 44 - HB2 PRO 104 8.333% * 0.0272% (0.21 1.0 0.02 0.02) = 0.027% HD3 PRO 104 - HB VAL 73 8.333% * 0.0203% (0.15 1.0 0.02 4.67) = 0.020% HA LEU 43 - HB VAL 73 8.333% * 0.0100% (0.08 1.0 0.02 0.02) = 0.010% HA LYS+ 44 - HB VAL 73 8.333% * 0.0080% (0.06 1.0 0.02 0.23) = 0.008% 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 = 0.403, support = 1.6, residual support = 3.98: T HB2 PRO 116 - HB3 PRO 86 4.545% * 56.8265% (0.30 10.00 1.93 4.42) = 56.826% kept HG3 PRO 116 - HB3 PRO 86 4.545% * 15.1525% (0.89 1.00 1.76 4.42) = 15.152% kept T HB2 PRO 116 - HB2 PRO 86 4.545% * 11.2468% (0.14 10.00 0.86 4.42) = 11.247% kept HG3 PRO 116 - HB2 PRO 86 4.545% * 6.7713% (0.40 1.00 1.77 4.42) = 6.771% kept HB3 LYS+ 55 - HB3 PRO 86 4.545% * 2.2115% (0.75 1.00 0.31 0.02) = 2.212% kept HB VAL 122 - HB3 PRO 86 4.545% * 2.0589% (0.88 1.00 0.24 0.02) = 2.059% kept HB3 GLU- 109 - HB3 PRO 86 4.545% * 2.0527% (0.86 1.00 0.25 0.02) = 2.053% kept HB VAL 122 - HB2 PRO 86 4.545% * 0.9360% (0.39 1.00 0.25 0.02) = 0.936% HB3 GLU- 109 - HB2 PRO 86 4.545% * 0.9294% (0.38 1.00 0.25 0.02) = 0.929% HB VAL 13 - HB2 PRO 86 4.545% * 0.9290% (0.40 1.00 0.24 0.02) = 0.929% HB VAL 13 - HB3 PRO 86 4.545% * 0.1721% (0.89 1.00 0.02 0.02) = 0.172% HG3 PRO 31 - HB3 PRO 86 4.545% * 0.1496% (0.78 1.00 0.02 0.02) = 0.150% HB2 GLU- 75 - HB3 PRO 86 4.545% * 0.1116% (0.58 1.00 0.02 0.02) = 0.112% HG3 PRO 104 - HB3 PRO 86 4.545% * 0.0907% (0.47 1.00 0.02 0.02) = 0.091% HG2 PRO 112 - HB3 PRO 86 4.545% * 0.0709% (0.37 1.00 0.02 0.02) = 0.071% HG3 PRO 31 - HB2 PRO 86 4.545% * 0.0665% (0.34 1.00 0.02 0.02) = 0.067% HB3 LYS+ 55 - HB2 PRO 86 4.545% * 0.0641% (0.33 1.00 0.02 0.02) = 0.064% HB2 GLU- 75 - HB2 PRO 86 4.545% * 0.0496% (0.26 1.00 0.02 0.02) = 0.050% HG3 PRO 104 - HB2 PRO 86 4.545% * 0.0404% (0.21 1.00 0.02 0.02) = 0.040% HG2 PRO 112 - HB2 PRO 86 4.545% * 0.0315% (0.16 1.00 0.02 0.02) = 0.032% HB ILE 29 - HB3 PRO 86 4.545% * 0.0266% (0.14 1.00 0.02 0.02) = 0.027% HB ILE 29 - HB2 PRO 86 4.545% * 0.0118% (0.06 1.00 0.02 0.02) = 0.012% Peak 3608 (2.36, 2.36, 34.32 ppm): 1 diagonal assignment: HB2 LYS+ 78 - HB2 LYS+ 78 (0.10) kept Peak 3609 (9.04, 2.40, 34.10 ppm): 2 chemical-shift based assignments, quality = 0.665, support = 4.57, residual support = 19.7: HN THR 79 - HB2 LYS+ 78 50.000% * 89.9075% (0.67 5.01 21.93) = 89.908% kept HN GLY 30 - HB2 LYS+ 78 50.000% * 10.0925% (0.63 0.59 0.02) = 10.092% kept Peak 3610 (7.59, 2.40, 34.10 ppm): 6 chemical-shift based assignments, quality = 0.633, support = 5.34, residual support = 28.4: O HN LYS+ 78 - HB2 LYS+ 78 16.667% * 99.7575% (0.63 10.0 5.36 28.44) = 99.757% kept HD21 ASN 15 - HB2 LYS+ 78 16.667% * 0.1090% (0.69 1.0 0.02 0.02) = 0.109% HN ASP- 25 - HB2 LYS+ 78 16.667% * 0.0585% (0.37 1.0 0.02 0.02) = 0.059% HN VAL 65 - HB2 LYS+ 78 16.667% * 0.0277% (0.18 1.0 0.02 0.02) = 0.028% HD22 ASN 119 - HB2 LYS+ 78 16.667% * 0.0277% (0.18 1.0 0.02 0.02) = 0.028% HD21 ASN 57 - HB2 LYS+ 78 16.667% * 0.0195% (0.12 1.0 0.02 0.02) = 0.019% Peak 3611 (6.71, 2.40, 34.10 ppm): 1 chemical-shift based assignment, quality = 0.197, support = 1.1, residual support = 3.0: T QE TYR 83 - HB2 LYS+ 78 100.000% *100.0000% (0.20 10.00 1.10 3.00) = 100.000% kept Not enough quality. Peak unassigned. Peak 3612 (4.56, 2.40, 34.10 ppm): 8 chemical-shift based assignments, quality = 0.497, support = 1.47, residual support = 17.8: HA THR 79 - HB2 LYS+ 78 12.500% * 81.1535% (0.54 1.71 21.93) = 81.153% kept HA ASN 89 - HB2 LYS+ 78 12.500% * 15.7833% (0.37 0.49 0.02) = 15.783% kept HA LYS+ 72 - HB2 LYS+ 78 12.500% * 0.9480% (0.54 0.02 0.02) = 0.948% HA LEU 17 - HB2 LYS+ 78 12.500% * 0.9007% (0.51 0.02 0.02) = 0.901% HA GLU- 10 - HB2 LYS+ 78 12.500% * 0.5100% (0.29 0.02 0.02) = 0.510% HA LEU 9 - HB2 LYS+ 78 12.500% * 0.3093% (0.18 0.02 0.02) = 0.309% HA VAL 73 - HB2 LYS+ 78 12.500% * 0.2038% (0.12 0.02 0.02) = 0.204% HA ASP- 25 - HB2 LYS+ 78 12.500% * 0.1914% (0.11 0.02 0.02) = 0.191% 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): 10 chemical-shift based assignments, quality = 0.319, support = 0.264, residual support = 0.993: HE22 GLN 102 - HG3 MET 126 10.000% * 64.9366% (0.42 0.29 1.52) = 64.937% kept HZ PHE 34 - HG3 MET 126 10.000% * 13.9801% (0.10 0.26 0.02) = 13.980% kept QE PHE 34 - HG3 MET 126 10.000% * 13.9801% (0.10 0.26 0.02) = 13.980% kept HE ARG+ 53 - HG3 MET 126 10.000% * 4.1715% (0.40 0.02 0.02) = 4.171% kept HZ2 TRP 51 - HG3 MET 126 10.000% * 1.0707% (0.10 0.02 0.02) = 1.071% kept HE22 GLN 102 - HB2 LYS+ 113 10.000% * 0.6988% (0.07 0.02 0.02) = 0.699% HE ARG+ 53 - HB2 LYS+ 113 10.000% * 0.6567% (0.06 0.02 0.02) = 0.657% QE PHE 34 - HB2 LYS+ 113 10.000% * 0.1685% (0.02 0.02 0.02) = 0.169% HZ PHE 34 - HB2 LYS+ 113 10.000% * 0.1685% (0.02 0.02 0.02) = 0.169% HZ2 TRP 51 - HB2 LYS+ 113 10.000% * 0.1685% (0.02 0.02 0.02) = 0.169% Peak 3615 (8.19, 2.24, 33.78 ppm): 14 chemical-shift based assignments, quality = 0.38, support = 0.189, residual support = 0.221: HN ASN 119 - HG3 MET 126 7.143% * 48.7867% (0.44 0.25 0.43) = 48.787% kept HN ALA 33 - HG3 MET 126 7.143% * 28.7398% (0.40 0.17 0.02) = 28.740% kept HN LYS+ 117 - HG3 MET 126 7.143% * 10.6788% (0.30 0.08 0.02) = 10.679% kept HN LYS+ 120 - HG3 MET 126 7.143% * 3.7035% (0.42 0.02 0.02) = 3.704% kept HN ALA 11 - HB2 LYS+ 113 7.143% * 2.2476% (0.01 0.36 0.02) = 2.248% kept HN SER 41 - HG3 MET 126 7.143% * 1.5058% (0.17 0.02 0.02) = 1.506% kept HN GLU- 45 - HG3 MET 126 7.143% * 1.0004% (0.11 0.02 0.02) = 1.000% kept HN ALA 11 - HG3 MET 126 7.143% * 0.7940% (0.09 0.02 0.02) = 0.794% HN ASN 119 - HB2 LYS+ 113 7.143% * 0.6095% (0.07 0.02 0.02) = 0.609% HN LYS+ 120 - HB2 LYS+ 113 7.143% * 0.5830% (0.07 0.02 0.02) = 0.583% HN ALA 33 - HB2 LYS+ 113 7.143% * 0.5478% (0.06 0.02 0.02) = 0.548% HN LYS+ 117 - HB2 LYS+ 113 7.143% * 0.4086% (0.05 0.02 0.02) = 0.409% HN SER 41 - HB2 LYS+ 113 7.143% * 0.2370% (0.03 0.02 0.02) = 0.237% HN GLU- 45 - HB2 LYS+ 113 7.143% * 0.1575% (0.02 0.02 0.02) = 0.157% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3616 (7.36, 2.11, 33.78 ppm): 5 chemical-shift based assignments, quality = 0.191, support = 1.41, residual support = 22.7: O HE22 GLN 102 - HG3 GLN 102 20.000% * 99.7650% (0.19 10.0 1.41 22.76) = 99.765% kept HE ARG+ 53 - HG3 GLN 102 20.000% * 0.1328% (0.18 1.0 0.02 0.02) = 0.133% HZ2 TRP 51 - HG3 GLN 102 20.000% * 0.0341% (0.05 1.0 0.02 0.02) = 0.034% QE PHE 34 - HG3 GLN 102 20.000% * 0.0341% (0.05 1.0 0.02 0.02) = 0.034% HZ PHE 34 - HG3 GLN 102 20.000% * 0.0341% (0.05 1.0 0.02 0.02) = 0.034% Peak 3617 (8.19, 2.11, 33.78 ppm): 7 chemical-shift based assignments, quality = 0.157, support = 0.02, residual support = 0.02: HN ASN 119 - HG3 GLN 102 14.286% * 22.8414% (0.20 0.02 0.02) = 22.841% kept HN LYS+ 120 - HG3 GLN 102 14.286% * 21.8485% (0.19 0.02 0.02) = 21.848% kept HN ALA 33 - HG3 GLN 102 14.286% * 20.5305% (0.18 0.02 0.02) = 20.530% kept HN LYS+ 117 - HG3 GLN 102 14.286% * 15.3111% (0.13 0.02 0.02) = 15.311% kept HN SER 41 - HG3 GLN 102 14.286% * 8.8829% (0.08 0.02 0.02) = 8.883% kept HN GLU- 45 - HG3 GLN 102 14.286% * 5.9017% (0.05 0.02 0.02) = 5.902% kept HN ALA 11 - HG3 GLN 102 14.286% * 4.6839% (0.04 0.02 0.02) = 4.684% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3618 (8.92, 2.11, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.15, support = 3.32, residual support = 22.6: HN GLN 102 - HG3 GLN 102 25.000% * 99.2847% (0.15 3.35 22.76) = 99.285% kept HN PHE 21 - HG3 GLN 102 25.000% * 0.3065% (0.08 0.02 0.02) = 0.306% HN THR 96 - HG3 GLN 102 25.000% * 0.2270% (0.06 0.02 0.02) = 0.227% HN ARG+ 22 - HG3 GLN 102 25.000% * 0.1818% (0.05 0.02 0.02) = 0.182% Peak 3619 (9.07, 1.85, 34.49 ppm): 4 chemical-shift based assignments, quality = 0.95, support = 1.23, residual support = 4.73: O HN LYS+ 66 - HB2 LYS+ 66 25.000% * 99.7502% (0.95 10.0 1.23 4.74) = 99.750% kept HN GLU- 54 - HB2 LYS+ 66 25.000% * 0.1587% (0.93 1.0 0.02 0.02) = 0.159% HN LYS+ 66 - HB3 LYS+ 72 25.000% * 0.0460% (0.27 1.0 0.02 0.02) = 0.046% HN GLU- 54 - HB3 LYS+ 72 25.000% * 0.0451% (0.27 1.0 0.02 0.02) = 0.045% Peak 3620 (6.65, 2.11, 33.78 ppm): 1 chemical-shift based assignment, quality = 0.196, support = 1.41, residual support = 22.8: O HE21 GLN 102 - HG3 GLN 102 100.000% *100.0000% (0.20 10.0 1.41 22.76) = 100.000% kept Peak 3621 (6.66, 2.24, 33.78 ppm): 2 chemical-shift based assignments, quality = 0.221, support = 0.883, residual support = 1.51: HE21 GLN 102 - HG3 MET 126 50.000% * 99.6461% (0.22 0.89 1.52) = 99.646% kept HE21 GLN 102 - HB2 LYS+ 113 50.000% * 0.3539% (0.03 0.02 0.02) = 0.354% Peak 3622 (-0.03, 1.85, 33.99 ppm): 1 chemical-shift based assignment, quality = 0.105, support = 0.106, residual support = 0.106: 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 0.22 Peak unassigned. Peak 3623 (0.01, 2.21, 34.10 ppm): 4 chemical-shift based assignments, quality = 0.523, support = 0.69, residual support = 0.0199: QG2 ILE 19 - HG3 MET 126 25.000% * 96.1921% (0.53 0.72 0.02) = 96.192% kept QG2 ILE 19 - HG2 MET 126 25.000% * 1.9597% (0.39 0.02 0.02) = 1.960% kept QG2 ILE 19 - HG2 GLN 16 25.000% * 1.2253% (0.24 0.02 0.02) = 1.225% kept QG2 ILE 19 - HG2 GLN 102 25.000% * 0.6229% (0.12 0.02 0.02) = 0.623% Peak 3624 (0.02, 2.28, 34.10 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3625 (7.53, 1.67, 33.13 ppm): 1 chemical-shift based assignment, quality = 0.373, support = 1.38, residual support = 2.65: HN ASP- 82 - HB2 HIS+ 8 100.000% *100.0000% (0.37 1.38 2.65) = 100.000% kept Peak 3626 (8.25, 1.67, 33.13 ppm): 11 chemical-shift based assignments, quality = 0.26, support = 1.15, residual support = 4.18: HN LYS+ 81 - HB2 HIS+ 8 9.091% * 67.8941% (0.29 1.50 3.99) = 67.894% kept HN HIS+ 7 - HB2 HIS+ 8 9.091% * 19.7076% (0.20 0.63 7.48) = 19.708% kept HN LEU 67 - HB2 HIS+ 8 9.091% * 5.9304% (0.29 0.13 0.02) = 5.930% kept HN THR 106 - HB2 HIS+ 8 9.091% * 1.1432% (0.36 0.02 0.02) = 1.143% kept HN ASP- 115 - HB2 HIS+ 8 9.091% * 1.0935% (0.34 0.02 0.02) = 1.093% kept HN GLU- 12 - HB2 HIS+ 8 9.091% * 1.0275% (0.32 0.02 0.02) = 1.027% kept HN MET 118 - HB2 HIS+ 8 9.091% * 0.8601% (0.27 0.02 0.02) = 0.860% HN GLN 16 - HB2 HIS+ 8 9.091% * 0.7663% (0.24 0.02 0.02) = 0.766% HN GLY 58 - HB2 HIS+ 8 9.091% * 0.7663% (0.24 0.02 0.02) = 0.766% HN SER 49 - HB2 HIS+ 8 9.091% * 0.5766% (0.18 0.02 0.02) = 0.577% HN ASN 89 - HB2 HIS+ 8 9.091% * 0.2344% (0.07 0.02 0.02) = 0.234% Peak 3627 (3.68, 1.67, 33.13 ppm): 6 chemical-shift based assignments, quality = 0.362, support = 1.37, residual support = 3.62: HA LYS+ 81 - HB2 HIS+ 8 16.667% * 90.7944% (0.37 1.50 3.99) = 90.794% kept HA ASN 89 - HB2 HIS+ 8 16.667% * 5.2019% (0.26 0.12 0.02) = 5.202% kept HA ILE 48 - HB2 HIS+ 8 16.667% * 1.2206% (0.37 0.02 0.02) = 1.221% kept HD2 PRO 52 - HB2 HIS+ 8 16.667% * 1.1972% (0.37 0.02 0.02) = 1.197% kept HA SER 27 - HB2 HIS+ 8 16.667% * 1.1275% (0.34 0.02 0.02) = 1.127% kept HB2 HIS+ 4 - HB2 HIS+ 8 16.667% * 0.4584% (0.14 0.02 0.02) = 0.458% Peak 3628 (1.67, 1.67, 33.13 ppm): 1 diagonal assignment: HB2 HIS+ 8 - HB2 HIS+ 8 (0.21) kept 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): 10 chemical-shift based assignments, quality = 0.596, support = 3.96, residual support = 19.7: O HN LYS+ 20 - HB3 LYS+ 20 10.000% * 55.4071% (0.65 10.0 4.10 19.76) = 55.407% kept O HN LYS+ 20 - HB2 LYS+ 20 10.000% * 44.4652% (0.52 10.0 3.79 19.76) = 44.465% kept HN THR 39 - HB3 LYS+ 20 10.000% * 0.0236% (0.28 1.0 0.02 0.02) = 0.024% HN VAL 80 - HB3 LYS+ 20 10.000% * 0.0215% (0.25 1.0 0.02 0.02) = 0.022% HN THR 39 - HB2 LYS+ 20 10.000% * 0.0189% (0.22 1.0 0.02 0.02) = 0.019% HN VAL 80 - HB2 LYS+ 20 10.000% * 0.0173% (0.20 1.0 0.02 0.02) = 0.017% HN VAL 73 - HB3 LYS+ 20 10.000% * 0.0143% (0.17 1.0 0.02 0.02) = 0.014% HN VAL 73 - HB2 LYS+ 20 10.000% * 0.0115% (0.14 1.0 0.02 0.02) = 0.011% HN SER 85 - HB3 LYS+ 20 10.000% * 0.0114% (0.13 1.0 0.02 0.02) = 0.011% HN SER 85 - HB2 LYS+ 20 10.000% * 0.0091% (0.11 1.0 0.02 0.02) = 0.009% 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): 14 chemical-shift based assignments, quality = 0.542, support = 2.84, residual support = 5.71: T HD3 PRO 31 - HB3 LYS+ 20 7.143% * 49.2210% (0.61 10.00 3.66 6.22) = 49.221% kept T HD3 PRO 31 - HB2 LYS+ 20 7.143% * 41.9434% (0.52 10.00 2.18 6.22) = 41.943% kept HA1 GLY 30 - HB3 LYS+ 20 7.143% * 2.7743% (0.37 1.00 1.86 0.38) = 2.774% kept HA ASN 89 - HB3 LYS+ 20 7.143% * 1.7851% (0.29 1.00 1.50 0.70) = 1.785% kept HA ASN 89 - HB2 LYS+ 20 7.143% * 1.5259% (0.25 1.00 1.51 0.70) = 1.526% kept HA1 GLY 30 - HB2 LYS+ 20 7.143% * 1.4669% (0.32 1.00 1.15 0.38) = 1.467% kept HA1 GLY 71 - HB3 LYS+ 20 7.143% * 0.6640% (0.59 1.00 0.28 0.02) = 0.664% HA1 GLY 71 - HB2 LYS+ 20 7.143% * 0.5223% (0.50 1.00 0.26 0.02) = 0.522% HA VAL 80 - HB3 LYS+ 20 7.143% * 0.0213% (0.26 1.00 0.02 0.02) = 0.021% HA VAL 80 - HB2 LYS+ 20 7.143% * 0.0181% (0.22 1.00 0.02 0.02) = 0.018% HA ILE 48 - HB3 LYS+ 20 7.143% * 0.0169% (0.21 1.00 0.02 0.02) = 0.017% HA ILE 48 - HB2 LYS+ 20 7.143% * 0.0144% (0.18 1.00 0.02 0.02) = 0.014% HB3 SER 69 - HB3 LYS+ 20 7.143% * 0.0141% (0.18 1.00 0.02 0.02) = 0.014% HB3 SER 69 - HB2 LYS+ 20 7.143% * 0.0121% (0.15 1.00 0.02 0.02) = 0.012% Peak 3637 (1.95, 1.37, 36.77 ppm): 24 chemical-shift based assignments, quality = 0.489, support = 0.918, residual support = 0.947: T HB2 PRO 116 - HB2 LYS+ 20 4.167% * 24.1112% (0.34 10.00 1.15 0.12) = 24.111% kept T HB2 PRO 116 - HB3 LYS+ 20 4.167% * 22.2923% (0.40 10.00 0.91 0.12) = 22.292% kept T HB3 LYS+ 55 - HB3 LYS+ 20 4.167% * 15.5997% (0.69 10.00 0.37 0.02) = 15.600% kept T HB3 LYS+ 55 - HB2 LYS+ 20 4.167% * 13.8779% (0.59 10.00 0.38 0.02) = 13.878% kept HG3 PRO 31 - HB3 LYS+ 20 4.167% * 7.1065% (0.70 1.00 1.65 6.22) = 7.106% kept HG3 PRO 31 - HB2 LYS+ 20 4.167% * 7.0126% (0.59 1.00 1.91 6.22) = 7.013% kept HB ILE 29 - HB3 LYS+ 20 4.167% * 2.0801% (0.22 1.00 1.55 0.02) = 2.080% kept HG3 PRO 116 - HB3 LYS+ 20 4.167% * 1.9590% (0.65 1.00 0.49 0.12) = 1.959% kept HB2 GLU- 75 - HB2 LYS+ 20 4.167% * 1.8169% (0.52 1.00 0.57 0.12) = 1.817% kept HG3 PRO 116 - HB2 LYS+ 20 4.167% * 1.5295% (0.55 1.00 0.45 0.12) = 1.530% kept HB ILE 29 - HB2 LYS+ 20 4.167% * 1.4423% (0.18 1.00 1.26 0.02) = 1.442% kept HB2 GLU- 75 - HB3 LYS+ 20 4.167% * 0.5783% (0.61 1.00 0.15 0.12) = 0.578% HB VAL 13 - HB3 LYS+ 20 4.167% * 0.0780% (0.63 1.00 0.02 0.02) = 0.078% HB VAL 122 - HB3 LYS+ 20 4.167% * 0.0726% (0.59 1.00 0.02 0.02) = 0.073% HB3 GLU- 109 - HB3 LYS+ 20 4.167% * 0.0696% (0.56 1.00 0.02 0.02) = 0.070% HB VAL 13 - HB2 LYS+ 20 4.167% * 0.0664% (0.54 1.00 0.02 0.02) = 0.066% HB VAL 122 - HB2 LYS+ 20 4.167% * 0.0619% (0.50 1.00 0.02 0.02) = 0.062% HB3 GLU- 109 - HB2 LYS+ 20 4.167% * 0.0593% (0.48 1.00 0.02 0.02) = 0.059% HG2 PRO 112 - HB3 LYS+ 20 4.167% * 0.0562% (0.45 1.00 0.02 0.02) = 0.056% HG2 PRO 112 - HB2 LYS+ 20 4.167% * 0.0479% (0.39 1.00 0.02 0.02) = 0.048% HG3 PRO 104 - HB3 LYS+ 20 4.167% * 0.0268% (0.22 1.00 0.02 0.02) = 0.027% HG3 PRO 104 - HB2 LYS+ 20 4.167% * 0.0229% (0.18 1.00 0.02 0.02) = 0.023% HB3 PRO 35 - HB3 LYS+ 20 4.167% * 0.0172% (0.14 1.00 0.02 0.02) = 0.017% HB3 PRO 35 - HB2 LYS+ 20 4.167% * 0.0147% (0.12 1.00 0.02 0.02) = 0.015% Peak 3638 (2.73, 1.37, 36.77 ppm): 12 chemical-shift based assignments, quality = 0.571, support = 1.61, residual support = 9.78: HB3 PHE 21 - HB3 LYS+ 20 8.333% * 23.2343% (0.67 1.79 5.20) = 23.234% kept HE3 LYS+ 20 - HB2 LYS+ 20 8.333% * 19.6544% (0.46 2.20 19.76) = 19.654% kept HE3 LYS+ 20 - HB3 LYS+ 20 8.333% * 19.2217% (0.54 1.83 19.76) = 19.222% kept HB3 PHE 21 - HB2 LYS+ 20 8.333% * 16.6665% (0.57 1.51 5.20) = 16.667% kept HA1 GLY 58 - HB3 LYS+ 20 8.333% * 12.2466% (0.67 0.93 0.12) = 12.247% kept HA1 GLY 58 - HB2 LYS+ 20 8.333% * 6.9783% (0.57 0.62 0.12) = 6.978% kept HB3 ASP- 115 - HB2 LYS+ 20 8.333% * 1.0688% (0.60 0.09 0.17) = 1.069% kept HB3 ASP- 115 - HB3 LYS+ 20 8.333% * 0.2746% (0.70 0.02 0.17) = 0.275% HB3 HIS+ 6 - HB3 LYS+ 20 8.333% * 0.2199% (0.56 0.02 0.02) = 0.220% HB3 HIS+ 6 - HB2 LYS+ 20 8.333% * 0.1873% (0.48 0.02 0.02) = 0.187% HB2 HIS+ 5 - HB3 LYS+ 20 8.333% * 0.1336% (0.34 0.02 0.02) = 0.134% HB2 HIS+ 5 - HB2 LYS+ 20 8.333% * 0.1139% (0.29 0.02 0.02) = 0.114% Peak 3639 (1.14, 1.89, 37.09 ppm): 6 chemical-shift based assignments, quality = 0.539, support = 1.25, residual support = 1.6: QB ALA 33 - HG2 GLU- 18 16.667% * 42.6886% (0.54 1.59 2.25) = 42.689% kept HG LEU 74 - HG2 GLU- 18 16.667% * 33.9360% (0.56 1.22 1.47) = 33.936% kept HG3 LYS+ 32 - HG2 GLU- 18 16.667% * 20.3778% (0.54 0.76 0.62) = 20.378% kept QG2 THR 96 - HG2 GLU- 18 16.667% * 2.3606% (0.30 0.16 0.49) = 2.361% kept HD3 LYS+ 111 - HG2 GLU- 18 16.667% * 0.4984% (0.50 0.02 0.02) = 0.498% HG3 PRO 59 - HG2 GLU- 18 16.667% * 0.1386% (0.14 0.02 0.02) = 0.139% Peak 3640 (0.84, 1.89, 37.09 ppm): 15 chemical-shift based assignments, quality = 0.287, support = 0.958, residual support = 5.65: QD2 LEU 17 - HG2 GLU- 18 6.667% * 37.2465% (0.25 1.00 1.69 14.21) = 37.246% kept HG LEU 74 - HG2 GLU- 18 6.667% * 23.2640% (0.22 1.00 1.22 1.47) = 23.264% kept T QD1 ILE 29 - HG2 GLU- 18 6.667% * 9.6381% (0.55 10.00 0.02 0.02) = 9.638% kept T QG1 VAL 13 - HG2 GLU- 18 6.667% * 9.0769% (0.52 10.00 0.02 0.02) = 9.077% kept HG3 LYS+ 113 - HG2 GLU- 18 6.667% * 6.6463% (0.32 1.00 0.24 0.17) = 6.646% kept QD2 LEU 90 - HG2 GLU- 18 6.667% * 5.7553% (0.19 1.00 0.34 0.02) = 5.755% kept HB ILE 101 - HG2 GLU- 18 6.667% * 3.5466% (0.30 1.00 0.14 0.02) = 3.547% kept QG2 VAL 13 - HG2 GLU- 18 6.667% * 0.8818% (0.50 1.00 0.02 0.02) = 0.882% HG2 LYS+ 117 - HG2 GLU- 18 6.667% * 0.8213% (0.47 1.00 0.02 0.02) = 0.821% HG2 LYS+ 113 - HG2 GLU- 18 6.667% * 0.7515% (0.43 1.00 0.02 0.17) = 0.751% QG1 VAL 94 - HG2 GLU- 18 6.667% * 0.6754% (0.39 1.00 0.02 0.02) = 0.675% HG3 LYS+ 117 - HG2 GLU- 18 6.667% * 0.6754% (0.39 1.00 0.02 0.02) = 0.675% QG2 ILE 100 - HG2 GLU- 18 6.667% * 0.6745% (0.10 1.00 0.08 0.02) = 0.674% QD1 LEU 90 - HG2 GLU- 18 6.667% * 0.1946% (0.11 1.00 0.02 0.02) = 0.195% QD2 LEU 67 - HG2 GLU- 18 6.667% * 0.1517% (0.09 1.00 0.02 0.02) = 0.152% Peak 3641 (0.68, 1.89, 37.09 ppm): 7 chemical-shift based assignments, quality = 0.468, support = 1.79, residual support = 3.05: QD1 ILE 19 - HG2 GLU- 18 14.286% * 52.7474% (0.45 2.40 3.53) = 52.747% kept HG12 ILE 19 - HG2 GLU- 18 14.286% * 33.5290% (0.50 1.36 3.53) = 33.529% kept QG2 VAL 94 - HG2 GLU- 18 14.286% * 12.6908% (0.49 0.53 0.02) = 12.691% kept QG1 VAL 62 - HG2 GLU- 18 14.286% * 0.5067% (0.52 0.02 0.02) = 0.507% HG LEU 67 - HG2 GLU- 18 14.286% * 0.1872% (0.19 0.02 0.02) = 0.187% HB2 LEU 9 - HG2 GLU- 18 14.286% * 0.1694% (0.17 0.02 0.02) = 0.169% HG2 PRO 59 - HG2 GLU- 18 14.286% * 0.1694% (0.17 0.02 0.02) = 0.169% Peak 3642 (0.39, 2.13, 36.88 ppm): 3 chemical-shift based assignments, quality = 0.391, support = 1.53, residual support = 1.85: QD1 ILE 48 - HG3 GLU- 56 33.333% * 60.8114% (0.44 1.86 1.85) = 60.811% kept HG12 ILE 48 - HG3 GLU- 56 33.333% * 22.4735% (0.44 0.69 1.85) = 22.474% kept HG13 ILE 48 - HG3 GLU- 56 33.333% * 16.7150% (0.15 1.47 1.85) = 16.715% kept Peak 3643 (4.23, 2.13, 36.90 ppm): 20 chemical-shift based assignments, quality = 0.214, support = 1.27, residual support = 2.8: O HA GLU- 56 - HG3 GLU- 56 5.000% * 57.8585% (0.09 10.0 1.70 4.54) = 57.858% kept HA SER 49 - HG3 GLU- 56 5.000% * 15.9083% (0.46 1.0 0.93 0.60) = 15.908% kept HB3 SER 49 - HG3 GLU- 56 5.000% * 12.2055% (0.37 1.0 0.88 0.60) = 12.206% kept HA GLU- 54 - HG3 GLU- 56 5.000% * 5.4246% (0.44 1.0 0.33 0.02) = 5.425% kept HA ASN 89 - HG3 GLU- 56 5.000% * 3.7892% (0.43 1.0 0.24 0.02) = 3.789% kept HA PRO 59 - HG3 GLU- 56 5.000% * 1.1931% (0.26 1.0 0.12 0.02) = 1.193% kept HA LYS+ 44 - HG3 GLU- 56 5.000% * 1.0380% (0.08 1.0 0.37 0.02) = 1.038% kept HA GLU- 18 - HG3 GLU- 56 5.000% * 0.3438% (0.46 1.0 0.02 0.02) = 0.344% HA HIS+ 8 - HG3 GLU- 56 5.000% * 0.3090% (0.41 1.0 0.02 0.02) = 0.309% HA ALA 42 - HG3 GLU- 56 5.000% * 0.2989% (0.40 1.0 0.02 0.02) = 0.299% HA LYS+ 110 - HG3 GLU- 56 5.000% * 0.2878% (0.38 1.0 0.02 0.02) = 0.288% HA GLU- 12 - HG3 GLU- 56 5.000% * 0.2633% (0.35 1.0 0.02 0.02) = 0.263% HA ALA 11 - HG3 GLU- 56 5.000% * 0.1951% (0.26 1.0 0.02 0.02) = 0.195% HA LYS+ 108 - HG3 GLU- 56 5.000% * 0.1813% (0.24 1.0 0.02 0.02) = 0.181% HB3 HIS+ 14 - HG3 GLU- 56 5.000% * 0.1545% (0.21 1.0 0.02 0.02) = 0.154% HA VAL 73 - HG3 GLU- 56 5.000% * 0.1342% (0.18 1.0 0.02 0.02) = 0.134% HA GLU- 109 - HG3 GLU- 56 5.000% * 0.1293% (0.17 1.0 0.02 0.02) = 0.129% HA HIS+ 4 - HG3 GLU- 56 5.000% * 0.1293% (0.17 1.0 0.02 0.02) = 0.129% HA2 GLY 114 - HG3 GLU- 56 5.000% * 0.0958% (0.13 1.0 0.02 0.02) = 0.096% HA ASP- 82 - HG3 GLU- 56 5.000% * 0.0603% (0.08 1.0 0.02 0.02) = 0.060% Peak 3644 (4.23, 2.46, 36.90 ppm): 40 chemical-shift based assignments, quality = 0.328, support = 1.48, residual support = 4.09: HA ASN 89 - HG3 GLU- 45 2.500% * 29.9391% (0.56 1.21 3.00) = 29.939% kept HA ASN 89 - HG2 GLU- 45 2.500% * 18.6261% (0.30 1.40 3.00) = 18.626% kept HA LYS+ 44 - HG3 GLU- 45 2.500% * 14.8181% (0.10 3.35 11.32) = 14.818% kept HA LYS+ 44 - HG2 GLU- 45 2.500% * 8.4021% (0.05 3.55 11.32) = 8.402% kept HA PRO 59 - HG3 GLU- 45 2.500% * 7.6027% (0.34 0.50 0.02) = 7.603% kept HA SER 49 - HG3 GLU- 45 2.500% * 5.0541% (0.60 0.19 0.02) = 5.054% kept HA SER 49 - HG2 GLU- 45 2.500% * 3.2552% (0.32 0.23 0.02) = 3.255% kept HB3 SER 49 - HG3 GLU- 45 2.500% * 2.3669% (0.48 0.11 0.02) = 2.367% kept HB3 SER 49 - HG2 GLU- 45 2.500% * 1.5245% (0.26 0.13 0.02) = 1.524% kept HA VAL 73 - HG3 GLU- 45 2.500% * 1.3258% (0.24 0.13 0.02) = 1.326% kept HA GLU- 18 - HG3 GLU- 45 2.500% * 0.5353% (0.60 0.02 0.02) = 0.535% HA GLU- 54 - HG3 GLU- 45 2.500% * 0.5178% (0.58 0.02 0.02) = 0.518% HA HIS+ 8 - HG3 GLU- 45 2.500% * 0.4812% (0.54 0.02 0.02) = 0.481% HA ALA 42 - HG3 GLU- 45 2.500% * 0.4654% (0.52 0.02 0.02) = 0.465% HA LYS+ 110 - HG3 GLU- 45 2.500% * 0.4481% (0.51 0.02 0.02) = 0.448% HA GLU- 12 - HG3 GLU- 45 2.500% * 0.4100% (0.46 0.02 0.02) = 0.410% HA ALA 11 - HG3 GLU- 45 2.500% * 0.3038% (0.34 0.02 0.23) = 0.304% HA GLU- 18 - HG2 GLU- 45 2.500% * 0.2865% (0.32 0.02 0.02) = 0.287% HA LYS+ 108 - HG3 GLU- 45 2.500% * 0.2823% (0.32 0.02 0.02) = 0.282% HA GLU- 54 - HG2 GLU- 45 2.500% * 0.2771% (0.31 0.02 0.02) = 0.277% HA HIS+ 8 - HG2 GLU- 45 2.500% * 0.2575% (0.29 0.02 0.02) = 0.258% HA ALA 42 - HG2 GLU- 45 2.500% * 0.2491% (0.28 0.02 0.02) = 0.249% HB3 HIS+ 14 - HG3 GLU- 45 2.500% * 0.2405% (0.27 0.02 0.02) = 0.241% HA LYS+ 110 - HG2 GLU- 45 2.500% * 0.2399% (0.27 0.02 0.02) = 0.240% HA GLU- 12 - HG2 GLU- 45 2.500% * 0.2195% (0.25 0.02 0.02) = 0.219% HA HIS+ 4 - HG3 GLU- 45 2.500% * 0.2014% (0.23 0.02 0.02) = 0.201% HA GLU- 109 - HG3 GLU- 45 2.500% * 0.2014% (0.23 0.02 0.02) = 0.201% HA PRO 59 - HG2 GLU- 45 2.500% * 0.1626% (0.18 0.02 0.02) = 0.163% HA ALA 11 - HG2 GLU- 45 2.500% * 0.1626% (0.18 0.02 0.23) = 0.163% HA LYS+ 108 - HG2 GLU- 45 2.500% * 0.1511% (0.17 0.02 0.02) = 0.151% HA2 GLY 114 - HG3 GLU- 45 2.500% * 0.1492% (0.17 0.02 0.02) = 0.149% HB3 HIS+ 14 - HG2 GLU- 45 2.500% * 0.1288% (0.15 0.02 0.02) = 0.129% HA VAL 73 - HG2 GLU- 45 2.500% * 0.1119% (0.13 0.02 0.02) = 0.112% HA GLU- 109 - HG2 GLU- 45 2.500% * 0.1078% (0.12 0.02 0.02) = 0.108% HA HIS+ 4 - HG2 GLU- 45 2.500% * 0.1078% (0.12 0.02 0.02) = 0.108% HA GLU- 56 - HG3 GLU- 45 2.500% * 0.1062% (0.12 0.02 0.62) = 0.106% HA ASP- 82 - HG3 GLU- 45 2.500% * 0.0940% (0.11 0.02 0.02) = 0.094% HA2 GLY 114 - HG2 GLU- 45 2.500% * 0.0798% (0.09 0.02 0.02) = 0.080% HA GLU- 56 - HG2 GLU- 45 2.500% * 0.0568% (0.06 0.02 0.62) = 0.057% HA ASP- 82 - HG2 GLU- 45 2.500% * 0.0503% (0.06 0.02 0.02) = 0.050% Peak 3645 (3.87, 2.46, 36.90 ppm): 22 chemical-shift based assignments, quality = 0.368, support = 2.56, residual support = 8.07: HA LYS+ 44 - HG3 GLU- 45 4.545% * 40.1605% (0.41 3.35 11.32) = 40.161% kept HA LYS+ 44 - HG2 GLU- 45 4.545% * 22.7717% (0.22 3.55 11.32) = 22.772% kept HA ASN 89 - HG3 GLU- 45 4.545% * 19.4905% (0.55 1.21 3.00) = 19.490% kept HA ASN 89 - HG2 GLU- 45 4.545% * 12.1257% (0.30 1.40 3.00) = 12.126% kept HB3 SER 88 - HG3 GLU- 45 4.545% * 1.9471% (0.46 0.14 0.02) = 1.947% kept HA ILE 48 - HG3 GLU- 45 4.545% * 0.6327% (0.25 0.09 0.02) = 0.633% HB2 SER 85 - HG3 GLU- 45 4.545% * 0.3528% (0.61 0.02 0.02) = 0.353% HA VAL 125 - HG3 GLU- 45 4.545% * 0.3164% (0.54 0.02 0.02) = 0.316% HA VAL 87 - HG3 GLU- 45 4.545% * 0.3061% (0.52 0.02 0.10) = 0.306% HD2 PRO 116 - HG3 GLU- 45 4.545% * 0.2947% (0.51 0.02 0.02) = 0.295% HD2 PRO 86 - HG3 GLU- 45 4.545% * 0.2696% (0.46 0.02 0.02) = 0.270% HB2 SER 85 - HG2 GLU- 45 4.545% * 0.1889% (0.32 0.02 0.02) = 0.189% HA VAL 125 - HG2 GLU- 45 4.545% * 0.1694% (0.29 0.02 0.02) = 0.169% HA VAL 87 - HG2 GLU- 45 4.545% * 0.1638% (0.28 0.02 0.10) = 0.164% HD2 PRO 116 - HG2 GLU- 45 4.545% * 0.1577% (0.27 0.02 0.02) = 0.158% HB3 SER 88 - HG2 GLU- 45 4.545% * 0.1443% (0.25 0.02 0.02) = 0.144% HD2 PRO 86 - HG2 GLU- 45 4.545% * 0.1443% (0.25 0.02 0.02) = 0.144% HD3 PRO 86 - HG3 GLU- 45 4.545% * 0.1204% (0.21 0.02 0.02) = 0.120% HA ILE 48 - HG2 GLU- 45 4.545% * 0.0766% (0.13 0.02 0.02) = 0.077% HB3 SER 77 - HG3 GLU- 45 4.545% * 0.0666% (0.11 0.02 0.02) = 0.067% HD3 PRO 86 - HG2 GLU- 45 4.545% * 0.0644% (0.11 0.02 0.02) = 0.064% HB3 SER 77 - HG2 GLU- 45 4.545% * 0.0356% (0.06 0.02 0.02) = 0.036% Peak 3646 (0.96, 2.46, 36.90 ppm): 16 chemical-shift based assignments, quality = 0.298, support = 1.22, residual support = 1.68: HG LEU 74 - HG3 GLU- 45 6.250% * 22.6826% (0.45 1.61 2.59) = 22.683% kept HG LEU 74 - HG2 GLU- 45 6.250% * 12.8353% (0.24 1.70 2.59) = 12.835% kept HG3 LYS+ 63 - HG3 GLU- 45 6.250% * 12.1048% (0.39 0.98 2.09) = 12.105% kept HG12 ILE 29 - HG3 GLU- 45 6.250% * 11.8480% (0.25 1.51 1.09) = 11.848% kept QG2 ILE 29 - HG2 GLU- 45 6.250% * 7.9775% (0.17 1.48 1.09) = 7.977% kept QG2 VAL 62 - HG3 GLU- 45 6.250% * 6.3128% (0.27 0.74 0.84) = 6.313% kept HG3 LYS+ 63 - HG2 GLU- 45 6.250% * 5.4844% (0.21 0.83 2.09) = 5.484% kept QG2 ILE 29 - HG3 GLU- 45 6.250% * 5.3109% (0.32 0.53 1.09) = 5.311% kept HG12 ILE 68 - HG3 GLU- 45 6.250% * 4.2667% (0.32 0.42 0.02) = 4.267% kept QG2 VAL 62 - HG2 GLU- 45 6.250% * 4.1875% (0.15 0.91 0.84) = 4.188% kept HG12 ILE 68 - HG2 GLU- 45 6.250% * 3.5809% (0.17 0.67 0.02) = 3.581% kept HG12 ILE 29 - HG2 GLU- 45 6.250% * 3.2156% (0.13 0.77 1.09) = 3.216% kept QG1 VAL 105 - HG3 GLU- 45 6.250% * 0.0669% (0.11 0.02 0.02) = 0.067% QD1 LEU 17 - HG3 GLU- 45 6.250% * 0.0589% (0.09 0.02 0.02) = 0.059% QG1 VAL 105 - HG2 GLU- 45 6.250% * 0.0358% (0.06 0.02 0.02) = 0.036% QD1 LEU 17 - HG2 GLU- 45 6.250% * 0.0315% (0.05 0.02 0.02) = 0.032% Peak 3647 (2.12, 2.46, 36.90 ppm): 20 chemical-shift based assignments, quality = 0.176, support = 1.21, residual support = 1.65: T HA1 GLY 58 - HG3 GLU- 45 5.000% * 44.1376% (0.13 10.00 1.67 2.31) = 44.138% kept T HA1 GLY 58 - HG2 GLU- 45 5.000% * 21.6072% (0.07 10.00 1.53 2.31) = 21.607% kept T HG3 GLU- 56 - HG2 GLU- 45 5.000% * 17.9129% (0.22 10.00 0.40 0.62) = 17.913% kept HB3 GLU- 75 - HG3 GLU- 45 5.000% * 6.6936% (0.53 1.00 0.62 0.02) = 6.694% kept HB3 GLU- 75 - HG2 GLU- 45 5.000% * 3.3033% (0.29 1.00 0.57 0.02) = 3.303% kept HB2 ASP- 28 - HG3 GLU- 45 5.000% * 2.0842% (0.44 1.00 0.23 0.02) = 2.084% kept T HG3 GLU- 56 - HG3 GLU- 45 5.000% * 1.6841% (0.42 10.00 0.02 0.62) = 1.684% kept HB3 LEU 43 - HG2 GLU- 45 5.000% * 1.2796% (0.21 1.00 0.30 0.02) = 1.280% kept HB2 ASP- 28 - HG2 GLU- 45 5.000% * 0.3854% (0.24 1.00 0.08 0.02) = 0.385% HB VAL 47 - HG3 GLU- 45 5.000% * 0.1780% (0.44 1.00 0.02 0.02) = 0.178% HB3 LEU 43 - HG3 GLU- 45 5.000% * 0.1586% (0.39 1.00 0.02 0.02) = 0.159% HG3 GLN 102 - HG3 GLU- 45 5.000% * 0.1290% (0.32 1.00 0.02 0.02) = 0.129% HB VAL 47 - HG2 GLU- 45 5.000% * 0.0953% (0.24 1.00 0.02 0.02) = 0.095% HG3 GLN 102 - HG2 GLU- 45 5.000% * 0.0690% (0.17 1.00 0.02 0.02) = 0.069% HB3 LYS+ 78 - HG3 GLU- 45 5.000% * 0.0682% (0.17 1.00 0.02 0.02) = 0.068% HB VAL 65 - HG3 GLU- 45 5.000% * 0.0611% (0.15 1.00 0.02 0.02) = 0.061% HB VAL 87 - HG3 GLU- 45 5.000% * 0.0546% (0.13 1.00 0.02 0.10) = 0.055% HB3 LYS+ 78 - HG2 GLU- 45 5.000% * 0.0365% (0.09 1.00 0.02 0.02) = 0.036% HB VAL 65 - HG2 GLU- 45 5.000% * 0.0327% (0.08 1.00 0.02 0.02) = 0.033% HB VAL 87 - HG2 GLU- 45 5.000% * 0.0292% (0.07 1.00 0.02 0.10) = 0.029% Not enough quality. Peak unassigned. 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): 28 chemical-shift based assignments, quality = 0.578, support = 0.719, residual support = 1.2: HA GLN 102 - HG3 GLU- 18 3.571% * 33.2196% (0.68 0.77 0.60) = 33.220% kept HA ALA 33 - HG3 GLU- 18 3.571% * 30.1524% (0.68 0.70 2.25) = 30.152% kept HA HIS+ 98 - HG3 GLU- 18 3.571% * 16.8519% (0.78 0.34 0.26) = 16.852% kept HA ASN 89 - HG3 GLU- 18 3.571% * 12.1210% (0.12 1.58 2.30) = 12.121% kept HA ASN 89 - HG3 GLU- 107 3.571% * 1.0691% (0.07 0.25 0.02) = 1.069% kept HA ASN 89 - HG3 GLU- 75 3.571% * 0.7188% (0.03 0.45 0.02) = 0.719% HA HIS+ 98 - HG3 GLU- 107 3.571% * 0.5547% (0.44 0.02 0.02) = 0.555% HA GLN 102 - HG3 GLU- 107 3.571% * 0.4812% (0.38 0.02 0.02) = 0.481% HA ALA 33 - HG3 GLU- 107 3.571% * 0.4812% (0.38 0.02 0.02) = 0.481% HA ASN 89 - HG3 GLU- 109 3.571% * 0.4463% (0.05 0.13 0.02) = 0.446% HA HIS+ 98 - HG3 GLU- 109 3.571% * 0.4434% (0.35 0.02 0.02) = 0.443% HA HIS+ 98 - HG3 GLU- 54 3.571% * 0.4370% (0.34 0.02 0.02) = 0.437% HA ALA 33 - HG3 GLU- 109 3.571% * 0.3846% (0.30 0.02 0.02) = 0.385% HA GLN 102 - HG3 GLU- 109 3.571% * 0.3846% (0.30 0.02 0.02) = 0.385% HA GLN 102 - HG3 GLU- 54 3.571% * 0.3790% (0.30 0.02 0.02) = 0.379% HA ALA 33 - HG3 GLU- 54 3.571% * 0.3790% (0.30 0.02 0.02) = 0.379% HA HIS+ 98 - HG3 GLU- 75 3.571% * 0.2071% (0.16 0.02 0.02) = 0.207% HA HIS+ 98 - HG2 GLU- 56 3.571% * 0.1937% (0.15 0.02 0.02) = 0.194% HA GLN 102 - HG3 GLU- 75 3.571% * 0.1796% (0.14 0.02 0.11) = 0.180% HA ALA 33 - HG3 GLU- 75 3.571% * 0.1796% (0.14 0.02 0.02) = 0.180% HA GLN 102 - HG2 GLU- 56 3.571% * 0.1680% (0.13 0.02 0.02) = 0.168% HA ALA 33 - HG2 GLU- 56 3.571% * 0.1680% (0.13 0.02 0.02) = 0.168% HA ASN 89 - HG3 GLU- 10 3.571% * 0.0850% (0.01 0.14 0.02) = 0.085% HA HIS+ 98 - HG3 GLU- 10 3.571% * 0.0797% (0.06 0.02 0.02) = 0.080% HA ALA 33 - HG3 GLU- 10 3.571% * 0.0691% (0.05 0.02 0.02) = 0.069% HA GLN 102 - HG3 GLU- 10 3.571% * 0.0691% (0.05 0.02 0.02) = 0.069% HA ASN 89 - HG3 GLU- 54 3.571% * 0.0673% (0.05 0.02 0.02) = 0.067% HA ASN 89 - HG2 GLU- 56 3.571% * 0.0298% (0.02 0.02 0.02) = 0.030% Peak 3651 (4.47, 2.21, 36.97 ppm): 84 chemical-shift based assignments, quality = 0.464, support = 0.659, residual support = 0.524: T HA VAL 73 - HG3 GLU- 107 1.190% * 25.7077% (0.29 10.00 0.47 0.02) = 25.708% kept HA ASN 89 - HG3 GLU- 18 1.190% * 16.5239% (0.55 1.00 1.58 2.30) = 16.524% kept HA ALA 103 - HG3 GLU- 18 1.190% * 14.4766% (0.85 1.00 0.90 0.49) = 14.477% kept T HA VAL 73 - HG3 GLU- 109 1.190% * 13.4263% (0.23 10.00 0.31 0.02) = 13.426% kept HA LYS+ 32 - HG3 GLU- 18 1.190% * 10.3446% (0.84 1.00 0.65 0.62) = 10.345% kept HA VAL 73 - HG3 GLU- 18 1.190% * 5.3730% (0.51 1.00 0.55 0.02) = 5.373% kept HA ILE 101 - HG3 GLU- 18 1.190% * 1.6981% (0.76 1.00 0.12 0.02) = 1.698% kept HA ASN 89 - HG3 GLU- 107 1.190% * 1.4574% (0.31 1.00 0.25 0.02) = 1.457% kept HA VAL 99 - HG3 GLU- 18 1.190% * 1.1927% (0.48 1.00 0.13 0.02) = 1.193% kept HA ILE 100 - HG3 GLU- 18 1.190% * 1.1805% (0.78 1.00 0.08 0.02) = 1.181% kept HA ASN 89 - HG3 GLU- 75 1.190% * 0.9798% (0.11 1.00 0.45 0.02) = 0.980% T HA VAL 73 - HG3 GLU- 54 1.190% * 0.8587% (0.23 10.00 0.02 0.02) = 0.859% HA VAL 73 - HG3 GLU- 75 1.190% * 0.7481% (0.11 1.00 0.37 0.02) = 0.748% HA ASN 89 - HG3 GLU- 109 1.190% * 0.6085% (0.24 1.00 0.13 0.02) = 0.608% HA PRO 86 - HG3 GLU- 18 1.190% * 0.3121% (0.82 1.00 0.02 0.02) = 0.312% HA GLU- 50 - HG3 GLU- 18 1.190% * 0.2348% (0.62 1.00 0.02 0.10) = 0.235% HA ALA 103 - HG3 GLU- 107 1.190% * 0.1802% (0.47 1.00 0.02 0.02) = 0.180% HA LYS+ 32 - HG3 GLU- 107 1.190% * 0.1790% (0.47 1.00 0.02 0.02) = 0.179% HA PRO 86 - HG3 GLU- 107 1.190% * 0.1743% (0.46 1.00 0.02 0.02) = 0.174% HA ILE 100 - HG3 GLU- 107 1.190% * 0.1667% (0.44 1.00 0.02 0.02) = 0.167% HA ILE 101 - HG3 GLU- 107 1.190% * 0.1620% (0.42 1.00 0.02 0.02) = 0.162% HA ALA 103 - HG3 GLU- 109 1.190% * 0.1441% (0.38 1.00 0.02 0.02) = 0.144% HA LYS+ 32 - HG3 GLU- 109 1.190% * 0.1431% (0.38 1.00 0.02 0.02) = 0.143% HA ALA 103 - HG3 GLU- 54 1.190% * 0.1420% (0.37 1.00 0.02 0.02) = 0.142% HA LYS+ 32 - HG3 GLU- 54 1.190% * 0.1410% (0.37 1.00 0.02 0.02) = 0.141% HA PRO 86 - HG3 GLU- 109 1.190% * 0.1393% (0.37 1.00 0.02 0.02) = 0.139% HA PRO 86 - HG3 GLU- 54 1.190% * 0.1373% (0.36 1.00 0.02 0.02) = 0.137% HA ILE 100 - HG3 GLU- 109 1.190% * 0.1333% (0.35 1.00 0.02 0.02) = 0.133% HA ASN 76 - HG3 GLU- 18 1.190% * 0.1329% (0.35 1.00 0.02 0.02) = 0.133% HA ILE 100 - HG3 GLU- 54 1.190% * 0.1313% (0.34 1.00 0.02 0.02) = 0.131% HA GLU- 50 - HG3 GLU- 107 1.190% * 0.1312% (0.34 1.00 0.02 0.02) = 0.131% HA ILE 101 - HG3 GLU- 109 1.190% * 0.1295% (0.34 1.00 0.02 0.02) = 0.129% HA ILE 101 - HG3 GLU- 54 1.190% * 0.1276% (0.33 1.00 0.02 0.02) = 0.128% HA ASN 89 - HG3 GLU- 10 1.190% * 0.1159% (0.04 1.00 0.14 0.02) = 0.116% HA GLU- 50 - HG3 GLU- 109 1.190% * 0.1048% (0.27 1.00 0.02 0.02) = 0.105% HA GLU- 50 - HG3 GLU- 54 1.190% * 0.1033% (0.27 1.00 0.02 0.02) = 0.103% HA VAL 99 - HG3 GLU- 107 1.190% * 0.1023% (0.27 1.00 0.02 0.02) = 0.102% HA ASN 89 - HG3 GLU- 54 1.190% * 0.0918% (0.24 1.00 0.02 0.02) = 0.092% HA VAL 99 - HG3 GLU- 109 1.190% * 0.0817% (0.21 1.00 0.02 0.02) = 0.082% HA CYS 123 - HG3 GLU- 18 1.190% * 0.0806% (0.21 1.00 0.02 0.02) = 0.081% HA VAL 99 - HG3 GLU- 54 1.190% * 0.0806% (0.21 1.00 0.02 0.02) = 0.081% HA ASN 76 - HG3 GLU- 107 1.190% * 0.0743% (0.19 1.00 0.02 0.02) = 0.074% HA ALA 103 - HG3 GLU- 75 1.190% * 0.0673% (0.18 1.00 0.02 0.02) = 0.067% HA LYS+ 32 - HG3 GLU- 75 1.190% * 0.0668% (0.18 1.00 0.02 0.02) = 0.067% HA PRO 86 - HG3 GLU- 75 1.190% * 0.0651% (0.17 1.00 0.02 0.02) = 0.065% HA ALA 103 - HG2 GLU- 56 1.190% * 0.0629% (0.17 1.00 0.02 0.21) = 0.063% HA LYS+ 32 - HG2 GLU- 56 1.190% * 0.0625% (0.16 1.00 0.02 0.02) = 0.063% HA ILE 100 - HG3 GLU- 75 1.190% * 0.0622% (0.16 1.00 0.02 0.02) = 0.062% HA PRO 86 - HG2 GLU- 56 1.190% * 0.0609% (0.16 1.00 0.02 0.02) = 0.061% HA ILE 101 - HG3 GLU- 75 1.190% * 0.0605% (0.16 1.00 0.02 3.08) = 0.060% HA ASN 76 - HG3 GLU- 109 1.190% * 0.0594% (0.16 1.00 0.02 0.02) = 0.059% HA ASN 76 - HG3 GLU- 54 1.190% * 0.0585% (0.15 1.00 0.02 0.02) = 0.058% HA ILE 100 - HG2 GLU- 56 1.190% * 0.0582% (0.15 1.00 0.02 0.02) = 0.058% HA SER 77 - HG3 GLU- 18 1.190% * 0.0566% (0.15 1.00 0.02 0.02) = 0.057% HA ILE 101 - HG2 GLU- 56 1.190% * 0.0566% (0.15 1.00 0.02 0.02) = 0.057% HA GLU- 50 - HG3 GLU- 75 1.190% * 0.0490% (0.13 1.00 0.02 0.02) = 0.049% HA GLU- 50 - HG2 GLU- 56 1.190% * 0.0458% (0.12 1.00 0.02 0.02) = 0.046% HA CYS 123 - HG3 GLU- 107 1.190% * 0.0450% (0.12 1.00 0.02 0.02) = 0.045% HA ASN 89 - HG2 GLU- 56 1.190% * 0.0407% (0.11 1.00 0.02 0.02) = 0.041% HA VAL 99 - HG3 GLU- 75 1.190% * 0.0382% (0.10 1.00 0.02 0.02) = 0.038% HA VAL 73 - HG2 GLU- 56 1.190% * 0.0381% (0.10 1.00 0.02 0.02) = 0.038% HA CYS 123 - HG3 GLU- 109 1.190% * 0.0360% (0.09 1.00 0.02 0.02) = 0.036% HA VAL 99 - HG2 GLU- 56 1.190% * 0.0357% (0.09 1.00 0.02 0.02) = 0.036% HA CYS 123 - HG3 GLU- 54 1.190% * 0.0355% (0.09 1.00 0.02 0.02) = 0.035% HA SER 77 - HG3 GLU- 107 1.190% * 0.0316% (0.08 1.00 0.02 0.02) = 0.032% HA ASN 76 - HG3 GLU- 75 1.190% * 0.0277% (0.07 1.00 0.02 0.22) = 0.028% HA ASN 76 - HG2 GLU- 56 1.190% * 0.0259% (0.07 1.00 0.02 0.02) = 0.026% HA ALA 103 - HG3 GLU- 10 1.190% * 0.0259% (0.07 1.00 0.02 0.02) = 0.026% HA LYS+ 32 - HG3 GLU- 10 1.190% * 0.0257% (0.07 1.00 0.02 0.02) = 0.026% HA SER 77 - HG3 GLU- 109 1.190% * 0.0253% (0.07 1.00 0.02 0.02) = 0.025% HA PRO 86 - HG3 GLU- 10 1.190% * 0.0250% (0.07 1.00 0.02 0.02) = 0.025% HA SER 77 - HG3 GLU- 54 1.190% * 0.0249% (0.07 1.00 0.02 0.02) = 0.025% HA ILE 100 - HG3 GLU- 10 1.190% * 0.0239% (0.06 1.00 0.02 0.02) = 0.024% HA ILE 101 - HG3 GLU- 10 1.190% * 0.0233% (0.06 1.00 0.02 0.02) = 0.023% HA GLU- 50 - HG3 GLU- 10 1.190% * 0.0188% (0.05 1.00 0.02 0.02) = 0.019% HA CYS 123 - HG3 GLU- 75 1.190% * 0.0168% (0.04 1.00 0.02 0.02) = 0.017% HA CYS 123 - HG2 GLU- 56 1.190% * 0.0157% (0.04 1.00 0.02 0.02) = 0.016% HA VAL 73 - HG3 GLU- 10 1.190% * 0.0157% (0.04 1.00 0.02 0.02) = 0.016% HA VAL 99 - HG3 GLU- 10 1.190% * 0.0147% (0.04 1.00 0.02 0.02) = 0.015% HA SER 77 - HG3 GLU- 75 1.190% * 0.0118% (0.03 1.00 0.02 0.02) = 0.012% HA SER 77 - HG2 GLU- 56 1.190% * 0.0110% (0.03 1.00 0.02 0.02) = 0.011% HA ASN 76 - HG3 GLU- 10 1.190% * 0.0107% (0.03 1.00 0.02 0.02) = 0.011% HA CYS 123 - HG3 GLU- 10 1.190% * 0.0065% (0.02 1.00 0.02 0.02) = 0.006% HA SER 77 - HG3 GLU- 10 1.190% * 0.0045% (0.01 1.00 0.02 0.02) = 0.005% Peak 3652 (4.93, 1.89, 37.06 ppm): 4 chemical-shift based assignments, quality = 0.505, support = 1.38, residual support = 1.35: HA ALA 33 - HG2 GLU- 18 25.000% * 41.1696% (0.52 1.71 2.25) = 41.170% kept HA GLN 102 - HG2 GLU- 18 25.000% * 29.9265% (0.52 1.24 0.60) = 29.926% kept HA HIS+ 98 - HG2 GLU- 18 25.000% * 20.7291% (0.60 0.75 0.26) = 20.729% kept HA ASN 89 - HG2 GLU- 18 25.000% * 8.1748% (0.09 1.91 2.30) = 8.175% kept Peak 3653 (4.46, 1.89, 37.06 ppm): 12 chemical-shift based assignments, quality = 0.553, support = 1.29, residual support = 0.836: HA LYS+ 32 - HG2 GLU- 18 8.333% * 28.5269% (0.62 1.54 0.62) = 28.527% kept HA ASN 89 - HG2 GLU- 18 8.333% * 24.5327% (0.43 1.91 2.30) = 24.533% kept HA ALA 103 - HG2 GLU- 18 8.333% * 18.7079% (0.60 1.03 0.49) = 18.708% kept HA ILE 101 - HG2 GLU- 18 8.333% * 16.5330% (0.65 0.84 0.02) = 16.533% kept HA VAL 73 - HG2 GLU- 18 8.333% * 7.4400% (0.42 0.59 0.02) = 7.440% kept HA VAL 99 - HG2 GLU- 18 8.333% * 1.7606% (0.55 0.11 0.02) = 1.761% kept HA ILE 100 - HG2 GLU- 18 8.333% * 1.5351% (0.65 0.08 0.02) = 1.535% kept HA PRO 86 - HG2 GLU- 18 8.333% * 0.3850% (0.64 0.02 0.02) = 0.385% HA GLU- 50 - HG2 GLU- 18 8.333% * 0.3716% (0.62 0.02 0.10) = 0.372% HA ASN 76 - HG2 GLU- 18 8.333% * 0.0777% (0.13 0.02 0.02) = 0.078% HB THR 24 - HG2 GLU- 18 8.333% * 0.0688% (0.11 0.02 0.02) = 0.069% HA LYS+ 111 - HG2 GLU- 18 8.333% * 0.0606% (0.10 0.02 0.02) = 0.061% Peak 3654 (1.28, 1.59, 36.44 ppm): 5 chemical-shift based assignments, quality = 0.426, support = 3.44, residual support = 36.2: O T HG2 LYS+ 32 - HB3 LYS+ 32 20.000% * 96.2876% (0.43 10.0 10.00 3.55 37.58) = 96.288% kept HG LEU 74 - HB3 LYS+ 32 20.000% * 2.4617% (0.36 1.0 1.00 0.60 0.11) = 2.462% kept HB2 LYS+ 55 - HB3 LYS+ 32 20.000% * 1.1346% (0.23 1.0 1.00 0.45 2.36) = 1.135% kept HB3 LEU 74 - HB3 LYS+ 32 20.000% * 0.0871% (0.39 1.0 1.00 0.02 0.11) = 0.087% QG2 THR 46 - HB3 LYS+ 32 20.000% * 0.0290% (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 = 3.17, residual support = 33.5: O HG3 LYS+ 32 - HB3 LYS+ 32 16.667% * 83.8946% (0.46 10.0 3.26 37.58) = 83.895% kept QB ALA 33 - HB3 LYS+ 32 16.667% * 13.3413% (0.46 1.0 3.18 14.54) = 13.341% kept HG LEU 74 - HB3 LYS+ 32 16.667% * 2.5862% (0.47 1.0 0.60 0.11) = 2.586% kept HD3 LYS+ 111 - HB3 LYS+ 32 16.667% * 0.0856% (0.47 1.0 0.02 0.02) = 0.086% QG2 THR 96 - HB3 LYS+ 32 16.667% * 0.0685% (0.37 1.0 0.02 0.02) = 0.069% QG2 THR 61 - HB3 LYS+ 32 16.667% * 0.0238% (0.13 1.0 0.02 0.02) = 0.024% Peak 3656 (4.71, 2.05, 35.94 ppm): 6 chemical-shift based assignments, quality = 0.331, support = 2.5, residual support = 20.5: O HA PRO 31 - HB3 PRO 31 16.667% * 89.2830% (0.33 10.0 2.58 21.90) = 89.283% kept HA2 GLY 30 - HB3 PRO 31 16.667% * 10.2265% (0.39 1.0 1.92 8.81) = 10.227% kept HA ASN 89 - HB3 PRO 31 16.667% * 0.4158% (0.13 1.0 0.24 0.43) = 0.416% HA HIS+ 7 - HB3 PRO 31 16.667% * 0.0297% (0.11 1.0 0.02 0.02) = 0.030% HA GLN 16 - HB3 PRO 31 16.667% * 0.0238% (0.09 1.0 0.02 0.02) = 0.024% HA THR 61 - HB3 PRO 31 16.667% * 0.0212% (0.08 1.0 0.02 0.02) = 0.021% Peak 3657 (4.47, 2.05, 35.94 ppm): 12 chemical-shift based assignments, quality = 0.314, support = 1.95, residual support = 6.65: HA LYS+ 32 - HB3 PRO 31 8.333% * 87.6418% (0.34 2.21 7.55) = 87.642% kept HA ASN 89 - HB3 PRO 31 8.333% * 6.9169% (0.25 0.24 0.43) = 6.917% kept HA ALA 103 - HB3 PRO 31 8.333% * 0.8212% (0.35 0.02 0.02) = 0.821% HA PRO 86 - HB3 PRO 31 8.333% * 0.7332% (0.31 0.02 0.02) = 0.733% HA ILE 100 - HB3 PRO 31 8.333% * 0.6649% (0.28 0.02 0.02) = 0.665% HA ILE 101 - HB3 PRO 31 8.333% * 0.6290% (0.27 0.02 0.02) = 0.629% HA ASN 76 - HB3 PRO 31 8.333% * 0.5924% (0.25 0.02 0.02) = 0.592% HA VAL 73 - HB3 PRO 31 8.333% * 0.5195% (0.22 0.02 0.67) = 0.520% HA GLU- 50 - HB3 PRO 31 8.333% * 0.4457% (0.19 0.02 0.02) = 0.446% HA CYS 123 - HB3 PRO 31 8.333% * 0.4105% (0.17 0.02 0.02) = 0.411% HA SER 77 - HB3 PRO 31 8.333% * 0.3124% (0.13 0.02 0.02) = 0.312% HA VAL 99 - HB3 PRO 31 8.333% * 0.3124% (0.13 0.02 0.31) = 0.312% Peak 3658 (3.53, 2.05, 35.94 ppm): 2 chemical-shift based assignments, quality = 0.201, support = 0.25, residual support = 0.321: HA ILE 48 - HB3 PRO 31 50.000% * 54.2272% (0.21 0.26 0.23) = 54.227% kept HA ASN 89 - HB3 PRO 31 50.000% * 45.7728% (0.19 0.24 0.43) = 45.773% kept Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 3659 (4.73, 1.96, 35.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3660 (3.49, 1.96, 35.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3661 (1.78, 1.96, 35.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3662 (1.78, 2.04, 35.72 ppm): 14 chemical-shift based assignments, quality = 0.502, support = 4.13, residual support = 21.7: O HG2 PRO 31 - HB3 PRO 31 7.143% * 99.1300% (0.51 10.0 4.17 21.90) = 99.130% kept HB3 ARG+ 53 - HB3 PRO 31 7.143% * 0.1046% (0.53 1.0 0.02 0.02) = 0.105% HB3 GLU- 18 - HB3 PRO 31 7.143% * 0.1046% (0.53 1.0 0.02 0.10) = 0.105% HB3 PRO 116 - HB3 PRO 31 7.143% * 0.1020% (0.52 1.0 0.02 0.02) = 0.102% HB3 LYS+ 63 - HB3 PRO 31 7.143% * 0.0845% (0.43 1.0 0.02 0.02) = 0.084% HB3 HIS+ 7 - HB3 PRO 31 7.143% * 0.0670% (0.34 1.0 0.02 0.02) = 0.067% HB3 LYS+ 113 - HB3 PRO 31 7.143% * 0.0626% (0.32 1.0 0.02 0.02) = 0.063% HB2 LYS+ 117 - HB3 PRO 31 7.143% * 0.0626% (0.32 1.0 0.02 0.02) = 0.063% HB3 LYS+ 108 - HB3 PRO 31 7.143% * 0.0582% (0.30 1.0 0.02 0.02) = 0.058% HB3 LYS+ 117 - HB3 PRO 31 7.143% * 0.0538% (0.27 1.0 0.02 0.02) = 0.054% HB2 ARG+ 84 - HB3 PRO 31 7.143% * 0.0496% (0.25 1.0 0.02 0.02) = 0.050% HB3 LYS+ 44 - HB3 PRO 31 7.143% * 0.0415% (0.21 1.0 0.02 0.13) = 0.041% HB2 HIS+ 7 - HB3 PRO 31 7.143% * 0.0415% (0.21 1.0 0.02 0.02) = 0.041% HB VAL 94 - HB3 PRO 31 7.143% * 0.0377% (0.19 1.0 0.02 0.02) = 0.038% Peak 3663 (1.36, 2.04, 35.72 ppm): 11 chemical-shift based assignments, quality = 0.43, support = 2.08, residual support = 4.47: HG13 ILE 19 - HB3 PRO 31 9.091% * 30.5085% (0.53 2.22 2.27) = 30.509% kept HB3 LYS+ 20 - HB3 PRO 31 9.091% * 24.9597% (0.41 2.37 6.22) = 24.960% kept HG3 LYS+ 20 - HB3 PRO 31 9.091% * 20.9275% (0.41 1.99 6.22) = 20.927% kept HB2 LYS+ 20 - HB3 PRO 31 9.091% * 14.7975% (0.23 2.48 6.22) = 14.798% kept QB ALA 91 - HB3 PRO 31 9.091% * 4.2239% (0.56 0.29 0.02) = 4.224% kept HG3 ARG+ 22 - HB3 PRO 31 9.091% * 3.8755% (0.54 0.28 0.02) = 3.876% kept HG2 LYS+ 78 - HB3 PRO 31 9.091% * 0.1992% (0.39 0.02 0.02) = 0.199% HG LEU 74 - HB3 PRO 31 9.091% * 0.1563% (0.30 0.02 0.02) = 0.156% QG2 THR 39 - HB3 PRO 31 9.091% * 0.1412% (0.27 0.02 0.02) = 0.141% HB2 LEU 17 - HB3 PRO 31 9.091% * 0.1300% (0.25 0.02 0.02) = 0.130% QB ALA 11 - HB3 PRO 31 9.091% * 0.0806% (0.16 0.02 0.02) = 0.081% Peak 3664 (1.36, 1.96, 35.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3665 (0.69, 1.96, 35.72 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3666 (0.70, 2.04, 35.72 ppm): 10 chemical-shift based assignments, quality = 0.439, support = 1.36, residual support = 1.68: QD1 ILE 19 - HB3 PRO 31 10.000% * 48.5367% (0.45 1.94 2.27) = 48.537% kept HG12 ILE 19 - HB3 PRO 31 10.000% * 25.5157% (0.39 1.19 2.27) = 25.516% kept HG LEU 67 - HB3 PRO 31 10.000% * 17.3815% (0.56 0.56 0.02) = 17.382% kept QG2 VAL 94 - HB3 PRO 31 10.000% * 5.7243% (0.41 0.25 0.02) = 5.724% kept HG2 PRO 59 - HB3 PRO 31 10.000% * 0.6119% (0.55 0.02 0.02) = 0.612% HB2 LEU 9 - HB3 PRO 31 10.000% * 0.6119% (0.55 0.02 0.02) = 0.612% QG1 VAL 62 - HB3 PRO 31 10.000% * 0.5980% (0.13 0.09 0.02) = 0.598% QG2 ILE 101 - HB3 PRO 31 10.000% * 0.4771% (0.43 0.02 0.02) = 0.477% QG2 ILE 48 - HB3 PRO 31 10.000% * 0.4038% (0.36 0.02 0.23) = 0.404% QG2 VAL 40 - HB3 PRO 31 10.000% * 0.1390% (0.13 0.02 0.02) = 0.139% 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 = 0.177, support = 3.22, residual support = 50.7: O HA TYR 83 - HB2 TYR 83 20.000% * 93.6827% (0.18 10.0 3.35 54.00) = 93.683% kept HA ASN 89 - HB2 TYR 83 20.000% * 5.7251% (0.16 1.0 1.38 1.51) = 5.725% kept HA LYS+ 20 - HB2 TYR 83 20.000% * 0.2017% (0.39 1.0 0.02 0.02) = 0.202% HA LYS+ 120 - HB2 TYR 83 20.000% * 0.1977% (0.38 1.0 0.02 0.02) = 0.198% HA ASP- 36 - HB2 TYR 83 20.000% * 0.1929% (0.37 1.0 0.02 0.02) = 0.193% Peak 3672 (4.65, 3.35, 39.08 ppm): 5 chemical-shift based assignments, quality = 0.132, support = 3.22, residual support = 50.7: O HA TYR 83 - HB3 TYR 83 20.000% * 93.6610% (0.13 10.0 3.35 54.00) = 93.661% kept HA ASN 89 - HB3 TYR 83 20.000% * 5.7469% (0.12 1.0 1.38 1.51) = 5.747% kept HA LYS+ 20 - HB3 TYR 83 20.000% * 0.2016% (0.29 1.0 0.02 0.02) = 0.202% HA LYS+ 120 - HB3 TYR 83 20.000% * 0.1976% (0.28 1.0 0.02 0.02) = 0.198% HA ASP- 36 - HB3 TYR 83 20.000% * 0.1928% (0.27 1.0 0.02 0.02) = 0.193% Peak 3673 (3.87, 1.74, 38.63 ppm): 11 chemical-shift based assignments, quality = 0.233, support = 5.36, residual support = 98.9: O T HA ILE 48 - HB ILE 48 9.091% * 89.1851% (0.21 10.0 10.00 5.91 110.84) = 89.185% kept HA ASN 89 - HB ILE 48 9.091% * 9.4221% (0.48 1.0 1.00 0.94 0.02) = 9.422% kept HB2 SER 85 - HB ILE 48 9.091% * 0.2198% (0.52 1.0 1.00 0.02 0.02) = 0.220% HA VAL 125 - HB ILE 48 9.091% * 0.1971% (0.47 1.0 1.00 0.02 0.02) = 0.197% HA VAL 87 - HB ILE 48 9.091% * 0.1906% (0.45 1.0 1.00 0.02 0.02) = 0.191% HD2 PRO 116 - HB ILE 48 9.091% * 0.1836% (0.43 1.0 1.00 0.02 0.02) = 0.184% HB3 SER 88 - HB ILE 48 9.091% * 0.1680% (0.40 1.0 1.00 0.02 0.02) = 0.168% HD2 PRO 86 - HB ILE 48 9.091% * 0.1680% (0.40 1.0 1.00 0.02 0.02) = 0.168% HA LYS+ 44 - HB ILE 48 9.091% * 0.1493% (0.35 1.0 1.00 0.02 0.02) = 0.149% HD3 PRO 86 - HB ILE 48 9.091% * 0.0750% (0.18 1.0 1.00 0.02 0.02) = 0.075% HB3 SER 77 - HB ILE 48 9.091% * 0.0415% (0.10 1.0 1.00 0.02 0.02) = 0.041% Peak 3674 (3.43, 1.74, 38.63 ppm): 8 chemical-shift based assignments, quality = 0.196, support = 4.28, residual support = 64.3: O T HA ILE 48 - HB ILE 48 12.500% * 54.8838% (0.09 10.0 10.00 5.91 110.84) = 54.884% kept HA VAL 62 - HB ILE 48 12.500% * 33.2639% (0.36 1.0 1.00 2.91 10.27) = 33.264% kept HA ASN 89 - HB ILE 48 12.500% * 5.6147% (0.19 1.0 1.00 0.94 0.02) = 5.615% kept T HB2 SER 69 - HB ILE 48 12.500% * 3.2573% (0.51 1.0 10.00 0.02 0.91) = 3.257% kept HA VAL 80 - HB ILE 48 12.500% * 2.2853% (0.12 1.0 1.00 0.62 0.02) = 2.285% kept HA THR 39 - HB ILE 48 12.500% * 0.3294% (0.52 1.0 1.00 0.02 0.02) = 0.329% HB THR 79 - HB ILE 48 12.500% * 0.3207% (0.50 1.0 1.00 0.02 0.02) = 0.321% HB3 TRP 51 - HB ILE 48 12.500% * 0.0450% (0.07 1.0 1.00 0.02 1.20) = 0.045% Peak 3675 (0.39, 1.74, 38.76 ppm): 3 chemical-shift based assignments, quality = 0.474, support = 4.95, residual support = 110.8: O T QD1 ILE 48 - HB ILE 48 33.333% * 36.2652% (0.51 10.0 10.00 6.06 110.84) = 36.265% kept O HG12 ILE 48 - HB ILE 48 33.333% * 36.2652% (0.51 10.0 1.00 3.90 110.84) = 36.265% kept O HG13 ILE 48 - HB ILE 48 33.333% * 27.4696% (0.38 10.0 1.00 4.86 110.84) = 27.470% kept Peak 3676 (7.07, 3.35, 39.09 ppm): 3 chemical-shift based assignments, quality = 0.269, support = 3.42, residual support = 53.9: O QD TYR 83 - HB3 TYR 83 33.333% * 99.8922% (0.27 10.0 3.42 54.00) = 99.892% kept HE21 GLN 16 - HB3 TYR 83 33.333% * 0.0823% (0.22 1.0 0.02 0.58) = 0.082% QE PHE 21 - HB3 TYR 83 33.333% * 0.0255% (0.07 1.0 0.02 0.02) = 0.025% Peak 3677 (7.68, 3.35, 39.09 ppm): 1 chemical-shift based assignment, quality = 0.269, support = 3.61, residual support = 54.0: O HN TYR 83 - HB3 TYR 83 100.000% *100.0000% (0.27 10.0 3.61 54.00) = 100.000% kept Peak 3678 (7.68, 2.33, 39.09 ppm): 1 chemical-shift based assignment, quality = 0.304, support = 3.61, residual support = 54.0: O HN TYR 83 - HB2 TYR 83 100.000% *100.0000% (0.30 10.0 3.61 54.00) = 100.000% kept Peak 3679 (6.89, 2.74, 39.91 ppm): 3 chemical-shift based assignments, quality = 0.296, support = 1.96, residual support = 13.2: O HD22 ASN 15 - HB3 ASN 15 33.333% * 98.3043% (0.30 10.0 1.99 13.41) = 98.304% kept QD PHE 21 - HB3 ASN 15 33.333% * 1.5968% (0.33 1.0 0.29 0.57) = 1.597% kept HD21 ASN 119 - HB3 ASN 15 33.333% * 0.0990% (0.30 1.0 0.02 0.02) = 0.099% Peak 3680 (8.97, 2.74, 39.91 ppm): 5 chemical-shift based assignments, quality = 0.269, support = 0.638, residual support = 0.947: HN LEU 17 - HB3 ASN 15 20.000% * 58.3544% (0.33 0.72 1.49) = 58.354% kept HN MET 97 - HB3 ASN 15 20.000% * 20.3932% (0.30 0.29 0.02) = 20.393% kept HN PHE 21 - HB3 ASN 15 20.000% * 12.7049% (0.05 1.00 0.57) = 12.705% kept HN ARG+ 22 - HB3 ASN 15 20.000% * 8.1818% (0.09 0.36 0.02) = 8.182% kept HN THR 96 - HB3 ASN 15 20.000% * 0.3658% (0.08 0.02 0.02) = 0.366% 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 = 0.261, support = 2.99, residual support = 20.6: O HN ASP- 25 - HB2 ASP- 25 33.333% * 86.9517% (0.23 10.0 3.33 23.63) = 86.952% kept HE22 GLN 16 - HB2 ASP- 25 33.333% * 7.2086% (0.51 1.0 0.75 0.26) = 7.209% kept HD21 ASN 57 - HB2 ASP- 25 33.333% * 5.8398% (0.44 1.0 0.69 0.02) = 5.840% kept Peak 3684 (3.11, 2.62, 40.25 ppm): 8 chemical-shift based assignments, quality = 0.113, support = 1.95, residual support = 23.0: O T HB3 ASP- 25 - HB2 ASP- 25 12.500% * 97.4387% (0.11 10.0 10.00 2.00 23.63) = 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 = 0.334, support = 0.02, residual support = 0.14: HE22 GLN 16 - HB3 ASP- 25 33.333% * 49.4814% (0.43 0.02 0.26) = 49.481% kept HD21 ASN 57 - HB3 ASP- 25 33.333% * 31.4458% (0.28 0.02 0.02) = 31.446% kept HN TYR 83 - HB3 ASP- 25 33.333% * 19.0728% (0.17 0.02 0.02) = 19.073% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3688 (8.89, 2.64, 40.90 ppm): 3 chemical-shift based assignments, quality = 0.0715, support = 3.08, residual support = 13.9: O HN ASP- 36 - HB3 ASP- 36 33.333% * 99.8843% (0.07 10.0 3.08 13.88) = 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 = 13.9: O HN ASP- 36 - HB2 ASP- 36 16.667% * 76.5553% (0.36 10.0 3.08 13.88) = 76.555% kept O HN ASP- 36 - HB3 ASP- 36 16.667% * 23.3290% (0.11 10.0 3.08 13.88) = 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 = 0.323, support = 2.67, residual support = 17.4: HN ALA 37 - HB2 ASP- 36 12.500% * 74.8628% (0.39 2.71 17.79) = 74.863% kept HN ALA 37 - HB3 ASP- 36 12.500% * 23.1909% (0.12 2.76 17.79) = 23.191% kept HN VAL 125 - HB2 ASP- 36 12.500% * 0.5754% (0.41 0.02 0.02) = 0.575% HN SER 124 - HB2 ASP- 36 12.500% * 0.5264% (0.38 0.02 0.02) = 0.526% HN ALA 42 - HB2 ASP- 36 12.500% * 0.3900% (0.28 0.02 0.02) = 0.390% HN VAL 125 - HB3 ASP- 36 12.500% * 0.1753% (0.13 0.02 0.02) = 0.175% HN SER 124 - HB3 ASP- 36 12.500% * 0.1604% (0.11 0.02 0.02) = 0.160% HN ALA 42 - HB3 ASP- 36 12.500% * 0.1188% (0.08 0.02 0.02) = 0.119% Peak 3691 (7.75, 2.64, 40.90 ppm): 4 chemical-shift based assignments, quality = 0.0774, support = 2.71, residual support = 17.5: HN ALA 37 - HB3 ASP- 36 25.000% * 98.0775% (0.08 2.76 17.79) = 98.077% kept HN VAL 125 - HB3 ASP- 36 25.000% * 0.7415% (0.08 0.02 0.02) = 0.742% HN SER 124 - HB3 ASP- 36 25.000% * 0.6784% (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): 5 chemical-shift based assignments, quality = 0.601, support = 3.07, residual support = 9.09: HN ARG+ 22 - HB ILE 29 20.000% * 51.2541% (0.67 3.22 3.88) = 51.254% kept HN PHE 21 - HB ILE 29 20.000% * 40.4823% (0.50 3.43 16.57) = 40.482% kept HN LEU 17 - HB ILE 29 20.000% * 7.5835% (0.71 0.45 5.11) = 7.584% kept HN MET 97 - HB ILE 29 20.000% * 0.3940% (0.83 0.02 0.02) = 0.394% HN THR 96 - HB ILE 29 20.000% * 0.2861% (0.61 0.02 0.02) = 0.286% Peak 3695 (7.97, 1.17, 41.87 ppm): 2 chemical-shift based assignments, quality = 0.437, support = 2.73, residual support = 13.1: HN LEU 43 - HB ILE 68 50.000% * 85.5335% (0.44 3.10 15.37) = 85.533% kept HN LYS+ 72 - HB ILE 68 50.000% * 14.4665% (0.41 0.56 0.02) = 14.467% kept Peak 3696 (7.01, 1.17, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.105, support = 1.84, residual support = 2.51: QE PHE 21 - HB ILE 68 100.000% *100.0000% (0.11 1.84 2.51) = 100.000% kept Not enough quality. Peak unassigned. Peak 3697 (6.88, 1.17, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.526, support = 0.689, residual support = 2.31: QD PHE 21 - HB ILE 68 25.000% * 68.9931% (0.64 0.72 2.51) = 68.993% kept HZ PHE 21 - HB ILE 68 25.000% * 22.7420% (0.19 0.81 2.51) = 22.742% kept HD22 ASN 15 - HB ILE 68 25.000% * 6.2431% (0.39 0.11 0.02) = 6.243% kept HD21 ASN 119 - HB ILE 68 25.000% * 2.0217% (0.68 0.02 0.02) = 2.022% kept Peak 3698 (7.97, 2.11, 41.87 ppm): 4 chemical-shift based assignments, quality = 0.409, support = 4.79, residual support = 49.3: O HN LEU 43 - HB3 LEU 43 25.000% * 61.0067% (0.48 10.0 4.75 49.32) = 61.007% kept O HN LEU 43 - HB2 LEU 43 25.000% * 38.8996% (0.30 10.0 4.87 49.32) = 38.900% kept HN LYS+ 72 - HB3 LEU 43 25.000% * 0.0572% (0.45 1.0 0.02 0.02) = 0.057% HN LYS+ 72 - HB2 LEU 43 25.000% * 0.0365% (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 = 1.41, residual support = 3.72: QE PHE 21 - HB3 LEU 43 50.000% * 60.0393% (0.18 1.38 3.72) = 60.039% kept QE PHE 21 - HB2 LEU 43 50.000% * 39.9607% (0.12 1.44 3.72) = 39.961% kept Not enough quality. Peak unassigned. Peak 3700 (6.88, 2.11, 41.87 ppm): 8 chemical-shift based assignments, quality = 0.549, support = 0.76, residual support = 2.61: QD PHE 21 - HB3 LEU 43 12.500% * 35.4280% (0.74 0.87 3.72) = 35.428% kept QD PHE 21 - HB2 LEU 43 12.500% * 21.7879% (0.47 0.84 3.72) = 21.788% kept HD21 ASN 119 - HB2 LEU 43 12.500% * 18.2781% (0.45 0.73 0.28) = 18.278% kept HD21 ASN 119 - HB3 LEU 43 12.500% * 12.9370% (0.71 0.33 0.28) = 12.937% kept HZ PHE 21 - HB3 LEU 43 12.500% * 6.3526% (0.13 0.89 3.72) = 6.353% kept HZ PHE 21 - HB2 LEU 43 12.500% * 4.2426% (0.08 0.93 3.72) = 4.243% kept HD22 ASN 15 - HB3 LEU 43 12.500% * 0.5946% (0.54 0.02 0.02) = 0.595% HD22 ASN 15 - HB2 LEU 43 12.500% * 0.3791% (0.34 0.02 0.02) = 0.379% 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 = 0.104, support = 0.626, residual support = 0.705: HN THR 79 - HB3 ASP- 82 25.000% * 64.3767% (0.11 0.75 1.08) = 64.377% kept HN GLY 30 - HB3 ASP- 82 25.000% * 31.6801% (0.09 0.45 0.02) = 31.680% kept HN GLU- 54 - HB3 ASP- 82 25.000% * 2.2265% (0.14 0.02 0.02) = 2.226% kept HN LYS+ 66 - HB3 ASP- 82 25.000% * 1.7167% (0.11 0.02 0.02) = 1.717% kept Not enough quality. Peak unassigned. Peak 3704 (9.05, 2.17, 41.26 ppm): 4 chemical-shift based assignments, quality = 0.117, support = 0.626, residual support = 0.705: HN THR 79 - HB2 ASP- 82 25.000% * 64.3767% (0.12 0.75 1.08) = 64.377% kept HN GLY 30 - HB2 ASP- 82 25.000% * 31.6801% (0.10 0.45 0.02) = 31.680% kept HN GLU- 54 - HB2 ASP- 82 25.000% * 2.2265% (0.16 0.02 0.02) = 2.226% kept HN LYS+ 66 - HB2 ASP- 82 25.000% * 1.7167% (0.12 0.02 0.02) = 1.717% kept Not enough quality. Peak unassigned. Peak 3705 (8.26, 2.72, 41.54 ppm): 13 chemical-shift based assignments, quality = 0.185, support = 2.11, residual support = 13.9: O HN ASP- 115 - HB3 ASP- 115 7.692% * 98.8723% (0.19 10.0 2.14 14.01) = 98.872% kept HN THR 106 - HB3 ASP- 115 7.692% * 0.6316% (0.18 1.0 0.13 0.02) = 0.632% HN GLN 16 - HB3 ASP- 115 7.692% * 0.0921% (0.17 1.0 0.02 0.02) = 0.092% HN HIS+ 7 - HB3 ASP- 115 7.692% * 0.0833% (0.16 1.0 0.02 0.02) = 0.083% HN GLU- 12 - HB3 ASP- 115 7.692% * 0.0565% (0.11 1.0 0.02 0.02) = 0.056% HN LEU 67 - HB3 ASP- 115 7.692% * 0.0447% (0.08 1.0 0.02 0.02) = 0.045% HN LYS+ 81 - HB3 ASP- 115 7.692% * 0.0447% (0.08 1.0 0.02 0.02) = 0.045% HN ASN 89 - HB3 ASP- 115 7.692% * 0.0447% (0.08 1.0 0.02 0.02) = 0.045% HN MET 118 - HB3 ASP- 115 7.692% * 0.0410% (0.08 1.0 0.02 0.02) = 0.041% HN GLY 58 - HB3 ASP- 115 7.692% * 0.0340% (0.06 1.0 0.02 0.02) = 0.034% HN SER 49 - HB3 ASP- 115 7.692% * 0.0222% (0.04 1.0 0.02 0.02) = 0.022% HN HIS+ 8 - HB3 ASP- 115 7.692% * 0.0175% (0.03 1.0 0.02 0.02) = 0.017% HN ASP- 28 - HB3 ASP- 115 7.692% * 0.0154% (0.03 1.0 0.02 0.02) = 0.015% Peak 3706 (8.26, 2.53, 41.54 ppm): 13 chemical-shift based assignments, quality = 0.204, support = 2.11, residual support = 13.9: O HN ASP- 115 - HB2 ASP- 115 7.692% * 98.8723% (0.21 10.0 2.14 14.01) = 98.872% kept HN THR 106 - HB2 ASP- 115 7.692% * 0.6316% (0.20 1.0 0.13 0.02) = 0.632% HN GLN 16 - HB2 ASP- 115 7.692% * 0.0921% (0.19 1.0 0.02 0.02) = 0.092% HN HIS+ 7 - HB2 ASP- 115 7.692% * 0.0833% (0.17 1.0 0.02 0.02) = 0.083% HN GLU- 12 - HB2 ASP- 115 7.692% * 0.0565% (0.12 1.0 0.02 0.02) = 0.056% HN LEU 67 - HB2 ASP- 115 7.692% * 0.0447% (0.09 1.0 0.02 0.02) = 0.045% HN LYS+ 81 - HB2 ASP- 115 7.692% * 0.0447% (0.09 1.0 0.02 0.02) = 0.045% HN ASN 89 - HB2 ASP- 115 7.692% * 0.0447% (0.09 1.0 0.02 0.02) = 0.045% HN MET 118 - HB2 ASP- 115 7.692% * 0.0410% (0.09 1.0 0.02 0.02) = 0.041% HN GLY 58 - HB2 ASP- 115 7.692% * 0.0340% (0.07 1.0 0.02 0.02) = 0.034% HN SER 49 - HB2 ASP- 115 7.692% * 0.0222% (0.05 1.0 0.02 0.02) = 0.022% HN HIS+ 8 - HB2 ASP- 115 7.692% * 0.0175% (0.04 1.0 0.02 0.02) = 0.017% HN ASP- 28 - HB2 ASP- 115 7.692% * 0.0154% (0.03 1.0 0.02 0.02) = 0.015% Peak 3707 (4.86, 2.53, 41.54 ppm): 4 chemical-shift based assignments, quality = 0.139, support = 0.345, residual support = 0.238: HA THR 95 - HB2 ASP- 115 25.000% * 58.9355% (0.18 0.39 0.35) = 58.936% kept HA ILE 19 - HB2 ASP- 115 25.000% * 25.2809% (0.10 0.30 0.12) = 25.281% kept HA ASN 89 - HB2 ASP- 115 25.000% * 11.1767% (0.04 0.33 0.02) = 11.177% kept HA SER 69 - HB2 ASP- 115 25.000% * 4.6069% (0.06 0.09 0.02) = 4.607% kept Not enough quality. Peak unassigned. Peak 3708 (4.86, 2.72, 41.54 ppm): 4 chemical-shift based assignments, quality = 0.126, support = 0.345, residual support = 0.238: HA THR 95 - HB3 ASP- 115 25.000% * 58.9355% (0.16 0.39 0.35) = 58.936% kept HA ILE 19 - HB3 ASP- 115 25.000% * 25.2809% (0.09 0.30 0.12) = 25.281% kept HA ASN 89 - HB3 ASP- 115 25.000% * 11.1767% (0.04 0.33 0.02) = 11.177% kept HA SER 69 - HB3 ASP- 115 25.000% * 4.6069% (0.05 0.09 0.02) = 4.607% 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 = 0.623, support = 3.41, residual support = 44.7: O QD PHE 34 - HB3 PHE 34 3.333% * 75.3286% (0.58 10.0 3.83 45.31) = 75.329% kept QE PHE 34 - HB3 PHE 34 3.333% * 12.1571% (0.80 1.0 2.34 45.31) = 12.157% kept HZ PHE 34 - HB3 PHE 34 3.333% * 11.1714% (0.80 1.0 2.15 45.31) = 11.171% kept HZ2 TRP 51 - HA1 GLY 58 3.333% * 0.4387% (0.07 1.0 0.99 3.79) = 0.439% HZ PHE 34 - HA1 GLY 58 3.333% * 0.1919% (0.07 1.0 0.43 0.11) = 0.192% QE PHE 34 - HA1 GLY 58 3.333% * 0.1840% (0.07 1.0 0.42 0.11) = 0.184% QD PHE 34 - HA1 GLY 58 3.333% * 0.1394% (0.05 1.0 0.43 0.11) = 0.139% HZ2 TRP 51 - HB3 PHE 34 3.333% * 0.1037% (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 0.02) = 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 0.10) = 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 0.02) = 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 = 0.634, support = 3.99, residual support = 43.7: O HN PHE 34 - HB3 PHE 34 5.000% * 96.5234% (0.64 10.0 4.12 45.31) = 96.523% kept HN SER 69 - HB3 PHE 34 5.000% * 1.8500% (0.52 1.0 0.47 0.02) = 1.850% kept HN THR 95 - HB3 PHE 34 5.000% * 1.1026% (0.67 1.0 0.22 0.02) = 1.103% kept HN THR 95 - HA1 GLY 58 5.000% * 0.3327% (0.06 1.0 0.78 0.02) = 0.333% HN VAL 62 - HB3 PHE 34 5.000% * 0.0731% (0.48 1.0 0.02 0.02) = 0.073% HN THR 95 - HE3 LYS+ 72 5.000% * 0.0145% (0.10 1.0 0.02 0.90) = 0.015% HN PHE 34 - HE3 LYS+ 72 5.000% * 0.0139% (0.09 1.0 0.02 0.02) = 0.014% HN SER 69 - HE3 LYS+ 72 5.000% * 0.0113% (0.07 1.0 0.02 0.87) = 0.011% HN VAL 62 - HE3 LYS+ 72 5.000% * 0.0106% (0.07 1.0 0.02 1.81) = 0.011% HN PHE 34 - HA1 GLY 58 5.000% * 0.0082% (0.05 1.0 0.02 0.11) = 0.008% HN THR 95 - HE3 LYS+ 81 5.000% * 0.0078% (0.05 1.0 0.02 0.02) = 0.008% HN PHE 34 - HE3 LYS+ 81 5.000% * 0.0075% (0.05 1.0 0.02 0.02) = 0.008% 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 0.66) = 0.006% HN SER 69 - HE3 LYS+ 81 5.000% * 0.0061% (0.04 1.0 0.02 0.02) = 0.006% HN THR 95 - HE3 LYS+ 108 5.000% * 0.0057% (0.04 1.0 0.02 0.02) = 0.006% HN VAL 62 - HE3 LYS+ 81 5.000% * 0.0057% (0.04 1.0 0.02 0.33) = 0.006% HN PHE 34 - HE3 LYS+ 108 5.000% * 0.0055% (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 = 0.374, support = 3.74, residual support = 42.1: O HN PHE 34 - HB2 PHE 34 12.500% * 92.8694% (0.36 10.0 4.00 45.31) = 92.869% kept HN THR 95 - HA1 GLY 58 12.500% * 3.0943% (0.31 1.0 0.78 0.02) = 3.094% kept HN THR 95 - HB2 PHE 34 12.500% * 2.0847% (0.74 1.0 0.22 0.02) = 2.085% kept HN SER 69 - HB2 PHE 34 12.500% * 1.7553% (0.69 1.0 0.20 0.02) = 1.755% kept HN SER 69 - HA1 GLY 58 12.500% * 0.0738% (0.29 1.0 0.02 0.02) = 0.074% HN VAL 62 - HB2 PHE 34 12.500% * 0.0589% (0.23 1.0 0.02 0.02) = 0.059% HN PHE 34 - HA1 GLY 58 12.500% * 0.0389% (0.15 1.0 0.02 0.11) = 0.039% HN VAL 62 - HA1 GLY 58 12.500% * 0.0247% (0.10 1.0 0.02 0.66) = 0.025% 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): 14 chemical-shift based assignments, quality = 0.345, support = 1.83, residual support = 2.29: HA PRO 116 - HB2 LEU 23 7.143% * 29.1754% (0.37 2.32 1.64) = 29.175% kept HA ASP- 115 - HB2 LEU 23 7.143% * 24.0779% (0.29 2.46 4.76) = 24.078% kept HA LYS+ 113 - HB2 LEU 23 7.143% * 20.0253% (0.47 1.25 0.68) = 20.025% kept HA ASN 15 - HB2 LEU 23 7.143% * 16.4623% (0.35 1.38 2.43) = 16.462% kept HA ASN 89 - HB2 LEU 23 7.143% * 5.5961% (0.13 1.31 0.27) = 5.596% kept HA ASN 15 - HB ILE 29 7.143% * 3.3022% (0.23 0.43 3.40) = 3.302% kept HA GLU- 107 - HB2 LEU 23 7.143% * 0.6156% (0.23 0.08 0.02) = 0.616% HA LYS+ 113 - HB ILE 29 7.143% * 0.2084% (0.31 0.02 0.02) = 0.208% HA PRO 116 - HB ILE 29 7.143% * 0.1639% (0.24 0.02 0.02) = 0.164% HA ASP- 115 - HB ILE 29 7.143% * 0.1278% (0.19 0.02 0.02) = 0.128% HA GLU- 107 - HB ILE 29 7.143% * 0.1012% (0.15 0.02 0.02) = 0.101% HA ASN 89 - HB ILE 29 7.143% * 0.0555% (0.08 0.02 0.02) = 0.056% HA MET 97 - HB2 LEU 23 7.143% * 0.0534% (0.08 0.02 0.12) = 0.053% HA MET 97 - HB ILE 29 7.143% * 0.0348% (0.05 0.02 0.02) = 0.035% Peak 3717 (2.72, 1.93, 41.57 ppm): 12 chemical-shift based assignments, quality = 0.352, support = 1.59, residual support = 4.97: HA1 GLY 58 - HB2 LEU 23 8.333% * 29.9321% (0.50 1.40 2.08) = 29.932% kept HB3 ASP- 115 - HB2 LEU 23 8.333% * 29.4785% (0.35 1.95 4.76) = 29.479% kept HA1 GLY 58 - HB ILE 29 8.333% * 17.8201% (0.32 1.28 2.32) = 17.820% kept HB3 PHE 21 - HB ILE 29 8.333% * 15.2847% (0.16 2.19 16.57) = 15.285% kept HE3 LYS+ 20 - HB ILE 29 8.333% * 2.9910% (0.09 0.75 0.02) = 2.991% kept HB3 HIS+ 6 - HB2 LEU 23 8.333% * 2.9377% (0.50 0.14 0.02) = 2.938% kept HE3 LYS+ 20 - HB2 LEU 23 8.333% * 0.5110% (0.14 0.08 0.17) = 0.511% HB3 HIS+ 6 - HB ILE 29 8.333% * 0.2808% (0.33 0.02 0.02) = 0.281% HE3 LYS+ 120 - HB2 LEU 23 8.333% * 0.2139% (0.25 0.02 0.02) = 0.214% HB3 PHE 21 - HB2 LEU 23 8.333% * 0.2139% (0.25 0.02 0.02) = 0.214% HB3 ASP- 115 - HB ILE 29 8.333% * 0.1968% (0.23 0.02 0.02) = 0.197% HE3 LYS+ 120 - HB ILE 29 8.333% * 0.1394% (0.16 0.02 0.02) = 0.139% 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 = 0.412, support = 3.22, residual support = 27.3: O T QD2 LEU 23 - HB2 LEU 23 50.000% * 60.4116% (0.47 10.0 10.00 4.11 39.67) = 60.412% kept T QD2 LEU 23 - HB ILE 29 50.000% * 39.5884% (0.33 1.0 10.00 1.85 8.51) = 39.588% kept Peak 3720 (0.61, 1.93, 41.56 ppm): 2 chemical-shift based assignments, quality = 0.205, support = 2.56, residual support = 26.8: O T QD1 LEU 23 - HB2 LEU 23 50.000% * 58.5854% (0.23 10.0 10.00 2.92 39.67) = 58.585% kept T QD1 LEU 23 - HB ILE 29 50.000% * 41.4146% (0.16 1.0 10.00 2.06 8.51) = 41.415% 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): 5 chemical-shift based assignments, quality = 0.0825, support = 0.287, residual support = 0.136: HA ASN 89 - HB3 ASP- 82 20.000% * 60.7079% (0.06 0.43 0.21) = 60.708% kept HA LEU 9 - HB3 ASP- 82 20.000% * 27.6096% (0.12 0.09 0.02) = 27.610% kept HA ASP- 25 - HB3 ASP- 82 20.000% * 5.7318% (0.12 0.02 0.02) = 5.732% kept HA LYS+ 72 - HB3 ASP- 82 20.000% * 3.5467% (0.08 0.02 0.02) = 3.547% kept HA HIS+ 6 - HB3 ASP- 82 20.000% * 2.4040% (0.05 0.02 0.02) = 2.404% kept Not enough quality. Peak unassigned. Peak 3723 (-0.07, 2.10, 41.75 ppm): 4 chemical-shift based assignments, quality = 0.214, support = 3.26, residual support = 39.7: O T QD1 LEU 43 - HB3 LEU 43 25.000% * 43.9482% (0.13 10.0 10.00 3.36 49.32) = 43.948% kept O T QD1 LEU 43 - HB2 LEU 43 25.000% * 34.2269% (0.10 10.0 10.00 4.44 49.32) = 34.227% kept QD1 LEU 74 - HB3 LEU 43 25.000% * 13.9356% (0.61 1.0 1.00 1.33 5.32) = 13.936% kept QD1 LEU 74 - HB2 LEU 43 25.000% * 7.8893% (0.48 1.0 1.00 0.96 5.32) = 7.889% 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): 12 chemical-shift based assignments, quality = 0.642, support = 3.18, residual support = 46.5: O HA LEU 43 - HB3 LEU 43 8.333% * 52.9549% (0.73 10.0 2.72 49.32) = 52.955% kept O HA LEU 43 - HB2 LEU 43 8.333% * 41.2413% (0.56 10.0 4.09 49.32) = 41.241% kept HA ASN 89 - HB3 LEU 43 8.333% * 1.7676% (0.74 1.0 0.65 0.21) = 1.768% kept HA ASN 89 - HB2 LEU 43 8.333% * 1.6574% (0.58 1.0 0.78 0.21) = 1.657% kept HA LYS+ 44 - HB3 LEU 43 8.333% * 1.2496% (0.18 1.0 1.95 4.65) = 1.250% kept HA ILE 48 - HB2 LEU 43 8.333% * 0.5302% (0.67 1.0 0.22 0.02) = 0.530% HA ILE 48 - HB3 LEU 43 8.333% * 0.3739% (0.86 1.0 0.12 0.02) = 0.374% HD3 PRO 104 - HB3 LEU 43 8.333% * 0.0679% (0.93 1.0 0.02 0.02) = 0.068% HB3 SER 27 - HB3 LEU 43 8.333% * 0.0530% (0.73 1.0 0.02 0.02) = 0.053% HD3 PRO 104 - HB2 LEU 43 8.333% * 0.0529% (0.72 1.0 0.02 0.02) = 0.053% HB3 SER 27 - HB2 LEU 43 8.333% * 0.0412% (0.56 1.0 0.02 0.02) = 0.041% HA LYS+ 44 - HB2 LEU 43 8.333% * 0.0100% (0.14 1.0 0.02 4.65) = 0.010% Peak 3726 (3.48, 2.10, 41.75 ppm): 14 chemical-shift based assignments, quality = 0.606, support = 0.916, residual support = 0.468: HD3 PRO 31 - HB3 LEU 43 7.143% * 28.0236% (0.82 1.43 0.73) = 28.024% kept HD3 PRO 31 - HB2 LEU 43 7.143% * 14.9246% (0.64 0.98 0.73) = 14.925% kept HA1 GLY 71 - HB2 LEU 43 7.143% * 14.1654% (0.62 0.96 0.49) = 14.165% kept HA1 GLY 71 - HB3 LEU 43 7.143% * 10.5358% (0.79 0.56 0.49) = 10.536% kept HA1 GLY 30 - HB2 LEU 43 7.143% * 6.4249% (0.39 0.69 0.02) = 6.425% kept HA ASN 89 - HB3 LEU 43 7.143% * 6.1520% (0.40 0.65 0.21) = 6.152% kept HA ASN 89 - HB2 LEU 43 7.143% * 5.7686% (0.31 0.78 0.21) = 5.769% kept HA1 GLY 30 - HB3 LEU 43 7.143% * 2.8317% (0.50 0.24 0.02) = 2.832% kept HA VAL 80 - HB3 LEU 43 7.143% * 2.6878% (0.36 0.32 0.02) = 2.688% kept HB3 SER 69 - HB3 LEU 43 7.143% * 2.3362% (0.24 0.41 0.10) = 2.336% kept HB3 SER 69 - HB2 LEU 43 7.143% * 2.1114% (0.18 0.48 0.10) = 2.111% kept HA VAL 80 - HB2 LEU 43 7.143% * 2.0932% (0.28 0.32 0.02) = 2.093% kept HA ILE 48 - HB2 LEU 43 7.143% * 1.1406% (0.22 0.22 0.02) = 1.141% kept HA ILE 48 - HB3 LEU 43 7.143% * 0.8043% (0.28 0.12 0.02) = 0.804% Peak 3727 (3.49, 1.16, 41.79 ppm): 6 chemical-shift based assignments, quality = 0.213, support = 1.23, residual support = 2.94: HB3 SER 69 - HB ILE 68 16.667% * 37.4808% (0.23 1.36 4.08) = 37.481% kept HA ASN 89 - HB ILE 68 16.667% * 28.9662% (0.14 1.76 4.23) = 28.966% kept HA1 GLY 30 - HB ILE 68 16.667% * 25.6930% (0.31 0.70 0.72) = 25.693% kept HA1 GLY 71 - HB ILE 68 16.667% * 4.9917% (0.11 0.39 0.02) = 4.992% kept HA ILE 48 - HB ILE 68 16.667% * 2.5840% (0.11 0.20 0.02) = 2.584% kept HD3 PRO 31 - HB ILE 68 16.667% * 0.2842% (0.12 0.02 4.45) = 0.284% 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): 10 chemical-shift based assignments, quality = 0.331, support = 1.22, residual support = 4.46: HA ASN 89 - HD3 ARG+ 84 10.000% * 79.2222% (0.33 1.50 5.46) = 79.222% kept HA ILE 48 - HD3 ARG+ 84 10.000% * 13.9317% (0.44 0.20 0.31) = 13.932% kept HD2 PRO 52 - HD2 ARG+ 53 10.000% * 2.1516% (0.06 0.24 4.50) = 2.152% kept HB2 HIS+ 4 - HD3 ARG+ 84 10.000% * 1.1452% (0.36 0.02 0.02) = 1.145% kept HA ILE 48 - HD2 ARG+ 53 10.000% * 1.0175% (0.32 0.02 0.02) = 1.018% kept HB2 HIS+ 4 - HD2 ARG+ 53 10.000% * 0.8296% (0.26 0.02 0.26) = 0.830% HA ASN 89 - HD2 ARG+ 53 10.000% * 0.7659% (0.24 0.02 0.02) = 0.766% HA LEU 43 - HD3 ARG+ 84 10.000% * 0.3977% (0.12 0.02 0.02) = 0.398% HA LEU 43 - HD2 ARG+ 53 10.000% * 0.2881% (0.09 0.02 0.02) = 0.288% HD2 PRO 52 - HD3 ARG+ 84 10.000% * 0.2505% (0.08 0.02 0.02) = 0.250% 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): 12 chemical-shift based assignments, quality = 0.137, support = 0.765, residual support = 1.06: HB2 HIS+ 8 - HB3 ASP- 82 8.333% * 28.8901% (0.07 1.45 2.65) = 28.890% kept HG LEU 23 - HB3 ASP- 82 8.333% * 27.2117% (0.25 0.35 0.63) = 27.212% kept HG3 ARG+ 84 - HB3 ASP- 82 8.333% * 20.1062% (0.07 1.01 0.48) = 20.106% kept HB3 ARG+ 22 - HB3 ASP- 82 8.333% * 13.9230% (0.14 0.33 0.17) = 13.923% kept HB3 MET 97 - HB3 ASP- 82 8.333% * 3.1709% (0.12 0.09 0.02) = 3.171% kept HB ILE 100 - HB3 ASP- 82 8.333% * 1.4799% (0.24 0.02 0.02) = 1.480% kept HG12 ILE 101 - HB3 ASP- 82 8.333% * 1.4799% (0.24 0.02 0.02) = 1.480% kept HB2 LEU 67 - HB3 ASP- 82 8.333% * 1.4799% (0.24 0.02 0.02) = 1.480% kept HG3 LYS+ 78 - HB3 ASP- 82 8.333% * 1.0371% (0.17 0.02 0.02) = 1.037% kept HG2 LYS+ 110 - HB3 ASP- 82 8.333% * 0.4948% (0.08 0.02 0.02) = 0.495% HG3 LYS+ 110 - HB3 ASP- 82 8.333% * 0.4457% (0.07 0.02 0.02) = 0.446% HB3 LEU 17 - HB3 ASP- 82 8.333% * 0.2808% (0.05 0.02 0.02) = 0.281% Not enough quality. Peak unassigned. Peak 3736 (1.64, 2.17, 41.26 ppm): 10 chemical-shift based assignments, quality = 0.214, support = 1.05, residual support = 0.908: HG LEU 23 - HB2 ASP- 82 10.000% * 33.2163% (0.24 1.29 0.63) = 33.216% kept HB2 HIS+ 8 - HB2 ASP- 82 10.000% * 21.1486% (0.17 1.13 2.65) = 21.149% kept HG3 ARG+ 84 - HB2 ASP- 82 10.000% * 20.8229% (0.17 1.12 0.48) = 20.823% kept HB3 ARG+ 22 - HB2 ASP- 82 10.000% * 20.6896% (0.27 0.70 0.17) = 20.690% kept HB3 MET 97 - HB2 ASP- 82 10.000% * 2.3934% (0.25 0.09 0.02) = 2.393% kept HB ILE 100 - HB2 ASP- 82 10.000% * 0.4592% (0.21 0.02 0.02) = 0.459% HB2 LEU 67 - HB2 ASP- 82 10.000% * 0.4592% (0.21 0.02 0.02) = 0.459% HG12 ILE 101 - HB2 ASP- 82 10.000% * 0.4592% (0.21 0.02 0.02) = 0.459% HG3 LYS+ 78 - HB2 ASP- 82 10.000% * 0.2421% (0.11 0.02 0.02) = 0.242% HB3 MET 126 - HB2 ASP- 82 10.000% * 0.1095% (0.05 0.02 0.02) = 0.110% 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 = 1.84, residual support = 4.76: T QD2 LEU 23 - HB3 ASP- 115 100.000% *100.0000% (0.42 10.00 1.84 4.76) = 100.000% kept Peak 3739 (0.28, 1.93, 41.87 ppm): 1 chemical-shift based assignment, quality = 0.827, support = 4.11, residual support = 39.7: O T QD2 LEU 23 - HB2 LEU 23 100.000% *100.0000% (0.83 10.0 10.00 4.11 39.67) = 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): 7 chemical-shift based assignments, quality = 0.568, support = 0.738, residual support = 0.471: HB3 GLU- 50 - HB2 LEU 23 14.286% * 47.7893% (0.55 1.18 0.84) = 47.789% kept HB VAL 94 - HB2 LEU 23 14.286% * 16.4841% (0.70 0.32 0.02) = 16.484% kept HB2 HIS+ 7 - HB2 LEU 23 14.286% * 15.1355% (0.68 0.30 0.02) = 15.135% kept HB2 ARG+ 84 - HB2 LEU 23 14.286% * 12.1653% (0.61 0.27 0.51) = 12.165% kept HB ILE 48 - HB2 LEU 23 14.286% * 7.8679% (0.19 0.56 0.02) = 7.868% kept HB3 GLU- 18 - HB2 LEU 23 14.286% * 0.2789% (0.19 0.02 0.02) = 0.279% HB3 ARG+ 53 - HB2 LEU 23 14.286% * 0.2789% (0.19 0.02 0.02) = 0.279% 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): 8 chemical-shift based assignments, quality = 0.344, support = 2.9, residual support = 32.8: O HN ASP- 28 - HB2 ASP- 28 12.500% * 98.5735% (0.35 10.0 2.95 33.29) = 98.574% kept HN VAL 99 - HB2 ASP- 28 12.500% * 0.9480% (0.31 1.0 0.22 0.30) = 0.948% HN ALA 91 - HB2 ASP- 28 12.500% * 0.1357% (0.48 1.0 0.02 0.02) = 0.136% HN LEU 9 - HB2 ASP- 28 12.500% * 0.1310% (0.46 1.0 0.02 0.02) = 0.131% HN HIS+ 8 - HB2 ASP- 28 12.500% * 0.0932% (0.33 1.0 0.02 0.02) = 0.093% HN ASN 89 - HB2 ASP- 28 12.500% * 0.0463% (0.16 1.0 0.02 1.11) = 0.046% HN ASN 76 - HB2 ASP- 28 12.500% * 0.0419% (0.15 1.0 0.02 0.02) = 0.042% HN GLY 114 - HB2 ASP- 28 12.500% * 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 = 0.421, support = 4.09, residual support = 22.3: HN ILE 29 - HB2 ASP- 28 50.000% * 95.0324% (0.43 4.28 23.50) = 95.032% kept HN LEU 23 - HB2 ASP- 28 50.000% * 4.9676% (0.23 0.41 0.02) = 4.968% kept Peak 3749 (9.31, 2.39, 45.43 ppm): 2 chemical-shift based assignments, quality = 0.42, support = 5.02, residual support = 22.2: HN ILE 29 - HB3 ASP- 28 50.000% * 94.5877% (0.43 5.28 23.50) = 94.588% kept HN LEU 23 - HB3 ASP- 28 50.000% * 5.4123% (0.23 0.56 0.02) = 5.412% kept Peak 3750 (8.51, 1.35, 45.37 ppm): 3 chemical-shift based assignments, quality = 0.375, support = 2.46, residual support = 6.7: HN HIS+ 4 - HB2 LEU 17 33.333% * 58.7800% (0.57 1.07 1.52) = 58.780% kept HN GLU- 18 - HB2 LEU 17 33.333% * 40.8904% (0.10 4.47 14.21) = 40.890% kept HN GLU- 10 - HB2 LEU 17 33.333% * 0.3297% (0.17 0.02 0.02) = 0.330% 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 = 2.35, residual support = 12.9: O HN ALA 93 - HA1 GLY 92 33.333% * 99.4325% (0.13 10.0 2.36 12.94) = 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 = 2.35, residual support = 12.9: O HN ALA 93 - HA2 GLY 92 33.333% * 99.4325% (0.15 10.0 2.36 12.94) = 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): 7 chemical-shift based assignments, quality = 0.457, support = 2.5, residual support = 8.53: O HN GLY 92 - HA2 GLY 92 14.286% * 99.5976% (0.46 10.0 2.51 8.56) = 99.598% kept HN LYS+ 113 - HA2 GLY 92 14.286% * 0.1138% (0.52 1.0 0.02 0.02) = 0.114% HN GLU- 107 - HA2 GLY 92 14.286% * 0.1138% (0.52 1.0 0.02 0.02) = 0.114% HN LEU 74 - HA2 GLY 92 14.286% * 0.0834% (0.38 1.0 0.02 0.02) = 0.083% HN GLU- 18 - HA2 GLY 92 14.286% * 0.0472% (0.22 1.0 0.02 0.02) = 0.047% HN GLU- 10 - HA2 GLY 92 14.286% * 0.0286% (0.13 1.0 0.02 0.02) = 0.029% HN ARG+ 53 - HA2 GLY 92 14.286% * 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 = 0.318, support = 3.16, residual support = 12.0: O HN LYS+ 72 - HA1 GLY 71 50.000% * 92.7754% (0.32 10.0 3.27 12.94) = 92.775% kept HN LEU 43 - HA1 GLY 71 50.000% * 7.2246% (0.30 1.0 1.66 0.49) = 7.225% 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): 12 chemical-shift based assignments, quality = 0.192, support = 3.07, residual support = 25.1: O HN LEU 67 - HB3 LEU 67 8.333% * 89.1000% (0.19 10.0 3.29 28.16) = 89.100% kept HN SER 49 - HB3 LEU 67 8.333% * 5.1621% (0.10 1.0 2.19 0.02) = 5.162% kept HN THR 106 - HB3 LEU 67 8.333% * 4.8550% (0.36 1.0 0.58 0.13) = 4.855% kept HN ASP- 115 - HB3 LEU 67 8.333% * 0.1694% (0.36 1.0 0.02 0.02) = 0.169% HN GLN 16 - HB3 LEU 67 8.333% * 0.1469% (0.31 1.0 0.02 0.02) = 0.147% HN HIS+ 7 - HB3 LEU 67 8.333% * 0.1294% (0.28 1.0 0.02 0.02) = 0.129% HN GLU- 12 - HB3 LEU 67 8.333% * 0.1096% (0.23 1.0 0.02 0.02) = 0.110% HN LYS+ 81 - HB3 LEU 67 8.333% * 0.0891% (0.19 1.0 0.02 0.02) = 0.089% HN MET 118 - HB3 LEU 67 8.333% * 0.0824% (0.18 1.0 0.02 0.02) = 0.082% HN GLY 58 - HB3 LEU 67 8.333% * 0.0696% (0.15 1.0 0.02 0.02) = 0.070% HN ASN 89 - HB3 LEU 67 8.333% * 0.0636% (0.14 1.0 0.02 1.34) = 0.064% HN HIS+ 8 - HB3 LEU 67 8.333% * 0.0229% (0.05 1.0 0.02 0.02) = 0.023% 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): 3 chemical-shift based assignments, quality = 0.247, support = 2.81, residual support = 9.56: HA ASN 89 - HD2 PRO 104 33.333% * 45.1365% (0.20 3.97 16.65) = 45.137% kept HA ILE 48 - HD2 PRO 104 33.333% * 35.2495% (0.29 2.17 4.53) = 35.250% kept HD2 PRO 112 - HD2 PRO 104 33.333% * 19.6140% (0.27 1.30 2.27) = 19.614% 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): 5 chemical-shift based assignments, quality = 0.146, support = 1.62, residual support = 3.67: HA1 GLY 58 - HD2 PRO 104 20.000% * 91.1791% (0.15 1.76 4.03) = 91.179% kept HG2 GLU- 56 - HD2 PRO 104 20.000% * 6.5398% (0.08 0.23 0.02) = 6.540% kept HB VAL 80 - HD2 PRO 104 20.000% * 1.4068% (0.20 0.02 0.02) = 1.407% kept HG3 GLU- 10 - HD2 PRO 104 20.000% * 0.5164% (0.08 0.02 0.02) = 0.516% HB2 PRO 86 - HD2 PRO 104 20.000% * 0.3579% (0.05 0.02 0.02) = 0.358% Not enough quality. Peak unassigned. Peak 3768 (1.36, 3.46, 50.99 ppm): 11 chemical-shift based assignments, quality = 0.379, support = 2.41, residual support = 4.85: HB3 LYS+ 20 - HD3 PRO 31 9.091% * 44.8712% (0.40 3.66 6.22) = 44.871% kept HG13 ILE 19 - HD3 PRO 31 9.091% * 20.3759% (0.45 1.48 2.27) = 20.376% kept HB2 LYS+ 20 - HD3 PRO 31 9.091% * 16.2578% (0.24 2.18 6.22) = 16.258% kept HG3 LYS+ 20 - HD3 PRO 31 9.091% * 9.3723% (0.32 0.95 6.22) = 9.372% kept QB ALA 91 - HD3 PRO 31 9.091% * 4.4574% (0.50 0.29 0.02) = 4.457% kept HG3 ARG+ 22 - HD3 PRO 31 9.091% * 3.9120% (0.46 0.28 0.02) = 3.912% kept HG2 LYS+ 78 - HD3 PRO 31 9.091% * 0.2339% (0.38 0.02 0.02) = 0.234% QG2 THR 39 - HD3 PRO 31 9.091% * 0.1733% (0.28 0.02 0.02) = 0.173% HG LEU 74 - HD3 PRO 31 9.091% * 0.1632% (0.27 0.02 0.02) = 0.163% HB2 LEU 17 - HD3 PRO 31 9.091% * 0.1149% (0.19 0.02 0.02) = 0.115% QB ALA 11 - HD3 PRO 31 9.091% * 0.0681% (0.11 0.02 0.02) = 0.068% Peak 3769 (1.36, 3.58, 50.95 ppm): 22 chemical-shift based assignments, quality = 0.266, support = 1.47, residual support = 4.7: HB3 LYS+ 20 - HD2 PRO 31 4.545% * 30.5273% (0.31 1.85 6.22) = 30.527% kept HB2 LYS+ 20 - HD2 PRO 31 4.545% * 22.9282% (0.19 2.29 6.22) = 22.928% kept HG13 ILE 19 - HD2 PRO 31 4.545% * 18.4601% (0.35 1.00 2.27) = 18.460% kept HG3 LYS+ 20 - HD2 PRO 31 4.545% * 14.7678% (0.25 1.11 6.22) = 14.768% kept HG LEU 74 - HD2 PRO 104 4.545% * 6.1525% (0.25 0.48 0.59) = 6.153% kept HB3 LYS+ 20 - HD2 PRO 104 4.545% * 1.7461% (0.37 0.09 0.02) = 1.746% kept HB2 LYS+ 20 - HD2 PRO 104 4.545% * 1.0068% (0.22 0.09 0.02) = 1.007% kept QB ALA 91 - HD2 PRO 104 4.545% * 0.4827% (0.46 0.02 0.02) = 0.483% HG3 ARG+ 22 - HD2 PRO 104 4.545% * 0.4465% (0.43 0.02 0.02) = 0.447% HG13 ILE 19 - HD2 PRO 104 4.545% * 0.4338% (0.41 0.02 0.02) = 0.434% QB ALA 91 - HD2 PRO 31 4.545% * 0.4104% (0.39 0.02 0.02) = 0.410% HG3 ARG+ 22 - HD2 PRO 31 4.545% * 0.3797% (0.36 0.02 0.02) = 0.380% HG2 LYS+ 78 - HD2 PRO 104 4.545% * 0.3697% (0.35 0.02 0.02) = 0.370% HG2 LYS+ 78 - HD2 PRO 31 4.545% * 0.3143% (0.30 0.02 0.02) = 0.314% HG3 LYS+ 20 - HD2 PRO 104 4.545% * 0.3129% (0.30 0.02 0.02) = 0.313% QG2 THR 39 - HD2 PRO 104 4.545% * 0.2739% (0.26 0.02 0.02) = 0.274% QG2 THR 39 - HD2 PRO 31 4.545% * 0.2328% (0.22 0.02 0.02) = 0.233% HG LEU 74 - HD2 PRO 31 4.545% * 0.2194% (0.21 0.02 0.02) = 0.219% HB2 LEU 17 - HD2 PRO 104 4.545% * 0.1815% (0.17 0.02 0.02) = 0.182% HB2 LEU 17 - HD2 PRO 31 4.545% * 0.1544% (0.15 0.02 0.02) = 0.154% QB ALA 11 - HD2 PRO 104 4.545% * 0.1077% (0.10 0.02 0.02) = 0.108% QB ALA 11 - HD2 PRO 31 4.545% * 0.0916% (0.09 0.02 0.02) = 0.092% 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): 6 chemical-shift based assignments, quality = 0.128, support = 0.774, residual support = 0.404: HA ASN 89 - HD3 PRO 31 16.667% * 39.5390% (0.17 0.66 0.43) = 39.539% kept HA ILE 48 - HD3 PRO 31 16.667% * 24.1005% (0.18 0.38 0.23) = 24.100% kept HA LEU 43 - HD3 PRO 31 16.667% * 22.3190% (0.04 1.51 0.73) = 22.319% kept HA LYS+ 44 - HD3 PRO 31 16.667% * 11.9654% (0.05 0.70 0.13) = 11.965% kept HB3 SER 27 - HD3 PRO 31 16.667% * 1.4085% (0.20 0.02 0.02) = 1.408% kept HD3 PRO 104 - HD3 PRO 31 16.667% * 0.6675% (0.09 0.02 0.02) = 0.668% 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 = 0.628, residual support = 0.905: HH2 TRP 51 - QD1 ILE 101 50.000% * 86.4599% (0.13 0.71 0.90) = 86.460% kept HN TRP 51 - QD1 ILE 101 50.000% * 13.5401% (0.18 0.08 0.90) = 13.540% kept Not enough quality. Peak unassigned. Peak 3776 (7.55, 0.55, 10.88 ppm): 3 chemical-shift based assignments, quality = 0.095, support = 0.274, residual support = 0.234: HN VAL 65 - QD1 ILE 101 33.333% * 76.8588% (0.10 0.33 0.30) = 76.859% kept HD22 ASN 119 - QD1 ILE 101 33.333% * 20.1454% (0.10 0.09 0.02) = 20.145% kept HN ASP- 82 - QD1 ILE 101 33.333% * 2.9958% (0.06 0.02 0.02) = 2.996% kept Not enough quality. Peak unassigned. Peak 3777 (8.74, 0.55, 10.88 ppm): 5 chemical-shift based assignments, quality = 0.18, support = 3.98, residual support = 24.9: HN ILE 101 - QD1 ILE 101 20.000% * 98.1466% (0.18 4.05 25.40) = 98.147% kept HN VAL 62 - QD1 ILE 101 20.000% * 1.1714% (0.08 0.11 0.02) = 1.171% kept HN GLU- 56 - QD1 ILE 101 20.000% * 0.4813% (0.18 0.02 0.02) = 0.481% HN PHE 34 - QD1 ILE 101 20.000% * 0.1350% (0.05 0.02 0.02) = 0.135% HN VAL 40 - QD1 ILE 101 20.000% * 0.0657% (0.02 0.02 0.02) = 0.066% Peak 3778 (8.91, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.181, support = 3.02, residual support = 16.7: HN GLN 102 - QD1 ILE 101 50.000% * 99.3635% (0.18 3.04 16.82) = 99.363% kept HN ASP- 36 - QD1 ILE 101 50.000% * 0.6365% (0.05 0.08 0.02) = 0.637% Peak 3779 (9.10, 0.55, 10.88 ppm): 2 chemical-shift based assignments, quality = 0.0666, support = 1.44, residual support = 3.49: HN LYS+ 66 - QD1 ILE 101 50.000% * 89.4955% (0.07 1.58 3.89) = 89.495% kept HN GLU- 54 - QD1 ILE 101 50.000% * 10.5045% (0.05 0.25 0.02) = 10.505% kept Not enough quality. Peak unassigned. Peak 3780 (8.82, 4.39, 54.16 ppm): 6 chemical-shift based assignments, quality = 0.639, support = 1.89, residual support = 5.39: O HN ASN 57 - HA ASN 57 16.667% * 96.3838% (0.65 10.0 1.95 5.59) = 96.384% kept HN LYS+ 60 - HA ASN 57 16.667% * 2.3699% (0.74 1.0 0.42 0.02) = 2.370% kept HN LYS+ 32 - HA ASN 89 16.667% * 0.7078% (0.14 1.0 0.65 0.95) = 0.708% HN LYS+ 60 - HA ASN 89 16.667% * 0.4109% (0.15 1.0 0.36 0.18) = 0.411% HN LYS+ 32 - HA ASN 57 16.667% * 0.1078% (0.70 1.0 0.02 0.02) = 0.108% HN ASN 57 - HA ASN 89 16.667% * 0.0199% (0.13 1.0 0.02 0.02) = 0.020% Peak 3781 (8.23, 4.39, 54.16 ppm): 26 chemical-shift based assignments, quality = 0.598, support = 1.86, residual support = 12.5: O HN GLY 58 - HA ASN 57 3.846% * 90.7664% (0.65 10.0 1.90 13.52) = 90.766% kept HN VAL 105 - HA ASN 89 3.846% * 1.8419% (0.11 1.0 2.18 2.35) = 1.842% kept HN VAL 94 - HA ASN 89 3.846% * 1.6649% (0.12 1.0 1.88 6.57) = 1.665% kept HN GLU- 45 - HA ASN 57 3.846% * 1.4824% (0.39 1.0 0.51 0.02) = 1.482% kept HN SER 49 - HA ASN 89 3.846% * 1.4044% (0.14 1.0 1.32 1.39) = 1.404% kept HN GLU- 45 - HA ASN 89 3.846% * 1.3150% (0.08 1.0 2.26 3.00) = 1.315% kept HN VAL 105 - HA ASN 57 3.846% * 0.6718% (0.57 1.0 0.16 0.02) = 0.672% HN SER 49 - HA ASN 57 3.846% * 0.1061% (0.72 1.0 0.02 0.02) = 0.106% HN THR 106 - HA ASN 89 3.846% * 0.0964% (0.03 1.0 0.39 0.10) = 0.096% HN VAL 94 - HA ASN 57 3.846% * 0.0880% (0.60 1.0 0.02 0.02) = 0.088% HN MET 118 - HA ASN 57 3.846% * 0.0880% (0.60 1.0 0.02 0.02) = 0.088% HN LYS+ 81 - HA ASN 57 3.846% * 0.0840% (0.57 1.0 0.02 0.02) = 0.084% HN LEU 67 - HA ASN 57 3.846% * 0.0840% (0.57 1.0 0.02 0.02) = 0.084% HN GLU- 12 - HA ASN 57 3.846% * 0.0711% (0.48 1.0 0.02 0.02) = 0.071% HN ALA 11 - HA ASN 57 3.846% * 0.0667% (0.45 1.0 0.02 0.02) = 0.067% HN THR 106 - HA ASN 57 3.846% * 0.0245% (0.17 1.0 0.02 0.02) = 0.024% HN ASP- 115 - HA ASN 57 3.846% * 0.0192% (0.13 1.0 0.02 0.02) = 0.019% HN LYS+ 117 - HA ASN 57 3.846% * 0.0192% (0.13 1.0 0.02 0.02) = 0.019% HN GLY 58 - HA ASN 89 3.846% * 0.0192% (0.13 1.0 0.02 0.02) = 0.019% HN MET 118 - HA ASN 89 3.846% * 0.0177% (0.12 1.0 0.02 0.02) = 0.018% HN LEU 67 - HA ASN 89 3.846% * 0.0169% (0.11 1.0 0.02 1.34) = 0.017% HN LYS+ 81 - HA ASN 89 3.846% * 0.0169% (0.11 1.0 0.02 0.02) = 0.017% HN GLU- 12 - HA ASN 89 3.846% * 0.0143% (0.10 1.0 0.02 0.02) = 0.014% HN ALA 11 - HA ASN 89 3.846% * 0.0134% (0.09 1.0 0.02 0.22) = 0.013% HN ASP- 115 - HA ASN 89 3.846% * 0.0039% (0.03 1.0 0.02 0.02) = 0.004% HN LYS+ 117 - HA ASN 89 3.846% * 0.0039% (0.03 1.0 0.02 0.02) = 0.004% Peak 3782 (4.39, 4.39, 54.16 ppm): 2 diagonal assignments: HA ASN 57 - HA ASN 57 (0.48) kept HA ASN 89 - HA ASN 89 (0.11) kept Peak 3783 (4.13, 0.80, 12.73 ppm): 9 chemical-shift based assignments, quality = 0.666, support = 0.554, residual support = 0.21: HD2 PRO 59 - QD1 ILE 100 11.111% * 48.4291% (0.72 0.77 0.37) = 48.429% kept HA ASN 89 - QD1 ILE 100 11.111% * 26.6580% (0.76 0.41 0.02) = 26.658% kept HB2 SER 88 - QD1 ILE 100 11.111% * 15.6681% (0.43 0.42 0.15) = 15.668% kept HB THR 106 - QD1 ILE 100 11.111% * 5.1186% (0.61 0.10 0.02) = 5.119% kept HA ARG+ 53 - QD1 ILE 100 11.111% * 1.1878% (0.69 0.02 0.02) = 1.188% kept HA2 GLY 71 - QD1 ILE 100 11.111% * 1.0605% (0.61 0.02 0.02) = 1.061% kept HA THR 46 - QD1 ILE 100 11.111% * 0.7498% (0.43 0.02 0.02) = 0.750% HA LYS+ 44 - QD1 ILE 100 11.111% * 0.7192% (0.42 0.02 0.02) = 0.719% HA VAL 105 - QD1 ILE 100 11.111% * 0.4088% (0.24 0.02 0.02) = 0.409% Peak 3784 (4.79, 0.80, 12.73 ppm): 7 chemical-shift based assignments, quality = 0.516, support = 0.411, residual support = 0.0728: HA LYS+ 113 - QD1 ILE 100 14.286% * 31.9674% (0.71 0.42 0.11) = 31.967% kept HA ASP- 115 - QD1 ILE 100 14.286% * 22.6923% (0.43 0.49 0.12) = 22.692% kept HA PRO 116 - QD1 ILE 100 14.286% * 22.3679% (0.56 0.37 0.02) = 22.368% kept HA GLU- 107 - QD1 ILE 100 14.286% * 13.3328% (0.34 0.36 0.02) = 13.333% kept HA ASN 89 - QD1 ILE 100 14.286% * 8.2549% (0.19 0.41 0.02) = 8.255% kept HA ASN 15 - QD1 ILE 100 14.286% * 1.1308% (0.53 0.02 0.02) = 1.131% kept HA MET 97 - QD1 ILE 100 14.286% * 0.2540% (0.12 0.02 0.02) = 0.254% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 3785 (8.34, 0.80, 12.73 ppm): 8 chemical-shift based assignments, quality = 0.347, support = 0.656, residual support = 2.26: HN GLY 114 - QD1 ILE 100 12.500% * 34.8563% (0.40 0.51 0.16) = 34.856% kept HN VAL 99 - QD1 ILE 100 12.500% * 28.5525% (0.12 1.42 7.71) = 28.552% kept HN LYS+ 108 - QD1 ILE 100 12.500% * 19.3762% (0.37 0.31 0.02) = 19.376% kept HN GLU- 109 - QD1 ILE 100 12.500% * 12.4447% (0.64 0.11 0.02) = 12.445% kept HN GLU- 50 - QD1 ILE 100 12.500% * 2.4672% (0.72 0.02 0.02) = 2.467% kept HN ASN 76 - QD1 ILE 100 12.500% * 1.0722% (0.31 0.02 0.02) = 1.072% kept HN ALA 103 - QD1 ILE 100 12.500% * 0.6503% (0.19 0.02 0.02) = 0.650% HN GLY 71 - QD1 ILE 100 12.500% * 0.5807% (0.17 0.02 0.02) = 0.581% Peak 3786 (8.74, 0.80, 12.73 ppm): 4 chemical-shift based assignments, quality = 0.63, support = 2.98, residual support = 8.5: HN ILE 101 - QD1 ILE 100 25.000% * 92.7622% (0.64 3.20 9.15) = 92.762% kept HN VAL 62 - QD1 ILE 100 25.000% * 6.2892% (0.59 0.24 0.11) = 6.289% kept HN GLU- 56 - QD1 ILE 100 25.000% * 0.5557% (0.61 0.02 0.02) = 0.556% HN PHE 34 - QD1 ILE 100 25.000% * 0.3929% (0.43 0.02 0.02) = 0.393% Peak 3788 (8.87, 0.80, 12.73 ppm): 2 chemical-shift based assignments, quality = 0.732, support = 0.42, residual support = 0.976: HN ILE 68 - QD1 ILE 100 50.000% * 96.8178% (0.74 0.43 1.01) = 96.818% kept HN ASP- 36 - QD1 ILE 100 50.000% * 3.1822% (0.53 0.02 0.02) = 3.182% kept Peak 3789 (9.28, 0.80, 12.73 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 0.418, residual support = 0.411: HN LEU 23 - QD1 ILE 100 50.000% * 97.8516% (0.61 0.43 0.42) = 97.852% kept HN ILE 29 - QD1 ILE 100 50.000% * 2.1484% (0.29 0.02 0.02) = 2.148% kept Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 3790 (8.24, 0.40, 14.05 ppm): 14 chemical-shift based assignments, quality = 0.774, support = 3.88, residual support = 24.0: HN SER 49 - QD1 ILE 48 7.143% * 58.5134% (0.77 5.97 39.04) = 58.513% kept HN LEU 67 - QD1 ILE 48 7.143% * 16.2343% (0.83 1.53 6.79) = 16.234% kept HN LYS+ 81 - QD1 ILE 48 7.143% * 7.9472% (0.83 0.75 0.02) = 7.947% kept HN GLY 58 - QD1 ILE 48 7.143% * 6.5537% (0.82 0.62 0.02) = 6.554% kept HN THR 106 - QD1 ILE 48 7.143% * 3.5386% (0.47 0.59 0.02) = 3.539% kept HN GLU- 12 - QD1 ILE 48 7.143% * 3.4488% (0.80 0.34 0.02) = 3.449% kept HN MET 118 - QD1 ILE 48 7.143% * 3.3185% (0.83 0.31 0.02) = 3.318% kept HN ASP- 115 - QD1 ILE 48 7.143% * 0.1034% (0.40 0.02 0.02) = 0.103% HN VAL 94 - QD1 ILE 48 7.143% * 0.0873% (0.34 0.02 0.02) = 0.087% HN VAL 105 - QD1 ILE 48 7.143% * 0.0797% (0.31 0.02 0.02) = 0.080% HN ALA 11 - QD1 ILE 48 7.143% * 0.0530% (0.21 0.02 0.02) = 0.053% HN GLN 16 - QD1 ILE 48 7.143% * 0.0473% (0.18 0.02 0.02) = 0.047% HN GLU- 45 - QD1 ILE 48 7.143% * 0.0420% (0.16 0.02 0.02) = 0.042% HN HIS+ 7 - QD1 ILE 48 7.143% * 0.0328% (0.13 0.02 0.02) = 0.033% Peak 3791 (3.16, 0.73, 14.31 ppm): 9 chemical-shift based assignments, quality = 0.434, support = 0.732, residual support = 1.41: T HB3 HIS+ 98 - QD1 ILE 68 11.111% * 79.6842% (0.46 10.00 0.84 1.76) = 79.684% kept T HA1 GLY 58 - QD1 ILE 68 11.111% * 14.1621% (0.19 10.00 0.35 0.02) = 14.162% kept HD3 PRO 35 - QD1 ILE 68 11.111% * 3.8855% (0.80 1.00 0.23 0.02) = 3.885% kept HB3 PHE 34 - QD1 ILE 68 11.111% * 1.6310% (0.72 1.00 0.11 0.02) = 1.631% kept HD2 ARG+ 53 - QD1 ILE 68 11.111% * 0.2881% (0.69 1.00 0.02 0.02) = 0.288% HD3 ARG+ 84 - QD1 ILE 68 11.111% * 0.1893% (0.46 1.00 0.02 0.02) = 0.189% HE3 LYS+ 108 - QD1 ILE 68 11.111% * 0.0555% (0.13 1.00 0.02 0.02) = 0.056% HE3 LYS+ 117 - QD1 ILE 68 11.111% * 0.0555% (0.13 1.00 0.02 0.02) = 0.056% HE3 LYS+ 72 - QD1 ILE 68 11.111% * 0.0487% (0.12 1.00 0.02 0.02) = 0.049% Peak 3792 (3.18, 0.69, 14.32 ppm): 12 chemical-shift based assignments, quality = 0.335, support = 1.63, residual support = 16.4: HB3 PHE 34 - QD1 ILE 19 8.333% * 61.7082% (0.49 1.00 1.83 25.55) = 61.708% kept HA ASN 89 - QD1 ILE 19 8.333% * 13.5540% (0.08 1.00 2.36 3.37) = 13.554% kept HD3 PRO 35 - QD1 ILE 19 8.333% * 8.6799% (0.15 1.00 0.83 0.10) = 8.680% kept T HA1 GLY 58 - QD1 ILE 68 8.333% * 6.0427% (0.02 10.00 0.35 0.02) = 6.043% kept HA1 GLY 58 - QD1 ILE 19 8.333% * 4.8646% (0.12 1.00 0.58 0.34) = 4.865% kept HA ASN 89 - QD1 ILE 68 8.333% * 2.7409% (0.02 1.00 2.34 4.23) = 2.741% kept HD3 ARG+ 84 - QD1 ILE 19 8.333% * 0.8349% (0.61 1.00 0.02 0.02) = 0.835% HB3 PHE 34 - QD1 ILE 68 8.333% * 0.7467% (0.10 1.00 0.11 0.02) = 0.747% HD3 PRO 35 - QD1 ILE 68 8.333% * 0.5012% (0.03 1.00 0.23 0.02) = 0.501% HD3 ARG+ 84 - QD1 ILE 68 8.333% * 0.1703% (0.12 1.00 0.02 0.02) = 0.170% HD2 ARG+ 53 - QD1 ILE 19 8.333% * 0.1300% (0.09 1.00 0.02 0.02) = 0.130% HD2 ARG+ 53 - QD1 ILE 68 8.333% * 0.0265% (0.02 1.00 0.02 0.02) = 0.027% Peak 3793 (2.62, 0.69, 14.32 ppm): 12 chemical-shift based assignments, quality = 0.575, support = 2.09, residual support = 14.9: T HE2 LYS+ 20 - QD1 ILE 19 8.333% * 89.2007% (0.61 10.00 2.23 15.62) = 89.201% kept HB2 PHE 34 - QD1 ILE 19 8.333% * 3.8918% (0.27 1.00 1.94 25.55) = 3.892% kept T HA1 GLY 58 - QD1 ILE 68 8.333% * 3.1961% (0.12 10.00 0.35 0.02) = 3.196% kept HA1 GLY 58 - QD1 ILE 19 8.333% * 2.5729% (0.61 1.00 0.58 0.34) = 2.573% kept HE2 LYS+ 20 - QD1 ILE 68 8.333% * 0.4659% (0.12 1.00 0.51 1.18) = 0.466% HB2 PHE 34 - QD1 ILE 68 8.333% * 0.3062% (0.06 1.00 0.75 0.02) = 0.306% HB3 ASP- 36 - QD1 ILE 68 8.333% * 0.1772% (0.06 1.00 0.39 0.02) = 0.177% HB2 ASP- 25 - QD1 ILE 19 8.333% * 0.0894% (0.61 1.00 0.02 0.02) = 0.089% HB3 ASP- 36 - QD1 ILE 19 8.333% * 0.0450% (0.31 1.00 0.02 0.02) = 0.045% HB3 ASP- 82 - QD1 ILE 19 8.333% * 0.0305% (0.21 1.00 0.02 0.02) = 0.030% HB2 ASP- 25 - QD1 ILE 68 8.333% * 0.0182% (0.12 1.00 0.02 0.02) = 0.018% HB3 ASP- 82 - QD1 ILE 68 8.333% * 0.0062% (0.04 1.00 0.02 0.02) = 0.006% Peak 3794 (2.26, 0.69, 14.32 ppm): 8 chemical-shift based assignments, quality = 0.158, support = 0.413, residual support = 0.138: T HA1 GLY 58 - QD1 ILE 68 12.500% * 45.9979% (0.06 10.00 0.35 0.02) = 45.998% kept HA1 GLY 58 - QD1 ILE 19 12.500% * 37.0299% (0.27 1.00 0.58 0.34) = 37.030% kept HG2 GLU- 56 - QD1 ILE 19 12.500% * 12.7118% (0.19 1.00 0.28 0.02) = 12.712% kept HB VAL 80 - QD1 ILE 19 12.500% * 1.9887% (0.42 1.00 0.02 0.02) = 1.989% kept HG2 GLU- 56 - QD1 ILE 68 12.500% * 0.8969% (0.04 1.00 0.10 0.02) = 0.897% HG3 GLU- 10 - QD1 ILE 19 12.500% * 0.8050% (0.17 1.00 0.02 0.02) = 0.805% HB VAL 80 - QD1 ILE 68 12.500% * 0.4056% (0.09 1.00 0.02 0.02) = 0.406% HG3 GLU- 10 - QD1 ILE 68 12.500% * 0.1642% (0.03 1.00 0.02 0.02) = 0.164% Not enough quality. Peak unassigned. Peak 3795 (2.77, 0.73, 14.31 ppm): 8 chemical-shift based assignments, quality = 0.615, support = 0.435, residual support = 0.58: T HA1 GLY 58 - QD1 ILE 68 12.500% * 61.5841% (0.79 10.00 0.35 0.02) = 61.584% kept T HE3 LYS+ 20 - QD1 ILE 68 12.500% * 21.6824% (0.15 10.00 0.65 1.18) = 21.682% kept HB3 ASN 89 - QD1 ILE 68 12.500% * 7.3244% (0.46 1.00 0.73 4.23) = 7.324% kept HB3 ASN 15 - QD1 ILE 68 12.500% * 4.9561% (0.84 1.00 0.27 0.02) = 4.956% kept HB3 ASN 57 - QD1 ILE 68 12.500% * 2.7898% (0.63 1.00 0.20 0.02) = 2.790% kept HA2 GLY 58 - QD1 ILE 68 12.500% * 1.2420% (0.12 1.00 0.48 0.02) = 1.242% kept HB2 ASN 119 - QD1 ILE 68 12.500% * 0.2778% (0.63 1.00 0.02 0.02) = 0.278% HB2 HIS+ 5 - QD1 ILE 68 12.500% * 0.1436% (0.33 1.00 0.02 0.02) = 0.144% Peak 3796 (1.38, 0.73, 14.31 ppm): 12 chemical-shift based assignments, quality = 0.623, support = 1.52, residual support = 2.5: HG LEU 74 - QD1 ILE 68 8.333% * 26.2066% (0.42 2.76 5.42) = 26.207% kept HB2 LYS+ 20 - QD1 ILE 68 8.333% * 26.1484% (0.88 1.33 1.18) = 26.148% kept HD3 LYS+ 20 - QD1 ILE 68 8.333% * 13.0172% (0.57 1.02 1.18) = 13.017% kept HG2 LYS+ 78 - QD1 ILE 68 8.333% * 11.5875% (0.79 0.66 0.10) = 11.587% kept HG13 ILE 19 - QD1 ILE 68 8.333% * 9.9188% (0.22 2.02 5.21) = 9.919% kept HB3 LYS+ 20 - QD1 ILE 68 8.333% * 5.7254% (0.76 0.34 1.18) = 5.725% kept QG2 THR 39 - QD1 ILE 68 8.333% * 5.6353% (0.87 0.29 0.02) = 5.635% kept HG3 ARG+ 22 - QD1 ILE 68 8.333% * 1.3847% (0.24 0.25 1.61) = 1.385% kept QB ALA 91 - QD1 ILE 68 8.333% * 0.1766% (0.39 0.02 0.02) = 0.177% QB ALA 42 - QD1 ILE 68 8.333% * 0.0780% (0.17 0.02 0.02) = 0.078% QB ALA 37 - QD1 ILE 68 8.333% * 0.0608% (0.14 0.02 0.02) = 0.061% QG2 THR 38 - QD1 ILE 68 8.333% * 0.0608% (0.14 0.02 0.02) = 0.061% Peak 3797 (1.63, 0.73, 14.31 ppm): 13 chemical-shift based assignments, quality = 0.773, support = 1.95, residual support = 11.7: HB2 LEU 67 - QD1 ILE 68 7.692% * 55.6991% (0.85 1.00 3.00 20.60) = 55.699% kept HB ILE 100 - QD1 ILE 68 7.692% * 16.6179% (0.85 1.00 0.90 1.01) = 16.618% kept HG12 ILE 101 - QD1 ILE 68 7.692% * 8.7430% (0.85 1.00 0.47 0.02) = 8.743% kept HB3 MET 97 - QD1 ILE 68 7.692% * 6.1965% (0.33 1.00 0.86 0.02) = 6.197% kept HG3 LYS+ 78 - QD1 ILE 68 7.692% * 4.0960% (0.64 1.00 0.29 0.10) = 4.096% kept HB3 ARG+ 22 - QD1 ILE 68 7.692% * 4.0828% (0.39 1.00 0.47 1.61) = 4.083% kept HG LEU 23 - QD1 ILE 68 7.692% * 2.8543% (0.87 1.00 0.15 0.02) = 2.854% kept T HB2 HIS+ 8 - QD1 ILE 68 7.692% * 0.7606% (0.17 10.00 0.02 0.02) = 0.761% HG3 ARG+ 84 - QD1 ILE 68 7.692% * 0.5296% (0.17 1.00 0.14 0.02) = 0.530% HG2 LYS+ 110 - QD1 ILE 68 7.692% * 0.1442% (0.33 1.00 0.02 0.02) = 0.144% HG3 LYS+ 110 - QD1 ILE 68 7.692% * 0.1311% (0.30 1.00 0.02 0.02) = 0.131% HB3 LEU 17 - QD1 ILE 68 7.692% * 0.0856% (0.20 1.00 0.02 0.02) = 0.086% HD3 LYS+ 32 - QD1 ILE 68 7.692% * 0.0593% (0.14 1.00 0.02 0.02) = 0.059% Peak 3798 (2.20, 0.83, 15.60 ppm): 34 chemical-shift based assignments, quality = 0.312, support = 0.616, residual support = 0.602: HB2 GLU- 50 - QD1 ILE 29 2.941% * 17.8825% (0.36 0.96 0.65) = 17.883% kept HA1 GLY 58 - QD1 ILE 29 2.941% * 15.5408% (0.31 0.97 2.32) = 15.541% kept HB2 GLU- 50 - QG1 VAL 13 2.941% * 15.1740% (0.37 0.80 0.02) = 15.174% kept HG2 GLN 16 - QD1 ILE 29 2.941% * 14.7566% (0.50 0.57 0.61) = 14.757% kept HG3 GLN 16 - QD1 ILE 29 2.941% * 4.9121% (0.17 0.57 0.61) = 4.912% kept HB2 ASP- 82 - QG1 VAL 13 2.941% * 4.7703% (0.37 0.25 0.02) = 4.770% kept HB3 PRO 52 - QG1 VAL 13 2.941% * 3.7336% (0.13 0.54 0.02) = 3.734% kept HB3 PRO 52 - QD1 ILE 29 2.941% * 3.5314% (0.13 0.53 0.02) = 3.531% kept HB2 ASP- 82 - QD1 ILE 29 2.941% * 3.1032% (0.36 0.17 0.02) = 3.103% kept HG2 GLN 16 - QG1 VAL 13 2.941% * 2.0983% (0.51 0.08 0.02) = 2.098% kept HG3 MET 118 - QD1 ILE 29 2.941% * 1.8762% (0.19 0.19 0.02) = 1.876% kept HG2 MET 126 - QG1 VAL 13 2.941% * 1.0060% (0.97 0.02 0.02) = 1.006% kept HB2 LYS+ 113 - QG1 VAL 13 2.941% * 0.9949% (0.96 0.02 0.02) = 0.995% HG2 MET 126 - QD1 ILE 29 2.941% * 0.9824% (0.94 0.02 0.02) = 0.982% HB2 LYS+ 113 - QD1 ILE 29 2.941% * 0.9715% (0.93 0.02 0.02) = 0.972% HG3 GLU- 54 - QG1 VAL 13 2.941% * 0.9103% (0.87 0.02 0.02) = 0.910% HG3 GLU- 54 - QD1 ILE 29 2.941% * 0.8889% (0.85 0.02 0.02) = 0.889% HG3 GLN 16 - QG1 VAL 13 2.941% * 0.6985% (0.17 0.08 0.02) = 0.698% HB3 PRO 104 - QG1 VAL 13 2.941% * 0.5746% (0.55 0.02 0.02) = 0.575% HG3 MET 126 - QG1 VAL 13 2.941% * 0.5746% (0.55 0.02 0.02) = 0.575% HB3 PRO 104 - QD1 ILE 29 2.941% * 0.5612% (0.54 0.02 0.02) = 0.561% HG3 MET 126 - QD1 ILE 29 2.941% * 0.5612% (0.54 0.02 0.02) = 0.561% HG3 GLU- 109 - QG1 VAL 13 2.941% * 0.4941% (0.47 0.02 0.02) = 0.494% HG3 GLU- 109 - QD1 ILE 29 2.941% * 0.4825% (0.46 0.02 0.02) = 0.482% HG3 GLU- 107 - QG1 VAL 13 2.941% * 0.3462% (0.33 0.02 0.02) = 0.346% HG2 GLN 102 - QG1 VAL 13 2.941% * 0.3462% (0.33 0.02 0.02) = 0.346% HG3 GLU- 107 - QD1 ILE 29 2.941% * 0.3381% (0.32 0.02 0.02) = 0.338% HG2 GLN 102 - QD1 ILE 29 2.941% * 0.3381% (0.32 0.02 0.02) = 0.338% HA1 GLY 58 - QG1 VAL 13 2.941% * 0.3283% (0.32 0.02 0.02) = 0.328% HG3 GLU- 18 - QG1 VAL 13 2.941% * 0.3133% (0.30 0.02 0.02) = 0.313% HG3 GLU- 18 - QD1 ILE 29 2.941% * 0.3059% (0.29 0.02 0.02) = 0.306% HB3 GLU- 75 - QG1 VAL 13 2.941% * 0.2040% (0.20 0.02 0.02) = 0.204% HG3 MET 118 - QG1 VAL 13 2.941% * 0.2009% (0.19 0.02 0.02) = 0.201% HB3 GLU- 75 - QD1 ILE 29 2.941% * 0.1992% (0.19 0.02 0.02) = 0.199% Peak 3799 (2.39, 0.83, 15.60 ppm): 8 chemical-shift based assignments, quality = 0.871, support = 2.85, residual support = 18.2: HB3 ASP- 28 - QD1 ILE 29 12.500% * 75.7079% (0.93 3.53 23.50) = 75.708% kept HA1 GLY 58 - QD1 ILE 29 12.500% * 14.8240% (0.67 0.97 2.32) = 14.824% kept HB2 LYS+ 78 - QD1 ILE 29 12.500% * 8.2044% (0.80 0.45 0.19) = 8.204% kept HB3 ASP- 28 - QG1 VAL 13 12.500% * 0.4394% (0.96 0.02 0.02) = 0.439% HB2 LYS+ 78 - QG1 VAL 13 12.500% * 0.3744% (0.81 0.02 0.02) = 0.374% HA1 GLY 58 - QG1 VAL 13 12.500% * 0.3131% (0.68 0.02 0.02) = 0.313% HB2 MET 1 - QG1 VAL 13 12.500% * 0.0692% (0.15 0.02 0.02) = 0.069% HB2 MET 1 - QD1 ILE 29 12.500% * 0.0675% (0.15 0.02 0.02) = 0.068% Peak 3800 (2.76, 0.83, 15.60 ppm): 16 chemical-shift based assignments, quality = 0.806, support = 1.14, residual support = 2.92: HB3 ASN 15 - QD1 ILE 29 6.250% * 46.9943% (0.94 1.70 3.40) = 46.994% kept HA1 GLY 58 - QD1 ILE 29 6.250% * 24.9055% (0.88 0.97 2.32) = 24.906% kept HB3 ASN 15 - QG1 VAL 13 6.250% * 5.8138% (0.97 0.21 0.37) = 5.814% kept HB2 HIS+ 5 - QG1 VAL 13 6.250% * 5.2252% (0.59 0.30 0.02) = 5.225% kept HB2 ASN 119 - QD1 ILE 29 6.250% * 4.8837% (0.46 0.36 0.02) = 4.884% kept HB3 PHE 21 - QD1 ILE 29 6.250% * 4.3487% (0.17 0.89 16.57) = 4.349% kept HB3 ASN 57 - QD1 ILE 29 6.250% * 3.5380% (0.46 0.26 0.02) = 3.538% kept HE3 LYS+ 20 - QD1 ILE 29 6.250% * 1.2553% (0.32 0.13 0.02) = 1.255% kept HB3 ASN 57 - QG1 VAL 13 6.250% * 1.2509% (0.47 0.09 0.02) = 1.251% kept HA1 GLY 58 - QG1 VAL 13 6.250% * 0.5261% (0.90 0.02 0.02) = 0.526% HB2 HIS+ 5 - QD1 ILE 29 6.250% * 0.3380% (0.58 0.02 0.02) = 0.338% HB2 ASN 119 - QG1 VAL 13 6.250% * 0.2778% (0.47 0.02 0.02) = 0.278% HE3 LYS+ 20 - QG1 VAL 13 6.250% * 0.1947% (0.33 0.02 0.02) = 0.195% HB3 ASN 89 - QG1 VAL 13 6.250% * 0.1761% (0.30 0.02 1.02) = 0.176% HB3 ASN 89 - QD1 ILE 29 6.250% * 0.1720% (0.29 0.02 0.02) = 0.172% HB3 PHE 21 - QG1 VAL 13 6.250% * 0.0999% (0.17 0.02 0.02) = 0.100% Peak 3801 (7.21, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.84, support = 1.04, residual support = 1.52: HH2 TRP 51 - QG1 VAL 13 25.000% * 28.2034% (0.79 1.23 1.62) = 28.203% kept HH2 TRP 51 - QD1 ILE 29 25.000% * 24.9816% (0.81 1.06 1.42) = 24.982% kept HN TRP 51 - QG1 VAL 13 25.000% * 23.8508% (0.88 0.94 1.62) = 23.851% kept HN TRP 51 - QD1 ILE 29 25.000% * 22.9643% (0.90 0.88 1.42) = 22.964% kept Peak 3802 (6.88, 0.83, 15.64 ppm): 8 chemical-shift based assignments, quality = 0.676, support = 1.36, residual support = 9.23: QD PHE 21 - QD1 ILE 29 12.500% * 43.9543% (0.86 1.39 16.57) = 43.954% kept HD22 ASN 15 - QD1 ILE 29 12.500% * 35.2160% (0.49 1.96 3.40) = 35.216% kept HD21 ASN 119 - QD1 ILE 29 12.500% * 9.1036% (0.93 0.27 0.02) = 9.104% kept HD22 ASN 15 - QG1 VAL 13 12.500% * 5.8256% (0.48 0.33 0.37) = 5.826% kept HZ PHE 21 - QD1 ILE 29 12.500% * 4.4119% (0.29 0.42 16.57) = 4.412% kept HD21 ASN 119 - QG1 VAL 13 12.500% * 0.6662% (0.91 0.02 0.02) = 0.666% QD PHE 21 - QG1 VAL 13 12.500% * 0.6163% (0.84 0.02 0.02) = 0.616% HZ PHE 21 - QG1 VAL 13 12.500% * 0.2061% (0.28 0.02 0.02) = 0.206% Peak 3803 (6.74, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.813, support = 1.02, residual support = 1.33: HZ3 TRP 51 - QG1 VAL 13 25.000% * 44.2172% (0.79 1.18 1.62) = 44.217% kept HZ3 TRP 51 - QD1 ILE 29 25.000% * 42.9250% (0.81 1.12 1.42) = 42.925% kept QE TYR 83 - QD1 ILE 29 25.000% * 9.4646% (0.92 0.22 0.02) = 9.465% kept QE TYR 83 - QG1 VAL 13 25.000% * 3.3932% (0.90 0.08 0.02) = 3.393% kept Peak 3804 (9.31, 0.83, 15.64 ppm): 4 chemical-shift based assignments, quality = 0.569, support = 4.16, residual support = 54.2: HN ILE 29 - QD1 ILE 29 25.000% * 81.6464% (0.64 4.77 65.06) = 81.646% kept HN LEU 23 - QD1 ILE 29 25.000% * 12.2335% (0.26 1.76 8.51) = 12.234% kept HN LEU 23 - QG1 VAL 13 25.000% * 5.7858% (0.25 0.86 0.42) = 5.786% kept HN ILE 29 - QG1 VAL 13 25.000% * 0.3342% (0.62 0.02 0.02) = 0.334% Peak 3805 (3.87, 0.72, 16.73 ppm): 11 chemical-shift based assignments, quality = 0.268, support = 5.62, residual support = 103.2: O T HA ILE 48 - QG2 ILE 48 9.091% * 93.0731% (0.26 10.0 10.00 6.02 110.84) = 93.073% kept HA ASN 89 - QG2 ILE 48 9.091% * 2.4715% (0.58 1.0 1.00 0.24 0.02) = 2.471% kept T HA LYS+ 44 - QG2 ILE 48 9.091% * 1.5324% (0.43 1.0 10.00 0.02 0.02) = 1.532% kept HB3 SER 88 - QG2 ILE 48 9.091% * 1.1784% (0.51 1.0 1.00 0.13 0.02) = 1.178% kept HB2 SER 85 - QG2 ILE 48 9.091% * 0.8704% (0.63 1.0 1.00 0.08 0.02) = 0.870% HA VAL 87 - QG2 ILE 48 9.091% * 0.2037% (0.57 1.0 1.00 0.02 0.02) = 0.204% HA VAL 125 - QG2 ILE 48 9.091% * 0.1970% (0.55 1.0 1.00 0.02 0.02) = 0.197% HD2 PRO 116 - QG2 ILE 48 9.091% * 0.1819% (0.51 1.0 1.00 0.02 0.02) = 0.182% HD2 PRO 86 - QG2 ILE 48 9.091% * 0.1649% (0.46 1.0 1.00 0.02 0.02) = 0.165% HD3 PRO 86 - QG2 ILE 48 9.091% * 0.0852% (0.24 1.0 1.00 0.02 0.02) = 0.085% HB3 SER 77 - QG2 ILE 48 9.091% * 0.0415% (0.12 1.0 1.00 0.02 0.02) = 0.042% Peak 3806 (4.06, 0.72, 16.73 ppm): 6 chemical-shift based assignments, quality = 0.574, support = 2.61, residual support = 31.2: HB2 SER 49 - QG2 ILE 48 16.667% * 80.0111% (0.60 1.00 3.18 39.04) = 80.011% kept HA LYS+ 63 - QG2 ILE 48 16.667% * 7.6299% (0.33 1.00 0.55 0.02) = 7.630% kept HA ASN 89 - QG2 ILE 48 16.667% * 6.3182% (0.63 1.00 0.24 0.02) = 6.318% kept T HA LYS+ 44 - QG2 ILE 48 16.667% * 4.5232% (0.54 10.00 0.02 0.02) = 4.523% kept HB3 SER 85 - QG2 ILE 48 16.667% * 1.3206% (0.41 1.00 0.08 0.02) = 1.321% kept HB3 SER 77 - QG2 ILE 48 16.667% * 0.1971% (0.23 1.00 0.02 0.02) = 0.197% 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): 6 chemical-shift based assignments, quality = 0.714, support = 0.289, residual support = 0.251: HA GLU- 107 - QB ALA 70 16.667% * 84.2967% (0.80 0.33 0.29) = 84.297% kept HA ASN 89 - QB ALA 70 16.667% * 7.9226% (0.20 0.13 0.02) = 7.923% kept HA MET 97 - QB ALA 70 16.667% * 3.2814% (0.51 0.02 0.02) = 3.281% kept HA LYS+ 113 - QB ALA 70 16.667% * 2.2242% (0.35 0.02 0.02) = 2.224% kept HA PRO 116 - QB ALA 70 16.667% * 1.2045% (0.19 0.02 0.02) = 1.204% kept HA ASN 15 - QB ALA 70 16.667% * 1.0707% (0.17 0.02 0.02) = 1.071% kept Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 3811 (4.99, 1.48, 17.39 ppm): 2 chemical-shift based assignments, quality = 0.638, support = 0.741, residual support = 3.38: HA ILE 68 - QB ALA 70 50.000% * 98.8238% (0.64 0.75 3.42) = 98.824% kept HA PHE 34 - QB ALA 70 50.000% * 1.1762% (0.29 0.02 0.02) = 1.176% kept Peak 3812 (7.97, 1.48, 17.39 ppm): 3 chemical-shift based assignments, quality = 0.405, support = 1.89, residual support = 1.7: HN LYS+ 72 - QB ALA 70 33.333% * 89.6563% (0.38 2.09 1.89) = 89.656% kept HN LEU 43 - QB ALA 70 33.333% * 9.9650% (0.67 0.13 0.02) = 9.965% kept HN MET 126 - QB ALA 70 33.333% * 0.3787% (0.17 0.02 0.02) = 0.379% Peak 3813 (8.37, 1.48, 17.39 ppm): 4 chemical-shift based assignments, quality = 0.742, support = 3.43, residual support = 14.3: HN GLY 71 - QB ALA 70 25.000% * 87.6190% (0.78 3.83 16.28) = 87.619% kept HN LYS+ 108 - QB ALA 70 25.000% * 11.3574% (0.54 0.71 0.02) = 11.357% kept HN GLU- 109 - QB ALA 70 25.000% * 0.5787% (0.26 0.08 0.02) = 0.579% HN ALA 103 - QB ALA 70 25.000% * 0.4448% (0.75 0.02 0.02) = 0.445% Peak 3814 (9.51, 1.48, 17.39 ppm): 2 chemical-shift based assignments, quality = 0.315, support = 2.31, residual support = 12.6: O HN ALA 70 - QB ALA 70 50.000% * 99.7968% (0.32 10.0 2.31 12.66) = 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 = 0.646, support = 1.62, residual support = 3.79: HN ILE 48 - QG2 ILE 29 50.000% * 77.7148% (0.68 1.89 3.79) = 77.715% kept HN ILE 48 - HG12 ILE 29 50.000% * 22.2852% (0.52 0.71 3.79) = 22.285% kept Peak 3816 (4.73, 0.94, 17.30 ppm): 14 chemical-shift based assignments, quality = 0.591, support = 2.19, residual support = 5.71: HA2 GLY 30 - HG12 ILE 29 7.143% * 26.1926% (0.42 3.41 10.68) = 26.193% kept HA PRO 31 - QG2 ILE 29 7.143% * 25.5506% (0.86 1.62 0.45) = 25.551% kept HA2 GLY 30 - QG2 ILE 29 7.143% * 25.4759% (0.56 2.47 10.68) = 25.476% kept HA PRO 31 - HG12 ILE 29 7.143% * 16.7779% (0.64 1.42 0.45) = 16.778% kept HA ASN 89 - HG12 ILE 29 7.143% * 2.2726% (0.23 0.54 0.02) = 2.273% kept HA ASN 89 - QG2 ILE 29 7.143% * 1.8848% (0.31 0.33 0.02) = 1.885% kept HA MET 118 - QG2 ILE 29 7.143% * 0.6847% (0.41 0.09 0.02) = 0.685% HA HIS+ 7 - QG2 ILE 29 7.143% * 0.3269% (0.89 0.02 0.02) = 0.327% HA HIS+ 7 - HG12 ILE 29 7.143% * 0.2437% (0.66 0.02 0.02) = 0.244% HA HIS+ 5 - QG2 ILE 29 7.143% * 0.1499% (0.41 0.02 0.02) = 0.150% HA VAL 40 - QG2 ILE 29 7.143% * 0.1243% (0.34 0.02 0.02) = 0.124% HA MET 118 - HG12 ILE 29 7.143% * 0.1117% (0.30 0.02 0.02) = 0.112% HA HIS+ 5 - HG12 ILE 29 7.143% * 0.1117% (0.30 0.02 0.02) = 0.112% HA VAL 40 - HG12 ILE 29 7.143% * 0.0927% (0.25 0.02 0.02) = 0.093% 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 = 4.89, residual support = 18.8: HN ILE 100 - QG2 ILE 100 100.000% *100.0000% (0.79 4.89 18.79) = 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): 7 chemical-shift based assignments, quality = 0.527, support = 2.08, residual support = 4.99: T HB THR 38 - QB ALA 37 14.286% * 77.4252% (0.53 10.00 2.54 6.43) = 77.425% kept T HA LYS+ 44 - QB ALA 37 14.286% * 18.8022% (0.53 10.00 0.49 0.02) = 18.802% kept HA ASN 89 - QB ALA 37 14.286% * 2.1041% (0.54 1.00 0.53 0.14) = 2.104% kept HB3 SER 77 - QB ALA 37 14.286% * 1.0502% (0.43 1.00 0.34 0.02) = 1.050% kept HB THR 39 - QB ALA 37 14.286% * 0.5703% (0.24 1.00 0.32 0.02) = 0.570% HB3 HIS+ 5 - QB ALA 37 14.286% * 0.0325% (0.22 1.00 0.02 0.02) = 0.032% HB3 SER 85 - QB ALA 37 14.286% * 0.0156% (0.11 1.00 0.02 0.02) = 0.016% Peak 3821 (7.36, 1.14, 19.89 ppm): 2 chemical-shift based assignments, quality = 0.673, support = 0.0722, residual support = 0.02: HE22 GLN 102 - QB ALA 33 50.000% * 81.2325% (0.68 0.08 0.02) = 81.232% kept HE ARG+ 53 - QB ALA 33 50.000% * 18.7675% (0.66 0.02 0.02) = 18.768% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3822 (4.12, 0.91, 20.89 ppm): 20 chemical-shift based assignments, quality = 0.395, support = 2.01, residual support = 9.17: O HA VAL 105 - QG2 VAL 105 5.000% * 38.7415% (0.37 10.0 1.00 2.31 12.27) = 38.742% kept T HB2 SER 88 - QG2 VAL 87 5.000% * 23.5921% (0.23 1.0 10.00 2.96 15.95) = 23.592% kept T HA LYS+ 44 - QG2 VAL 87 5.000% * 15.4212% (0.47 1.0 10.00 0.63 0.32) = 15.421% kept HA ASN 89 - QG2 VAL 105 5.000% * 6.9381% (0.61 1.0 1.00 2.19 2.35) = 6.938% kept HA ASN 89 - QG2 VAL 87 5.000% * 6.8413% (0.81 1.0 1.00 1.63 2.34) = 6.841% kept T HB2 SER 88 - QG2 VAL 105 5.000% * 4.1139% (0.17 1.0 10.00 0.46 0.02) = 4.114% kept HB THR 106 - QG2 VAL 105 5.000% * 3.3521% (0.61 1.0 1.00 1.06 8.23) = 3.352% kept T HA LYS+ 44 - QG2 VAL 105 5.000% * 0.3708% (0.36 1.0 10.00 0.02 0.02) = 0.371% HA ARG+ 53 - QG2 VAL 87 5.000% * 0.0847% (0.81 1.0 1.00 0.02 0.02) = 0.085% HB THR 106 - QG2 VAL 87 5.000% * 0.0841% (0.81 1.0 1.00 0.02 0.02) = 0.084% HA THR 46 - QG2 VAL 87 5.000% * 0.0736% (0.71 1.0 1.00 0.02 0.02) = 0.074% HA ARG+ 53 - QG2 VAL 105 5.000% * 0.0637% (0.61 1.0 1.00 0.02 0.02) = 0.064% HD2 PRO 59 - QG2 VAL 87 5.000% * 0.0583% (0.56 1.0 1.00 0.02 0.02) = 0.058% HA THR 46 - QG2 VAL 105 5.000% * 0.0554% (0.53 1.0 1.00 0.02 0.02) = 0.055% HA VAL 105 - QG2 VAL 87 5.000% * 0.0515% (0.49 1.0 1.00 0.02 0.02) = 0.051% HD2 PRO 59 - QG2 VAL 105 5.000% * 0.0439% (0.42 1.0 1.00 0.02 0.02) = 0.044% HA2 GLY 71 - QG2 VAL 87 5.000% * 0.0413% (0.40 1.0 1.00 0.02 0.02) = 0.041% HA2 GLY 71 - QG2 VAL 105 5.000% * 0.0311% (0.30 1.0 1.00 0.02 0.02) = 0.031% HA ALA 70 - QG2 VAL 87 5.000% * 0.0236% (0.23 1.0 1.00 0.02 0.02) = 0.024% HA ALA 70 - QG2 VAL 105 5.000% * 0.0178% (0.17 1.0 1.00 0.02 0.02) = 0.018% 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): 56 chemical-shift based assignments, quality = 0.183, support = 1.26, residual support = 3.25: HA VAL 73 - QG2 THR 95 1.786% * 23.0036% (0.26 1.24 1.43) = 23.004% kept HA ASN 89 - QG2 THR 95 1.786% * 21.2489% (0.20 1.49 2.27) = 21.249% kept HA LYS+ 60 - QG2 THR 61 1.786% * 19.2427% (0.13 2.14 12.44) = 19.243% kept HA SER 88 - QG2 THR 95 1.786% * 17.3990% (0.23 1.07 0.12) = 17.399% kept HA VAL 73 - QG2 THR 96 1.786% * 3.6459% (0.07 0.70 0.34) = 3.646% kept HA LYS+ 60 - QG2 THR 95 1.786% * 3.3015% (0.21 0.22 0.02) = 3.301% kept HA ASN 89 - QG2 THR 96 1.786% * 2.9490% (0.06 0.73 0.36) = 2.949% kept HA ASN 89 - QG2 THR 61 1.786% * 2.3874% (0.12 0.28 0.02) = 2.387% kept HA LYS+ 60 - QG2 THR 96 1.786% * 0.7541% (0.06 0.18 0.02) = 0.754% HA THR 38 - QG2 THR 79 1.786% * 0.6809% (0.08 0.12 0.02) = 0.681% HA TRP 51 - QG2 THR 95 1.786% * 0.3755% (0.27 0.02 0.02) = 0.376% HA ASN 57 - QG2 THR 95 1.786% * 0.3375% (0.24 0.02 0.02) = 0.338% HA ALA 37 - QG2 THR 95 1.786% * 0.3265% (0.23 0.02 0.02) = 0.326% HA THR 38 - QG2 THR 95 1.786% * 0.2585% (0.18 0.02 0.02) = 0.259% HA TRP 51 - QG2 THR 61 1.786% * 0.2245% (0.16 0.02 0.02) = 0.224% HA VAL 73 - QG2 THR 61 1.786% * 0.2218% (0.16 0.02 0.02) = 0.222% HA ASN 57 - QG2 THR 61 1.786% * 0.2018% (0.14 0.02 0.02) = 0.202% HA ALA 37 - QG2 THR 61 1.786% * 0.1952% (0.14 0.02 0.02) = 0.195% HA SER 88 - QG2 THR 61 1.786% * 0.1952% (0.14 0.02 0.02) = 0.195% HB3 HIS+ 4 - QG2 THR 95 1.786% * 0.1832% (0.13 0.02 0.22) = 0.183% HA TRP 51 - QG2 THR 79 1.786% * 0.1601% (0.11 0.02 0.02) = 0.160% HA VAL 73 - QG2 THR 79 1.786% * 0.1581% (0.11 0.02 0.02) = 0.158% HA THR 38 - QG2 THR 61 1.786% * 0.1546% (0.11 0.02 0.02) = 0.155% HA ASN 57 - QG2 THR 79 1.786% * 0.1439% (0.10 0.02 0.02) = 0.144% HA2 GLY 26 - QG2 THR 95 1.786% * 0.1413% (0.10 0.02 0.02) = 0.141% HA SER 88 - QG2 THR 79 1.786% * 0.1391% (0.10 0.02 0.02) = 0.139% HA ALA 37 - QG2 THR 79 1.786% * 0.1391% (0.10 0.02 0.02) = 0.139% HA LYS+ 60 - QG2 THR 79 1.786% * 0.1285% (0.09 0.02 0.02) = 0.128% HA ASN 89 - QG2 THR 79 1.786% * 0.1215% (0.09 0.02 0.02) = 0.122% HB3 HIS+ 4 - QG2 THR 61 1.786% * 0.1095% (0.08 0.02 0.02) = 0.110% HA TRP 51 - QG2 THR 96 1.786% * 0.1060% (0.08 0.02 0.02) = 0.106% HA LYS+ 117 - QG2 THR 95 1.786% * 0.1046% (0.07 0.02 0.02) = 0.105% HA ASN 57 - QG2 THR 96 1.786% * 0.0952% (0.07 0.02 0.02) = 0.095% HA ALA 37 - QG2 THR 96 1.786% * 0.0921% (0.07 0.02 0.02) = 0.092% HA SER 88 - QG2 THR 96 1.786% * 0.0921% (0.07 0.02 0.14) = 0.092% HA2 GLY 26 - QG2 THR 61 1.786% * 0.0844% (0.06 0.02 0.02) = 0.084% HB3 HIS+ 4 - QG2 THR 79 1.786% * 0.0781% (0.06 0.02 0.02) = 0.078% HA MET 1 - QG2 THR 95 1.786% * 0.0745% (0.05 0.02 0.02) = 0.074% HA THR 38 - QG2 THR 96 1.786% * 0.0730% (0.05 0.02 0.02) = 0.073% HA THR 24 - QG2 THR 95 1.786% * 0.0659% (0.05 0.02 0.02) = 0.066% HA LYS+ 117 - QG2 THR 61 1.786% * 0.0626% (0.04 0.02 0.02) = 0.063% HA2 GLY 26 - QG2 THR 79 1.786% * 0.0602% (0.04 0.02 0.02) = 0.060% HA HIS+ 14 - QG2 THR 95 1.786% * 0.0581% (0.04 0.02 0.02) = 0.058% HB3 HIS+ 4 - QG2 THR 96 1.786% * 0.0517% (0.04 0.02 0.02) = 0.052% HA LYS+ 117 - QG2 THR 79 1.786% * 0.0446% (0.03 0.02 0.02) = 0.045% HA MET 1 - QG2 THR 61 1.786% * 0.0445% (0.03 0.02 0.02) = 0.045% HA2 GLY 26 - QG2 THR 96 1.786% * 0.0399% (0.03 0.02 0.02) = 0.040% HA THR 24 - QG2 THR 61 1.786% * 0.0394% (0.03 0.02 0.02) = 0.039% HA HIS+ 14 - QG2 THR 61 1.786% * 0.0347% (0.02 0.02 0.02) = 0.035% HA MET 1 - QG2 THR 79 1.786% * 0.0317% (0.02 0.02 0.02) = 0.032% HA LYS+ 117 - QG2 THR 96 1.786% * 0.0295% (0.02 0.02 0.02) = 0.030% HA THR 24 - QG2 THR 79 1.786% * 0.0281% (0.02 0.02 0.02) = 0.028% HA HIS+ 14 - QG2 THR 79 1.786% * 0.0248% (0.02 0.02 0.02) = 0.025% HA MET 1 - QG2 THR 96 1.786% * 0.0210% (0.01 0.02 0.02) = 0.021% HA THR 24 - QG2 THR 96 1.786% * 0.0186% (0.01 0.02 0.02) = 0.019% HA HIS+ 14 - QG2 THR 96 1.786% * 0.0164% (0.01 0.02 0.02) = 0.016% Not enough quality. Peak unassigned. Peak 3826 (4.87, 1.08, 21.52 ppm): 16 chemical-shift based assignments, quality = 0.257, support = 2.1, residual support = 11.3: O HA THR 95 - QG2 THR 95 6.250% * 96.2410% (0.27 10.0 2.14 11.56) = 96.241% kept HA THR 95 - QG2 THR 96 6.250% * 1.5393% (0.07 1.0 1.13 7.85) = 1.539% kept HA ASN 89 - QG2 THR 95 6.250% * 1.3240% (0.05 1.0 1.49 2.27) = 1.324% kept HA ASN 89 - QG2 THR 96 6.250% * 0.1838% (0.01 1.0 0.73 0.36) = 0.184% HA THR 95 - QG2 THR 79 6.250% * 0.1589% (0.11 1.0 0.08 0.02) = 0.159% HA ASN 89 - QG2 THR 61 6.250% * 0.1488% (0.03 1.0 0.28 0.02) = 0.149% HA ILE 19 - QG2 THR 95 6.250% * 0.0842% (0.23 1.0 0.02 1.95) = 0.084% HA SER 69 - QG2 THR 95 6.250% * 0.0628% (0.17 1.0 0.02 0.02) = 0.063% HA THR 95 - QG2 THR 61 6.250% * 0.0575% (0.16 1.0 0.02 0.02) = 0.058% HA ILE 19 - QG2 THR 61 6.250% * 0.0504% (0.14 1.0 0.02 0.02) = 0.050% HA SER 69 - QG2 THR 61 6.250% * 0.0376% (0.10 1.0 0.02 0.02) = 0.038% HA ILE 19 - QG2 THR 79 6.250% * 0.0359% (0.10 1.0 0.02 0.02) = 0.036% HA SER 69 - QG2 THR 79 6.250% * 0.0268% (0.07 1.0 0.02 0.02) = 0.027% HA ILE 19 - QG2 THR 96 6.250% * 0.0238% (0.07 1.0 0.02 4.44) = 0.024% HA SER 69 - QG2 THR 96 6.250% * 0.0177% (0.05 1.0 0.02 0.02) = 0.018% HA ASN 89 - QG2 THR 79 6.250% * 0.0076% (0.02 1.0 0.02 0.02) = 0.008% 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): 7 chemical-shift based assignments, quality = 0.131, support = 0.0694, residual support = 0.02: HA VAL 40 - QG2 THR 79 14.286% * 47.6578% (0.11 0.12 0.02) = 47.658% kept HA HIS+ 7 - QG2 THR 79 14.286% * 14.5301% (0.21 0.02 0.02) = 14.530% kept HA PRO 31 - QG2 THR 79 14.286% * 10.0700% (0.15 0.02 0.02) = 10.070% kept HA MET 118 - QG2 THR 79 14.286% * 8.8917% (0.13 0.02 0.02) = 8.892% kept HA HIS+ 5 - QG2 THR 79 14.286% * 8.8917% (0.13 0.02 0.02) = 8.892% kept HA2 GLY 30 - QG2 THR 79 14.286% * 5.5020% (0.08 0.02 0.02) = 5.502% kept HA ASN 89 - QG2 THR 79 14.286% * 4.4567% (0.07 0.02 0.02) = 4.457% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3830 (3.47, -0.11, 21.88 ppm): 7 chemical-shift based assignments, quality = 0.702, support = 0.682, residual support = 0.422: HA1 GLY 71 - QD1 LEU 43 14.286% * 31.0485% (0.97 0.67 0.49) = 31.048% kept HD3 PRO 31 - QD1 LEU 43 14.286% * 29.6608% (0.96 0.64 0.73) = 29.661% kept HA ASN 89 - QD1 LEU 43 14.286% * 14.4734% (0.39 0.76 0.21) = 14.473% kept HA VAL 62 - QD1 LEU 43 14.286% * 9.4354% (0.27 0.73 0.21) = 9.435% kept HA1 GLY 30 - QD1 LEU 43 14.286% * 8.2445% (0.19 0.89 0.02) = 8.245% kept HA ILE 48 - QD1 LEU 43 14.286% * 6.4230% (0.26 0.52 0.02) = 6.423% kept HA VAL 80 - QD1 LEU 43 14.286% * 0.7144% (0.74 0.02 0.02) = 0.714% Peak 3831 (2.59, -0.11, 21.88 ppm): 5 chemical-shift based assignments, quality = 0.819, support = 1.15, residual support = 4.32: HB2 PHE 34 - QD1 LEU 43 20.000% * 57.9273% (0.84 1.43 7.35) = 57.927% kept HA1 GLY 58 - QD1 LEU 43 20.000% * 33.2404% (0.96 0.73 0.18) = 33.240% kept HE2 LYS+ 20 - QD1 LEU 43 20.000% * 7.7432% (0.17 0.95 0.02) = 7.743% kept HB3 ASP- 36 - QD1 LEU 43 20.000% * 0.9047% (0.94 0.02 0.02) = 0.905% HB2 ASP- 25 - QD1 LEU 43 20.000% * 0.1843% (0.19 0.02 0.02) = 0.184% 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): 13 chemical-shift based assignments, quality = 0.919, support = 2.69, residual support = 7.76: HN VAL 94 - QG2 VAL 94 7.692% * 62.0508% (0.95 3.67 12.16) = 62.051% kept HN VAL 105 - QG2 VAL 94 7.692% * 24.4422% (0.95 1.45 0.82) = 24.442% kept HN GLU- 45 - QG2 VAL 94 7.692% * 8.9405% (0.85 0.59 0.16) = 8.940% kept HN ALA 11 - QG2 VAL 94 7.692% * 1.8183% (0.90 0.11 0.02) = 1.818% kept HN ALA 33 - QG2 VAL 94 7.692% * 1.6551% (0.26 0.35 0.02) = 1.655% kept HN SER 49 - QG2 VAL 94 7.692% * 0.2186% (0.62 0.02 0.02) = 0.219% HN GLY 58 - QG2 VAL 94 7.692% * 0.1645% (0.46 0.02 0.02) = 0.164% HN LYS+ 117 - QG2 VAL 94 7.692% * 0.1645% (0.46 0.02 0.02) = 0.164% HN MET 118 - QG2 VAL 94 7.692% * 0.1389% (0.39 0.02 0.02) = 0.139% HN LEU 67 - QG2 VAL 94 7.692% * 0.1268% (0.36 0.02 0.02) = 0.127% HN LYS+ 81 - QG2 VAL 94 7.692% * 0.1268% (0.36 0.02 0.02) = 0.127% HN GLU- 12 - QG2 VAL 94 7.692% * 0.0939% (0.26 0.02 0.02) = 0.094% HN ASN 119 - QG2 VAL 94 7.692% * 0.0592% (0.17 0.02 0.02) = 0.059% Peak 3834 (4.26, 0.70, 21.72 ppm): 38 chemical-shift based assignments, quality = 0.455, support = 1.51, residual support = 3.22: HA ASN 89 - QG2 VAL 94 2.632% * 40.1716% (0.59 2.02 6.57) = 40.172% kept HA VAL 73 - QG2 VAL 94 2.632% * 26.0928% (0.37 2.08 1.98) = 26.093% kept HA ARG+ 84 - QG2 VAL 94 2.632% * 10.1713% (0.53 0.57 0.02) = 10.171% kept HA SER 85 - QG2 VAL 94 2.632% * 10.1102% (0.45 0.66 0.52) = 10.110% kept HA LYS+ 108 - QG2 VAL 94 2.632% * 4.4170% (0.43 0.31 0.14) = 4.417% kept HD3 PRO 59 - QD1 LEU 9 2.632% * 1.4174% (0.04 1.12 0.51) = 1.417% kept HA THR 106 - QG2 VAL 94 2.632% * 0.9759% (0.15 0.20 0.02) = 0.976% HA PRO 59 - QD1 LEU 9 2.632% * 0.8044% (0.03 0.72 0.51) = 0.804% HA GLU- 75 - QD1 LEU 9 2.632% * 0.6027% (0.05 0.33 0.02) = 0.603% HA GLU- 18 - QG2 VAL 94 2.632% * 0.4908% (0.09 0.16 0.02) = 0.491% HA GLU- 75 - QG2 VAL 94 2.632% * 0.4391% (0.65 0.02 0.02) = 0.439% HA GLU- 56 - QG2 VAL 94 2.632% * 0.4275% (0.64 0.02 0.02) = 0.428% HA2 GLY 114 - QG2 VAL 94 2.632% * 0.3973% (0.59 0.02 0.02) = 0.397% HA HIS+ 4 - QG2 VAL 94 2.632% * 0.3547% (0.53 0.02 0.02) = 0.355% HA VAL 73 - QD1 LEU 9 2.632% * 0.3450% (0.03 0.33 0.02) = 0.345% HA VAL 65 - QG2 VAL 94 2.632% * 0.3385% (0.50 0.02 0.02) = 0.339% HA VAL 65 - QD1 LEU 9 2.632% * 0.3359% (0.04 0.24 0.02) = 0.336% HA PRO 52 - QG2 VAL 94 2.632% * 0.3043% (0.45 0.02 0.02) = 0.304% HD3 PRO 59 - QG2 VAL 94 2.632% * 0.3043% (0.45 0.02 0.85) = 0.304% HA ALA 91 - QG2 VAL 94 2.632% * 0.2866% (0.43 0.02 0.02) = 0.287% HA PRO 59 - QG2 VAL 94 2.632% * 0.2687% (0.40 0.02 0.85) = 0.269% HA HIS+ 8 - QD1 LEU 9 2.632% * 0.2516% (0.02 0.49 2.22) = 0.252% HA GLU- 56 - QD1 LEU 9 2.632% * 0.1640% (0.05 0.09 0.02) = 0.164% HA HIS+ 8 - QG2 VAL 94 2.632% * 0.1232% (0.18 0.02 0.02) = 0.123% HA GLU- 54 - QG2 VAL 94 2.632% * 0.0877% (0.13 0.02 0.02) = 0.088% HA SER 49 - QG2 VAL 94 2.632% * 0.0684% (0.10 0.02 0.02) = 0.068% HA ASN 89 - QD1 LEU 9 2.632% * 0.0331% (0.05 0.02 0.02) = 0.033% HA2 GLY 114 - QD1 LEU 9 2.632% * 0.0330% (0.05 0.02 0.02) = 0.033% HA ARG+ 84 - QD1 LEU 9 2.632% * 0.0295% (0.04 0.02 0.02) = 0.029% HA HIS+ 4 - QD1 LEU 9 2.632% * 0.0295% (0.04 0.02 0.02) = 0.029% HA PRO 52 - QD1 LEU 9 2.632% * 0.0253% (0.04 0.02 0.02) = 0.025% HA SER 85 - QD1 LEU 9 2.632% * 0.0253% (0.04 0.02 0.02) = 0.025% HA LYS+ 108 - QD1 LEU 9 2.632% * 0.0238% (0.04 0.02 0.02) = 0.024% HA ALA 91 - QD1 LEU 9 2.632% * 0.0238% (0.04 0.02 0.02) = 0.024% HA THR 106 - QD1 LEU 9 2.632% * 0.0082% (0.01 0.02 0.02) = 0.008% HA GLU- 54 - QD1 LEU 9 2.632% * 0.0073% (0.01 0.02 0.02) = 0.007% HA SER 49 - QD1 LEU 9 2.632% * 0.0057% (0.01 0.02 0.02) = 0.006% HA GLU- 18 - QD1 LEU 9 2.632% * 0.0050% (0.01 0.02 0.02) = 0.005% Peak 3835 (4.80, 0.92, 21.14 ppm): 14 chemical-shift based assignments, quality = 0.187, support = 1.22, residual support = 1.27: HA ASN 89 - QG2 VAL 105 7.143% * 31.1524% (0.15 2.19 2.35) = 31.152% kept HA ASN 89 - QG2 VAL 87 7.143% * 22.2820% (0.14 1.63 2.34) = 22.282% kept HA ASP- 115 - QG2 VAL 87 7.143% * 10.4262% (0.13 0.81 0.15) = 10.426% kept HA MET 97 - QG2 VAL 105 7.143% * 9.1444% (0.28 0.34 0.02) = 9.144% kept HA MET 97 - QG2 VAL 87 7.143% * 8.5679% (0.27 0.33 0.02) = 8.568% kept HA GLU- 107 - QG2 VAL 105 7.143% * 6.1631% (0.51 0.12 0.02) = 6.163% kept HA PRO 116 - QG2 VAL 87 7.143% * 5.2278% (0.20 0.27 0.02) = 5.228% kept HA ASN 15 - QG2 VAL 87 7.143% * 3.6910% (0.18 0.21 0.02) = 3.691% kept HA GLU- 107 - QG2 VAL 87 7.143% * 0.9655% (0.49 0.02 0.02) = 0.965% HA LYS+ 113 - QG2 VAL 105 7.143% * 0.6791% (0.35 0.02 0.02) = 0.679% HA LYS+ 113 - QG2 VAL 87 7.143% * 0.6544% (0.34 0.02 0.02) = 0.654% HA PRO 116 - QG2 VAL 105 7.143% * 0.4092% (0.21 0.02 0.02) = 0.409% HA ASN 15 - QG2 VAL 105 7.143% * 0.3702% (0.19 0.02 0.02) = 0.370% HA ASP- 115 - QG2 VAL 105 7.143% * 0.2670% (0.14 0.02 0.02) = 0.267% Not enough quality. Peak unassigned. Peak 3836 (7.99, 1.42, 21.50 ppm): 4 chemical-shift based assignments, quality = 0.616, support = 1.55, residual support = 3.27: HN LEU 43 - QG2 THR 38 25.000% * 98.1377% (0.62 1.58 3.33) = 98.138% kept HN MET 126 - QG2 THR 38 25.000% * 1.0302% (0.52 0.02 0.02) = 1.030% kept HN LYS+ 111 - QG2 THR 38 25.000% * 0.4161% (0.21 0.02 0.02) = 0.416% HN SER 27 - QG2 THR 38 25.000% * 0.4161% (0.21 0.02 0.02) = 0.416% Peak 3837 (7.87, 1.42, 21.50 ppm): 4 chemical-shift based assignments, quality = 0.622, support = 3.17, residual support = 13.6: HN THR 38 - QG2 THR 38 25.000% * 91.2589% (0.65 3.43 14.85) = 91.259% kept HN LYS+ 44 - QG2 THR 38 25.000% * 7.8791% (0.35 0.54 0.50) = 7.879% kept HD22 ASN 89 - QG2 THR 38 25.000% * 0.4611% (0.56 0.02 0.02) = 0.461% HN LEU 90 - QG2 THR 38 25.000% * 0.4009% (0.49 0.02 0.02) = 0.401% Peak 3838 (7.73, 1.42, 21.50 ppm): 5 chemical-shift based assignments, quality = 0.571, support = 2.09, residual support = 2.47: HN ALA 42 - QG2 THR 38 20.000% * 79.4128% (0.67 2.25 1.84) = 79.413% kept HN ALA 37 - QG2 THR 38 20.000% * 15.7340% (0.17 1.79 6.43) = 15.734% kept HN VAL 13 - QG2 THR 38 20.000% * 4.4995% (0.23 0.37 0.02) = 4.499% kept HN VAL 125 - QG2 THR 38 20.000% * 0.1965% (0.19 0.02 0.02) = 0.196% HN SER 124 - QG2 THR 38 20.000% * 0.1573% (0.15 0.02 0.02) = 0.157% Peak 3839 (8.36, 1.32, 21.76 ppm): 5 chemical-shift based assignments, quality = 0.825, support = 2.55, residual support = 11.7: O HN ALA 103 - QB ALA 103 20.000% * 98.9297% (0.83 10.0 2.58 11.79) = 98.930% kept HN GLY 71 - QB ALA 103 20.000% * 0.8607% (0.81 1.0 0.18 0.02) = 0.861% HN LYS+ 108 - QB ALA 103 20.000% * 0.1037% (0.87 1.0 0.02 0.02) = 0.104% HN GLU- 109 - QB ALA 103 20.000% * 0.0799% (0.67 1.0 0.02 0.02) = 0.080% HN GLU- 50 - QB ALA 103 20.000% * 0.0261% (0.22 1.0 0.02 0.02) = 0.026% Peak 3840 (8.24, 1.32, 21.76 ppm): 14 chemical-shift based assignments, quality = 0.688, support = 0.752, residual support = 0.47: HN LYS+ 81 - QB ALA 103 7.143% * 25.7970% (0.88 0.75 0.79) = 25.797% kept HN GLY 58 - QB ALA 103 7.143% * 25.2862% (0.86 0.75 0.95) = 25.286% kept HN SER 49 - QB ALA 103 7.143% * 19.3631% (0.79 0.63 0.02) = 19.363% kept HN VAL 105 - QB ALA 103 7.143% * 13.5949% (0.30 1.16 0.14) = 13.595% kept HN GLU- 45 - QB ALA 103 7.143% * 6.7706% (0.15 1.12 0.02) = 6.771% kept HN MET 118 - QB ALA 103 7.143% * 3.5769% (0.88 0.10 0.02) = 3.577% kept HN GLN 16 - QB ALA 103 7.143% * 2.9380% (0.22 0.34 0.02) = 2.938% kept HN LEU 67 - QB ALA 103 7.143% * 0.6879% (0.88 0.02 0.02) = 0.688% HN GLU- 12 - QB ALA 103 7.143% * 0.6743% (0.86 0.02 0.02) = 0.674% HN THR 106 - QB ALA 103 7.143% * 0.4172% (0.53 0.02 0.02) = 0.417% HN ASP- 115 - QB ALA 103 7.143% * 0.3619% (0.46 0.02 0.02) = 0.362% HN VAL 94 - QB ALA 103 7.143% * 0.2582% (0.33 0.02 0.02) = 0.258% HN ALA 11 - QB ALA 103 7.143% * 0.1532% (0.20 0.02 0.02) = 0.153% HN HIS+ 7 - QB ALA 103 7.143% * 0.1205% (0.15 0.02 0.02) = 0.120% Peak 3841 (8.23, 1.11, 21.74 ppm): 48 chemical-shift based assignments, quality = 0.428, support = 0.734, residual support = 1.19: HN LYS+ 81 - QG2 THR 79 2.083% * 26.9993% (0.48 1.34 0.17) = 26.999% kept HN LYS+ 81 - QG2 THR 61 2.083% * 16.0979% (0.79 0.48 0.02) = 16.098% kept HN VAL 94 - QG2 THR 95 2.083% * 15.7316% (0.24 1.53 5.76) = 15.732% kept HN VAL 94 - QG2 THR 96 2.083% * 5.7753% (0.56 0.24 3.85) = 5.775% kept HN LYS+ 81 - QG2 THR 95 2.083% * 4.0864% (0.31 0.32 0.02) = 4.086% kept HN LEU 67 - QG2 THR 61 2.083% * 3.8253% (0.79 0.11 0.02) = 3.825% kept HN GLY 58 - QG2 THR 61 2.083% * 3.5227% (0.87 0.10 0.40) = 3.523% kept HN ASP- 115 - QG2 THR 96 2.083% * 2.4894% (0.20 0.29 0.02) = 2.489% kept HN VAL 105 - QG2 THR 95 2.083% * 2.0287% (0.23 0.21 0.02) = 2.029% kept HN GLU- 45 - QG2 THR 61 2.083% * 1.9988% (0.38 0.13 0.02) = 1.999% kept HN VAL 94 - QG2 THR 79 2.083% * 1.5918% (0.38 0.10 0.02) = 1.592% kept HN GLU- 45 - QG2 THR 79 2.083% * 1.4514% (0.23 0.15 0.02) = 1.451% kept HN SER 49 - QG2 THR 61 2.083% * 0.7679% (0.91 0.02 0.02) = 0.768% HN MET 118 - QG2 THR 61 2.083% * 0.6902% (0.82 0.02 0.02) = 0.690% HN SER 49 - QG2 THR 96 2.083% * 0.6873% (0.82 0.02 0.02) = 0.687% HN GLY 58 - QG2 THR 96 2.083% * 0.6516% (0.77 0.02 0.02) = 0.652% HN GLU- 45 - QG2 THR 95 2.083% * 0.6448% (0.15 0.11 0.02) = 0.645% HN MET 118 - QG2 THR 96 2.083% * 0.6177% (0.73 0.02 0.02) = 0.618% HN LYS+ 81 - QG2 THR 96 2.083% * 0.5975% (0.71 0.02 0.02) = 0.597% HN LEU 67 - QG2 THR 96 2.083% * 0.5975% (0.71 0.02 0.02) = 0.597% HN GLU- 12 - QG2 THR 61 2.083% * 0.5882% (0.70 0.02 0.02) = 0.588% HN THR 106 - QG2 THR 79 2.083% * 0.5590% (0.17 0.08 0.02) = 0.559% HN VAL 94 - QG2 THR 61 2.083% * 0.5286% (0.63 0.02 0.02) = 0.529% HN GLU- 12 - QG2 THR 96 2.083% * 0.5264% (0.63 0.02 0.02) = 0.526% HN VAL 105 - QG2 THR 61 2.083% * 0.4979% (0.59 0.02 0.02) = 0.498% HN SER 49 - QG2 THR 79 2.083% * 0.4634% (0.55 0.02 0.02) = 0.463% HN VAL 105 - QG2 THR 96 2.083% * 0.4456% (0.53 0.02 0.02) = 0.446% HN GLY 58 - QG2 THR 79 2.083% * 0.4394% (0.52 0.02 0.02) = 0.439% HN MET 118 - QG2 THR 79 2.083% * 0.4165% (0.50 0.02 0.02) = 0.417% HN LEU 67 - QG2 THR 79 2.083% * 0.4029% (0.48 0.02 0.02) = 0.403% HN ALA 11 - QG2 THR 61 2.083% * 0.3746% (0.45 0.02 0.02) = 0.375% HN GLU- 12 - QG2 THR 79 2.083% * 0.3550% (0.42 0.02 0.02) = 0.355% HN ALA 11 - QG2 THR 96 2.083% * 0.3353% (0.40 0.02 0.02) = 0.335% HN VAL 105 - QG2 THR 79 2.083% * 0.3005% (0.36 0.02 0.02) = 0.300% HN SER 49 - QG2 THR 95 2.083% * 0.2978% (0.35 0.02 0.02) = 0.298% HN GLU- 45 - QG2 THR 96 2.083% * 0.2832% (0.34 0.02 0.02) = 0.283% HN GLY 58 - QG2 THR 95 2.083% * 0.2823% (0.34 0.02 0.02) = 0.282% HN MET 118 - QG2 THR 95 2.083% * 0.2677% (0.32 0.02 0.02) = 0.268% HN LEU 67 - QG2 THR 95 2.083% * 0.2589% (0.31 0.02 0.02) = 0.259% HN THR 106 - QG2 THR 61 2.083% * 0.2375% (0.28 0.02 0.02) = 0.238% HN GLU- 12 - QG2 THR 95 2.083% * 0.2281% (0.27 0.02 0.02) = 0.228% HN ALA 11 - QG2 THR 79 2.083% * 0.2261% (0.27 0.02 0.02) = 0.226% HN THR 106 - QG2 THR 96 2.083% * 0.2126% (0.25 0.02 0.02) = 0.213% HN ASP- 115 - QG2 THR 61 2.083% * 0.1919% (0.23 0.02 0.02) = 0.192% HN ALA 11 - QG2 THR 95 2.083% * 0.1453% (0.17 0.02 0.02) = 0.145% HN ASP- 115 - QG2 THR 79 2.083% * 0.1158% (0.14 0.02 0.02) = 0.116% HN THR 106 - QG2 THR 95 2.083% * 0.0921% (0.11 0.02 0.02) = 0.092% HN ASP- 115 - QG2 THR 95 2.083% * 0.0744% (0.09 0.02 0.35) = 0.074% Peak 3842 (7.83, 1.11, 21.74 ppm): 12 chemical-shift based assignments, quality = 0.876, support = 2.16, residual support = 2.25: HN LYS+ 63 - QG2 THR 61 8.333% * 83.7878% (0.91 2.51 2.68) = 83.788% kept HN LYS+ 63 - QG2 THR 96 8.333% * 13.0661% (0.82 0.44 0.02) = 13.066% kept HN LYS+ 63 - QG2 THR 95 8.333% * 1.2981% (0.35 0.10 0.02) = 1.298% kept HN LYS+ 63 - QG2 THR 79 8.333% * 0.4027% (0.55 0.02 0.02) = 0.403% HN LYS+ 55 - QG2 THR 61 8.333% * 0.3518% (0.48 0.02 0.02) = 0.352% HN LYS+ 55 - QG2 THR 96 8.333% * 0.3149% (0.43 0.02 0.02) = 0.315% HN LYS+ 55 - QG2 THR 79 8.333% * 0.2123% (0.29 0.02 0.02) = 0.212% HN ALA 93 - QG2 THR 61 8.333% * 0.1489% (0.20 0.02 0.02) = 0.149% HN LYS+ 55 - QG2 THR 95 8.333% * 0.1365% (0.19 0.02 0.02) = 0.136% HN ALA 93 - QG2 THR 96 8.333% * 0.1333% (0.18 0.02 0.02) = 0.133% HN ALA 93 - QG2 THR 79 8.333% * 0.0899% (0.12 0.02 0.02) = 0.090% HN ALA 93 - QG2 THR 95 8.333% * 0.0577% (0.08 0.02 0.02) = 0.058% 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 = 1.03, residual support = 3.33: T QD1 LEU 43 - QG2 THR 38 100.000% *100.0000% (0.71 10.00 1.03 3.33) = 100.000% kept Peak 3846 (2.23, 1.32, 21.79 ppm): 14 chemical-shift based assignments, quality = 0.615, support = 0.517, residual support = 0.247: HG3 GLU- 18 - QB ALA 103 7.143% * 15.2812% (0.82 0.45 0.49) = 15.281% kept HA1 GLY 58 - QB ALA 103 7.143% * 14.9965% (0.33 1.10 0.95) = 14.997% kept HB2 GLU- 50 - QB ALA 103 7.143% * 13.3190% (0.77 0.42 0.02) = 13.319% kept HG3 MET 126 - QB ALA 103 7.143% * 12.8617% (0.61 0.51 0.02) = 12.862% kept HB3 PRO 52 - QB ALA 103 7.143% * 12.0432% (0.88 0.33 0.02) = 12.043% kept HG2 GLU- 56 - QB ALA 103 7.143% * 8.7872% (0.54 0.40 0.21) = 8.787% kept HG3 MET 118 - QB ALA 103 7.143% * 8.5424% (0.88 0.24 0.02) = 8.542% kept HG3 GLU- 54 - QB ALA 103 7.143% * 6.1097% (0.30 0.49 0.02) = 6.110% kept HB VAL 80 - QB ALA 103 7.143% * 5.5622% (0.22 0.61 0.02) = 5.562% kept HG3 GLU- 107 - QB ALA 103 7.143% * 0.6534% (0.79 0.02 0.02) = 0.653% HG3 GLU- 75 - QB ALA 103 7.143% * 0.6534% (0.79 0.02 0.02) = 0.653% HG3 GLU- 109 - QB ALA 103 7.143% * 0.5568% (0.68 0.02 0.02) = 0.557% HG3 GLU- 10 - QB ALA 103 7.143% * 0.4713% (0.57 0.02 0.02) = 0.471% HB2 LYS+ 113 - QB ALA 103 7.143% * 0.1622% (0.20 0.02 0.02) = 0.162% Peak 3847 (1.67, 1.08, 21.47 ppm): 21 chemical-shift based assignments, quality = 0.0877, support = 0.82, residual support = 0.56: T HB3 MET 97 - QG2 THR 95 4.762% * 71.4538% (0.11 10.00 0.81 0.16) = 71.454% kept T HB3 MET 97 - QG2 THR 96 4.762% * 25.1327% (0.03 10.00 0.95 1.76) = 25.133% kept T HB3 MET 97 - QG2 THR 61 4.762% * 1.0716% (0.07 10.00 0.02 0.02) = 1.072% kept HB3 MET 126 - QG2 THR 95 4.762% * 0.2839% (0.18 1.00 0.02 0.02) = 0.284% HG3 ARG+ 84 - QG2 THR 95 4.762% * 0.2419% (0.15 1.00 0.02 0.02) = 0.242% HB2 HIS+ 8 - QG2 THR 95 4.762% * 0.2419% (0.15 1.00 0.02 0.02) = 0.242% HB3 MET 126 - QG2 THR 61 4.762% * 0.1732% (0.11 1.00 0.02 0.02) = 0.173% HD3 LYS+ 55 - QG2 THR 95 4.762% * 0.1524% (0.10 1.00 0.02 0.02) = 0.152% HB VAL 99 - QG2 THR 95 4.762% * 0.1524% (0.10 1.00 0.02 0.02) = 0.152% HB3 ARG+ 22 - QG2 THR 95 4.762% * 0.1524% (0.10 1.00 0.02 0.02) = 0.152% HB2 HIS+ 8 - QG2 THR 61 4.762% * 0.1476% (0.09 1.00 0.02 0.02) = 0.148% HG3 ARG+ 84 - QG2 THR 61 4.762% * 0.1476% (0.09 1.00 0.02 0.02) = 0.148% HB VAL 99 - QG2 THR 61 4.762% * 0.0930% (0.06 1.00 0.02 0.02) = 0.093% HD3 LYS+ 55 - QG2 THR 61 4.762% * 0.0930% (0.06 1.00 0.02 0.02) = 0.093% HB3 ARG+ 22 - QG2 THR 61 4.762% * 0.0930% (0.06 1.00 0.02 0.02) = 0.093% HB3 MET 126 - QG2 THR 96 4.762% * 0.0857% (0.05 1.00 0.02 0.02) = 0.086% HG3 ARG+ 84 - QG2 THR 96 4.762% * 0.0730% (0.05 1.00 0.02 0.02) = 0.073% HB2 HIS+ 8 - QG2 THR 96 4.762% * 0.0730% (0.05 1.00 0.02 0.02) = 0.073% HD3 LYS+ 55 - QG2 THR 96 4.762% * 0.0460% (0.03 1.00 0.02 0.02) = 0.046% HB VAL 99 - QG2 THR 96 4.762% * 0.0460% (0.03 1.00 0.02 0.02) = 0.046% HB3 ARG+ 22 - QG2 THR 96 4.762% * 0.0460% (0.03 1.00 0.02 0.02) = 0.046% Not enough quality. Peak unassigned. Peak 3848 (1.83, 0.82, 21.38 ppm): 10 chemical-shift based assignments, quality = 0.437, support = 1.71, residual support = 5.1: T HB3 LYS+ 72 - QG1 VAL 94 10.000% * 60.9666% (0.34 10.00 1.98 7.12) = 60.967% kept HB2 PRO 59 - QG1 VAL 94 10.000% * 10.3904% (0.76 1.00 1.51 0.85) = 10.390% kept HB VAL 73 - QG1 VAL 94 10.000% * 8.1483% (0.63 1.00 1.42 1.98) = 8.148% kept HB3 PRO 59 - QG1 VAL 94 10.000% * 7.2684% (0.72 1.00 1.12 0.85) = 7.268% kept HD3 LYS+ 72 - QG1 VAL 94 10.000% * 5.5124% (0.40 1.00 1.52 7.12) = 5.512% kept HB2 PRO 104 - QG1 VAL 94 10.000% * 4.2180% (0.31 1.00 1.49 1.22) = 4.218% kept HD3 LYS+ 117 - QG1 VAL 94 10.000% * 1.2306% (0.55 1.00 0.25 0.02) = 1.231% kept HB2 LYS+ 66 - QG1 VAL 94 10.000% * 1.1018% (0.63 1.00 0.19 0.02) = 1.102% kept HG3 PRO 112 - QG1 VAL 94 10.000% * 0.8183% (0.72 1.00 0.13 0.02) = 0.818% HB2 GLU- 109 - QG1 VAL 94 10.000% * 0.3451% (0.31 1.00 0.12 0.02) = 0.345% Peak 3849 (1.99, 0.82, 21.38 ppm): 11 chemical-shift based assignments, quality = 0.396, support = 1.03, residual support = 0.776: T HB VAL 105 - QG1 VAL 94 9.091% * 80.6210% (0.40 10.00 1.10 0.82) = 80.621% kept HG3 PRO 104 - QG1 VAL 94 9.091% * 8.3848% (0.37 1.00 1.24 1.22) = 8.385% kept HB2 LYS+ 108 - QG1 VAL 94 9.091% * 4.0660% (0.72 1.00 0.31 0.14) = 4.066% kept HG2 PRO 116 - QG1 VAL 94 9.091% * 2.1769% (0.19 1.00 0.63 0.12) = 2.177% kept HB2 HIS+ 14 - QG1 VAL 94 9.091% * 2.0806% (0.43 1.00 0.26 0.02) = 2.081% kept HB3 PRO 112 - QG1 VAL 94 9.091% * 1.2349% (0.17 1.00 0.40 0.02) = 1.235% kept HB2 PRO 112 - QG1 VAL 94 9.091% * 0.9714% (0.13 1.00 0.40 0.02) = 0.971% HG2 PRO 86 - QG1 VAL 94 9.091% * 0.1804% (0.49 1.00 0.02 0.02) = 0.180% HB2 GLU- 18 - QG1 VAL 94 9.091% * 0.1250% (0.34 1.00 0.02 0.02) = 0.125% HG2 GLU- 64 - QG1 VAL 94 9.091% * 0.1047% (0.28 1.00 0.02 0.02) = 0.105% HB3 GLU- 75 - QG1 VAL 94 9.091% * 0.0543% (0.15 1.00 0.02 0.02) = 0.054% Peak 3850 (4.01, 0.82, 21.38 ppm): 8 chemical-shift based assignments, quality = 0.663, support = 1.65, residual support = 4.59: HA ASN 89 - QG1 VAL 94 12.500% * 61.9586% (0.75 2.28 6.57) = 61.959% kept HA LYS+ 44 - QG1 VAL 94 12.500% * 14.8052% (0.74 0.55 0.02) = 14.805% kept HB3 HIS+ 5 - QG1 VAL 94 12.500% * 11.2550% (0.55 0.57 0.15) = 11.255% kept HB THR 95 - QG1 VAL 94 12.500% * 8.6815% (0.23 1.03 5.76) = 8.681% kept HA1 GLY 92 - QG1 VAL 94 12.500% * 1.9979% (0.23 0.24 0.02) = 1.998% kept HB3 SER 77 - QG1 VAL 94 12.500% * 0.4675% (0.65 0.02 0.02) = 0.468% HB THR 38 - QG1 VAL 94 12.500% * 0.4172% (0.58 0.02 0.02) = 0.417% HB THR 39 - QG1 VAL 94 12.500% * 0.4172% (0.58 0.02 0.02) = 0.417% Peak 3851 (3.89, 0.92, 21.03 ppm): 24 chemical-shift based assignments, quality = 0.351, support = 1.47, residual support = 7.38: O HA VAL 87 - QG2 VAL 87 4.167% * 24.0778% (0.20 10.0 1.00 1.94 14.98) = 24.078% kept T HA LYS+ 44 - QG2 VAL 87 4.167% * 21.0485% (0.53 1.0 10.00 0.63 0.32) = 21.048% kept T HB3 SER 88 - QG2 VAL 87 4.167% * 17.6933% (0.14 1.0 10.00 2.36 15.95) = 17.693% kept T HA ILE 48 - QG2 VAL 105 4.167% * 8.6642% (0.21 1.0 10.00 0.66 0.02) = 8.664% kept HA ASN 89 - QG2 VAL 105 4.167% * 7.7867% (0.56 1.0 1.00 2.19 2.35) = 7.787% kept HA ASN 89 - QG2 VAL 87 4.167% * 6.7707% (0.66 1.0 1.00 1.63 2.34) = 6.771% kept HD2 PRO 86 - QG2 VAL 87 4.167% * 6.3674% (0.67 1.0 1.00 1.51 8.41) = 6.367% kept HD2 PRO 116 - QG2 VAL 87 4.167% * 2.6911% (0.64 1.0 1.00 0.67 0.02) = 2.691% kept HD2 PRO 116 - QG2 VAL 105 4.167% * 0.8633% (0.54 1.0 1.00 0.25 0.02) = 0.863% T HA VAL 125 - QG2 VAL 87 4.167% * 0.7468% (0.59 1.0 10.00 0.02 0.02) = 0.747% T HA VAL 125 - QG2 VAL 105 4.167% * 0.6375% (0.51 1.0 10.00 0.02 0.02) = 0.637% T HA LYS+ 44 - QG2 VAL 105 4.167% * 0.5740% (0.46 1.0 10.00 0.02 0.02) = 0.574% T HB2 SER 77 - QG2 VAL 87 4.167% * 0.3676% (0.29 1.0 10.00 0.02 0.02) = 0.368% T HB2 SER 77 - QG2 VAL 105 4.167% * 0.3138% (0.25 1.0 10.00 0.02 0.02) = 0.314% T HA ILE 48 - QG2 VAL 87 4.167% * 0.3080% (0.24 1.0 10.00 0.02 0.02) = 0.308% T HB3 SER 77 - QG2 VAL 87 4.167% * 0.2699% (0.21 1.0 10.00 0.02 0.02) = 0.270% T HB3 SER 77 - QG2 VAL 105 4.167% * 0.2304% (0.18 1.0 10.00 0.02 0.02) = 0.230% T HB3 SER 88 - QG2 VAL 105 4.167% * 0.1510% (0.12 1.0 10.00 0.02 0.02) = 0.151% HA THR 96 - QG2 VAL 105 4.167% * 0.1400% (0.21 1.0 1.00 0.11 0.02) = 0.140% HA VAL 87 - QG2 VAL 105 4.167% * 0.1017% (0.17 1.0 1.00 0.10 0.02) = 0.102% HD2 PRO 86 - QG2 VAL 105 4.167% * 0.0722% (0.57 1.0 1.00 0.02 0.02) = 0.072% HB2 SER 85 - QG2 VAL 87 4.167% * 0.0506% (0.40 1.0 1.00 0.02 0.02) = 0.051% HB2 SER 85 - QG2 VAL 105 4.167% * 0.0432% (0.34 1.0 1.00 0.02 0.02) = 0.043% HA THR 96 - QG2 VAL 87 4.167% * 0.0305% (0.24 1.0 1.00 0.02 0.02) = 0.030% Peak 3852 (1.86, 0.68, 21.81 ppm): 9 chemical-shift based assignments, quality = 0.728, support = 2.19, residual support = 4.29: HB3 LYS+ 72 - QG2 VAL 94 11.111% * 54.5424% (0.81 3.05 7.12) = 54.542% kept HB2 PRO 104 - QG2 VAL 94 11.111% * 27.3955% (0.83 1.50 1.22) = 27.395% kept HB3 ARG+ 84 - QG2 VAL 94 11.111% * 6.2053% (0.33 0.85 0.02) = 6.205% kept HB3 PRO 59 - QG2 VAL 94 11.111% * 5.3683% (0.36 0.67 0.85) = 5.368% kept HB2 LYS+ 66 - QG2 VAL 94 11.111% * 3.2958% (0.49 0.30 0.02) = 3.296% kept HB2 PRO 59 - QG2 VAL 94 11.111% * 2.8246% (0.22 0.58 0.85) = 2.825% kept HG3 PRO 112 - QG2 VAL 94 11.111% * 0.1593% (0.36 0.02 0.02) = 0.159% HG3 LYS+ 120 - QG2 VAL 94 11.111% * 0.1321% (0.30 0.02 0.02) = 0.132% HB2 GLU- 10 - QG2 VAL 94 11.111% * 0.0767% (0.17 0.02 0.02) = 0.077% Peak 3853 (1.36, 0.68, 21.81 ppm): 11 chemical-shift based assignments, quality = 0.637, support = 1.89, residual support = 3.36: HG3 LYS+ 20 - QG2 VAL 94 9.091% * 25.8532% (0.70 2.39 5.49) = 25.853% kept HB3 LYS+ 20 - QG2 VAL 94 9.091% * 21.8093% (0.56 2.50 5.49) = 21.809% kept HG13 ILE 19 - QG2 VAL 94 9.091% * 15.2576% (0.86 1.15 0.16) = 15.258% kept HB2 LYS+ 20 - QG2 VAL 94 9.091% * 12.7091% (0.30 2.76 5.49) = 12.709% kept QB ALA 91 - QG2 VAL 94 9.091% * 12.5788% (0.86 0.95 0.02) = 12.579% kept HG LEU 74 - QG2 VAL 94 9.091% * 7.2217% (0.48 0.98 0.26) = 7.222% kept HG2 LYS+ 78 - QG2 VAL 94 9.091% * 1.8616% (0.53 0.23 0.02) = 1.862% kept HG3 ARG+ 22 - QG2 VAL 94 9.091% * 1.5067% (0.87 0.11 0.02) = 1.507% kept QG2 THR 39 - QG2 VAL 94 9.091% * 0.9681% (0.36 0.17 0.02) = 0.968% HB2 LEU 17 - QG2 VAL 94 9.091% * 0.1419% (0.46 0.02 0.02) = 0.142% QB ALA 11 - QG2 VAL 94 9.091% * 0.0920% (0.30 0.02 0.02) = 0.092% Peak 3854 (1.98, 0.68, 21.81 ppm): 12 chemical-shift based assignments, quality = 0.628, support = 0.914, residual support = 0.633: HB2 LYS+ 108 - QG2 VAL 94 8.333% * 37.7047% (0.87 0.83 0.14) = 37.705% kept HG3 PRO 104 - QG2 VAL 94 8.333% * 36.3608% (0.63 1.10 1.22) = 36.361% kept HB VAL 105 - QG2 VAL 94 8.333% * 16.1342% (0.27 1.14 0.82) = 16.134% kept HG2 PRO 86 - QG2 VAL 94 8.333% * 4.8221% (0.36 0.26 0.02) = 4.822% kept HB3 GLU- 109 - QG2 VAL 94 8.333% * 1.9706% (0.22 0.17 0.02) = 1.971% kept HB2 GLU- 18 - QG2 VAL 94 8.333% * 1.8644% (0.22 0.16 0.02) = 1.864% kept HB2 HIS+ 14 - QG2 VAL 94 8.333% * 0.3116% (0.30 0.02 0.02) = 0.312% HB VAL 122 - QG2 VAL 94 8.333% * 0.2034% (0.19 0.02 0.02) = 0.203% HG2 GLU- 64 - QG2 VAL 94 8.333% * 0.1808% (0.17 0.02 0.02) = 0.181% HB VAL 13 - QG2 VAL 94 8.333% * 0.1600% (0.15 0.02 0.02) = 0.160% HB3 GLU- 75 - QG2 VAL 94 8.333% * 0.1465% (0.14 0.02 0.02) = 0.147% HG3 PRO 116 - QG2 VAL 94 8.333% * 0.1409% (0.13 0.02 0.12) = 0.141% 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): 14 chemical-shift based assignments, quality = 0.604, support = 1.33, residual support = 1.05: HN SER 41 - QD1 LEU 9 7.143% * 41.8885% (0.43 2.37 2.16) = 41.889% kept HN ALA 33 - QD1 LEU 9 7.143% * 20.7976% (0.67 0.75 0.57) = 20.798% kept HN LYS+ 120 - QD1 LEU 9 7.143% * 19.4074% (0.86 0.55 0.13) = 19.407% kept HN ASN 119 - QD1 LEU 9 7.143% * 14.3002% (0.79 0.44 0.02) = 14.300% kept HN GLU- 45 - QD1 LEU 9 7.143% * 2.5483% (0.15 0.40 0.02) = 2.548% kept HN LYS+ 117 - QD1 LEU 9 7.143% * 0.3818% (0.46 0.02 0.02) = 0.382% HN ALA 33 - QG2 VAL 94 7.143% * 0.3491% (0.02 0.35 0.02) = 0.349% HN GLU- 45 - QG2 VAL 94 7.143% * 0.1340% (0.01 0.59 0.16) = 0.134% HN ALA 11 - QD1 LEU 9 7.143% * 0.0982% (0.12 0.02 0.02) = 0.098% HN LYS+ 120 - QG2 VAL 94 7.143% * 0.0254% (0.03 0.02 0.02) = 0.025% HN ASN 119 - QG2 VAL 94 7.143% * 0.0233% (0.03 0.02 0.02) = 0.023% HN ALA 11 - QG2 VAL 94 7.143% * 0.0200% (0.00 0.11 0.02) = 0.020% HN LYS+ 117 - QG2 VAL 94 7.143% * 0.0136% (0.02 0.02 0.02) = 0.014% HN SER 41 - QG2 VAL 94 7.143% * 0.0126% (0.02 0.02 0.02) = 0.013% Peak 3857 (8.73, 0.73, 22.10 ppm): 8 chemical-shift based assignments, quality = 0.485, support = 1.53, residual support = 2.41: HN VAL 40 - QD1 LEU 9 12.500% * 61.1573% (0.39 2.24 3.78) = 61.157% kept HN GLU- 56 - QD1 LEU 9 12.500% * 20.8853% (0.74 0.41 0.02) = 20.885% kept HN ILE 101 - QD1 LEU 9 12.500% * 11.6829% (0.71 0.24 0.02) = 11.683% kept HN VAL 62 - QD1 LEU 9 12.500% * 6.1779% (0.12 0.75 1.52) = 6.178% kept HN GLU- 56 - QG2 VAL 94 12.500% * 0.0363% (0.03 0.02 0.02) = 0.036% HN ILE 101 - QG2 VAL 94 12.500% * 0.0348% (0.03 0.02 0.02) = 0.035% HN VAL 40 - QG2 VAL 94 12.500% * 0.0195% (0.01 0.02 0.02) = 0.020% HN VAL 62 - QG2 VAL 94 12.500% * 0.0059% (0.00 0.02 0.02) = 0.006% Peak 3858 (4.27, 0.68, 21.70 ppm): 16 chemical-shift based assignments, quality = 0.738, support = 1.49, residual support = 3.05: HA ASN 89 - QG2 VAL 94 6.250% * 37.1664% (0.85 2.02 6.57) = 37.166% kept HA VAL 73 - QG2 VAL 94 6.250% * 26.7072% (0.59 2.08 1.98) = 26.707% kept HA SER 85 - QG2 VAL 94 6.250% * 13.2697% (0.92 0.66 0.52) = 13.270% kept HA ARG+ 84 - QG2 VAL 94 6.250% * 11.8403% (0.95 0.57 0.02) = 11.840% kept HA LEU 90 - QG2 VAL 94 6.250% * 4.1025% (0.36 0.53 0.02) = 4.103% kept HA THR 106 - QG2 VAL 94 6.250% * 2.1544% (0.50 0.20 0.02) = 2.154% kept HA LYS+ 108 - QG2 VAL 94 6.250% * 1.9687% (0.29 0.31 0.14) = 1.969% kept HA VAL 65 - QG2 VAL 94 6.250% * 0.4102% (0.94 0.02 0.02) = 0.410% HA PRO 52 - QG2 VAL 94 6.250% * 0.3994% (0.92 0.02 0.02) = 0.399% HD3 PRO 59 - QG2 VAL 94 6.250% * 0.3994% (0.92 0.02 0.85) = 0.399% HA ALA 91 - QG2 VAL 94 6.250% * 0.3915% (0.90 0.02 0.02) = 0.391% HA GLU- 75 - QG2 VAL 94 6.250% * 0.3711% (0.85 0.02 0.02) = 0.371% HA GLU- 56 - QG2 VAL 94 6.250% * 0.2843% (0.65 0.02 0.02) = 0.284% HA2 GLY 114 - QG2 VAL 94 6.250% * 0.2343% (0.54 0.02 0.02) = 0.234% HA HIS+ 4 - QG2 VAL 94 6.250% * 0.1855% (0.43 0.02 0.02) = 0.186% HA PRO 59 - QG2 VAL 94 6.250% * 0.1151% (0.26 0.02 0.85) = 0.115% 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): 7 chemical-shift based assignments, quality = 0.586, support = 0.879, residual support = 0.613: HN LYS+ 117 - QG2 THR 39 14.286% * 49.2830% (0.60 1.03 0.68) = 49.283% kept HN SER 41 - QG2 THR 39 14.286% * 33.9538% (0.41 1.05 0.81) = 33.954% kept HN LYS+ 120 - QG2 THR 39 14.286% * 8.9429% (0.94 0.12 0.02) = 8.943% kept HN ASN 119 - QG2 THR 39 14.286% * 5.8765% (0.94 0.08 0.02) = 5.877% kept HN ALA 33 - QG2 THR 39 14.286% * 1.3167% (0.83 0.02 0.02) = 1.317% kept HN GLU- 45 - QG2 THR 39 14.286% * 0.3510% (0.22 0.02 0.02) = 0.351% HN ALA 11 - QG2 THR 39 14.286% * 0.2761% (0.17 0.02 0.02) = 0.276% Peak 3863 (8.08, -0.03, 22.30 ppm): 7 chemical-shift based assignments, quality = 0.304, support = 2.45, residual support = 4.46: HN CYS 121 - QD1 LEU 74 14.286% * 57.1872% (0.37 2.37 4.62) = 57.187% kept HN VAL 122 - QD1 LEU 74 14.286% * 40.0379% (0.22 2.73 4.52) = 40.038% kept HN HIS+ 5 - QD1 LEU 74 14.286% * 1.9671% (0.31 0.10 0.02) = 1.967% kept HN LYS+ 110 - QD1 LEU 74 14.286% * 0.4821% (0.37 0.02 0.58) = 0.482% HN ASN 15 - QD1 LEU 74 14.286% * 0.1343% (0.10 0.02 0.02) = 0.134% HN GLY 2 - QD1 LEU 74 14.286% * 0.0956% (0.07 0.02 0.02) = 0.096% HN HIS+ 3 - QD1 LEU 74 14.286% * 0.0956% (0.07 0.02 0.02) = 0.096% Peak 3864 (6.74, -0.03, 22.30 ppm): 2 chemical-shift based assignments, quality = 0.356, support = 2.12, residual support = 11.0: QE TYR 83 - QD1 LEU 74 50.000% * 99.1521% (0.36 2.14 11.09) = 99.152% kept HZ3 TRP 51 - QD1 LEU 74 50.000% * 0.8479% (0.33 0.02 0.02) = 0.848% 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): 4 chemical-shift based assignments, quality = 0.858, support = 0.708, residual support = 0.411: HA1 GLY 58 - QD1 LEU 9 25.000% * 81.5006% (0.92 0.82 0.48) = 81.501% kept HE2 LYS+ 120 - QD1 LEU 9 25.000% * 16.7563% (0.63 0.24 0.13) = 16.756% kept HB3 ASP- 82 - QD1 LEU 9 25.000% * 1.1281% (0.52 0.02 0.02) = 1.128% kept HB2 HIS+ 6 - QD1 LEU 9 25.000% * 0.6150% (0.28 0.02 0.02) = 0.615% Peak 3868 (3.92, 0.73, 22.13 ppm): 11 chemical-shift based assignments, quality = 0.847, support = 0.987, residual support = 0.925: T HB THR 96 - QD1 LEU 9 9.091% * 86.3586% (0.87 10.00 1.07 0.95) = 86.359% kept HA LEU 74 - QD1 LEU 9 9.091% * 5.5329% (0.82 1.00 0.72 1.30) = 5.533% kept HA THR 96 - QD1 LEU 9 9.091% * 3.5656% (0.77 1.00 0.50 0.95) = 3.566% kept HB3 CYS 121 - QD1 LEU 9 9.091% * 1.7529% (0.73 1.00 0.26 0.02) = 1.753% kept T HA LYS+ 44 - QD1 LEU 9 9.091% * 1.4945% (0.80 10.00 0.02 0.02) = 1.495% kept HA VAL 122 - QD1 LEU 9 9.091% * 0.4549% (0.63 1.00 0.08 0.02) = 0.455% T HA ILE 48 - QD1 LEU 9 9.091% * 0.4116% (0.22 10.00 0.02 0.02) = 0.412% HA ASN 89 - QD1 LEU 9 9.091% * 0.1625% (0.87 1.00 0.02 0.02) = 0.162% HB2 SER 77 - QD1 LEU 9 9.091% * 0.1303% (0.70 1.00 0.02 0.02) = 0.130% HB3 SER 77 - QD1 LEU 9 9.091% * 0.1025% (0.55 1.00 0.02 0.02) = 0.103% HA1 GLY 114 - QD1 LEU 9 9.091% * 0.0337% (0.18 1.00 0.02 0.02) = 0.034% Peak 3869 (1.15, 0.73, 22.13 ppm): 8 chemical-shift based assignments, quality = 0.669, support = 0.656, residual support = 0.781: HG3 PRO 59 - QD1 LEU 9 12.500% * 39.1701% (0.80 0.89 0.51) = 39.170% kept HG LEU 74 - QD1 LEU 9 12.500% * 25.7234% (0.91 0.51 1.30) = 25.723% kept HB2 LEU 74 - QD1 LEU 9 12.500% * 15.2835% (0.38 0.73 1.30) = 15.283% kept QB ALA 33 - QD1 LEU 9 12.500% * 8.5844% (0.34 0.45 0.57) = 8.584% kept HG3 LYS+ 32 - QD1 LEU 9 12.500% * 5.8492% (0.34 0.31 0.02) = 5.849% kept HB3 LYS+ 66 - QD1 LEU 9 12.500% * 4.5694% (0.34 0.24 0.02) = 4.569% kept QG2 THR 106 - QD1 LEU 9 12.500% * 0.5365% (0.48 0.02 0.02) = 0.536% HD3 LYS+ 111 - QD1 LEU 9 12.500% * 0.2835% (0.25 0.02 0.02) = 0.284% Peak 3870 (0.72, 0.73, 22.13 ppm): 1 diagonal assignment: QD1 LEU 9 - QD1 LEU 9 (0.63) kept Peak 3871 (2.15, 0.89, 22.12 ppm): 18 chemical-shift based assignments, quality = 0.613, support = 3.11, residual support = 35.7: O T HB VAL 47 - QG1 VAL 47 5.556% * 76.4970% (0.74 10.0 10.00 3.09 36.12) = 76.497% kept O T HB VAL 47 - QG2 VAL 47 5.556% * 22.2914% (0.22 10.0 10.00 3.35 36.12) = 22.291% kept HB3 GLU- 75 - QG1 VAL 47 5.556% * 0.6163% (0.62 1.0 1.00 0.19 0.02) = 0.616% HA1 GLY 58 - QG1 VAL 47 5.556% * 0.1208% (0.23 1.0 1.00 0.10 0.02) = 0.121% HB3 LYS+ 78 - QG1 VAL 47 5.556% * 0.0947% (0.91 1.0 1.00 0.02 0.02) = 0.095% HG3 GLN 102 - QG1 VAL 47 5.556% * 0.0904% (0.87 1.0 1.00 0.02 0.48) = 0.090% HB2 ASP- 28 - QG1 VAL 47 5.556% * 0.0765% (0.74 1.0 1.00 0.02 0.02) = 0.076% HG2 PRO 104 - QG1 VAL 47 5.556% * 0.0465% (0.45 1.0 1.00 0.02 0.02) = 0.047% HB3 LYS+ 78 - QG2 VAL 47 5.556% * 0.0276% (0.27 1.0 1.00 0.02 0.02) = 0.028% HG3 GLN 16 - QG1 VAL 47 5.556% * 0.0266% (0.26 1.0 1.00 0.02 0.02) = 0.027% HG3 GLN 102 - QG2 VAL 47 5.556% * 0.0263% (0.25 1.0 1.00 0.02 0.48) = 0.026% HB2 ASP- 28 - QG2 VAL 47 5.556% * 0.0223% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB3 GLU- 75 - QG2 VAL 47 5.556% * 0.0188% (0.18 1.0 1.00 0.02 0.02) = 0.019% HG2 PRO 104 - QG2 VAL 47 5.556% * 0.0136% (0.13 1.0 1.00 0.02 0.02) = 0.014% HG2 GLN 102 - QG1 VAL 47 5.556% * 0.0129% (0.12 1.0 1.00 0.02 0.48) = 0.013% HG3 GLN 16 - QG2 VAL 47 5.556% * 0.0077% (0.07 1.0 1.00 0.02 0.02) = 0.008% HA1 GLY 58 - QG2 VAL 47 5.556% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HG2 GLN 102 - QG2 VAL 47 5.556% * 0.0038% (0.04 1.0 1.00 0.02 0.48) = 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 = 0.255, support = 0.109, residual support = 0.02: HB3 LYS+ 55 - QG2 VAL 62 4.545% * 33.3811% (0.29 1.00 0.24 0.02) = 33.381% kept HG3 PRO 104 - QG1 VAL 47 4.545% * 10.0803% (0.15 1.00 0.14 0.02) = 10.080% kept T HB ILE 29 - QG2 VAL 62 4.545% * 6.6410% (0.07 10.00 0.02 0.02) = 6.641% kept HB ILE 29 - QG1 VAL 47 4.545% * 3.5727% (0.08 1.00 0.09 0.02) = 3.573% kept HG3 PRO 116 - QG1 VAL 47 4.545% * 3.4379% (0.36 1.00 0.02 0.02) = 3.438% kept HB VAL 13 - QG1 VAL 47 4.545% * 3.3848% (0.36 1.00 0.02 0.02) = 3.385% kept HG3 PRO 31 - QG1 VAL 47 4.545% * 3.3178% (0.35 1.00 0.02 0.02) = 3.318% kept HB VAL 122 - QG1 VAL 47 4.545% * 3.2377% (0.34 1.00 0.02 0.02) = 3.238% kept HB3 LYS+ 55 - QG1 VAL 47 4.545% * 3.2377% (0.34 1.00 0.02 0.02) = 3.238% kept HB3 GLU- 109 - QG1 VAL 47 4.545% * 3.1455% (0.33 1.00 0.02 0.02) = 3.145% kept HG3 PRO 116 - QG2 VAL 62 4.545% * 2.9238% (0.31 1.00 0.02 0.02) = 2.924% kept HB VAL 13 - QG2 VAL 62 4.545% * 2.8787% (0.30 1.00 0.02 0.02) = 2.879% kept HG3 PRO 31 - QG2 VAL 62 4.545% * 2.8217% (0.30 1.00 0.02 0.02) = 2.822% kept HB VAL 122 - QG2 VAL 62 4.545% * 2.7536% (0.29 1.00 0.02 0.02) = 2.754% kept HB2 GLU- 75 - QG1 VAL 47 4.545% * 2.6804% (0.28 1.00 0.02 0.02) = 2.680% kept HB3 GLU- 109 - QG2 VAL 62 4.545% * 2.6752% (0.28 1.00 0.02 0.02) = 2.675% kept HB2 GLU- 75 - QG2 VAL 62 4.545% * 2.2796% (0.24 1.00 0.02 0.02) = 2.280% kept HG2 PRO 112 - QG1 VAL 47 4.545% * 1.8453% (0.19 1.00 0.02 0.02) = 1.845% kept HB2 PRO 116 - QG1 VAL 47 4.545% * 1.5724% (0.17 1.00 0.02 0.02) = 1.572% kept HG2 PRO 112 - QG2 VAL 62 4.545% * 1.5694% (0.17 1.00 0.02 0.02) = 1.569% kept HB2 PRO 116 - QG2 VAL 62 4.545% * 1.3373% (0.14 1.00 0.02 0.02) = 1.337% kept HG3 PRO 104 - QG2 VAL 62 4.545% * 1.2263% (0.13 1.00 0.02 0.02) = 1.226% kept Not enough support, support cutoff is 0.22 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): 13 chemical-shift based assignments, quality = 0.104, support = 1.15, residual support = 5.72: HB THR 61 - QG2 VAL 62 7.692% * 47.7426% (0.11 1.74 11.80) = 47.743% kept HA HIS+ 3 - QG2 VAL 62 7.692% * 24.7099% (0.11 0.88 0.35) = 24.710% kept HA ASN 89 - QG2 VAL 62 7.692% * 9.8771% (0.10 0.41 0.02) = 9.877% kept HA VAL 73 - QG2 VAL 62 7.692% * 8.8578% (0.12 0.30 0.02) = 8.858% kept HB3 HIS+ 4 - QG2 VAL 62 7.692% * 6.2862% (0.05 0.51 0.02) = 6.286% kept HA VAL 94 - QG2 VAL 62 7.692% * 0.5155% (0.10 0.02 0.02) = 0.516% HA1 GLY 26 - QG2 VAL 62 7.692% * 0.5155% (0.10 0.02 0.02) = 0.516% HA MET 1 - QG2 VAL 62 7.692% * 0.4542% (0.09 0.02 0.02) = 0.454% HA LYS+ 117 - QG2 VAL 62 7.692% * 0.3845% (0.08 0.02 0.02) = 0.384% HA2 GLY 26 - QG2 VAL 62 7.692% * 0.3127% (0.06 0.02 0.02) = 0.313% HA THR 38 - QG2 VAL 62 7.692% * 0.1482% (0.03 0.02 0.02) = 0.148% HA LYS+ 60 - QG2 VAL 62 7.692% * 0.1041% (0.02 0.02 0.13) = 0.104% HA PRO 112 - QG2 VAL 62 7.692% * 0.0917% (0.02 0.02 0.02) = 0.092% Peak 3877 (7.07, 0.95, 22.14 ppm): 2 chemical-shift based assignments, quality = 0.153, support = 0.0776, residual support = 0.02: HE21 GLN 16 - QG2 VAL 62 50.000% * 78.2941% (0.14 0.09 0.02) = 78.294% kept QD TYR 83 - QG2 VAL 62 50.000% * 21.7059% (0.19 0.02 0.02) = 21.706% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 3878 (6.87, 1.32, 21.79 ppm): 4 chemical-shift based assignments, quality = 0.551, support = 0.893, residual support = 1.66: HZ PHE 21 - QB ALA 103 25.000% * 38.6799% (0.40 1.34 2.13) = 38.680% kept QD PHE 21 - QB ALA 103 25.000% * 38.6012% (0.71 0.75 2.13) = 38.601% kept HD22 ASN 15 - QB ALA 103 25.000% * 12.8489% (0.33 0.53 0.11) = 12.849% kept HD21 ASN 119 - QB ALA 103 25.000% * 9.8700% (0.83 0.16 0.02) = 9.870% kept Peak 3879 (3.18, 1.42, 21.49 ppm): 5 chemical-shift based assignments, quality = 0.543, support = 1.21, residual support = 2.95: HB3 PHE 34 - QG2 THR 38 20.000% * 79.0746% (0.62 1.38 3.71) = 79.075% kept HD3 PRO 35 - QG2 THR 38 20.000% * 15.3221% (0.24 0.70 0.12) = 15.322% kept HA1 GLY 58 - QG2 THR 38 20.000% * 4.0421% (0.14 0.31 0.02) = 4.042% kept HD3 ARG+ 84 - QG2 THR 38 20.000% * 1.2765% (0.69 0.02 0.02) = 1.276% kept HD2 ARG+ 53 - QG2 THR 38 20.000% * 0.2848% (0.15 0.02 0.02) = 0.285% 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): 1 diagonal assignment: HA VAL 73 - HA VAL 73 (0.06) kept Peak 3883 (4.18, 4.18, 62.74 ppm): 1 diagonal assignment: HA VAL 73 - HA VAL 73 (0.02) kept Peak 3884 (1.98, 4.38, 63.05 ppm): 12 chemical-shift based assignments, quality = 0.429, support = 1.12, residual support = 2.09: HG3 PRO 104 - HA VAL 73 8.333% * 36.7926% (0.56 1.00 1.64 4.67) = 36.793% kept HB2 LYS+ 108 - HA VAL 73 8.333% * 18.4106% (0.77 1.00 0.60 0.50) = 18.411% kept T HB3 GLU- 75 - HA VAL 73 8.333% * 18.2191% (0.12 10.00 0.37 0.02) = 18.219% kept HB VAL 105 - HA VAL 73 8.333% * 17.1396% (0.24 1.00 1.80 1.61) = 17.140% kept HB2 GLU- 18 - HA VAL 73 8.333% * 4.2407% (0.19 1.00 0.55 0.02) = 4.241% kept HB3 GLU- 109 - HA VAL 73 8.333% * 2.3733% (0.19 1.00 0.31 0.02) = 2.373% kept T HB2 HIS+ 14 - HA VAL 73 8.333% * 2.1070% (0.26 10.00 0.02 0.02) = 2.107% kept HG2 PRO 86 - HA VAL 73 8.333% * 0.2539% (0.32 1.00 0.02 0.02) = 0.254% HB VAL 122 - HA VAL 73 8.333% * 0.1375% (0.17 1.00 0.02 0.02) = 0.138% HG2 GLU- 64 - HA VAL 73 8.333% * 0.1222% (0.15 1.00 0.02 0.02) = 0.122% HB VAL 13 - HA VAL 73 8.333% * 0.1082% (0.14 1.00 0.02 0.02) = 0.108% HG3 PRO 116 - HA VAL 73 8.333% * 0.0953% (0.12 1.00 0.02 0.02) = 0.095% Peak 3885 (1.84, 4.38, 63.05 ppm): 10 chemical-shift based assignments, quality = 0.503, support = 2.23, residual support = 8.27: T HB3 LYS+ 72 - HA VAL 73 10.000% * 30.9222% (0.50 1.0 10.00 2.02 9.25) = 30.922% kept O T HB VAL 73 - HA VAL 73 10.000% * 30.9222% (0.50 10.0 10.00 2.61 12.59) = 30.922% kept T HB2 PRO 104 - HA VAL 73 10.000% * 28.9923% (0.47 1.0 10.00 2.54 4.67) = 28.992% kept T HB2 LYS+ 66 - HA VAL 73 10.000% * 7.2562% (0.74 1.0 10.00 0.31 0.02) = 7.256% kept HD3 LYS+ 72 - HA VAL 73 10.000% * 1.7293% (0.26 1.0 1.00 2.12 9.25) = 1.729% kept HG3 PRO 112 - HA VAL 73 10.000% * 0.0478% (0.77 1.0 1.00 0.02 0.02) = 0.048% HB3 PRO 59 - HA VAL 73 10.000% * 0.0478% (0.77 1.0 1.00 0.02 0.02) = 0.048% HB2 PRO 59 - HA VAL 73 10.000% * 0.0452% (0.73 1.0 1.00 0.02 0.02) = 0.045% HD3 LYS+ 117 - HA VAL 73 10.000% * 0.0251% (0.41 1.0 1.00 0.02 0.02) = 0.025% HB2 GLU- 109 - HA VAL 73 10.000% * 0.0119% (0.19 1.0 1.00 0.02 0.02) = 0.012% 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 : 183 without assignment possibility : 622 with one assignment possibility : 33 with multiple assignment possibilities : 1059 with given assignment possibilities : 0 with unique volume contribution : 126 with multiple volume contributions : 966 eliminated by violation filter : 0 Peaks: selected : 1897 without assignment : 824 with assignment : 1073 with unique assignment : 246 with multiple assignment : 827 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 : 1073 Atoms with eliminated volume contribution > 2.5: HB2 HIS+ 8 6.9 HA ALA 11 3.0 QD2 LEU 23 3.0 QB ALA 33 3.0 HA LYS+ 44 6.0 HA1 GLY 58 15.6 QG2 VAL 62 5.2 HN LYS+ 66 3.4 HB3 SER 69 5.0 HA VAL 73 5.8 HG LEU 74 14.7 QD1 LEU 74 4.0 HB3 ASP- 82 3.0 HB2 SER 88 4.0 HB3 SER 88 3.0 HA ASN 89 17.1 QD1 ILE 100 3.0 QG2 ILE 101 7.2 QD1 ILE 101 6.9 HB2 PRO 104 3.0 HG3 LYS+ 108 7.8 HB2 PRO 116 2.8 HG3 MET 118 2.9 QG2 VAL 125 3.0 HB3 MET 126 4.4 HG3 MET 126 3.1 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): 9 chemical-shift based assignments, quality = 0.543, support = 1.0, residual support = 1.89: T HA VAL 80 - QD TYR 83 11.111% * 81.8802% (0.55 10.00 0.99 2.13) = 81.880% kept HA ASN 89 - QD TYR 83 11.111% * 9.4952% (0.36 1.00 1.75 1.51) = 9.495% kept HB THR 79 - QD TYR 83 11.111% * 3.7544% (0.89 1.00 0.28 0.02) = 3.754% kept HB2 SER 69 - QD TYR 83 11.111% * 2.9489% (0.86 1.00 0.23 0.02) = 2.949% kept HA ILE 48 - QD TYR 83 11.111% * 1.3293% (0.18 1.00 0.48 0.02) = 1.329% kept HA VAL 62 - QD TYR 83 11.111% * 0.2850% (0.95 1.00 0.02 0.02) = 0.285% HA THR 39 - QD TYR 83 11.111% * 0.2112% (0.70 1.00 0.02 0.02) = 0.211% HA1 GLY 71 - QD TYR 83 11.111% * 0.0509% (0.17 1.00 0.02 0.02) = 0.051% HD3 PRO 31 - QD TYR 83 11.111% * 0.0449% (0.15 1.00 0.02 0.02) = 0.045% Peak 259 (7.68, 7.05, 133.65 ppm): 1 chemical-shift based assignment, quality = 0.717, support = 5.22, residual support = 54.0: * HN TYR 83 - QD TYR 83 100.000% *100.0000% (0.72 5.22 54.00) = 100.000% kept Peak 272 (4.67, 7.06, 133.71 ppm): 8 chemical-shift based assignments, quality = 0.798, support = 2.99, residual support = 38.3: * HA TYR 83 - QD TYR 83 12.500% * 70.4119% (0.93 3.82 54.00) = 70.412% kept HA ASN 89 - QD TYR 83 12.500% * 12.1098% (0.35 1.75 1.51) = 12.110% kept HA GLN 16 - QD TYR 83 12.500% * 7.5373% (0.56 0.67 0.58) = 7.537% kept HA ASN 119 - QD TYR 83 12.500% * 4.9902% (0.71 0.35 0.02) = 4.990% kept HA THR 61 - QD TYR 83 12.500% * 4.3455% (0.60 0.36 0.02) = 4.345% kept HA ASP- 36 - QD TYR 83 12.500% * 0.2531% (0.64 0.02 0.02) = 0.253% HA LYS+ 120 - QD TYR 83 12.500% * 0.2384% (0.60 0.02 0.02) = 0.238% HA LYS+ 20 - QD TYR 83 12.500% * 0.1137% (0.29 0.02 0.02) = 0.114% Peak 273 (3.35, 7.06, 133.69 ppm): 2 chemical-shift based assignments, quality = 0.821, support = 3.38, residual support = 52.6: O T HB3 TYR 83 - QD TYR 83 50.000% * 97.2508% (0.84 10.0 10.00 3.42 54.00) = 97.251% kept HA ASN 89 - QD TYR 83 50.000% * 2.7492% (0.27 1.0 1.00 1.75 1.51) = 2.749% 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 = 38.6: O T HB3 PHE 34 - QD PHE 34 16.667% * 84.9850% (0.86 10.0 10.00 3.83 45.31) = 84.985% kept HD3 PRO 35 - QD PHE 34 16.667% * 10.1087% (0.89 1.0 1.00 2.30 0.49) = 10.109% kept T HA1 GLY 58 - QD PHE 34 16.667% * 4.7282% (0.22 1.0 10.00 0.43 0.11) = 4.728% 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) = 0.055% 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 = 0.792, support = 2.84, residual support = 31.8: * O T HB2 PHE 34 - QD PHE 34 16.667% * 69.6261% (0.74 10.0 10.00 3.55 45.31) = 69.626% kept T HA1 GLY 58 - QD PHE 34 16.667% * 19.6350% (0.97 1.0 10.00 0.43 0.11) = 19.635% kept HE2 LYS+ 20 - QD PHE 34 16.667% * 10.3998% (0.81 1.0 1.00 2.73 2.44) = 10.400% kept HB3 ASP- 36 - QD PHE 34 16.667% * 0.2476% (0.65 1.0 1.00 0.08 0.02) = 0.248% HB2 ASP- 25 - QD PHE 34 16.667% * 0.0790% (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): 10 chemical-shift based assignments, quality = 0.755, support = 3.11, residual support = 20.5: T HB ILE 19 - QD PHE 34 10.000% * 52.1957% (0.96 10.00 3.89 25.55) = 52.196% kept T HB3 LYS+ 32 - QD PHE 34 10.000% * 29.8146% (0.55 10.00 2.78 18.96) = 29.815% kept T HD3 LYS+ 60 - QD PHE 34 10.000% * 8.6635% (0.92 10.00 0.35 0.02) = 8.664% kept T HD3 LYS+ 32 - QD PHE 34 10.000% * 8.1254% (0.15 10.00 2.78 18.96) = 8.125% kept HG3 LYS+ 60 - QD PHE 34 10.000% * 0.7796% (0.97 1.00 0.30 0.02) = 0.780% T HB3 LEU 90 - QD PHE 34 10.000% * 0.2981% (0.55 10.00 0.02 0.02) = 0.298% HG LEU 17 - QD PHE 34 10.000% * 0.0516% (0.95 1.00 0.02 1.67) = 0.052% HB3 LEU 9 - QD PHE 34 10.000% * 0.0298% (0.55 1.00 0.02 0.02) = 0.030% HG13 ILE 29 - QD PHE 34 10.000% * 0.0236% (0.43 1.00 0.02 0.02) = 0.024% QG2 THR 24 - QD PHE 34 10.000% * 0.0180% (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 = 0.923, support = 1.97, residual support = 3.31: T QG2 THR 38 - QD PHE 34 9.091% * 86.9641% (0.96 10.00 2.13 3.71) = 86.964% kept HD3 LYS+ 20 - QD PHE 34 9.091% * 3.2234% (0.45 1.00 1.60 2.44) = 3.223% kept QB ALA 42 - QD PHE 34 9.091% * 2.9826% (0.92 1.00 0.72 0.11) = 2.983% kept QB ALA 37 - QD PHE 34 9.091% * 2.5948% (0.96 1.00 0.60 0.02) = 2.595% kept HG LEU 74 - QD PHE 34 9.091% * 1.8149% (0.39 1.00 1.02 0.30) = 1.815% kept HD3 LYS+ 44 - QD PHE 34 9.091% * 1.7528% (0.89 1.00 0.43 0.02) = 1.753% kept HB3 LYS+ 60 - QD PHE 34 9.091% * 0.4560% (0.34 1.00 0.30 0.02) = 0.456% HG3 LYS+ 108 - QD PHE 34 9.091% * 0.0808% (0.89 1.00 0.02 0.02) = 0.081% HD3 LYS+ 113 - QD PHE 34 9.091% * 0.0547% (0.60 1.00 0.02 0.02) = 0.055% HG3 LYS+ 55 - QD PHE 34 9.091% * 0.0510% (0.56 1.00 0.02 0.02) = 0.051% HG LEU 90 - QD PHE 34 9.091% * 0.0251% (0.28 1.00 0.02 0.02) = 0.025% Peak 291 (0.69, 7.32, 133.42 ppm): 9 chemical-shift based assignments, quality = 0.959, support = 4.39, residual support = 24.0: QD1 ILE 19 - QD PHE 34 11.111% * 60.0533% (1.00 5.49 25.55) = 60.053% kept HG12 ILE 19 - QD PHE 34 11.111% * 33.6657% (0.98 3.14 25.55) = 33.666% kept HG2 PRO 59 - QD PHE 34 11.111% * 3.2510% (0.69 0.43 0.02) = 3.251% kept QG2 ILE 48 - QD PHE 34 11.111% * 2.2986% (0.28 0.76 0.56) = 2.299% kept QG2 VAL 94 - QD PHE 34 11.111% * 0.2167% (0.99 0.02 0.02) = 0.217% HG LEU 67 - QD PHE 34 11.111% * 0.1588% (0.73 0.02 0.02) = 0.159% HB2 LEU 9 - QD PHE 34 11.111% * 0.1502% (0.69 0.02 0.02) = 0.150% QG1 VAL 62 - QD PHE 34 11.111% * 0.1238% (0.57 0.02 0.02) = 0.124% QG2 ILE 101 - QD PHE 34 11.111% * 0.0821% (0.38 0.02 0.02) = 0.082% Peak 295 (8.92, 6.88, 131.84 ppm): 4 chemical-shift based assignments, quality = 0.301, support = 3.44, residual support = 15.6: * HN PHE 21 - QD PHE 21 25.000% * 61.3983% (0.31 3.88 22.60) = 61.398% kept HN ARG+ 22 - QD PHE 21 25.000% * 30.6780% (0.17 3.41 5.56) = 30.678% kept HN GLN 102 - QD PHE 21 25.000% * 7.6952% (0.79 0.19 0.02) = 7.695% kept HN THR 96 - QD PHE 21 25.000% * 0.2285% (0.22 0.02 0.02) = 0.228% Peak 297 (7.02, 6.88, 131.81 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 2.7, residual support = 22.6: O T QE PHE 21 - QD PHE 21 100.000% *100.0000% (0.44 10.0 10.00 2.70 22.60) = 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 = 2.11, residual support = 22.1: O HB2 PHE 21 - QD PHE 21 16.667% * 97.6365% (0.65 10.0 2.15 22.60) = 97.636% kept HA1 GLY 58 - QD PHE 21 16.667% * 2.2043% (0.53 1.0 0.55 0.02) = 2.204% kept HE3 LYS+ 113 - QD PHE 21 16.667% * 0.0533% (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) = 0.048% HB3 ASN 76 - QD PHE 21 16.667% * 0.0354% (0.23 1.0 0.02 0.02) = 0.035% HE3 LYS+ 55 - QD PHE 21 16.667% * 0.0219% (0.15 1.0 0.02 0.02) = 0.022% Peak 300 (2.76, 6.88, 131.84 ppm): 8 chemical-shift based assignments, quality = 0.543, support = 2.36, residual support = 16.1: O HB3 PHE 21 - QD PHE 21 12.500% * 68.1114% (0.45 10.0 1.00 3.03 22.60) = 68.111% kept T HB3 ASN 15 - QD PHE 21 12.500% * 16.5790% (0.76 1.0 10.00 0.29 0.57) = 16.579% kept HE3 LYS+ 20 - QD PHE 21 12.500% * 10.9055% (0.69 1.0 1.00 2.09 5.20) = 10.905% kept HA1 GLY 58 - QD PHE 21 12.500% * 3.8909% (0.93 1.0 1.00 0.55 0.02) = 3.891% kept T HB2 ASN 119 - QD PHE 21 12.500% * 0.3007% (0.20 1.0 10.00 0.02 0.02) = 0.301% HB2 HIS+ 5 - QD PHE 21 12.500% * 0.1402% (0.92 1.0 1.00 0.02 0.02) = 0.140% HB3 ASP- 115 - QD PHE 21 12.500% * 0.0422% (0.28 1.0 1.00 0.02 0.02) = 0.042% HB3 ASN 57 - QD PHE 21 12.500% * 0.0301% (0.20 1.0 1.00 0.02 0.02) = 0.030% Peak 301 (1.94, 6.89, 131.81 ppm): 15 chemical-shift based assignments, quality = 0.77, support = 4.09, residual support = 15.8: T HB ILE 29 - QD PHE 21 6.667% * 95.5736% (0.79 10.00 4.25 16.57) = 95.574% kept HB2 LEU 23 - QD PHE 21 6.667% * 2.6737% (0.52 1.00 0.85 0.02) = 2.674% kept HB3 LYS+ 55 - QD PHE 21 6.667% * 0.7914% (0.79 1.00 0.17 0.02) = 0.791% HB3 GLN 102 - QD PHE 21 6.667% * 0.1725% (0.15 1.00 0.19 0.02) = 0.172% HG2 PRO 112 - QD PHE 21 6.667% * 0.1191% (0.99 1.00 0.02 0.02) = 0.119% HB2 PRO 116 - QD PHE 21 6.667% * 0.1170% (0.97 1.00 0.02 0.02) = 0.117% HB2 GLU- 75 - QD PHE 21 6.667% * 0.1129% (0.93 1.00 0.02 0.02) = 0.113% HG3 PRO 31 - QD PHE 21 6.667% * 0.0912% (0.75 1.00 0.02 0.22) = 0.091% HB3 PRO 35 - QD PHE 21 6.667% * 0.0772% (0.64 1.00 0.02 0.02) = 0.077% HB3 GLU- 56 - QD PHE 21 6.667% * 0.0581% (0.48 1.00 0.02 0.02) = 0.058% HG3 PRO 116 - QD PHE 21 6.667% * 0.0535% (0.44 1.00 0.02 0.02) = 0.054% HB VAL 13 - QD PHE 21 6.667% * 0.0491% (0.41 1.00 0.02 0.02) = 0.049% HB VAL 122 - QD PHE 21 6.667% * 0.0407% (0.34 1.00 0.02 0.02) = 0.041% HB3 GLU- 109 - QD PHE 21 6.667% * 0.0368% (0.30 1.00 0.02 0.02) = 0.037% HD3 LYS+ 63 - QD PHE 21 6.667% * 0.0332% (0.27 1.00 0.02 0.02) = 0.033% Peak 302 (1.66, 6.88, 131.76 ppm): 7 chemical-shift based assignments, quality = 0.708, support = 1.55, residual support = 3.27: HB3 ARG+ 22 - QD PHE 21 14.286% * 56.1726% (0.64 2.36 5.56) = 56.173% kept HB3 MET 126 - QD PHE 21 14.286% * 21.4381% (0.83 0.69 0.46) = 21.438% kept HG3 ARG+ 84 - QD PHE 21 14.286% * 11.9701% (0.88 0.37 0.02) = 11.970% kept HB3 MET 97 - QD PHE 21 14.286% * 9.2447% (0.71 0.35 0.42) = 9.245% kept HB2 HIS+ 8 - QD PHE 21 14.286% * 0.6548% (0.88 0.02 0.02) = 0.655% HB VAL 99 - QD PHE 21 14.286% * 0.2598% (0.35 0.02 0.02) = 0.260% HD3 LYS+ 55 - QD PHE 21 14.286% * 0.2598% (0.35 0.02 0.02) = 0.260% Peak 303 (0.94, 6.88, 131.84 ppm): 10 chemical-shift based assignments, quality = 0.851, support = 1.98, residual support = 10.0: HG12 ILE 29 - QD PHE 21 10.000% * 28.5233% (0.97 2.21 16.57) = 28.523% kept HG LEU 74 - QD PHE 21 10.000% * 25.8253% (0.67 2.88 4.65) = 25.825% kept QG2 ILE 29 - QD PHE 21 10.000% * 22.9078% (0.90 1.91 16.57) = 22.908% kept HG12 ILE 68 - QD PHE 21 10.000% * 11.8865% (0.90 0.99 2.51) = 11.887% kept QD1 LEU 17 - QD PHE 21 10.000% * 7.8732% (0.95 0.62 0.02) = 7.873% kept QG2 VAL 62 - QD PHE 21 10.000% * 1.6356% (0.95 0.13 0.02) = 1.636% kept QG2 VAL 73 - QD PHE 21 10.000% * 0.7460% (0.45 0.12 0.02) = 0.746% QG1 VAL 105 - QD PHE 21 10.000% * 0.2580% (0.97 0.02 0.02) = 0.258% HG3 LYS+ 63 - QD PHE 21 10.000% * 0.2141% (0.80 0.02 0.02) = 0.214% QG2 VAL 99 - QD PHE 21 10.000% * 0.1301% (0.49 0.02 0.02) = 0.130% 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): 11 chemical-shift based assignments, quality = 0.698, support = 3.63, residual support = 19.4: T HB3 LYS+ 32 - QE PHE 34 9.091% * 40.9672% (0.90 10.00 4.53 18.96) = 40.967% kept T HB ILE 19 - QE PHE 34 9.091% * 29.7483% (0.65 10.00 3.55 25.55) = 29.748% kept T HD3 LYS+ 32 - QE PHE 34 9.091% * 21.0800% (0.46 10.00 3.24 18.96) = 21.080% kept T HD3 LYS+ 60 - QE PHE 34 9.091% * 6.9498% (0.54 10.00 0.57 0.02) = 6.950% kept HG3 LYS+ 60 - QE PHE 34 9.091% * 0.5373% (0.69 1.00 0.34 0.02) = 0.537% HG LEU 17 - QE PHE 34 9.091% * 0.3814% (0.62 1.00 0.27 1.67) = 0.381% HB3 LEU 17 - QE PHE 34 9.091% * 0.2213% (0.36 1.00 0.27 1.67) = 0.221% T HB3 LEU 90 - QE PHE 34 9.091% * 0.0857% (0.19 10.00 0.02 0.02) = 0.086% HG3 LYS+ 110 - QE PHE 34 9.091% * 0.0108% (0.24 1.00 0.02 0.02) = 0.011% HG2 LYS+ 110 - QE PHE 34 9.091% * 0.0096% (0.21 1.00 0.02 0.02) = 0.010% HB3 LEU 9 - QE PHE 34 9.091% * 0.0086% (0.19 1.00 0.02 0.02) = 0.009% Peak 314 (1.40, 7.35, 131.45 ppm): 11 chemical-shift based assignments, quality = 0.61, support = 1.56, residual support = 3.05: T QG2 THR 38 - QE PHE 34 9.091% * 65.8865% (0.62 10.00 1.39 3.71) = 65.887% kept HD3 LYS+ 20 - QE PHE 34 9.091% * 16.1941% (0.78 1.00 2.70 2.44) = 16.194% kept HB2 LYS+ 20 - QE PHE 34 9.091% * 5.2907% (0.39 1.00 1.75 2.44) = 5.291% kept QB ALA 42 - QE PHE 34 9.091% * 3.9653% (0.68 1.00 0.76 0.11) = 3.965% kept HB3 LYS+ 20 - QE PHE 34 9.091% * 2.8194% (0.18 1.00 2.04 2.44) = 2.819% kept QB ALA 37 - QE PHE 34 9.091% * 2.8016% (0.62 1.00 0.59 0.02) = 2.802% kept HG LEU 74 - QE PHE 34 9.091% * 1.7632% (0.35 1.00 0.65 0.30) = 1.763% kept HD3 LYS+ 44 - QE PHE 34 9.091% * 0.7288% (0.28 1.00 0.34 0.02) = 0.729% QG2 THR 39 - QE PHE 34 9.091% * 0.4770% (0.33 1.00 0.19 0.02) = 0.477% HG3 LYS+ 108 - QE PHE 34 9.091% * 0.0424% (0.28 1.00 0.02 0.02) = 0.042% HG2 LYS+ 78 - QE PHE 34 9.091% * 0.0310% (0.20 1.00 0.02 0.02) = 0.031% Peak 318 (0.69, 7.34, 131.43 ppm): 9 chemical-shift based assignments, quality = 0.848, support = 4.28, residual support = 24.2: QD1 ILE 19 - QE PHE 34 11.111% * 55.7647% (0.89 5.01 25.55) = 55.765% kept HG12 ILE 19 - QE PHE 34 11.111% * 39.0410% (0.83 3.77 25.55) = 39.041% kept HG2 PRO 59 - QE PHE 34 11.111% * 3.1737% (0.77 0.33 0.02) = 3.174% kept QG2 ILE 48 - QE PHE 34 11.111% * 1.1984% (0.38 0.25 0.56) = 1.198% kept QG2 VAL 94 - QE PHE 34 11.111% * 0.2130% (0.85 0.02 0.02) = 0.213% HG LEU 67 - QE PHE 34 11.111% * 0.2002% (0.80 0.02 0.02) = 0.200% HB2 LEU 9 - QE PHE 34 11.111% * 0.1928% (0.77 0.02 0.02) = 0.193% QG2 ILE 101 - QE PHE 34 11.111% * 0.1214% (0.49 0.02 0.02) = 0.121% QG1 VAL 62 - QE PHE 34 11.111% * 0.0949% (0.38 0.02 0.02) = 0.095% Peak 320 (7.34, 7.04, 130.49 ppm): 8 chemical-shift based assignments, quality = 0.584, support = 0.671, residual support = 0.326: HZ PHE 34 - QE PHE 21 12.500% * 46.5552% (0.71 0.87 0.37) = 46.555% kept QE PHE 34 - QE PHE 21 12.500% * 22.8243% (0.71 0.43 0.37) = 22.824% kept QD PHE 34 - QE PHE 21 12.500% * 18.0016% (0.32 0.75 0.37) = 18.002% kept HN ARG+ 84 - QE PHE 21 12.500% * 5.6819% (0.24 0.32 0.02) = 5.682% kept HE22 GLN 102 - QE PHE 21 12.500% * 5.1574% (0.26 0.26 0.02) = 5.157% kept HZ2 TRP 51 - QE PHE 21 12.500% * 1.0668% (0.71 0.02 0.02) = 1.067% kept HN VAL 47 - QE PHE 21 12.500% * 0.3942% (0.26 0.02 0.20) = 0.394% HE ARG+ 53 - QE PHE 21 12.500% * 0.3185% (0.21 0.02 0.02) = 0.318% 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): 15 chemical-shift based assignments, quality = 0.521, support = 1.22, residual support = 5.93: HG LEU 74 - QE PHE 21 6.667% * 43.3890% (0.62 2.03 4.65) = 43.389% kept HG12 ILE 29 - QE PHE 21 6.667% * 12.4612% (0.44 0.82 16.57) = 12.461% kept HG12 ILE 68 - QE PHE 21 6.667% * 9.7934% (0.33 0.84 2.51) = 9.793% kept QG2 ILE 29 - QE PHE 21 6.667% * 8.9950% (0.33 0.77 16.57) = 8.995% kept QD1 LEU 67 - QE PHE 21 6.667% * 8.4416% (0.37 0.66 0.02) = 8.442% kept QG2 VAL 73 - QE PHE 21 6.667% * 6.4435% (0.95 0.20 0.02) = 6.444% kept HG13 ILE 68 - QE PHE 21 6.667% * 4.2015% (0.44 0.28 2.51) = 4.202% kept QD1 LEU 17 - QE PHE 21 6.667% * 2.4295% (0.78 0.09 0.02) = 2.430% kept QG2 VAL 62 - QE PHE 21 6.667% * 1.8093% (0.40 0.13 0.02) = 1.809% kept QG2 VAL 99 - QE PHE 21 6.667% * 0.6671% (0.96 0.02 0.02) = 0.667% QG1 VAL 105 - QE PHE 21 6.667% * 0.5201% (0.75 0.02 0.02) = 0.520% QG2 VAL 87 - QE PHE 21 6.667% * 0.2798% (0.40 0.02 0.02) = 0.280% QG1 VAL 47 - QE PHE 21 6.667% * 0.2101% (0.30 0.02 0.20) = 0.210% QG2 VAL 105 - QE PHE 21 6.667% * 0.1892% (0.27 0.02 0.02) = 0.189% HG3 LYS+ 63 - QE PHE 21 6.667% * 0.1697% (0.24 0.02 0.02) = 0.170% Peak 323 (6.89, 7.04, 130.37 ppm): 3 chemical-shift based assignments, quality = 0.972, support = 2.67, residual support = 22.3: O QD PHE 21 - QE PHE 21 33.333% * 98.6944% (0.97 10.0 2.70 22.60) = 98.694% kept HD22 ASN 15 - QE PHE 21 33.333% * 1.2163% (0.82 1.0 0.29 0.57) = 1.216% kept HD21 ASN 119 - QE PHE 21 33.333% * 0.0893% (0.88 1.0 0.02 0.02) = 0.089% 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 = 0.76, support = 3.28, residual support = 19.1: T HB3 LYS+ 32 - HZ PHE 34 10.000% * 43.1376% (0.93 10.00 3.99 18.96) = 43.138% kept T HD3 LYS+ 32 - HZ PHE 34 10.000% * 37.3357% (0.81 10.00 3.34 18.96) = 37.336% kept T HB ILE 19 - HZ PHE 34 10.000% * 14.9869% (0.33 10.00 1.97 25.55) = 14.987% kept T HD3 LYS+ 60 - HZ PHE 34 10.000% * 3.5920% (0.24 10.00 0.64 0.02) = 3.592% kept HB3 LEU 17 - HZ PHE 34 10.000% * 0.5001% (0.70 1.00 0.31 1.67) = 0.500% HG LEU 17 - HZ PHE 34 10.000% * 0.2126% (0.30 1.00 0.31 1.67) = 0.213% HG3 LYS+ 110 - HZ PHE 34 10.000% * 0.1080% (0.55 1.00 0.09 0.02) = 0.108% HG2 LYS+ 110 - HZ PHE 34 10.000% * 0.1004% (0.51 1.00 0.09 0.02) = 0.100% HG3 LYS+ 60 - HZ PHE 34 10.000% * 0.0168% (0.36 1.00 0.02 0.02) = 0.017% HG3 LYS+ 78 - HZ PHE 34 10.000% * 0.0100% (0.21 1.00 0.02 0.02) = 0.010% Peak 333 (1.32, 7.33, 128.67 ppm): 7 chemical-shift based assignments, quality = 0.849, support = 0.868, residual support = 0.666: T QB ALA 103 - HZ PHE 34 14.286% * 92.6779% (0.88 10.00 0.89 0.65) = 92.678% kept HG LEU 74 - HZ PHE 34 14.286% * 4.6235% (0.63 1.00 0.63 0.30) = 4.624% kept HG3 LYS+ 20 - HZ PHE 34 14.286% * 1.1721% (0.15 1.00 0.68 2.44) = 1.172% kept HB2 LEU 17 - HZ PHE 34 14.286% * 1.0428% (0.33 1.00 0.27 1.67) = 1.043% kept QG2 THR 46 - HZ PHE 34 14.286% * 0.3211% (0.36 1.00 0.08 0.02) = 0.321% QB ALA 11 - HZ PHE 34 14.286% * 0.1182% (0.50 1.00 0.02 0.02) = 0.118% HB2 LYS+ 55 - HZ PHE 34 14.286% * 0.0444% (0.19 1.00 0.02 0.02) = 0.044% Peak 334 (9.49, 7.15, 128.31 ppm): 3 chemical-shift based assignments, quality = 0.864, support = 1.79, residual support = 50.1: * O HE1 TRP 51 - HD1 TRP 51 33.333% * 99.8506% (0.87 10.0 1.80 50.19) = 99.851% kept HN ALA 70 - HD1 TRP 51 33.333% * 0.1269% (0.99 1.0 0.02 0.02) = 0.127% HN HIS+ 98 - HD1 TRP 51 33.333% * 0.0224% (0.17 1.0 0.02 0.02) = 0.022% Peak 338 (7.16, 7.15, 128.32 ppm): 1 diagonal assignment: * HD1 TRP 51 - HD1 TRP 51 (0.95) kept Peak 341 (3.04, 7.15, 128.34 ppm): 3 chemical-shift based assignments, quality = 0.663, support = 2.3, residual support = 48.8: O HB2 TRP 51 - HD1 TRP 51 33.333% * 96.9893% (0.67 10.0 2.34 50.19) = 96.989% kept HA1 GLY 58 - HD1 TRP 51 33.333% * 2.9420% (0.41 1.0 0.99 3.79) = 2.942% kept HB3 HIS+ 8 - HD1 TRP 51 33.333% * 0.0687% (0.48 1.0 0.02 0.02) = 0.069% Peak 342 (1.79, 7.15, 128.34 ppm): 15 chemical-shift based assignments, quality = 0.768, support = 0.0628, residual support = 0.02: HB3 ARG+ 53 - HD1 TRP 51 6.667% * 34.4996% (0.68 0.14 0.02) = 34.500% kept HG2 PRO 31 - HD1 TRP 51 6.667% * 6.9621% (0.99 0.02 0.02) = 6.962% kept HB3 PRO 116 - HD1 TRP 51 6.667% * 6.9158% (0.98 0.02 0.02) = 6.916% kept HB3 LYS+ 63 - HD1 TRP 51 6.667% * 6.8394% (0.97 0.02 0.02) = 6.839% kept HB3 HIS+ 7 - HD1 TRP 51 6.667% * 6.2577% (0.89 0.02 0.02) = 6.258% kept HB2 LYS+ 117 - HD1 TRP 51 6.667% * 6.0525% (0.86 0.02 0.02) = 6.053% kept HB3 LYS+ 113 - HD1 TRP 51 6.667% * 6.0525% (0.86 0.02 0.02) = 6.053% kept HB3 LYS+ 108 - HD1 TRP 51 6.667% * 5.8281% (0.83 0.02 0.02) = 5.828% kept HB3 LYS+ 117 - HD1 TRP 51 6.667% * 5.5872% (0.80 0.02 0.02) = 5.587% kept HB3 LYS+ 44 - HD1 TRP 51 6.667% * 4.7929% (0.68 0.02 0.02) = 4.793% kept HB3 GLU- 18 - HD1 TRP 51 6.667% * 4.7929% (0.68 0.02 0.02) = 4.793% kept HB2 GLU- 109 - HD1 TRP 51 6.667% * 1.7399% (0.25 0.02 0.02) = 1.740% kept HB2 ARG+ 84 - HD1 TRP 51 6.667% * 1.3808% (0.20 0.02 0.02) = 1.381% kept HD3 LYS+ 72 - HD1 TRP 51 6.667% * 1.2220% (0.17 0.02 0.02) = 1.222% kept HB2 HIS+ 7 - HD1 TRP 51 6.667% * 1.0766% (0.15 0.02 0.02) = 1.077% kept Not enough support, support cutoff is 0.22 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 = 50.0: * O HZ2 TRP 51 - HH2 TRP 51 16.667% * 99.5403% (0.99 10.0 1.63 50.19) = 99.540% kept HZ PHE 34 - HH2 TRP 51 16.667% * 0.1224% (0.99 1.0 0.02 0.02) = 0.122% QE PHE 34 - HH2 TRP 51 16.667% * 0.1224% (0.99 1.0 0.02 0.02) = 0.122% QD PHE 34 - HH2 TRP 51 16.667% * 0.0799% (0.64 1.0 0.02 0.02) = 0.080% HN VAL 47 - HH2 TRP 51 16.667% * 0.0699% (0.56 1.0 0.02 2.88) = 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 = 50.2: * O HZ3 TRP 51 - HH2 TRP 51 50.000% * 99.9200% (0.99 10.0 2.16 50.19) = 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 = 0.817, support = 3.9, residual support = 20.0: T QD1 LEU 23 - HH2 TRP 51 50.000% * 90.2884% (0.88 10.00 4.24 22.08) = 90.288% kept T QD1 ILE 101 - HH2 TRP 51 50.000% * 9.7116% (0.26 10.00 0.71 0.90) = 9.712% 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 = 0.144, support = 3.14, residual support = 50.2: O HE3 TRP 51 - HH2 TRP 51 50.000% * 65.6144% (0.09 10.0 2.74 50.19) = 65.614% kept HE3 TRP 51 - HN TRP 51 50.000% * 34.3856% (0.25 1.0 3.90 50.19) = 34.386% 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): 3 chemical-shift based assignments, quality = 0.281, support = 0.343, residual support = 0.311: HE22 GLN 102 - HN VAL 47 33.333% * 63.5254% (0.31 0.40 0.48) = 63.525% kept HE ARG+ 53 - HN VAL 47 33.333% * 25.1559% (0.32 0.15 0.02) = 25.156% kept HN GLU- 64 - HN VAL 47 33.333% * 11.3187% (0.05 0.44 0.02) = 11.319% kept Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 362 (7.37, 7.28, 122.66 ppm): 3 chemical-shift based assignments, quality = 0.031, support = 0.346, residual support = 0.299: HE22 GLN 102 - HN VAL 47 33.333% * 60.9008% (0.03 0.40 0.48) = 60.901% kept HE ARG+ 53 - HN VAL 47 33.333% * 24.5492% (0.04 0.15 0.02) = 24.549% kept HN GLU- 64 - HN VAL 47 33.333% * 14.5500% (0.01 0.44 0.02) = 14.550% 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 = 2.44, residual support = 50.1: O HZ3 TRP 51 - HE3 TRP 51 50.000% * 99.7968% (0.36 10.0 2.45 50.19) = 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): 16 chemical-shift based assignments, quality = 0.75, support = 1.35, residual support = 2.6: QG1 VAL 47 - HE3 TRP 51 6.250% * 48.1352% (0.82 1.56 2.88) = 48.135% kept QG2 VAL 47 - HE3 TRP 51 6.250% * 42.1104% (0.78 1.42 2.88) = 42.110% kept QG2 VAL 87 - HE3 TRP 51 6.250% * 3.8189% (0.71 0.14 0.02) = 3.819% kept QG1 VAL 80 - HE3 TRP 51 6.250% * 0.7343% (0.97 0.02 0.02) = 0.734% QG1 VAL 122 - HE3 TRP 51 6.250% * 0.6839% (0.90 0.02 0.02) = 0.684% QG2 VAL 105 - HE3 TRP 51 6.250% * 0.6427% (0.85 0.02 0.02) = 0.643% QG2 VAL 73 - HE3 TRP 51 6.250% * 0.5750% (0.17 0.09 0.02) = 0.575% QG2 VAL 125 - HE3 TRP 51 6.250% * 0.5662% (0.75 0.02 0.02) = 0.566% QD1 LEU 67 - HE3 TRP 51 6.250% * 0.5662% (0.75 0.02 0.02) = 0.566% QG1 VAL 40 - HE3 TRP 51 6.250% * 0.5380% (0.71 0.02 0.02) = 0.538% HG13 ILE 68 - HE3 TRP 51 6.250% * 0.5089% (0.67 0.02 0.02) = 0.509% HG LEU 74 - HE3 TRP 51 6.250% * 0.3973% (0.52 0.02 0.02) = 0.397% QG2 VAL 122 - HE3 TRP 51 6.250% * 0.3322% (0.44 0.02 0.02) = 0.332% QG2 ILE 100 - HE3 TRP 51 6.250% * 0.1466% (0.19 0.02 0.51) = 0.147% QD1 LEU 90 - HE3 TRP 51 6.250% * 0.1298% (0.17 0.02 0.02) = 0.130% QG2 VAL 99 - HE3 TRP 51 6.250% * 0.1143% (0.15 0.02 0.02) = 0.114% 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): 11 chemical-shift based assignments, quality = 0.72, support = 1.0, residual support = 4.86: HG3 GLN 16 - QE TYR 83 9.091% * 24.4895% (0.96 1.04 0.58) = 24.490% kept HB2 ASP- 82 - QE TYR 83 9.091% * 23.8990% (0.86 1.13 17.58) = 23.899% kept HG2 GLN 16 - QE TYR 83 9.091% * 18.9206% (0.73 1.05 0.58) = 18.921% kept HB3 LYS+ 78 - QE TYR 83 9.091% * 11.4808% (0.33 1.42 3.00) = 11.481% kept HB3 PRO 104 - QE TYR 83 9.091% * 6.4297% (0.70 0.37 0.02) = 6.430% kept HA1 GLY 58 - QE TYR 83 9.091% * 6.1174% (0.27 0.93 0.92) = 6.117% kept HB3 GLU- 75 - QE TYR 83 9.091% * 6.1123% (0.41 0.61 0.02) = 6.112% kept HG2 PRO 104 - QE TYR 83 9.091% * 1.9356% (0.89 0.09 0.02) = 1.936% kept HG2 GLN 102 - QE TYR 83 9.091% * 0.4366% (0.89 0.02 0.02) = 0.437% HG2 MET 126 - QE TYR 83 9.091% * 0.1053% (0.21 0.02 0.02) = 0.105% HG3 GLN 102 - QE TYR 83 9.091% * 0.0730% (0.15 0.02 0.02) = 0.073% Peak 475 (7.06, 6.73, 118.61 ppm): 3 chemical-shift based assignments, quality = 0.863, support = 1.87, residual support = 52.2: * O QD TYR 83 - QE TYR 83 33.333% * 96.5750% (0.87 10.0 1.91 54.00) = 96.575% kept HE21 GLN 16 - QE TYR 83 33.333% * 3.3864% (0.77 1.0 0.75 0.58) = 3.386% kept QE PHE 21 - QE TYR 83 33.333% * 0.0386% (0.33 1.0 0.02 0.02) = 0.039% 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 = 0.835, support = 1.06, residual support = 2.81: T HB2 LYS+ 78 - QE TYR 83 33.333% * 91.6482% (0.85 10.00 1.10 3.00) = 91.648% kept HA1 GLY 58 - QE TYR 83 33.333% * 5.8088% (0.63 1.00 0.93 0.92) = 5.809% kept HB3 ASP- 28 - QE TYR 83 33.333% * 2.5430% (0.92 1.00 0.28 0.02) = 2.543% kept Peak 480 (0.90, 6.73, 118.58 ppm): 14 chemical-shift based assignments, quality = 0.739, support = 1.24, residual support = 3.11: HG LEU 74 - QE TYR 83 7.143% * 23.9139% (0.52 2.42 11.09) = 23.914% kept HG13 ILE 68 - QE TYR 83 7.143% * 18.0405% (0.87 1.10 1.42) = 18.040% kept QG1 VAL 47 - QE TYR 83 7.143% * 17.4846% (0.93 0.99 0.19) = 17.485% kept QD1 LEU 67 - QE TYR 83 7.143% * 16.0223% (0.91 0.93 0.88) = 16.022% kept QG1 VAL 122 - QE TYR 83 7.143% * 10.2390% (0.64 0.84 0.17) = 10.239% kept QG2 VAL 87 - QE TYR 83 7.143% * 4.0427% (0.89 0.24 0.02) = 4.043% kept QG2 VAL 73 - QE TYR 83 7.143% * 4.0335% (0.35 0.61 0.02) = 4.034% kept QG2 VAL 47 - QE TYR 83 7.143% * 3.7930% (0.49 0.41 0.19) = 3.793% kept QG2 VAL 105 - QE TYR 83 7.143% * 1.6013% (0.94 0.09 0.02) = 1.601% kept QG1 VAL 80 - QE TYR 83 7.143% * 0.2967% (0.78 0.02 2.13) = 0.297% QG2 VAL 125 - QE TYR 83 7.143% * 0.1729% (0.46 0.02 0.02) = 0.173% QG1 VAL 40 - QE TYR 83 7.143% * 0.1593% (0.42 0.02 0.02) = 0.159% QG2 VAL 99 - QE TYR 83 7.143% * 0.1212% (0.32 0.02 0.02) = 0.121% QG2 VAL 122 - QE TYR 83 7.143% * 0.0791% (0.21 0.02 0.17) = 0.079% 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 = 1.9, residual support = 50.2: * O HH2 TRP 51 - HZ2 TRP 51 25.000% * 84.2351% (0.96 10.0 1.63 50.19) = 84.235% kept HN TRP 51 - HZ2 TRP 51 25.000% * 15.7379% (0.87 1.0 3.38 50.19) = 15.738% kept HH2 TRP 51 - HN ILE 48 25.000% * 0.0142% (0.13 1.0 0.02 1.20) = 0.014% HN TRP 51 - HN ILE 48 25.000% * 0.0128% (0.12 1.0 0.02 1.20) = 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 = 45.2: * HA PHE 34 - QD PHE 34 50.000% * 99.7636% (0.52 2.81 45.31) = 99.764% kept HA ILE 68 - QD PHE 34 50.000% * 0.2364% (0.17 0.02 0.02) = 0.236% Peak 518 (7.04, 6.85, 129.44 ppm): 3 chemical-shift based assignments, quality = 0.969, support = 0.998, residual support = 22.5: * O QE PHE 21 - HZ PHE 21 33.333% * 99.7639% (0.97 10.0 1.00 22.60) = 99.764% kept HE21 GLN 16 - HZ PHE 21 33.333% * 0.1302% (0.63 1.0 0.02 0.02) = 0.130% QD TYR 83 - HZ PHE 21 33.333% * 0.1059% (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 = 1.9, residual support = 53.9: * O QE TYR 83 - QD TYR 83 50.000% * 99.8748% (0.81 10.0 1.91 54.00) = 99.875% kept HZ3 TRP 51 - QD TYR 83 50.000% * 0.1252% (0.97 1.0 0.02 0.02) = 0.125% Peak 522 (2.98, 7.08, 133.60 ppm): 6 chemical-shift based assignments, quality = 0.257, support = 0.826, residual support = 0.609: HA1 GLY 58 - QD TYR 83 16.667% * 62.0978% (0.21 1.16 0.92) = 62.098% kept HE3 LYS+ 55 - QD TYR 83 16.667% * 30.0622% (0.33 0.35 0.12) = 30.062% kept HE3 LYS+ 113 - QD TYR 83 16.667% * 2.0415% (0.39 0.02 0.02) = 2.042% kept HE2 LYS+ 117 - QD TYR 83 16.667% * 2.0280% (0.39 0.02 0.02) = 2.028% kept HB3 ASN 76 - QD TYR 83 16.667% * 1.9355% (0.37 0.02 0.02) = 1.936% kept HB2 PHE 21 - QD TYR 83 16.667% * 1.8350% (0.35 0.02 0.02) = 1.835% kept Peak 523 (3.86, 7.32, 133.43 ppm): 11 chemical-shift based assignments, quality = 0.489, support = 0.53, residual support = 0.483: T HA ILE 48 - QD PHE 34 9.091% * 85.0616% (0.46 10.00 0.60 0.56) = 85.062% kept HA LYS+ 44 - QD PHE 34 9.091% * 5.0376% (0.61 1.00 0.27 0.02) = 5.038% kept HA ASN 89 - QD PHE 34 9.091% * 2.7546% (0.89 1.00 0.10 0.02) = 2.755% kept HB3 SER 88 - QD PHE 34 9.091% * 2.6443% (0.97 1.00 0.09 0.02) = 2.644% kept HD3 PRO 86 - QD PHE 34 9.091% * 2.3400% (0.86 1.00 0.09 0.02) = 2.340% kept HD2 PRO 86 - QD PHE 34 9.091% * 0.6727% (0.25 1.00 0.09 0.02) = 0.673% HA VAL 87 - QD PHE 34 9.091% * 0.5659% (0.91 1.00 0.02 0.02) = 0.566% HB2 SER 85 - QD PHE 34 9.091% * 0.3966% (0.64 1.00 0.02 0.02) = 0.397% HA VAL 125 - QD PHE 34 9.091% * 0.2301% (0.37 1.00 0.02 0.02) = 0.230% HD2 PRO 116 - QD PHE 34 9.091% * 0.1892% (0.30 1.00 0.02 0.02) = 0.189% HA VAL 13 - QD PHE 34 9.091% * 0.1074% (0.17 1.00 0.02 0.02) = 0.107% Peak 524 (8.75, 7.32, 133.43 ppm): 4 chemical-shift based assignments, quality = 0.629, support = 4.58, residual support = 44.6: * HN PHE 34 - QD PHE 34 25.000% * 98.4767% (0.64 4.65 45.31) = 98.477% kept HN VAL 62 - QD PHE 34 25.000% * 0.5471% (0.82 0.02 0.02) = 0.547% HN ILE 101 - QD PHE 34 25.000% * 0.5006% (0.75 0.02 0.02) = 0.501% HN GLU- 56 - QD PHE 34 25.000% * 0.4756% (0.72 0.02 0.02) = 0.476% Peak 525 (3.69, 7.15, 128.34 ppm): 6 chemical-shift based assignments, quality = 0.83, support = 1.67, residual support = 4.24: HD2 PRO 52 - HD1 TRP 51 16.667% * 44.7903% (0.97 2.16 4.27) = 44.790% kept HA ASN 89 - HD1 TRP 51 16.667% * 24.0577% (0.69 1.63 4.28) = 24.058% kept HB2 HIS+ 4 - HD1 TRP 51 16.667% * 15.8435% (0.55 1.34 7.08) = 15.843% kept HA ILE 48 - HD1 TRP 51 16.667% * 14.6133% (0.98 0.70 1.20) = 14.613% kept HA LYS+ 81 - HD1 TRP 51 16.667% * 0.3754% (0.88 0.02 0.02) = 0.375% HA SER 27 - HD1 TRP 51 16.667% * 0.3199% (0.75 0.02 0.02) = 0.320% Peak 526 (9.50, 7.33, 114.77 ppm): 4 chemical-shift based assignments, quality = 0.978, support = 1.81, residual support = 50.1: * O HE1 TRP 51 - HZ2 TRP 51 25.000% * 99.8695% (0.98 10.0 1.81 50.19) = 99.870% kept HN ALA 70 - HZ2 TRP 51 25.000% * 0.1009% (0.90 1.0 0.02 0.02) = 0.101% HE1 TRP 51 - HN ILE 48 25.000% * 0.0154% (0.14 1.0 0.02 1.20) = 0.015% HN ALA 70 - HN ILE 48 25.000% * 0.0141% (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 = 0.552, support = 0.183, residual support = 0.726: HG3 PRO 31 - HZ2 TRP 51 5.000% * 36.8463% (0.53 0.27 0.02) = 36.846% kept HG3 PRO 104 - HZ2 TRP 51 5.000% * 17.2628% (0.87 0.08 0.02) = 17.263% kept HG3 PRO 104 - HN ILE 48 5.000% * 13.8947% (0.12 0.44 4.53) = 13.895% kept HB3 GLU- 109 - HZ2 TRP 51 5.000% * 4.9018% (0.94 0.02 0.02) = 4.902% kept HB VAL 122 - HZ2 TRP 51 5.000% * 4.7835% (0.92 0.02 0.02) = 4.783% kept HB VAL 13 - HZ2 TRP 51 5.000% * 4.4949% (0.87 0.02 1.62) = 4.495% kept HG3 PRO 116 - HZ2 TRP 51 5.000% * 4.3283% (0.83 0.02 0.02) = 4.328% kept HB3 LYS+ 55 - HZ2 TRP 51 5.000% * 2.5223% (0.49 0.02 0.23) = 2.522% kept HB2 LYS+ 108 - HZ2 TRP 51 5.000% * 1.9448% (0.37 0.02 0.02) = 1.945% kept HB2 GLU- 75 - HN ILE 48 5.000% * 1.6593% (0.04 0.15 0.02) = 1.659% kept HG3 PRO 31 - HN ILE 48 5.000% * 1.6380% (0.07 0.09 0.23) = 1.638% kept HB2 GLU- 75 - HZ2 TRP 51 5.000% * 1.5994% (0.31 0.02 0.02) = 1.599% kept HG2 PRO 112 - HZ2 TRP 51 5.000% * 0.7995% (0.15 0.02 0.02) = 0.800% HB3 GLU- 109 - HN ILE 48 5.000% * 0.6854% (0.13 0.02 0.02) = 0.685% HB VAL 122 - HN ILE 48 5.000% * 0.6689% (0.13 0.02 0.02) = 0.669% HB VAL 13 - HN ILE 48 5.000% * 0.6285% (0.12 0.02 0.02) = 0.629% HG3 PRO 116 - HN ILE 48 5.000% * 0.6052% (0.12 0.02 0.02) = 0.605% HB3 LYS+ 55 - HN ILE 48 5.000% * 0.3527% (0.07 0.02 0.02) = 0.353% HB2 LYS+ 108 - HN ILE 48 5.000% * 0.2719% (0.05 0.02 0.02) = 0.272% HG2 PRO 112 - HN ILE 48 5.000% * 0.1118% (0.02 0.02 0.02) = 0.112% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 528 (0.58, 7.33, 114.77 ppm): 4 chemical-shift based assignments, quality = 0.777, support = 2.71, residual support = 20.9: QD1 LEU 23 - HZ2 TRP 51 25.000% * 94.2645% (0.80 2.86 22.08) = 94.265% kept QD1 ILE 101 - HZ2 TRP 51 25.000% * 5.5959% (0.41 0.33 0.90) = 5.596% kept QD1 LEU 23 - HN ILE 48 25.000% * 0.0922% (0.11 0.02 0.02) = 0.092% QD1 ILE 101 - HN ILE 48 25.000% * 0.0473% (0.06 0.02 0.02) = 0.047% Peak 529 (4.39, 7.15, 128.34 ppm): 13 chemical-shift based assignments, quality = 0.844, support = 1.93, residual support = 28.1: * HA TRP 51 - HD1 TRP 51 7.692% * 53.3055% (0.92 2.56 50.19) = 53.305% kept HA ASN 89 - HD1 TRP 51 7.692% * 26.9604% (0.74 1.63 4.28) = 26.960% kept HA SER 88 - HD1 TRP 51 7.692% * 15.4575% (0.94 0.73 0.02) = 15.458% kept HB3 HIS+ 4 - HD1 TRP 51 7.692% * 2.2577% (0.33 0.30 7.08) = 2.258% kept HA VAL 73 - HD1 TRP 51 7.692% * 0.4300% (0.96 0.02 0.02) = 0.430% HA ASN 57 - HD1 TRP 51 7.692% * 0.3359% (0.75 0.02 0.02) = 0.336% HA ALA 37 - HD1 TRP 51 7.692% * 0.3191% (0.71 0.02 0.02) = 0.319% HA LYS+ 60 - HD1 TRP 51 7.692% * 0.2843% (0.63 0.02 0.02) = 0.284% HA THR 38 - HD1 TRP 51 7.692% * 0.2312% (0.51 0.02 0.02) = 0.231% HA THR 24 - HD1 TRP 51 7.692% * 0.1222% (0.27 0.02 0.02) = 0.122% HA2 GLY 26 - HD1 TRP 51 7.692% * 0.1096% (0.24 0.02 0.02) = 0.110% HA HIS+ 14 - HD1 TRP 51 7.692% * 0.1096% (0.24 0.02 0.02) = 0.110% HA LYS+ 117 - HD1 TRP 51 7.692% * 0.0770% (0.17 0.02 0.02) = 0.077% Peak 530 (3.04, 7.49, 120.17 ppm): 3 chemical-shift based assignments, quality = 0.59, support = 2.5, residual support = 49.4: O T HB2 TRP 51 - HE3 TRP 51 33.333% * 98.3960% (0.59 10.0 10.00 2.53 50.19) = 98.396% kept HA1 GLY 58 - HE3 TRP 51 33.333% * 1.5122% (0.41 1.0 1.00 0.45 3.79) = 1.512% kept HB3 HIS+ 8 - HE3 TRP 51 33.333% * 0.0918% (0.55 1.0 1.00 0.02 0.02) = 0.092% Peak 531 (3.69, 7.49, 120.17 ppm): 6 chemical-shift based assignments, quality = 0.842, support = 2.09, residual support = 3.86: HD2 PRO 52 - HE3 TRP 51 16.667% * 35.4174% (0.97 2.43 4.27) = 35.417% kept HA ILE 48 - HE3 TRP 51 16.667% * 27.3111% (0.98 1.86 1.20) = 27.311% kept HA ASN 89 - HE3 TRP 51 16.667% * 20.9800% (0.69 2.02 4.28) = 20.980% kept HB2 HIS+ 4 - HE3 TRP 51 16.667% * 15.8026% (0.55 1.90 7.08) = 15.803% kept HA LYS+ 81 - HE3 TRP 51 16.667% * 0.2640% (0.88 0.02 0.02) = 0.264% HA SER 27 - HE3 TRP 51 16.667% * 0.2250% (0.75 0.02 0.02) = 0.225% Peak 532 (4.40, 7.49, 120.17 ppm): 12 chemical-shift based assignments, quality = 0.657, support = 2.04, residual support = 21.0: HA TRP 51 - HE3 TRP 51 8.333% * 38.7737% (0.51 3.05 50.19) = 38.774% kept HA ASN 89 - HE3 TRP 51 8.333% * 35.9714% (0.72 2.02 4.28) = 35.971% kept HA SER 88 - HE3 TRP 51 8.333% * 15.7947% (0.85 0.75 0.02) = 15.795% kept HA THR 24 - HE3 TRP 51 8.333% * 3.8633% (0.71 0.22 0.02) = 3.863% kept HA HIS+ 14 - HE3 TRP 51 8.333% * 2.6887% (0.67 0.16 0.02) = 2.689% kept HA VAL 73 - HE3 TRP 51 8.333% * 2.0278% (0.93 0.09 0.02) = 2.028% kept HA LYS+ 66 - HE3 TRP 51 8.333% * 0.2165% (0.44 0.02 0.02) = 0.217% HA CYS 121 - HE3 TRP 51 8.333% * 0.1985% (0.40 0.02 0.02) = 0.199% HA ASN 57 - HE3 TRP 51 8.333% * 0.1490% (0.30 0.02 0.02) = 0.149% HA ALA 37 - HE3 TRP 51 8.333% * 0.1343% (0.27 0.02 0.02) = 0.134% HA LYS+ 60 - HE3 TRP 51 8.333% * 0.1075% (0.22 0.02 0.02) = 0.108% HA THR 38 - HE3 TRP 51 8.333% * 0.0745% (0.15 0.02 0.02) = 0.075% 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): 8 chemical-shift based assignments, quality = 0.81, support = 0.594, residual support = 0.132: HN VAL 122 - QE TYR 83 12.500% * 60.7365% (0.95 0.77 0.17) = 60.736% kept HN SER 88 - QE TYR 83 12.500% * 22.5109% (0.55 0.50 0.10) = 22.511% kept HN GLY 2 - QE TYR 83 12.500% * 6.1137% (0.81 0.09 0.02) = 6.114% kept HN HIS+ 3 - QE TYR 83 12.500% * 6.1137% (0.81 0.09 0.02) = 6.114% kept HN CYS 121 - QE TYR 83 12.500% * 2.8851% (0.43 0.08 0.02) = 2.885% kept HN LYS+ 110 - QE TYR 83 12.500% * 0.7198% (0.43 0.02 0.02) = 0.720% HN GLY 26 - QE TYR 83 12.500% * 0.6026% (0.36 0.02 0.02) = 0.603% HN HIS+ 5 - QE TYR 83 12.500% * 0.3177% (0.19 0.02 0.02) = 0.318% 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): 10 chemical-shift based assignments, quality = 0.694, support = 1.18, residual support = 2.14: HA ASN 89 - QE TYR 83 10.000% * 48.4633% (0.89 1.70 1.51) = 48.463% kept HB3 SER 77 - QE TYR 83 10.000% * 12.9778% (0.81 0.50 0.02) = 12.978% kept HA LEU 74 - QE TYR 83 10.000% * 12.5105% (0.31 1.25 11.09) = 12.511% kept HA VAL 122 - QE TYR 83 10.000% * 9.5317% (0.52 0.57 0.17) = 9.532% kept HB3 CYS 121 - QE TYR 83 10.000% * 8.8019% (0.41 0.67 0.02) = 8.802% kept HA LYS+ 44 - QE TYR 83 10.000% * 3.3025% (0.88 0.12 0.02) = 3.303% kept HA ILE 48 - QE TYR 83 10.000% * 3.2368% (0.15 0.67 0.02) = 3.237% kept HA1 GLY 114 - QE TYR 83 10.000% * 0.5839% (0.91 0.02 0.02) = 0.584% HA ALA 93 - QE TYR 83 10.000% * 0.4278% (0.67 0.02 0.02) = 0.428% HB THR 96 - QE TYR 83 10.000% * 0.1638% (0.25 0.02 0.02) = 0.164% Peak 547 (4.70, 6.73, 118.60 ppm): 7 chemical-shift based assignments, quality = 0.462, support = 1.2, residual support = 15.6: HA ASN 89 - QE TYR 83 14.286% * 35.9407% (0.32 1.70 1.51) = 35.941% kept HA GLN 16 - QE TYR 83 14.286% * 31.3925% (0.79 0.59 0.58) = 31.392% kept HA TYR 83 - QE TYR 83 14.286% * 27.4744% (0.28 1.46 54.00) = 27.474% kept HA2 GLY 30 - QE TYR 83 14.286% * 3.0516% (0.41 0.11 0.02) = 3.052% kept HA THR 61 - QE TYR 83 14.286% * 1.0164% (0.77 0.02 0.02) = 1.016% kept HA ASN 119 - QE TYR 83 14.286% * 0.8837% (0.67 0.02 0.02) = 0.884% HA PRO 31 - QE TYR 83 14.286% * 0.2408% (0.18 0.02 0.02) = 0.241% Peak 548 (0.46, 6.73, 118.58 ppm): 3 chemical-shift based assignments, quality = 0.733, support = 1.81, residual support = 6.53: QD2 LEU 74 - QE TYR 83 33.333% * 53.9612% (0.72 2.38 11.09) = 53.961% kept QG2 ILE 68 - QE TYR 83 33.333% * 33.0349% (0.75 1.39 1.42) = 33.035% kept QD2 LEU 43 - QE TYR 83 33.333% * 13.0039% (0.75 0.55 0.58) = 13.004% kept Peak 549 (-0.05, 6.73, 118.58 ppm): 1 chemical-shift based assignment, quality = 0.682, support = 2.14, residual support = 11.1: T QD1 LEU 74 - QE TYR 83 100.000% *100.0000% (0.68 10.00 2.14 11.09) = 100.000% kept Peak 550 (2.32, 7.06, 133.69 ppm): 6 chemical-shift based assignments, quality = 0.654, support = 3.31, residual support = 51.5: O HB2 TYR 83 - QD TYR 83 16.667% * 95.3085% (0.66 10.0 3.42 54.00) = 95.309% kept HA1 GLY 58 - QD TYR 83 16.667% * 4.3563% (0.52 1.0 1.16 0.92) = 4.356% kept HB3 PRO 86 - QD TYR 83 16.667% * 0.1375% (0.96 1.0 0.02 0.02) = 0.138% HG3 GLU- 64 - QD TYR 83 16.667% * 0.1060% (0.74 1.0 0.02 0.02) = 0.106% HB2 PRO 86 - QD TYR 83 16.667% * 0.0570% (0.40 1.0 0.02 0.02) = 0.057% HB2 HIS+ 3 - QD TYR 83 16.667% * 0.0346% (0.24 1.0 0.02 0.02) = 0.035% Peak 551 (1.68, 7.06, 133.69 ppm): 6 chemical-shift based assignments, quality = 0.517, support = 1.83, residual support = 6.51: HG3 ARG+ 84 - QD TYR 83 16.667% * 61.1261% (0.33 2.78 10.59) = 61.126% kept HD3 LYS+ 55 - QD TYR 83 16.667% * 26.8653% (0.93 0.43 0.12) = 26.865% kept HB2 HIS+ 8 - QD TYR 83 16.667% * 6.0361% (0.33 0.27 0.02) = 6.036% kept HB3 MET 126 - QD TYR 83 16.667% * 4.5016% (0.77 0.09 0.02) = 4.502% kept HB VAL 99 - QD TYR 83 16.667% * 1.2450% (0.93 0.02 0.02) = 1.245% kept HB3 MET 97 - QD TYR 83 16.667% * 0.2259% (0.17 0.02 0.02) = 0.226% Peak 552 (0.90, 7.06, 133.69 ppm): 13 chemical-shift based assignments, quality = 0.804, support = 1.47, residual support = 2.9: HG13 ILE 68 - QD TYR 83 7.692% * 25.0476% (0.96 1.85 1.42) = 25.048% kept QD1 LEU 67 - QD TYR 83 7.692% * 19.8511% (0.96 1.45 0.88) = 19.851% kept HG LEU 74 - QD TYR 83 7.692% * 19.6063% (0.55 2.53 11.09) = 19.606% kept QG1 VAL 47 - QD TYR 83 7.692% * 8.7004% (0.96 0.64 0.19) = 8.700% kept QG1 VAL 80 - QD TYR 83 7.692% * 7.7996% (0.66 0.83 2.13) = 7.800% kept QG2 VAL 105 - QD TYR 83 7.692% * 5.2181% (0.95 0.39 0.02) = 5.218% kept QG2 VAL 87 - QD TYR 83 7.692% * 4.6850% (0.96 0.34 0.02) = 4.685% kept QG2 VAL 47 - QD TYR 83 7.692% * 4.5613% (0.36 0.89 0.19) = 4.561% kept QG2 VAL 73 - QD TYR 83 7.692% * 4.0760% (0.51 0.57 0.02) = 4.076% kept QG1 VAL 122 - QD TYR 83 7.692% * 0.1438% (0.51 0.02 0.17) = 0.144% QG2 VAL 99 - QD TYR 83 7.692% * 0.1331% (0.47 0.02 0.02) = 0.133% QG2 VAL 125 - QD TYR 83 7.692% * 0.0933% (0.33 0.02 0.02) = 0.093% QG1 VAL 40 - QD TYR 83 7.692% * 0.0844% (0.30 0.02 0.02) = 0.084% Peak 553 (0.46, 7.06, 133.69 ppm): 3 chemical-shift based assignments, quality = 0.756, support = 1.97, residual support = 5.52: QD2 LEU 74 - QD TYR 83 33.333% * 44.3099% (0.74 2.49 11.09) = 44.310% kept QG2 ILE 68 - QD TYR 83 33.333% * 32.9947% (0.77 1.77 1.42) = 32.995% kept QD2 LEU 43 - QD TYR 83 33.333% * 22.6954% (0.77 1.22 0.58) = 22.695% kept Peak 554 (-0.05, 7.06, 133.69 ppm): 1 chemical-shift based assignment, quality = 0.7, support = 2.01, residual support = 11.1: T QD1 LEU 74 - QD TYR 83 100.000% *100.0000% (0.70 10.00 2.01 11.09) = 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 = 50.1: O HZ3 TRP 51 - HZ2 TRP 51 25.000% * 99.8934% (0.98 10.0 1.75 50.19) = 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 1.20) = 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 = 0.868, support = 1.02, residual support = 9.81: HG LEU 23 - HH2 TRP 51 9.091% * 43.0036% (0.95 1.41 22.08) = 43.004% kept HB ILE 100 - HH2 TRP 51 9.091% * 27.4559% (0.95 0.90 0.51) = 27.456% kept HG12 ILE 101 - HH2 TRP 51 9.091% * 18.1748% (0.95 0.60 0.90) = 18.175% kept HB3 ARG+ 22 - HH2 TRP 51 9.091% * 7.0206% (0.32 0.67 0.02) = 7.021% kept HD3 LYS+ 32 - HH2 TRP 51 9.091% * 2.2921% (0.21 0.34 0.26) = 2.292% kept HB2 LEU 67 - HH2 TRP 51 9.091% * 0.6106% (0.95 0.02 0.02) = 0.611% HG3 LYS+ 78 - HH2 TRP 51 9.091% * 0.5112% (0.79 0.02 0.02) = 0.511% HG2 LYS+ 110 - HH2 TRP 51 9.091% * 0.2979% (0.46 0.02 0.02) = 0.298% HG3 LYS+ 110 - HH2 TRP 51 9.091% * 0.2744% (0.43 0.02 0.02) = 0.274% HB3 LEU 17 - HH2 TRP 51 9.091% * 0.1889% (0.29 0.02 0.02) = 0.189% HB3 MET 97 - HH2 TRP 51 9.091% * 0.1701% (0.26 0.02 0.02) = 0.170% Peak 558 (1.00, 7.19, 125.29 ppm): 4 chemical-shift based assignments, quality = 0.717, support = 0.361, residual support = 0.182: QG1 VAL 99 - HH2 TRP 51 25.000% * 34.4964% (0.88 0.29 0.02) = 34.496% kept HG13 ILE 100 - HH2 TRP 51 25.000% * 33.0625% (0.46 0.53 0.51) = 33.063% kept HG LEU 74 - HH2 TRP 51 25.000% * 29.8951% (0.79 0.28 0.02) = 29.895% kept HG2 LYS+ 20 - HH2 TRP 51 25.000% * 2.5460% (0.95 0.02 0.02) = 2.546% kept Not enough total support, support cutoff is 0.44 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 = 3.79, residual support = 25.6: QG2 ILE 19 - QE PHE 34 100.000% *100.0000% (0.74 3.79 25.55) = 100.000% kept Peak 562 (-0.11, 7.34, 131.43 ppm): 1 chemical-shift based assignment, quality = 0.8, support = 1.91, residual support = 7.35: T QD1 LEU 43 - QE PHE 34 100.000% *100.0000% (0.80 10.00 1.91 7.35) = 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 = 25.6: QG2 ILE 19 - QD PHE 34 100.000% *100.0000% (0.80 3.27 25.55) = 100.000% kept Peak 564 (-0.12, 7.32, 133.42 ppm): 1 chemical-shift based assignment, quality = 0.411, support = 2.55, residual support = 7.35: T QD1 LEU 43 - QD PHE 34 100.000% *100.0000% (0.41 10.00 2.55 7.35) = 100.000% kept Peak 565 (3.16, 7.34, 131.42 ppm): 6 chemical-shift based assignments, quality = 0.863, support = 2.2, residual support = 41.9: T HB3 PHE 34 - QE PHE 34 16.667% * 92.5338% (0.90 10.00 2.34 45.31) = 92.534% kept T HA1 GLY 58 - QE PHE 34 16.667% * 4.4480% (0.21 10.00 0.42 0.11) = 4.448% kept HD3 PRO 35 - QE PHE 34 16.667% * 1.8259% (0.76 1.00 0.47 0.49) = 1.826% kept HD3 ARG+ 84 - QE PHE 34 16.667% * 1.0923% (0.65 1.00 0.33 0.02) = 1.092% 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 = 0.662, support = 2.01, residual support = 28.5: T HB2 PHE 34 - QE PHE 34 16.667% * 62.0665% (0.50 10.00 2.62 45.31) = 62.066% kept T HA1 GLY 58 - QE PHE 34 16.667% * 24.4351% (0.95 10.00 0.42 0.11) = 24.435% kept HE2 LYS+ 20 - QE PHE 34 16.667% * 12.8540% (0.93 1.00 2.22 2.44) = 12.854% kept HB3 ASP- 36 - QE PHE 34 16.667% * 0.4947% (0.52 1.00 0.15 0.02) = 0.495% HB2 ASP- 25 - QE PHE 34 16.667% * 0.1169% (0.94 1.00 0.02 0.02) = 0.117% HB3 ASP- 82 - QE PHE 34 16.667% * 0.0328% (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 = 14.2: T HE3 LYS+ 32 - QE PHE 34 12.500% * 74.7639% (0.94 10.00 2.66 18.96) = 74.764% kept T HA1 GLY 58 - QE PHE 34 12.500% * 13.6671% (0.83 10.00 0.42 0.11) = 13.667% kept T HE3 LYS+ 111 - QE PHE 34 12.500% * 9.1292% (0.85 10.00 0.27 0.02) = 9.129% kept HA2 GLY 58 - QE PHE 34 12.500% * 1.9193% (0.95 1.00 0.51 0.11) = 1.919% kept HB3 ASN 57 - QE PHE 34 12.500% * 0.4145% (0.43 1.00 0.25 0.02) = 0.415% HB3 ASN 89 - QE PHE 34 12.500% * 0.0488% (0.62 1.00 0.02 0.02) = 0.049% HB2 ASN 119 - QE PHE 34 12.500% * 0.0338% (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): 7 chemical-shift based assignments, quality = 0.631, support = 0.528, residual support = 0.754: T QB ALA 103 - QE PHE 34 14.286% * 74.7144% (0.72 10.00 0.38 0.65) = 74.714% kept HG LEU 74 - QE PHE 34 14.286% * 9.4433% (0.53 1.00 0.65 0.30) = 9.443% kept HG3 LYS+ 20 - QE PHE 34 14.286% * 7.9281% (0.14 1.00 2.05 2.44) = 7.928% kept QB ALA 11 - QE PHE 34 14.286% * 3.1739% (0.46 1.00 0.25 0.02) = 3.174% kept HB2 LEU 17 - QE PHE 34 14.286% * 2.5560% (0.30 1.00 0.31 1.67) = 2.556% kept QG2 THR 46 - QE PHE 34 14.286% * 2.1069% (0.28 1.00 0.28 0.02) = 2.107% kept HB2 LYS+ 55 - QE PHE 34 14.286% * 0.0774% (0.14 1.00 0.02 0.02) = 0.077% Peak 570 (1.32, 7.04, 130.39 ppm): 7 chemical-shift based assignments, quality = 0.827, support = 1.21, residual support = 2.43: T QB ALA 103 - QE PHE 21 14.286% * 84.6728% (0.88 10.00 1.11 2.13) = 84.673% kept HG LEU 74 - QE PHE 21 14.286% * 11.3006% (0.64 1.00 2.03 4.65) = 11.301% kept HG3 LYS+ 20 - QE PHE 21 14.286% * 2.0688% (0.17 1.00 1.39 5.20) = 2.069% kept HB2 LEU 17 - QE PHE 21 14.286% * 1.7736% (0.37 1.00 0.56 0.02) = 1.774% kept QB ALA 11 - QE PHE 21 14.286% * 0.0964% (0.55 1.00 0.02 0.02) = 0.096% QG2 THR 46 - QE PHE 21 14.286% * 0.0581% (0.33 1.00 0.02 0.02) = 0.058% HB2 LYS+ 55 - QE PHE 21 14.286% * 0.0298% (0.17 1.00 0.02 0.02) = 0.030% Peak 571 (1.63, 7.04, 130.39 ppm): 11 chemical-shift based assignments, quality = 0.62, support = 1.18, residual support = 3.66: HB3 ARG+ 22 - QE PHE 21 9.091% * 65.7551% (0.59 1.63 5.56) = 65.755% kept HB2 LEU 67 - QE PHE 21 9.091% * 20.5862% (0.85 0.36 0.02) = 20.586% kept HG3 ARG+ 84 - QE PHE 21 9.091% * 7.6407% (0.30 0.37 0.02) = 7.641% kept HG LEU 23 - QE PHE 21 9.091% * 1.2261% (0.90 0.02 0.02) = 1.226% kept HG12 ILE 101 - QE PHE 21 9.091% * 1.1521% (0.85 0.02 0.02) = 1.152% kept HB ILE 100 - QE PHE 21 9.091% * 1.1521% (0.85 0.02 0.02) = 1.152% kept HG3 LYS+ 78 - QE PHE 21 9.091% * 0.7520% (0.55 0.02 0.02) = 0.752% HB3 MET 97 - QE PHE 21 9.091% * 0.6988% (0.52 0.02 0.42) = 0.699% HB2 HIS+ 8 - QE PHE 21 9.091% * 0.4099% (0.30 0.02 0.02) = 0.410% HG2 LYS+ 110 - QE PHE 21 9.091% * 0.3312% (0.24 0.02 0.02) = 0.331% HG3 LYS+ 110 - QE PHE 21 9.091% * 0.2957% (0.22 0.02 0.02) = 0.296% 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 total support, support cutoff is 0.44 Peak unassigned. Peaks: selected : 241 with diagonal assignment : 14 without assignment possibility : 149 with one assignment possibility : 9 with multiple assignment possibilities : 69 with given assignment possibilities : 0 with unique volume contribution : 19 with multiple volume contributions : 59 eliminated by violation filter : 0 Peaks: selected : 241 without assignment : 155 with assignment : 86 with unique assignment : 31 with multiple assignment : 55 with reference assignment : 27 with identical reference assignment : 21 with compatible reference assignment : 6 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): 8 chemical-shift based assignments, quality = 0.832, support = 2.3, residual support = 12.6: * O HA ALA 70 - HN ALA 70 12.500% * 99.5582% (0.84 10.0 2.31 12.66) = 99.558% kept HA ASN 89 - HN ALA 70 12.500% * 0.1189% (1.00 1.0 0.02 0.02) = 0.119% HA LYS+ 63 - HN ALA 70 12.500% * 0.0911% (0.76 1.0 0.02 0.02) = 0.091% HA LYS+ 44 - HN ALA 70 12.500% * 0.0875% (0.73 1.0 0.02 0.02) = 0.088% HA VAL 105 - HN ALA 70 12.500% * 0.0580% (0.49 1.0 0.02 0.02) = 0.058% HB2 SER 49 - HN ALA 70 12.500% * 0.0368% (0.31 1.0 0.02 0.02) = 0.037% HA THR 46 - HN ALA 70 12.500% * 0.0297% (0.25 1.0 0.02 0.02) = 0.030% HB3 SER 77 - HN ALA 70 12.500% * 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 3 (4.98, 9.49, 134.56 ppm): 1 chemical-shift based assignment, quality = 0.341, support = 2.09, residual support = 3.42: HA ILE 68 - HN ALA 70 100.000% *100.0000% (0.34 2.09 3.42) = 100.000% kept Peak 5 (4.88, 9.49, 134.56 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 2.22, residual support = 2.69: * O HA SER 69 - HN ALA 70 25.000% * 99.8341% (1.00 10.0 2.22 2.70) = 99.834% kept HA ILE 19 - HN ALA 70 25.000% * 0.0922% (0.92 1.0 0.02 0.02) = 0.092% HA THR 95 - HN ALA 70 25.000% * 0.0565% (0.57 1.0 0.02 0.02) = 0.057% HA ASN 89 - HN ALA 70 25.000% * 0.0172% (0.17 1.0 0.02 0.02) = 0.017% 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): 7 chemical-shift based assignments, quality = 0.84, support = 0.07, residual support = 0.02: HA ASN 119 - HN ILE 100 14.286% * 53.1593% (1.00 0.10 0.02) = 53.159% kept HA LYS+ 120 - HN ILE 100 14.286% * 11.2886% (0.25 0.09 0.02) = 11.289% kept HA THR 61 - HN ILE 100 14.286% * 10.4030% (0.98 0.02 0.02) = 10.403% kept HA GLN 16 - HN ILE 100 14.286% * 10.2424% (0.96 0.02 0.02) = 10.242% kept HA TYR 83 - HN ILE 100 14.286% * 8.1108% (0.76 0.02 0.02) = 8.111% kept HA ASN 89 - HN ILE 100 14.286% * 3.8450% (0.36 0.02 0.02) = 3.845% kept HA ASP- 36 - HN ILE 100 14.286% * 2.9508% (0.28 0.02 0.02) = 2.951% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 8 (0.90, 9.25, 131.84 ppm): 13 chemical-shift based assignments, quality = 0.606, support = 2.07, residual support = 5.93: * QG2 VAL 99 - HN ILE 100 7.692% * 42.7187% (0.48 3.23 7.71) = 42.719% kept HG LEU 74 - HN ILE 100 7.692% * 30.3775% (0.56 1.97 8.25) = 30.377% kept HG13 ILE 68 - HN ILE 100 7.692% * 12.6356% (0.99 0.47 1.01) = 12.636% kept QD1 LEU 67 - HN ILE 100 7.692% * 9.0992% (1.00 0.34 0.02) = 9.099% kept QG2 VAL 73 - HN ILE 100 7.692% * 2.3414% (0.52 0.16 0.02) = 2.341% kept QG2 VAL 87 - HN ILE 100 7.692% * 0.5418% (0.99 0.02 0.02) = 0.542% QG1 VAL 47 - HN ILE 100 7.692% * 0.5382% (0.99 0.02 0.02) = 0.538% QG2 VAL 105 - HN ILE 100 7.692% * 0.5323% (0.98 0.02 0.02) = 0.532% QG1 VAL 80 - HN ILE 100 7.692% * 0.3730% (0.68 0.02 0.02) = 0.373% QG1 VAL 122 - HN ILE 100 7.692% * 0.2857% (0.52 0.02 0.02) = 0.286% QG2 VAL 47 - HN ILE 100 7.692% * 0.2038% (0.37 0.02 0.02) = 0.204% QG2 VAL 125 - HN ILE 100 7.692% * 0.1852% (0.34 0.02 0.02) = 0.185% QG1 VAL 40 - HN ILE 100 7.692% * 0.1676% (0.31 0.02 0.02) = 0.168% Peak 9 (1.64, 9.25, 131.84 ppm): 10 chemical-shift based assignments, quality = 0.681, support = 3.92, residual support = 16.8: * O HB ILE 100 - HN ILE 100 10.000% * 83.7485% (0.68 10.0 4.26 18.79) = 83.748% kept HG12 ILE 101 - HN ILE 100 10.000% * 11.7779% (0.68 1.0 2.81 9.15) = 11.778% kept HB2 LEU 67 - HN ILE 100 10.000% * 2.9900% (0.68 1.0 0.71 0.02) = 2.990% kept HB3 MET 97 - HN ILE 100 10.000% * 1.1119% (0.72 1.0 0.25 0.02) = 1.112% kept HB3 ARG+ 22 - HN ILE 100 10.000% * 0.0976% (0.80 1.0 0.02 0.02) = 0.098% HG LEU 23 - HN ILE 100 10.000% * 0.0932% (0.76 1.0 0.02 0.42) = 0.093% HB2 HIS+ 8 - HN ILE 100 10.000% * 0.0593% (0.48 1.0 0.02 0.02) = 0.059% HG3 ARG+ 84 - HN ILE 100 10.000% * 0.0593% (0.48 1.0 0.02 0.02) = 0.059% HG3 LYS+ 78 - HN ILE 100 10.000% * 0.0458% (0.37 1.0 0.02 0.02) = 0.046% HG2 LYS+ 110 - HN ILE 100 10.000% * 0.0165% (0.13 1.0 0.02 0.02) = 0.017% Peak 10 (1.02, 9.25, 131.84 ppm): 4 chemical-shift based assignments, quality = 0.887, support = 3.2, residual support = 13.2: * HG13 ILE 100 - HN ILE 100 25.000% * 48.6504% (1.00 3.81 18.79) = 48.650% kept QG1 VAL 99 - HN ILE 100 25.000% * 29.1607% (0.72 3.14 7.71) = 29.161% kept HG LEU 74 - HN ILE 100 25.000% * 22.0743% (0.87 1.97 8.25) = 22.074% kept HG2 LYS+ 20 - HN ILE 100 25.000% * 0.1146% (0.45 0.02 0.11) = 0.115% Peak 11 (9.07, 9.25, 131.84 ppm): 2 chemical-shift based assignments, quality = 0.917, support = 1.16, residual support = 2.56: T HN LYS+ 66 - HN ILE 100 50.000% * 99.8177% (0.92 10.00 1.16 2.56) = 99.818% kept HN GLU- 54 - HN ILE 100 50.000% * 0.1823% (0.98 1.00 0.02 0.02) = 0.182% Peak 12 (4.46, 9.25, 131.84 ppm): 12 chemical-shift based assignments, quality = 0.908, support = 3.83, residual support = 13.6: * O HA ILE 100 - HN ILE 100 8.333% * 52.6484% (1.00 10.0 4.48 18.79) = 52.648% kept O HA VAL 99 - HN ILE 100 8.333% * 42.1575% (0.80 10.0 3.26 7.71) = 42.158% kept HA ILE 101 - HN ILE 100 8.333% * 4.8976% (0.99 1.0 1.86 9.15) = 4.898% kept HA PRO 86 - HN ILE 100 8.333% * 0.0522% (0.99 1.0 0.02 0.02) = 0.052% HA LYS+ 32 - HN ILE 100 8.333% * 0.0508% (0.96 1.0 0.02 0.02) = 0.051% HA ALA 103 - HN ILE 100 8.333% * 0.0498% (0.94 1.0 0.02 0.02) = 0.050% HA GLU- 50 - HN ILE 100 8.333% * 0.0486% (0.92 1.0 0.02 0.02) = 0.049% HA ASN 89 - HN ILE 100 8.333% * 0.0344% (0.65 1.0 0.02 0.02) = 0.034% HA VAL 73 - HN ILE 100 8.333% * 0.0337% (0.64 1.0 0.02 0.02) = 0.034% HA ASN 76 - HN ILE 100 8.333% * 0.0117% (0.22 1.0 0.02 0.02) = 0.012% HB THR 24 - HN ILE 100 8.333% * 0.0081% (0.15 1.0 0.02 0.02) = 0.008% HA LYS+ 111 - HN ILE 100 8.333% * 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 = 0.752, support = 3.5, residual support = 17.4: * HG12 ILE 100 - HN ILE 100 20.000% * 69.2702% (1.00 3.45 18.79) = 69.270% kept QD1 ILE 100 - HN ILE 100 20.000% * 19.0240% (0.20 4.79 18.79) = 19.024% kept HG LEU 74 - HN ILE 100 20.000% * 9.1570% (0.23 1.97 8.25) = 9.157% kept HG3 LYS+ 66 - HN ILE 100 20.000% * 2.2009% (0.17 0.63 2.56) = 2.201% kept HG3 LYS+ 44 - HN ILE 100 20.000% * 0.3479% (0.86 0.02 0.02) = 0.348% 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 = 2.45, residual support = 3.79: * O HA ARG+ 22 - HN LEU 23 100.000% *100.0000% (0.65 10.0 2.45 3.79) = 100.000% kept Peak 16 (1.63, 9.29, 130.07 ppm): 12 chemical-shift based assignments, quality = 0.823, support = 2.9, residual support = 20.6: HG LEU 23 - HN LEU 23 8.333% * 49.7014% (0.96 3.99 39.67) = 49.701% kept * HB3 ARG+ 22 - HN LEU 23 8.333% * 19.9604% (0.53 2.94 3.79) = 19.960% kept HG12 ILE 101 - HN LEU 23 8.333% * 13.5021% (0.92 1.13 0.55) = 13.502% kept HB ILE 100 - HN LEU 23 8.333% * 11.0487% (0.92 0.93 0.42) = 11.049% kept HG3 ARG+ 84 - HN LEU 23 8.333% * 5.0053% (0.25 1.56 0.51) = 5.005% kept HB2 LEU 67 - HN LEU 23 8.333% * 0.2383% (0.92 0.02 0.02) = 0.238% HG3 LYS+ 78 - HN LEU 23 8.333% * 0.1670% (0.65 0.02 0.02) = 0.167% HB3 MET 97 - HN LEU 23 8.333% * 0.1157% (0.45 0.02 0.12) = 0.116% HG2 LYS+ 110 - HN LEU 23 8.333% * 0.0797% (0.31 0.02 0.02) = 0.080% HG3 LYS+ 110 - HN LEU 23 8.333% * 0.0718% (0.28 0.02 0.02) = 0.072% HB2 HIS+ 8 - HN LEU 23 8.333% * 0.0644% (0.25 0.02 0.02) = 0.064% HB3 LEU 17 - HN LEU 23 8.333% * 0.0452% (0.17 0.02 0.02) = 0.045% Peak 17 (1.92, 9.29, 130.07 ppm): 15 chemical-shift based assignments, quality = 0.988, support = 3.99, residual support = 38.3: O HB2 LEU 23 - HN LEU 23 6.667% * 95.8795% (1.00 10.0 4.13 39.67) = 95.879% kept HB ILE 29 - HN LEU 23 6.667% * 3.4298% (0.90 1.0 0.80 8.51) = 3.430% kept HB3 GLU- 56 - HN LEU 23 6.667% * 0.0957% (1.00 1.0 0.02 0.02) = 0.096% HB3 PRO 35 - HN LEU 23 6.667% * 0.0940% (0.98 1.0 0.02 0.02) = 0.094% HD3 LYS+ 63 - HN LEU 23 6.667% * 0.0860% (0.90 1.0 0.02 0.02) = 0.086% HB3 GLN 102 - HN LEU 23 6.667% * 0.0696% (0.73 1.0 0.02 0.46) = 0.070% HB3 GLU- 54 - HN LEU 23 6.667% * 0.0659% (0.69 1.0 0.02 0.02) = 0.066% HB2 PRO 116 - HN LEU 23 6.667% * 0.0620% (0.65 1.0 0.02 1.64) = 0.062% HG2 PRO 112 - HN LEU 23 6.667% * 0.0543% (0.57 1.0 0.02 0.02) = 0.054% HB3 MET 118 - HN LEU 23 6.667% * 0.0504% (0.53 1.0 0.02 0.02) = 0.050% HB2 GLU- 75 - HN LEU 23 6.667% * 0.0327% (0.34 1.0 0.02 0.02) = 0.033% HB3 CYS 123 - HN LEU 23 6.667% * 0.0296% (0.31 1.0 0.02 0.02) = 0.030% HB3 LYS+ 55 - HN LEU 23 6.667% * 0.0190% (0.20 1.0 0.02 0.02) = 0.019% HG3 PRO 31 - HN LEU 23 6.667% * 0.0168% (0.17 1.0 0.02 0.02) = 0.017% HG2 GLU- 18 - HN LEU 23 6.667% * 0.0148% (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 = 3.97, residual support = 39.7: QD2 LEU 23 - HN LEU 23 100.000% *100.0000% (0.37 3.97 39.67) = 100.000% kept Peak 19 (3.28, 9.29, 130.07 ppm): 4 chemical-shift based assignments, quality = 0.997, support = 3.22, residual support = 39.6: * O HA LEU 23 - HN LEU 23 25.000% * 99.7822% (1.00 10.0 3.23 39.67) = 99.782% kept HE3 LYS+ 63 - HN LEU 23 25.000% * 0.0989% (0.99 1.0 0.02 0.02) = 0.099% HD3 ARG+ 53 - HN LEU 23 25.000% * 0.0978% (0.98 1.0 0.02 0.02) = 0.098% HA ASN 89 - HN LEU 23 25.000% * 0.0211% (0.21 1.0 0.02 0.27) = 0.021% Peak 20 (1.38, 9.29, 130.07 ppm): 10 chemical-shift based assignments, quality = 0.627, support = 1.34, residual support = 1.4: * HG3 ARG+ 22 - HN LEU 23 10.000% * 34.5813% (0.45 2.57 3.79) = 34.581% kept HB3 LYS+ 20 - HN LEU 23 10.000% * 22.4565% (0.98 0.76 0.17) = 22.456% kept HB2 LYS+ 20 - HN LEU 23 10.000% * 17.2759% (0.94 0.61 0.17) = 17.276% kept HD3 LYS+ 20 - HN LEU 23 10.000% * 8.5082% (0.45 0.63 0.17) = 8.508% kept HG3 LYS+ 20 - HN LEU 23 10.000% * 7.2792% (0.20 1.23 0.17) = 7.279% kept HG13 ILE 19 - HN LEU 23 10.000% * 5.8311% (0.41 0.47 0.02) = 5.831% kept HG LEU 74 - HN LEU 23 10.000% * 2.4986% (0.50 0.17 0.02) = 2.499% kept HG2 LYS+ 78 - HN LEU 23 10.000% * 0.5940% (0.99 0.02 0.02) = 0.594% QG2 THR 39 - HN LEU 23 10.000% * 0.5875% (0.98 0.02 0.02) = 0.587% QB ALA 91 - HN LEU 23 10.000% * 0.3877% (0.65 0.02 0.02) = 0.388% Peak 21 (1.74, 9.29, 130.07 ppm): 8 chemical-shift based assignments, quality = 0.68, support = 0.469, residual support = 0.467: HB3 GLU- 50 - HN LEU 23 12.500% * 40.4001% (0.80 0.65 0.84) = 40.400% kept HB2 HIS+ 7 - HN LEU 23 12.500% * 21.5876% (0.65 0.43 0.02) = 21.588% kept HB VAL 94 - HN LEU 23 12.500% * 18.5973% (0.69 0.35 0.02) = 18.597% kept HB2 ARG+ 84 - HN LEU 23 12.500% * 13.0001% (0.57 0.30 0.51) = 13.000% kept HB ILE 48 - HN LEU 23 12.500% * 3.3092% (0.34 0.13 0.02) = 3.309% kept HB2 GLN 16 - HN LEU 23 12.500% * 2.6869% (0.20 0.18 1.98) = 2.687% kept HB3 GLU- 18 - HN LEU 23 12.500% * 0.2094% (0.14 0.02 0.02) = 0.209% HB3 ARG+ 53 - HN LEU 23 12.500% * 0.2094% (0.14 0.02 0.02) = 0.209% 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): 8 chemical-shift based assignments, quality = 0.842, support = 0.507, residual support = 0.179: HA ASN 89 - HN LYS+ 66 12.500% * 47.2812% (0.96 0.61 0.11) = 47.281% kept HA GLU- 64 - HN LYS+ 66 12.500% * 30.9686% (0.69 0.56 0.40) = 30.969% kept HA MET 126 - HN LYS+ 66 12.500% * 18.8020% (0.92 0.25 0.02) = 18.802% kept HA VAL 73 - HN LYS+ 66 12.500% * 1.2020% (0.18 0.08 0.02) = 1.202% kept HA ASP- 82 - HN LYS+ 66 12.500% * 0.6673% (0.41 0.02 0.02) = 0.667% HA LYS+ 44 - HN LYS+ 66 12.500% * 0.5072% (0.31 0.02 0.02) = 0.507% HA GLU- 109 - HN LYS+ 66 12.500% * 0.3212% (0.20 0.02 0.02) = 0.321% HB3 HIS+ 14 - HN LYS+ 66 12.500% * 0.2505% (0.15 0.02 0.02) = 0.250% Peak 24 (0.72, 9.08, 129.85 ppm): 11 chemical-shift based assignments, quality = 0.583, support = 1.48, residual support = 2.94: QG2 ILE 101 - HN LYS+ 66 9.091% * 30.9679% (0.69 1.87 3.89) = 30.968% kept * HG3 LYS+ 66 - HN LYS+ 66 9.091% * 26.1669% (0.53 2.07 4.74) = 26.167% kept HG LEU 67 - HN LYS+ 66 9.091% * 10.5782% (0.34 1.29 3.83) = 10.578% kept QD1 ILE 68 - HN LYS+ 66 9.091% * 8.8973% (0.87 0.43 0.02) = 8.897% kept HG LEU 74 - HN LYS+ 66 9.091% * 7.1864% (0.16 1.90 1.22) = 7.186% kept QG2 ILE 48 - HN LYS+ 66 9.091% * 6.4106% (0.80 0.33 0.02) = 6.411% kept QD2 LEU 9 - HN LYS+ 66 9.091% * 4.9876% (0.87 0.24 0.02) = 4.988% kept HB2 LEU 9 - HN LYS+ 66 9.091% * 3.8164% (0.37 0.42 0.02) = 3.816% kept QG2 VAL 40 - HN LYS+ 66 9.091% * 0.4773% (0.99 0.02 0.02) = 0.477% QD1 LEU 9 - HN LYS+ 66 9.091% * 0.3308% (0.69 0.02 0.02) = 0.331% HG2 PRO 59 - HN LYS+ 66 9.091% * 0.1807% (0.37 0.02 0.02) = 0.181% Peak 25 (1.65, 9.08, 129.85 ppm): 10 chemical-shift based assignments, quality = 0.594, support = 1.13, residual support = 1.84: HG12 ILE 101 - HN LYS+ 66 10.000% * 22.3230% (0.41 1.89 3.89) = 22.323% kept HB2 HIS+ 8 - HN LYS+ 66 10.000% * 17.4565% (0.76 0.80 0.12) = 17.456% kept HG3 ARG+ 84 - HN LYS+ 66 10.000% * 16.9703% (0.76 0.77 0.02) = 16.970% kept HB ILE 100 - HN LYS+ 66 10.000% * 15.6166% (0.41 1.32 2.56) = 15.617% kept HB2 LEU 67 - HN LYS+ 66 10.000% * 14.1228% (0.41 1.20 3.83) = 14.123% kept HB3 MET 97 - HN LYS+ 66 10.000% * 12.3923% (0.94 0.46 0.02) = 12.392% kept HB3 ARG+ 22 - HN LYS+ 66 10.000% * 0.5621% (0.98 0.02 0.02) = 0.562% HG LEU 23 - HN LYS+ 66 10.000% * 0.2791% (0.49 0.02 0.02) = 0.279% HB3 MET 126 - HN LYS+ 66 10.000% * 0.1770% (0.31 0.02 0.02) = 0.177% HG3 LYS+ 78 - HN LYS+ 66 10.000% * 0.1004% (0.17 0.02 0.02) = 0.100% Peak 26 (1.84, 9.08, 129.85 ppm): 10 chemical-shift based assignments, quality = 0.99, support = 1.22, residual support = 4.7: * O HB2 LYS+ 66 - HN LYS+ 66 10.000% * 99.1040% (1.00 10.0 1.23 4.74) = 99.104% kept HG3 PRO 112 - HN LYS+ 66 10.000% * 0.1553% (0.96 1.0 0.02 0.02) = 0.155% HB3 PRO 59 - HN LYS+ 66 10.000% * 0.1553% (0.96 1.0 0.02 0.02) = 0.155% HB2 PRO 59 - HN LYS+ 66 10.000% * 0.1344% (0.83 1.0 0.02 0.02) = 0.134% HB3 LYS+ 72 - HN LYS+ 66 10.000% * 0.1288% (0.80 1.0 0.02 0.02) = 0.129% HB2 PRO 104 - HN LYS+ 66 10.000% * 0.1230% (0.76 1.0 0.02 0.02) = 0.123% HB VAL 73 - HN LYS+ 66 10.000% * 0.0783% (0.49 1.0 0.02 0.02) = 0.078% HD3 LYS+ 117 - HN LYS+ 66 10.000% * 0.0604% (0.37 1.0 0.02 0.02) = 0.060% HD3 LYS+ 72 - HN LYS+ 66 10.000% * 0.0358% (0.22 1.0 0.02 0.02) = 0.036% HB2 GLU- 109 - HN LYS+ 66 10.000% * 0.0248% (0.15 1.0 0.02 0.02) = 0.025% Peak 27 (4.42, 9.08, 129.85 ppm): 9 chemical-shift based assignments, quality = 0.923, support = 1.77, residual support = 4.55: * O HA LYS+ 66 - HN LYS+ 66 11.111% * 95.9550% (0.94 10.0 1.83 4.74) = 95.955% kept HA ASN 89 - HN LYS+ 66 11.111% * 2.3705% (0.70 1.0 0.61 0.11) = 2.370% kept HA VAL 99 - HN LYS+ 66 11.111% * 0.8259% (0.17 1.0 0.85 0.02) = 0.826% HA VAL 73 - HN LYS+ 66 11.111% * 0.3876% (0.85 1.0 0.08 0.02) = 0.388% HA CYS 121 - HN LYS+ 66 11.111% * 0.1070% (0.96 1.0 0.02 0.02) = 0.107% HA LYS+ 111 - HN LYS+ 66 11.111% * 0.0962% (0.87 1.0 0.02 0.02) = 0.096% HB THR 24 - HN LYS+ 66 11.111% * 0.0926% (0.83 1.0 0.02 0.02) = 0.093% HA HIS+ 14 - HN LYS+ 66 11.111% * 0.0847% (0.76 1.0 0.02 0.02) = 0.085% HA THR 24 - HN LYS+ 66 11.111% * 0.0805% (0.73 1.0 0.02 0.02) = 0.081% Peak 28 (0.54, 9.08, 129.85 ppm): 2 chemical-shift based assignments, quality = 0.767, support = 1.34, residual support = 3.89: HG13 ILE 101 - HN LYS+ 66 50.000% * 61.8971% (0.96 1.19 3.89) = 61.897% kept QD1 ILE 101 - HN LYS+ 66 50.000% * 38.1029% (0.45 1.58 3.89) = 38.103% kept Peak 29 (9.24, 9.08, 129.85 ppm): 1 chemical-shift based assignment, quality = 0.922, support = 1.16, residual support = 2.56: T HN ILE 100 - HN LYS+ 66 100.000% *100.0000% (0.92 10.00 1.16 2.56) = 100.000% kept Peak 30 (4.17, 8.45, 129.16 ppm): 7 chemical-shift based assignments, quality = 0.441, support = 2.54, residual support = 6.68: * O HA VAL 73 - HN LEU 74 14.286% * 55.1395% (0.13 10.0 3.36 10.26) = 55.139% kept HA ASN 89 - HN LEU 74 14.286% * 34.8704% (0.96 1.0 1.77 2.30) = 34.870% kept HA LYS+ 44 - HN LEU 74 14.286% * 5.7287% (0.37 1.0 0.76 3.69) = 5.729% kept HB2 SER 88 - HN LEU 74 14.286% * 3.9743% (0.31 1.0 0.63 0.02) = 3.974% kept HA MET 126 - HN LEU 74 14.286% * 0.1529% (0.37 1.0 0.02 2.45) = 0.153% HA GLU- 64 - HN LEU 74 14.286% * 0.0714% (0.17 1.0 0.02 0.12) = 0.071% HA2 GLY 71 - HN LEU 74 14.286% * 0.0629% (0.15 1.0 0.02 0.02) = 0.063% Peak 31 (0.91, 8.45, 129.16 ppm): 13 chemical-shift based assignments, quality = 0.708, support = 4.11, residual support = 42.0: HG LEU 74 - HN LEU 74 7.692% * 47.9041% (0.58 5.80 76.40) = 47.904% kept * QG2 VAL 73 - HN LEU 74 7.692% * 38.7761% (0.83 3.32 10.26) = 38.776% kept HG13 ILE 68 - HN LEU 74 7.692% * 6.9935% (0.91 0.54 5.42) = 6.994% kept QD1 LEU 67 - HN LEU 74 7.692% * 3.7962% (0.86 0.31 26.34) = 3.796% kept QG1 VAL 47 - HN LEU 74 7.692% * 1.4588% (0.79 0.13 0.86) = 1.459% kept QG2 VAL 87 - HN LEU 74 7.692% * 0.2510% (0.89 0.02 0.02) = 0.251% QG2 VAL 99 - HN LEU 74 7.692% * 0.2241% (0.79 0.02 0.02) = 0.224% QG2 VAL 105 - HN LEU 74 7.692% * 0.2139% (0.76 0.02 0.62) = 0.214% QG1 VAL 80 - HN LEU 74 7.692% * 0.1050% (0.37 0.02 0.45) = 0.105% QD1 LEU 17 - HN LEU 74 7.692% * 0.0864% (0.31 0.02 1.52) = 0.086% QG1 VAL 105 - HN LEU 74 7.692% * 0.0778% (0.27 0.02 0.62) = 0.078% QG1 VAL 122 - HN LEU 74 7.692% * 0.0698% (0.25 0.02 4.52) = 0.070% QG2 VAL 47 - HN LEU 74 7.692% * 0.0432% (0.15 0.02 0.86) = 0.043% Peak 32 (0.71, 8.45, 129.16 ppm): 12 chemical-shift based assignments, quality = 0.795, support = 1.11, residual support = 7.55: QG2 ILE 101 - HN LEU 74 8.333% * 41.8658% (0.97 1.26 12.00) = 41.866% kept QG2 ILE 48 - HN LEU 74 8.333% * 37.3350% (0.91 1.19 5.70) = 37.335% kept QD1 LEU 9 - HN LEU 74 8.333% * 6.3900% (0.15 1.22 1.30) = 6.390% kept QG2 VAL 94 - HN LEU 74 8.333% * 5.8659% (0.41 0.42 0.26) = 5.866% kept QD1 ILE 68 - HN LEU 74 8.333% * 5.5314% (0.27 0.59 5.42) = 5.531% kept HB2 LEU 9 - HN LEU 74 8.333% * 0.6414% (0.94 0.02 1.30) = 0.641% HG2 PRO 59 - HN LEU 74 8.333% * 0.6414% (0.94 0.02 0.02) = 0.641% HG LEU 67 - HN LEU 74 8.333% * 0.6260% (0.91 0.02 26.34) = 0.626% QD1 ILE 19 - HN LEU 74 8.333% * 0.3301% (0.48 0.02 0.92) = 0.330% QG2 VAL 40 - HN LEU 74 8.333% * 0.3301% (0.48 0.02 0.02) = 0.330% HG12 ILE 19 - HN LEU 74 8.333% * 0.2545% (0.37 0.02 0.92) = 0.254% QD2 LEU 9 - HN LEU 74 8.333% * 0.1885% (0.27 0.02 1.30) = 0.189% Reference assignment not found: HG LEU 74 - HN LEU 74 Peak 33 (8.45, 8.45, 129.16 ppm): 1 diagonal assignment: HN LEU 74 - HN LEU 74 (0.94) kept Reference assignment not found: HN GLU- 75 - HN LEU 74 Peak 34 (1.23, 8.45, 129.16 ppm): 1 chemical-shift based assignment, quality = 0.881, support = 5.8, residual support = 76.4: HG LEU 74 - HN LEU 74 100.000% *100.0000% (0.88 5.80 76.40) = 100.000% kept Peak 35 (0.45, 8.45, 129.16 ppm): 3 chemical-shift based assignments, quality = 0.987, support = 5.44, residual support = 75.1: * QD2 LEU 74 - HN LEU 74 33.333% * 98.1188% (0.99 5.54 76.40) = 98.119% kept QG2 ILE 68 - HN LEU 74 33.333% * 1.7482% (0.99 0.10 5.42) = 1.748% kept QD2 LEU 43 - HN LEU 74 33.333% * 0.1330% (0.37 0.02 5.32) = 0.133% Peak 36 (3.94, 8.45, 129.16 ppm): 12 chemical-shift based assignments, quality = 0.772, support = 3.98, residual support = 62.2: O HA LEU 74 - HN LEU 74 8.333% * 80.6759% (0.76 10.0 4.63 76.40) = 80.676% kept HA ASN 89 - HN LEU 74 8.333% * 8.9870% (0.95 1.0 1.77 2.30) = 8.987% kept HA LYS+ 44 - HN LEU 74 8.333% * 3.7330% (0.92 1.0 0.76 3.69) = 3.733% kept HA1 GLY 114 - HN LEU 74 8.333% * 2.7700% (0.83 1.0 0.63 0.02) = 2.770% kept HA ILE 48 - HN LEU 74 8.333% * 1.7799% (0.19 1.0 1.76 5.70) = 1.780% kept HA VAL 122 - HN LEU 74 8.333% * 1.7374% (0.94 1.0 0.35 4.52) = 1.737% kept HB3 CYS 121 - HN LEU 74 8.333% * 0.0916% (0.86 1.0 0.02 4.62) = 0.092% HB3 SER 77 - HN LEU 74 8.333% * 0.0829% (0.78 1.0 0.02 0.02) = 0.083% HB THR 96 - HN LEU 74 8.333% * 0.0725% (0.68 1.0 0.02 0.43) = 0.073% HA ALA 93 - HN LEU 74 8.333% * 0.0326% (0.31 1.0 0.02 0.02) = 0.033% HA THR 96 - HN LEU 74 8.333% * 0.0209% (0.20 1.0 0.02 0.43) = 0.021% HB2 SER 77 - HN LEU 74 8.333% * 0.0163% (0.15 1.0 0.02 0.02) = 0.016% 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): 4 chemical-shift based assignments, quality = 0.982, support = 3.58, residual support = 22.5: * O HA GLN 102 - HN GLN 102 25.000% * 98.5384% (1.00 10.0 3.61 22.76) = 98.538% kept HA ASN 89 - HN GLN 102 25.000% * 1.2680% (0.15 1.0 1.73 3.02) = 1.268% kept HA ALA 33 - HN GLN 102 25.000% * 0.0985% (1.00 1.0 0.02 0.02) = 0.099% HA HIS+ 98 - HN GLN 102 25.000% * 0.0951% (0.96 1.0 0.02 0.02) = 0.095% Peak 40 (0.70, 8.91, 128.65 ppm): 11 chemical-shift based assignments, quality = 0.906, support = 3.25, residual support = 16.2: * QG2 ILE 101 - HN GLN 102 9.091% * 96.2950% (0.94 3.38 16.82) = 96.295% kept HG2 PRO 59 - HN GLN 102 9.091% * 0.5905% (0.98 0.02 0.13) = 0.590% HB2 LEU 9 - HN GLN 102 9.091% * 0.5905% (0.98 0.02 0.02) = 0.590% HG LEU 67 - HN GLN 102 9.091% * 0.5814% (0.96 0.02 0.02) = 0.581% QG2 ILE 48 - HN GLN 102 9.091% * 0.5225% (0.86 0.02 0.02) = 0.523% QD1 ILE 19 - HN GLN 102 9.091% * 0.3410% (0.56 0.02 0.02) = 0.341% QG2 VAL 94 - HN GLN 102 9.091% * 0.2932% (0.48 0.02 0.02) = 0.293% HG12 ILE 19 - HN GLN 102 9.091% * 0.2701% (0.45 0.02 0.02) = 0.270% QG2 VAL 40 - HN GLN 102 9.091% * 0.2477% (0.41 0.02 0.02) = 0.248% QD2 LEU 9 - HN GLN 102 9.091% * 0.1341% (0.22 0.02 0.02) = 0.134% QD1 ILE 68 - HN GLN 102 9.091% * 0.1341% (0.22 0.02 0.02) = 0.134% Peak 41 (1.90, 8.91, 128.65 ppm): 14 chemical-shift based assignments, quality = 0.906, support = 4.16, residual support = 21.7: O HB3 GLN 102 - HN GLN 102 7.143% * 95.3361% (0.92 10.0 4.32 22.76) = 95.336% kept HG2 GLU- 18 - HN GLN 102 7.143% * 3.9397% (0.76 1.0 1.00 0.60) = 3.940% kept HB3 MET 118 - HN GLN 102 7.143% * 0.1030% (0.99 1.0 0.02 0.02) = 0.103% HB3 GLU- 54 - HN GLN 102 7.143% * 0.0977% (0.94 1.0 0.02 0.02) = 0.098% HB3 CYS 123 - HN GLN 102 7.143% * 0.0977% (0.94 1.0 0.02 0.02) = 0.098% HD3 LYS+ 63 - HN GLN 102 7.143% * 0.0789% (0.76 1.0 0.02 0.02) = 0.079% HB3 GLN 16 - HN GLN 102 7.143% * 0.0668% (0.64 1.0 0.02 0.02) = 0.067% HB3 GLU- 56 - HN GLN 102 7.143% * 0.0543% (0.52 1.0 0.02 0.02) = 0.054% HB2 LEU 23 - HN GLN 102 7.143% * 0.0503% (0.48 1.0 0.02 0.46) = 0.050% HB2 GLU- 10 - HN GLN 102 7.143% * 0.0503% (0.48 1.0 0.02 0.02) = 0.050% HB3 PRO 35 - HN GLN 102 7.143% * 0.0388% (0.37 1.0 0.02 0.02) = 0.039% HG3 LYS+ 120 - HN GLN 102 7.143% * 0.0319% (0.31 1.0 0.02 0.02) = 0.032% HB3 ARG+ 84 - HN GLN 102 7.143% * 0.0287% (0.28 1.0 0.02 0.02) = 0.029% HB ILE 29 - HN GLN 102 7.143% * 0.0258% (0.25 1.0 0.02 0.02) = 0.026% Peak 42 (4.46, 8.91, 128.65 ppm): 12 chemical-shift based assignments, quality = 0.955, support = 3.15, residual support = 14.2: * O HA ILE 101 - HN GLN 102 8.333% * 78.6174% (0.99 10.0 3.54 16.82) = 78.617% kept HA ALA 103 - HN GLN 102 8.333% * 8.0304% (0.89 1.0 2.27 10.36) = 8.030% kept HA ILE 100 - HN GLN 102 8.333% * 5.5082% (0.99 1.0 1.41 0.02) = 5.508% kept HA ASN 89 - HN GLN 102 8.333% * 4.4725% (0.65 1.0 1.73 3.02) = 4.473% kept HA VAL 73 - HN GLN 102 8.333% * 3.0351% (0.65 1.0 1.18 0.02) = 3.035% kept HA GLU- 50 - HN GLN 102 8.333% * 0.0760% (0.96 1.0 0.02 0.02) = 0.076% HA PRO 86 - HN GLN 102 8.333% * 0.0760% (0.96 1.0 0.02 0.02) = 0.076% HA LYS+ 32 - HN GLN 102 8.333% * 0.0727% (0.92 1.0 0.02 0.02) = 0.073% HA VAL 99 - HN GLN 102 8.333% * 0.0683% (0.86 1.0 0.02 0.13) = 0.068% HB THR 24 - HN GLN 102 8.333% * 0.0156% (0.20 1.0 0.02 0.02) = 0.016% HA LYS+ 111 - HN GLN 102 8.333% * 0.0138% (0.17 1.0 0.02 0.02) = 0.014% HA ASN 76 - HN GLN 102 8.333% * 0.0138% (0.17 1.0 0.02 0.02) = 0.014% Peak 43 (0.53, 8.91, 128.65 ppm): 2 chemical-shift based assignments, quality = 0.84, support = 3.29, residual support = 16.8: * HG13 ILE 101 - HN GLN 102 50.000% * 84.2404% (0.96 3.34 16.82) = 84.240% kept QD1 ILE 101 - HN GLN 102 50.000% * 15.7596% (0.20 3.04 16.82) = 15.760% kept Peak 44 (2.14, 8.91, 128.65 ppm): 9 chemical-shift based assignments, quality = 0.9, support = 2.47, residual support = 15.0: * HG3 GLN 102 - HN GLN 102 11.111% * 65.5272% (0.99 3.35 22.76) = 65.527% kept HB3 GLU- 75 - HN GLN 102 11.111% * 17.7973% (0.74 1.21 0.11) = 17.797% kept HB VAL 47 - HN GLN 102 11.111% * 6.4720% (0.98 0.33 0.48) = 6.472% kept HB2 ASP- 28 - HN GLN 102 11.111% * 4.7516% (0.98 0.25 0.02) = 4.752% kept HA1 GLY 58 - HN GLN 102 11.111% * 3.1375% (0.23 0.68 0.02) = 3.138% kept HG2 PRO 104 - HN GLN 102 11.111% * 1.8545% (0.25 0.38 0.02) = 1.854% kept HB3 LYS+ 78 - HN GLN 102 11.111% * 0.3298% (0.83 0.02 0.02) = 0.330% HG3 GLU- 56 - HN GLN 102 11.111% * 0.0692% (0.17 0.02 0.02) = 0.069% HB3 LEU 43 - HN GLN 102 11.111% * 0.0609% (0.15 0.02 0.02) = 0.061% Peak 45 (4.23, 8.91, 128.65 ppm): 20 chemical-shift based assignments, quality = 0.74, support = 1.24, residual support = 1.61: HA ASN 89 - HN GLN 102 5.000% * 52.6535% (0.92 1.73 3.02) = 52.654% kept HA VAL 73 - HN GLN 102 5.000% * 14.9184% (0.38 1.18 0.02) = 14.918% kept HA SER 49 - HN GLN 102 5.000% * 13.3171% (0.98 0.41 0.02) = 13.317% kept HA PRO 59 - HN GLN 102 5.000% * 12.9846% (0.52 0.75 0.13) = 12.985% kept HA GLU- 18 - HN GLN 102 5.000% * 0.6510% (0.99 0.02 0.60) = 0.651% HA GLU- 54 - HN GLN 102 5.000% * 0.6214% (0.94 0.02 0.02) = 0.621% HA ALA 42 - HN GLN 102 5.000% * 0.5891% (0.89 0.02 0.02) = 0.589% HA LYS+ 110 - HN GLN 102 5.000% * 0.5698% (0.86 0.02 0.02) = 0.570% HA HIS+ 8 - HN GLN 102 5.000% * 0.5698% (0.86 0.02 0.02) = 0.570% HB3 SER 49 - HN GLN 102 5.000% * 0.5487% (0.83 0.02 0.02) = 0.549% HA GLU- 12 - HN GLN 102 5.000% * 0.5260% (0.80 0.02 0.02) = 0.526% HA ALA 11 - HN GLN 102 5.000% * 0.3984% (0.60 0.02 0.02) = 0.398% HB3 HIS+ 14 - HN GLN 102 5.000% * 0.3197% (0.48 0.02 0.02) = 0.320% HA LYS+ 108 - HN GLN 102 5.000% * 0.3197% (0.48 0.02 0.02) = 0.320% HA GLU- 109 - HN GLN 102 5.000% * 0.2700% (0.41 0.02 0.02) = 0.270% HA HIS+ 4 - HN GLN 102 5.000% * 0.2241% (0.34 0.02 0.02) = 0.224% HA2 GLY 114 - HN GLN 102 5.000% * 0.1638% (0.25 0.02 0.02) = 0.164% HA ASP- 82 - HN GLN 102 5.000% * 0.1300% (0.20 0.02 0.02) = 0.130% HA GLU- 56 - HN GLN 102 5.000% * 0.1150% (0.17 0.02 0.02) = 0.115% HA LYS+ 44 - HN GLN 102 5.000% * 0.1099% (0.17 0.02 0.02) = 0.110% Peak 46 (4.30, 8.39, 127.99 ppm): 11 chemical-shift based assignments, quality = 0.363, support = 2.09, residual support = 5.82: HA ASN 89 - HN ALA 103 9.091% * 44.7879% (0.36 2.90 8.16) = 44.788% kept * HA PRO 104 - HN ALA 103 9.091% * 26.8838% (0.42 1.49 7.42) = 26.884% kept HA VAL 73 - HN ALA 103 9.091% * 23.4396% (0.34 1.60 0.71) = 23.440% kept HA LEU 90 - HN ALA 103 9.091% * 3.0198% (0.30 0.23 0.02) = 3.020% kept HA ILE 29 - HN ALA 103 9.091% * 1.2159% (0.36 0.08 0.02) = 1.216% kept HA PRO 112 - HN ALA 103 9.091% * 0.2187% (0.25 0.02 0.02) = 0.219% HA THR 106 - HN ALA 103 9.091% * 0.2041% (0.24 0.02 0.02) = 0.204% HA ALA 91 - HN ALA 103 9.091% * 0.0631% (0.07 0.02 0.02) = 0.063% HA SER 85 - HN ALA 103 9.091% * 0.0556% (0.06 0.02 0.02) = 0.056% HD3 PRO 59 - HN ALA 103 9.091% * 0.0556% (0.06 0.02 0.02) = 0.056% HA PRO 52 - HN ALA 103 9.091% * 0.0556% (0.06 0.02 0.02) = 0.056% Peak 47 (8.38, 8.39, 127.99 ppm): 1 diagonal assignment: * HN ALA 103 - HN ALA 103 (0.24) kept Peak 48 (1.30, 8.39, 127.99 ppm): 5 chemical-shift based assignments, quality = 0.332, support = 2.49, residual support = 11.4: O QB ALA 103 - HN ALA 103 20.000% * 95.9168% (0.33 10.0 2.58 11.79) = 95.917% kept HG LEU 74 - HN ALA 103 20.000% * 2.1116% (0.29 1.0 0.50 0.02) = 2.112% kept QG2 THR 46 - HN ALA 103 20.000% * 1.6406% (0.39 1.0 0.29 3.90) = 1.641% kept HB3 LEU 74 - HN ALA 103 20.000% * 0.2394% (0.17 1.0 0.10 0.02) = 0.239% HB2 LYS+ 55 - HN ALA 103 20.000% * 0.0915% (0.32 1.0 0.02 0.46) = 0.092% 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): 12 chemical-shift based assignments, quality = 0.99, support = 4.08, residual support = 16.8: O HA ILE 100 - HN ILE 101 8.333% * 48.5657% (1.00 10.0 3.80 9.15) = 48.566% kept * O HA ILE 101 - HN ILE 101 8.333% * 48.4579% (1.00 10.0 4.54 25.40) = 48.458% kept HA VAL 99 - HN ILE 101 8.333% * 2.7029% (0.80 1.0 1.39 0.90) = 2.703% kept HA PRO 86 - HN ILE 101 8.333% * 0.0481% (0.99 1.0 0.02 0.02) = 0.048% HA LYS+ 32 - HN ILE 101 8.333% * 0.0469% (0.96 1.0 0.02 0.02) = 0.047% HA ALA 103 - HN ILE 101 8.333% * 0.0459% (0.94 1.0 0.02 1.36) = 0.046% HA GLU- 50 - HN ILE 101 8.333% * 0.0448% (0.92 1.0 0.02 0.02) = 0.045% HA ASN 89 - HN ILE 101 8.333% * 0.0317% (0.65 1.0 0.02 0.40) = 0.032% HA VAL 73 - HN ILE 101 8.333% * 0.0311% (0.64 1.0 0.02 0.49) = 0.031% HA ASN 76 - HN ILE 101 8.333% * 0.0108% (0.22 1.0 0.02 0.02) = 0.011% HB THR 24 - HN ILE 101 8.333% * 0.0075% (0.15 1.0 0.02 0.02) = 0.007% HA LYS+ 111 - HN ILE 101 8.333% * 0.0066% (0.14 1.0 0.02 0.02) = 0.007% Peak 51 (2.06, 8.74, 127.82 ppm): 14 chemical-shift based assignments, quality = 0.722, support = 1.1, residual support = 1.94: HB3 GLU- 75 - HN ILE 101 7.143% * 62.8432% (0.84 1.60 3.08) = 62.843% kept HG3 ARG+ 53 - HN ILE 101 7.143% * 7.9798% (0.92 0.18 0.02) = 7.980% kept HB2 GLU- 45 - HN ILE 101 7.143% * 7.0394% (0.73 0.21 0.02) = 7.039% kept HB2 LYS+ 110 - HN ILE 101 7.143% * 4.5027% (0.20 0.49 0.02) = 4.503% kept HB3 LYS+ 120 - HN ILE 101 7.143% * 4.4504% (0.61 0.16 0.02) = 4.450% kept HA1 GLY 58 - HN ILE 101 7.143% * 3.9558% (0.15 0.58 0.02) = 3.956% kept HB3 LYS+ 110 - HN ILE 101 7.143% * 2.8367% (0.25 0.24 0.02) = 2.837% kept HD3 LYS+ 110 - HN ILE 101 7.143% * 2.8367% (0.25 0.24 0.02) = 2.837% kept HB3 GLU- 10 - HN ILE 101 7.143% * 2.2986% (0.65 0.08 0.02) = 2.299% kept HB VAL 62 - HN ILE 101 7.143% * 0.4203% (0.45 0.02 0.02) = 0.420% HG3 PRO 86 - HN ILE 101 7.143% * 0.4203% (0.45 0.02 0.02) = 0.420% HB2 LEU 43 - HN ILE 101 7.143% * 0.1446% (0.15 0.02 0.02) = 0.145% HB3 GLU- 107 - HN ILE 101 7.143% * 0.1446% (0.15 0.02 0.02) = 0.145% HB VAL 125 - HN ILE 101 7.143% * 0.1269% (0.14 0.02 0.02) = 0.127% Peak 52 (0.85, 8.74, 127.82 ppm): 14 chemical-shift based assignments, quality = 0.938, support = 3.65, residual support = 22.7: * O HB ILE 101 - HN ILE 101 7.143% * 82.9674% (1.00 10.0 3.73 25.40) = 82.967% kept QG2 ILE 100 - HN ILE 101 7.143% * 11.2943% (0.76 1.0 3.56 9.15) = 11.294% kept HG LEU 74 - HN ILE 101 7.143% * 5.2925% (0.43 1.0 2.96 12.00) = 5.292% kept HG3 LYS+ 117 - HN ILE 101 7.143% * 0.0801% (0.96 1.0 0.02 0.02) = 0.080% HG2 LYS+ 117 - HN ILE 101 7.143% * 0.0720% (0.87 1.0 0.02 0.02) = 0.072% QD1 LEU 90 - HN ILE 101 7.143% * 0.0664% (0.80 1.0 0.02 0.02) = 0.066% QG2 VAL 13 - HN ILE 101 7.143% * 0.0664% (0.80 1.0 0.02 0.02) = 0.066% QG2 VAL 122 - HN ILE 101 7.143% * 0.0372% (0.45 1.0 0.02 0.02) = 0.037% QD1 ILE 29 - HN ILE 101 7.143% * 0.0341% (0.41 1.0 0.02 0.02) = 0.034% QG1 VAL 13 - HN ILE 101 7.143% * 0.0256% (0.31 1.0 0.02 0.02) = 0.026% QG1 VAL 40 - HN ILE 101 7.143% * 0.0185% (0.22 1.0 0.02 0.02) = 0.018% QG2 VAL 125 - HN ILE 101 7.143% * 0.0164% (0.20 1.0 0.02 0.02) = 0.016% QG2 VAL 47 - HN ILE 101 7.143% * 0.0145% (0.17 1.0 0.02 0.02) = 0.015% HG2 LYS+ 113 - HN ILE 101 7.143% * 0.0145% (0.17 1.0 0.02 0.02) = 0.015% Peak 53 (1.61, 8.74, 127.82 ppm): 10 chemical-shift based assignments, quality = 0.659, support = 4.22, residual support = 16.5: HG12 ILE 101 - HN ILE 101 10.000% * 50.4826% (0.65 5.02 25.40) = 50.483% kept * HB ILE 100 - HN ILE 101 10.000% * 40.6756% (0.65 4.05 9.15) = 40.676% kept HG3 LYS+ 110 - HN ILE 101 10.000% * 7.2797% (0.96 0.49 0.02) = 7.280% kept HG2 LYS+ 110 - HN ILE 101 10.000% * 0.3047% (0.98 0.02 0.02) = 0.305% HG3 LYS+ 78 - HN ILE 101 10.000% * 0.2869% (0.92 0.02 0.02) = 0.287% HB3 LEU 17 - HN ILE 101 10.000% * 0.2696% (0.87 0.02 0.02) = 0.270% HD3 LYS+ 32 - HN ILE 101 10.000% * 0.2375% (0.76 0.02 0.02) = 0.238% HB2 LEU 67 - HN ILE 101 10.000% * 0.2011% (0.65 0.02 0.02) = 0.201% HG LEU 23 - HN ILE 101 10.000% * 0.1760% (0.57 0.02 0.55) = 0.176% HB3 LYS+ 32 - HN ILE 101 10.000% * 0.0864% (0.28 0.02 0.02) = 0.086% Peak 54 (1.26, 8.74, 127.82 ppm): 3 chemical-shift based assignments, quality = 0.78, support = 2.81, residual support = 11.9: HG LEU 74 - HN ILE 101 33.333% * 93.0256% (0.83 2.96 12.00) = 93.026% kept HB3 LEU 74 - HN ILE 101 33.333% * 6.4218% (0.20 0.85 12.00) = 6.422% kept HG2 LYS+ 32 - HN ILE 101 33.333% * 0.5527% (0.73 0.02 0.02) = 0.553% Peak 55 (0.71, 8.74, 127.82 ppm): 14 chemical-shift based assignments, quality = 0.847, support = 4.28, residual support = 22.3: * QG2 ILE 101 - HN ILE 101 7.143% * 84.1089% (0.94 4.80 25.40) = 84.109% kept HG LEU 74 - HN ILE 101 7.143% * 7.9976% (0.15 2.96 12.00) = 7.998% kept QD2 LEU 9 - HN ILE 101 7.143% * 2.5145% (0.57 0.24 0.02) = 2.515% kept QG2 VAL 40 - HN ILE 101 7.143% * 2.1958% (0.80 0.15 0.02) = 2.196% kept QD1 ILE 68 - HN ILE 101 7.143% * 1.6310% (0.57 0.16 0.02) = 1.631% kept QG2 ILE 48 - HN ILE 101 7.143% * 0.3673% (0.99 0.02 0.02) = 0.367% HG2 PRO 59 - HN ILE 101 7.143% * 0.2545% (0.69 0.02 0.70) = 0.255% HB2 LEU 9 - HN ILE 101 7.143% * 0.2545% (0.69 0.02 0.02) = 0.255% HG LEU 67 - HN ILE 101 7.143% * 0.2397% (0.65 0.02 0.02) = 0.240% QD1 LEU 9 - HN ILE 101 7.143% * 0.1391% (0.37 0.02 0.02) = 0.139% HG3 LYS+ 66 - HN ILE 101 7.143% * 0.0924% (0.25 0.02 3.89) = 0.092% QD1 ILE 19 - HN ILE 101 7.143% * 0.0825% (0.22 0.02 0.02) = 0.083% QG2 VAL 94 - HN ILE 101 7.143% * 0.0649% (0.17 0.02 0.02) = 0.065% HG12 ILE 19 - HN ILE 101 7.143% * 0.0572% (0.15 0.02 0.02) = 0.057% Peak 56 (0.54, 8.74, 127.82 ppm): 2 chemical-shift based assignments, quality = 0.799, support = 4.34, residual support = 25.4: * HG13 ILE 101 - HN ILE 101 50.000% * 68.1895% (0.94 4.47 25.40) = 68.189% kept QD1 ILE 101 - HN ILE 101 50.000% * 31.8105% (0.49 4.05 25.40) = 31.811% kept Peak 57 (4.47, 8.36, 127.86 ppm): 12 chemical-shift based assignments, quality = 0.796, support = 2.51, residual support = 10.3: * O HA ALA 103 - HN ALA 103 8.333% * 80.9412% (0.84 10.0 2.58 11.79) = 80.941% kept HA ASN 89 - HN ALA 103 8.333% * 7.5990% (0.54 1.0 2.90 8.16) = 7.599% kept HA ILE 101 - HN ALA 103 8.333% * 7.0978% (0.77 1.0 1.90 1.36) = 7.098% kept HA VAL 73 - HN ALA 103 8.333% * 3.9535% (0.51 1.0 1.60 0.71) = 3.953% kept HA LYS+ 32 - HN ALA 103 8.333% * 0.0808% (0.84 1.0 0.02 0.02) = 0.081% HA PRO 86 - HN ALA 103 8.333% * 0.0793% (0.82 1.0 0.02 0.02) = 0.079% HA ILE 100 - HN ALA 103 8.333% * 0.0766% (0.79 1.0 0.02 0.02) = 0.077% HA GLU- 50 - HN ALA 103 8.333% * 0.0619% (0.64 1.0 0.02 0.02) = 0.062% HA VAL 99 - HN ALA 103 8.333% * 0.0491% (0.51 1.0 0.02 0.02) = 0.049% HA ASN 76 - HN ALA 103 8.333% * 0.0304% (0.31 1.0 0.02 0.02) = 0.030% HA CYS 123 - HN ALA 103 8.333% * 0.0180% (0.19 1.0 0.02 0.02) = 0.018% HA SER 77 - HN ALA 103 8.333% * 0.0125% (0.13 1.0 0.02 0.02) = 0.012% Peak 58 (1.29, 8.36, 127.86 ppm): 6 chemical-shift based assignments, quality = 0.339, support = 2.38, residual support = 10.9: O QB ALA 103 - HN ALA 103 16.667% * 91.0041% (0.31 10.0 2.58 11.79) = 91.004% kept HG LEU 74 - HN ALA 103 16.667% * 4.4604% (0.61 1.0 0.50 0.02) = 4.460% kept QG2 THR 46 - HN ALA 103 16.667% * 3.2408% (0.77 1.0 0.29 3.90) = 3.241% kept HB3 LEU 74 - HN ALA 103 16.667% * 0.9848% (0.70 1.0 0.10 0.02) = 0.985% HB2 LYS+ 55 - HN ALA 103 16.667% * 0.2425% (0.84 1.0 0.02 0.46) = 0.242% HG2 LYS+ 32 - HN ALA 103 16.667% * 0.0674% (0.23 1.0 0.02 0.02) = 0.067% Peak 59 (1.89, 8.36, 127.86 ppm): 10 chemical-shift based assignments, quality = 0.506, support = 2.65, residual support = 6.85: HB3 GLN 102 - HN ALA 103 10.000% * 64.7383% (0.38 3.76 10.36) = 64.738% kept HG2 GLU- 18 - HN ALA 103 10.000% * 28.3978% (0.83 0.75 0.49) = 28.398% kept HB3 GLN 16 - HN ALA 103 10.000% * 3.1837% (0.84 0.08 0.02) = 3.184% kept HB2 GLU- 10 - HN ALA 103 10.000% * 0.7268% (0.79 0.02 0.02) = 0.727% HB3 CYS 123 - HN ALA 103 10.000% * 0.6664% (0.73 0.02 0.02) = 0.666% HG3 LYS+ 120 - HN ALA 103 10.000% * 0.6152% (0.67 0.02 0.02) = 0.615% HB3 ARG+ 84 - HN ALA 103 10.000% * 0.5872% (0.64 0.02 0.02) = 0.587% HB3 MET 118 - HN ALA 103 10.000% * 0.4970% (0.54 0.02 0.02) = 0.497% HB3 GLU- 54 - HN ALA 103 10.000% * 0.3740% (0.41 0.02 0.02) = 0.374% HD3 LYS+ 63 - HN ALA 103 10.000% * 0.2136% (0.23 0.02 0.02) = 0.214% Peak 60 (8.35, 8.36, 127.86 ppm): 1 diagonal assignment: * HN ALA 103 - HN ALA 103 (0.38) kept Peak 61 (4.76, 8.36, 127.86 ppm): 9 chemical-shift based assignments, quality = 0.334, support = 1.71, residual support = 3.99: HA ASN 89 - HN ALA 103 11.111% * 48.4726% (0.23 2.90 8.16) = 48.473% kept HA ASN 15 - HN ALA 103 11.111% * 28.0714% (0.44 0.88 0.11) = 28.071% kept HA ASP- 115 - HN ALA 103 11.111% * 11.2029% (0.54 0.29 0.02) = 11.203% kept HA PRO 116 - HN ALA 103 11.111% * 9.0507% (0.41 0.31 0.02) = 9.051% kept HA VAL 40 - HN ALA 103 11.111% * 0.9275% (0.64 0.02 0.02) = 0.927% HA MET 118 - HN ALA 103 11.111% * 0.8337% (0.58 0.02 0.02) = 0.834% HA HIS+ 5 - HN ALA 103 11.111% * 0.8337% (0.58 0.02 0.02) = 0.834% HA LYS+ 113 - HN ALA 103 11.111% * 0.3374% (0.23 0.02 0.02) = 0.337% HA HIS+ 7 - HN ALA 103 11.111% * 0.2702% (0.19 0.02 0.02) = 0.270% Peak 62 (2.14, 8.36, 127.86 ppm): 8 chemical-shift based assignments, quality = 0.685, support = 1.89, residual support = 7.41: * HG3 GLN 102 - HN ALA 103 12.500% * 58.4373% (0.83 2.50 10.36) = 58.437% kept HG2 PRO 104 - HN ALA 103 12.500% * 15.1336% (0.31 1.71 7.42) = 15.134% kept HB VAL 47 - HN ALA 103 12.500% * 12.2828% (0.75 0.58 1.34) = 12.283% kept HA1 GLY 58 - HN ALA 103 12.500% * 6.9051% (0.20 1.22 0.95) = 6.905% kept HB2 ASP- 28 - HN ALA 103 12.500% * 5.9613% (0.75 0.28 0.02) = 5.961% kept HG3 GLN 16 - HN ALA 103 12.500% * 0.5008% (0.17 0.11 0.02) = 0.501% HB3 LYS+ 78 - HN ALA 103 12.500% * 0.4461% (0.79 0.02 0.02) = 0.446% HB3 GLU- 75 - HN ALA 103 12.500% * 0.3329% (0.59 0.02 0.02) = 0.333% Peak 63 (8.90, 8.36, 127.86 ppm): 2 chemical-shift based assignments, quality = 0.821, support = 3.4, residual support = 10.3: * HN GLN 102 - HN ALA 103 50.000% * 99.7960% (0.82 3.41 10.36) = 99.796% kept HN ASP- 36 - HN ALA 103 50.000% * 0.2040% (0.29 0.02 0.02) = 0.204% Peak 64 (0.20, 8.43, 127.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 65 (3.53, 8.43, 127.49 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 66 (8.95, 8.96, 127.54 ppm): 1 diagonal assignment: * HN MET 97 - HN MET 97 (0.76) kept Peak 67 (4.84, 8.96, 127.54 ppm): 4 chemical-shift based assignments, quality = 0.478, support = 1.48, residual support = 3.35: * O HA MET 97 - HN MET 97 25.000% * 96.5658% (0.49 10.0 1.51 3.46) = 96.566% kept HA THR 95 - HN MET 97 25.000% * 2.1160% (0.25 1.0 0.65 0.16) = 2.116% kept HA ASN 89 - HN MET 97 25.000% * 1.2722% (0.20 1.0 0.47 0.14) = 1.272% kept HA GLU- 107 - HN MET 97 25.000% * 0.0460% (0.18 1.0 0.02 0.02) = 0.046% Peak 68 (1.66, 8.96, 127.54 ppm): 8 chemical-shift based assignments, quality = 0.915, support = 2.14, residual support = 3.34: * O HB3 MET 97 - HN MET 97 12.500% * 96.5179% (0.92 10.0 2.20 3.46) = 96.518% kept HB3 ARG+ 22 - HN MET 97 12.500% * 2.7828% (0.87 1.0 0.61 0.02) = 2.783% kept HB2 HIS+ 8 - HN MET 97 12.500% * 0.4560% (1.00 1.0 0.09 0.02) = 0.456% HG3 ARG+ 84 - HN MET 97 12.500% * 0.1046% (1.00 1.0 0.02 0.02) = 0.105% HB3 MET 126 - HN MET 97 12.500% * 0.0759% (0.73 1.0 0.02 0.02) = 0.076% HB VAL 99 - HN MET 97 12.500% * 0.0233% (0.22 1.0 0.02 0.02) = 0.023% HD3 LYS+ 55 - HN MET 97 12.500% * 0.0233% (0.22 1.0 0.02 0.02) = 0.023% HG LEU 23 - HN MET 97 12.500% * 0.0161% (0.15 1.0 0.02 0.12) = 0.016% Peak 69 (0.69, 8.96, 127.54 ppm): 9 chemical-shift based assignments, quality = 0.951, support = 2.17, residual support = 4.35: QD1 ILE 19 - HN MET 97 11.111% * 39.1214% (1.00 2.62 5.55) = 39.121% kept HG12 ILE 19 - HN MET 97 11.111% * 38.1061% (0.97 2.63 5.55) = 38.106% kept QG2 VAL 94 - HN MET 97 11.111% * 13.2700% (0.98 0.90 0.47) = 13.270% kept HG LEU 67 - HN MET 97 11.111% * 3.4967% (0.76 0.31 0.02) = 3.497% kept HB2 LEU 9 - HN MET 97 11.111% * 2.9624% (0.73 0.27 0.02) = 2.962% kept HG2 PRO 59 - HN MET 97 11.111% * 1.9836% (0.73 0.18 0.02) = 1.984% kept QG2 ILE 101 - HN MET 97 11.111% * 0.5334% (0.41 0.09 0.02) = 0.533% QG2 ILE 48 - HN MET 97 11.111% * 0.3687% (0.31 0.08 0.02) = 0.369% QG1 VAL 62 - HN MET 97 11.111% * 0.1577% (0.53 0.02 0.02) = 0.158% Peak 70 (4.69, 8.96, 127.54 ppm): 8 chemical-shift based assignments, quality = 0.742, support = 0.303, residual support = 0.153: HA GLN 16 - HN MET 97 12.500% * 52.4129% (0.99 0.26 0.19) = 52.413% kept HA ASN 89 - HN MET 97 12.500% * 34.4552% (0.36 0.47 0.14) = 34.455% kept HA THR 61 - HN MET 97 12.500% * 4.0308% (1.00 0.02 0.02) = 4.031% kept HA ASN 119 - HN MET 97 12.500% * 4.0040% (0.99 0.02 0.02) = 4.004% kept HA TYR 83 - HN MET 97 12.500% * 2.7749% (0.69 0.02 0.02) = 2.775% kept HA ASP- 36 - HN MET 97 12.500% * 0.8994% (0.22 0.02 0.02) = 0.899% HA LYS+ 120 - HN MET 97 12.500% * 0.7995% (0.20 0.02 0.02) = 0.799% HA2 GLY 30 - HN MET 97 12.500% * 0.6233% (0.15 0.02 0.02) = 0.623% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 71 (4.94, 8.96, 127.54 ppm): 3 chemical-shift based assignments, quality = 0.4, support = 1.14, residual support = 3.77: HA HIS+ 98 - HN MET 97 33.333% * 66.7915% (0.45 1.26 5.40) = 66.791% kept HA ALA 33 - HN MET 97 33.333% * 32.4815% (0.31 0.89 0.50) = 32.481% kept HA GLN 102 - HN MET 97 33.333% * 0.7270% (0.31 0.02 0.02) = 0.727% Peak 72 (5.26, 8.96, 127.54 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 0.421, residual support = 0.421: 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 0.44 Peak unassigned. Peak 73 (8.60, 8.96, 127.54 ppm): 5 chemical-shift based assignments, quality = 0.943, support = 1.69, residual support = 2.87: HN LYS+ 20 - HN MET 97 20.000% * 95.7171% (0.98 1.75 3.00) = 95.717% kept HN SER 85 - HN MET 97 20.000% * 3.0157% (0.18 0.31 0.02) = 3.016% kept HN THR 39 - HN MET 97 20.000% * 0.4995% (0.45 0.02 0.02) = 0.499% HN VAL 80 - HN MET 97 20.000% * 0.4580% (0.41 0.02 0.02) = 0.458% HN VAL 73 - HN MET 97 20.000% * 0.3098% (0.28 0.02 0.17) = 0.310% 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): 9 chemical-shift based assignments, quality = 0.962, support = 0.973, residual support = 2.78: * O HA MET 126 - HN MET 126 11.111% * 96.1117% (0.97 10.0 1.00 2.90) = 96.112% kept HA ASN 89 - HN MET 126 11.111% * 3.3228% (0.93 1.0 0.36 0.02) = 3.323% kept HA GLU- 64 - HN MET 126 11.111% * 0.1724% (0.87 1.0 0.02 0.02) = 0.172% HA ASP- 82 - HN MET 126 11.111% * 0.1244% (0.63 1.0 0.02 0.02) = 0.124% HA GLU- 109 - HN MET 126 11.111% * 0.0721% (0.36 1.0 0.02 0.02) = 0.072% HB3 HIS+ 14 - HN MET 126 11.111% * 0.0593% (0.30 1.0 0.02 0.02) = 0.059% HA LYS+ 44 - HN MET 126 11.111% * 0.0559% (0.28 1.0 0.02 0.02) = 0.056% HA ALA 11 - HN MET 126 11.111% * 0.0428% (0.22 1.0 0.02 0.02) = 0.043% HA VAL 73 - HN MET 126 11.111% * 0.0387% (0.19 1.0 0.02 0.02) = 0.039% 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): 8 chemical-shift based assignments, quality = 0.986, support = 2.84, residual support = 13.7: * O HA ASP- 36 - HN ASP- 36 12.500% * 98.7646% (1.00 10.0 2.88 13.88) = 98.765% kept HA ASN 89 - HN ASP- 36 12.500% * 0.9256% (0.39 1.0 0.48 0.19) = 0.926% HA LYS+ 120 - HN ASP- 36 12.500% * 0.0985% (1.00 1.0 0.02 0.02) = 0.099% HA LYS+ 20 - HN ASP- 36 12.500% * 0.0791% (0.80 1.0 0.02 0.02) = 0.079% HA TYR 83 - HN ASP- 36 12.500% * 0.0678% (0.69 1.0 0.02 0.02) = 0.068% HA ASN 119 - HN ASP- 36 12.500% * 0.0275% (0.28 1.0 0.02 0.02) = 0.027% HA THR 61 - HN ASP- 36 12.500% * 0.0195% (0.20 1.0 0.02 0.02) = 0.020% HA GLN 16 - HN ASP- 36 12.500% * 0.0173% (0.17 1.0 0.02 0.02) = 0.017% Peak 84 (2.64, 8.88, 126.48 ppm): 6 chemical-shift based assignments, quality = 0.132, support = 3.02, residual support = 13.6: * O HB3 ASP- 36 - HN ASP- 36 16.667% * 97.9903% (0.14 10.0 3.08 13.88) = 97.990% kept HA1 GLY 58 - HN ASP- 36 16.667% * 0.7240% (1.00 1.0 0.02 0.02) = 0.724% HB3 ASP- 82 - HN ASP- 36 16.667% * 0.7176% (0.99 1.0 0.02 0.02) = 0.718% HE2 LYS+ 20 - HN ASP- 36 16.667% * 0.2235% (0.31 1.0 0.02 0.02) = 0.223% HB2 ASP- 25 - HN ASP- 36 16.667% * 0.2013% (0.28 1.0 0.02 0.02) = 0.201% HE2 LYS+ 120 - HN ASP- 36 16.667% * 0.1433% (0.20 1.0 0.02 0.02) = 0.143% 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 = 0.889, support = 3.08, residual support = 13.9: * O HB2 ASP- 36 - HN ASP- 36 20.000% * 87.2101% (1.00 10.0 3.08 13.88) = 87.210% kept O HB3 ASP- 36 - HN ASP- 36 20.000% * 12.6378% (0.14 10.0 3.08 13.88) = 12.638% kept HA1 GLY 58 - HN ASP- 36 20.000% * 0.0804% (0.92 1.0 0.02 0.02) = 0.080% HB2 ASP- 115 - HN ASP- 36 20.000% * 0.0599% (0.69 1.0 0.02 0.02) = 0.060% HB3 LYS+ 81 - HN ASP- 36 20.000% * 0.0118% (0.14 1.0 0.02 0.02) = 0.012% Peak 87 (4.28, 8.88, 126.48 ppm): 15 chemical-shift based assignments, quality = 0.855, support = 0.316, residual support = 0.0922: HA ASN 89 - HN ASP- 36 6.667% * 43.8428% (0.88 0.48 0.19) = 43.843% kept HD3 PRO 59 - HN ASP- 36 6.667% * 28.6375% (0.92 0.30 0.02) = 28.638% kept HA LEU 90 - HN ASP- 36 6.667% * 11.7261% (0.76 0.15 0.02) = 11.726% kept HA ALA 91 - HN ASP- 36 6.667% * 1.9674% (0.94 0.02 0.02) = 1.967% kept HA SER 85 - HN ASP- 36 6.667% * 1.9199% (0.92 0.02 0.02) = 1.920% kept HA PRO 52 - HN ASP- 36 6.667% * 1.9199% (0.92 0.02 0.02) = 1.920% kept HA THR 106 - HN ASP- 36 6.667% * 1.8653% (0.90 0.02 0.02) = 1.865% kept HA VAL 65 - HN ASP- 36 6.667% * 1.8041% (0.87 0.02 0.02) = 1.804% kept HA ARG+ 84 - HN ASP- 36 6.667% * 1.7372% (0.83 0.02 0.02) = 1.737% kept HA VAL 73 - HN ASP- 36 6.667% * 1.4176% (0.68 0.02 0.02) = 1.418% kept HA GLU- 75 - HN ASP- 36 6.667% * 1.0943% (0.53 0.02 0.02) = 1.094% kept HA PRO 104 - HN ASP- 36 6.667% * 0.6419% (0.31 0.02 0.02) = 0.642% HA GLU- 56 - HN ASP- 36 6.667% * 0.6419% (0.31 0.02 0.02) = 0.642% HA2 GLY 114 - HN ASP- 36 6.667% * 0.4630% (0.22 0.02 0.02) = 0.463% HA HIS+ 4 - HN ASP- 36 6.667% * 0.3209% (0.15 0.02 0.02) = 0.321% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 88 (7.76, 8.88, 126.48 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 4.35, residual support = 17.8: * T HN ALA 37 - HN ASP- 36 25.000% * 99.7811% (1.00 10.00 4.36 17.79) = 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 = 0.985, support = 1.89, residual support = 1.89: * O HB3 PRO 35 - HN ASP- 36 7.143% * 98.5924% (1.00 10.0 1.91 1.92) = 98.592% kept HB2 GLU- 75 - HN ASP- 36 7.143% * 0.6351% (0.45 1.0 0.27 0.02) = 0.635% HB2 LEU 23 - HN ASP- 36 7.143% * 0.1010% (0.98 1.0 0.02 0.02) = 0.101% HB3 GLU- 56 - HN ASP- 36 7.143% * 0.0995% (0.96 1.0 0.02 0.02) = 0.099% HB ILE 29 - HN ASP- 36 7.143% * 0.0995% (0.96 1.0 0.02 0.02) = 0.099% HD3 LYS+ 63 - HN ASP- 36 7.143% * 0.0825% (0.80 1.0 0.02 0.02) = 0.083% HB2 PRO 116 - HN ASP- 36 7.143% * 0.0788% (0.76 1.0 0.02 0.02) = 0.079% HG2 PRO 112 - HN ASP- 36 7.143% * 0.0708% (0.69 1.0 0.02 0.02) = 0.071% HB3 GLN 102 - HN ASP- 36 7.143% * 0.0625% (0.61 1.0 0.02 0.02) = 0.063% HB3 GLU- 54 - HN ASP- 36 7.143% * 0.0583% (0.57 1.0 0.02 0.02) = 0.058% HB3 MET 118 - HN ASP- 36 7.143% * 0.0424% (0.41 1.0 0.02 0.02) = 0.042% HB3 LYS+ 55 - HN ASP- 36 7.143% * 0.0287% (0.28 1.0 0.02 0.02) = 0.029% HG3 PRO 31 - HN ASP- 36 7.143% * 0.0257% (0.25 1.0 0.02 0.02) = 0.026% HB3 CYS 123 - HN ASP- 36 7.143% * 0.0229% (0.22 1.0 0.02 0.02) = 0.023% Peak 90 (2.10, 8.88, 126.48 ppm): 11 chemical-shift based assignments, quality = 0.897, support = 0.472, residual support = 0.329: HB VAL 87 - HN ASP- 36 9.091% * 40.2884% (0.90 0.73 0.79) = 40.288% kept HB VAL 65 - HN ASP- 36 9.091% * 19.6928% (0.92 0.35 0.02) = 19.693% kept HB3 LEU 43 - HN ASP- 36 9.091% * 19.0894% (0.94 0.33 0.02) = 19.089% kept HB3 GLU- 75 - HN ASP- 36 9.091% * 16.6324% (0.98 0.27 0.02) = 16.632% kept HG3 GLU- 56 - HN ASP- 36 9.091% * 1.1340% (0.92 0.02 0.02) = 1.134% kept HB VAL 125 - HN ASP- 36 9.091% * 0.7947% (0.65 0.02 0.02) = 0.795% HB2 LEU 43 - HN ASP- 36 9.091% * 0.7451% (0.61 0.02 0.02) = 0.745% HB2 LYS+ 110 - HN ASP- 36 9.091% * 0.6463% (0.53 0.02 0.02) = 0.646% HD3 LYS+ 110 - HN ASP- 36 9.091% * 0.5508% (0.45 0.02 0.02) = 0.551% HA1 GLY 58 - HN ASP- 36 9.091% * 0.2366% (0.19 0.02 0.02) = 0.237% HB3 LYS+ 120 - HN ASP- 36 9.091% * 0.1895% (0.15 0.02 0.02) = 0.190% Peak 91 (4.26, 8.78, 126.61 ppm): 17 chemical-shift based assignments, quality = 0.754, support = 1.76, residual support = 1.26: HA ASN 89 - HN THR 95 5.882% * 37.6370% (0.89 2.69 2.27) = 37.637% kept HA VAL 73 - HN THR 95 5.882% * 21.1935% (0.58 2.32 1.43) = 21.193% kept HD3 PRO 59 - HN THR 95 5.882% * 12.9575% (0.80 1.04 0.50) = 12.958% kept HA PRO 59 - HN THR 95 5.882% * 6.8175% (0.48 0.90 0.50) = 6.817% kept HA ARG+ 84 - HN THR 95 5.882% * 5.4380% (0.89 0.39 0.02) = 5.438% kept HA SER 85 - HN THR 95 5.882% * 4.6700% (0.80 0.37 0.02) = 4.670% kept HA ALA 91 - HN THR 95 5.882% * 4.4010% (0.76 0.37 0.02) = 4.401% kept HA LYS+ 108 - HN THR 95 5.882% * 2.1006% (0.52 0.26 0.02) = 2.101% kept HA GLU- 75 - HN THR 95 5.882% * 1.8663% (0.99 0.12 0.02) = 1.866% kept HA VAL 65 - HN THR 95 5.882% * 1.2044% (0.86 0.09 0.02) = 1.204% kept HA LEU 90 - HN THR 95 5.882% * 0.5607% (0.20 0.18 0.02) = 0.561% HA GLU- 56 - HN THR 95 5.882% * 0.2802% (0.89 0.02 0.02) = 0.280% HA2 GLY 114 - HN THR 95 5.882% * 0.2502% (0.80 0.02 0.02) = 0.250% HA PRO 52 - HN THR 95 5.882% * 0.2502% (0.80 0.02 0.02) = 0.250% HA HIS+ 4 - HN THR 95 5.882% * 0.2146% (0.68 0.02 0.22) = 0.215% HA THR 106 - HN THR 95 5.882% * 0.0964% (0.31 0.02 0.02) = 0.096% HA HIS+ 8 - HN THR 95 5.882% * 0.0618% (0.20 0.02 0.02) = 0.062% 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): 8 chemical-shift based assignments, quality = 0.989, support = 2.49, residual support = 10.4: * O HB THR 95 - HN THR 95 12.500% * 87.9082% (1.00 10.0 2.48 11.56) = 87.908% kept HA ASN 89 - HN THR 95 12.500% * 11.6786% (0.98 1.0 2.69 2.27) = 11.679% kept HA1 GLY 92 - HN THR 95 12.500% * 0.0879% (1.00 1.0 0.02 0.02) = 0.088% HA LYS+ 44 - HN THR 95 12.500% * 0.0879% (0.99 1.0 0.02 0.02) = 0.088% HB3 SER 77 - HN THR 95 12.500% * 0.0868% (0.98 1.0 0.02 0.02) = 0.087% HB3 HIS+ 5 - HN THR 95 12.500% * 0.0672% (0.76 1.0 0.02 0.02) = 0.067% HB THR 39 - HN THR 95 12.500% * 0.0638% (0.72 1.0 0.02 0.02) = 0.064% HA ALA 93 - HN THR 95 12.500% * 0.0196% (0.22 1.0 0.02 0.02) = 0.020% Peak 94 (0.67, 8.78, 126.61 ppm): 4 chemical-shift based assignments, quality = 0.398, support = 2.38, residual support = 3.79: QG2 VAL 94 - HN THR 95 25.000% * 48.5228% (0.41 3.10 5.76) = 48.523% kept HG12 ILE 19 - HN THR 95 25.000% * 25.4708% (0.45 1.49 1.95) = 25.471% kept QD1 ILE 19 - HN THR 95 25.000% * 25.3028% (0.34 1.95 1.95) = 25.303% kept QG1 VAL 62 - HN THR 95 25.000% * 0.7036% (0.92 0.02 0.02) = 0.704% Peak 95 (1.07, 8.78, 126.61 ppm): 3 chemical-shift based assignments, quality = 0.718, support = 2.35, residual support = 7.82: QG2 THR 95 - HN THR 95 33.333% * 66.9897% (0.60 3.04 11.56) = 66.990% kept HG LEU 74 - HN THR 95 33.333% * 32.8983% (0.95 0.95 0.24) = 32.898% kept QG2 THR 79 - HN THR 95 33.333% * 0.1119% (0.15 0.02 0.02) = 0.112% Peak 96 (4.86, 8.78, 126.61 ppm): 4 chemical-shift based assignments, quality = 0.967, support = 3.39, residual support = 11.1: * O HA THR 95 - HN THR 95 25.000% * 95.0016% (0.99 10.0 3.49 11.56) = 95.002% kept HA ILE 19 - HN THR 95 25.000% * 2.5754% (0.76 1.0 0.71 1.95) = 2.575% kept HA ASN 89 - HN THR 95 25.000% * 2.3729% (0.18 1.0 2.69 2.27) = 2.373% kept HA SER 69 - HN THR 95 25.000% * 0.0501% (0.52 1.0 0.02 0.02) = 0.050% Peak 97 (4.40, 8.78, 126.61 ppm): 12 chemical-shift based assignments, quality = 0.824, support = 2.11, residual support = 1.42: HA VAL 73 - HN THR 95 8.333% * 40.1271% (0.95 2.32 1.43) = 40.127% kept HA ASN 89 - HN THR 95 8.333% * 36.1282% (0.74 2.69 2.27) = 36.128% kept HA SER 88 - HN THR 95 8.333% * 17.6772% (0.92 1.05 0.12) = 17.677% kept HA LYS+ 60 - HN THR 95 8.333% * 3.0203% (0.28 0.60 0.02) = 3.020% kept HA LYS+ 66 - HN THR 95 8.333% * 1.9156% (0.37 0.28 0.02) = 1.916% kept HA THR 24 - HN THR 95 8.333% * 0.2350% (0.64 0.02 0.02) = 0.235% HA TRP 51 - HN THR 95 8.333% * 0.2203% (0.60 0.02 0.02) = 0.220% HA HIS+ 14 - HN THR 95 8.333% * 0.2203% (0.60 0.02 0.02) = 0.220% HA ASN 57 - HN THR 95 8.333% * 0.1363% (0.37 0.02 0.02) = 0.136% HA ALA 37 - HN THR 95 8.333% * 0.1239% (0.34 0.02 0.02) = 0.124% HA CYS 121 - HN THR 95 8.333% * 0.1239% (0.34 0.02 0.02) = 0.124% HA THR 38 - HN THR 95 8.333% * 0.0719% (0.20 0.02 0.02) = 0.072% Peak 98 (1.84, 8.78, 126.61 ppm): 9 chemical-shift based assignments, quality = 0.775, support = 1.67, residual support = 0.728: HB3 LYS+ 72 - HN THR 95 11.111% * 41.6395% (0.83 2.64 0.90) = 41.639% kept HB3 PRO 59 - HN THR 95 11.111% * 19.4848% (0.94 1.09 0.50) = 19.485% kept HB2 PRO 59 - HN THR 95 11.111% * 15.5753% (0.80 1.03 0.50) = 15.575% kept HB VAL 73 - HN THR 95 11.111% * 9.9013% (0.45 1.17 1.43) = 9.901% kept HB2 PRO 104 - HN THR 95 11.111% * 8.8153% (0.80 0.58 0.02) = 8.815% kept HD3 LYS+ 72 - HN THR 95 11.111% * 3.7197% (0.20 0.99 0.90) = 3.720% kept HB2 LYS+ 66 - HN THR 95 11.111% * 0.3773% (0.99 0.02 0.02) = 0.377% HG3 PRO 112 - HN THR 95 11.111% * 0.3577% (0.94 0.02 0.02) = 0.358% HD3 LYS+ 117 - HN THR 95 11.111% * 0.1290% (0.34 0.02 0.02) = 0.129% 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): 1 diagonal assignment: HD22 ASN 89 - HD22 ASN 89 (0.87) kept 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 Reference assignment not found: HN VAL 125 - HN SER 124 Peak 113 (3.88, 7.75, 125.98 ppm): 24 chemical-shift based assignments, quality = 0.823, support = 0.951, residual support = 1.54: * O HA VAL 125 - HN VAL 125 4.167% * 94.6408% (0.85 10.0 1.00 1.63) = 94.641% kept HA VAL 125 - HN SER 124 4.167% * 2.1351% (0.81 1.0 0.24 0.02) = 2.135% kept HA ASN 89 - HN VAL 125 4.167% * 0.9975% (0.79 1.0 0.11 0.02) = 0.997% HD2 PRO 116 - HN VAL 125 4.167% * 0.1876% (0.84 1.0 0.02 0.02) = 0.188% HD2 PRO 86 - HN VAL 125 4.167% * 0.1827% (0.82 1.0 0.02 0.02) = 0.183% HD2 PRO 116 - HN SER 124 4.167% * 0.1785% (0.80 1.0 0.02 0.02) = 0.178% HD2 PRO 86 - HN SER 124 4.167% * 0.1738% (0.78 1.0 0.02 0.02) = 0.174% HB2 SER 85 - HN VAL 125 4.167% * 0.1698% (0.76 1.0 0.02 0.02) = 0.170% HA ASN 89 - HN SER 124 4.167% * 0.1661% (0.75 1.0 0.02 0.02) = 0.166% HB2 SER 85 - HN SER 124 4.167% * 0.1615% (0.73 1.0 0.02 0.02) = 0.161% HA LYS+ 44 - HN VAL 125 4.167% * 0.1347% (0.61 1.0 0.02 0.02) = 0.135% HA LYS+ 44 - HN SER 124 4.167% * 0.1281% (0.58 1.0 0.02 0.02) = 0.128% HA VAL 87 - HN VAL 125 4.167% * 0.1148% (0.52 1.0 0.02 0.02) = 0.115% HA VAL 87 - HN SER 124 4.167% * 0.1092% (0.49 1.0 0.02 0.02) = 0.109% HB3 SER 88 - HN VAL 125 4.167% * 0.0921% (0.41 1.0 0.02 0.02) = 0.092% HB3 SER 88 - HN SER 124 4.167% * 0.0876% (0.39 1.0 0.02 0.02) = 0.088% HA ILE 48 - HN VAL 125 4.167% * 0.0716% (0.32 1.0 0.02 0.02) = 0.072% HA ILE 48 - HN SER 124 4.167% * 0.0681% (0.31 1.0 0.02 0.02) = 0.068% HB3 SER 77 - HN VAL 125 4.167% * 0.0443% (0.20 1.0 0.02 0.02) = 0.044% HB3 SER 77 - HN SER 124 4.167% * 0.0421% (0.19 1.0 0.02 0.02) = 0.042% HB2 SER 77 - HN VAL 125 4.167% * 0.0292% (0.13 1.0 0.02 0.02) = 0.029% HD3 PRO 86 - HN VAL 125 4.167% * 0.0292% (0.13 1.0 0.02 0.02) = 0.029% HD3 PRO 86 - HN SER 124 4.167% * 0.0278% (0.12 1.0 0.02 0.02) = 0.028% HB2 SER 77 - HN SER 124 4.167% * 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): 26 chemical-shift based assignments, quality = 0.643, support = 0.95, residual support = 0.869: * O HA CYS 123 - HN SER 124 3.846% * 94.5345% (0.67 10.0 1.00 0.92) = 94.534% kept HA CYS 123 - HN VAL 125 3.846% * 2.1221% (0.63 1.0 0.24 0.02) = 2.122% kept HA ASN 89 - HN VAL 125 3.846% * 0.7974% (0.49 1.0 0.11 0.02) = 0.797% HA ASN 76 - HN SER 124 3.846% * 0.2234% (0.79 1.0 0.02 0.02) = 0.223% HA ASN 76 - HN VAL 125 3.846% * 0.2114% (0.74 1.0 0.02 0.02) = 0.211% HA SER 77 - HN SER 124 3.846% * 0.1622% (0.57 1.0 0.02 0.02) = 0.162% HA SER 77 - HN VAL 125 3.846% * 0.1535% (0.54 1.0 0.02 0.02) = 0.154% HA ASN 89 - HN SER 124 3.846% * 0.1474% (0.52 1.0 0.02 0.02) = 0.147% HA ALA 103 - HN SER 124 3.846% * 0.1337% (0.47 1.0 0.02 0.02) = 0.134% HA ALA 103 - HN VAL 125 3.846% * 0.1265% (0.45 1.0 0.02 0.02) = 0.127% HA LYS+ 32 - HN SER 124 3.846% * 0.1242% (0.44 1.0 0.02 0.02) = 0.124% HA VAL 73 - HN SER 124 3.846% * 0.1213% (0.43 1.0 0.02 0.02) = 0.121% HA LYS+ 32 - HN VAL 125 3.846% * 0.1176% (0.41 1.0 0.02 0.02) = 0.118% HA VAL 73 - HN VAL 125 3.846% * 0.1148% (0.40 1.0 0.02 0.02) = 0.115% HA PRO 86 - HN SER 124 3.846% * 0.1059% (0.37 1.0 0.02 0.02) = 0.106% HA PRO 86 - HN VAL 125 3.846% * 0.1002% (0.35 1.0 0.02 0.02) = 0.100% HA ILE 100 - HN SER 124 3.846% * 0.0886% (0.31 1.0 0.02 0.02) = 0.089% HA ILE 100 - HN VAL 125 3.846% * 0.0839% (0.30 1.0 0.02 0.02) = 0.084% HA ILE 101 - HN SER 124 3.846% * 0.0805% (0.28 1.0 0.02 0.02) = 0.081% HA ILE 101 - HN VAL 125 3.846% * 0.0762% (0.27 1.0 0.02 0.02) = 0.076% HA LYS+ 55 - HN SER 124 3.846% * 0.0729% (0.26 1.0 0.02 0.02) = 0.073% HB THR 46 - HN SER 124 3.846% * 0.0729% (0.26 1.0 0.02 0.02) = 0.073% HA LYS+ 55 - HN VAL 125 3.846% * 0.0690% (0.24 1.0 0.02 0.02) = 0.069% HB THR 46 - HN VAL 125 3.846% * 0.0690% (0.24 1.0 0.02 0.02) = 0.069% HA GLU- 50 - HN SER 124 3.846% * 0.0467% (0.16 1.0 0.02 0.02) = 0.047% HA GLU- 50 - HN VAL 125 3.846% * 0.0442% (0.16 1.0 0.02 0.02) = 0.044% 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): 4 chemical-shift based assignments, quality = 0.982, support = 3.06, residual support = 15.0: * O HA ILE 19 - HN LYS+ 20 25.000% * 95.8068% (1.00 10.0 3.15 15.62) = 95.807% kept HA THR 95 - HN LYS+ 20 25.000% * 2.8098% (0.80 1.0 0.73 0.02) = 2.810% kept HA ASN 89 - HN LYS+ 20 25.000% * 1.2949% (0.18 1.0 1.53 0.70) = 1.295% kept HA SER 69 - HN LYS+ 20 25.000% * 0.0884% (0.92 1.0 0.02 0.02) = 0.088% Peak 125 (0.00, 8.60, 125.48 ppm): 1 chemical-shift based assignment, quality = 0.999, support = 4.0, residual support = 15.6: * QG2 ILE 19 - HN LYS+ 20 100.000% *100.0000% (1.00 4.00 15.62) = 100.000% kept Peak 126 (0.67, 8.60, 125.48 ppm): 7 chemical-shift based assignments, quality = 0.617, support = 3.42, residual support = 13.2: HG12 ILE 19 - HN LYS+ 20 14.286% * 41.2616% (0.65 3.76 15.62) = 41.262% kept QD1 ILE 19 - HN LYS+ 20 14.286% * 38.7851% (0.53 4.34 15.62) = 38.785% kept QG2 VAL 94 - HN LYS+ 20 14.286% * 12.8810% (0.61 1.25 5.49) = 12.881% kept QG1 VAL 62 - HN LYS+ 20 14.286% * 6.9280% (1.00 0.41 0.02) = 6.928% kept HG LEU 67 - HN LYS+ 20 14.286% * 0.0524% (0.15 0.02 0.02) = 0.052% HB2 LEU 9 - HN LYS+ 20 14.286% * 0.0460% (0.14 0.02 0.02) = 0.046% HG2 PRO 59 - HN LYS+ 20 14.286% * 0.0460% (0.14 0.02 0.02) = 0.046% Peak 127 (1.35, 8.60, 125.48 ppm): 11 chemical-shift based assignments, quality = 0.599, support = 4.01, residual support = 18.6: O HB3 LYS+ 20 - HN LYS+ 20 9.091% * 38.2954% (0.41 10.0 4.10 19.76) = 38.295% kept HG13 ILE 19 - HN LYS+ 20 9.091% * 20.3177% (0.98 1.0 4.45 15.62) = 20.318% kept * HG3 LYS+ 20 - HN LYS+ 20 9.091% * 18.7451% (0.96 1.0 4.17 19.76) = 18.745% kept O HB2 LYS+ 20 - HN LYS+ 20 9.091% * 16.3136% (0.17 10.0 3.79 19.76) = 16.314% kept HG LEU 74 - HN LYS+ 20 9.091% * 5.9809% (0.56 1.0 2.29 16.13) = 5.981% kept HG3 ARG+ 22 - HN LYS+ 20 9.091% * 0.0899% (0.96 1.0 0.02 0.96) = 0.090% QB ALA 91 - HN LYS+ 20 9.091% * 0.0778% (0.83 1.0 0.02 0.02) = 0.078% HB2 LEU 17 - HN LYS+ 20 9.091% * 0.0712% (0.76 1.0 0.02 0.02) = 0.071% QB ALA 11 - HN LYS+ 20 9.091% * 0.0527% (0.57 1.0 0.02 0.02) = 0.053% HG2 LYS+ 78 - HN LYS+ 20 9.091% * 0.0350% (0.37 1.0 0.02 0.02) = 0.035% QG2 THR 39 - HN LYS+ 20 9.091% * 0.0207% (0.22 1.0 0.02 0.02) = 0.021% Peak 128 (4.79, 8.60, 125.48 ppm): 6 chemical-shift based assignments, quality = 0.591, support = 0.916, residual support = 0.407: HA ASP- 115 - HN LYS+ 20 16.667% * 47.3563% (0.87 0.47 0.17) = 47.356% kept HA ASN 89 - HN LYS+ 20 16.667% * 45.3806% (0.25 1.53 0.70) = 45.381% kept HA LYS+ 113 - HN LYS+ 20 16.667% * 2.3221% (0.99 0.02 0.02) = 2.322% kept HA PRO 116 - HN LYS+ 20 16.667% * 2.2610% (0.96 0.02 0.12) = 2.261% kept HA ASN 15 - HN LYS+ 20 16.667% * 2.2163% (0.94 0.02 0.27) = 2.216% kept HA GLU- 107 - HN LYS+ 20 16.667% * 0.4637% (0.20 0.02 0.02) = 0.464% Peak 129 (1.02, 8.60, 125.48 ppm): 4 chemical-shift based assignments, quality = 0.706, support = 2.76, residual support = 16.7: HG LEU 74 - HN LYS+ 20 25.000% * 49.5915% (0.87 2.29 16.13) = 49.592% kept * HG2 LYS+ 20 - HN LYS+ 20 25.000% * 44.2338% (0.49 3.66 19.76) = 44.234% kept HG13 ILE 100 - HN LYS+ 20 25.000% * 4.5834% (1.00 0.19 0.11) = 4.583% kept QG1 VAL 99 - HN LYS+ 20 25.000% * 1.5913% (0.76 0.08 0.02) = 1.591% kept Peak 130 (4.65, 8.60, 125.48 ppm): 5 chemical-shift based assignments, quality = 0.979, support = 2.74, residual support = 19.2: * O HA LYS+ 20 - HN LYS+ 20 20.000% * 96.8278% (1.00 10.0 2.78 19.76) = 96.828% kept HA ASN 89 - HN LYS+ 20 20.000% * 2.9839% (0.40 1.0 1.53 0.70) = 2.984% kept HA LYS+ 120 - HN LYS+ 20 20.000% * 0.0809% (0.83 1.0 0.02 0.02) = 0.081% HA ASP- 36 - HN LYS+ 20 20.000% * 0.0775% (0.80 1.0 0.02 0.02) = 0.078% HA TYR 83 - HN LYS+ 20 20.000% * 0.0299% (0.31 1.0 0.02 0.02) = 0.030% 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 = 1.56, residual support = 5.56: * O HA PHE 21 - HN ARG+ 22 100.000% *100.0000% (0.92 10.0 1.56 5.56) = 100.000% kept Peak 134 (1.20, 8.94, 125.29 ppm): 2 chemical-shift based assignments, quality = 0.706, support = 1.22, residual support = 1.6: HB ILE 68 - HN ARG+ 22 50.000% * 62.1258% (0.57 1.60 1.61) = 62.126% kept HG LEU 74 - HN ARG+ 22 50.000% * 37.8742% (0.94 0.59 1.59) = 37.874% kept Peak 135 (0.94, 8.94, 125.29 ppm): 10 chemical-shift based assignments, quality = 0.827, support = 1.69, residual support = 2.77: QG2 ILE 29 - HN ARG+ 22 10.000% * 31.9251% (0.80 2.37 3.88) = 31.925% kept HG12 ILE 29 - HN ARG+ 22 10.000% * 28.7863% (0.90 1.91 3.88) = 28.786% kept HG12 ILE 68 - HN ARG+ 22 10.000% * 19.2735% (0.80 1.43 1.61) = 19.274% kept QD1 LEU 17 - HN ARG+ 22 10.000% * 10.7546% (0.99 0.64 0.02) = 10.755% kept HG LEU 74 - HN ARG+ 22 10.000% * 6.5965% (0.66 0.59 1.59) = 6.597% kept QG2 VAL 73 - HN ARG+ 22 10.000% * 1.6002% (0.57 0.17 0.02) = 1.600% kept QG1 VAL 105 - HN ARG+ 22 10.000% * 0.3361% (1.00 0.02 0.02) = 0.336% QG2 VAL 62 - HN ARG+ 22 10.000% * 0.2922% (0.87 0.02 0.02) = 0.292% HG3 LYS+ 63 - HN ARG+ 22 10.000% * 0.2314% (0.69 0.02 0.02) = 0.231% QG2 VAL 99 - HN ARG+ 22 10.000% * 0.2043% (0.61 0.02 0.02) = 0.204% Peak 136 (0.72, 8.94, 125.29 ppm): 11 chemical-shift based assignments, quality = 0.741, support = 0.838, residual support = 0.871: QD1 ILE 68 - HN ARG+ 22 9.091% * 29.2712% (0.92 0.90 1.61) = 29.271% kept QD2 LEU 9 - HN ARG+ 22 9.091% * 26.4500% (0.92 0.82 0.57) = 26.450% kept QD1 LEU 9 - HN ARG+ 22 9.091% * 22.5585% (0.76 0.84 0.57) = 22.559% kept HB2 LEU 9 - HN ARG+ 22 9.091% * 11.8691% (0.31 1.10 0.57) = 11.869% kept HG LEU 67 - HN ARG+ 22 9.091% * 4.2506% (0.28 0.44 0.02) = 4.251% kept HG LEU 74 - HN ARG+ 22 9.091% * 3.3204% (0.16 0.59 1.59) = 3.320% kept QG2 VAL 40 - HN ARG+ 22 9.091% * 0.7021% (1.00 0.02 0.02) = 0.702% QG2 ILE 48 - HN ARG+ 22 9.091% * 0.5098% (0.73 0.02 0.02) = 0.510% QG2 ILE 101 - HN ARG+ 22 9.091% * 0.4258% (0.61 0.02 0.02) = 0.426% HG3 LYS+ 66 - HN ARG+ 22 9.091% * 0.4258% (0.61 0.02 0.02) = 0.426% HG2 PRO 59 - HN ARG+ 22 9.091% * 0.2167% (0.31 0.02 0.02) = 0.217% Peak 137 (5.14, 8.94, 125.29 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 2.2, residual support = 4.92: * O HA ARG+ 22 - HN ARG+ 22 100.000% *100.0000% (0.61 10.0 2.20 4.92) = 100.000% kept Peak 138 (8.29, 8.94, 125.29 ppm): 8 chemical-shift based assignments, quality = 0.879, support = 0.488, residual support = 0.249: HN ASP- 28 - HN ARG+ 22 12.500% * 33.4955% (1.00 0.55 0.19) = 33.495% kept HN LEU 9 - HN ARG+ 22 12.500% * 31.5901% (0.87 0.60 0.57) = 31.590% kept HN HIS+ 8 - HN ARG+ 22 12.500% * 24.1413% (1.00 0.40 0.02) = 24.141% kept HN GLN 16 - HN ARG+ 22 12.500% * 3.9626% (0.31 0.21 0.02) = 3.963% kept HN HIS+ 7 - HN ARG+ 22 12.500% * 2.8714% (0.41 0.12 0.02) = 2.871% kept HN VAL 99 - HN ARG+ 22 12.500% * 2.0942% (0.22 0.16 0.02) = 2.094% kept HN ASN 89 - HN ARG+ 22 12.500% * 0.9676% (0.80 0.02 0.02) = 0.968% HN ALA 91 - HN ARG+ 22 12.500% * 0.8775% (0.73 0.02 0.02) = 0.877% Peak 139 (1.67, 8.94, 125.29 ppm): 7 chemical-shift based assignments, quality = 0.595, support = 2.27, residual support = 4.04: * O HB3 ARG+ 22 - HN ARG+ 22 14.286% * 81.8657% (0.53 10.0 2.54 4.92) = 81.866% kept HB3 MET 126 - HN ARG+ 22 14.286% * 10.4097% (0.98 1.0 1.37 0.11) = 10.410% kept HB2 HIS+ 8 - HN ARG+ 22 14.286% * 4.9780% (0.84 1.0 0.77 0.02) = 4.978% kept HG3 ARG+ 84 - HN ARG+ 22 14.286% * 2.4886% (0.84 1.0 0.38 0.02) = 2.489% kept HB3 MET 97 - HN ARG+ 22 14.286% * 0.0944% (0.61 1.0 0.02 0.02) = 0.094% HD3 LYS+ 55 - HN ARG+ 22 14.286% * 0.0819% (0.53 1.0 0.02 0.02) = 0.082% HB VAL 99 - HN ARG+ 22 14.286% * 0.0819% (0.53 1.0 0.02 0.02) = 0.082% Peak 140 (1.34, 8.94, 125.29 ppm): 8 chemical-shift based assignments, quality = 0.594, support = 1.47, residual support = 2.39: * HG3 ARG+ 22 - HN ARG+ 22 12.500% * 38.8620% (0.45 2.56 4.92) = 38.862% kept HG3 LYS+ 20 - HN ARG+ 22 12.500% * 29.2171% (0.76 1.13 0.96) = 29.217% kept HG LEU 74 - HN ARG+ 22 12.500% * 12.1185% (0.61 0.59 1.59) = 12.118% kept HB2 LEU 17 - HN ARG+ 22 12.500% * 9.2176% (0.97 0.28 0.02) = 9.218% kept QB ALA 103 - HN ARG+ 22 12.500% * 6.4027% (0.28 0.68 0.02) = 6.403% kept HG13 ILE 19 - HN ARG+ 22 12.500% * 3.3178% (0.49 0.20 0.02) = 3.318% kept QB ALA 11 - HN ARG+ 22 12.500% * 0.6760% (1.00 0.02 0.02) = 0.676% QB ALA 91 - HN ARG+ 22 12.500% * 0.1884% (0.28 0.02 0.02) = 0.188% Peak 141 (1.13, 8.19, 125.39 ppm): 7 chemical-shift based assignments, quality = 0.992, support = 3.34, residual support = 8.8: * O QB ALA 33 - HN ALA 33 14.286% * 76.7687% (1.00 10.0 3.00 7.70) = 76.769% kept HG3 LYS+ 32 - HN ALA 33 14.286% * 19.6745% (1.00 1.0 5.13 14.54) = 19.675% kept HG LEU 74 - HN ALA 33 14.286% * 3.0881% (1.00 1.0 0.80 0.99) = 3.088% kept QG2 THR 96 - HN ALA 33 14.286% * 0.3674% (0.65 1.0 0.15 0.32) = 0.367% HD3 LYS+ 111 - HN ALA 33 14.286% * 0.0743% (0.96 1.0 0.02 0.02) = 0.074% HG3 PRO 59 - HN ALA 33 14.286% * 0.0135% (0.17 1.0 0.02 0.02) = 0.013% QG2 THR 61 - HN ALA 33 14.286% * 0.0135% (0.17 1.0 0.02 0.02) = 0.013% Peak 142 (4.47, 8.19, 125.39 ppm): 12 chemical-shift based assignments, quality = 0.948, support = 3.51, residual support = 14.0: * O HA LYS+ 32 - HN ALA 33 8.333% * 96.4538% (0.96 10.0 3.62 14.54) = 96.454% kept HA ASN 89 - HN ALA 33 8.333% * 2.9117% (0.64 1.0 0.91 0.02) = 2.912% kept HA ALA 103 - HN ALA 33 8.333% * 0.0980% (0.98 1.0 0.02 0.02) = 0.098% HA PRO 86 - HN ALA 33 8.333% * 0.0923% (0.92 1.0 0.02 0.02) = 0.092% HA ILE 100 - HN ALA 33 8.333% * 0.0867% (0.87 1.0 0.02 0.02) = 0.087% HA ILE 101 - HN ALA 33 8.333% * 0.0835% (0.83 1.0 0.02 0.02) = 0.083% HA GLU- 50 - HN ALA 33 8.333% * 0.0647% (0.65 1.0 0.02 0.02) = 0.065% HA VAL 73 - HN ALA 33 8.333% * 0.0591% (0.59 1.0 0.02 0.02) = 0.059% HA VAL 99 - HN ALA 33 8.333% * 0.0486% (0.49 1.0 0.02 0.02) = 0.049% HA ASN 76 - HN ALA 33 8.333% * 0.0486% (0.49 1.0 0.02 0.02) = 0.049% HA CYS 123 - HN ALA 33 8.333% * 0.0308% (0.31 1.0 0.02 0.02) = 0.031% HA SER 77 - HN ALA 33 8.333% * 0.0223% (0.22 1.0 0.02 0.02) = 0.022% Peak 143 (1.58, 8.19, 125.39 ppm): 11 chemical-shift based assignments, quality = 0.663, support = 3.29, residual support = 11.3: HB3 LYS+ 32 - HN ALA 33 9.091% * 59.1179% (0.73 4.33 14.54) = 59.118% kept HD3 LYS+ 32 - HN ALA 33 9.091% * 17.4174% (0.25 3.71 14.54) = 17.417% kept HB ILE 19 - HN ALA 33 9.091% * 9.1115% (0.92 0.52 0.02) = 9.112% kept HG3 LYS+ 60 - HN ALA 33 9.091% * 4.5977% (0.94 0.26 0.02) = 4.598% kept HG LEU 17 - HN ALA 33 9.091% * 3.3019% (0.90 0.20 3.07) = 3.302% kept HD3 LYS+ 60 - HN ALA 33 9.091% * 2.7955% (0.83 0.18 0.02) = 2.796% kept HB3 LEU 9 - HN ALA 33 9.091% * 2.6588% (0.41 0.34 0.57) = 2.659% kept HB3 LEU 17 - HN ALA 33 9.091% * 0.6448% (0.17 0.20 3.07) = 0.645% HB3 LEU 90 - HN ALA 33 9.091% * 0.1546% (0.41 0.02 0.02) = 0.155% HG13 ILE 29 - HN ALA 33 9.091% * 0.1161% (0.31 0.02 0.02) = 0.116% QG2 THR 24 - HN ALA 33 9.091% * 0.0837% (0.22 0.02 0.02) = 0.084% 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): 4 chemical-shift based assignments, quality = 0.914, support = 2.59, residual support = 7.63: * O HA ALA 33 - HN ALA 33 25.000% * 99.0896% (0.92 10.0 2.61 7.70) = 99.090% kept HA ASN 89 - HN ALA 33 25.000% * 0.7050% (0.14 1.0 0.91 0.02) = 0.705% HA HIS+ 98 - HN ALA 33 25.000% * 0.1064% (0.99 1.0 0.02 0.02) = 0.106% HA GLN 102 - HN ALA 33 25.000% * 0.0991% (0.92 1.0 0.02 0.02) = 0.099% Peak 146 (1.28, 8.19, 125.39 ppm): 5 chemical-shift based assignments, quality = 0.659, support = 3.2, residual support = 11.6: HG2 LYS+ 32 - HN ALA 33 20.000% * 78.3206% (0.65 3.89 14.54) = 78.321% kept HG LEU 74 - HN ALA 33 20.000% * 19.0013% (0.76 0.80 0.99) = 19.001% kept QG2 THR 46 - HN ALA 33 20.000% * 1.5581% (0.57 0.09 0.02) = 1.558% kept HB3 LEU 74 - HN ALA 33 20.000% * 0.6214% (1.00 0.02 0.99) = 0.621% HB2 LYS+ 55 - HN ALA 33 20.000% * 0.4987% (0.80 0.02 0.02) = 0.499% Peak 147 (8.78, 8.19, 125.39 ppm): 4 chemical-shift based assignments, quality = 0.635, support = 2.78, residual support = 6.69: * HN PHE 34 - HN ALA 33 25.000% * 68.3911% (0.49 3.86 9.71) = 68.391% kept HN THR 95 - HN ALA 33 25.000% * 17.2007% (1.00 0.47 0.19) = 17.201% kept HN SER 69 - HN ALA 33 25.000% * 14.1835% (0.92 0.42 0.12) = 14.184% kept HN VAL 62 - HN ALA 33 25.000% * 0.2247% (0.31 0.02 0.02) = 0.225% Peak 149 (4.68, 8.12, 125.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 150 (4.23, 8.12, 125.12 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 151 (8.02, 8.01, 125.15 ppm): 1 diagonal assignment: * HN LYS+ 111 - HN LYS+ 111 (0.96) kept Peak 152 (4.34, 8.01, 125.15 ppm): 12 chemical-shift based assignments, quality = 0.496, support = 0.242, residual support = 0.02: HA2 GLY 26 - HN LYS+ 111 8.333% * 46.3984% (0.22 0.50 0.02) = 46.398% kept HA VAL 94 - HN LYS+ 111 8.333% * 8.3488% (0.99 0.02 0.02) = 8.349% kept HB THR 61 - HN LYS+ 111 8.333% * 8.2017% (0.98 0.02 0.02) = 8.202% kept HA VAL 73 - HN LYS+ 111 8.333% * 8.0028% (0.95 0.02 0.02) = 8.003% kept HA ASN 89 - HN LYS+ 111 8.333% * 6.8238% (0.81 0.02 0.02) = 6.824% kept HA HIS+ 3 - HN LYS+ 111 8.333% * 5.4129% (0.64 0.02 0.02) = 5.413% kept HA1 GLY 26 - HN LYS+ 111 8.333% * 4.4023% (0.52 0.02 0.02) = 4.402% kept * HA PRO 112 - HN LYS+ 111 8.333% * 3.4399% (0.41 0.02 0.02) = 3.440% kept HA MET 1 - HN LYS+ 111 8.333% * 3.4399% (0.41 0.02 0.02) = 3.440% kept HA LYS+ 117 - HN LYS+ 111 8.333% * 2.5826% (0.31 0.02 0.02) = 2.583% kept HA ILE 29 - HN LYS+ 111 8.333% * 1.6559% (0.20 0.02 0.02) = 1.656% kept HB3 HIS+ 4 - HN LYS+ 111 8.333% * 1.2910% (0.15 0.02 0.02) = 1.291% kept Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 153 (4.27, 8.29, 124.59 ppm): 17 chemical-shift based assignments, quality = 0.771, support = 2.63, residual support = 7.02: * O HA ALA 91 - HN ALA 91 5.882% * 56.4943% (0.91 10.0 2.11 6.37) = 56.494% kept O HA LEU 90 - HN ALA 91 5.882% * 31.9845% (0.52 10.0 2.97 9.23) = 31.984% kept HA ASN 89 - HN ALA 91 5.882% * 11.0304% (0.81 1.0 4.41 4.29) = 11.030% kept HA SER 85 - HN ALA 91 5.882% * 0.0564% (0.91 1.0 0.02 0.02) = 0.056% HD3 PRO 59 - HN ALA 91 5.882% * 0.0564% (0.91 1.0 0.02 0.02) = 0.056% HA PRO 52 - HN ALA 91 5.882% * 0.0564% (0.91 1.0 0.02 0.02) = 0.056% HA VAL 65 - HN ALA 91 5.882% * 0.0554% (0.90 1.0 0.02 0.02) = 0.055% HA ARG+ 84 - HN ALA 91 5.882% * 0.0545% (0.88 1.0 0.02 0.02) = 0.055% HA THR 106 - HN ALA 91 5.882% * 0.0410% (0.66 1.0 0.02 0.02) = 0.041% HA GLU- 75 - HN ALA 91 5.882% * 0.0410% (0.66 1.0 0.02 0.02) = 0.041% HA VAL 73 - HN ALA 91 5.882% * 0.0368% (0.60 1.0 0.02 0.02) = 0.037% HA GLU- 56 - HN ALA 91 5.882% * 0.0275% (0.44 1.0 0.02 0.02) = 0.027% HA2 GLY 114 - HN ALA 91 5.882% * 0.0212% (0.34 1.0 0.02 0.02) = 0.021% HA HIS+ 4 - HN ALA 91 5.882% * 0.0157% (0.25 1.0 0.02 0.02) = 0.016% HA LYS+ 108 - HN ALA 91 5.882% * 0.0099% (0.16 1.0 0.02 0.02) = 0.010% HA PRO 104 - HN ALA 91 5.882% * 0.0099% (0.16 1.0 0.02 0.02) = 0.010% HA PRO 59 - HN ALA 91 5.882% * 0.0087% (0.14 1.0 0.02 0.02) = 0.009% Peak 154 (1.37, 8.29, 124.59 ppm): 11 chemical-shift based assignments, quality = 0.854, support = 2.71, residual support = 6.29: * O QB ALA 91 - HN ALA 91 9.091% * 98.7381% (0.86 10.0 2.75 6.37) = 98.738% kept HG LEU 74 - HN ALA 91 9.091% * 0.6701% (0.48 1.0 0.25 0.02) = 0.670% HB3 LYS+ 20 - HN ALA 91 9.091% * 0.0964% (0.84 1.0 0.02 0.02) = 0.096% HG2 LYS+ 78 - HN ALA 91 9.091% * 0.0936% (0.82 1.0 0.02 0.02) = 0.094% HG3 ARG+ 22 - HN ALA 91 9.091% * 0.0836% (0.73 1.0 0.02 0.02) = 0.084% HG13 ILE 19 - HN ALA 91 9.091% * 0.0798% (0.70 1.0 0.02 0.02) = 0.080% QG2 THR 39 - HN ALA 91 9.091% * 0.0758% (0.66 1.0 0.02 0.02) = 0.076% HB2 LYS+ 20 - HN ALA 91 9.091% * 0.0675% (0.59 1.0 0.02 0.02) = 0.068% HG3 LYS+ 20 - HN ALA 91 9.091% * 0.0508% (0.44 1.0 0.02 0.02) = 0.051% HB2 LEU 17 - HN ALA 91 9.091% * 0.0260% (0.23 1.0 0.02 0.11) = 0.026% HD3 LYS+ 20 - HN ALA 91 9.091% * 0.0183% (0.16 1.0 0.02 0.02) = 0.018% Peak 155 (1.55, 8.29, 124.59 ppm): 11 chemical-shift based assignments, quality = 0.761, support = 2.28, residual support = 7.84: HB3 LEU 90 - HN ALA 91 9.091% * 84.8907% (0.84 2.60 9.23) = 84.891% kept HG LEU 17 - HN ALA 91 9.091% * 11.0119% (0.41 0.69 0.11) = 11.012% kept QG2 THR 24 - HN ALA 91 9.091% * 0.7080% (0.91 0.02 0.02) = 0.708% HG13 ILE 29 - HN ALA 91 9.091% * 0.6940% (0.90 0.02 0.02) = 0.694% HB3 LEU 9 - HN ALA 91 9.091% * 0.6536% (0.84 0.02 0.02) = 0.654% HB3 LEU 23 - HN ALA 91 9.091% * 0.5914% (0.76 0.02 0.02) = 0.591% HD3 LYS+ 60 - HN ALA 91 9.091% * 0.3725% (0.48 0.02 0.02) = 0.372% QG2 VAL 80 - HN ALA 91 9.091% * 0.3446% (0.44 0.02 0.02) = 0.345% HB ILE 19 - HN ALA 91 9.091% * 0.2911% (0.38 0.02 0.02) = 0.291% HG3 LYS+ 60 - HN ALA 91 9.091% * 0.2657% (0.34 0.02 0.02) = 0.266% HG LEU 9 - HN ALA 91 9.091% * 0.1765% (0.23 0.02 0.02) = 0.177% Peak 156 (0.84, 8.29, 124.59 ppm): 14 chemical-shift based assignments, quality = 0.512, support = 1.46, residual support = 3.87: HG3 LYS+ 117 - HN ALA 91 7.143% * 38.1759% (0.79 1.30 0.29) = 38.176% kept QD1 LEU 90 - HN ALA 91 7.143% * 24.2224% (0.31 2.10 9.23) = 24.222% kept QD2 LEU 90 - HN ALA 91 7.143% * 16.1796% (0.18 2.41 9.23) = 16.180% kept HG2 LYS+ 117 - HN ALA 91 7.143% * 8.7953% (0.88 0.27 0.29) = 8.795% kept QD2 LEU 17 - HN ALA 91 7.143% * 5.8502% (0.25 0.62 0.11) = 5.850% kept HG LEU 74 - HN ALA 91 7.143% * 3.3314% (0.37 0.25 0.02) = 3.331% kept QG2 VAL 13 - HN ALA 91 7.143% * 0.6714% (0.91 0.02 0.02) = 0.671% QD1 ILE 29 - HN ALA 91 7.143% * 0.5876% (0.79 0.02 0.02) = 0.588% QG1 VAL 13 - HN ALA 91 7.143% * 0.5177% (0.70 0.02 0.02) = 0.518% HB ILE 101 - HN ALA 91 7.143% * 0.4919% (0.66 0.02 0.02) = 0.492% HG2 LYS+ 113 - HN ALA 91 7.143% * 0.3835% (0.52 0.02 0.02) = 0.384% QG1 VAL 94 - HN ALA 91 7.143% * 0.3297% (0.44 0.02 0.02) = 0.330% HG3 LYS+ 113 - HN ALA 91 7.143% * 0.2542% (0.34 0.02 0.02) = 0.254% QG2 ILE 100 - HN ALA 91 7.143% * 0.2091% (0.28 0.02 0.02) = 0.209% Peak 157 (8.24, 8.24, 124.61 ppm): 1 diagonal assignment: HN ALA 11 - HN ALA 11 (0.06) kept Reference assignment not found: HN GLU- 12 - HN ALA 11 Peak 158 (2.06, 8.24, 124.61 ppm): 12 chemical-shift based assignments, quality = 0.235, support = 0.886, residual support = 1.48: HB3 GLU- 10 - HN ALA 11 8.333% * 45.9383% (0.26 1.19 3.01) = 45.938% kept HB2 GLU- 45 - HN ALA 11 8.333% * 31.3322% (0.28 0.75 0.23) = 31.332% kept HG3 PRO 86 - HN ALA 11 8.333% * 13.3821% (0.20 0.45 0.11) = 13.382% kept HB3 GLU- 45 - HN ALA 11 8.333% * 6.0265% (0.05 0.74 0.23) = 6.027% kept HB3 GLU- 75 - HN ALA 11 8.333% * 0.7366% (0.24 0.02 0.02) = 0.737% HG3 ARG+ 53 - HN ALA 11 8.333% * 0.7085% (0.24 0.02 0.02) = 0.708% HB VAL 62 - HN ALA 11 8.333% * 0.5997% (0.20 0.02 0.02) = 0.600% HB3 LYS+ 110 - HN ALA 11 8.333% * 0.3811% (0.13 0.02 0.02) = 0.381% HB3 LYS+ 120 - HN ALA 11 8.333% * 0.3811% (0.13 0.02 0.02) = 0.381% HB3 GLU- 107 - HN ALA 11 8.333% * 0.2578% (0.09 0.02 0.02) = 0.258% HA1 GLY 58 - HN ALA 11 8.333% * 0.1306% (0.04 0.02 0.02) = 0.131% HD3 LYS+ 110 - HN ALA 11 8.333% * 0.1255% (0.04 0.02 0.02) = 0.125% Peak 159 (1.56, 8.33, 124.77 ppm): 10 chemical-shift based assignments, quality = 0.23, support = 2.19, residual support = 7.39: HB3 LEU 90 - HN ALA 91 10.000% * 79.9356% (0.25 2.60 9.23) = 79.936% kept HG LEU 17 - HN ALA 91 10.000% * 16.4621% (0.19 0.69 0.11) = 16.462% kept HB3 LEU 9 - HN ALA 91 10.000% * 0.6154% (0.25 0.02 0.02) = 0.615% HG13 ILE 29 - HN ALA 91 10.000% * 0.5874% (0.24 0.02 0.02) = 0.587% QG2 THR 24 - HN ALA 91 10.000% * 0.5386% (0.22 0.02 0.02) = 0.539% HD3 LYS+ 60 - HN ALA 91 10.000% * 0.5186% (0.21 0.02 0.02) = 0.519% HB ILE 19 - HN ALA 91 10.000% * 0.4509% (0.18 0.02 0.02) = 0.451% HG3 LYS+ 60 - HN ALA 91 10.000% * 0.4265% (0.17 0.02 0.02) = 0.427% HB3 LEU 23 - HN ALA 91 10.000% * 0.3267% (0.13 0.02 0.02) = 0.327% QG2 VAL 80 - HN ALA 91 10.000% * 0.1382% (0.06 0.02 0.02) = 0.138% Peak 160 (8.30, 8.33, 124.77 ppm): 1 diagonal assignment: * HN ALA 91 - HN ALA 91 (0.25) kept Peak 161 (4.79, 8.97, 124.91 ppm): 18 chemical-shift based assignments, quality = 0.203, support = 1.01, residual support = 0.556: HA ASN 89 - HN THR 96 5.556% * 25.8810% (0.12 1.91 0.36) = 25.881% kept HA ASN 15 - HN LEU 17 5.556% * 21.4258% (0.12 1.54 1.49) = 21.426% kept HA LYS+ 113 - HN THR 96 5.556% * 19.3245% (0.45 0.37 0.02) = 19.325% kept HA PRO 116 - HN THR 96 5.556% * 11.3928% (0.36 0.27 0.02) = 11.393% kept HA ASN 89 - HN LEU 17 5.556% * 4.6114% (0.04 0.98 2.91) = 4.611% kept HA LYS+ 113 - HN ARG+ 22 5.556% * 3.0363% (0.08 0.32 0.02) = 3.036% kept HA ASP- 115 - HN THR 96 5.556% * 2.8593% (0.29 0.09 0.02) = 2.859% kept HA PRO 116 - HN ARG+ 22 5.556% * 2.6660% (0.07 0.35 0.02) = 2.666% kept HA ASN 15 - HN ARG+ 22 5.556% * 2.4759% (0.06 0.34 0.02) = 2.476% kept HA ASP- 115 - HN ARG+ 22 5.556% * 1.8546% (0.05 0.31 0.02) = 1.855% kept HA GLU- 107 - HN LEU 17 5.556% * 1.6206% (0.07 0.21 0.02) = 1.621% kept HA ASN 15 - HN THR 96 5.556% * 0.7983% (0.35 0.02 0.02) = 0.798% HA ASN 89 - HN ARG+ 22 5.556% * 0.6325% (0.02 0.26 0.02) = 0.633% HA GLU- 107 - HN THR 96 5.556% * 0.4519% (0.20 0.02 0.02) = 0.452% HA LYS+ 113 - HN LEU 17 5.556% * 0.3622% (0.16 0.02 0.02) = 0.362% HA PRO 116 - HN LEU 17 5.556% * 0.2926% (0.13 0.02 0.02) = 0.293% HA ASP- 115 - HN LEU 17 5.556% * 0.2322% (0.10 0.02 0.02) = 0.232% HA GLU- 107 - HN ARG+ 22 5.556% * 0.0821% (0.04 0.02 0.02) = 0.082% Peak 162 (1.57, 8.97, 124.91 ppm): 30 chemical-shift based assignments, quality = 0.307, support = 2.19, residual support = 15.3: HB ILE 19 - HN THR 96 3.333% * 34.1893% (0.47 2.11 4.44) = 34.189% kept HG LEU 17 - HN LEU 17 3.333% * 26.2063% (0.17 4.61 51.85) = 26.206% kept HB ILE 19 - HN LEU 17 3.333% * 5.7821% (0.16 1.02 0.67) = 5.782% kept HG LEU 17 - HN THR 96 3.333% * 5.3817% (0.48 0.33 0.02) = 5.382% kept HG3 LYS+ 60 - HN THR 96 3.333% * 5.3629% (0.47 0.33 0.02) = 5.363% kept HB3 LEU 9 - HN THR 96 3.333% * 4.0721% (0.35 0.34 0.95) = 4.072% kept HG13 ILE 29 - HN ARG+ 22 3.333% * 3.2465% (0.05 1.80 3.88) = 3.246% kept HB3 LEU 9 - HN ARG+ 22 3.333% * 3.0252% (0.06 1.40 0.57) = 3.025% kept HG13 ILE 29 - HN THR 96 3.333% * 2.7789% (0.29 0.28 0.02) = 2.779% kept HD3 LYS+ 60 - HN THR 96 3.333% * 2.5693% (0.48 0.16 0.02) = 2.569% kept HB3 LYS+ 32 - HN LEU 17 3.333% * 2.1680% (0.07 0.92 0.10) = 2.168% kept HG LEU 17 - HN ARG+ 22 3.333% * 1.7354% (0.09 0.58 0.02) = 1.735% kept HB ILE 19 - HN ARG+ 22 3.333% * 1.4028% (0.09 0.48 0.02) = 1.403% kept HB3 LEU 90 - HN THR 96 3.333% * 0.9561% (0.35 0.08 0.02) = 0.956% QG2 THR 24 - HN THR 96 3.333% * 0.1594% (0.23 0.02 0.02) = 0.159% HB3 LYS+ 32 - HN THR 96 3.333% * 0.1346% (0.20 0.02 0.02) = 0.135% HD3 LYS+ 60 - HN LEU 17 3.333% * 0.1138% (0.17 0.02 0.02) = 0.114% HG3 LYS+ 60 - HN LEU 17 3.333% * 0.1118% (0.16 0.02 0.02) = 0.112% HB3 LEU 9 - HN LEU 17 3.333% * 0.0828% (0.12 0.02 0.02) = 0.083% HB3 LEU 90 - HN LEU 17 3.333% * 0.0828% (0.12 0.02 2.76) = 0.083% HG13 ILE 29 - HN LEU 17 3.333% * 0.0692% (0.10 0.02 5.11) = 0.069% HB3 LEU 23 - HN THR 96 3.333% * 0.0648% (0.09 0.02 0.02) = 0.065% HD3 LYS+ 60 - HN ARG+ 22 3.333% * 0.0593% (0.09 0.02 0.02) = 0.059% HG3 LYS+ 60 - HN ARG+ 22 3.333% * 0.0583% (0.08 0.02 0.02) = 0.058% QG2 THR 24 - HN LEU 17 3.333% * 0.0555% (0.08 0.02 0.02) = 0.056% HB3 LEU 90 - HN ARG+ 22 3.333% * 0.0432% (0.06 0.02 0.02) = 0.043% QG2 THR 24 - HN ARG+ 22 3.333% * 0.0289% (0.04 0.02 0.02) = 0.029% HB3 LYS+ 32 - HN ARG+ 22 3.333% * 0.0244% (0.04 0.02 0.02) = 0.024% HB3 LEU 23 - HN LEU 17 3.333% * 0.0226% (0.03 0.02 0.02) = 0.023% HB3 LEU 23 - HN ARG+ 22 3.333% * 0.0118% (0.02 0.02 3.79) = 0.012% Peak 163 (4.93, 8.97, 124.91 ppm): 12 chemical-shift based assignments, quality = 0.188, support = 1.31, residual support = 1.01: HA ALA 33 - HN THR 96 8.333% * 27.4430% (0.27 0.91 0.32) = 27.443% kept HA ALA 33 - HN LEU 17 8.333% * 25.7468% (0.09 2.44 3.07) = 25.747% kept HA HIS+ 98 - HN THR 96 8.333% * 20.5300% (0.35 0.53 0.02) = 20.530% kept HA ASN 89 - HN THR 96 8.333% * 14.1253% (0.07 1.91 0.36) = 14.125% kept HA HIS+ 98 - HN LEU 17 8.333% * 4.4320% (0.12 0.33 0.02) = 4.432% kept HA GLN 102 - HN LEU 17 8.333% * 3.8941% (0.09 0.37 0.02) = 3.894% kept HA ASN 89 - HN LEU 17 8.333% * 2.5168% (0.02 0.98 2.91) = 2.517% kept HA GLN 102 - HN THR 96 8.333% * 0.6057% (0.27 0.02 0.02) = 0.606% HA ASN 89 - HN ARG+ 22 8.333% * 0.3452% (0.01 0.26 0.02) = 0.345% HA HIS+ 98 - HN ARG+ 22 8.333% * 0.1410% (0.06 0.02 0.83) = 0.141% HA GLN 102 - HN ARG+ 22 8.333% * 0.1100% (0.05 0.02 0.02) = 0.110% HA ALA 33 - HN ARG+ 22 8.333% * 0.1100% (0.05 0.02 0.02) = 0.110% Not enough quality. Peak unassigned. Peak 164 (8.97, 8.97, 124.91 ppm): 3 diagonal assignments: HN LEU 17 - HN LEU 17 (0.16) kept HN THR 96 - HN THR 96 (0.08) kept HN ARG+ 22 - HN ARG+ 22 (0.02) kept Reference assignment not found: HN MET 97 - HN THR 96 Peak 165 (0.88, 8.97, 124.91 ppm): 45 chemical-shift based assignments, quality = 0.171, support = 0.717, residual support = 0.395: HG LEU 74 - HN THR 96 2.222% * 25.3998% (0.24 1.09 0.43) = 25.400% kept HG LEU 74 - HN LEU 17 2.222% * 11.2089% (0.08 1.38 1.52) = 11.209% kept QD1 LEU 67 - HN THR 96 2.222% * 11.1918% (0.20 0.60 0.02) = 11.192% kept QG2 VAL 87 - HN THR 96 2.222% * 10.7371% (0.18 0.63 0.02) = 10.737% kept QG2 VAL 105 - HN THR 96 2.222% * 6.5459% (0.25 0.27 0.02) = 6.546% kept QG2 VAL 47 - HN LEU 17 2.222% * 5.4923% (0.17 0.35 0.02) = 5.492% kept QG2 VAL 125 - HN ARG+ 22 2.222% * 4.7611% (0.09 0.58 0.02) = 4.761% kept QG2 VAL 125 - HN THR 96 2.222% * 4.1601% (0.47 0.09 0.02) = 4.160% kept HG13 ILE 68 - HN ARG+ 22 2.222% * 4.0908% (0.03 1.45 1.61) = 4.091% kept HG LEU 74 - HN ARG+ 22 2.222% * 2.5005% (0.04 0.59 1.59) = 2.501% kept QG1 VAL 47 - HN LEU 17 2.222% * 2.2556% (0.08 0.29 0.02) = 2.256% kept QD1 LEU 90 - HN THR 96 2.222% * 1.6106% (0.21 0.08 0.02) = 1.611% kept HG13 ILE 68 - HN THR 96 2.222% * 1.1728% (0.16 0.08 0.02) = 1.173% kept QG2 VAL 47 - HN THR 96 2.222% * 0.9101% (0.48 0.02 0.02) = 0.910% QG1 VAL 122 - HN THR 96 2.222% * 0.8940% (0.47 0.02 0.02) = 0.894% QG1 VAL 40 - HN THR 96 2.222% * 0.8940% (0.47 0.02 0.02) = 0.894% QG1 VAL 80 - HN THR 96 2.222% * 0.8180% (0.43 0.02 0.02) = 0.818% QG2 VAL 122 - HN THR 96 2.222% * 0.7303% (0.38 0.02 0.02) = 0.730% QG1 VAL 47 - HN THR 96 2.222% * 0.4440% (0.23 0.02 0.02) = 0.444% QG2 ILE 100 - HN THR 96 2.222% * 0.4440% (0.23 0.02 0.02) = 0.444% QG2 VAL 125 - HN LEU 17 2.222% * 0.3149% (0.16 0.02 0.02) = 0.315% QG1 VAL 40 - HN LEU 17 2.222% * 0.3114% (0.16 0.02 0.02) = 0.311% QG1 VAL 122 - HN LEU 17 2.222% * 0.3114% (0.16 0.02 0.02) = 0.311% QG1 VAL 80 - HN LEU 17 2.222% * 0.2849% (0.15 0.02 0.02) = 0.285% QG2 VAL 122 - HN LEU 17 2.222% * 0.2544% (0.13 0.02 0.02) = 0.254% QG2 VAL 105 - HN LEU 17 2.222% * 0.1671% (0.09 0.02 0.02) = 0.167% QG2 VAL 47 - HN ARG+ 22 2.222% * 0.1652% (0.09 0.02 0.02) = 0.165% QG1 VAL 40 - HN ARG+ 22 2.222% * 0.1623% (0.08 0.02 0.02) = 0.162% QG1 VAL 122 - HN ARG+ 22 2.222% * 0.1623% (0.08 0.02 0.02) = 0.162% QG2 ILE 100 - HN LEU 17 2.222% * 0.1546% (0.08 0.02 0.02) = 0.155% QG1 VAL 80 - HN ARG+ 22 2.222% * 0.1485% (0.08 0.02 0.02) = 0.149% QD1 LEU 90 - HN LEU 17 2.222% * 0.1424% (0.07 0.02 2.76) = 0.142% HB ILE 101 - HN THR 96 2.222% * 0.1407% (0.07 0.02 0.02) = 0.141% QG2 VAL 122 - HN ARG+ 22 2.222% * 0.1326% (0.07 0.02 0.02) = 0.133% QD1 LEU 67 - HN LEU 17 2.222% * 0.1306% (0.07 0.02 0.02) = 0.131% QG2 VAL 87 - HN LEU 17 2.222% * 0.1192% (0.06 0.02 0.02) = 0.119% HG13 ILE 68 - HN LEU 17 2.222% * 0.1084% (0.06 0.02 0.02) = 0.108% QG2 VAL 105 - HN ARG+ 22 2.222% * 0.0871% (0.05 0.02 0.02) = 0.087% QG2 ILE 100 - HN ARG+ 22 2.222% * 0.0806% (0.04 0.02 0.02) = 0.081% QG1 VAL 47 - HN ARG+ 22 2.222% * 0.0806% (0.04 0.02 0.02) = 0.081% QD1 LEU 90 - HN ARG+ 22 2.222% * 0.0742% (0.04 0.02 0.02) = 0.074% QD1 LEU 67 - HN ARG+ 22 2.222% * 0.0681% (0.04 0.02 0.02) = 0.068% QG2 VAL 87 - HN ARG+ 22 2.222% * 0.0622% (0.03 0.02 0.02) = 0.062% HB ILE 101 - HN LEU 17 2.222% * 0.0490% (0.03 0.02 0.02) = 0.049% HB ILE 101 - HN ARG+ 22 2.222% * 0.0256% (0.01 0.02 0.02) = 0.026% Not enough quality. Peak unassigned. Peak 166 (1.12, 8.97, 124.91 ppm): 21 chemical-shift based assignments, quality = 0.359, support = 2.07, residual support = 3.14: * QG2 THR 96 - HN THR 96 4.762% * 43.8065% (0.48 2.90 5.81) = 43.807% kept HG LEU 74 - HN THR 96 4.762% * 16.4609% (0.48 1.09 0.43) = 16.461% kept QB ALA 33 - HN LEU 17 4.762% * 11.3778% (0.11 3.15 3.07) = 11.378% kept QB ALA 33 - HN THR 96 4.762% * 9.5760% (0.33 0.92 0.32) = 9.576% kept HG LEU 74 - HN LEU 17 4.762% * 7.2642% (0.17 1.38 1.52) = 7.264% kept HG3 LYS+ 32 - HN LEU 17 4.762% * 4.3604% (0.11 1.21 0.10) = 4.360% kept QG2 THR 61 - HN THR 96 4.762% * 3.0760% (0.31 0.31 0.02) = 3.076% kept HG LEU 74 - HN ARG+ 22 4.762% * 1.6205% (0.09 0.59 1.59) = 1.621% kept HG3 LYS+ 32 - HN THR 96 4.762% * 0.9694% (0.33 0.09 0.02) = 0.969% QG2 THR 79 - HN THR 96 4.762% * 0.7391% (0.12 0.20 0.02) = 0.739% HD3 LYS+ 111 - HN THR 96 4.762% * 0.2419% (0.38 0.02 0.02) = 0.242% QG2 THR 96 - HN LEU 17 4.762% * 0.1052% (0.17 0.02 0.02) = 0.105% HD3 LYS+ 111 - HN LEU 17 4.762% * 0.0843% (0.13 0.02 0.02) = 0.084% QG2 THR 61 - HN LEU 17 4.762% * 0.0681% (0.11 0.02 0.02) = 0.068% QG2 THR 96 - HN ARG+ 22 4.762% * 0.0549% (0.09 0.02 0.02) = 0.055% HD3 LYS+ 111 - HN ARG+ 22 4.762% * 0.0439% (0.07 0.02 0.02) = 0.044% QB ALA 33 - HN ARG+ 22 4.762% * 0.0377% (0.06 0.02 0.02) = 0.038% HG3 LYS+ 32 - HN ARG+ 22 4.762% * 0.0377% (0.06 0.02 0.02) = 0.038% QG2 THR 61 - HN ARG+ 22 4.762% * 0.0355% (0.06 0.02 0.02) = 0.035% QG2 THR 79 - HN LEU 17 4.762% * 0.0262% (0.04 0.02 0.02) = 0.026% QG2 THR 79 - HN ARG+ 22 4.762% * 0.0137% (0.02 0.02 0.02) = 0.014% Peak 167 (0.69, 8.97, 124.91 ppm): 27 chemical-shift based assignments, quality = 0.408, support = 2.56, residual support = 3.4: QD1 ILE 19 - HN THR 96 3.704% * 28.7331% (0.47 3.38 4.44) = 28.733% kept HG12 ILE 19 - HN THR 96 3.704% * 25.0769% (0.48 2.93 4.44) = 25.077% kept QG2 VAL 94 - HN THR 96 3.704% * 23.8106% (0.48 2.78 3.85) = 23.811% kept HG12 ILE 19 - HN LEU 17 3.704% * 5.1387% (0.17 1.72 0.67) = 5.139% kept QD1 ILE 19 - HN LEU 17 3.704% * 3.6774% (0.16 1.24 0.67) = 3.677% kept HB2 LEU 9 - HN THR 96 3.704% * 3.1215% (0.29 0.60 0.95) = 3.122% kept HG2 PRO 59 - HN THR 96 3.704% * 3.0799% (0.29 0.59 0.02) = 3.080% kept HG LEU 67 - HN THR 96 3.704% * 2.1774% (0.31 0.39 0.02) = 2.177% kept HB2 LEU 9 - HN ARG+ 22 3.704% * 1.0348% (0.05 1.10 0.57) = 1.035% kept QG2 ILE 101 - HN THR 96 3.704% * 0.8390% (0.15 0.32 0.02) = 0.839% HG12 ILE 19 - HN ARG+ 22 3.704% * 0.7620% (0.09 0.49 0.02) = 0.762% QD1 ILE 19 - HN ARG+ 22 3.704% * 0.7513% (0.09 0.49 0.02) = 0.751% QG2 ILE 48 - HN THR 96 3.704% * 0.5572% (0.11 0.29 0.02) = 0.557% QG1 VAL 62 - HN THR 96 3.704% * 0.4736% (0.31 0.09 0.02) = 0.474% HG LEU 67 - HN ARG+ 22 3.704% * 0.4387% (0.06 0.44 0.02) = 0.439% QG2 VAL 94 - HN LEU 17 3.704% * 0.0597% (0.17 0.02 0.02) = 0.060% HG LEU 67 - HN LEU 17 3.704% * 0.0387% (0.11 0.02 0.02) = 0.039% QG1 VAL 62 - HN LEU 17 3.704% * 0.0387% (0.11 0.02 0.02) = 0.039% HG2 PRO 59 - HN LEU 17 3.704% * 0.0362% (0.10 0.02 0.02) = 0.036% HB2 LEU 9 - HN LEU 17 3.704% * 0.0362% (0.10 0.02 0.02) = 0.036% QG2 VAL 94 - HN ARG+ 22 3.704% * 0.0311% (0.09 0.02 0.02) = 0.031% QG1 VAL 62 - HN ARG+ 22 3.704% * 0.0201% (0.06 0.02 0.02) = 0.020% HG2 PRO 59 - HN ARG+ 22 3.704% * 0.0189% (0.05 0.02 0.02) = 0.019% QG2 ILE 101 - HN LEU 17 3.704% * 0.0184% (0.05 0.02 0.02) = 0.018% QG2 ILE 48 - HN LEU 17 3.704% * 0.0133% (0.04 0.02 0.02) = 0.013% QG2 ILE 101 - HN ARG+ 22 3.704% * 0.0096% (0.03 0.02 0.02) = 0.010% QG2 ILE 48 - HN ARG+ 22 3.704% * 0.0069% (0.02 0.02 0.02) = 0.007% Peak 168 (2.02, 8.97, 124.91 ppm): 48 chemical-shift based assignments, quality = 0.291, support = 0.853, residual support = 3.65: HB2 GLU- 18 - HN THR 96 2.083% * 31.4161% (0.44 0.87 0.49) = 31.416% kept HB2 GLU- 18 - HN LEU 17 2.083% * 24.5298% (0.15 1.94 14.21) = 24.530% kept HB3 PRO 112 - HN THR 96 2.083% * 10.4310% (0.48 0.27 0.02) = 10.431% kept HB2 PRO 112 - HN THR 96 2.083% * 10.2472% (0.47 0.27 0.02) = 10.247% kept HB3 PRO 31 - HN LEU 17 2.083% * 6.5519% (0.15 0.52 0.02) = 6.552% kept HB VAL 62 - HN THR 96 2.083% * 2.3574% (0.11 0.27 0.02) = 2.357% kept HB3 GLU- 75 - HN THR 96 2.083% * 2.0054% (0.19 0.13 0.02) = 2.005% kept HB2 GLU- 18 - HN ARG+ 22 2.083% * 1.7879% (0.08 0.27 0.02) = 1.788% kept HG2 PRO 116 - HN THR 96 2.083% * 0.7847% (0.48 0.02 0.02) = 0.785% HG2 GLU- 64 - HN THR 96 2.083% * 0.7573% (0.46 0.02 0.02) = 0.757% HB2 LYS+ 44 - HN THR 96 2.083% * 0.7244% (0.44 0.02 0.02) = 0.724% HB3 PRO 31 - HN THR 96 2.083% * 0.7244% (0.44 0.02 0.02) = 0.724% HB VAL 105 - HN THR 96 2.083% * 0.6807% (0.41 0.02 0.02) = 0.681% HB2 HIS+ 14 - HN THR 96 2.083% * 0.6554% (0.40 0.02 0.02) = 0.655% HG2 PRO 86 - HN THR 96 2.083% * 0.5997% (0.36 0.02 0.02) = 0.600% HB3 GLU- 45 - HN THR 96 2.083% * 0.5698% (0.35 0.02 0.02) = 0.570% HB3 GLU- 107 - HN THR 96 2.083% * 0.4443% (0.27 0.02 0.02) = 0.444% HB3 LYS+ 110 - HN THR 96 2.083% * 0.3226% (0.20 0.02 0.02) = 0.323% HG2 PRO 116 - HN LEU 17 2.083% * 0.2733% (0.17 0.02 0.02) = 0.273% HB3 PRO 112 - HN LEU 17 2.083% * 0.2727% (0.17 0.02 0.02) = 0.273% HB2 PRO 112 - HN LEU 17 2.083% * 0.2679% (0.16 0.02 0.02) = 0.268% HG2 GLU- 64 - HN LEU 17 2.083% * 0.2638% (0.16 0.02 0.02) = 0.264% HB2 LYS+ 44 - HN LEU 17 2.083% * 0.2523% (0.15 0.02 0.02) = 0.252% HB VAL 105 - HN LEU 17 2.083% * 0.2371% (0.14 0.02 0.02) = 0.237% HB2 HIS+ 14 - HN LEU 17 2.083% * 0.2283% (0.14 0.02 0.02) = 0.228% HG2 PRO 86 - HN LEU 17 2.083% * 0.2089% (0.13 0.02 0.02) = 0.209% HB3 GLU- 45 - HN LEU 17 2.083% * 0.1985% (0.12 0.02 0.02) = 0.198% HG3 PRO 86 - HN THR 96 2.083% * 0.1747% (0.11 0.02 0.02) = 0.175% HB3 GLU- 107 - HN LEU 17 2.083% * 0.1547% (0.09 0.02 0.02) = 0.155% HG2 PRO 116 - HN ARG+ 22 2.083% * 0.1425% (0.09 0.02 0.02) = 0.142% HB3 PRO 112 - HN ARG+ 22 2.083% * 0.1422% (0.09 0.02 0.02) = 0.142% HB2 PRO 112 - HN ARG+ 22 2.083% * 0.1396% (0.08 0.02 0.02) = 0.140% HG2 GLU- 64 - HN ARG+ 22 2.083% * 0.1375% (0.08 0.02 0.02) = 0.137% HB2 LYS+ 44 - HN ARG+ 22 2.083% * 0.1315% (0.08 0.02 0.02) = 0.132% HB3 PRO 31 - HN ARG+ 22 2.083% * 0.1315% (0.08 0.02 0.02) = 0.132% HB VAL 105 - HN ARG+ 22 2.083% * 0.1236% (0.07 0.02 0.02) = 0.124% HB2 HIS+ 14 - HN ARG+ 22 2.083% * 0.1190% (0.07 0.02 0.02) = 0.119% HB3 LYS+ 110 - HN LEU 17 2.083% * 0.1124% (0.07 0.02 0.02) = 0.112% HG2 PRO 86 - HN ARG+ 22 2.083% * 0.1089% (0.07 0.02 0.02) = 0.109% HB3 GLU- 75 - HN LEU 17 2.083% * 0.1064% (0.06 0.02 0.02) = 0.106% HB3 GLU- 45 - HN ARG+ 22 2.083% * 0.1035% (0.06 0.02 0.02) = 0.103% HB3 GLU- 107 - HN ARG+ 22 2.083% * 0.0807% (0.05 0.02 0.02) = 0.081% HG3 PRO 86 - HN LEU 17 2.083% * 0.0608% (0.04 0.02 0.02) = 0.061% HB VAL 62 - HN LEU 17 2.083% * 0.0608% (0.04 0.02 0.02) = 0.061% HB3 LYS+ 110 - HN ARG+ 22 2.083% * 0.0586% (0.04 0.02 0.02) = 0.059% HB3 GLU- 75 - HN ARG+ 22 2.083% * 0.0554% (0.03 0.02 0.02) = 0.055% HG3 PRO 86 - HN ARG+ 22 2.083% * 0.0317% (0.02 0.02 0.02) = 0.032% HB VAL 62 - HN ARG+ 22 2.083% * 0.0317% (0.02 0.02 0.02) = 0.032% 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): 6 chemical-shift based assignments, quality = 0.845, support = 2.11, residual support = 4.04: * HD2 PRO 52 - HN TRP 51 16.667% * 41.0395% (1.00 2.61 4.27) = 41.040% kept HA ASN 89 - HN TRP 51 16.667% * 22.8945% (0.70 2.08 4.28) = 22.895% kept HA ILE 48 - HN TRP 51 16.667% * 20.4849% (0.99 1.30 1.20) = 20.485% kept HB2 HIS+ 4 - HN TRP 51 16.667% * 15.0214% (0.48 1.96 7.08) = 15.021% kept HA LYS+ 81 - HN TRP 51 16.667% * 0.2972% (0.94 0.02 0.02) = 0.297% HA SER 27 - HN TRP 51 16.667% * 0.2624% (0.83 0.02 0.02) = 0.262% Peak 171 (3.02, 7.21, 124.79 ppm): 2 chemical-shift based assignments, quality = 0.987, support = 4.16, residual support = 49.5: * O HB2 TRP 51 - HN TRP 51 50.000% * 98.4896% (1.00 10.0 4.22 50.19) = 98.490% kept HA1 GLY 58 - HN TRP 51 50.000% * 1.5104% (0.44 1.0 0.69 3.79) = 1.510% kept Peak 172 (8.33, 7.21, 124.79 ppm): 6 chemical-shift based assignments, quality = 0.958, support = 4.31, residual support = 12.7: * T HN GLU- 50 - HN TRP 51 16.667% * 99.7182% (0.96 10.00 4.32 12.77) = 99.718% kept HN GLY 114 - HN TRP 51 16.667% * 0.0896% (0.86 1.00 0.02 0.02) = 0.090% HN ASN 76 - HN TRP 51 16.667% * 0.0790% (0.76 1.00 0.02 0.02) = 0.079% HN GLU- 109 - HN TRP 51 16.667% * 0.0503% (0.48 1.00 0.02 0.02) = 0.050% HN VAL 99 - HN TRP 51 16.667% * 0.0425% (0.41 1.00 0.02 0.02) = 0.042% HN LYS+ 108 - HN TRP 51 16.667% * 0.0204% (0.20 1.00 0.02 0.02) = 0.020% Peak 173 (4.38, 7.21, 124.79 ppm): 14 chemical-shift based assignments, quality = 0.959, support = 3.73, residual support = 44.3: * O HA TRP 51 - HN TRP 51 7.143% * 87.4902% (1.00 10.0 4.04 50.19) = 87.490% kept HA ASN 89 - HN TRP 51 7.143% * 6.8888% (0.75 1.0 2.08 4.28) = 6.889% kept HA SER 88 - HN TRP 51 7.143% * 3.2002% (0.83 1.0 0.88 0.02) = 3.200% kept HB3 HIS+ 4 - HN TRP 51 7.143% * 1.9292% (0.52 1.0 0.84 7.08) = 1.929% kept HA VAL 73 - HN TRP 51 7.143% * 0.0864% (0.98 1.0 0.02 0.02) = 0.086% HA ASN 57 - HN TRP 51 7.143% * 0.0808% (0.92 1.0 0.02 0.02) = 0.081% HA ALA 37 - HN TRP 51 7.143% * 0.0785% (0.89 1.0 0.02 0.02) = 0.078% HA LYS+ 60 - HN TRP 51 7.143% * 0.0731% (0.83 1.0 0.02 0.02) = 0.073% HA THR 38 - HN TRP 51 7.143% * 0.0635% (0.72 1.0 0.02 0.02) = 0.064% HA2 GLY 26 - HN TRP 51 7.143% * 0.0360% (0.41 1.0 0.02 0.02) = 0.036% HA LYS+ 117 - HN TRP 51 7.143% * 0.0270% (0.31 1.0 0.02 0.02) = 0.027% HA MET 1 - HN TRP 51 7.143% * 0.0195% (0.22 1.0 0.02 0.02) = 0.019% HA1 GLY 26 - HN TRP 51 7.143% * 0.0135% (0.15 1.0 0.02 0.02) = 0.013% HA THR 24 - HN TRP 51 7.143% * 0.0135% (0.15 1.0 0.02 0.02) = 0.013% Peak 174 (2.34, 7.21, 124.79 ppm): 6 chemical-shift based assignments, quality = 0.832, support = 2.84, residual support = 10.8: * HG3 GLU- 50 - HN TRP 51 16.667% * 81.3510% (0.86 3.38 12.77) = 81.351% kept HA1 GLY 58 - HN TRP 51 16.667% * 11.2946% (0.59 0.69 3.79) = 11.295% kept HB2 HIS+ 3 - HN TRP 51 16.667% * 6.4122% (0.99 0.23 0.02) = 6.412% kept HB2 TYR 83 - HN TRP 51 16.667% * 0.4446% (0.80 0.02 0.02) = 0.445% HB2 CYS 121 - HN TRP 51 16.667% * 0.3592% (0.64 0.02 0.02) = 0.359% HB3 PRO 86 - HN TRP 51 16.667% * 0.1384% (0.25 0.02 0.02) = 0.138% Peak 175 (7.47, 7.21, 124.79 ppm): 1 chemical-shift based assignment, quality = 0.373, support = 3.9, residual support = 50.2: HE3 TRP 51 - HN TRP 51 100.000% *100.0000% (0.37 3.90 50.19) = 100.000% kept Peak 176 (3.40, 7.21, 124.79 ppm): 3 chemical-shift based assignments, quality = 0.973, support = 2.87, residual support = 48.7: * O HB3 TRP 51 - HN TRP 51 33.333% * 96.7026% (1.00 10.0 2.89 50.19) = 96.703% kept HA ASN 89 - HN TRP 51 33.333% * 3.2804% (0.33 1.0 2.08 4.28) = 3.280% kept HA THR 39 - HN TRP 51 33.333% * 0.0169% (0.17 1.0 0.02 0.02) = 0.017% Peak 177 (9.46, 9.47, 124.72 ppm): 1 diagonal assignment: * HN HIS+ 98 - HN HIS+ 98 (0.83) kept Peak 178 (4.94, 9.47, 124.72 ppm): 3 chemical-shift based assignments, quality = 0.248, support = 3.12, residual support = 27.3: * O HA HIS+ 98 - HN HIS+ 98 33.333% * 99.8764% (0.25 10.0 3.12 27.32) = 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 = 0.775, support = 2.91, residual support = 26.2: * O HB2 HIS+ 98 - HN HIS+ 98 25.000% * 94.9033% (0.80 10.0 2.97 27.32) = 94.903% kept HG3 MET 97 - HN HIS+ 98 25.000% * 4.6909% (0.41 1.0 1.93 5.40) = 4.691% kept HA1 GLY 58 - HN HIS+ 98 25.000% * 0.3481% (0.68 1.0 0.09 0.02) = 0.348% HE3 LYS+ 60 - HN HIS+ 98 25.000% * 0.0577% (0.48 1.0 0.02 0.02) = 0.058% Peak 180 (1.64, 9.47, 124.72 ppm): 10 chemical-shift based assignments, quality = 0.842, support = 1.98, residual support = 3.34: * HB3 MET 97 - HN HIS+ 98 10.000% * 57.6037% (0.92 2.83 5.40) = 57.604% kept HB3 ARG+ 22 - HN HIS+ 98 10.000% * 20.9369% (0.96 0.99 0.83) = 20.937% kept HB2 LEU 67 - HN HIS+ 98 10.000% * 9.7833% (0.45 0.99 0.48) = 9.783% kept HB2 HIS+ 8 - HN HIS+ 98 10.000% * 6.2011% (0.72 0.39 0.02) = 6.201% kept HG LEU 23 - HN HIS+ 98 10.000% * 4.5505% (0.52 0.39 0.13) = 4.551% kept HG3 ARG+ 84 - HN HIS+ 98 10.000% * 0.3198% (0.72 0.02 0.02) = 0.320% HB ILE 100 - HN HIS+ 98 10.000% * 0.1975% (0.45 0.02 0.02) = 0.197% HG12 ILE 101 - HN HIS+ 98 10.000% * 0.1975% (0.45 0.02 0.33) = 0.197% HB3 MET 126 - HN HIS+ 98 10.000% * 0.1225% (0.28 0.02 0.02) = 0.122% HG3 LYS+ 78 - HN HIS+ 98 10.000% * 0.0872% (0.20 0.02 0.02) = 0.087% Peak 181 (8.87, 9.47, 124.72 ppm): 2 chemical-shift based assignments, quality = 0.938, support = 0.446, residual support = 1.75: T HN ILE 68 - HN HIS+ 98 50.000% * 99.6578% (0.94 10.00 0.45 1.76) = 99.658% kept HN ASP- 36 - HN HIS+ 98 50.000% * 0.3422% (0.72 1.00 0.02 0.02) = 0.342% Peak 182 (3.13, 9.47, 124.72 ppm): 8 chemical-shift based assignments, quality = 0.755, support = 3.0, residual support = 27.1: * O HB3 HIS+ 98 - HN HIS+ 98 12.500% * 99.2351% (0.76 10.0 3.02 27.32) = 99.235% kept HA1 GLY 58 - HN HIS+ 98 12.500% * 0.1468% (0.26 1.0 0.09 0.02) = 0.147% HE3 LYS+ 117 - HN HIS+ 98 12.500% * 0.1296% (0.99 1.0 0.02 0.02) = 0.130% HE3 LYS+ 108 - HN HIS+ 98 12.500% * 0.1296% (0.99 1.0 0.02 0.02) = 0.130% HE3 LYS+ 72 - HN HIS+ 98 12.500% * 0.1287% (0.99 1.0 0.02 0.02) = 0.129% HE3 LYS+ 81 - HN HIS+ 98 12.500% * 0.1228% (0.94 1.0 0.02 0.02) = 0.123% HD2 ARG+ 53 - HN HIS+ 98 12.500% * 0.0632% (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% Peak 183 (4.80, 9.47, 124.72 ppm): 7 chemical-shift based assignments, quality = 0.482, support = 1.75, residual support = 5.37: * O HA MET 97 - HN HIS+ 98 14.286% * 99.4411% (0.48 10.0 1.76 5.40) = 99.441% kept HA GLU- 107 - HN HIS+ 98 14.286% * 0.2008% (0.86 1.0 0.02 0.02) = 0.201% HA LYS+ 113 - HN HIS+ 98 14.286% * 0.1218% (0.52 1.0 0.02 0.02) = 0.122% HA PRO 116 - HN HIS+ 98 14.286% * 0.0715% (0.31 1.0 0.02 0.02) = 0.071% HA ASN 15 - HN HIS+ 98 14.286% * 0.0644% (0.28 1.0 0.02 0.02) = 0.064% HA ASN 89 - HN HIS+ 98 14.286% * 0.0546% (0.23 1.0 0.02 0.02) = 0.055% HA ASP- 115 - HN HIS+ 98 14.286% * 0.0458% (0.20 1.0 0.02 0.02) = 0.046% Peak 184 (0.70, 9.47, 124.72 ppm): 10 chemical-shift based assignments, quality = 0.837, support = 0.701, residual support = 0.56: HG LEU 67 - HN HIS+ 98 10.000% * 33.6531% (0.96 0.86 0.48) = 33.653% kept QD1 ILE 19 - HN HIS+ 98 10.000% * 24.3000% (0.86 0.69 0.88) = 24.300% kept HG12 ILE 19 - HN HIS+ 98 10.000% * 20.4063% (0.76 0.66 0.88) = 20.406% kept QG2 VAL 94 - HN HIS+ 98 10.000% * 18.7286% (0.80 0.58 0.02) = 18.729% kept HG2 PRO 59 - HN HIS+ 98 10.000% * 0.7656% (0.94 0.02 0.02) = 0.766% HB2 LEU 9 - HN HIS+ 98 10.000% * 0.7656% (0.94 0.02 2.16) = 0.766% QG2 ILE 101 - HN HIS+ 98 10.000% * 0.5559% (0.68 0.02 0.33) = 0.556% QG2 ILE 48 - HN HIS+ 98 10.000% * 0.4582% (0.56 0.02 0.02) = 0.458% QG1 VAL 62 - HN HIS+ 98 10.000% * 0.2250% (0.28 0.02 0.02) = 0.225% QG2 VAL 40 - HN HIS+ 98 10.000% * 0.1417% (0.17 0.02 0.02) = 0.142% Peak 185 (4.38, 8.93, 124.84 ppm): 28 chemical-shift based assignments, quality = 0.626, support = 1.27, residual support = 0.346: HA ASN 89 - HN THR 96 3.571% * 45.8932% (0.61 1.91 0.36) = 45.893% kept HA VAL 73 - HN THR 96 3.571% * 29.7428% (0.79 0.95 0.34) = 29.743% kept HA SER 88 - HN THR 96 3.571% * 14.3483% (0.67 0.54 0.14) = 14.348% kept HA LYS+ 60 - HN THR 96 3.571% * 1.9985% (0.67 0.08 0.02) = 1.999% kept HA VAL 73 - HN LEU 17 3.571% * 1.9084% (0.06 0.81 0.32) = 1.908% kept HA ASN 89 - HN LEU 17 3.571% * 1.7570% (0.05 0.98 2.91) = 1.757% kept HA LYS+ 117 - HN THR 96 3.571% * 0.8394% (0.25 0.09 0.02) = 0.839% HA TRP 51 - HN THR 96 3.571% * 0.6342% (0.80 0.02 0.02) = 0.634% HA ASN 57 - HN THR 96 3.571% * 0.5855% (0.74 0.02 0.02) = 0.585% HA ALA 37 - HN THR 96 3.571% * 0.5688% (0.72 0.02 0.02) = 0.569% HA THR 38 - HN THR 96 3.571% * 0.4605% (0.58 0.02 0.02) = 0.461% HB3 HIS+ 4 - HN THR 96 3.571% * 0.3337% (0.42 0.02 0.02) = 0.334% HA2 GLY 26 - HN THR 96 3.571% * 0.2607% (0.33 0.02 0.02) = 0.261% HA MET 1 - HN THR 96 3.571% * 0.1412% (0.18 0.02 0.02) = 0.141% HA THR 24 - HN THR 96 3.571% * 0.0979% (0.12 0.02 0.02) = 0.098% HA1 GLY 26 - HN THR 96 3.571% * 0.0979% (0.12 0.02 0.02) = 0.098% HA TRP 51 - HN LEU 17 3.571% * 0.0475% (0.06 0.02 0.02) = 0.047% HA ASN 57 - HN LEU 17 3.571% * 0.0438% (0.06 0.02 0.02) = 0.044% HA ALA 37 - HN LEU 17 3.571% * 0.0426% (0.05 0.02 0.02) = 0.043% HA SER 88 - HN LEU 17 3.571% * 0.0396% (0.05 0.02 0.02) = 0.040% HA LYS+ 60 - HN LEU 17 3.571% * 0.0396% (0.05 0.02 0.02) = 0.040% HA THR 38 - HN LEU 17 3.571% * 0.0345% (0.04 0.02 0.02) = 0.034% HB3 HIS+ 4 - HN LEU 17 3.571% * 0.0250% (0.03 0.02 1.52) = 0.025% HA2 GLY 26 - HN LEU 17 3.571% * 0.0195% (0.02 0.02 0.02) = 0.020% HA LYS+ 117 - HN LEU 17 3.571% * 0.0146% (0.02 0.02 0.02) = 0.015% HA MET 1 - HN LEU 17 3.571% * 0.0106% (0.01 0.02 0.02) = 0.011% HA1 GLY 26 - HN LEU 17 3.571% * 0.0073% (0.01 0.02 0.02) = 0.007% HA THR 24 - HN LEU 17 3.571% * 0.0073% (0.01 0.02 0.02) = 0.007% Peak 186 (3.91, 8.93, 124.84 ppm): 24 chemical-shift based assignments, quality = 0.685, support = 2.01, residual support = 5.45: * O HA THR 96 - HN THR 96 4.167% * 56.7983% (0.80 10.0 2.05 5.81) = 56.798% kept O HB THR 96 - HN THR 96 4.167% * 36.7431% (0.52 10.0 2.05 5.81) = 36.743% kept HA ASN 89 - HN THR 96 4.167% * 5.1270% (0.76 1.0 1.91 0.36) = 5.127% kept HA LEU 74 - HN THR 96 4.167% * 0.8968% (0.45 1.0 0.56 0.43) = 0.897% HA ASN 89 - HN LEU 17 4.167% * 0.1963% (0.06 1.0 0.98 2.91) = 0.196% HB2 SER 77 - HN THR 96 4.167% * 0.0563% (0.79 1.0 0.02 0.02) = 0.056% HA LYS+ 44 - HN THR 96 4.167% * 0.0479% (0.68 1.0 0.02 0.02) = 0.048% HB3 SER 77 - HN THR 96 4.167% * 0.0288% (0.41 1.0 0.02 0.02) = 0.029% HB3 CYS 121 - HN THR 96 4.167% * 0.0255% (0.36 1.0 0.02 0.02) = 0.025% HA VAL 122 - HN THR 96 4.167% * 0.0194% (0.27 1.0 0.02 0.02) = 0.019% HA ILE 48 - HN THR 96 4.167% * 0.0153% (0.22 1.0 0.02 0.02) = 0.015% HD2 PRO 86 - HN THR 96 4.167% * 0.0112% (0.16 1.0 0.02 0.02) = 0.011% HD2 PRO 116 - HN THR 96 4.167% * 0.0088% (0.12 1.0 0.02 0.02) = 0.009% HA THR 96 - HN LEU 17 4.167% * 0.0043% (0.06 1.0 0.02 0.02) = 0.004% HB2 SER 77 - HN LEU 17 4.167% * 0.0042% (0.06 1.0 0.02 0.02) = 0.004% HA LYS+ 44 - HN LEU 17 4.167% * 0.0036% (0.05 1.0 0.02 0.02) = 0.004% HB THR 96 - HN LEU 17 4.167% * 0.0027% (0.04 1.0 0.02 0.02) = 0.003% HA LEU 74 - HN LEU 17 4.167% * 0.0024% (0.03 1.0 0.02 1.52) = 0.002% HB3 SER 77 - HN LEU 17 4.167% * 0.0022% (0.03 1.0 0.02 0.02) = 0.002% HB3 CYS 121 - HN LEU 17 4.167% * 0.0019% (0.03 1.0 0.02 0.02) = 0.002% HA VAL 122 - HN LEU 17 4.167% * 0.0014% (0.02 1.0 0.02 0.02) = 0.001% HA ILE 48 - HN LEU 17 4.167% * 0.0011% (0.02 1.0 0.02 0.02) = 0.001% HD2 PRO 86 - HN LEU 17 4.167% * 0.0008% (0.01 1.0 0.02 0.02) = 0.001% HD2 PRO 116 - HN LEU 17 4.167% * 0.0007% (0.01 1.0 0.02 0.02) = 0.001% 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): 8 chemical-shift based assignments, quality = 0.755, support = 2.33, residual support = 5.52: QG2 THR 95 - HN THR 96 12.500% * 68.5019% (0.79 2.94 7.85) = 68.502% kept HG LEU 74 - HN THR 96 12.500% * 24.9855% (0.78 1.09 0.43) = 24.985% kept QG2 THR 79 - HN THR 96 12.500% * 2.6152% (0.45 0.20 0.02) = 2.615% kept HG LEU 74 - HN LEU 17 12.500% * 2.3691% (0.06 1.38 1.52) = 2.369% kept QG2 THR 61 - HN THR 96 12.500% * 1.4665% (0.16 0.31 0.02) = 1.466% kept QG2 THR 95 - HN LEU 17 12.500% * 0.0349% (0.06 0.02 0.02) = 0.035% QG2 THR 79 - HN LEU 17 12.500% * 0.0200% (0.03 0.02 0.02) = 0.020% QG2 THR 61 - HN LEU 17 12.500% * 0.0070% (0.01 0.02 0.02) = 0.007% Peak 189 (4.87, 8.93, 124.84 ppm): 8 chemical-shift based assignments, quality = 0.781, support = 2.64, residual support = 7.52: * O HA THR 95 - HN THR 96 12.500% * 92.3696% (0.80 10.0 2.72 7.85) = 92.370% kept HA ILE 19 - HN THR 96 12.500% * 5.8744% (0.64 1.0 1.59 4.44) = 5.874% kept HA ASN 89 - HN THR 96 12.500% * 1.6251% (0.15 1.0 1.91 0.36) = 1.625% kept HA ASN 89 - HN LEU 17 12.500% * 0.0622% (0.01 1.0 0.98 2.91) = 0.062% HA SER 69 - HN THR 96 12.500% * 0.0523% (0.45 1.0 0.02 0.02) = 0.052% HA THR 95 - HN LEU 17 12.500% * 0.0069% (0.06 1.0 0.02 0.02) = 0.007% HA ILE 19 - HN LEU 17 12.500% * 0.0055% (0.05 1.0 0.02 0.67) = 0.006% HA SER 69 - HN LEU 17 12.500% * 0.0039% (0.03 1.0 0.02 0.02) = 0.004% Peak 190 (0.71, 8.93, 124.84 ppm): 22 chemical-shift based assignments, quality = 0.491, support = 2.15, residual support = 2.86: QD1 ILE 19 - HN THR 96 4.545% * 27.2439% (0.42 3.38 4.44) = 27.244% kept QG2 VAL 94 - HN THR 96 4.545% * 19.0681% (0.36 2.78 3.85) = 19.068% kept HG12 ILE 19 - HN THR 96 4.545% * 18.4560% (0.33 2.93 4.44) = 18.456% kept HB2 LEU 9 - HN THR 96 4.545% * 8.8718% (0.77 0.60 0.95) = 8.872% kept HG2 PRO 59 - HN THR 96 4.545% * 8.7533% (0.77 0.59 0.02) = 8.753% kept HG LEU 67 - HN THR 96 4.545% * 5.6873% (0.76 0.39 0.02) = 5.687% kept QG2 ILE 101 - HN THR 96 4.545% * 4.6861% (0.77 0.32 0.02) = 4.686% kept QG2 ILE 48 - HN THR 96 4.545% * 4.0089% (0.72 0.29 0.02) = 4.009% kept QD2 LEU 9 - HN THR 96 4.545% * 1.3083% (0.20 0.34 0.95) = 1.308% kept HG12 ILE 19 - HN LEU 17 4.545% * 0.8126% (0.02 1.72 0.67) = 0.813% QD1 ILE 19 - HN LEU 17 4.545% * 0.7492% (0.03 1.24 0.67) = 0.749% QG2 VAL 40 - HN THR 96 4.545% * 0.1374% (0.36 0.02 0.02) = 0.137% QD1 ILE 68 - HN THR 96 4.545% * 0.0764% (0.20 0.02 0.02) = 0.076% QG2 ILE 101 - HN LEU 17 4.545% * 0.0221% (0.06 0.02 0.02) = 0.022% HB2 LEU 9 - HN LEU 17 4.545% * 0.0221% (0.06 0.02 0.02) = 0.022% HG2 PRO 59 - HN LEU 17 4.545% * 0.0221% (0.06 0.02 0.02) = 0.022% HG LEU 67 - HN LEU 17 4.545% * 0.0217% (0.06 0.02 0.02) = 0.022% QG2 ILE 48 - HN LEU 17 4.545% * 0.0206% (0.05 0.02 0.02) = 0.021% QG2 VAL 94 - HN LEU 17 4.545% * 0.0103% (0.03 0.02 0.02) = 0.010% QG2 VAL 40 - HN LEU 17 4.545% * 0.0103% (0.03 0.02 0.02) = 0.010% QD2 LEU 9 - HN LEU 17 4.545% * 0.0057% (0.01 0.02 0.02) = 0.006% QD1 ILE 68 - HN LEU 17 4.545% * 0.0057% (0.01 0.02 0.02) = 0.006% Peak 191 (1.65, 8.93, 124.84 ppm): 20 chemical-shift based assignments, quality = 0.697, support = 1.32, residual support = 1.44: HB3 MET 97 - HN THR 96 5.000% * 81.4516% (0.77 1.58 1.76) = 81.452% kept HB3 MET 126 - HN THR 96 5.000% * 5.3100% (0.27 0.29 0.02) = 5.310% kept HB2 LEU 67 - HN THR 96 5.000% * 4.7856% (0.30 0.24 0.02) = 4.786% kept HB2 HIS+ 8 - HN THR 96 5.000% * 4.6380% (0.64 0.11 0.02) = 4.638% kept HB3 ARG+ 22 - HN THR 96 5.000% * 1.0603% (0.79 0.02 0.02) = 1.060% kept HG3 ARG+ 84 - HN THR 96 5.000% * 0.8566% (0.64 0.02 0.02) = 0.857% HG LEU 23 - HN THR 96 5.000% * 0.4796% (0.36 0.02 0.02) = 0.480% HG12 ILE 101 - HN THR 96 5.000% * 0.4015% (0.30 0.02 0.02) = 0.401% HB ILE 100 - HN THR 96 5.000% * 0.4015% (0.30 0.02 0.02) = 0.401% HG3 LYS+ 78 - HN THR 96 5.000% * 0.1651% (0.12 0.02 0.02) = 0.165% HB3 ARG+ 22 - HN LEU 17 5.000% * 0.0793% (0.06 0.02 0.02) = 0.079% HB3 MET 97 - HN LEU 17 5.000% * 0.0773% (0.06 0.02 0.02) = 0.077% HG3 ARG+ 84 - HN LEU 17 5.000% * 0.0641% (0.05 0.02 0.13) = 0.064% HB2 HIS+ 8 - HN LEU 17 5.000% * 0.0641% (0.05 0.02 0.02) = 0.064% HG LEU 23 - HN LEU 17 5.000% * 0.0359% (0.03 0.02 0.02) = 0.036% HG12 ILE 101 - HN LEU 17 5.000% * 0.0300% (0.02 0.02 0.02) = 0.030% HB2 LEU 67 - HN LEU 17 5.000% * 0.0300% (0.02 0.02 0.02) = 0.030% HB ILE 100 - HN LEU 17 5.000% * 0.0300% (0.02 0.02 0.02) = 0.030% HB3 MET 126 - HN LEU 17 5.000% * 0.0273% (0.02 0.02 0.02) = 0.027% HG3 LYS+ 78 - HN LEU 17 5.000% * 0.0124% (0.01 0.02 0.02) = 0.012% Peak 192 (8.48, 8.93, 124.84 ppm): 12 chemical-shift based assignments, quality = 0.561, support = 1.88, residual support = 3.39: HN GLU- 18 - HN THR 96 8.333% * 59.0955% (0.80 1.09 0.49) = 59.095% kept HN GLU- 18 - HN LEU 17 8.333% * 21.6388% (0.06 5.34 14.21) = 21.639% kept HN HIS+ 4 - HN THR 96 8.333% * 9.0393% (0.25 0.54 0.02) = 9.039% kept HN GLU- 10 - HN THR 96 8.333% * 6.8389% (0.76 0.13 0.02) = 6.839% kept HN HIS+ 4 - HN LEU 17 8.333% * 1.5026% (0.02 1.20 1.52) = 1.503% kept HN GLY 92 - HN THR 96 8.333% * 0.7861% (0.58 0.02 0.02) = 0.786% HN GLU- 107 - HN THR 96 8.333% * 0.5270% (0.39 0.02 0.02) = 0.527% HN LYS+ 113 - HN THR 96 8.333% * 0.3693% (0.27 0.02 0.02) = 0.369% HN GLU- 10 - HN LEU 17 8.333% * 0.0766% (0.06 0.02 0.02) = 0.077% HN GLY 92 - HN LEU 17 8.333% * 0.0588% (0.04 0.02 0.02) = 0.059% HN GLU- 107 - HN LEU 17 8.333% * 0.0394% (0.03 0.02 0.02) = 0.039% HN LYS+ 113 - HN LEU 17 8.333% * 0.0276% (0.02 0.02 0.02) = 0.028% Peak 193 (4.21, 8.22, 124.48 ppm): 17 chemical-shift based assignments, quality = 0.946, support = 1.35, residual support = 6.88: * O HA ALA 11 - HN ALA 11 5.882% * 85.5629% (0.97 10.0 1.43 7.75) = 85.563% kept HA GLU- 12 - HN ALA 11 5.882% * 6.6992% (0.92 1.0 1.19 3.51) = 6.699% kept HA ASN 89 - HN ALA 11 5.882% * 3.7597% (0.91 1.0 0.67 0.22) = 3.760% kept HB3 HIS+ 14 - HN ALA 11 5.882% * 2.0571% (0.95 1.0 0.35 0.02) = 2.057% kept HA LYS+ 44 - HN ALA 11 5.882% * 1.0768% (0.20 1.0 0.87 0.67) = 1.077% kept HA GLU- 109 - HN ALA 11 5.882% * 0.1129% (0.92 1.0 0.02 0.02) = 0.113% HB3 SER 49 - HN ALA 11 5.882% * 0.1102% (0.89 1.0 0.02 0.02) = 0.110% HA LYS+ 110 - HN ALA 11 5.882% * 0.1071% (0.87 1.0 0.02 0.02) = 0.107% HA ALA 42 - HN ALA 11 5.882% * 0.1036% (0.84 1.0 0.02 0.02) = 0.104% HA ASP- 82 - HN ALA 11 5.882% * 0.0867% (0.70 1.0 0.02 0.02) = 0.087% HA GLU- 18 - HN ALA 11 5.882% * 0.0628% (0.51 1.0 0.02 0.02) = 0.063% HA SER 49 - HN ALA 11 5.882% * 0.0581% (0.47 1.0 0.02 0.02) = 0.058% HA GLU- 64 - HN ALA 11 5.882% * 0.0535% (0.43 1.0 0.02 0.02) = 0.054% HA GLU- 54 - HN ALA 11 5.882% * 0.0491% (0.40 1.0 0.02 0.02) = 0.049% HA VAL 73 - HN ALA 11 5.882% * 0.0369% (0.30 1.0 0.02 0.02) = 0.037% HA HIS+ 8 - HN ALA 11 5.882% * 0.0368% (0.30 1.0 0.02 0.02) = 0.037% HA MET 126 - HN ALA 11 5.882% * 0.0266% (0.22 1.0 0.02 0.02) = 0.027% Peak 194 (8.21, 8.22, 124.48 ppm): 1 diagonal assignment: * HN ALA 11 - HN ALA 11 (0.97) kept Peak 195 (1.34, 8.22, 124.48 ppm): 8 chemical-shift based assignments, quality = 0.962, support = 1.5, residual support = 7.71: * O QB ALA 11 - HN ALA 11 12.500% * 99.5273% (0.97 10.0 1.51 7.75) = 99.527% kept HB2 LEU 17 - HN ALA 11 12.500% * 0.1222% (0.89 1.0 0.02 0.02) = 0.122% HG3 LYS+ 20 - HN ALA 11 12.500% * 0.0909% (0.67 1.0 0.02 0.02) = 0.091% HG LEU 74 - HN ALA 11 12.500% * 0.0809% (0.59 1.0 0.02 0.02) = 0.081% HG13 ILE 19 - HN ALA 11 12.500% * 0.0544% (0.40 1.0 0.02 0.02) = 0.054% HG3 ARG+ 22 - HN ALA 11 12.500% * 0.0497% (0.36 1.0 0.02 0.02) = 0.050% QB ALA 103 - HN ALA 11 12.500% * 0.0452% (0.33 1.0 0.02 0.02) = 0.045% QB ALA 91 - HN ALA 11 12.500% * 0.0295% (0.22 1.0 0.02 0.02) = 0.029% Peak 196 (4.78, 8.22, 124.48 ppm): 8 chemical-shift based assignments, quality = 0.86, support = 0.583, residual support = 0.163: HA ASP- 115 - HN ALA 11 12.500% * 53.1650% (0.97 0.78 0.11) = 53.165% kept HA PRO 116 - HN ALA 11 12.500% * 22.6731% (0.95 0.34 0.33) = 22.673% kept HA ASN 89 - HN ALA 11 12.500% * 11.8984% (0.25 0.67 0.22) = 11.898% kept HA LYS+ 113 - HN ALA 11 12.500% * 5.7875% (0.81 0.10 0.02) = 5.787% kept HA ASN 15 - HN ALA 11 12.500% * 5.6955% (0.96 0.08 0.02) = 5.695% kept HA VAL 40 - HN ALA 11 12.500% * 0.3033% (0.22 0.02 0.02) = 0.303% HA MET 118 - HN ALA 11 12.500% * 0.2386% (0.17 0.02 0.02) = 0.239% HA HIS+ 5 - HN ALA 11 12.500% * 0.2386% (0.17 0.02 0.02) = 0.239% Peak 197 (1.99, 8.22, 124.48 ppm): 12 chemical-shift based assignments, quality = 0.392, support = 0.336, residual support = 0.149: HG2 PRO 86 - HN ALA 11 8.333% * 41.0898% (0.51 0.30 0.11) = 41.090% kept HG2 PRO 116 - HN ALA 11 8.333% * 29.7991% (0.17 0.66 0.33) = 29.799% kept HB2 HIS+ 14 - HN ALA 11 8.333% * 9.7717% (0.43 0.08 0.02) = 9.772% kept HB2 LYS+ 108 - HN ALA 11 8.333% * 5.0930% (0.96 0.02 0.02) = 5.093% kept HB3 PRO 112 - HN ALA 11 8.333% * 3.2335% (0.15 0.08 0.02) = 3.233% kept HG3 PRO 104 - HN ALA 11 8.333% * 3.1166% (0.59 0.02 0.02) = 3.117% kept HB VAL 105 - HN ALA 11 8.333% * 2.1125% (0.40 0.02 0.02) = 2.112% kept HB2 GLU- 18 - HN ALA 11 8.333% * 1.7528% (0.33 0.02 0.02) = 1.753% kept HG2 GLU- 64 - HN ALA 11 8.333% * 1.4287% (0.27 0.02 0.02) = 1.429% kept HB3 GLU- 75 - HN ALA 11 8.333% * 0.9097% (0.17 0.02 0.02) = 0.910% HB3 GLU- 109 - HN ALA 11 8.333% * 0.8999% (0.17 0.02 0.02) = 0.900% HB VAL 122 - HN ALA 11 8.333% * 0.7928% (0.15 0.02 0.02) = 0.793% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 198 (3.96, 8.22, 124.48 ppm): 9 chemical-shift based assignments, quality = 0.91, support = 0.712, residual support = 0.426: HA LYS+ 44 - HN ALA 11 11.111% * 50.3891% (0.95 0.87 0.67) = 50.389% kept HA ASN 89 - HN ALA 11 11.111% * 38.6611% (0.95 0.67 0.22) = 38.661% kept HA1 GLY 114 - HN ALA 11 11.111% * 6.5135% (0.63 0.17 0.02) = 6.513% kept HA1 GLY 92 - HN ALA 11 11.111% * 1.4940% (0.22 0.11 0.02) = 1.494% kept HA ALA 93 - HN ALA 11 11.111% * 1.1796% (0.97 0.02 0.02) = 1.180% kept HB3 SER 77 - HN ALA 11 11.111% * 1.1291% (0.93 0.02 0.02) = 1.129% kept HB THR 95 - HN ALA 11 11.111% * 0.2626% (0.22 0.02 0.02) = 0.263% HA VAL 122 - HN ALA 11 11.111% * 0.2066% (0.17 0.02 0.02) = 0.207% HA ILE 48 - HN ALA 11 11.111% * 0.1644% (0.13 0.02 0.02) = 0.164% Peak 199 (4.54, 8.49, 124.44 ppm): 18 chemical-shift based assignments, quality = 0.766, support = 2.41, residual support = 7.9: * O HA GLU- 10 - HN GLU- 10 5.556% * 49.5208% (0.87 10.0 1.71 2.53) = 49.521% kept O HA LEU 17 - HN GLU- 18 5.556% * 46.3272% (0.70 10.0 3.25 14.21) = 46.327% kept HA ASN 89 - HN GLU- 18 5.556% * 2.8260% (0.44 1.0 1.93 2.30) = 2.826% kept HA VAL 73 - HN GLU- 18 5.556% * 0.4993% (0.19 1.0 0.80 0.02) = 0.499% HA ASN 89 - HN GLU- 10 5.556% * 0.3380% (0.48 1.0 0.21 0.02) = 0.338% HA VAL 73 - HN GLU- 107 5.556% * 0.0946% (0.04 1.0 0.67 0.02) = 0.095% HA ASN 89 - HN GLU- 107 5.556% * 0.0571% (0.10 1.0 0.17 0.02) = 0.057% HA GLU- 10 - HN GLU- 18 5.556% * 0.0534% (0.80 1.0 0.02 0.02) = 0.053% HA LEU 17 - HN GLU- 10 5.556% * 0.0503% (0.76 1.0 0.02 0.02) = 0.050% HA THR 79 - HN GLU- 10 5.556% * 0.0484% (0.73 1.0 0.02 0.02) = 0.048% HA THR 79 - HN GLU- 18 5.556% * 0.0446% (0.67 1.0 0.02 0.02) = 0.045% HA LYS+ 78 - HN GLU- 10 5.556% * 0.0443% (0.67 1.0 0.02 0.02) = 0.044% HA LYS+ 78 - HN GLU- 18 5.556% * 0.0408% (0.61 1.0 0.02 0.02) = 0.041% HA VAL 73 - HN GLU- 10 5.556% * 0.0136% (0.20 1.0 0.02 0.02) = 0.014% HA GLU- 10 - HN GLU- 107 5.556% * 0.0120% (0.18 1.0 0.02 0.02) = 0.012% HA LEU 17 - HN GLU- 107 5.556% * 0.0104% (0.16 1.0 0.02 0.02) = 0.010% HA THR 79 - HN GLU- 107 5.556% * 0.0100% (0.15 1.0 0.02 0.02) = 0.010% HA LYS+ 78 - HN GLU- 107 5.556% * 0.0091% (0.14 1.0 0.02 0.02) = 0.009% Peak 200 (1.74, 8.49, 124.44 ppm): 18 chemical-shift based assignments, quality = 0.398, support = 1.35, residual support = 0.484: HB2 GLN 16 - HN GLU- 18 5.556% * 50.7370% (0.22 2.30 0.88) = 50.737% kept HB3 GLU- 50 - HN GLU- 18 5.556% * 35.2248% (0.72 0.50 0.10) = 35.225% kept HB2 HIS+ 7 - HN GLU- 10 5.556% * 3.5936% (0.46 0.08 0.02) = 3.594% kept HB3 GLU- 50 - HN GLU- 107 5.556% * 1.9383% (0.16 0.12 0.02) = 1.938% kept HB3 GLU- 50 - HN GLU- 10 5.556% * 1.5453% (0.78 0.02 0.02) = 1.545% kept HB VAL 94 - HN GLU- 10 5.556% * 0.9756% (0.49 0.02 0.02) = 0.976% HB VAL 94 - HN GLU- 18 5.556% * 0.8982% (0.45 0.02 0.02) = 0.898% HB2 HIS+ 7 - HN GLU- 18 5.556% * 0.8347% (0.42 0.02 0.02) = 0.835% HB2 ARG+ 84 - HN GLU- 10 5.556% * 0.7725% (0.39 0.02 0.02) = 0.773% HB ILE 48 - HN GLU- 10 5.556% * 0.7725% (0.39 0.02 0.02) = 0.773% HB2 ARG+ 84 - HN GLU- 18 5.556% * 0.7113% (0.36 0.02 0.02) = 0.711% HB ILE 48 - HN GLU- 18 5.556% * 0.7113% (0.36 0.02 0.02) = 0.711% HB2 GLN 16 - HN GLU- 10 5.556% * 0.4791% (0.24 0.02 0.02) = 0.479% HB VAL 94 - HN GLU- 107 5.556% * 0.2012% (0.10 0.02 0.02) = 0.201% HB2 HIS+ 7 - HN GLU- 107 5.556% * 0.1870% (0.09 0.02 0.02) = 0.187% HB ILE 48 - HN GLU- 107 5.556% * 0.1594% (0.08 0.02 0.02) = 0.159% HB2 ARG+ 84 - HN GLU- 107 5.556% * 0.1594% (0.08 0.02 0.02) = 0.159% HB2 GLN 16 - HN GLU- 107 5.556% * 0.0988% (0.05 0.02 0.02) = 0.099% Peak 201 (0.91, 8.49, 124.44 ppm): 36 chemical-shift based assignments, quality = 0.348, support = 1.34, residual support = 5.71: QD1 LEU 17 - HN GLU- 18 2.778% * 37.7721% (0.27 2.75 14.21) = 37.772% kept HG LEU 74 - HN GLU- 18 2.778% * 23.0767% (0.48 0.96 1.47) = 23.077% kept QG1 VAL 47 - HN GLU- 18 2.778% * 9.9832% (0.61 0.32 0.02) = 9.983% kept HG LEU 74 - HN GLU- 10 2.778% * 5.4385% (0.52 0.21 0.02) = 5.438% kept QG2 VAL 73 - HN GLU- 18 2.778% * 5.1952% (0.70 0.15 0.02) = 5.195% kept QG2 VAL 105 - HN GLU- 107 2.778% * 3.6969% (0.13 0.56 0.02) = 3.697% kept HG LEU 74 - HN GLU- 107 2.778% * 2.0579% (0.11 0.38 0.02) = 2.058% kept QG2 VAL 73 - HN GLU- 107 2.778% * 1.6042% (0.16 0.20 0.02) = 1.604% kept HG13 ILE 68 - HN GLU- 10 2.778% * 0.7856% (0.78 0.02 0.02) = 0.786% QG2 VAL 73 - HN GLU- 10 2.778% * 0.7599% (0.76 0.02 0.02) = 0.760% QG2 VAL 87 - HN GLU- 10 2.778% * 0.7599% (0.76 0.02 0.02) = 0.760% QD1 LEU 67 - HN GLU- 10 2.778% * 0.7317% (0.73 0.02 0.02) = 0.732% QG2 VAL 99 - HN GLU- 10 2.778% * 0.7317% (0.73 0.02 0.02) = 0.732% HG13 ILE 68 - HN GLU- 18 2.778% * 0.7234% (0.72 0.02 0.02) = 0.723% QG2 VAL 87 - HN GLU- 18 2.778% * 0.6997% (0.70 0.02 0.02) = 0.700% QD1 LEU 67 - HN GLU- 18 2.778% * 0.6737% (0.67 0.02 0.02) = 0.674% QG2 VAL 99 - HN GLU- 18 2.778% * 0.6737% (0.67 0.02 0.02) = 0.674% QG1 VAL 47 - HN GLU- 10 2.778% * 0.6695% (0.67 0.02 0.02) = 0.669% QG2 VAL 105 - HN GLU- 10 2.778% * 0.6361% (0.63 0.02 0.02) = 0.636% QG2 VAL 105 - HN GLU- 18 2.778% * 0.5857% (0.58 0.02 0.02) = 0.586% QG1 VAL 80 - HN GLU- 10 2.778% * 0.2988% (0.30 0.02 0.02) = 0.299% QD1 LEU 17 - HN GLU- 10 2.778% * 0.2988% (0.30 0.02 0.02) = 0.299% QG1 VAL 80 - HN GLU- 18 2.778% * 0.2751% (0.27 0.02 0.02) = 0.275% QG1 VAL 105 - HN GLU- 10 2.778% * 0.2704% (0.27 0.02 0.02) = 0.270% QG1 VAL 105 - HN GLU- 18 2.778% * 0.2490% (0.25 0.02 0.02) = 0.249% QG1 VAL 122 - HN GLU- 10 2.778% * 0.1950% (0.19 0.02 0.02) = 0.195% QG1 VAL 122 - HN GLU- 18 2.778% * 0.1796% (0.18 0.02 0.02) = 0.180% HG13 ILE 68 - HN GLU- 107 2.778% * 0.1621% (0.16 0.02 0.02) = 0.162% QG2 VAL 87 - HN GLU- 107 2.778% * 0.1567% (0.16 0.02 0.02) = 0.157% QD1 LEU 67 - HN GLU- 107 2.778% * 0.1509% (0.15 0.02 0.02) = 0.151% QG2 VAL 99 - HN GLU- 107 2.778% * 0.1509% (0.15 0.02 0.02) = 0.151% QG1 VAL 47 - HN GLU- 107 2.778% * 0.1381% (0.14 0.02 0.02) = 0.138% QD1 LEU 17 - HN GLU- 107 2.778% * 0.0616% (0.06 0.02 0.02) = 0.062% QG1 VAL 80 - HN GLU- 107 2.778% * 0.0616% (0.06 0.02 0.02) = 0.062% QG1 VAL 105 - HN GLU- 107 2.778% * 0.0558% (0.06 0.02 0.02) = 0.056% QG1 VAL 122 - HN GLU- 107 2.778% * 0.0402% (0.04 0.02 0.02) = 0.040% Peak 202 (8.50, 8.49, 124.44 ppm): 2 diagonal assignments: * HN GLU- 10 - HN GLU- 10 (0.63) kept HN GLU- 18 - HN GLU- 18 (0.42) kept Peak 203 (1.99, 8.49, 124.44 ppm): 33 chemical-shift based assignments, quality = 0.237, support = 2.13, residual support = 12.0: O HB2 GLU- 18 - HN GLU- 18 3.030% * 92.1464% (0.25 10.0 2.23 12.91) = 92.146% kept HB2 LYS+ 108 - HN GLU- 107 3.030% * 5.1334% (0.18 1.0 1.54 2.43) = 5.133% kept HB2 LYS+ 108 - HN GLU- 10 3.030% * 0.3235% (0.87 1.0 0.02 0.02) = 0.324% HB2 LYS+ 108 - HN GLU- 18 3.030% * 0.2979% (0.80 1.0 0.02 0.02) = 0.298% HG3 PRO 104 - HN GLU- 10 3.030% * 0.2098% (0.56 1.0 0.02 0.02) = 0.210% HG3 PRO 104 - HN GLU- 18 3.030% * 0.1931% (0.52 1.0 0.02 0.02) = 0.193% HG2 PRO 86 - HN GLU- 10 3.030% * 0.1578% (0.42 1.0 0.02 0.02) = 0.158% HG2 PRO 86 - HN GLU- 18 3.030% * 0.1453% (0.39 1.0 0.02 0.02) = 0.145% HB2 HIS+ 14 - HN GLU- 10 3.030% * 0.1333% (0.36 1.0 0.02 0.02) = 0.133% HB2 HIS+ 14 - HN GLU- 18 3.030% * 0.1227% (0.33 1.0 0.02 0.02) = 0.123% HB VAL 105 - HN GLU- 10 3.030% * 0.1217% (0.33 1.0 0.02 0.02) = 0.122% HB VAL 105 - HN GLU- 18 3.030% * 0.1120% (0.30 1.0 0.02 0.02) = 0.112% HB2 GLU- 18 - HN GLU- 10 3.030% * 0.1001% (0.27 1.0 0.02 0.02) = 0.100% HG2 GLU- 64 - HN GLU- 10 3.030% * 0.0809% (0.22 1.0 0.02 0.02) = 0.081% HG2 GLU- 64 - HN GLU- 18 3.030% * 0.0744% (0.20 1.0 0.02 0.02) = 0.074% HB3 GLU- 109 - HN GLU- 10 3.030% * 0.0642% (0.17 1.0 0.02 0.02) = 0.064% HB3 GLU- 109 - HN GLU- 18 3.030% * 0.0591% (0.16 1.0 0.02 0.02) = 0.059% HB VAL 122 - HN GLU- 10 3.030% * 0.0568% (0.15 1.0 0.02 0.02) = 0.057% HB3 GLU- 75 - HN GLU- 10 3.030% * 0.0556% (0.15 1.0 0.02 0.02) = 0.056% HB VAL 122 - HN GLU- 18 3.030% * 0.0523% (0.14 1.0 0.02 0.02) = 0.052% HB3 GLU- 75 - HN GLU- 18 3.030% * 0.0512% (0.14 1.0 0.02 0.02) = 0.051% HG2 PRO 116 - HN GLU- 10 3.030% * 0.0500% (0.13 1.0 0.02 0.02) = 0.050% HG2 PRO 116 - HN GLU- 18 3.030% * 0.0461% (0.12 1.0 0.02 0.02) = 0.046% HG3 PRO 104 - HN GLU- 107 3.030% * 0.0433% (0.12 1.0 0.02 0.02) = 0.043% HG2 PRO 86 - HN GLU- 107 3.030% * 0.0326% (0.09 1.0 0.02 0.02) = 0.033% HB2 HIS+ 14 - HN GLU- 107 3.030% * 0.0275% (0.07 1.0 0.02 0.02) = 0.027% HB VAL 105 - HN GLU- 107 3.030% * 0.0251% (0.07 1.0 0.02 0.02) = 0.025% HB2 GLU- 18 - HN GLU- 107 3.030% * 0.0206% (0.06 1.0 0.02 0.16) = 0.021% HG2 GLU- 64 - HN GLU- 107 3.030% * 0.0167% (0.04 1.0 0.02 0.02) = 0.017% HB3 GLU- 109 - HN GLU- 107 3.030% * 0.0132% (0.04 1.0 0.02 0.02) = 0.013% HB VAL 122 - HN GLU- 107 3.030% * 0.0117% (0.03 1.0 0.02 0.02) = 0.012% HB3 GLU- 75 - HN GLU- 107 3.030% * 0.0115% (0.03 1.0 0.02 0.02) = 0.011% HG2 PRO 116 - HN GLU- 107 3.030% * 0.0103% (0.03 1.0 0.02 0.02) = 0.010% Peak 204 (1.58, 8.49, 124.44 ppm): 36 chemical-shift based assignments, quality = 0.503, support = 3.08, residual support = 9.79: HG LEU 17 - HN GLU- 18 2.778% * 44.2767% (0.61 3.72 14.21) = 44.277% kept HB ILE 19 - HN GLU- 18 2.778% * 27.0122% (0.64 2.17 3.53) = 27.012% kept HB3 LEU 17 - HN GLU- 18 2.778% * 17.8137% (0.22 4.11 14.21) = 17.814% kept * HB3 LEU 9 - HN GLU- 10 2.778% * 7.4708% (0.24 1.59 0.11) = 7.471% kept HB3 LYS+ 32 - HN GLU- 10 2.778% * 0.2934% (0.76 0.02 0.02) = 0.293% HG3 LYS+ 60 - HN GLU- 10 2.778% * 0.2825% (0.73 0.02 0.02) = 0.283% HB ILE 19 - HN GLU- 10 2.778% * 0.2709% (0.70 0.02 0.02) = 0.271% HB3 LYS+ 32 - HN GLU- 18 2.778% * 0.2702% (0.70 0.02 0.62) = 0.270% HG3 LYS+ 60 - HN GLU- 18 2.778% * 0.2601% (0.67 0.02 0.02) = 0.260% HG LEU 17 - HN GLU- 10 2.778% * 0.2585% (0.67 0.02 0.02) = 0.259% HD3 LYS+ 60 - HN GLU- 10 2.778% * 0.2324% (0.60 0.02 0.02) = 0.232% HD3 LYS+ 60 - HN GLU- 18 2.778% * 0.2139% (0.55 0.02 0.02) = 0.214% HD3 LYS+ 32 - HN GLU- 10 2.778% * 0.1270% (0.33 0.02 0.02) = 0.127% HD3 LYS+ 32 - HN GLU- 18 2.778% * 0.1169% (0.30 0.02 0.62) = 0.117% HB3 LEU 90 - HN GLU- 10 2.778% * 0.0940% (0.24 0.02 0.02) = 0.094% HB3 LEU 17 - HN GLU- 10 2.778% * 0.0940% (0.24 0.02 0.02) = 0.094% HB3 LEU 9 - HN GLU- 18 2.778% * 0.0866% (0.22 0.02 0.02) = 0.087% HB3 LEU 90 - HN GLU- 18 2.778% * 0.0866% (0.22 0.02 0.02) = 0.087% HG13 ILE 29 - HN GLU- 10 2.778% * 0.0669% (0.17 0.02 0.02) = 0.067% HG13 ILE 29 - HN GLU- 18 2.778% * 0.0616% (0.16 0.02 0.02) = 0.062% HB3 LYS+ 32 - HN GLU- 107 2.778% * 0.0605% (0.16 0.02 0.02) = 0.061% HG3 LYS+ 110 - HN GLU- 10 2.778% * 0.0592% (0.15 0.02 0.02) = 0.059% HG3 LYS+ 60 - HN GLU- 107 2.778% * 0.0583% (0.15 0.02 0.02) = 0.058% HB ILE 19 - HN GLU- 107 2.778% * 0.0559% (0.14 0.02 0.02) = 0.056% HG3 LYS+ 110 - HN GLU- 18 2.778% * 0.0545% (0.14 0.02 0.02) = 0.055% HG LEU 17 - HN GLU- 107 2.778% * 0.0533% (0.14 0.02 0.02) = 0.053% HG2 LYS+ 110 - HN GLU- 10 2.778% * 0.0522% (0.13 0.02 0.02) = 0.052% HG2 LYS+ 110 - HN GLU- 18 2.778% * 0.0481% (0.12 0.02 0.02) = 0.048% HD3 LYS+ 60 - HN GLU- 107 2.778% * 0.0479% (0.12 0.02 0.02) = 0.048% HD3 LYS+ 32 - HN GLU- 107 2.778% * 0.0262% (0.07 0.02 0.02) = 0.026% HB3 LEU 17 - HN GLU- 107 2.778% * 0.0194% (0.05 0.02 0.02) = 0.019% HB3 LEU 9 - HN GLU- 107 2.778% * 0.0194% (0.05 0.02 0.02) = 0.019% HB3 LEU 90 - HN GLU- 107 2.778% * 0.0194% (0.05 0.02 0.02) = 0.019% HG13 ILE 29 - HN GLU- 107 2.778% * 0.0138% (0.04 0.02 0.02) = 0.014% HG3 LYS+ 110 - HN GLU- 107 2.778% * 0.0122% (0.03 0.02 0.02) = 0.012% HG2 LYS+ 110 - HN GLU- 107 2.778% * 0.0108% (0.03 0.02 0.02) = 0.011% Peak 205 (1.34, 8.49, 124.44 ppm): 24 chemical-shift based assignments, quality = 0.698, support = 3.01, residual support = 8.79: HB2 LEU 17 - HN GLU- 18 4.167% * 54.0665% (0.77 4.47 14.21) = 54.066% kept QB ALA 11 - HN GLU- 10 4.167% * 19.2049% (0.87 1.41 3.01) = 19.205% kept HG13 ILE 19 - HN GLU- 18 4.167% * 11.8584% (0.39 1.94 3.53) = 11.858% kept HG LEU 74 - HN GLU- 18 4.167% * 7.3102% (0.49 0.96 1.47) = 7.310% kept HG3 LYS+ 20 - HN GLU- 18 4.167% * 3.5699% (0.61 0.37 0.02) = 3.570% kept HG LEU 74 - HN GLU- 10 4.167% * 1.7228% (0.53 0.21 0.02) = 1.723% kept HG LEU 74 - HN GLU- 107 4.167% * 0.6519% (0.11 0.38 0.02) = 0.652% HB2 LEU 17 - HN GLU- 10 4.167% * 0.2627% (0.84 0.02 0.02) = 0.263% QB ALA 11 - HN GLU- 18 4.167% * 0.2501% (0.80 0.02 0.02) = 0.250% HG3 LYS+ 20 - HN GLU- 10 4.167% * 0.2080% (0.67 0.02 0.02) = 0.208% HG13 ILE 19 - HN GLU- 10 4.167% * 0.1325% (0.42 0.02 0.02) = 0.133% HG3 ARG+ 22 - HN GLU- 10 4.167% * 0.1220% (0.39 0.02 0.02) = 0.122% HG3 ARG+ 22 - HN GLU- 18 4.167% * 0.1124% (0.36 0.02 0.02) = 0.112% QB ALA 91 - HN GLU- 10 4.167% * 0.0757% (0.24 0.02 0.02) = 0.076% QB ALA 103 - HN GLU- 10 4.167% * 0.0757% (0.24 0.02 0.02) = 0.076% QB ALA 103 - HN GLU- 18 4.167% * 0.0697% (0.22 0.02 0.49) = 0.070% QB ALA 91 - HN GLU- 18 4.167% * 0.0697% (0.22 0.02 0.02) = 0.070% QB ALA 11 - HN GLU- 107 4.167% * 0.0560% (0.18 0.02 0.02) = 0.056% HB2 LEU 17 - HN GLU- 107 4.167% * 0.0542% (0.17 0.02 0.02) = 0.054% HG3 LYS+ 20 - HN GLU- 107 4.167% * 0.0429% (0.14 0.02 0.02) = 0.043% HG13 ILE 19 - HN GLU- 107 4.167% * 0.0273% (0.09 0.02 0.02) = 0.027% HG3 ARG+ 22 - HN GLU- 107 4.167% * 0.0252% (0.08 0.02 0.02) = 0.025% QB ALA 103 - HN GLU- 107 4.167% * 0.0156% (0.05 0.02 0.02) = 0.016% QB ALA 91 - HN GLU- 107 4.167% * 0.0156% (0.05 0.02 0.02) = 0.016% Peak 206 (0.70, 8.49, 124.44 ppm): 36 chemical-shift based assignments, quality = 0.532, support = 1.41, residual support = 2.13: HG12 ILE 19 - HN GLU- 18 2.778% * 29.8583% (0.45 2.20 3.53) = 29.858% kept QD1 ILE 19 - HN GLU- 18 2.778% * 29.6311% (0.55 1.80 3.53) = 29.631% kept * HB2 LEU 9 - HN GLU- 10 2.778% * 18.4980% (0.87 0.71 0.11) = 18.498% kept QG2 ILE 48 - HN GLU- 18 2.778% * 7.0942% (0.61 0.39 0.02) = 7.094% kept QG2 VAL 94 - HN GLU- 18 2.778% * 4.7173% (0.49 0.32 0.02) = 4.717% kept QD2 LEU 9 - HN GLU- 10 2.778% * 4.0275% (0.13 1.00 0.11) = 4.028% kept HG2 PRO 59 - HN GLU- 10 2.778% * 0.5200% (0.87 0.02 0.02) = 0.520% HG LEU 67 - HN GLU- 10 2.778% * 0.5188% (0.87 0.02 0.02) = 0.519% HB2 LEU 9 - HN GLU- 18 2.778% * 0.4788% (0.80 0.02 0.02) = 0.479% HG2 PRO 59 - HN GLU- 18 2.778% * 0.4788% (0.80 0.02 0.02) = 0.479% HG LEU 67 - HN GLU- 18 2.778% * 0.4777% (0.80 0.02 0.02) = 0.478% QG2 ILE 101 - HN GLU- 10 2.778% * 0.4510% (0.76 0.02 0.02) = 0.451% QG2 ILE 101 - HN GLU- 18 2.778% * 0.4153% (0.70 0.02 0.02) = 0.415% QG2 ILE 48 - HN GLU- 10 2.778% * 0.3974% (0.67 0.02 0.02) = 0.397% QD1 ILE 19 - HN GLU- 10 2.778% * 0.3572% (0.60 0.02 0.02) = 0.357% QG2 VAL 94 - HN GLU- 10 2.778% * 0.3154% (0.53 0.02 0.02) = 0.315% HG12 ILE 19 - HN GLU- 10 2.778% * 0.2944% (0.49 0.02 0.02) = 0.294% QG2 VAL 40 - HN GLU- 10 2.778% * 0.1605% (0.27 0.02 0.02) = 0.160% QG2 VAL 40 - HN GLU- 18 2.778% * 0.1478% (0.25 0.02 0.02) = 0.148% HB2 LEU 9 - HN GLU- 107 2.778% * 0.1073% (0.18 0.02 0.02) = 0.107% HG2 PRO 59 - HN GLU- 107 2.778% * 0.1073% (0.18 0.02 0.02) = 0.107% HG LEU 67 - HN GLU- 107 2.778% * 0.1070% (0.18 0.02 0.02) = 0.107% QG2 ILE 101 - HN GLU- 107 2.778% * 0.0930% (0.16 0.02 0.02) = 0.093% QG2 ILE 48 - HN GLU- 107 2.778% * 0.0820% (0.14 0.02 0.02) = 0.082% QG1 VAL 62 - HN GLU- 10 2.778% * 0.0802% (0.13 0.02 0.02) = 0.080% QD1 ILE 68 - HN GLU- 10 2.778% * 0.0802% (0.13 0.02 0.02) = 0.080% QG1 VAL 62 - HN GLU- 18 2.778% * 0.0739% (0.12 0.02 0.02) = 0.074% QD2 LEU 9 - HN GLU- 18 2.778% * 0.0739% (0.12 0.02 0.02) = 0.074% QD1 ILE 68 - HN GLU- 18 2.778% * 0.0739% (0.12 0.02 0.02) = 0.074% QD1 ILE 19 - HN GLU- 107 2.778% * 0.0737% (0.12 0.02 0.02) = 0.074% QG2 VAL 94 - HN GLU- 107 2.778% * 0.0651% (0.11 0.02 0.02) = 0.065% HG12 ILE 19 - HN GLU- 107 2.778% * 0.0607% (0.10 0.02 0.02) = 0.061% QG2 VAL 40 - HN GLU- 107 2.778% * 0.0331% (0.06 0.02 0.02) = 0.033% QG1 VAL 62 - HN GLU- 107 2.778% * 0.0165% (0.03 0.02 0.02) = 0.017% QD2 LEU 9 - HN GLU- 107 2.778% * 0.0165% (0.03 0.02 0.02) = 0.017% QD1 ILE 68 - HN GLU- 107 2.778% * 0.0165% (0.03 0.02 0.02) = 0.017% Peak 207 (4.69, 8.97, 124.53 ppm): 16 chemical-shift based assignments, quality = 0.98, support = 3.13, residual support = 12.3: * O HA GLN 16 - HN LEU 17 6.250% * 97.5565% (1.00 10.0 3.19 12.53) = 97.556% kept HA ASN 89 - HN LEU 17 6.250% * 1.7022% (0.36 1.0 0.98 2.91) = 1.702% kept HA ASN 89 - HN THR 96 6.250% * 0.3921% (0.04 1.0 1.91 0.36) = 0.392% HA THR 61 - HN LEU 17 6.250% * 0.0973% (1.00 1.0 0.02 0.02) = 0.097% HA ASN 119 - HN LEU 17 6.250% * 0.0941% (0.96 1.0 0.02 0.02) = 0.094% HA TYR 83 - HN LEU 17 6.250% * 0.0592% (0.61 1.0 0.02 0.02) = 0.059% HA2 GLY 30 - HN LEU 17 6.250% * 0.0193% (0.20 1.0 0.02 0.02) = 0.019% HA ASP- 36 - HN LEU 17 6.250% * 0.0171% (0.17 1.0 0.02 0.02) = 0.017% HA LYS+ 120 - HN LEU 17 6.250% * 0.0151% (0.15 1.0 0.02 0.02) = 0.015% HA GLN 16 - HN THR 96 6.250% * 0.0115% (0.12 1.0 0.02 0.02) = 0.011% HA THR 61 - HN THR 96 6.250% * 0.0115% (0.12 1.0 0.02 0.02) = 0.011% HA ASN 119 - HN THR 96 6.250% * 0.0111% (0.11 1.0 0.02 0.02) = 0.011% HA TYR 83 - HN THR 96 6.250% * 0.0070% (0.07 1.0 0.02 0.02) = 0.007% HA2 GLY 30 - HN THR 96 6.250% * 0.0023% (0.02 1.0 0.02 0.02) = 0.002% HA ASP- 36 - HN THR 96 6.250% * 0.0020% (0.02 1.0 0.02 0.02) = 0.002% HA LYS+ 120 - HN THR 96 6.250% * 0.0018% (0.02 1.0 0.02 0.02) = 0.002% Peak 208 (1.72, 8.97, 124.53 ppm): 6 chemical-shift based assignments, quality = 0.93, support = 2.79, residual support = 9.74: * HB2 GLN 16 - HN LEU 17 16.667% * 77.3726% (1.00 3.37 12.53) = 77.373% kept HB3 GLU- 50 - HN LEU 17 16.667% * 12.8336% (0.53 1.06 0.32) = 12.834% kept HB ILE 48 - HN LEU 17 16.667% * 9.4901% (0.94 0.44 0.02) = 9.490% kept HB2 GLN 16 - HN THR 96 16.667% * 0.2240% (0.12 0.08 0.02) = 0.224% HB ILE 48 - HN THR 96 16.667% * 0.0512% (0.11 0.02 0.02) = 0.051% HB3 GLU- 50 - HN THR 96 16.667% * 0.0285% (0.06 0.02 0.02) = 0.028% Peak 209 (8.96, 8.97, 124.53 ppm): 2 diagonal assignments: * HN LEU 17 - HN LEU 17 (0.94) kept HN THR 96 - HN THR 96 (0.06) kept Peak 210 (4.55, 8.97, 124.53 ppm): 14 chemical-shift based assignments, quality = 0.969, support = 4.19, residual support = 49.7: * O HA LEU 17 - HN LEU 17 7.143% * 95.7101% (1.00 10.0 4.35 51.85) = 95.710% kept HA ASN 89 - HN LEU 17 7.143% * 2.5119% (0.54 1.0 0.98 2.91) = 2.512% kept HA VAL 73 - HN LEU 17 7.143% * 0.7979% (0.20 1.0 0.81 0.32) = 0.798% HA ASN 89 - HN THR 96 7.143% * 0.5786% (0.06 1.0 1.91 0.36) = 0.579% HA VAL 73 - HN THR 96 7.143% * 0.1097% (0.02 1.0 0.95 0.34) = 0.110% HA THR 79 - HN LEU 17 7.143% * 0.0955% (1.00 1.0 0.02 0.02) = 0.095% HA GLU- 10 - HN LEU 17 7.143% * 0.0830% (0.87 1.0 0.02 0.02) = 0.083% HA LYS+ 78 - HN LEU 17 7.143% * 0.0429% (0.45 1.0 0.02 0.02) = 0.043% HA LYS+ 72 - HN LEU 17 7.143% * 0.0295% (0.31 1.0 0.02 0.02) = 0.030% HA LEU 17 - HN THR 96 7.143% * 0.0113% (0.12 1.0 0.02 0.02) = 0.011% HA THR 79 - HN THR 96 7.143% * 0.0113% (0.12 1.0 0.02 0.02) = 0.011% HA GLU- 10 - HN THR 96 7.143% * 0.0098% (0.10 1.0 0.02 0.02) = 0.010% HA LYS+ 78 - HN THR 96 7.143% * 0.0051% (0.05 1.0 0.02 0.02) = 0.005% HA LYS+ 72 - HN THR 96 7.143% * 0.0035% (0.04 1.0 0.02 0.02) = 0.003% Peak 211 (1.89, 8.97, 124.53 ppm): 20 chemical-shift based assignments, quality = 0.943, support = 2.99, residual support = 12.6: * HB3 GLN 16 - HN LEU 17 5.000% * 53.4248% (1.00 3.41 12.53) = 53.425% kept HG2 GLU- 18 - HN LEU 17 5.000% * 41.4278% (0.98 2.69 14.21) = 41.428% kept HG2 GLU- 18 - HN THR 96 5.000% * 3.1462% (0.12 1.74 0.49) = 3.146% kept HB2 GLU- 10 - HN LEU 17 5.000% * 0.3028% (0.96 0.02 0.02) = 0.303% HB3 CYS 123 - HN LEU 17 5.000% * 0.2621% (0.83 0.02 0.02) = 0.262% HG3 LYS+ 120 - HN LEU 17 5.000% * 0.2621% (0.83 0.02 0.02) = 0.262% HB3 ARG+ 84 - HN LEU 17 5.000% * 0.2512% (0.80 0.02 0.13) = 0.251% HB2 GLU- 10 - HN THR 96 5.000% * 0.1932% (0.11 0.11 0.02) = 0.193% HB3 MET 118 - HN LEU 17 5.000% * 0.1903% (0.61 0.02 0.02) = 0.190% HB3 GLU- 54 - HN LEU 17 5.000% * 0.1407% (0.45 0.02 0.02) = 0.141% HB3 GLN 102 - HN LEU 17 5.000% * 0.1290% (0.41 0.02 0.02) = 0.129% HD3 LYS+ 63 - HN LEU 17 5.000% * 0.0782% (0.25 0.02 0.02) = 0.078% HB3 GLN 16 - HN THR 96 5.000% * 0.0370% (0.12 0.02 0.02) = 0.037% HB3 CYS 123 - HN THR 96 5.000% * 0.0309% (0.10 0.02 0.02) = 0.031% HG3 LYS+ 120 - HN THR 96 5.000% * 0.0309% (0.10 0.02 0.02) = 0.031% HB3 ARG+ 84 - HN THR 96 5.000% * 0.0296% (0.09 0.02 0.02) = 0.030% HB3 MET 118 - HN THR 96 5.000% * 0.0224% (0.07 0.02 0.02) = 0.022% HB3 GLU- 54 - HN THR 96 5.000% * 0.0166% (0.05 0.02 0.02) = 0.017% HB3 GLN 102 - HN THR 96 5.000% * 0.0152% (0.05 0.02 0.02) = 0.015% HD3 LYS+ 63 - HN THR 96 5.000% * 0.0092% (0.03 0.02 0.02) = 0.009% Peak 212 (1.34, 8.97, 124.53 ppm): 16 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 47.4: * O HB2 LEU 17 - HN LEU 17 6.250% * 91.2121% (1.00 10.0 5.23 51.85) = 91.212% kept HG LEU 74 - HN LEU 17 6.250% * 3.7399% (0.59 1.0 1.38 1.52) = 3.740% kept HG13 ILE 19 - HN LEU 17 6.250% * 3.4175% (0.65 1.0 1.16 0.67) = 3.417% kept HG3 LYS+ 20 - HN LEU 17 6.250% * 1.0373% (0.90 1.0 0.25 0.02) = 1.037% kept HG LEU 74 - HN THR 96 6.250% * 0.3479% (0.07 1.0 1.09 0.43) = 0.348% QB ALA 11 - HN LEU 17 6.250% * 0.0863% (0.94 1.0 0.02 0.02) = 0.086% HG3 ARG+ 22 - HN LEU 17 6.250% * 0.0553% (0.61 1.0 0.02 0.02) = 0.055% QB ALA 91 - HN LEU 17 6.250% * 0.0375% (0.41 1.0 0.02 0.11) = 0.037% QB ALA 103 - HN LEU 17 6.250% * 0.0160% (0.17 1.0 0.02 0.02) = 0.016% HB2 LEU 17 - HN THR 96 6.250% * 0.0107% (0.12 1.0 0.02 0.02) = 0.011% QB ALA 11 - HN THR 96 6.250% * 0.0102% (0.11 1.0 0.02 0.02) = 0.010% HG3 LYS+ 20 - HN THR 96 6.250% * 0.0096% (0.11 1.0 0.02 0.02) = 0.010% HG13 ILE 19 - HN THR 96 6.250% * 0.0070% (0.08 1.0 0.02 4.44) = 0.007% HG3 ARG+ 22 - HN THR 96 6.250% * 0.0065% (0.07 1.0 0.02 0.02) = 0.007% QB ALA 91 - HN THR 96 6.250% * 0.0044% (0.05 1.0 0.02 0.02) = 0.004% QB ALA 103 - HN THR 96 6.250% * 0.0019% (0.02 1.0 0.02 0.02) = 0.002% Peak 213 (0.90, 8.97, 124.53 ppm): 28 chemical-shift based assignments, quality = 0.547, support = 0.815, residual support = 0.718: HG LEU 74 - HN LEU 17 3.571% * 44.5374% (0.55 1.38 1.52) = 44.537% kept QG1 VAL 47 - HN LEU 17 3.571% * 16.6591% (0.98 0.29 0.02) = 16.659% kept QG2 VAL 47 - HN LEU 17 3.571% * 11.4299% (0.57 0.35 0.02) = 11.430% kept HG LEU 74 - HN THR 96 3.571% * 4.1424% (0.07 1.09 0.43) = 4.142% kept QG2 VAL 87 - HN THR 96 3.571% * 3.9756% (0.11 0.63 0.02) = 3.976% kept QD1 LEU 67 - HN THR 96 3.571% * 3.8768% (0.11 0.60 0.02) = 3.877% kept QG2 VAL 73 - HN LEU 17 3.571% * 2.7244% (0.34 0.14 0.32) = 2.724% kept QG2 VAL 105 - HN THR 96 3.571% * 1.8564% (0.12 0.27 0.02) = 1.856% kept QG2 VAL 73 - HN THR 96 3.571% * 1.3623% (0.04 0.58 0.34) = 1.362% kept QG2 VAL 105 - HN LEU 17 3.571% * 1.1548% (0.99 0.02 0.02) = 1.155% kept QD1 LEU 67 - HN LEU 17 3.571% * 1.1022% (0.94 0.02 0.02) = 1.102% kept QG2 VAL 87 - HN LEU 17 3.571% * 1.0756% (0.92 0.02 0.02) = 1.076% kept HG13 ILE 68 - HN LEU 17 3.571% * 1.0449% (0.90 0.02 0.02) = 1.045% kept QG1 VAL 80 - HN LEU 17 3.571% * 1.0107% (0.87 0.02 0.02) = 1.011% kept QG1 VAL 122 - HN LEU 17 3.571% * 0.8461% (0.73 0.02 0.02) = 0.846% QG2 VAL 125 - HN LEU 17 3.571% * 0.6130% (0.53 0.02 0.02) = 0.613% QG1 VAL 40 - HN LEU 17 3.571% * 0.5671% (0.49 0.02 0.02) = 0.567% HG13 ILE 68 - HN THR 96 3.571% * 0.4642% (0.11 0.08 0.02) = 0.464% QG2 VAL 99 - HN LEU 17 3.571% * 0.3596% (0.31 0.02 0.02) = 0.360% QG2 VAL 125 - HN THR 96 3.571% * 0.3324% (0.06 0.09 0.02) = 0.332% QG2 VAL 122 - HN LEU 17 3.571% * 0.2905% (0.25 0.02 0.02) = 0.291% QG1 VAL 47 - HN THR 96 3.571% * 0.1346% (0.12 0.02 0.02) = 0.135% QG1 VAL 80 - HN THR 96 3.571% * 0.1191% (0.10 0.02 0.02) = 0.119% QG1 VAL 122 - HN THR 96 3.571% * 0.0997% (0.09 0.02 0.02) = 0.100% QG2 VAL 47 - HN THR 96 3.571% * 0.0777% (0.07 0.02 0.02) = 0.078% QG1 VAL 40 - HN THR 96 3.571% * 0.0668% (0.06 0.02 0.02) = 0.067% QG2 VAL 99 - HN THR 96 3.571% * 0.0424% (0.04 0.02 0.02) = 0.042% QG2 VAL 122 - HN THR 96 3.571% * 0.0342% (0.03 0.02 0.02) = 0.034% Peak 214 (1.60, 8.97, 124.53 ppm): 20 chemical-shift based assignments, quality = 0.983, support = 3.93, residual support = 49.4: * O HB3 LEU 17 - HN LEU 17 5.000% * 95.2799% (1.00 10.0 4.09 51.85) = 95.280% kept HB3 LYS+ 32 - HN LEU 17 5.000% * 2.4938% (0.57 1.0 0.92 0.10) = 2.494% kept HD3 LYS+ 32 - HN LEU 17 5.000% * 1.7448% (0.98 1.0 0.37 0.10) = 1.745% kept HG3 LYS+ 110 - HN LEU 17 5.000% * 0.0920% (0.96 1.0 0.02 0.02) = 0.092% HG2 LYS+ 110 - HN LEU 17 5.000% * 0.0901% (0.94 1.0 0.02 0.02) = 0.090% HG3 LYS+ 78 - HN LEU 17 5.000% * 0.0616% (0.65 1.0 0.02 0.02) = 0.062% HB2 LEU 67 - HN THR 96 5.000% * 0.0457% (0.04 1.0 0.24 0.02) = 0.046% HG12 ILE 101 - HN LEU 17 5.000% * 0.0325% (0.34 1.0 0.02 0.02) = 0.033% HB2 LEU 67 - HN LEU 17 5.000% * 0.0325% (0.34 1.0 0.02 0.02) = 0.033% HB ILE 100 - HN LEU 17 5.000% * 0.0325% (0.34 1.0 0.02 0.02) = 0.033% HG LEU 23 - HN LEU 17 5.000% * 0.0265% (0.28 1.0 0.02 0.02) = 0.026% HB3 LEU 17 - HN THR 96 5.000% * 0.0112% (0.12 1.0 0.02 0.02) = 0.011% HD3 LYS+ 32 - HN THR 96 5.000% * 0.0110% (0.12 1.0 0.02 0.02) = 0.011% HG3 LYS+ 110 - HN THR 96 5.000% * 0.0108% (0.11 1.0 0.02 0.02) = 0.011% HG2 LYS+ 110 - HN THR 96 5.000% * 0.0106% (0.11 1.0 0.02 0.02) = 0.011% HG3 LYS+ 78 - HN THR 96 5.000% * 0.0073% (0.08 1.0 0.02 0.02) = 0.007% HB3 LYS+ 32 - HN THR 96 5.000% * 0.0064% (0.07 1.0 0.02 0.02) = 0.006% HB ILE 100 - HN THR 96 5.000% * 0.0038% (0.04 1.0 0.02 0.02) = 0.004% HG12 ILE 101 - HN THR 96 5.000% * 0.0038% (0.04 1.0 0.02 0.02) = 0.004% HG LEU 23 - HN THR 96 5.000% * 0.0031% (0.03 1.0 0.02 0.02) = 0.003% Peak 215 (0.93, 8.58, 124.50 ppm): 15 chemical-shift based assignments, quality = 0.73, support = 2.27, residual support = 10.0: * QG2 VAL 73 - HN VAL 73 6.667% * 59.7910% (0.83 3.09 12.59) = 59.791% kept HG LEU 74 - HN VAL 73 6.667% * 23.4215% (0.64 1.58 10.26) = 23.421% kept QG2 ILE 29 - HN VAL 73 6.667% * 4.1930% (0.52 0.34 0.02) = 4.193% kept HG12 ILE 29 - HN VAL 73 6.667% * 3.9868% (0.64 0.27 0.02) = 3.987% kept QG1 VAL 105 - HN VAL 73 6.667% * 3.4511% (0.92 0.16 1.61) = 3.451% kept QG2 VAL 105 - HN VAL 73 6.667% * 2.4484% (0.15 0.69 1.61) = 2.448% kept HG3 LYS+ 63 - HN VAL 73 6.667% * 0.9166% (0.41 0.10 0.02) = 0.917% QD1 LEU 17 - HN VAL 73 6.667% * 0.4378% (0.94 0.02 0.32) = 0.438% QG2 VAL 99 - HN VAL 73 6.667% * 0.4015% (0.86 0.02 0.02) = 0.401% QG2 VAL 62 - HN VAL 73 6.667% * 0.2807% (0.60 0.02 0.02) = 0.281% HG12 ILE 68 - HN VAL 73 6.667% * 0.2435% (0.52 0.02 0.58) = 0.244% HG13 ILE 68 - HN VAL 73 6.667% * 0.1287% (0.28 0.02 0.58) = 0.129% QG2 VAL 87 - HN VAL 73 6.667% * 0.1154% (0.25 0.02 0.02) = 0.115% QD1 LEU 67 - HN VAL 73 6.667% * 0.1030% (0.22 0.02 0.02) = 0.103% QG1 VAL 47 - HN VAL 73 6.667% * 0.0811% (0.17 0.02 0.02) = 0.081% Peak 216 (4.57, 8.58, 124.50 ppm): 6 chemical-shift based assignments, quality = 0.985, support = 2.39, residual support = 9.16: O HA LYS+ 72 - HN VAL 73 16.667% * 99.0006% (1.00 10.0 2.42 9.25) = 99.001% kept HA ASN 89 - HN VAL 73 16.667% * 0.8228% (0.50 1.0 0.33 0.02) = 0.823% HA LEU 9 - HN VAL 73 16.667% * 0.0640% (0.64 1.0 0.02 0.02) = 0.064% HA ASP- 25 - HN VAL 73 16.667% * 0.0482% (0.48 1.0 0.02 0.02) = 0.048% HA THR 79 - HN VAL 73 16.667% * 0.0338% (0.34 1.0 0.02 0.02) = 0.034% HA LEU 17 - HN VAL 73 16.667% * 0.0306% (0.31 1.0 0.02 0.32) = 0.031% Reference assignment not found: HA VAL 73 - HN VAL 73 Peak 217 (8.57, 8.58, 124.50 ppm): 1 diagonal assignment: * HN VAL 73 - HN VAL 73 (0.76) kept Peak 218 (1.95, 8.58, 124.50 ppm): 14 chemical-shift based assignments, quality = 0.817, support = 0.392, residual support = 0.737: HG3 PRO 31 - HN VAL 73 7.143% * 49.9441% (0.99 0.58 0.67) = 49.944% kept HB2 GLU- 75 - HN VAL 73 7.143% * 12.6813% (0.96 0.15 0.02) = 12.681% kept HB2 PRO 116 - HN VAL 73 7.143% * 12.4923% (0.72 0.20 0.02) = 12.492% kept HG3 PRO 104 - HN VAL 73 7.143% * 8.4934% (0.20 0.50 4.67) = 8.493% kept HB ILE 29 - HN VAL 73 7.143% * 7.0082% (0.45 0.18 0.02) = 7.008% kept HB3 LYS+ 55 - HN VAL 73 7.143% * 1.7248% (0.99 0.02 0.02) = 1.725% kept HG3 PRO 116 - HN VAL 73 7.143% * 1.3842% (0.80 0.02 0.02) = 1.384% kept HG2 PRO 112 - HN VAL 73 7.143% * 1.3842% (0.80 0.02 0.02) = 1.384% kept HB VAL 13 - HN VAL 73 7.143% * 1.3211% (0.76 0.02 0.02) = 1.321% kept HB VAL 122 - HN VAL 73 7.143% * 1.1874% (0.68 0.02 0.02) = 1.187% kept HB3 GLU- 109 - HN VAL 73 7.143% * 1.1183% (0.64 0.02 0.02) = 1.118% kept HB3 PRO 35 - HN VAL 73 7.143% * 0.5336% (0.31 0.02 0.02) = 0.534% HB2 LEU 23 - HN VAL 73 7.143% * 0.3849% (0.22 0.02 0.02) = 0.385% HB3 GLU- 56 - HN VAL 73 7.143% * 0.3421% (0.20 0.02 0.02) = 0.342% Peak 219 (1.82, 8.58, 124.50 ppm): 16 chemical-shift based assignments, quality = 0.954, support = 2.72, residual support = 12.1: * O HB VAL 73 - HN VAL 73 6.250% * 87.0191% (1.00 10.0 2.72 12.59) = 87.019% kept HD3 LYS+ 72 - HN VAL 73 6.250% * 9.6222% (0.86 1.0 2.55 9.25) = 9.622% kept HB3 LYS+ 72 - HN VAL 73 6.250% * 2.8585% (0.17 1.0 3.75 9.25) = 2.859% kept HD3 LYS+ 117 - HN VAL 73 6.250% * 0.0853% (0.98 1.0 0.02 0.02) = 0.085% HB2 PRO 59 - HN VAL 73 6.250% * 0.0727% (0.83 1.0 0.02 0.02) = 0.073% HB2 GLU- 109 - HN VAL 73 6.250% * 0.0665% (0.76 1.0 0.02 0.02) = 0.067% HG3 PRO 112 - HN VAL 73 6.250% * 0.0563% (0.64 1.0 0.02 0.02) = 0.056% HB3 PRO 59 - HN VAL 73 6.250% * 0.0563% (0.64 1.0 0.02 0.02) = 0.056% HB2 LYS+ 66 - HN VAL 73 6.250% * 0.0424% (0.48 1.0 0.02 0.02) = 0.042% HB3 LYS+ 44 - HN VAL 73 6.250% * 0.0269% (0.31 1.0 0.02 0.23) = 0.027% HB3 LYS+ 117 - HN VAL 73 6.250% * 0.0194% (0.22 1.0 0.02 0.02) = 0.019% HB3 LYS+ 108 - HN VAL 73 6.250% * 0.0172% (0.20 1.0 0.02 0.50) = 0.017% HB2 LYS+ 117 - HN VAL 73 6.250% * 0.0152% (0.17 1.0 0.02 0.02) = 0.015% HB3 LYS+ 113 - HN VAL 73 6.250% * 0.0152% (0.17 1.0 0.02 0.24) = 0.015% HB2 PRO 104 - HN VAL 73 6.250% * 0.0134% (0.15 1.0 0.02 4.67) = 0.013% HB3 HIS+ 7 - HN VAL 73 6.250% * 0.0134% (0.15 1.0 0.02 0.02) = 0.013% Peak 220 (4.17, 8.58, 124.50 ppm): 6 chemical-shift based assignments, quality = 0.23, support = 2.99, residual support = 11.0: O HA VAL 73 - HN VAL 73 16.667% * 87.4439% (0.16 10.0 3.38 12.59) = 87.444% kept HA ASN 89 - HN VAL 73 16.667% * 8.7456% (0.96 1.0 0.33 0.02) = 8.746% kept HA LYS+ 44 - HN VAL 73 16.667% * 1.8108% (0.34 1.0 0.19 0.23) = 1.811% kept HA ASP- 82 - HN VAL 73 16.667% * 1.3928% (0.20 1.0 0.25 0.02) = 1.393% kept HA MET 126 - HN VAL 73 16.667% * 0.3797% (0.68 1.0 0.02 0.02) = 0.380% HA GLU- 64 - HN VAL 73 16.667% * 0.2273% (0.41 1.0 0.02 0.02) = 0.227% Peak 221 (1.53, 8.58, 124.50 ppm): 10 chemical-shift based assignments, quality = 0.462, support = 2.5, residual support = 8.55: HG3 LYS+ 72 - HN VAL 73 10.000% * 42.5782% (0.52 2.56 9.25) = 42.578% kept * HB2 LYS+ 72 - HN VAL 73 10.000% * 40.5412% (0.41 3.12 9.25) = 40.541% kept HG LEU 74 - HN VAL 73 10.000% * 8.3238% (0.17 1.58 10.26) = 8.324% kept QG2 VAL 80 - HN VAL 73 10.000% * 6.5211% (0.92 0.22 0.12) = 6.521% kept HG LEU 9 - HN VAL 73 10.000% * 0.6300% (0.99 0.02 0.02) = 0.630% HG LEU 43 - HN VAL 73 10.000% * 0.5274% (0.83 0.02 0.02) = 0.527% HB3 LEU 23 - HN VAL 73 10.000% * 0.3830% (0.60 0.02 0.02) = 0.383% HD3 LYS+ 108 - HN VAL 73 10.000% * 0.1949% (0.31 0.02 0.50) = 0.195% QG2 THR 24 - HN VAL 73 10.000% * 0.1755% (0.28 0.02 0.02) = 0.176% HG13 ILE 29 - HN VAL 73 10.000% * 0.1250% (0.20 0.02 0.02) = 0.125% Peak 222 (4.72, 8.58, 124.50 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 0.957, residual support = 0.545: HA PRO 31 - HN VAL 73 25.000% * 79.6672% (0.98 1.14 0.67) = 79.667% kept HA2 GLY 30 - HN VAL 73 25.000% * 12.1410% (0.94 0.18 0.10) = 12.141% kept HA ASN 89 - HN VAL 73 25.000% * 7.4992% (0.32 0.33 0.02) = 7.499% kept HA HIS+ 7 - HN VAL 73 25.000% * 0.6926% (0.48 0.02 0.02) = 0.693% Peak 223 (5.99, 8.10, 124.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 9 chemical-shift based assignments, quality = 0.975, support = 2.66, residual support = 8.49: * O HA LYS+ 55 - HN GLU- 56 11.111% * 99.5727% (0.98 10.0 2.67 8.52) = 99.573% kept HB THR 46 - HN GLU- 56 11.111% * 0.0996% (0.98 1.0 0.02 0.02) = 0.100% HA SER 77 - HN GLU- 56 11.111% * 0.0698% (0.69 1.0 0.02 0.02) = 0.070% HA ASN 89 - HN GLU- 56 11.111% * 0.0598% (0.59 1.0 0.02 0.02) = 0.060% HA CYS 123 - HN GLU- 56 11.111% * 0.0575% (0.57 1.0 0.02 0.02) = 0.058% HA LYS+ 78 - HN GLU- 56 11.111% * 0.0494% (0.49 1.0 0.02 0.02) = 0.049% HA ASN 76 - HN GLU- 56 11.111% * 0.0381% (0.37 1.0 0.02 0.02) = 0.038% HA VAL 73 - HN GLU- 56 11.111% * 0.0374% (0.37 1.0 0.02 0.02) = 0.037% HA GLU- 10 - HN GLU- 56 11.111% * 0.0157% (0.15 1.0 0.02 0.02) = 0.016% Peak 227 (1.96, 8.74, 124.39 ppm): 11 chemical-shift based assignments, quality = 0.601, support = 3.06, residual support = 7.06: * HB3 LYS+ 55 - HN GLU- 56 9.091% * 82.8520% (0.65 3.62 8.52) = 82.852% kept HB2 GLU- 75 - HN GLU- 56 9.091% * 9.8950% (0.45 0.62 0.02) = 9.895% kept HG3 PRO 104 - HN GLU- 56 9.091% * 2.9919% (0.73 0.12 0.02) = 2.992% kept HB3 GLU- 109 - HN GLU- 56 9.091% * 0.7066% (1.00 0.02 0.02) = 0.707% HB VAL 122 - HN GLU- 56 9.091% * 0.7019% (0.99 0.02 0.02) = 0.702% HB VAL 13 - HN GLU- 56 9.091% * 0.6834% (0.96 0.02 0.02) = 0.683% HG3 PRO 116 - HN GLU- 56 9.091% * 0.6699% (0.94 0.02 0.02) = 0.670% HB2 PRO 116 - HN GLU- 56 9.091% * 0.6596% (0.20 0.09 0.02) = 0.660% HG3 PRO 31 - HN GLU- 56 9.091% * 0.4865% (0.69 0.02 0.02) = 0.486% HG2 PRO 112 - HN GLU- 56 9.091% * 0.1766% (0.25 0.02 0.02) = 0.177% HB2 LYS+ 108 - HN GLU- 56 9.091% * 0.1766% (0.25 0.02 0.02) = 0.177% Peak 228 (2.32, 8.74, 124.39 ppm): 8 chemical-shift based assignments, quality = 0.521, support = 0.632, residual support = 1.75: HG3 GLU- 64 - HN GLU- 56 12.500% * 42.5413% (0.49 0.82 0.95) = 42.541% kept HA1 GLY 58 - HN GLU- 56 12.500% * 38.3064% (0.56 0.65 3.52) = 38.306% kept HB2 PRO 86 - HN GLU- 56 12.500% * 7.8127% (0.20 0.37 0.02) = 7.813% kept HB3 PRO 86 - HN GLU- 56 12.500% * 7.4506% (0.83 0.08 0.02) = 7.451% kept HB2 TYR 83 - HN GLU- 56 12.500% * 1.9690% (0.92 0.02 0.02) = 1.969% kept HB2 HIS+ 3 - HN GLU- 56 12.500% * 1.0382% (0.49 0.02 0.02) = 1.038% kept HG3 GLU- 50 - HN GLU- 56 12.500% * 0.5930% (0.28 0.02 0.02) = 0.593% HB2 CYS 121 - HN GLU- 56 12.500% * 0.2887% (0.14 0.02 0.02) = 0.289% Peak 229 (2.11, 8.74, 124.39 ppm): 12 chemical-shift based assignments, quality = 0.907, support = 1.6, residual support = 3.55: * HG3 GLU- 56 - HN GLU- 56 8.333% * 74.4659% (1.00 2.05 4.54) = 74.466% kept HB3 GLU- 75 - HN GLU- 56 8.333% * 8.4435% (0.96 0.24 0.02) = 8.444% kept HB VAL 87 - HN GLU- 56 8.333% * 6.5975% (0.69 0.26 0.02) = 6.597% kept HA1 GLY 58 - HN GLU- 56 8.333% * 4.6765% (0.20 0.65 3.52) = 4.676% kept HB VAL 65 - HN GLU- 56 8.333% * 3.7544% (0.73 0.14 0.02) = 3.754% kept HB3 LEU 43 - HN GLU- 56 8.333% * 0.7243% (1.00 0.02 0.02) = 0.724% HB VAL 125 - HN GLU- 56 8.333% * 0.2984% (0.41 0.02 0.02) = 0.298% HB2 LEU 43 - HN GLU- 56 8.333% * 0.2724% (0.37 0.02 0.02) = 0.272% HB2 LYS+ 110 - HN GLU- 56 8.333% * 0.2240% (0.31 0.02 0.02) = 0.224% HB VAL 47 - HN GLU- 56 8.333% * 0.1810% (0.25 0.02 0.02) = 0.181% HD3 LYS+ 110 - HN GLU- 56 8.333% * 0.1810% (0.25 0.02 0.02) = 0.181% HB2 ASP- 28 - HN GLU- 56 8.333% * 0.1810% (0.25 0.02 0.02) = 0.181% Peak 230 (4.25, 8.74, 124.39 ppm): 18 chemical-shift based assignments, quality = 0.956, support = 2.02, residual support = 4.22: * O HA GLU- 56 - HN GLU- 56 5.556% * 92.8775% (0.99 10.0 2.11 4.54) = 92.878% kept HA GLU- 54 - HN GLU- 56 5.556% * 3.0903% (0.37 1.0 1.76 0.02) = 3.090% kept HA PRO 59 - HN GLU- 56 5.556% * 1.4825% (0.83 1.0 0.38 0.02) = 1.483% kept HA GLU- 75 - HN GLU- 56 5.556% * 1.4806% (0.87 1.0 0.36 0.02) = 1.481% kept HA VAL 65 - HN GLU- 56 5.556% * 0.3512% (0.53 1.0 0.14 0.02) = 0.351% HA2 GLY 114 - HN GLU- 56 5.556% * 0.0935% (1.00 1.0 0.02 0.02) = 0.093% HA HIS+ 4 - HN GLU- 56 5.556% * 0.0904% (0.96 1.0 0.02 0.02) = 0.090% HA ASN 89 - HN GLU- 56 5.556% * 0.0847% (0.90 1.0 0.02 0.02) = 0.085% HA LYS+ 108 - HN GLU- 56 5.556% * 0.0813% (0.87 1.0 0.02 0.02) = 0.081% HA ARG+ 84 - HN GLU- 56 5.556% * 0.0531% (0.57 1.0 0.02 0.02) = 0.053% HA VAL 73 - HN GLU- 56 5.556% * 0.0498% (0.53 1.0 0.02 0.02) = 0.050% HA HIS+ 8 - HN GLU- 56 5.556% * 0.0456% (0.49 1.0 0.02 0.02) = 0.046% HA SER 85 - HN GLU- 56 5.556% * 0.0420% (0.45 1.0 0.02 0.02) = 0.042% HA PRO 52 - HN GLU- 56 5.556% * 0.0420% (0.45 1.0 0.02 0.02) = 0.042% HD3 PRO 59 - HN GLU- 56 5.556% * 0.0420% (0.45 1.0 0.02 0.02) = 0.042% HA ALA 91 - HN GLU- 56 5.556% * 0.0385% (0.41 1.0 0.02 0.02) = 0.039% HA SER 49 - HN GLU- 56 5.556% * 0.0289% (0.31 1.0 0.02 0.60) = 0.029% HA GLU- 18 - HN GLU- 56 5.556% * 0.0261% (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 = 0.792, support = 2.29, residual support = 5.66: * HN LYS+ 55 - HN GLU- 56 20.000% * 66.3928% (0.99 1.00 3.27 8.52) = 66.393% kept T HN LYS+ 63 - HN GLU- 56 20.000% * 30.2509% (0.41 10.00 0.36 0.02) = 30.251% kept HN VAL 87 - HN GLU- 56 20.000% * 2.8487% (0.37 1.00 0.37 0.02) = 2.849% kept HN ALA 93 - HN GLU- 56 20.000% * 0.3678% (0.90 1.00 0.02 0.02) = 0.368% HN THR 46 - HN GLU- 56 20.000% * 0.1399% (0.34 1.00 0.02 0.02) = 0.140% Peak 232 (1.31, 8.74, 124.39 ppm): 5 chemical-shift based assignments, quality = 0.729, support = 2.23, residual support = 5.93: * HB2 LYS+ 55 - HN GLU- 56 20.000% * 69.0132% (0.73 2.91 8.52) = 69.013% kept QB ALA 103 - HN GLU- 56 20.000% * 23.6134% (0.83 0.86 0.21) = 23.613% kept HB3 LEU 74 - HN GLU- 56 20.000% * 4.8471% (0.37 0.40 0.02) = 4.847% kept HG LEU 74 - HN GLU- 56 20.000% * 1.9227% (0.70 0.08 0.02) = 1.923% kept QG2 THR 46 - HN GLU- 56 20.000% * 0.6035% (0.92 0.02 0.02) = 0.603% Peak 233 (1.54, 7.73, 124.20 ppm): 13 chemical-shift based assignments, quality = 0.552, support = 0.649, residual support = 0.696: HB3 LEU 90 - HN ALA 42 7.692% * 43.9207% (0.76 0.84 0.13) = 43.921% kept HB3 LEU 9 - HN ALA 42 7.692% * 12.6236% (0.76 0.24 0.02) = 12.624% kept HD3 LYS+ 60 - HN ALA 42 7.692% * 11.5494% (0.34 0.50 0.02) = 11.549% kept HG LEU 43 - HN ALA 42 7.692% * 9.5172% (0.17 0.80 6.64) = 9.517% kept HG3 LYS+ 60 - HN ALA 42 7.692% * 8.2893% (0.22 0.55 0.02) = 8.289% kept HG LEU 74 - HN ALA 42 7.692% * 8.0991% (0.14 0.85 0.02) = 8.099% kept HB3 LEU 23 - HN ALA 42 7.692% * 1.3150% (0.96 0.02 0.02) = 1.315% kept QG2 THR 24 - HN ALA 42 7.692% * 1.2890% (0.94 0.02 0.02) = 1.289% kept HG13 ILE 29 - HN ALA 42 7.692% * 1.1820% (0.87 0.02 0.02) = 1.182% kept QG2 VAL 80 - HN ALA 42 7.692% * 0.9360% (0.69 0.02 0.02) = 0.936% HG LEU 9 - HN ALA 42 7.692% * 0.5602% (0.41 0.02 0.02) = 0.560% HG LEU 17 - HN ALA 42 7.692% * 0.3789% (0.28 0.02 0.02) = 0.379% HB ILE 19 - HN ALA 42 7.692% * 0.3398% (0.25 0.02 0.02) = 0.340% 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): 9 chemical-shift based assignments, quality = 0.88, support = 1.5, residual support = 2.64: * HB3 SER 41 - HN ALA 42 11.111% * 49.9072% (1.00 1.60 4.76) = 49.907% kept HA ASN 89 - HN ALA 42 11.111% * 42.4511% (0.85 1.59 0.62) = 42.451% kept HA LYS+ 44 - HN ALA 42 11.111% * 4.9923% (0.39 0.41 0.02) = 4.992% kept HA GLU- 45 - HN ALA 42 11.111% * 0.6222% (1.00 0.02 0.02) = 0.622% HD3 PRO 112 - HN ALA 42 11.111% * 0.5899% (0.94 0.02 0.02) = 0.590% HD3 PRO 116 - HN ALA 42 11.111% * 0.4528% (0.73 0.02 0.02) = 0.453% HA ILE 48 - HN ALA 42 11.111% * 0.4222% (0.68 0.02 0.02) = 0.422% HA2 GLY 92 - HN ALA 42 11.111% * 0.3281% (0.53 0.02 0.02) = 0.328% HA VAL 13 - HN ALA 42 11.111% * 0.2340% (0.37 0.02 0.02) = 0.234% Peak 236 (4.22, 7.73, 124.20 ppm): 19 chemical-shift based assignments, quality = 0.982, support = 2.76, residual support = 3.69: * O HA ALA 42 - HN ALA 42 5.263% * 91.9150% (1.00 10.0 2.88 3.97) = 91.915% kept HA ASN 89 - HN ALA 42 5.263% * 6.8274% (0.93 1.0 1.59 0.62) = 6.827% kept HA LYS+ 44 - HN ALA 42 5.263% * 0.3481% (0.18 1.0 0.41 0.02) = 0.348% HA LYS+ 110 - HN ALA 42 5.263% * 0.0917% (1.00 1.0 0.02 0.02) = 0.092% HB3 SER 49 - HN ALA 42 5.263% * 0.0911% (0.99 1.0 0.02 0.02) = 0.091% HA GLU- 12 - HN ALA 42 5.263% * 0.0901% (0.98 1.0 0.02 0.02) = 0.090% HA ALA 11 - HN ALA 42 5.263% * 0.0797% (0.87 1.0 0.02 0.02) = 0.080% HA GLU- 18 - HN ALA 42 5.263% * 0.0768% (0.83 1.0 0.02 0.02) = 0.077% HA SER 49 - HN ALA 42 5.263% * 0.0736% (0.80 1.0 0.02 0.02) = 0.074% HB3 HIS+ 14 - HN ALA 42 5.263% * 0.0702% (0.76 1.0 0.02 0.02) = 0.070% HA GLU- 54 - HN ALA 42 5.263% * 0.0667% (0.73 1.0 0.02 0.02) = 0.067% HA GLU- 109 - HN ALA 42 5.263% * 0.0631% (0.69 1.0 0.02 0.02) = 0.063% HA HIS+ 8 - HN ALA 42 5.263% * 0.0557% (0.61 1.0 0.02 0.02) = 0.056% HA ASP- 82 - HN ALA 42 5.263% * 0.0378% (0.41 1.0 0.02 0.02) = 0.038% HA VAL 73 - HN ALA 42 5.263% * 0.0320% (0.35 1.0 0.02 0.02) = 0.032% HA PRO 59 - HN ALA 42 5.263% * 0.0256% (0.28 1.0 0.02 0.02) = 0.026% HA LYS+ 108 - HN ALA 42 5.263% * 0.0229% (0.25 1.0 0.02 0.02) = 0.023% HA GLU- 64 - HN ALA 42 5.263% * 0.0182% (0.20 1.0 0.02 0.02) = 0.018% HA HIS+ 4 - HN ALA 42 5.263% * 0.0142% (0.15 1.0 0.02 0.02) = 0.014% Peak 237 (8.16, 7.73, 124.20 ppm): 5 chemical-shift based assignments, quality = 0.994, support = 1.67, residual support = 4.75: * T HN SER 41 - HN ALA 42 20.000% * 99.7910% (1.00 10.00 1.67 4.76) = 99.791% kept HN SER 77 - HN ALA 42 20.000% * 0.0774% (0.65 1.00 0.02 0.02) = 0.077% HN LYS+ 120 - HN ALA 42 20.000% * 0.0774% (0.65 1.00 0.02 0.02) = 0.077% HN ASN 119 - HN ALA 42 20.000% * 0.0333% (0.28 1.00 0.02 0.02) = 0.033% HN ALA 33 - HN ALA 42 20.000% * 0.0209% (0.17 1.00 0.02 0.02) = 0.021% Peak 238 (1.38, 7.73, 124.20 ppm): 12 chemical-shift based assignments, quality = 0.444, support = 2.17, residual support = 3.0: * O QB ALA 42 - HN ALA 42 8.333% * 63.7547% (0.28 10.0 2.27 3.97) = 63.755% kept QG2 THR 39 - HN ALA 42 8.333% * 24.6391% (0.94 1.0 2.27 1.48) = 24.639% kept QG2 THR 38 - HN ALA 42 8.333% * 5.7500% (0.22 1.0 2.25 1.84) = 5.750% kept HG LEU 74 - HN ALA 42 8.333% * 4.6022% (0.47 1.0 0.85 0.02) = 4.602% kept QB ALA 91 - HN ALA 42 8.333% * 0.3586% (0.34 1.0 0.09 0.02) = 0.359% HB2 LYS+ 20 - HN ALA 42 8.333% * 0.2248% (0.98 1.0 0.02 0.02) = 0.225% HG2 LYS+ 78 - HN ALA 42 8.333% * 0.1836% (0.80 1.0 0.02 0.02) = 0.184% HB3 LYS+ 20 - HN ALA 42 8.333% * 0.1752% (0.76 1.0 0.02 0.02) = 0.175% HD3 LYS+ 20 - HN ALA 42 8.333% * 0.1752% (0.76 1.0 0.02 0.02) = 0.175% QB ALA 37 - HN ALA 42 8.333% * 0.0511% (0.22 1.0 0.02 0.02) = 0.051% HG3 ARG+ 22 - HN ALA 42 8.333% * 0.0454% (0.20 1.0 0.02 0.02) = 0.045% HG13 ILE 19 - HN ALA 42 8.333% * 0.0402% (0.17 1.0 0.02 0.02) = 0.040% Peak 239 (7.98, 7.73, 124.20 ppm): 3 chemical-shift based assignments, quality = 0.895, support = 3.18, residual support = 6.63: * T HN LEU 43 - HN ALA 42 33.333% * 99.9310% (0.90 10.00 3.18 6.64) = 99.931% kept HN LYS+ 72 - HN ALA 42 33.333% * 0.0380% (0.34 1.00 0.02 0.02) = 0.038% HN MET 126 - HN ALA 42 33.333% * 0.0310% (0.28 1.00 0.02 0.02) = 0.031% Peak 240 (8.58, 7.73, 124.20 ppm): 4 chemical-shift based assignments, quality = 0.983, support = 0.702, residual support = 1.47: T HN THR 39 - HN ALA 42 25.000% * 99.3017% (0.99 10.00 0.71 1.48) = 99.302% kept HN VAL 80 - HN ALA 42 25.000% * 0.2827% (1.00 1.00 0.02 0.02) = 0.283% HN VAL 73 - HN ALA 42 25.000% * 0.2777% (0.98 1.00 0.02 0.02) = 0.278% HN LYS+ 20 - HN ALA 42 25.000% * 0.1379% (0.49 1.00 0.02 0.02) = 0.138% 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): 42 chemical-shift based assignments, quality = 0.872, support = 1.56, residual support = 3.36: * O HA THR 106 - HN GLU- 107 2.381% * 88.1321% (0.94 10.0 1.65 3.72) = 88.132% kept HA ASN 89 - HN GLU- 18 2.381% * 3.5581% (0.33 1.0 1.93 2.30) = 3.558% kept HA VAL 73 - HN GLU- 107 2.381% * 2.8528% (0.75 1.0 0.67 0.02) = 2.853% kept HA LEU 90 - HN GLU- 18 2.381% * 1.6544% (0.37 1.0 0.78 0.02) = 1.654% kept HA VAL 73 - HN GLU- 18 2.381% * 1.2714% (0.28 1.0 0.80 0.02) = 1.271% kept HA ASN 89 - HN GLU- 107 2.381% * 0.8523% (0.86 1.0 0.17 0.02) = 0.852% HA ASN 89 - HN GLU- 10 2.381% * 0.4796% (0.40 1.0 0.21 0.02) = 0.480% HA LEU 90 - HN GLU- 107 2.381% * 0.1127% (0.99 1.0 0.02 0.02) = 0.113% HA PRO 104 - HN GLU- 107 2.381% * 0.0863% (0.76 1.0 0.02 0.02) = 0.086% HA ALA 91 - HN GLU- 107 2.381% * 0.0594% (0.52 1.0 0.02 0.02) = 0.059% HA SER 85 - HN GLU- 107 2.381% * 0.0550% (0.48 1.0 0.02 0.02) = 0.055% HD3 PRO 59 - HN GLU- 107 2.381% * 0.0550% (0.48 1.0 0.02 0.02) = 0.055% HA PRO 52 - HN GLU- 107 2.381% * 0.0550% (0.48 1.0 0.02 0.02) = 0.055% HA LEU 90 - HN GLU- 10 2.381% * 0.0520% (0.46 1.0 0.02 0.02) = 0.052% HA ILE 29 - HN GLU- 107 2.381% * 0.0507% (0.45 1.0 0.02 0.02) = 0.051% HA THR 106 - HN GLU- 10 2.381% * 0.0493% (0.43 1.0 0.02 0.02) = 0.049% HA VAL 65 - HN GLU- 107 2.381% * 0.0464% (0.41 1.0 0.02 0.02) = 0.046% HA ARG+ 84 - HN GLU- 107 2.381% * 0.0424% (0.37 1.0 0.02 0.02) = 0.042% HA THR 106 - HN GLU- 18 2.381% * 0.0403% (0.35 1.0 0.02 0.02) = 0.040% HA PRO 104 - HN GLU- 10 2.381% * 0.0398% (0.35 1.0 0.02 0.02) = 0.040% HA VAL 73 - HN GLU- 10 2.381% * 0.0391% (0.34 1.0 0.02 0.02) = 0.039% HA PRO 104 - HN GLU- 18 2.381% * 0.0325% (0.29 1.0 0.02 0.02) = 0.033% HA ALA 91 - HN GLU- 10 2.381% * 0.0274% (0.24 1.0 0.02 0.02) = 0.027% HA PRO 52 - HN GLU- 10 2.381% * 0.0254% (0.22 1.0 0.02 0.02) = 0.025% HD3 PRO 59 - HN GLU- 10 2.381% * 0.0254% (0.22 1.0 0.02 0.02) = 0.025% HA SER 85 - HN GLU- 10 2.381% * 0.0254% (0.22 1.0 0.02 0.02) = 0.025% HA PRO 112 - HN GLU- 107 2.381% * 0.0252% (0.22 1.0 0.02 0.02) = 0.025% HA ILE 29 - HN GLU- 10 2.381% * 0.0234% (0.21 1.0 0.02 0.02) = 0.023% HA ALA 91 - HN GLU- 18 2.381% * 0.0224% (0.20 1.0 0.02 0.02) = 0.022% HA VAL 65 - HN GLU- 10 2.381% * 0.0214% (0.19 1.0 0.02 0.02) = 0.021% HA PRO 52 - HN GLU- 18 2.381% * 0.0207% (0.18 1.0 0.02 0.02) = 0.021% HD3 PRO 59 - HN GLU- 18 2.381% * 0.0207% (0.18 1.0 0.02 0.02) = 0.021% HA SER 85 - HN GLU- 18 2.381% * 0.0207% (0.18 1.0 0.02 0.02) = 0.021% HA ARG+ 84 - HN GLU- 10 2.381% * 0.0196% (0.17 1.0 0.02 0.02) = 0.020% HA ILE 29 - HN GLU- 18 2.381% * 0.0191% (0.17 1.0 0.02 0.02) = 0.019% HA VAL 65 - HN GLU- 18 2.381% * 0.0175% (0.15 1.0 0.02 0.02) = 0.017% HA GLU- 75 - HN GLU- 107 2.381% * 0.0174% (0.15 1.0 0.02 0.02) = 0.017% HA ARG+ 84 - HN GLU- 18 2.381% * 0.0160% (0.14 1.0 0.02 0.02) = 0.016% HA PRO 112 - HN GLU- 10 2.381% * 0.0116% (0.10 1.0 0.02 0.02) = 0.012% HA PRO 112 - HN GLU- 18 2.381% * 0.0095% (0.08 1.0 0.02 0.02) = 0.009% HA GLU- 75 - HN GLU- 10 2.381% * 0.0080% (0.07 1.0 0.02 0.02) = 0.008% HA GLU- 75 - HN GLU- 18 2.381% * 0.0066% (0.06 1.0 0.02 0.02) = 0.007% Peak 243 (1.88, 8.47, 124.23 ppm): 30 chemical-shift based assignments, quality = 0.466, support = 1.76, residual support = 3.24: * O HB2 GLU- 10 - HN GLU- 10 3.333% * 73.8632% (0.46 10.0 1.71 2.53) = 73.863% kept HG2 GLU- 18 - HN GLU- 18 3.333% * 10.0926% (0.34 1.0 3.18 12.91) = 10.093% kept HB3 GLN 16 - HN GLU- 18 3.333% * 6.9764% (0.36 1.0 2.05 0.88) = 6.976% kept HG3 LYS+ 120 - HN GLU- 107 3.333% * 4.3737% (0.94 1.0 0.49 0.11) = 4.374% kept HG2 GLU- 18 - HN GLU- 107 3.333% * 2.9797% (0.89 1.0 0.35 0.16) = 2.980% kept HB2 GLU- 10 - HN GLU- 107 3.333% * 0.1876% (1.00 1.0 0.02 0.02) = 0.188% HB3 GLN 16 - HN GLU- 107 3.333% * 0.1811% (0.96 1.0 0.02 0.02) = 0.181% HB3 ARG+ 84 - HN GLU- 107 3.333% * 0.1732% (0.92 1.0 0.02 0.02) = 0.173% HB3 CYS 123 - HN GLU- 107 3.333% * 0.1289% (0.68 1.0 0.02 0.02) = 0.129% HB3 MET 118 - HN GLU- 107 3.333% * 0.0841% (0.45 1.0 0.02 0.02) = 0.084% HB3 GLN 16 - HN GLU- 10 3.333% * 0.0835% (0.44 1.0 0.02 0.02) = 0.083% HG3 LYS+ 120 - HN GLU- 10 3.333% * 0.0818% (0.43 1.0 0.02 0.02) = 0.082% HB3 ARG+ 84 - HN GLU- 10 3.333% * 0.0799% (0.42 1.0 0.02 0.02) = 0.080% HG2 GLU- 18 - HN GLU- 10 3.333% * 0.0776% (0.41 1.0 0.02 0.02) = 0.078% HB2 GLU- 10 - HN GLU- 18 3.333% * 0.0707% (0.37 1.0 0.02 0.02) = 0.071% HG3 LYS+ 120 - HN GLU- 18 3.333% * 0.0669% (0.35 1.0 0.02 0.02) = 0.067% HB3 ARG+ 84 - HN GLU- 18 3.333% * 0.0652% (0.35 1.0 0.02 0.02) = 0.065% HB3 CYS 123 - HN GLU- 10 3.333% * 0.0594% (0.32 1.0 0.02 0.02) = 0.059% HB3 GLU- 54 - HN GLU- 107 3.333% * 0.0579% (0.31 1.0 0.02 0.02) = 0.058% HB3 GLN 102 - HN GLU- 107 3.333% * 0.0522% (0.28 1.0 0.02 0.02) = 0.052% HB3 CYS 123 - HN GLU- 18 3.333% * 0.0485% (0.26 1.0 0.02 0.02) = 0.049% HB3 MET 118 - HN GLU- 10 3.333% * 0.0388% (0.21 1.0 0.02 0.02) = 0.039% HB3 MET 118 - HN GLU- 18 3.333% * 0.0317% (0.17 1.0 0.02 0.02) = 0.032% HD3 LYS+ 63 - HN GLU- 107 3.333% * 0.0289% (0.15 1.0 0.02 0.02) = 0.029% HB3 GLU- 54 - HN GLU- 10 3.333% * 0.0267% (0.14 1.0 0.02 0.02) = 0.027% HB3 GLN 102 - HN GLU- 10 3.333% * 0.0241% (0.13 1.0 0.02 0.02) = 0.024% HB3 GLU- 54 - HN GLU- 18 3.333% * 0.0218% (0.12 1.0 0.02 0.02) = 0.022% HB3 GLN 102 - HN GLU- 18 3.333% * 0.0197% (0.10 1.0 0.02 0.60) = 0.020% HD3 LYS+ 63 - HN GLU- 10 3.333% * 0.0133% (0.07 1.0 0.02 0.02) = 0.013% HD3 LYS+ 63 - HN GLU- 18 3.333% * 0.0109% (0.06 1.0 0.02 0.02) = 0.011% Peak 244 (4.81, 8.47, 124.23 ppm): 12 chemical-shift based assignments, quality = 0.981, support = 2.1, residual support = 8.61: * O HA GLU- 107 - HN GLU- 107 8.333% * 98.6022% (1.00 10.0 2.13 8.74) = 98.602% kept HA ASN 89 - HN GLU- 18 8.333% * 0.8185% (0.09 1.0 1.93 2.30) = 0.818% HA ASN 89 - HN GLU- 107 8.333% * 0.1961% (0.23 1.0 0.17 0.02) = 0.196% HA ASN 89 - HN GLU- 10 8.333% * 0.1103% (0.10 1.0 0.21 0.02) = 0.110% HA MET 97 - HN GLU- 107 8.333% * 0.0790% (0.80 1.0 0.02 0.02) = 0.079% HA GLU- 107 - HN GLU- 10 8.333% * 0.0455% (0.46 1.0 0.02 0.02) = 0.045% HA GLU- 107 - HN GLU- 18 8.333% * 0.0371% (0.37 1.0 0.02 0.16) = 0.037% HA MET 97 - HN GLU- 10 8.333% * 0.0364% (0.37 1.0 0.02 0.02) = 0.036% HA MET 97 - HN GLU- 18 8.333% * 0.0297% (0.30 1.0 0.02 0.38) = 0.030% HA LYS+ 113 - HN GLU- 107 8.333% * 0.0246% (0.25 1.0 0.02 0.02) = 0.025% HA LYS+ 113 - HN GLU- 10 8.333% * 0.0113% (0.11 1.0 0.02 0.02) = 0.011% HA LYS+ 113 - HN GLU- 18 8.333% * 0.0093% (0.09 1.0 0.02 0.17) = 0.009% Peak 245 (2.22, 8.47, 124.23 ppm): 42 chemical-shift based assignments, quality = 0.704, support = 1.98, residual support = 6.97: * HG3 GLU- 107 - HN GLU- 107 2.381% * 55.1036% (1.00 2.59 8.74) = 55.104% kept HG3 GLU- 18 - HN GLU- 18 2.381% * 14.8752% (0.37 1.86 12.91) = 14.875% kept HG3 GLU- 10 - HN GLU- 10 2.381% * 9.0520% (0.17 2.46 2.53) = 9.052% kept HG3 MET 118 - HN GLU- 107 2.381% * 6.3273% (0.94 0.31 0.02) = 6.327% kept HB2 GLU- 50 - HN GLU- 18 2.381% * 2.7610% (0.37 0.35 0.10) = 2.761% kept HA1 GLY 58 - HN GLU- 18 2.381% * 2.3774% (0.14 0.82 0.02) = 2.377% kept HA1 GLY 58 - HN GLU- 107 2.381% * 1.4302% (0.36 0.19 0.02) = 1.430% kept HG3 GLU- 75 - HN GLU- 107 2.381% * 1.0336% (0.64 0.08 0.02) = 1.034% kept HG3 GLU- 75 - HN GLU- 18 2.381% * 0.7703% (0.24 0.15 0.02) = 0.770% HA1 GLY 58 - HN GLU- 10 2.381% * 0.5221% (0.17 0.15 0.02) = 0.522% HB2 GLU- 50 - HN GLU- 107 2.381% * 0.4247% (0.99 0.02 0.02) = 0.425% HG3 GLU- 18 - HN GLU- 107 2.381% * 0.4247% (0.99 0.02 0.16) = 0.425% HG3 GLU- 109 - HN GLU- 107 2.381% * 0.4108% (0.96 0.02 0.02) = 0.411% HG3 MET 126 - HN GLU- 107 2.381% * 0.3929% (0.92 0.02 0.02) = 0.393% HB3 PRO 52 - HN GLU- 107 2.381% * 0.3692% (0.86 0.02 0.02) = 0.369% HG3 GLU- 54 - HN GLU- 107 2.381% * 0.2582% (0.60 0.02 0.02) = 0.258% HG3 GLU- 107 - HN GLU- 10 2.381% * 0.1963% (0.46 0.02 0.02) = 0.196% HB2 GLU- 50 - HN GLU- 10 2.381% * 0.1959% (0.46 0.02 0.02) = 0.196% HG3 GLU- 18 - HN GLU- 10 2.381% * 0.1959% (0.46 0.02 0.02) = 0.196% HB2 LYS+ 113 - HN GLU- 107 2.381% * 0.1908% (0.45 0.02 0.02) = 0.191% HG3 GLU- 109 - HN GLU- 10 2.381% * 0.1894% (0.44 0.02 0.02) = 0.189% HG3 MET 118 - HN GLU- 10 2.381% * 0.1857% (0.43 0.02 0.02) = 0.186% HG3 MET 126 - HN GLU- 10 2.381% * 0.1812% (0.42 0.02 0.02) = 0.181% HB3 PRO 52 - HN GLU- 10 2.381% * 0.1703% (0.40 0.02 0.02) = 0.170% HG3 GLU- 107 - HN GLU- 18 2.381% * 0.1604% (0.37 0.02 0.16) = 0.160% HG3 GLU- 10 - HN GLU- 107 2.381% * 0.1598% (0.37 0.02 0.02) = 0.160% HG3 GLU- 109 - HN GLU- 18 2.381% * 0.1548% (0.36 0.02 0.02) = 0.155% HG3 MET 118 - HN GLU- 18 2.381% * 0.1517% (0.35 0.02 0.02) = 0.152% HG3 MET 126 - HN GLU- 18 2.381% * 0.1480% (0.35 0.02 0.02) = 0.148% HG2 GLU- 56 - HN GLU- 107 2.381% * 0.1452% (0.34 0.02 0.02) = 0.145% HB3 PRO 52 - HN GLU- 18 2.381% * 0.1391% (0.33 0.02 0.02) = 0.139% HG3 GLU- 75 - HN GLU- 10 2.381% * 0.1270% (0.30 0.02 0.02) = 0.127% HG3 GLU- 54 - HN GLU- 10 2.381% * 0.1191% (0.28 0.02 0.02) = 0.119% HG2 MET 126 - HN GLU- 107 2.381% * 0.1183% (0.28 0.02 0.02) = 0.118% HG3 GLU- 54 - HN GLU- 18 2.381% * 0.0973% (0.23 0.02 0.02) = 0.097% HB2 LYS+ 113 - HN GLU- 10 2.381% * 0.0880% (0.21 0.02 0.02) = 0.088% HB2 LYS+ 113 - HN GLU- 18 2.381% * 0.0719% (0.17 0.02 0.17) = 0.072% HG2 GLU- 56 - HN GLU- 10 2.381% * 0.0670% (0.16 0.02 0.02) = 0.067% HG3 GLU- 10 - HN GLU- 18 2.381% * 0.0602% (0.14 0.02 0.02) = 0.060% HG2 GLU- 56 - HN GLU- 18 2.381% * 0.0547% (0.13 0.02 0.02) = 0.055% HG2 MET 126 - HN GLU- 10 2.381% * 0.0546% (0.13 0.02 0.02) = 0.055% HG2 MET 126 - HN GLU- 18 2.381% * 0.0446% (0.10 0.02 0.02) = 0.045% Peak 246 (4.68, 8.47, 124.23 ppm): 21 chemical-shift based assignments, quality = 0.514, support = 1.1, residual support = 0.646: HA ASN 119 - HN GLU- 107 4.762% * 35.0197% (0.99 0.70 0.17) = 35.020% kept HA GLN 16 - HN GLU- 18 4.762% * 30.5220% (0.35 1.74 0.88) = 30.522% kept HA ASN 89 - HN GLU- 18 4.762% * 13.3699% (0.14 1.93 2.30) = 13.370% kept HA LYS+ 120 - HN GLU- 107 4.762% * 9.6852% (0.31 0.62 0.11) = 9.685% kept HA ASN 89 - HN GLU- 107 4.762% * 3.2027% (0.36 0.17 0.02) = 3.203% kept HA ASN 89 - HN GLU- 10 4.762% * 1.8021% (0.17 0.21 0.02) = 1.802% kept HA THR 61 - HN GLU- 107 4.762% * 0.9549% (0.94 0.02 0.02) = 0.955% HA GLN 16 - HN GLU- 107 4.762% * 0.9319% (0.92 0.02 0.02) = 0.932% HA TYR 83 - HN GLU- 107 4.762% * 0.8432% (0.83 0.02 0.02) = 0.843% HA ASN 119 - HN GLU- 10 4.762% * 0.4614% (0.45 0.02 0.02) = 0.461% HA THR 61 - HN GLU- 10 4.762% * 0.4403% (0.43 0.02 0.02) = 0.440% HA GLN 16 - HN GLU- 10 4.762% * 0.4297% (0.42 0.02 0.02) = 0.430% HA TYR 83 - HN GLU- 10 4.762% * 0.3888% (0.38 0.02 0.02) = 0.389% HA ASN 119 - HN GLU- 18 4.762% * 0.3769% (0.37 0.02 0.02) = 0.377% HA THR 61 - HN GLU- 18 4.762% * 0.3597% (0.35 0.02 0.02) = 0.360% HA ASP- 36 - HN GLU- 107 4.762% * 0.3443% (0.34 0.02 0.02) = 0.344% HA TYR 83 - HN GLU- 18 4.762% * 0.3176% (0.31 0.02 0.02) = 0.318% HA ASP- 36 - HN GLU- 10 4.762% * 0.1588% (0.16 0.02 0.02) = 0.159% HA LYS+ 120 - HN GLU- 10 4.762% * 0.1437% (0.14 0.02 0.02) = 0.144% HA ASP- 36 - HN GLU- 18 4.762% * 0.1297% (0.13 0.02 0.02) = 0.130% HA LYS+ 120 - HN GLU- 18 4.762% * 0.1174% (0.12 0.02 0.02) = 0.117% Peak 247 (2.03, 8.47, 124.23 ppm): 54 chemical-shift based assignments, quality = 0.763, support = 2.27, residual support = 7.78: * O HB3 GLU- 107 - HN GLU- 107 1.852% * 70.0632% (1.00 10.0 2.34 8.74) = 70.063% kept O HB3 GLU- 10 - HN GLU- 10 1.852% * 19.5962% (0.28 10.0 2.17 2.53) = 19.596% kept O HB2 GLU- 18 - HN GLU- 18 1.852% * 9.0033% (0.13 10.0 2.23 12.91) = 9.003% kept HB3 LYS+ 110 - HN GLU- 107 1.852% * 0.0676% (0.96 1.0 0.02 0.02) = 0.068% HB3 GLU- 45 - HN GLU- 107 1.852% * 0.0676% (0.96 1.0 0.02 0.02) = 0.068% HG3 PRO 86 - HN GLU- 107 1.852% * 0.0561% (0.80 1.0 0.02 0.02) = 0.056% HB VAL 62 - HN GLU- 107 1.852% * 0.0561% (0.80 1.0 0.02 0.02) = 0.056% HB3 PRO 31 - HN GLU- 107 1.852% * 0.0561% (0.80 1.0 0.02 0.02) = 0.056% HB2 LYS+ 44 - HN GLU- 107 1.852% * 0.0561% (0.80 1.0 0.02 0.02) = 0.056% HB2 PRO 112 - HN GLU- 107 1.852% * 0.0481% (0.68 1.0 0.02 0.02) = 0.048% HB3 GLU- 10 - HN GLU- 107 1.852% * 0.0425% (0.60 1.0 0.02 0.02) = 0.042% HB3 PRO 112 - HN GLU- 107 1.852% * 0.0425% (0.60 1.0 0.02 0.02) = 0.042% HG2 PRO 116 - HN GLU- 107 1.852% * 0.0397% (0.56 1.0 0.02 0.02) = 0.040% HB3 GLU- 75 - HN GLU- 107 1.852% * 0.0384% (0.55 1.0 0.02 0.02) = 0.038% HB2 GLU- 45 - HN GLU- 107 1.852% * 0.0369% (0.52 1.0 0.02 0.02) = 0.037% HB3 GLU- 107 - HN GLU- 10 1.852% * 0.0323% (0.46 1.0 0.02 0.02) = 0.032% HB3 GLU- 45 - HN GLU- 10 1.852% * 0.0312% (0.44 1.0 0.02 0.02) = 0.031% HB3 LYS+ 110 - HN GLU- 10 1.852% * 0.0312% (0.44 1.0 0.02 0.02) = 0.031% HG2 GLU- 64 - HN GLU- 107 1.852% * 0.0288% (0.41 1.0 0.02 0.02) = 0.029% HB3 GLU- 107 - HN GLU- 18 1.852% * 0.0264% (0.37 1.0 0.02 0.16) = 0.026% HG3 PRO 86 - HN GLU- 10 1.852% * 0.0259% (0.37 1.0 0.02 0.02) = 0.026% HB VAL 62 - HN GLU- 10 1.852% * 0.0259% (0.37 1.0 0.02 0.02) = 0.026% HB3 PRO 31 - HN GLU- 10 1.852% * 0.0259% (0.37 1.0 0.02 0.02) = 0.026% HB2 LYS+ 44 - HN GLU- 10 1.852% * 0.0259% (0.37 1.0 0.02 0.02) = 0.026% HB3 GLU- 45 - HN GLU- 18 1.852% * 0.0255% (0.36 1.0 0.02 0.02) = 0.025% HB3 LYS+ 110 - HN GLU- 18 1.852% * 0.0255% (0.36 1.0 0.02 0.02) = 0.025% HB2 GLU- 18 - HN GLU- 107 1.852% * 0.0239% (0.34 1.0 0.02 0.16) = 0.024% HB2 PRO 112 - HN GLU- 10 1.852% * 0.0222% (0.32 1.0 0.02 0.02) = 0.022% HG3 PRO 86 - HN GLU- 18 1.852% * 0.0211% (0.30 1.0 0.02 0.02) = 0.021% HB VAL 62 - HN GLU- 18 1.852% * 0.0211% (0.30 1.0 0.02 0.02) = 0.021% HB3 PRO 31 - HN GLU- 18 1.852% * 0.0211% (0.30 1.0 0.02 0.10) = 0.021% HB2 LYS+ 44 - HN GLU- 18 1.852% * 0.0211% (0.30 1.0 0.02 0.02) = 0.021% HB3 PRO 112 - HN GLU- 10 1.852% * 0.0196% (0.28 1.0 0.02 0.02) = 0.020% HB VAL 105 - HN GLU- 107 1.852% * 0.0195% (0.28 1.0 0.02 0.02) = 0.019% HG2 PRO 116 - HN GLU- 10 1.852% * 0.0183% (0.26 1.0 0.02 0.02) = 0.018% HB2 PRO 112 - HN GLU- 18 1.852% * 0.0181% (0.26 1.0 0.02 0.02) = 0.018% HB3 GLU- 75 - HN GLU- 10 1.852% * 0.0177% (0.25 1.0 0.02 0.02) = 0.018% HB2 HIS+ 14 - HN GLU- 107 1.852% * 0.0175% (0.25 1.0 0.02 0.02) = 0.017% HB2 GLU- 45 - HN GLU- 10 1.852% * 0.0170% (0.24 1.0 0.02 0.02) = 0.017% HB3 GLU- 10 - HN GLU- 18 1.852% * 0.0160% (0.23 1.0 0.02 0.02) = 0.016% HB3 PRO 112 - HN GLU- 18 1.852% * 0.0160% (0.23 1.0 0.02 0.02) = 0.016% HG2 PRO 116 - HN GLU- 18 1.852% * 0.0149% (0.21 1.0 0.02 0.02) = 0.015% HB3 GLU- 75 - HN GLU- 18 1.852% * 0.0145% (0.21 1.0 0.02 0.02) = 0.014% HB2 GLU- 45 - HN GLU- 18 1.852% * 0.0139% (0.20 1.0 0.02 0.02) = 0.014% HG2 PRO 86 - HN GLU- 107 1.852% * 0.0139% (0.20 1.0 0.02 0.02) = 0.014% HG2 GLU- 64 - HN GLU- 10 1.852% * 0.0133% (0.19 1.0 0.02 0.02) = 0.013% HB2 GLU- 18 - HN GLU- 10 1.852% * 0.0110% (0.16 1.0 0.02 0.02) = 0.011% HG2 GLU- 64 - HN GLU- 18 1.852% * 0.0109% (0.15 1.0 0.02 0.02) = 0.011% HB VAL 105 - HN GLU- 10 1.852% * 0.0090% (0.13 1.0 0.02 0.02) = 0.009% HB2 HIS+ 14 - HN GLU- 10 1.852% * 0.0081% (0.11 1.0 0.02 0.02) = 0.008% HB VAL 105 - HN GLU- 18 1.852% * 0.0073% (0.10 1.0 0.02 0.02) = 0.007% HB2 HIS+ 14 - HN GLU- 18 1.852% * 0.0066% (0.09 1.0 0.02 0.02) = 0.007% HG2 PRO 86 - HN GLU- 10 1.852% * 0.0064% (0.09 1.0 0.02 0.02) = 0.006% HG2 PRO 86 - HN GLU- 18 1.852% * 0.0052% (0.07 1.0 0.02 0.02) = 0.005% Peak 248 (8.16, 8.47, 124.23 ppm): 12 chemical-shift based assignments, quality = 0.441, support = 0.286, residual support = 0.064: HN LYS+ 120 - HN GLU- 107 8.333% * 26.8169% (0.48 0.37 0.11) = 26.817% kept HN SER 41 - HN GLU- 10 8.333% * 20.0674% (0.45 0.30 0.02) = 20.067% kept HN SER 41 - HN GLU- 18 8.333% * 13.9851% (0.37 0.25 0.02) = 13.985% kept HN ASN 119 - HN GLU- 107 8.333% * 13.0894% (0.17 0.50 0.17) = 13.089% kept HN SER 77 - HN GLU- 107 8.333% * 12.5029% (0.80 0.10 0.02) = 12.503% kept HN LYS+ 120 - HN GLU- 10 8.333% * 5.7977% (0.22 0.17 0.02) = 5.798% kept HN SER 41 - HN GLU- 107 8.333% * 2.9335% (0.98 0.02 0.02) = 2.933% kept HN ASN 119 - HN GLU- 10 8.333% * 2.0530% (0.08 0.17 0.02) = 2.053% kept HN SER 77 - HN GLU- 10 8.333% * 1.1051% (0.37 0.02 0.02) = 1.105% kept HN SER 77 - HN GLU- 18 8.333% * 0.9028% (0.30 0.02 0.02) = 0.903% HN LYS+ 120 - HN GLU- 18 8.333% * 0.5488% (0.18 0.02 0.02) = 0.549% HN ASN 119 - HN GLU- 18 8.333% * 0.1974% (0.07 0.02 0.02) = 0.197% Reference assignment not found: HN ALA 11 - HN GLU- 10 Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 249 (8.21, 8.22, 124.30 ppm): 1 diagonal assignment: HN ALA 11 - HN ALA 11 (0.64) kept Peak 250 (2.05, 8.22, 124.30 ppm): 14 chemical-shift based assignments, quality = 0.534, support = 0.87, residual support = 1.33: * HB3 GLU- 10 - HN ALA 11 7.143% * 39.1660% (0.64 1.19 3.01) = 39.166% kept HB2 GLU- 45 - HN ALA 11 7.143% * 24.6593% (0.63 0.75 0.23) = 24.659% kept HG3 PRO 86 - HN ALA 11 7.143% * 13.9354% (0.60 0.45 0.11) = 13.935% kept HB3 GLU- 45 - HN ALA 11 7.143% * 10.9867% (0.29 0.74 0.23) = 10.987% kept HB2 LYS+ 44 - HN ALA 11 7.143% * 7.8833% (0.16 0.96 0.67) = 7.883% kept HB VAL 62 - HN ALA 11 7.143% * 0.6245% (0.60 0.02 0.02) = 0.625% HB3 LYS+ 110 - HN ALA 11 7.143% * 0.5045% (0.49 0.02 0.02) = 0.505% HB2 PRO 112 - HN ALA 11 7.143% * 0.4715% (0.11 0.08 0.02) = 0.472% HB3 GLU- 75 - HN ALA 11 7.143% * 0.4660% (0.45 0.02 0.02) = 0.466% HB3 GLU- 107 - HN ALA 11 7.143% * 0.4004% (0.39 0.02 0.02) = 0.400% HB3 PRO 112 - HN ALA 11 7.143% * 0.3644% (0.09 0.08 0.02) = 0.364% HG3 ARG+ 53 - HN ALA 11 7.143% * 0.2714% (0.26 0.02 0.02) = 0.271% HB3 PRO 31 - HN ALA 11 7.143% * 0.1646% (0.16 0.02 0.02) = 0.165% HB3 LYS+ 120 - HN ALA 11 7.143% * 0.1019% (0.10 0.02 0.02) = 0.102% Peak 251 (4.21, 8.22, 124.30 ppm): 17 chemical-shift based assignments, quality = 0.6, support = 1.35, residual support = 6.88: O HA ALA 11 - HN ALA 11 5.882% * 85.7655% (0.62 10.0 1.43 7.75) = 85.766% kept HA GLU- 12 - HN ALA 11 5.882% * 6.1440% (0.53 1.0 1.19 3.51) = 6.144% kept HA ASN 89 - HN ALA 11 5.882% * 3.9176% (0.60 1.0 0.67 0.22) = 3.918% kept HB3 HIS+ 14 - HN ALA 11 5.882% * 2.1749% (0.64 1.0 0.35 0.02) = 2.175% kept HA LYS+ 44 - HN ALA 11 5.882% * 1.1813% (0.14 1.0 0.87 0.67) = 1.181% kept HA GLU- 109 - HN ALA 11 5.882% * 0.1237% (0.64 1.0 0.02 0.02) = 0.124% HA ASP- 82 - HN ALA 11 5.882% * 0.1076% (0.55 1.0 0.02 0.02) = 0.108% HB3 SER 49 - HN ALA 11 5.882% * 0.0993% (0.51 1.0 0.02 0.02) = 0.099% HA LYS+ 110 - HN ALA 11 5.882% * 0.0948% (0.49 1.0 0.02 0.02) = 0.095% HA ALA 42 - HN ALA 11 5.882% * 0.0900% (0.46 1.0 0.02 0.02) = 0.090% HA GLU- 64 - HN ALA 11 5.882% * 0.0752% (0.39 1.0 0.02 0.02) = 0.075% HA GLU- 18 - HN ALA 11 5.882% * 0.0465% (0.24 1.0 0.02 0.02) = 0.047% HA MET 126 - HN ALA 11 5.882% * 0.0423% (0.22 1.0 0.02 0.02) = 0.042% HA SER 49 - HN ALA 11 5.882% * 0.0423% (0.22 1.0 0.02 0.02) = 0.042% HA VAL 73 - HN ALA 11 5.882% * 0.0360% (0.19 1.0 0.02 0.02) = 0.036% HA GLU- 54 - HN ALA 11 5.882% * 0.0345% (0.18 1.0 0.02 0.02) = 0.034% HA HIS+ 8 - HN ALA 11 5.882% * 0.0245% (0.13 1.0 0.02 0.02) = 0.025% Peak 252 (1.35, 8.22, 124.30 ppm): 10 chemical-shift based assignments, quality = 0.408, support = 1.49, residual support = 7.66: O QB ALA 11 - HN ALA 11 10.000% * 98.8137% (0.41 10.0 1.51 7.75) = 98.814% kept HG3 LYS+ 20 - HN ALA 11 10.000% * 0.2009% (0.63 1.0 0.02 0.02) = 0.201% HG13 ILE 19 - HN ALA 11 10.000% * 0.1917% (0.60 1.0 0.02 0.02) = 0.192% HG3 ARG+ 22 - HN ALA 11 10.000% * 0.1871% (0.59 1.0 0.02 0.02) = 0.187% HB2 LEU 17 - HN ALA 11 10.000% * 0.1693% (0.53 1.0 0.02 0.02) = 0.169% QB ALA 91 - HN ALA 11 10.000% * 0.1549% (0.49 1.0 0.02 0.02) = 0.155% HG LEU 74 - HN ALA 11 10.000% * 0.1151% (0.36 1.0 0.02 0.02) = 0.115% HB3 LYS+ 20 - HN ALA 11 10.000% * 0.0691% (0.22 1.0 0.02 0.02) = 0.069% HG2 LYS+ 78 - HN ALA 11 10.000% * 0.0626% (0.20 1.0 0.02 0.02) = 0.063% QG2 THR 39 - HN ALA 11 10.000% * 0.0355% (0.11 1.0 0.02 0.02) = 0.035% Peak 253 (1.52, 8.30, 124.11 ppm): 20 chemical-shift based assignments, quality = 0.852, support = 1.38, residual support = 3.32: * HG LEU 9 - HN LEU 9 5.000% * 56.4790% (0.96 1.74 4.55) = 56.479% kept HG LEU 9 - HN HIS+ 8 5.000% * 33.5283% (0.86 1.16 2.22) = 33.528% kept HB3 LEU 23 - HN LEU 9 5.000% * 2.0095% (0.54 0.11 0.02) = 2.009% kept HB3 LEU 23 - HN HIS+ 8 5.000% * 1.8949% (0.48 0.12 0.02) = 1.895% kept HG LEU 74 - HN HIS+ 8 5.000% * 1.0229% (0.14 0.21 0.02) = 1.023% kept HG LEU 74 - HN LEU 9 5.000% * 0.7084% (0.16 0.13 1.30) = 0.708% QG2 VAL 80 - HN LEU 9 5.000% * 0.5832% (0.86 0.02 0.02) = 0.583% HG LEU 43 - HN LEU 9 5.000% * 0.5640% (0.83 0.02 0.02) = 0.564% QG2 VAL 80 - HN HIS+ 8 5.000% * 0.5193% (0.77 0.02 0.02) = 0.519% HG LEU 43 - HN HIS+ 8 5.000% * 0.5023% (0.74 0.02 0.02) = 0.502% HG3 LYS+ 72 - HN LEU 9 5.000% * 0.3681% (0.54 0.02 0.02) = 0.368% HG3 LYS+ 72 - HN HIS+ 8 5.000% * 0.3278% (0.48 0.02 0.02) = 0.328% HB2 LYS+ 72 - HN LEU 9 5.000% * 0.2915% (0.43 0.02 0.02) = 0.292% HB2 LYS+ 72 - HN HIS+ 8 5.000% * 0.2596% (0.38 0.02 0.02) = 0.260% HD3 LYS+ 108 - HN LEU 9 5.000% * 0.2218% (0.33 0.02 0.02) = 0.222% HD3 LYS+ 108 - HN HIS+ 8 5.000% * 0.1975% (0.29 0.02 0.02) = 0.198% QG2 THR 24 - HN LEU 9 5.000% * 0.1621% (0.24 0.02 0.02) = 0.162% QG2 THR 24 - HN HIS+ 8 5.000% * 0.1444% (0.21 0.02 0.02) = 0.144% HG13 ILE 29 - HN LEU 9 5.000% * 0.1139% (0.17 0.02 0.02) = 0.114% HG13 ILE 29 - HN HIS+ 8 5.000% * 0.1014% (0.15 0.02 0.02) = 0.101% Peak 254 (4.73, 8.30, 124.11 ppm): 14 chemical-shift based assignments, quality = 0.811, support = 2.51, residual support = 6.9: O HA HIS+ 7 - HN HIS+ 8 7.143% * 91.6450% (0.81 10.0 2.62 7.48) = 91.645% kept HA HIS+ 7 - HN LEU 9 7.143% * 7.5905% (0.91 1.0 1.48 0.51) = 7.590% kept HA ASN 89 - HN HIS+ 8 7.143% * 0.1816% (0.26 1.0 0.12 0.02) = 0.182% HA PRO 31 - HN LEU 9 7.143% * 0.0871% (0.77 1.0 0.02 0.02) = 0.087% HA PRO 31 - HN HIS+ 8 7.143% * 0.0776% (0.69 1.0 0.02 0.02) = 0.078% HA HIS+ 5 - HN LEU 9 7.143% * 0.0530% (0.47 1.0 0.02 0.02) = 0.053% HA MET 118 - HN LEU 9 7.143% * 0.0530% (0.47 1.0 0.02 0.02) = 0.053% HA2 GLY 30 - HN LEU 9 7.143% * 0.0530% (0.47 1.0 0.02 0.02) = 0.053% HA HIS+ 5 - HN HIS+ 8 7.143% * 0.0472% (0.42 1.0 0.02 0.02) = 0.047% HA MET 118 - HN HIS+ 8 7.143% * 0.0472% (0.42 1.0 0.02 0.02) = 0.047% HA2 GLY 30 - HN HIS+ 8 7.143% * 0.0472% (0.42 1.0 0.02 0.02) = 0.047% HA VAL 40 - HN LEU 9 7.143% * 0.0447% (0.40 1.0 0.02 3.78) = 0.045% HA VAL 40 - HN HIS+ 8 7.143% * 0.0398% (0.35 1.0 0.02 0.02) = 0.040% HA ASN 89 - HN LEU 9 7.143% * 0.0334% (0.30 1.0 0.02 0.02) = 0.033% Peak 255 (1.66, 8.30, 124.11 ppm): 16 chemical-shift based assignments, quality = 0.862, support = 2.22, residual support = 8.3: O HB2 HIS+ 8 - HN HIS+ 8 6.250% * 84.7750% (0.86 10.0 2.32 9.50) = 84.775% kept * HB2 HIS+ 8 - HN LEU 9 6.250% * 10.7408% (0.96 1.0 2.26 2.22) = 10.741% kept HB3 ARG+ 22 - HN LEU 9 6.250% * 1.4254% (0.83 1.0 0.35 0.57) = 1.425% kept HB3 ARG+ 22 - HN HIS+ 8 6.250% * 1.3441% (0.74 1.0 0.37 0.02) = 1.344% kept HB3 MET 97 - HN LEU 9 6.250% * 1.2179% (0.89 1.0 0.28 0.02) = 1.218% kept HG3 ARG+ 84 - HN LEU 9 6.250% * 0.0952% (0.96 1.0 0.02 0.02) = 0.095% HG3 ARG+ 84 - HN HIS+ 8 6.250% * 0.0848% (0.86 1.0 0.02 0.02) = 0.085% HB3 MET 97 - HN HIS+ 8 6.250% * 0.0783% (0.79 1.0 0.02 0.02) = 0.078% HB3 MET 126 - HN LEU 9 6.250% * 0.0691% (0.70 1.0 0.02 0.02) = 0.069% HB3 MET 126 - HN HIS+ 8 6.250% * 0.0616% (0.62 1.0 0.02 0.02) = 0.062% HB VAL 99 - HN LEU 9 6.250% * 0.0212% (0.21 1.0 0.02 0.22) = 0.021% HD3 LYS+ 55 - HN LEU 9 6.250% * 0.0212% (0.21 1.0 0.02 0.02) = 0.021% HD3 LYS+ 55 - HN HIS+ 8 6.250% * 0.0189% (0.19 1.0 0.02 0.02) = 0.019% HB VAL 99 - HN HIS+ 8 6.250% * 0.0189% (0.19 1.0 0.02 0.02) = 0.019% HG LEU 23 - HN LEU 9 6.250% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% HG LEU 23 - HN HIS+ 8 6.250% * 0.0131% (0.13 1.0 0.02 0.02) = 0.013% Peak 256 (4.24, 8.30, 124.11 ppm): 40 chemical-shift based assignments, quality = 0.888, support = 2.29, residual support = 6.17: * O HA HIS+ 8 - HN HIS+ 8 2.500% * 54.7491% (0.85 10.0 3.05 9.50) = 54.749% kept O HA HIS+ 8 - HN LEU 9 2.500% * 43.7597% (0.96 10.0 1.42 2.22) = 43.760% kept HA ASN 89 - HN HIS+ 8 2.500% * 0.3076% (0.79 1.0 0.12 0.02) = 0.308% HA GLU- 54 - HN LEU 9 2.500% * 0.0595% (0.93 1.0 0.02 0.02) = 0.059% HA SER 49 - HN LEU 9 2.500% * 0.0569% (0.89 1.0 0.02 0.02) = 0.057% HA ASN 89 - HN LEU 9 2.500% * 0.0566% (0.88 1.0 0.02 0.02) = 0.057% HA GLU- 18 - HN LEU 9 2.500% * 0.0553% (0.86 1.0 0.02 0.02) = 0.055% HA PRO 59 - HN LEU 9 2.500% * 0.0534% (0.83 1.0 0.02 0.51) = 0.053% HA GLU- 54 - HN HIS+ 8 2.500% * 0.0530% (0.83 1.0 0.02 0.02) = 0.053% HA LYS+ 108 - HN LEU 9 2.500% * 0.0515% (0.80 1.0 0.02 0.02) = 0.051% HA SER 49 - HN HIS+ 8 2.500% * 0.0507% (0.79 1.0 0.02 0.02) = 0.051% HA GLU- 18 - HN HIS+ 8 2.500% * 0.0492% (0.77 1.0 0.02 0.02) = 0.049% HA PRO 59 - HN HIS+ 8 2.500% * 0.0476% (0.74 1.0 0.02 0.02) = 0.048% HA LYS+ 108 - HN HIS+ 8 2.500% * 0.0458% (0.72 1.0 0.02 0.02) = 0.046% HA HIS+ 4 - HN LEU 9 2.500% * 0.0423% (0.66 1.0 0.02 0.02) = 0.042% HA HIS+ 4 - HN HIS+ 8 2.500% * 0.0377% (0.59 1.0 0.02 0.02) = 0.038% HA2 GLY 114 - HN LEU 9 2.500% * 0.0349% (0.54 1.0 0.02 0.02) = 0.035% HA ALA 42 - HN LEU 9 2.500% * 0.0349% (0.54 1.0 0.02 0.02) = 0.035% HA LYS+ 110 - HN LEU 9 2.500% * 0.0324% (0.51 1.0 0.02 0.02) = 0.032% HA ALA 42 - HN HIS+ 8 2.500% * 0.0311% (0.48 1.0 0.02 0.02) = 0.031% HA2 GLY 114 - HN HIS+ 8 2.500% * 0.0311% (0.48 1.0 0.02 0.02) = 0.031% HB3 SER 49 - HN LEU 9 2.500% * 0.0300% (0.47 1.0 0.02 0.02) = 0.030% HA LYS+ 110 - HN HIS+ 8 2.500% * 0.0289% (0.45 1.0 0.02 0.02) = 0.029% HA GLU- 12 - HN LEU 9 2.500% * 0.0276% (0.43 1.0 0.02 0.02) = 0.028% HA GLU- 56 - HN LEU 9 2.500% * 0.0276% (0.43 1.0 0.02 0.02) = 0.028% HB3 SER 49 - HN HIS+ 8 2.500% * 0.0267% (0.42 1.0 0.02 0.02) = 0.027% HA VAL 73 - HN LEU 9 2.500% * 0.0267% (0.42 1.0 0.02 0.02) = 0.027% HA GLU- 12 - HN HIS+ 8 2.500% * 0.0246% (0.38 1.0 0.02 0.02) = 0.025% HA GLU- 56 - HN HIS+ 8 2.500% * 0.0246% (0.38 1.0 0.02 0.02) = 0.025% HA VAL 73 - HN HIS+ 8 2.500% * 0.0238% (0.37 1.0 0.02 0.02) = 0.024% HA ALA 11 - HN LEU 9 2.500% * 0.0171% (0.27 1.0 0.02 0.02) = 0.017% HA GLU- 75 - HN LEU 9 2.500% * 0.0154% (0.24 1.0 0.02 0.02) = 0.015% HA ALA 11 - HN HIS+ 8 2.500% * 0.0153% (0.24 1.0 0.02 0.02) = 0.015% HA GLU- 75 - HN HIS+ 8 2.500% * 0.0137% (0.21 1.0 0.02 0.02) = 0.014% HB3 HIS+ 14 - HN LEU 9 2.500% * 0.0122% (0.19 1.0 0.02 0.02) = 0.012% HB3 HIS+ 14 - HN HIS+ 8 2.500% * 0.0109% (0.17 1.0 0.02 0.02) = 0.011% HA GLU- 109 - HN LEU 9 2.500% * 0.0095% (0.15 1.0 0.02 0.02) = 0.010% HA LYS+ 44 - HN LEU 9 2.500% * 0.0090% (0.14 1.0 0.02 0.02) = 0.009% HA GLU- 109 - HN HIS+ 8 2.500% * 0.0085% (0.13 1.0 0.02 0.02) = 0.008% HA LYS+ 44 - HN HIS+ 8 2.500% * 0.0080% (0.13 1.0 0.02 0.02) = 0.008% Peak 257 (1.76, 8.30, 124.11 ppm): 16 chemical-shift based assignments, quality = 0.848, support = 1.58, residual support = 4.74: * HB2 HIS+ 7 - HN HIS+ 8 6.250% * 61.0550% (0.86 2.04 7.48) = 61.055% kept HB2 HIS+ 7 - HN LEU 9 6.250% * 33.8443% (0.96 1.01 0.51) = 33.844% kept HB VAL 94 - HN LEU 9 6.250% * 0.6720% (0.96 0.02 0.02) = 0.672% HB2 ARG+ 84 - HN LEU 9 6.250% * 0.6675% (0.95 0.02 0.02) = 0.668% HB VAL 94 - HN HIS+ 8 6.250% * 0.5984% (0.85 0.02 0.02) = 0.598% HB2 ARG+ 84 - HN HIS+ 8 6.250% * 0.5944% (0.85 0.02 0.02) = 0.594% HG2 PRO 31 - HN HIS+ 8 6.250% * 0.4027% (0.15 0.08 0.02) = 0.403% HB3 ARG+ 53 - HN LEU 9 6.250% * 0.3813% (0.54 0.02 0.02) = 0.381% HB3 GLU- 18 - HN LEU 9 6.250% * 0.3813% (0.54 0.02 0.02) = 0.381% HB3 GLU- 18 - HN HIS+ 8 6.250% * 0.3396% (0.48 0.02 0.02) = 0.340% HB3 ARG+ 53 - HN HIS+ 8 6.250% * 0.3396% (0.48 0.02 0.02) = 0.340% HB3 GLU- 50 - HN LEU 9 6.250% * 0.1873% (0.27 0.02 0.02) = 0.187% HB3 GLU- 50 - HN HIS+ 8 6.250% * 0.1668% (0.24 0.02 0.02) = 0.167% HB3 PRO 116 - HN LEU 9 6.250% * 0.1333% (0.19 0.02 0.02) = 0.133% HB3 PRO 116 - HN HIS+ 8 6.250% * 0.1187% (0.17 0.02 0.02) = 0.119% HG2 PRO 31 - HN LEU 9 6.250% * 0.1179% (0.17 0.02 0.02) = 0.118% Peak 258 (3.05, 8.30, 124.11 ppm): 4 chemical-shift based assignments, quality = 0.868, support = 2.31, residual support = 8.67: O HB3 HIS+ 8 - HN HIS+ 8 25.000% * 88.6903% (0.86 10.0 2.32 9.50) = 88.690% kept * HB3 HIS+ 8 - HN LEU 9 25.000% * 11.2368% (0.96 1.0 2.26 2.22) = 11.237% kept HA1 GLY 58 - HN LEU 9 25.000% * 0.0385% (0.37 1.0 0.02 0.48) = 0.039% HA1 GLY 58 - HN HIS+ 8 25.000% * 0.0343% (0.33 1.0 0.02 0.02) = 0.034% Peak 259 (0.84, 8.30, 124.11 ppm): 28 chemical-shift based assignments, quality = 0.544, support = 0.0733, residual support = 0.148: HG LEU 74 - HN HIS+ 8 3.571% * 14.5077% (0.34 0.21 0.02) = 14.508% kept HG LEU 74 - HN LEU 9 3.571% * 10.0467% (0.38 0.13 1.30) = 10.047% kept HB ILE 101 - HN HIS+ 8 3.571% * 9.4663% (0.59 0.08 0.02) = 9.466% kept QG1 VAL 94 - HN HIS+ 8 3.571% * 9.1376% (0.45 0.10 0.02) = 9.138% kept QG2 ILE 100 - HN LEU 9 3.571% * 4.3027% (0.27 0.08 0.02) = 4.303% kept QG2 VAL 13 - HN LEU 9 3.571% * 3.8426% (0.94 0.02 0.02) = 3.843% kept HG2 LYS+ 117 - HN LEU 9 3.571% * 3.7083% (0.91 0.02 0.02) = 3.708% kept QD1 ILE 29 - HN LEU 9 3.571% * 3.5157% (0.86 0.02 0.02) = 3.516% kept QG2 VAL 13 - HN HIS+ 8 3.571% * 3.4219% (0.84 0.02 0.02) = 3.422% kept HG2 LYS+ 117 - HN HIS+ 8 3.571% * 3.3023% (0.81 0.02 0.02) = 3.302% kept HG3 LYS+ 117 - HN LEU 9 3.571% * 3.2744% (0.80 0.02 0.02) = 3.274% kept QG1 VAL 13 - HN LEU 9 3.571% * 3.1390% (0.77 0.02 0.02) = 3.139% kept QD1 ILE 29 - HN HIS+ 8 3.571% * 3.1308% (0.77 0.02 0.02) = 3.131% kept HG3 LYS+ 117 - HN HIS+ 8 3.571% * 2.9159% (0.72 0.02 0.02) = 2.916% kept QG1 VAL 13 - HN HIS+ 8 3.571% * 2.7954% (0.69 0.02 0.02) = 2.795% kept HB ILE 101 - HN LEU 9 3.571% * 2.6928% (0.66 0.02 0.02) = 2.693% kept HG2 LYS+ 113 - HN LEU 9 3.571% * 2.3777% (0.58 0.02 0.02) = 2.378% kept HG2 LYS+ 113 - HN HIS+ 8 3.571% * 2.1174% (0.52 0.02 0.02) = 2.117% kept QG1 VAL 94 - HN LEU 9 3.571% * 2.0625% (0.51 0.02 0.02) = 2.062% kept HG3 LYS+ 113 - HN LEU 9 3.571% * 1.6116% (0.40 0.02 0.02) = 1.612% kept HG3 LYS+ 113 - HN HIS+ 8 3.571% * 1.4352% (0.35 0.02 0.02) = 1.435% kept QD1 LEU 90 - HN LEU 9 3.571% * 1.2100% (0.30 0.02 0.02) = 1.210% kept QD2 LEU 17 - HN LEU 9 3.571% * 1.2100% (0.30 0.02 0.02) = 1.210% kept QD1 LEU 90 - HN HIS+ 8 3.571% * 1.0775% (0.26 0.02 0.02) = 1.077% kept QD2 LEU 17 - HN HIS+ 8 3.571% * 1.0775% (0.26 0.02 0.02) = 1.077% kept QG2 ILE 100 - HN HIS+ 8 3.571% * 0.9706% (0.24 0.02 0.02) = 0.971% QD2 LEU 90 - HN LEU 9 3.571% * 0.8728% (0.21 0.02 0.02) = 0.873% QD2 LEU 90 - HN HIS+ 8 3.571% * 0.7772% (0.19 0.02 0.02) = 0.777% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 260 (1.53, 8.29, 124.01 ppm): 24 chemical-shift based assignments, quality = 0.464, support = 1.49, residual support = 3.92: * O HB3 LEU 9 - HN LEU 9 4.167% * 56.8341% (0.27 10.0 1.57 4.55) = 56.834% kept HG LEU 9 - HN LEU 9 4.167% * 20.2686% (0.88 1.0 1.74 4.55) = 20.269% kept HG LEU 9 - HN HIS+ 8 4.167% * 12.4043% (0.80 1.0 1.16 2.22) = 12.404% kept HB3 LEU 9 - HN HIS+ 8 4.167% * 5.7783% (0.25 1.0 1.74 2.22) = 5.778% kept HB3 LEU 23 - HN LEU 9 4.167% * 1.1863% (0.82 1.0 0.11 0.02) = 1.186% kept HB3 LEU 23 - HN HIS+ 8 4.167% * 1.1533% (0.75 1.0 0.12 0.02) = 1.153% kept HG LEU 74 - HN HIS+ 8 4.167% * 0.3961% (0.14 1.0 0.21 0.02) = 0.396% HG LEU 74 - HN LEU 9 4.167% * 0.2661% (0.15 1.0 0.13 1.30) = 0.266% QG2 VAL 80 - HN LEU 9 4.167% * 0.2602% (0.98 1.0 0.02 0.02) = 0.260% QG2 VAL 80 - HN HIS+ 8 4.167% * 0.2389% (0.90 1.0 0.02 0.02) = 0.239% HG LEU 43 - HN LEU 9 4.167% * 0.1578% (0.59 1.0 0.02 0.02) = 0.158% HG LEU 43 - HN HIS+ 8 4.167% * 0.1449% (0.54 1.0 0.02 0.02) = 0.145% QG2 THR 24 - HN LEU 9 4.167% * 0.1267% (0.48 1.0 0.02 0.02) = 0.127% QG2 THR 24 - HN HIS+ 8 4.167% * 0.1163% (0.44 1.0 0.02 0.02) = 0.116% HG13 ILE 29 - HN LEU 9 4.167% * 0.0977% (0.37 1.0 0.02 0.02) = 0.098% HG13 ILE 29 - HN HIS+ 8 4.167% * 0.0897% (0.34 1.0 0.02 0.02) = 0.090% HG3 LYS+ 72 - HN LEU 9 4.167% * 0.0803% (0.30 1.0 0.02 0.02) = 0.080% HG3 LYS+ 72 - HN HIS+ 8 4.167% * 0.0737% (0.28 1.0 0.02 0.02) = 0.074% HB3 LEU 90 - HN LEU 9 4.167% * 0.0723% (0.27 1.0 0.02 0.02) = 0.072% HB3 LEU 90 - HN HIS+ 8 4.167% * 0.0664% (0.25 1.0 0.02 0.02) = 0.066% HB2 LYS+ 72 - HN LEU 9 4.167% * 0.0579% (0.22 1.0 0.02 0.02) = 0.058% HB2 LYS+ 72 - HN HIS+ 8 4.167% * 0.0532% (0.20 1.0 0.02 0.02) = 0.053% HD3 LYS+ 108 - HN LEU 9 4.167% * 0.0401% (0.15 1.0 0.02 0.02) = 0.040% HD3 LYS+ 108 - HN HIS+ 8 4.167% * 0.0369% (0.14 1.0 0.02 0.02) = 0.037% Peak 261 (8.29, 8.29, 124.01 ppm): 2 diagonal assignments: * HN LEU 9 - HN LEU 9 (0.97) kept HN HIS+ 8 - HN HIS+ 8 (0.78) kept Peak 262 (4.58, 8.29, 124.01 ppm): 10 chemical-shift based assignments, quality = 0.962, support = 1.57, residual support = 4.31: * O HA LEU 9 - HN LEU 9 10.000% * 90.1475% (0.98 10.0 1.57 4.55) = 90.147% kept HA LEU 9 - HN HIS+ 8 10.000% * 9.0454% (0.90 1.0 1.72 2.22) = 9.045% kept HA ASN 89 - HN HIS+ 8 10.000% * 0.3137% (0.44 1.0 0.12 0.02) = 0.314% HA ASP- 25 - HN LEU 9 10.000% * 0.1107% (0.94 1.0 0.02 0.02) = 0.111% HA ASP- 25 - HN HIS+ 8 10.000% * 0.1017% (0.87 1.0 0.02 0.02) = 0.102% HA LYS+ 72 - HN LEU 9 10.000% * 0.0742% (0.63 1.0 0.02 0.02) = 0.074% HA LYS+ 72 - HN HIS+ 8 10.000% * 0.0681% (0.58 1.0 0.02 0.02) = 0.068% HA ASN 89 - HN LEU 9 10.000% * 0.0560% (0.48 1.0 0.02 0.02) = 0.056% HA HIS+ 6 - HN LEU 9 10.000% * 0.0431% (0.37 1.0 0.02 0.02) = 0.043% HA HIS+ 6 - HN HIS+ 8 10.000% * 0.0395% (0.34 1.0 0.02 0.02) = 0.040% Peak 263 (4.74, 8.29, 124.01 ppm): 14 chemical-shift based assignments, quality = 0.888, support = 2.52, residual support = 6.91: * O HA HIS+ 7 - HN HIS+ 8 7.143% * 91.8426% (0.89 10.0 2.62 7.48) = 91.843% kept HA HIS+ 7 - HN LEU 9 7.143% * 7.3787% (0.97 1.0 1.48 0.51) = 7.379% kept HA ASN 89 - HN HIS+ 8 7.143% * 0.1694% (0.27 1.0 0.12 0.02) = 0.169% HA MET 118 - HN LEU 9 7.143% * 0.0771% (0.75 1.0 0.02 0.02) = 0.077% HA HIS+ 5 - HN LEU 9 7.143% * 0.0771% (0.75 1.0 0.02 0.02) = 0.077% HA HIS+ 5 - HN HIS+ 8 7.143% * 0.0708% (0.69 1.0 0.02 0.02) = 0.071% HA MET 118 - HN HIS+ 8 7.143% * 0.0708% (0.69 1.0 0.02 0.02) = 0.071% HA VAL 40 - HN LEU 9 7.143% * 0.0693% (0.67 1.0 0.02 3.78) = 0.069% HA VAL 40 - HN HIS+ 8 7.143% * 0.0637% (0.62 1.0 0.02 0.02) = 0.064% HA PRO 31 - HN LEU 9 7.143% * 0.0531% (0.51 1.0 0.02 0.02) = 0.053% HA PRO 31 - HN HIS+ 8 7.143% * 0.0488% (0.47 1.0 0.02 0.02) = 0.049% HA ASN 89 - HN LEU 9 7.143% * 0.0303% (0.29 1.0 0.02 0.02) = 0.030% HA2 GLY 30 - HN LEU 9 7.143% * 0.0252% (0.24 1.0 0.02 0.02) = 0.025% HA2 GLY 30 - HN HIS+ 8 7.143% * 0.0231% (0.22 1.0 0.02 0.02) = 0.023% Peak 264 (1.79, 8.29, 124.01 ppm): 30 chemical-shift based assignments, quality = 0.818, support = 1.52, residual support = 4.66: * HB3 HIS+ 7 - HN HIS+ 8 3.333% * 60.4947% (0.90 2.12 7.48) = 60.495% kept HB3 HIS+ 7 - HN LEU 9 3.333% * 26.6603% (0.98 0.86 0.51) = 26.660% kept HG2 PRO 31 - HN HIS+ 8 3.333% * 1.8941% (0.78 0.08 0.02) = 1.894% kept HB2 LYS+ 117 - HN LEU 9 3.333% * 0.6190% (0.97 0.02 0.02) = 0.619% HB3 LYS+ 113 - HN LEU 9 3.333% * 0.6190% (0.97 0.02 0.02) = 0.619% HB3 LYS+ 108 - HN LEU 9 3.333% * 0.6148% (0.97 0.02 0.02) = 0.615% HB3 LYS+ 117 - HN LEU 9 3.333% * 0.6080% (0.96 0.02 0.02) = 0.608% HB3 LYS+ 63 - HN LEU 9 3.333% * 0.5987% (0.94 0.02 0.02) = 0.599% HB3 LYS+ 44 - HN LEU 9 3.333% * 0.5726% (0.90 0.02 0.02) = 0.573% HB3 LYS+ 113 - HN HIS+ 8 3.333% * 0.5682% (0.89 0.02 0.02) = 0.568% HB2 LYS+ 117 - HN HIS+ 8 3.333% * 0.5682% (0.89 0.02 0.02) = 0.568% HB3 LYS+ 108 - HN HIS+ 8 3.333% * 0.5645% (0.89 0.02 0.02) = 0.564% HB3 LYS+ 117 - HN HIS+ 8 3.333% * 0.5582% (0.88 0.02 0.02) = 0.558% HB3 LYS+ 63 - HN HIS+ 8 3.333% * 0.5496% (0.87 0.02 0.02) = 0.550% HG2 PRO 31 - HN LEU 9 3.333% * 0.5381% (0.85 0.02 0.02) = 0.538% HB3 LYS+ 44 - HN HIS+ 8 3.333% * 0.5257% (0.83 0.02 0.02) = 0.526% HB3 PRO 116 - HN LEU 9 3.333% * 0.5181% (0.82 0.02 0.02) = 0.518% HB3 PRO 116 - HN HIS+ 8 3.333% * 0.4757% (0.75 0.02 0.02) = 0.476% HB2 GLU- 109 - HN LEU 9 3.333% * 0.3019% (0.48 0.02 0.02) = 0.302% HB2 GLU- 109 - HN HIS+ 8 3.333% * 0.2772% (0.44 0.02 0.02) = 0.277% HB3 GLU- 18 - HN LEU 9 3.333% * 0.2550% (0.40 0.02 0.02) = 0.255% HB3 ARG+ 53 - HN LEU 9 3.333% * 0.2550% (0.40 0.02 0.02) = 0.255% HB3 ARG+ 53 - HN HIS+ 8 3.333% * 0.2341% (0.37 0.02 0.02) = 0.234% HB3 GLU- 18 - HN HIS+ 8 3.333% * 0.2341% (0.37 0.02 0.02) = 0.234% HD3 LYS+ 72 - HN LEU 9 3.333% * 0.2328% (0.37 0.02 0.02) = 0.233% HD3 LYS+ 72 - HN HIS+ 8 3.333% * 0.2137% (0.34 0.02 0.02) = 0.214% HD3 LYS+ 117 - HN LEU 9 3.333% * 0.1381% (0.22 0.02 0.02) = 0.138% HD3 LYS+ 117 - HN HIS+ 8 3.333% * 0.1268% (0.20 0.02 0.02) = 0.127% HB VAL 73 - HN LEU 9 3.333% * 0.0957% (0.15 0.02 0.02) = 0.096% HB VAL 73 - HN HIS+ 8 3.333% * 0.0879% (0.14 0.02 0.02) = 0.088% Peak 265 (4.23, 8.29, 124.01 ppm): 40 chemical-shift based assignments, quality = 0.909, support = 2.31, residual support = 6.22: O HA HIS+ 8 - HN HIS+ 8 2.500% * 55.4664% (0.89 10.0 3.05 9.50) = 55.466% kept * O HA HIS+ 8 - HN LEU 9 2.500% * 43.0035% (0.97 10.0 1.42 2.22) = 43.003% kept HA ASN 89 - HN HIS+ 8 2.500% * 0.3146% (0.83 1.0 0.12 0.02) = 0.315% HA GLU- 54 - HN LEU 9 2.500% * 0.0608% (0.97 1.0 0.02 0.02) = 0.061% HA SER 49 - HN LEU 9 2.500% * 0.0597% (0.96 1.0 0.02 0.02) = 0.060% HA GLU- 18 - HN LEU 9 2.500% * 0.0588% (0.94 1.0 0.02 0.02) = 0.059% HA ASN 89 - HN LEU 9 2.500% * 0.0562% (0.90 1.0 0.02 0.02) = 0.056% HA GLU- 54 - HN HIS+ 8 2.500% * 0.0558% (0.89 1.0 0.02 0.02) = 0.056% HA SER 49 - HN HIS+ 8 2.500% * 0.0549% (0.88 1.0 0.02 0.02) = 0.055% HA GLU- 18 - HN HIS+ 8 2.500% * 0.0540% (0.87 1.0 0.02 0.02) = 0.054% HA PRO 59 - HN LEU 9 2.500% * 0.0466% (0.75 1.0 0.02 0.51) = 0.047% HA LYS+ 108 - HN LEU 9 2.500% * 0.0443% (0.71 1.0 0.02 0.02) = 0.044% HA PRO 59 - HN HIS+ 8 2.500% * 0.0428% (0.69 1.0 0.02 0.02) = 0.043% HA ALA 42 - HN LEU 9 2.500% * 0.0419% (0.67 1.0 0.02 0.02) = 0.042% HA LYS+ 108 - HN HIS+ 8 2.500% * 0.0406% (0.65 1.0 0.02 0.02) = 0.041% HA LYS+ 110 - HN LEU 9 2.500% * 0.0394% (0.63 1.0 0.02 0.02) = 0.039% HA ALA 42 - HN HIS+ 8 2.500% * 0.0384% (0.62 1.0 0.02 0.02) = 0.038% HB3 SER 49 - HN LEU 9 2.500% * 0.0370% (0.59 1.0 0.02 0.02) = 0.037% HA LYS+ 110 - HN HIS+ 8 2.500% * 0.0362% (0.58 1.0 0.02 0.02) = 0.036% HA HIS+ 4 - HN LEU 9 2.500% * 0.0345% (0.55 1.0 0.02 0.02) = 0.035% HA GLU- 12 - HN LEU 9 2.500% * 0.0345% (0.55 1.0 0.02 0.02) = 0.035% HB3 SER 49 - HN HIS+ 8 2.500% * 0.0339% (0.54 1.0 0.02 0.02) = 0.034% HA HIS+ 4 - HN HIS+ 8 2.500% * 0.0317% (0.51 1.0 0.02 0.02) = 0.032% HA GLU- 12 - HN HIS+ 8 2.500% * 0.0317% (0.51 1.0 0.02 0.02) = 0.032% HA2 GLY 114 - HN LEU 9 2.500% * 0.0273% (0.44 1.0 0.02 0.02) = 0.027% HA VAL 73 - HN LEU 9 2.500% * 0.0254% (0.41 1.0 0.02 0.02) = 0.025% HA2 GLY 114 - HN HIS+ 8 2.500% * 0.0251% (0.40 1.0 0.02 0.02) = 0.025% HA VAL 73 - HN HIS+ 8 2.500% * 0.0233% (0.37 1.0 0.02 0.02) = 0.023% HA ALA 11 - HN LEU 9 2.500% * 0.0229% (0.37 1.0 0.02 0.02) = 0.023% HA ALA 11 - HN HIS+ 8 2.500% * 0.0210% (0.34 1.0 0.02 0.02) = 0.021% HA GLU- 56 - HN LEU 9 2.500% * 0.0208% (0.33 1.0 0.02 0.02) = 0.021% HA GLU- 56 - HN HIS+ 8 2.500% * 0.0191% (0.31 1.0 0.02 0.02) = 0.019% HB3 HIS+ 14 - HN LEU 9 2.500% * 0.0169% (0.27 1.0 0.02 0.02) = 0.017% HB3 HIS+ 14 - HN HIS+ 8 2.500% * 0.0156% (0.25 1.0 0.02 0.02) = 0.016% HA GLU- 109 - HN LEU 9 2.500% * 0.0136% (0.22 1.0 0.02 0.02) = 0.014% HA GLU- 109 - HN HIS+ 8 2.500% * 0.0125% (0.20 1.0 0.02 0.02) = 0.012% HA GLU- 75 - HN LEU 9 2.500% * 0.0107% (0.17 1.0 0.02 0.02) = 0.011% HA GLU- 75 - HN HIS+ 8 2.500% * 0.0098% (0.16 1.0 0.02 0.02) = 0.010% HA LYS+ 44 - HN LEU 9 2.500% * 0.0093% (0.15 1.0 0.02 0.02) = 0.009% HA LYS+ 44 - HN HIS+ 8 2.500% * 0.0086% (0.14 1.0 0.02 0.02) = 0.009% 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): 11 chemical-shift based assignments, quality = 0.691, support = 0.961, residual support = 11.2: HG LEU 74 - HN ILE 19 9.091% * 27.0217% (0.55 1.72 0.92) = 27.022% kept * HG13 ILE 19 - HN ILE 19 9.091% * 21.3467% (1.00 0.75 26.98) = 21.347% kept HB3 LYS+ 20 - HN ILE 19 9.091% * 12.4748% (0.52 0.83 15.62) = 12.475% kept HG3 LYS+ 20 - HN ILE 19 9.091% * 11.7225% (0.89 0.46 15.62) = 11.722% kept QB ALA 91 - HN ILE 19 9.091% * 9.9227% (0.92 0.38 0.02) = 9.923% kept HB2 LYS+ 20 - HN ILE 19 9.091% * 8.9696% (0.25 1.26 15.62) = 8.970% kept HB2 LEU 17 - HN ILE 19 9.091% * 7.2661% (0.64 0.39 0.67) = 7.266% kept HG3 ARG+ 22 - HN ILE 19 9.091% * 0.5680% (0.99 0.02 0.02) = 0.568% HG2 LYS+ 78 - HN ILE 19 9.091% * 0.2771% (0.48 0.02 0.02) = 0.277% QB ALA 11 - HN ILE 19 9.091% * 0.2552% (0.45 0.02 0.02) = 0.255% QG2 THR 39 - HN ILE 19 9.091% * 0.1757% (0.31 0.02 0.02) = 0.176% Peak 268 (9.07, 8.43, 123.73 ppm): 4 chemical-shift based assignments, quality = 0.973, support = 3.24, residual support = 18.4: * T HN GLU- 54 - HN ARG+ 53 25.000% * 98.8322% (0.98 10.00 3.28 18.64) = 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): 28 chemical-shift based assignments, quality = 0.971, support = 3.18, residual support = 10.5: * O HB3 ARG+ 53 - HN ARG+ 53 3.571% * 98.6236% (0.98 10.0 3.23 10.62) = 98.624% kept HB3 GLU- 18 - HN ARG+ 53 3.571% * 0.0986% (0.98 1.0 0.02 0.02) = 0.099% HB3 GLU- 18 - HN CYS 123 3.571% * 0.0978% (0.98 1.0 0.02 0.02) = 0.098% HB3 ARG+ 53 - HN CYS 123 3.571% * 0.0978% (0.98 1.0 0.02 0.02) = 0.098% HB2 ARG+ 84 - HN ARG+ 53 3.571% * 0.0723% (0.72 1.0 0.02 0.02) = 0.072% HB2 ARG+ 84 - HN CYS 123 3.571% * 0.0716% (0.72 1.0 0.02 0.02) = 0.072% HB3 PRO 116 - HN ARG+ 53 3.571% * 0.0684% (0.68 1.0 0.02 0.02) = 0.068% HB3 PRO 116 - HN CYS 123 3.571% * 0.0678% (0.68 1.0 0.02 0.02) = 0.068% HB2 HIS+ 7 - HN ARG+ 53 3.571% * 0.0644% (0.64 1.0 0.02 0.02) = 0.064% HG2 PRO 31 - HN ARG+ 53 3.571% * 0.0644% (0.64 1.0 0.02 0.02) = 0.064% HB2 HIS+ 7 - HN CYS 123 3.571% * 0.0638% (0.64 1.0 0.02 0.02) = 0.064% HG2 PRO 31 - HN CYS 123 3.571% * 0.0638% (0.64 1.0 0.02 0.02) = 0.064% HB VAL 94 - HN ARG+ 53 3.571% * 0.0604% (0.60 1.0 0.02 0.02) = 0.060% HB VAL 94 - HN CYS 123 3.571% * 0.0598% (0.60 1.0 0.02 0.02) = 0.060% HB3 LYS+ 63 - HN ARG+ 53 3.571% * 0.0484% (0.48 1.0 0.02 0.02) = 0.048% HB3 LYS+ 63 - HN CYS 123 3.571% * 0.0480% (0.48 1.0 0.02 0.02) = 0.048% HB3 HIS+ 7 - HN ARG+ 53 3.571% * 0.0339% (0.34 1.0 0.02 0.02) = 0.034% HB3 HIS+ 7 - HN CYS 123 3.571% * 0.0337% (0.34 1.0 0.02 0.02) = 0.034% HB3 LYS+ 113 - HN ARG+ 53 3.571% * 0.0307% (0.31 1.0 0.02 0.02) = 0.031% HB2 LYS+ 117 - HN ARG+ 53 3.571% * 0.0307% (0.31 1.0 0.02 0.02) = 0.031% HB2 LYS+ 117 - HN CYS 123 3.571% * 0.0305% (0.30 1.0 0.02 0.02) = 0.030% HB3 LYS+ 113 - HN CYS 123 3.571% * 0.0305% (0.30 1.0 0.02 0.02) = 0.030% HB3 LYS+ 108 - HN ARG+ 53 3.571% * 0.0277% (0.28 1.0 0.02 0.02) = 0.028% HB3 LYS+ 108 - HN CYS 123 3.571% * 0.0274% (0.27 1.0 0.02 0.02) = 0.027% HB3 LYS+ 117 - HN ARG+ 53 3.571% * 0.0248% (0.25 1.0 0.02 0.02) = 0.025% HB3 LYS+ 117 - HN CYS 123 3.571% * 0.0246% (0.25 1.0 0.02 0.02) = 0.025% HB3 LYS+ 44 - HN ARG+ 53 3.571% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% HB3 LYS+ 44 - HN CYS 123 3.571% * 0.0173% (0.17 1.0 0.02 0.02) = 0.017% Peak 271 (2.23, 8.43, 123.73 ppm): 28 chemical-shift based assignments, quality = 0.959, support = 2.54, residual support = 4.73: * O HB3 PRO 52 - HN ARG+ 53 3.571% * 95.8639% (0.99 10.0 2.61 4.50) = 95.864% kept HG3 GLU- 54 - HN ARG+ 53 3.571% * 2.2273% (0.31 1.0 1.51 18.64) = 2.227% kept HB2 GLU- 50 - HN ARG+ 53 3.571% * 0.3257% (0.83 1.0 0.08 0.02) = 0.326% HB3 PRO 52 - HN CYS 123 3.571% * 0.0950% (0.98 1.0 0.02 0.02) = 0.095% HG3 MET 118 - HN ARG+ 53 3.571% * 0.0940% (0.97 1.0 0.02 0.02) = 0.094% HG3 MET 118 - HN CYS 123 3.571% * 0.0932% (0.97 1.0 0.02 0.02) = 0.093% HG3 GLU- 75 - HN ARG+ 53 3.571% * 0.0885% (0.92 1.0 0.02 0.02) = 0.088% HG3 GLU- 75 - HN CYS 123 3.571% * 0.0877% (0.91 1.0 0.02 0.02) = 0.088% HG3 GLU- 18 - HN ARG+ 53 3.571% * 0.0860% (0.89 1.0 0.02 0.02) = 0.086% HG3 GLU- 18 - HN CYS 123 3.571% * 0.0852% (0.88 1.0 0.02 0.02) = 0.085% HG3 GLU- 107 - HN ARG+ 53 3.571% * 0.0832% (0.86 1.0 0.02 0.02) = 0.083% HG3 GLU- 107 - HN CYS 123 3.571% * 0.0824% (0.85 1.0 0.02 0.02) = 0.082% HB2 GLU- 50 - HN CYS 123 3.571% * 0.0794% (0.82 1.0 0.02 0.02) = 0.079% HG3 GLU- 109 - HN ARG+ 53 3.571% * 0.0696% (0.72 1.0 0.02 0.02) = 0.070% HG3 GLU- 109 - HN CYS 123 3.571% * 0.0690% (0.72 1.0 0.02 0.02) = 0.069% HG3 GLU- 10 - HN ARG+ 53 3.571% * 0.0658% (0.68 1.0 0.02 0.02) = 0.066% HG3 GLU- 10 - HN CYS 123 3.571% * 0.0653% (0.68 1.0 0.02 0.02) = 0.065% HG3 MET 126 - HN ARG+ 53 3.571% * 0.0620% (0.64 1.0 0.02 0.02) = 0.062% HG2 GLU- 56 - HN ARG+ 53 3.571% * 0.0620% (0.64 1.0 0.02 0.02) = 0.062% HG3 MET 126 - HN CYS 123 3.571% * 0.0615% (0.64 1.0 0.02 0.02) = 0.061% HG2 GLU- 56 - HN CYS 123 3.571% * 0.0615% (0.64 1.0 0.02 0.02) = 0.061% HA1 GLY 58 - HN ARG+ 53 3.571% * 0.0359% (0.37 1.0 0.02 0.02) = 0.036% HA1 GLY 58 - HN CYS 123 3.571% * 0.0356% (0.37 1.0 0.02 0.02) = 0.036% HG3 GLU- 54 - HN CYS 123 3.571% * 0.0293% (0.30 1.0 0.02 0.02) = 0.029% HB VAL 80 - HN ARG+ 53 3.571% * 0.0267% (0.28 1.0 0.02 0.02) = 0.027% HB VAL 80 - HN CYS 123 3.571% * 0.0264% (0.27 1.0 0.02 0.02) = 0.026% HB2 LYS+ 113 - HN ARG+ 53 3.571% * 0.0190% (0.20 1.0 0.02 0.02) = 0.019% HB2 LYS+ 113 - HN CYS 123 3.571% * 0.0188% (0.19 1.0 0.02 0.02) = 0.019% Peak 272 (1.70, 8.34, 123.66 ppm): 4 chemical-shift based assignments, quality = 0.215, support = 0.02, residual support = 0.02: HB2 GLN 16 - HN ASN 76 25.000% * 33.7376% (0.28 0.02 0.02) = 33.738% kept HB ILE 48 - HN ASN 76 25.000% * 23.3815% (0.19 0.02 0.02) = 23.382% kept HB VAL 99 - HN ASN 76 25.000% * 21.4404% (0.18 0.02 0.02) = 21.440% kept HD3 LYS+ 55 - HN ASN 76 25.000% * 21.4404% (0.18 0.02 0.02) = 21.440% kept Not enough support, support cutoff is 0.22 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): 9 chemical-shift based assignments, quality = 0.947, support = 2.17, residual support = 3.62: * O HA LYS+ 66 - HN LEU 67 11.111% * 92.7100% (0.97 10.0 2.25 3.83) = 92.710% kept HA ASN 89 - HN LEU 67 11.111% * 5.1401% (0.72 1.0 1.49 1.34) = 5.140% kept HA VAL 73 - HN LEU 67 11.111% * 1.7427% (0.89 1.0 0.41 0.02) = 1.743% kept HA HIS+ 14 - HN LEU 67 11.111% * 0.0952% (0.99 1.0 0.02 0.02) = 0.095% HA THR 24 - HN LEU 67 11.111% * 0.0942% (0.98 1.0 0.02 0.02) = 0.094% HA CYS 121 - HN LEU 67 11.111% * 0.0909% (0.95 1.0 0.02 0.02) = 0.091% HA LYS+ 111 - HN LEU 67 11.111% * 0.0505% (0.53 1.0 0.02 0.02) = 0.051% HB THR 24 - HN LEU 67 11.111% * 0.0468% (0.49 1.0 0.02 0.02) = 0.047% HA SER 88 - HN LEU 67 11.111% * 0.0297% (0.31 1.0 0.02 0.02) = 0.030% Peak 275 (1.17, 8.24, 123.72 ppm): 6 chemical-shift based assignments, quality = 0.898, support = 2.72, residual support = 19.3: HG LEU 74 - HN LEU 67 16.667% * 42.2290% (0.98 3.57 26.34) = 42.229% kept * HB3 LYS+ 66 - HN LEU 67 16.667% * 24.0086% (1.00 1.98 3.83) = 24.009% kept HB ILE 68 - HN LEU 67 16.667% * 22.5558% (0.65 2.88 20.60) = 22.556% kept HB2 LEU 74 - HN LEU 67 16.667% * 10.0667% (1.00 0.83 26.34) = 10.067% kept QG2 THR 106 - HN LEU 67 16.667% * 0.9733% (0.97 0.08 0.13) = 0.973% HG3 PRO 59 - HN LEU 67 16.667% * 0.1666% (0.69 0.02 0.02) = 0.167% Peak 276 (1.46, 8.24, 123.72 ppm): 5 chemical-shift based assignments, quality = 0.946, support = 3.3, residual support = 28.1: O HB3 LEU 67 - HN LEU 67 20.000% * 95.1051% (0.98 10.0 3.29 28.16) = 95.105% kept HG LEU 74 - HN LEU 67 20.000% * 4.8091% (0.28 1.0 3.57 26.34) = 4.809% kept QB ALA 70 - HN LEU 67 20.000% * 0.0472% (0.49 1.0 0.02 0.02) = 0.047% HG LEU 90 - HN LEU 67 20.000% * 0.0216% (0.22 1.0 0.02 0.02) = 0.022% HB3 LYS+ 60 - HN LEU 67 20.000% * 0.0170% (0.18 1.0 0.02 0.02) = 0.017% Peak 277 (0.76, 8.24, 123.72 ppm): 7 chemical-shift based assignments, quality = 0.345, support = 2.96, residual support = 14.4: * HG3 LYS+ 66 - HN LEU 67 14.286% * 43.0391% (0.53 2.34 3.83) = 43.039% kept QD1 ILE 68 - HN LEU 67 14.286% * 28.1282% (0.22 3.61 20.60) = 28.128% kept HG LEU 74 - HN LEU 67 14.286% * 26.4621% (0.21 3.57 26.34) = 26.462% kept QD1 LEU 9 - HN LEU 67 14.286% * 0.9927% (0.38 0.08 0.02) = 0.993% HG3 LYS+ 44 - HN LEU 67 14.286% * 0.6866% (0.98 0.02 0.02) = 0.687% HG12 ILE 100 - HN LEU 67 14.286% * 0.5354% (0.76 0.02 0.02) = 0.535% QD2 LEU 9 - HN LEU 67 14.286% * 0.1560% (0.22 0.02 0.02) = 0.156% Peak 278 (0.90, 8.24, 123.72 ppm): 13 chemical-shift based assignments, quality = 0.874, support = 3.01, residual support = 21.8: HG13 ILE 68 - HN LEU 67 7.692% * 35.4929% (1.00 3.45 20.60) = 35.493% kept QD1 LEU 67 - HN LEU 67 7.692% * 31.9245% (1.00 3.11 28.16) = 31.925% kept HG LEU 74 - HN LEU 67 7.692% * 20.9879% (0.57 3.57 26.34) = 20.988% kept QG2 VAL 73 - HN LEU 67 7.692% * 3.8860% (0.57 0.67 0.02) = 3.886% kept QG1 VAL 47 - HN LEU 67 7.692% * 3.0110% (0.98 0.30 0.02) = 3.011% kept QG2 VAL 105 - HN LEU 67 7.692% * 2.6152% (0.97 0.26 0.02) = 2.615% kept QG2 VAL 47 - HN LEU 67 7.692% * 1.4137% (0.34 0.40 0.02) = 1.414% kept QG2 VAL 87 - HN LEU 67 7.692% * 0.2060% (1.00 0.02 0.02) = 0.206% QG1 VAL 80 - HN LEU 67 7.692% * 0.1333% (0.65 0.02 0.02) = 0.133% QG2 VAL 99 - HN LEU 67 7.692% * 0.1084% (0.53 0.02 0.02) = 0.108% QG1 VAL 122 - HN LEU 67 7.692% * 0.1003% (0.49 0.02 0.02) = 0.100% QG2 VAL 125 - HN LEU 67 7.692% * 0.0636% (0.31 0.02 0.02) = 0.064% QG1 VAL 40 - HN LEU 67 7.692% * 0.0573% (0.28 0.02 0.02) = 0.057% Peak 279 (1.07, 8.24, 123.72 ppm): 3 chemical-shift based assignments, quality = 0.957, support = 3.55, residual support = 26.2: HG LEU 74 - HN LEU 67 33.333% * 99.4138% (0.96 3.57 26.34) = 99.414% kept QG2 THR 95 - HN LEU 67 33.333% * 0.4420% (0.76 0.02 0.02) = 0.442% QG2 THR 79 - HN LEU 67 33.333% * 0.1442% (0.25 0.02 0.02) = 0.144% Peak 280 (5.55, 8.24, 123.72 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.72, residual support = 28.2: * O HA LEU 67 - HN LEU 67 100.000% *100.0000% (1.00 10.0 3.72 28.16) = 100.000% kept Peak 281 (2.03, 8.24, 123.72 ppm): 18 chemical-shift based assignments, quality = 0.676, support = 0.185, residual support = 0.02: HB3 GLU- 75 - HN LEU 67 5.556% * 35.5476% (0.49 0.41 0.02) = 35.548% kept HB3 GLU- 45 - HN LEU 67 5.556% * 21.1616% (0.99 0.12 0.02) = 21.162% kept HB2 GLU- 45 - HN LEU 67 5.556% * 6.5898% (0.31 0.12 0.02) = 6.590% kept HB2 LYS+ 44 - HN LEU 67 5.556% * 3.4664% (0.97 0.02 0.02) = 3.466% kept HB3 PRO 31 - HN LEU 67 5.556% * 3.4664% (0.97 0.02 0.02) = 3.466% kept HB3 GLU- 107 - HN LEU 67 5.556% * 3.3157% (0.92 0.02 0.02) = 3.316% kept HB2 PRO 112 - HN LEU 67 5.556% * 3.2213% (0.90 0.02 0.02) = 3.221% kept HB3 PRO 112 - HN LEU 67 5.556% * 3.0001% (0.84 0.02 0.02) = 3.000% kept HG2 PRO 116 - HN LEU 67 5.556% * 2.8761% (0.80 0.02 0.02) = 2.876% kept HB3 LYS+ 110 - HN LEU 67 5.556% * 2.8761% (0.80 0.02 0.02) = 2.876% kept HG2 GLU- 64 - HN LEU 67 5.556% * 2.3236% (0.65 0.02 0.02) = 2.324% kept HB VAL 62 - HN LEU 67 5.556% * 2.0335% (0.57 0.02 0.02) = 2.034% kept HB2 GLU- 18 - HN LEU 67 5.556% * 2.0335% (0.57 0.02 0.02) = 2.034% kept HG3 PRO 86 - HN LEU 67 5.556% * 2.0335% (0.57 0.02 0.02) = 2.034% kept HB VAL 105 - HN LEU 67 5.556% * 1.7483% (0.49 0.02 0.02) = 1.748% kept HB2 HIS+ 14 - HN LEU 67 5.556% * 1.6103% (0.45 0.02 0.02) = 1.610% kept HB3 GLU- 10 - HN LEU 67 5.556% * 1.3481% (0.38 0.02 0.02) = 1.348% kept HG2 PRO 86 - HN LEU 67 5.556% * 1.3481% (0.38 0.02 0.02) = 1.348% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 282 (4.23, 8.33, 123.42 ppm): 20 chemical-shift based assignments, quality = 0.566, support = 0.147, residual support = 0.0195: HA LYS+ 108 - HN ASN 76 5.000% * 28.0849% (0.42 0.32 0.02) = 28.085% kept HA ASN 89 - HN ASN 76 5.000% * 24.2128% (0.73 0.16 0.02) = 24.213% kept HA LYS+ 110 - HN ASN 76 5.000% * 11.5636% (0.66 0.08 0.02) = 11.564% kept HA GLU- 109 - HN ASN 76 5.000% * 4.6924% (0.30 0.08 0.02) = 4.692% kept HA GLU- 18 - HN ASN 76 5.000% * 3.3222% (0.79 0.02 0.02) = 3.322% kept HA SER 49 - HN ASN 76 5.000% * 3.3001% (0.79 0.02 0.02) = 3.300% kept HA GLU- 54 - HN ASN 76 5.000% * 3.2132% (0.77 0.02 0.02) = 3.213% kept HA HIS+ 8 - HN ASN 76 5.000% * 2.9860% (0.71 0.02 0.02) = 2.986% kept HA ALA 42 - HN ASN 76 5.000% * 2.8881% (0.69 0.02 0.02) = 2.888% kept HB3 SER 49 - HN ASN 76 5.000% * 2.6661% (0.64 0.02 0.02) = 2.666% kept HA GLU- 12 - HN ASN 76 5.000% * 2.5445% (0.61 0.02 0.02) = 2.545% kept HA PRO 59 - HN ASN 76 5.000% * 1.8850% (0.45 0.02 0.02) = 1.885% kept HA ALA 11 - HN ASN 76 5.000% * 1.8850% (0.45 0.02 0.02) = 1.885% kept HB3 HIS+ 14 - HN ASN 76 5.000% * 1.4927% (0.36 0.02 0.02) = 1.493% kept HA VAL 73 - HN ASN 76 5.000% * 1.2970% (0.31 0.02 0.02) = 1.297% kept HA HIS+ 4 - HN ASN 76 5.000% * 1.2496% (0.30 0.02 0.02) = 1.250% kept HA2 GLY 114 - HN ASN 76 5.000% * 0.9257% (0.22 0.02 0.02) = 0.926% HA GLU- 56 - HN ASN 76 5.000% * 0.6589% (0.16 0.02 0.02) = 0.659% HA ASP- 82 - HN ASN 76 5.000% * 0.5831% (0.14 0.02 0.02) = 0.583% HA LYS+ 44 - HN ASN 76 5.000% * 0.5488% (0.13 0.02 0.02) = 0.549% Not enough support, support cutoff is 0.22 Peak unassigned. Peak 283 (1.96, 8.33, 123.42 ppm): 11 chemical-shift based assignments, quality = 0.66, support = 0.264, residual support = 0.0459: HB3 GLU- 109 - HN ASN 76 9.091% * 36.8396% (0.78 0.34 0.02) = 36.840% kept HG3 PRO 116 - HN ASN 76 9.091% * 29.1165% (0.71 0.29 0.02) = 29.117% kept * HB2 GLU- 75 - HN ASN 76 9.091% * 12.7678% (0.30 0.31 0.22) = 12.768% kept HB VAL 13 - HN ASN 76 9.091% * 11.1062% (0.73 0.11 0.02) = 11.106% kept HB2 LYS+ 108 - HN ASN 76 9.091% * 2.8534% (0.24 0.08 0.02) = 2.853% kept HB VAL 122 - HN ASN 76 9.091% * 2.1457% (0.77 0.02 0.02) = 2.146% kept HG3 PRO 104 - HN ASN 76 9.091% * 1.7804% (0.64 0.02 0.02) = 1.780% kept HG3 PRO 31 - HN ASN 76 9.091% * 1.3486% (0.48 0.02 0.02) = 1.349% kept HB3 LYS+ 55 - HN ASN 76 9.091% * 1.2588% (0.45 0.02 0.02) = 1.259% kept HG2 PRO 112 - HN ASN 76 9.091% * 0.4400% (0.16 0.02 0.02) = 0.440% HB2 PRO 116 - HN ASN 76 9.091% * 0.3431% (0.12 0.02 0.02) = 0.343% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 284 (4.43, 8.03, 123.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 285 (2.93, 8.03, 123.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 286 (0.90, 8.12, 123.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 287 (8.11, 8.12, 123.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 288 (1.98, 8.12, 123.18 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 289 (7.80, 7.80, 123.35 ppm): 1 diagonal assignment: * HN ALA 93 - HN ALA 93 (0.96) kept Peak 290 (1.37, 7.80, 123.35 ppm): 10 chemical-shift based assignments, quality = 0.756, support = 1.28, residual support = 0.351: QB ALA 91 - HN ALA 93 10.000% * 27.2895% (0.72 1.96 0.55) = 27.290% kept HB3 LYS+ 20 - HN ALA 93 10.000% * 27.1275% (0.99 1.42 0.36) = 27.127% kept HB2 LYS+ 20 - HN ALA 93 10.000% * 15.7246% (0.89 0.91 0.36) = 15.725% kept HG LEU 74 - HN ALA 93 10.000% * 7.2305% (0.50 0.75 0.02) = 7.231% kept HD3 LYS+ 20 - HN ALA 93 10.000% * 6.8079% (0.37 0.94 0.36) = 6.808% kept HG3 LYS+ 20 - HN ALA 93 10.000% * 5.3380% (0.25 1.11 0.36) = 5.338% kept HG13 ILE 19 - HN ALA 93 10.000% * 5.2610% (0.48 0.56 0.02) = 5.261% kept HG2 LYS+ 78 - HN ALA 93 10.000% * 2.9082% (1.00 0.15 0.02) = 2.908% kept QG2 THR 39 - HN ALA 93 10.000% * 2.1107% (0.94 0.12 0.02) = 2.111% kept HG3 ARG+ 22 - HN ALA 93 10.000% * 0.2021% (0.52 0.02 0.02) = 0.202% Peak 291 (4.30, 7.80, 123.35 ppm): 7 chemical-shift based assignments, quality = 0.77, support = 1.38, residual support = 1.23: HA ASN 89 - HN ALA 93 14.286% * 50.3618% (0.85 1.77 2.33) = 50.362% kept HA LEU 90 - HN ALA 93 14.286% * 26.9822% (0.64 1.25 0.20) = 26.982% kept HA VAL 73 - HN ALA 93 14.286% * 20.5920% (0.82 0.75 0.02) = 20.592% kept HA PRO 104 - HN ALA 93 14.286% * 0.6625% (0.99 0.02 0.02) = 0.662% HA ILE 29 - HN ALA 93 14.286% * 0.6170% (0.92 0.02 0.02) = 0.617% HA PRO 112 - HN ALA 93 14.286% * 0.4591% (0.68 0.02 0.02) = 0.459% HA THR 106 - HN ALA 93 14.286% * 0.3254% (0.48 0.02 0.02) = 0.325% Peak 292 (8.46, 7.80, 123.35 ppm): 6 chemical-shift based assignments, quality = 0.91, support = 2.83, residual support = 12.7: * T HN GLY 92 - HN ALA 93 16.667% * 97.8127% (0.92 10.00 2.89 12.94) = 97.813% kept HN LYS+ 113 - HN ALA 93 16.667% * 1.1559% (0.96 1.00 0.23 0.02) = 1.156% kept HN LEU 74 - HN ALA 93 16.667% * 0.8412% (0.64 1.00 0.25 0.02) = 0.841% HN GLU- 107 - HN ALA 93 16.667% * 0.1060% (1.00 1.00 0.02 0.02) = 0.106% HN GLU- 18 - HN ALA 93 16.667% * 0.0516% (0.48 1.00 0.02 0.02) = 0.052% HN GLU- 10 - HN ALA 93 16.667% * 0.0327% (0.31 1.00 0.02 0.02) = 0.033% Peak 293 (3.96, 7.80, 123.35 ppm): 9 chemical-shift based assignments, quality = 0.79, support = 1.43, residual support = 3.92: * O HA ALA 93 - HN ALA 93 11.111% * 57.9122% (1.00 10.0 1.00 0.59) = 57.912% kept O HA1 GLY 92 - HN ALA 93 11.111% * 25.7865% (0.22 10.0 2.36 12.94) = 25.787% kept HA ASN 89 - HN ALA 93 11.111% * 9.9885% (0.97 1.0 1.77 2.33) = 9.989% kept HA LYS+ 44 - HN ALA 93 11.111% * 6.0648% (0.98 1.0 1.07 0.19) = 6.065% kept HB3 SER 77 - HN ALA 93 11.111% * 0.1109% (0.95 1.0 0.02 0.02) = 0.111% HA1 GLY 114 - HN ALA 93 11.111% * 0.0749% (0.64 1.0 0.02 0.02) = 0.075% HB THR 95 - HN ALA 93 11.111% * 0.0258% (0.22 1.0 0.02 0.02) = 0.026% HA VAL 122 - HN ALA 93 11.111% * 0.0203% (0.17 1.0 0.02 0.02) = 0.020% HA ILE 48 - HN ALA 93 11.111% * 0.0161% (0.14 1.0 0.02 0.02) = 0.016% Peak 294 (3.81, 7.80, 123.35 ppm): 9 chemical-shift based assignments, quality = 0.642, support = 2.17, residual support = 10.7: O HA2 GLY 92 - HN ALA 93 11.111% * 80.9084% (0.60 10.0 2.36 12.94) = 80.908% kept HA ASN 89 - HN ALA 93 11.111% * 10.0891% (0.85 1.0 1.77 2.33) = 10.089% kept HA GLU- 45 - HN ALA 93 11.111% * 5.6489% (0.99 1.0 0.85 0.64) = 5.649% kept HA LYS+ 44 - HN ALA 93 11.111% * 2.8459% (0.40 1.0 1.07 0.19) = 2.846% kept HB3 SER 41 - HN ALA 93 11.111% * 0.1322% (0.99 1.0 0.02 0.02) = 0.132% HD3 PRO 112 - HN ALA 93 11.111% * 0.1196% (0.89 1.0 0.02 0.02) = 0.120% HD3 PRO 116 - HN ALA 93 11.111% * 0.1068% (0.80 1.0 0.02 0.02) = 0.107% HA ILE 48 - HN ALA 93 11.111% * 0.0891% (0.66 1.0 0.02 0.02) = 0.089% HA VAL 13 - HN ALA 93 11.111% * 0.0598% (0.45 1.0 0.02 0.02) = 0.060% Peak 295 (8.23, 7.80, 123.35 ppm): 12 chemical-shift based assignments, quality = 0.706, support = 1.43, residual support = 0.757: T HN GLU- 45 - HN ALA 93 8.333% * 52.1639% (0.60 10.00 0.54 0.64) = 52.164% kept * HN VAL 94 - HN ALA 93 8.333% * 39.5556% (0.86 1.00 2.85 1.07) = 39.556% kept HN ALA 11 - HN ALA 93 8.333% * 3.9476% (0.68 1.00 0.36 0.02) = 3.948% kept HN VAL 105 - HN ALA 93 8.333% * 2.8035% (0.83 1.00 0.21 0.02) = 2.804% kept HN SER 49 - HN ALA 93 8.333% * 0.2949% (0.92 1.00 0.02 0.02) = 0.295% HN GLY 58 - HN ALA 93 8.333% * 0.2558% (0.80 1.00 0.02 0.02) = 0.256% HN MET 118 - HN ALA 93 8.333% * 0.2320% (0.72 1.00 0.02 0.02) = 0.232% HN LEU 67 - HN ALA 93 8.333% * 0.2194% (0.68 1.00 0.02 0.02) = 0.219% HN LYS+ 81 - HN ALA 93 8.333% * 0.2194% (0.68 1.00 0.02 0.02) = 0.219% HN GLU- 12 - HN ALA 93 8.333% * 0.1809% (0.56 1.00 0.02 0.02) = 0.181% HN LYS+ 117 - HN ALA 93 8.333% * 0.0711% (0.22 1.00 0.02 0.02) = 0.071% HN THR 106 - HN ALA 93 8.333% * 0.0559% (0.17 1.00 0.02 0.02) = 0.056% Peak 296 (4.20, 7.80, 123.35 ppm): 13 chemical-shift based assignments, quality = 0.756, support = 1.51, residual support = 1.77: HA ASN 89 - HN ALA 93 7.692% * 74.6400% (0.95 1.77 2.33) = 74.640% kept HA LYS+ 44 - HN ALA 93 7.692% * 12.3216% (0.26 1.07 0.19) = 12.322% kept HA VAL 73 - HN ALA 93 7.692% * 7.8387% (0.23 0.75 0.02) = 7.839% kept HA GLU- 64 - HN ALA 93 7.692% * 0.8812% (0.99 0.02 0.02) = 0.881% HA ASP- 82 - HN ALA 93 7.692% * 0.8410% (0.94 0.02 0.02) = 0.841% HA MET 126 - HN ALA 93 7.692% * 0.7426% (0.83 0.02 0.02) = 0.743% HA GLU- 109 - HN ALA 93 7.692% * 0.6456% (0.72 0.02 0.02) = 0.646% HB3 HIS+ 14 - HN ALA 93 7.692% * 0.5751% (0.64 0.02 0.02) = 0.575% HA ALA 11 - HN ALA 93 7.692% * 0.4677% (0.52 0.02 0.02) = 0.468% HA GLU- 12 - HN ALA 93 7.692% * 0.3033% (0.34 0.02 0.02) = 0.303% HB3 SER 49 - HN ALA 93 7.692% * 0.2744% (0.31 0.02 0.02) = 0.274% HA LYS+ 110 - HN ALA 93 7.692% * 0.2472% (0.28 0.02 0.02) = 0.247% HA ALA 42 - HN ALA 93 7.692% * 0.2217% (0.25 0.02 0.02) = 0.222% 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 = 4.17, residual support = 11.9: * T HN SER 77 - HN LYS+ 78 33.333% * 99.7641% (0.90 10.00 4.18 11.93) = 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 = 5.35, residual support = 28.4: O HB2 LYS+ 78 - HN LYS+ 78 33.333% * 99.8399% (0.92 10.0 5.36 28.44) = 99.840% kept HB3 ASP- 28 - HN LYS+ 78 33.333% * 0.0922% (0.85 1.0 0.02 0.28) = 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): 8 chemical-shift based assignments, quality = 0.888, support = 4.05, residual support = 27.6: * O HA LYS+ 78 - HN LYS+ 78 12.500% * 93.2639% (0.92 10.0 4.20 28.44) = 93.264% kept HA THR 79 - HN LYS+ 78 12.500% * 4.7148% (0.38 1.0 2.46 21.93) = 4.715% kept HA ASN 89 - HN LYS+ 78 12.500% * 1.8120% (0.52 1.0 0.69 0.02) = 1.812% kept HA GLU- 10 - HN LYS+ 78 12.500% * 0.0713% (0.71 1.0 0.02 0.02) = 0.071% HA LEU 17 - HN LYS+ 78 12.500% * 0.0418% (0.41 1.0 0.02 0.02) = 0.042% HB THR 46 - HN LYS+ 78 12.500% * 0.0350% (0.35 1.0 0.02 0.02) = 0.035% HA LYS+ 55 - HN LYS+ 78 12.500% * 0.0350% (0.35 1.0 0.02 0.02) = 0.035% HA VAL 73 - HN LYS+ 78 12.500% * 0.0263% (0.26 1.0 0.02 0.02) = 0.026% Peak 301 (1.62, 7.59, 122.90 ppm): 10 chemical-shift based assignments, quality = 0.886, support = 3.82, residual support = 27.6: * HG3 LYS+ 78 - HN LYS+ 78 10.000% * 96.8784% (0.91 3.94 28.44) = 96.878% kept HB2 LEU 67 - HN LYS+ 78 10.000% * 0.4577% (0.85 0.02 0.02) = 0.458% HG12 ILE 101 - HN LYS+ 78 10.000% * 0.4577% (0.85 0.02 0.02) = 0.458% HB ILE 100 - HN LYS+ 78 10.000% * 0.4577% (0.85 0.02 0.02) = 0.458% HG LEU 23 - HN LYS+ 78 10.000% * 0.4301% (0.80 0.02 0.02) = 0.430% HG2 LYS+ 110 - HN LYS+ 78 10.000% * 0.3789% (0.71 0.02 0.02) = 0.379% HG3 LYS+ 110 - HN LYS+ 78 10.000% * 0.3600% (0.67 0.02 0.02) = 0.360% HB3 LEU 17 - HN LYS+ 78 10.000% * 0.2807% (0.52 0.02 0.02) = 0.281% HD3 LYS+ 32 - HN LYS+ 78 10.000% * 0.2223% (0.41 0.02 0.02) = 0.222% HB3 ARG+ 22 - HN LYS+ 78 10.000% * 0.0765% (0.14 0.02 0.02) = 0.077% Peak 302 (2.15, 7.59, 122.90 ppm): 12 chemical-shift based assignments, quality = 0.842, support = 4.7, residual support = 27.6: * O HB3 LYS+ 78 - HN LYS+ 78 8.333% * 97.1323% (0.85 10.0 4.83 28.44) = 97.132% kept HG2 PRO 104 - HN LYS+ 78 8.333% * 1.8998% (0.74 1.0 0.45 0.02) = 1.900% kept HB2 ASP- 82 - HN LYS+ 78 8.333% * 0.5694% (0.28 1.0 0.35 0.02) = 0.569% HG3 GLN 102 - HN LYS+ 78 8.333% * 0.0723% (0.63 1.0 0.02 0.02) = 0.072% HB3 GLU- 75 - HN LYS+ 78 8.333% * 0.0622% (0.55 1.0 0.02 0.02) = 0.062% HG3 GLN 16 - HN LYS+ 78 8.333% * 0.0596% (0.52 1.0 0.02 0.02) = 0.060% HB2 ASP- 28 - HN LYS+ 78 8.333% * 0.0512% (0.45 1.0 0.02 0.28) = 0.051% HB VAL 47 - HN LYS+ 78 8.333% * 0.0512% (0.45 1.0 0.02 0.02) = 0.051% HG2 GLN 102 - HN LYS+ 78 8.333% * 0.0359% (0.31 1.0 0.02 0.02) = 0.036% HA1 GLY 58 - HN LYS+ 78 8.333% * 0.0270% (0.24 1.0 0.02 0.02) = 0.027% HG2 GLN 16 - HN LYS+ 78 8.333% * 0.0208% (0.18 1.0 0.02 0.02) = 0.021% HB3 PRO 104 - HN LYS+ 78 8.333% * 0.0184% (0.16 1.0 0.02 0.02) = 0.018% Peak 303 (1.37, 7.59, 122.90 ppm): 11 chemical-shift based assignments, quality = 0.878, support = 4.04, residual support = 26.8: HG2 LYS+ 78 - HN LYS+ 78 9.091% * 94.3348% (0.90 4.28 28.44) = 94.335% kept QG2 THR 39 - HN LYS+ 78 9.091% * 2.4126% (0.80 0.12 0.02) = 2.413% kept HG LEU 74 - HN LYS+ 78 9.091% * 1.1578% (0.47 0.10 0.02) = 1.158% kept HB3 LYS+ 20 - HN LYS+ 78 9.091% * 0.4461% (0.91 0.02 0.02) = 0.446% QB ALA 91 - HN LYS+ 78 9.091% * 0.3760% (0.77 0.02 0.02) = 0.376% HB2 LYS+ 20 - HN LYS+ 78 9.091% * 0.3604% (0.74 0.02 0.02) = 0.360% HG3 ARG+ 22 - HN LYS+ 78 9.091% * 0.2912% (0.60 0.02 0.02) = 0.291% HG13 ILE 19 - HN LYS+ 78 9.091% * 0.2730% (0.56 0.02 0.02) = 0.273% HG3 LYS+ 20 - HN LYS+ 78 9.091% * 0.1535% (0.31 0.02 0.02) = 0.154% HD3 LYS+ 20 - HN LYS+ 78 9.091% * 0.1252% (0.26 0.02 0.02) = 0.125% HB2 LEU 17 - HN LYS+ 78 9.091% * 0.0695% (0.14 0.02 0.02) = 0.069% Peak 304 (6.73, 7.59, 122.90 ppm): 2 chemical-shift based assignments, quality = 0.824, support = 1.08, residual support = 2.97: QE TYR 83 - HN LYS+ 78 50.000% * 98.9402% (0.83 1.10 3.00) = 98.940% kept HZ3 TRP 51 - HN LYS+ 78 50.000% * 1.0598% (0.49 0.02 0.02) = 1.060% kept Peak 305 (4.76, 8.28, 122.94 ppm): 9 chemical-shift based assignments, quality = 0.0464, support = 0.933, residual support = 1.72: O HA HIS+ 7 - HN HIS+ 7 11.111% * 90.9222% (0.04 10.0 1.00 1.89) = 90.922% kept HA HIS+ 5 - HN HIS+ 7 11.111% * 7.2709% (0.10 1.0 0.33 0.02) = 7.271% kept HA VAL 40 - HN HIS+ 7 11.111% * 0.4781% (0.11 1.0 0.02 0.02) = 0.478% HA MET 118 - HN HIS+ 7 11.111% * 0.4453% (0.10 1.0 0.02 0.02) = 0.445% HA ASP- 115 - HN HIS+ 7 11.111% * 0.2595% (0.06 1.0 0.02 0.02) = 0.259% HA ASN 15 - HN HIS+ 7 11.111% * 0.2001% (0.05 1.0 0.02 0.02) = 0.200% HA PRO 116 - HN HIS+ 7 11.111% * 0.1818% (0.04 1.0 0.02 0.02) = 0.182% HA ASN 89 - HN HIS+ 7 11.111% * 0.1488% (0.03 1.0 0.02 0.02) = 0.149% HA LYS+ 113 - HN HIS+ 7 11.111% * 0.0934% (0.02 1.0 0.02 0.19) = 0.093% Not enough quality. Peak unassigned. Peak 306 (4.27, 8.28, 122.94 ppm): 17 chemical-shift based assignments, quality = 0.0656, support = 0.215, residual support = 1.65: HA LYS+ 108 - HN HIS+ 7 5.882% * 20.5233% (0.06 0.23 0.71) = 20.523% kept HA HIS+ 8 - HN HIS+ 7 5.882% * 19.9515% (0.02 0.66 7.48) = 19.952% kept HA THR 106 - HN HIS+ 7 5.882% * 12.6532% (0.05 0.17 0.02) = 12.653% kept HA LEU 90 - HN HIS+ 7 5.882% * 6.0027% (0.03 0.12 0.02) = 6.003% kept HA GLU- 75 - HN HIS+ 7 5.882% * 3.8680% (0.12 0.02 0.02) = 3.868% kept HA ARG+ 84 - HN HIS+ 7 5.882% * 3.7329% (0.12 0.02 0.02) = 3.733% kept HA VAL 65 - HN HIS+ 7 5.882% * 3.6428% (0.12 0.02 0.02) = 3.643% kept HA ASN 89 - HN HIS+ 7 5.882% * 3.5252% (0.11 0.02 0.02) = 3.525% kept HA PRO 52 - HN HIS+ 7 5.882% * 3.4230% (0.11 0.02 0.02) = 3.423% kept HA SER 85 - HN HIS+ 7 5.882% * 3.4230% (0.11 0.02 0.02) = 3.423% kept HD3 PRO 59 - HN HIS+ 7 5.882% * 3.4230% (0.11 0.02 0.02) = 3.423% kept HA GLU- 56 - HN HIS+ 7 5.882% * 3.2961% (0.10 0.02 0.02) = 3.296% kept HA ALA 91 - HN HIS+ 7 5.882% * 3.2961% (0.10 0.02 0.02) = 3.296% kept HA2 GLY 114 - HN HIS+ 7 5.882% * 2.8655% (0.09 0.02 0.02) = 2.866% kept HA HIS+ 4 - HN HIS+ 7 5.882% * 2.3935% (0.08 0.02 0.02) = 2.393% kept HA VAL 73 - HN HIS+ 7 5.882% * 2.3578% (0.07 0.02 0.02) = 2.358% kept HA PRO 59 - HN HIS+ 7 5.882% * 1.6223% (0.05 0.02 0.02) = 1.622% kept Not enough support, support cutoff is 0.22 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): 6 chemical-shift based assignments, quality = 0.58, support = 0.738, residual support = 0.206: HA2 GLY 30 - HN PHE 21 16.667% * 44.1001% (0.76 0.79 0.30) = 44.100% kept HA PRO 31 - HN PHE 21 16.667% * 31.4274% (0.45 0.96 0.22) = 31.427% kept HA ASN 89 - HN PHE 21 16.667% * 12.8081% (0.34 0.52 0.02) = 12.808% kept HA THR 61 - HN PHE 21 16.667% * 7.4357% (0.53 0.19 0.02) = 7.436% kept HA GLN 16 - HN PHE 21 16.667% * 3.6314% (0.57 0.09 0.02) = 3.631% kept HA ASN 119 - HN PHE 21 16.667% * 0.5973% (0.41 0.02 0.02) = 0.597% Peak 313 (1.35, 8.94, 123.00 ppm): 9 chemical-shift based assignments, quality = 0.744, support = 1.92, residual support = 4.4: * HG3 LYS+ 20 - HN PHE 21 11.111% * 38.5406% (0.96 2.29 5.20) = 38.541% kept HG LEU 74 - HN PHE 21 11.111% * 20.8312% (0.58 2.05 4.65) = 20.831% kept HG3 ARG+ 22 - HN PHE 21 11.111% * 15.8500% (0.73 1.25 5.56) = 15.850% kept HB3 LYS+ 20 - HN PHE 21 11.111% * 10.0366% (0.17 3.29 5.20) = 10.037% kept HG13 ILE 19 - HN PHE 21 11.111% * 9.7615% (0.76 0.73 0.24) = 9.761% kept HB2 LEU 17 - HN PHE 21 11.111% * 4.4411% (0.98 0.26 0.02) = 4.441% kept QB ALA 11 - HN PHE 21 11.111% * 0.3021% (0.87 0.02 0.02) = 0.302% QB ALA 91 - HN PHE 21 11.111% * 0.1832% (0.53 0.02 0.02) = 0.183% HG2 LYS+ 78 - HN PHE 21 11.111% * 0.0537% (0.15 0.02 0.02) = 0.054% Peak 314 (9.29, 8.94, 123.00 ppm): 2 chemical-shift based assignments, quality = 0.784, support = 2.04, residual support = 15.1: T HN ILE 29 - HN PHE 21 50.000% * 91.4082% (0.76 10.00 2.10 16.57) = 91.408% kept HN LEU 23 - HN PHE 21 50.000% * 8.5918% (1.00 1.00 1.44 0.02) = 8.592% kept Peak 315 (2.74, 8.94, 123.00 ppm): 7 chemical-shift based assignments, quality = 0.987, support = 2.76, residual support = 20.2: * O HB3 PHE 21 - HN PHE 21 14.286% * 86.6531% (1.00 10.0 2.77 22.60) = 86.653% kept HE3 LYS+ 20 - HN PHE 21 14.286% * 11.9245% (0.92 1.0 2.98 5.20) = 11.925% kept HA1 GLY 58 - HN PHE 21 14.286% * 1.2166% (0.95 1.0 0.29 0.02) = 1.217% kept HB3 ASP- 115 - HN PHE 21 14.286% * 0.0820% (0.94 1.0 0.02 0.02) = 0.082% HB2 HIS+ 5 - HN PHE 21 14.286% * 0.0595% (0.69 1.0 0.02 0.02) = 0.060% HB3 HIS+ 6 - HN PHE 21 14.286% * 0.0526% (0.61 1.0 0.02 0.02) = 0.053% HB3 ASN 15 - HN PHE 21 14.286% * 0.0117% (0.14 1.0 0.02 0.57) = 0.012% Peak 316 (6.89, 8.94, 123.00 ppm): 3 chemical-shift based assignments, quality = 0.956, support = 3.35, residual support = 18.7: QD PHE 21 - HN PHE 21 33.333% * 82.4288% (0.98 3.88 22.60) = 82.429% kept HD22 ASN 15 - HN PHE 21 33.333% * 17.1949% (0.87 0.91 0.57) = 17.195% kept HD21 ASN 119 - HN PHE 21 33.333% * 0.3763% (0.87 0.02 0.02) = 0.376% Peak 317 (0.98, 8.94, 123.00 ppm): 3 chemical-shift based assignments, quality = 0.672, support = 2.21, residual support = 4.88: HG LEU 74 - HN PHE 21 33.333% * 55.7631% (0.79 2.05 4.65) = 55.763% kept * HG2 LYS+ 20 - HN PHE 21 33.333% * 44.0453% (0.53 2.43 5.20) = 44.045% kept QG1 VAL 99 - HN PHE 21 33.333% * 0.1916% (0.28 0.02 0.02) = 0.192% Peak 318 (5.26, 8.94, 123.00 ppm): 1 chemical-shift based assignment, quality = 0.922, support = 2.28, residual support = 22.6: * O HA PHE 21 - HN PHE 21 100.000% *100.0000% (0.92 10.0 2.28 22.60) = 100.000% kept Peak 319 (1.80, 8.20, 122.83 ppm): 15 chemical-shift based assignments, quality = 0.171, support = 3.51, residual support = 25.0: O HB2 LYS+ 117 - HN LYS+ 117 6.667% * 35.2311% (0.19 10.0 3.46 31.30) = 35.231% kept O HB3 LYS+ 117 - HN LYS+ 117 6.667% * 35.2311% (0.19 10.0 3.46 31.30) = 35.231% kept O HB3 PRO 116 - HN LYS+ 117 6.667% * 26.9845% (0.14 10.0 3.56 8.21) = 26.984% kept HD3 LYS+ 117 - HN LYS+ 117 6.667% * 2.2860% (0.05 1.0 4.66 31.30) = 2.286% kept HB3 LYS+ 108 - HN LYS+ 117 6.667% * 0.0353% (0.19 1.0 0.02 0.12) = 0.035% HB3 LYS+ 113 - HN LYS+ 117 6.667% * 0.0352% (0.19 1.0 0.02 0.02) = 0.035% HB3 HIS+ 7 - HN LYS+ 117 6.667% * 0.0350% (0.19 1.0 0.02 0.02) = 0.035% HB3 LYS+ 44 - HN LYS+ 117 6.667% * 0.0341% (0.18 1.0 0.02 0.02) = 0.034% HB3 LYS+ 63 - HN LYS+ 117 6.667% * 0.0326% (0.17 1.0 0.02 0.02) = 0.033% HG2 PRO 31 - HN LYS+ 117 6.667% * 0.0283% (0.15 1.0 0.02 0.02) = 0.028% HB2 GLU- 109 - HN LYS+ 117 6.667% * 0.0200% (0.11 1.0 0.02 0.02) = 0.020% HD3 LYS+ 72 - HN LYS+ 117 6.667% * 0.0158% (0.08 1.0 0.02 0.02) = 0.016% HB3 GLU- 18 - HN LYS+ 117 6.667% * 0.0120% (0.06 1.0 0.02 0.02) = 0.012% HB3 ARG+ 53 - HN LYS+ 117 6.667% * 0.0120% (0.06 1.0 0.02 0.02) = 0.012% HB VAL 73 - HN LYS+ 117 6.667% * 0.0070% (0.04 1.0 0.02 0.02) = 0.007% 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): 14 chemical-shift based assignments, quality = 0.138, support = 3.28, residual support = 29.0: HG3 LYS+ 117 - HN LYS+ 117 7.143% * 50.7833% (0.16 3.51 31.30) = 50.783% kept HG2 LYS+ 117 - HN LYS+ 117 7.143% * 41.7642% (0.13 3.51 31.30) = 41.764% kept HG LEU 74 - HN LYS+ 117 7.143% * 4.3536% (0.08 0.57 0.02) = 4.354% kept QG1 VAL 40 - HN LYS+ 117 7.143% * 1.2498% (0.07 0.19 0.02) = 1.250% kept QD1 LEU 90 - HN LYS+ 117 7.143% * 0.3275% (0.18 0.02 0.39) = 0.328% HB ILE 101 - HN LYS+ 117 7.143% * 0.3275% (0.18 0.02 0.02) = 0.328% QG2 ILE 100 - HN LYS+ 117 7.143% * 0.3196% (0.17 0.02 0.02) = 0.320% QG2 VAL 122 - HN LYS+ 117 7.143% * 0.2240% (0.12 0.02 0.02) = 0.224% QG2 VAL 13 - HN LYS+ 117 7.143% * 0.2100% (0.11 0.02 0.02) = 0.210% QG2 VAL 125 - HN LYS+ 117 7.143% * 0.1181% (0.06 0.02 0.02) = 0.118% QG2 VAL 47 - HN LYS+ 117 7.143% * 0.1069% (0.06 0.02 0.02) = 0.107% QD1 ILE 29 - HN LYS+ 117 7.143% * 0.0863% (0.05 0.02 0.02) = 0.086% QG1 VAL 122 - HN LYS+ 117 7.143% * 0.0685% (0.04 0.02 0.02) = 0.069% QG1 VAL 13 - HN LYS+ 117 7.143% * 0.0606% (0.03 0.02 0.02) = 0.061% Peak 322 (1.75, 8.36, 122.79 ppm): 7 chemical-shift based assignments, quality = 0.857, support = 0.512, residual support = 0.625: HB2 HIS+ 7 - HN LYS+ 108 14.286% * 87.5283% (0.90 0.58 0.71) = 87.528% kept HB VAL 94 - HN LYS+ 108 14.286% * 3.1082% (0.92 0.02 0.14) = 3.108% kept HB2 ARG+ 84 - HN LYS+ 108 14.286% * 2.8124% (0.84 0.02 0.02) = 2.812% kept HB ILE 48 - HN LYS+ 108 14.286% * 2.7010% (0.15 0.10 0.02) = 2.701% kept HB3 GLU- 50 - HN LYS+ 108 14.286% * 1.7715% (0.53 0.02 0.02) = 1.772% kept HB3 GLU- 18 - HN LYS+ 108 14.286% * 1.0392% (0.31 0.02 0.02) = 1.039% kept HB3 ARG+ 53 - HN LYS+ 108 14.286% * 1.0392% (0.31 0.02 0.02) = 1.039% kept Peak 323 (4.25, 8.36, 122.79 ppm): 22 chemical-shift based assignments, quality = 0.979, support = 4.07, residual support = 20.5: * O HA LYS+ 108 - HN LYS+ 108 4.545% * 96.7975% (1.00 10.0 4.18 21.13) = 96.797% kept HA VAL 73 - HN LYS+ 108 4.545% * 2.2404% (0.48 1.0 0.96 0.50) = 2.240% kept HA PRO 59 - HN LYS+ 108 4.545% * 0.0966% (1.00 1.0 0.02 0.02) = 0.097% HA HIS+ 4 - HN LYS+ 108 4.545% * 0.0934% (0.97 1.0 0.02 0.02) = 0.093% HA ASN 89 - HN LYS+ 108 4.545% * 0.0882% (0.91 1.0 0.02 0.02) = 0.088% HA2 GLY 114 - HN LYS+ 108 4.545% * 0.0868% (0.90 1.0 0.02 0.12) = 0.087% HA GLU- 56 - HN LYS+ 108 4.545% * 0.0775% (0.80 1.0 0.02 0.02) = 0.078% HA HIS+ 8 - HN LYS+ 108 4.545% * 0.0775% (0.80 1.0 0.02 0.02) = 0.078% HA GLU- 54 - HN LYS+ 108 4.545% * 0.0665% (0.69 1.0 0.02 0.02) = 0.066% HA SER 49 - HN LYS+ 108 4.545% * 0.0587% (0.61 1.0 0.02 0.02) = 0.059% HA GLU- 75 - HN LYS+ 108 4.545% * 0.0548% (0.57 1.0 0.02 0.02) = 0.055% HA GLU- 18 - HN LYS+ 108 4.545% * 0.0548% (0.57 1.0 0.02 0.02) = 0.055% HA ARG+ 84 - HN LYS+ 108 4.545% * 0.0269% (0.28 1.0 0.02 0.02) = 0.027% HA VAL 65 - HN LYS+ 108 4.545% * 0.0241% (0.25 1.0 0.02 0.02) = 0.024% HA ALA 42 - HN LYS+ 108 4.545% * 0.0241% (0.25 1.0 0.02 0.02) = 0.024% HA LYS+ 110 - HN LYS+ 108 4.545% * 0.0216% (0.22 1.0 0.02 0.02) = 0.022% HA PRO 52 - HN LYS+ 108 4.545% * 0.0192% (0.20 1.0 0.02 0.02) = 0.019% HD3 PRO 59 - HN LYS+ 108 4.545% * 0.0192% (0.20 1.0 0.02 0.02) = 0.019% HA SER 85 - HN LYS+ 108 4.545% * 0.0192% (0.20 1.0 0.02 0.02) = 0.019% HB3 SER 49 - HN LYS+ 108 4.545% * 0.0192% (0.20 1.0 0.02 0.02) = 0.019% HA ALA 91 - HN LYS+ 108 4.545% * 0.0170% (0.18 1.0 0.02 0.02) = 0.017% HA GLU- 12 - HN LYS+ 108 4.545% * 0.0170% (0.18 1.0 0.02 0.02) = 0.017% Peak 324 (4.74, 8.36, 122.79 ppm): 7 chemical-shift based assignments, quality = 0.849, support = 0.453, residual support = 0.428: HA HIS+ 7 - HN LYS+ 108 14.286% * 59.4291% (1.00 0.59 0.71) = 59.429% kept HA MET 118 - HN LYS+ 108 14.286% * 19.0690% (0.69 0.27 0.02) = 19.069% kept HA PRO 31 - HN LYS+ 108 14.286% * 17.6505% (0.61 0.29 0.02) = 17.650% kept HA HIS+ 5 - HN LYS+ 108 14.286% * 1.3895% (0.69 0.02 0.02) = 1.390% kept HA VAL 40 - HN LYS+ 108 14.286% * 1.2269% (0.61 0.02 0.02) = 1.227% kept HA2 GLY 30 - HN LYS+ 108 14.286% * 0.6244% (0.31 0.02 0.02) = 0.624% HA ASN 89 - HN LYS+ 108 14.286% * 0.6107% (0.30 0.02 0.02) = 0.611% Peak 325 (1.42, 8.36, 122.79 ppm): 11 chemical-shift based assignments, quality = 0.947, support = 2.26, residual support = 20.0: * HG3 LYS+ 108 - HN LYS+ 108 9.091% * 94.7159% (1.00 2.38 21.13) = 94.716% kept HD3 LYS+ 44 - HN LYS+ 108 9.091% * 0.7945% (1.00 0.02 0.02) = 0.795% HD3 LYS+ 113 - HN LYS+ 108 9.091% * 0.6892% (0.87 0.02 0.02) = 0.689% HG3 LYS+ 55 - HN LYS+ 108 9.091% * 0.6637% (0.84 0.02 0.02) = 0.664% QB ALA 37 - HN LYS+ 108 9.091% * 0.6072% (0.76 0.02 0.02) = 0.607% QG2 THR 38 - HN LYS+ 108 9.091% * 0.6072% (0.76 0.02 0.02) = 0.607% QB ALA 42 - HN LYS+ 108 9.091% * 0.5458% (0.69 0.02 0.02) = 0.546% HB3 LYS+ 60 - HN LYS+ 108 9.091% * 0.4819% (0.61 0.02 0.02) = 0.482% HG LEU 90 - HN LYS+ 108 9.091% * 0.4180% (0.53 0.02 0.02) = 0.418% HG LEU 74 - HN LYS+ 108 9.091% * 0.2996% (0.38 0.02 0.02) = 0.300% HD3 LYS+ 20 - HN LYS+ 108 9.091% * 0.1769% (0.22 0.02 0.02) = 0.177% Peak 326 (8.34, 8.36, 122.79 ppm): 1 diagonal assignment: HN LYS+ 108 - HN LYS+ 108 (0.61) kept Reference assignment not found: HN GLU- 109 - HN LYS+ 108 Peak 327 (2.00, 8.36, 122.79 ppm): 14 chemical-shift based assignments, quality = 0.429, support = 2.35, residual support = 19.9: * O HB2 LYS+ 108 - HN LYS+ 108 7.143% * 93.8912% (0.45 10.0 2.43 21.13) = 93.891% kept HB3 GLU- 107 - HN LYS+ 108 7.143% * 3.9154% (0.20 1.0 1.89 2.43) = 3.915% kept HB3 PRO 31 - HN LYS+ 108 7.143% * 0.5012% (0.53 1.0 0.09 0.02) = 0.501% HG2 PRO 86 - HN LYS+ 108 7.143% * 0.2094% (1.00 1.0 0.02 0.02) = 0.209% HB2 HIS+ 14 - HN LYS+ 108 7.143% * 0.2076% (0.99 1.0 0.02 0.02) = 0.208% HB VAL 105 - HN LYS+ 108 7.143% * 0.2053% (0.98 1.0 0.02 0.02) = 0.205% HB2 GLU- 18 - HN LYS+ 108 7.143% * 0.1981% (0.95 1.0 0.02 0.02) = 0.198% HG2 GLU- 64 - HN LYS+ 108 7.143% * 0.1878% (0.90 1.0 0.02 0.02) = 0.188% HG2 PRO 116 - HN LYS+ 108 7.143% * 0.1600% (0.76 1.0 0.02 0.21) = 0.160% HB3 PRO 112 - HN LYS+ 108 7.143% * 0.1521% (0.73 1.0 0.02 0.02) = 0.152% HB2 PRO 112 - HN LYS+ 108 7.143% * 0.1355% (0.65 1.0 0.02 0.02) = 0.135% HB2 LYS+ 44 - HN LYS+ 108 7.143% * 0.1102% (0.53 1.0 0.02 0.02) = 0.110% HB3 GLU- 45 - HN LYS+ 108 7.143% * 0.0646% (0.31 1.0 0.02 0.02) = 0.065% HB3 GLU- 75 - HN LYS+ 108 7.143% * 0.0615% (0.29 1.0 0.02 0.02) = 0.062% 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 Reference assignment not found: HE22 GLN 16 - HE22 GLN 16 Peak 333 (1.95, 8.11, 122.55 ppm): 22 chemical-shift based assignments, quality = 0.651, support = 2.3, residual support = 15.9: O HB VAL 122 - HN VAL 122 4.545% * 86.6155% (0.70 10.0 2.37 17.64) = 86.616% kept HB VAL 122 - HN CYS 121 4.545% * 6.5340% (0.33 1.0 3.25 8.96) = 6.534% kept HB2 GLU- 75 - HN VAL 122 4.545% * 2.6311% (0.50 1.0 0.85 0.02) = 2.631% kept HG3 PRO 104 - HN VAL 122 4.545% * 1.8825% (0.36 1.0 0.86 0.02) = 1.883% kept HB2 GLU- 75 - HN CYS 121 4.545% * 0.8957% (0.23 1.0 0.63 0.02) = 0.896% HG3 PRO 104 - HN CYS 121 4.545% * 0.6921% (0.17 1.0 0.68 0.02) = 0.692% HG3 PRO 116 - HN VAL 122 4.545% * 0.0896% (0.73 1.0 0.02 0.02) = 0.090% HB VAL 13 - HN VAL 122 4.545% * 0.0890% (0.72 1.0 0.02 0.02) = 0.089% HB3 GLU- 109 - HN VAL 122 4.545% * 0.0849% (0.69 1.0 0.02 0.02) = 0.085% HG3 PRO 31 - HN VAL 122 4.545% * 0.0805% (0.65 1.0 0.02 0.02) = 0.080% HB3 LYS+ 55 - HN VAL 122 4.545% * 0.0779% (0.63 1.0 0.02 0.02) = 0.078% HG3 PRO 116 - HN CYS 121 4.545% * 0.0416% (0.34 1.0 0.02 0.02) = 0.042% HB VAL 13 - HN CYS 121 4.545% * 0.0413% (0.34 1.0 0.02 0.02) = 0.041% HG2 PRO 112 - HN VAL 122 4.545% * 0.0402% (0.33 1.0 0.02 0.02) = 0.040% HB3 GLU- 109 - HN CYS 121 4.545% * 0.0394% (0.32 1.0 0.02 0.02) = 0.039% HG3 PRO 31 - HN CYS 121 4.545% * 0.0374% (0.30 1.0 0.02 0.02) = 0.037% HB3 LYS+ 55 - HN CYS 121 4.545% * 0.0362% (0.29 1.0 0.02 0.02) = 0.036% HB2 PRO 116 - HN VAL 122 4.545% * 0.0337% (0.27 1.0 0.02 0.02) = 0.034% HG2 PRO 112 - HN CYS 121 4.545% * 0.0187% (0.15 1.0 0.02 0.02) = 0.019% HB ILE 29 - HN VAL 122 4.545% * 0.0157% (0.13 1.0 0.02 0.02) = 0.016% HB2 PRO 116 - HN CYS 121 4.545% * 0.0157% (0.13 1.0 0.02 0.02) = 0.016% HB ILE 29 - HN CYS 121 4.545% * 0.0073% (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 = 0.503, support = 2.46, residual support = 12.9: QG1 VAL 122 - HN VAL 122 3.333% * 30.4657% (0.70 2.85 17.64) = 30.466% kept QG2 VAL 122 - HN VAL 122 3.333% * 28.1958% (0.61 3.05 17.64) = 28.196% kept QG1 VAL 122 - HN CYS 121 3.333% * 11.0840% (0.33 2.23 8.96) = 11.084% kept HG LEU 74 - HN VAL 122 3.333% * 10.2750% (0.37 1.83 4.52) = 10.275% kept QG2 VAL 122 - HN CYS 121 3.333% * 9.4206% (0.28 2.19 8.96) = 9.421% kept HG LEU 74 - HN CYS 121 3.333% * 4.7573% (0.17 1.82 4.62) = 4.757% kept QG2 VAL 105 - HN VAL 122 3.333% * 1.9896% (0.36 0.37 0.02) = 1.990% kept HG13 ILE 68 - HN VAL 122 3.333% * 0.9445% (0.23 0.28 0.25) = 0.944% QG2 VAL 105 - HN CYS 121 3.333% * 0.5404% (0.17 0.22 0.02) = 0.540% QD1 LEU 67 - HN VAL 122 3.333% * 0.3632% (0.27 0.09 0.02) = 0.363% QG2 VAL 47 - HN VAL 122 3.333% * 0.2216% (0.73 0.02 0.02) = 0.222% QG2 VAL 125 - HN VAL 122 3.333% * 0.2211% (0.73 0.02 0.02) = 0.221% QG1 VAL 40 - HN VAL 122 3.333% * 0.2197% (0.72 0.02 0.02) = 0.220% QG1 VAL 80 - HN VAL 122 3.333% * 0.1922% (0.63 0.02 0.02) = 0.192% QG2 ILE 100 - HN VAL 122 3.333% * 0.1166% (0.38 0.02 0.02) = 0.117% QD1 LEU 90 - HN VAL 122 3.333% * 0.1079% (0.36 0.02 0.02) = 0.108% QG2 VAL 47 - HN CYS 121 3.333% * 0.1030% (0.34 0.02 0.02) = 0.103% QG2 VAL 125 - HN CYS 121 3.333% * 0.1027% (0.34 0.02 0.02) = 0.103% QG1 VAL 40 - HN CYS 121 3.333% * 0.1021% (0.34 0.02 0.02) = 0.102% QG1 VAL 47 - HN VAL 122 3.333% * 0.0994% (0.33 0.02 0.02) = 0.099% QG1 VAL 80 - HN CYS 121 3.333% * 0.0893% (0.29 0.02 0.02) = 0.089% QG2 VAL 87 - HN VAL 122 3.333% * 0.0756% (0.25 0.02 0.02) = 0.076% QG2 ILE 100 - HN CYS 121 3.333% * 0.0542% (0.18 0.02 0.02) = 0.054% QD1 LEU 90 - HN CYS 121 3.333% * 0.0501% (0.17 0.02 0.02) = 0.050% QG1 VAL 47 - HN CYS 121 3.333% * 0.0462% (0.15 0.02 0.02) = 0.046% HB ILE 101 - HN VAL 122 3.333% * 0.0388% (0.13 0.02 0.02) = 0.039% QD1 LEU 67 - HN CYS 121 3.333% * 0.0386% (0.13 0.02 0.02) = 0.039% QG2 VAL 87 - HN CYS 121 3.333% * 0.0351% (0.12 0.02 0.02) = 0.035% HG13 ILE 68 - HN CYS 121 3.333% * 0.0318% (0.10 0.02 0.02) = 0.032% HB ILE 101 - HN CYS 121 3.333% * 0.0180% (0.06 0.02 0.02) = 0.018% Peak 335 (3.93, 8.11, 122.55 ppm): 24 chemical-shift based assignments, quality = 0.604, support = 2.24, residual support = 14.8: * O HA VAL 122 - HN VAL 122 4.167% * 57.1918% (0.73 10.0 2.37 17.64) = 57.192% kept O HB3 CYS 121 - HN CYS 121 4.167% * 23.9420% (0.33 10.0 1.84 13.88) = 23.942% kept HB3 CYS 121 - HN VAL 122 4.167% * 7.7782% (0.72 1.0 2.77 8.96) = 7.778% kept HA LEU 74 - HN VAL 122 4.167% * 4.6125% (0.67 1.0 1.75 4.52) = 4.612% kept HA VAL 122 - HN CYS 121 4.167% * 3.9535% (0.34 1.0 2.98 8.96) = 3.953% kept HA LEU 74 - HN CYS 121 4.167% * 2.0925% (0.31 1.0 1.71 4.62) = 2.092% kept HA ASN 89 - HN VAL 122 4.167% * 0.0550% (0.70 1.0 0.02 0.02) = 0.055% HA LYS+ 44 - HN VAL 122 4.167% * 0.0525% (0.67 1.0 0.02 0.02) = 0.053% HB THR 96 - HN VAL 122 4.167% * 0.0496% (0.63 1.0 0.02 0.02) = 0.050% HB3 SER 77 - HN VAL 122 4.167% * 0.0421% (0.54 1.0 0.02 0.02) = 0.042% HA1 GLY 114 - HN VAL 122 4.167% * 0.0370% (0.47 1.0 0.02 0.02) = 0.037% HA ASN 89 - HN CYS 121 4.167% * 0.0255% (0.33 1.0 0.02 0.02) = 0.026% HA LYS+ 44 - HN CYS 121 4.167% * 0.0244% (0.31 1.0 0.02 0.02) = 0.024% HB THR 96 - HN CYS 121 4.167% * 0.0231% (0.29 1.0 0.02 0.02) = 0.023% HB3 SER 77 - HN CYS 121 4.167% * 0.0196% (0.25 1.0 0.02 0.02) = 0.020% HA THR 96 - HN VAL 122 4.167% * 0.0195% (0.25 1.0 0.02 0.02) = 0.020% HA1 GLY 114 - HN CYS 121 4.167% * 0.0172% (0.22 1.0 0.02 0.02) = 0.017% HB2 SER 77 - HN VAL 122 4.167% * 0.0159% (0.20 1.0 0.02 0.02) = 0.016% HA ILE 48 - HN VAL 122 4.167% * 0.0117% (0.15 1.0 0.02 0.02) = 0.012% HA ALA 93 - HN VAL 122 4.167% * 0.0100% (0.13 1.0 0.02 0.02) = 0.010% HA THR 96 - HN CYS 121 4.167% * 0.0091% (0.12 1.0 0.02 0.02) = 0.009% HB2 SER 77 - HN CYS 121 4.167% * 0.0074% (0.09 1.0 0.02 0.02) = 0.007% HA ILE 48 - HN CYS 121 4.167% * 0.0054% (0.07 1.0 0.02 0.02) = 0.005% HA ALA 93 - HN CYS 121 4.167% * 0.0047% (0.06 1.0 0.02 0.02) = 0.005% Peak 336 (2.36, 8.11, 122.55 ppm): 12 chemical-shift based assignments, quality = 0.414, support = 2.13, residual support = 12.5: O HB2 CYS 121 - HN CYS 121 8.333% * 73.5928% (0.32 10.0 1.84 13.88) = 73.593% kept HB2 CYS 121 - HN VAL 122 8.333% * 25.7948% (0.69 1.0 2.99 8.96) = 25.795% kept HG3 GLU- 50 - HN VAL 122 8.333% * 0.1392% (0.56 1.0 0.02 0.02) = 0.139% HA1 GLY 58 - HN VAL 122 8.333% * 0.1144% (0.46 1.0 0.02 0.02) = 0.114% HB2 HIS+ 3 - HN VAL 122 8.333% * 0.0958% (0.38 1.0 0.02 0.02) = 0.096% HG3 GLU- 50 - HN CYS 121 8.333% * 0.0647% (0.26 1.0 0.02 0.02) = 0.065% HA1 GLY 58 - HN CYS 121 8.333% * 0.0531% (0.21 1.0 0.02 0.02) = 0.053% HB2 HIS+ 3 - HN CYS 121 8.333% * 0.0445% (0.18 1.0 0.02 0.02) = 0.045% HB2 LYS+ 78 - HN VAL 122 8.333% * 0.0406% (0.16 1.0 0.02 0.02) = 0.041% HB2 TYR 83 - HN VAL 122 8.333% * 0.0281% (0.11 1.0 0.02 0.17) = 0.028% HB2 LYS+ 78 - HN CYS 121 8.333% * 0.0188% (0.08 1.0 0.02 0.02) = 0.019% HB2 TYR 83 - HN CYS 121 8.333% * 0.0131% (0.05 1.0 0.02 0.02) = 0.013% Peak 337 (2.18, 8.11, 122.55 ppm): 24 chemical-shift based assignments, quality = 0.5, support = 0.621, residual support = 0.0841: HG3 GLN 16 - HN VAL 122 4.167% * 16.1154% (0.67 0.72 0.22) = 16.115% kept HG2 GLN 16 - HN VAL 122 4.167% * 15.8788% (0.69 0.69 0.22) = 15.879% kept HG2 PRO 104 - HN VAL 122 4.167% * 12.6242% (0.53 0.72 0.02) = 12.624% kept HB3 PRO 104 - HN VAL 122 4.167% * 11.1943% (0.67 0.50 0.02) = 11.194% kept HG2 GLN 16 - HN CYS 121 4.167% * 7.0645% (0.32 0.66 0.02) = 7.064% kept HG3 GLN 16 - HN CYS 121 4.167% * 6.7673% (0.31 0.65 0.02) = 6.767% kept HB3 PRO 104 - HN CYS 121 4.167% * 6.4868% (0.31 0.62 0.02) = 6.487% kept HB3 GLU- 75 - HN VAL 122 4.167% * 5.4963% (0.27 0.61 0.02) = 5.496% kept HG2 PRO 104 - HN CYS 121 4.167% * 5.0487% (0.25 0.62 0.02) = 5.049% kept HB2 ASP- 82 - HN CYS 121 4.167% * 4.1048% (0.34 0.37 0.02) = 4.105% kept HB2 ASP- 82 - HN VAL 122 4.167% * 4.0621% (0.73 0.17 0.02) = 4.062% kept HB3 GLU- 75 - HN CYS 121 4.167% * 3.5393% (0.13 0.85 0.02) = 3.539% kept HG2 GLN 102 - HN VAL 122 4.167% * 0.4847% (0.73 0.02 0.02) = 0.485% HG2 GLN 102 - HN CYS 121 4.167% * 0.2252% (0.34 0.02 0.02) = 0.225% HG2 MET 126 - HN VAL 122 4.167% * 0.1993% (0.30 0.02 0.02) = 0.199% HA1 GLY 58 - HN VAL 122 4.167% * 0.1399% (0.21 0.02 0.02) = 0.140% HB2 LYS+ 113 - HN VAL 122 4.167% * 0.1209% (0.18 0.02 0.02) = 0.121% HG2 MET 126 - HN CYS 121 4.167% * 0.0926% (0.14 0.02 0.02) = 0.093% HB3 LYS+ 78 - HN VAL 122 4.167% * 0.0849% (0.13 0.02 0.02) = 0.085% HG3 GLU- 54 - HN VAL 122 4.167% * 0.0748% (0.11 0.02 0.02) = 0.075% HA1 GLY 58 - HN CYS 121 4.167% * 0.0650% (0.10 0.02 0.02) = 0.065% HB2 LYS+ 113 - HN CYS 121 4.167% * 0.0562% (0.08 0.02 0.02) = 0.056% HB3 LYS+ 78 - HN CYS 121 4.167% * 0.0394% (0.06 0.02 0.02) = 0.039% HG3 GLU- 54 - HN CYS 121 4.167% * 0.0348% (0.05 0.02 0.02) = 0.035% Reference assignment not found: HG2 GLN 16 - HE21 GLN 16 Peak 338 (4.42, 8.11, 122.55 ppm): 18 chemical-shift based assignments, quality = 0.592, support = 2.03, residual support = 10.3: * O HA CYS 121 - HN VAL 122 5.556% * 64.6158% (0.73 10.0 1.87 8.96) = 64.616% kept O HA CYS 121 - HN CYS 121 5.556% * 32.1547% (0.34 10.0 2.52 13.88) = 32.155% kept HA VAL 73 - HN VAL 122 5.556% * 1.8417% (0.64 1.0 0.61 0.02) = 1.842% kept HA VAL 73 - HN CYS 121 5.556% * 0.8749% (0.30 1.0 0.63 0.02) = 0.875% HA LYS+ 66 - HN VAL 122 5.556% * 0.0691% (0.73 1.0 0.02 0.02) = 0.069% HA HIS+ 14 - HN VAL 122 5.556% * 0.0621% (0.65 1.0 0.02 0.02) = 0.062% HA THR 24 - HN VAL 122 5.556% * 0.0600% (0.63 1.0 0.02 0.02) = 0.060% HA LYS+ 111 - HN VAL 122 5.556% * 0.0503% (0.53 1.0 0.02 0.02) = 0.050% HA ASN 89 - HN VAL 122 5.556% * 0.0491% (0.52 1.0 0.02 0.02) = 0.049% HB THR 24 - HN VAL 122 5.556% * 0.0475% (0.50 1.0 0.02 0.02) = 0.048% HA LYS+ 66 - HN CYS 121 5.556% * 0.0321% (0.34 1.0 0.02 0.02) = 0.032% HA HIS+ 14 - HN CYS 121 5.556% * 0.0288% (0.30 1.0 0.02 0.02) = 0.029% HA THR 24 - HN CYS 121 5.556% * 0.0279% (0.29 1.0 0.02 0.02) = 0.028% HA LYS+ 111 - HN CYS 121 5.556% * 0.0233% (0.25 1.0 0.02 0.02) = 0.023% HA ASN 89 - HN CYS 121 5.556% * 0.0228% (0.24 1.0 0.02 0.02) = 0.023% HB THR 24 - HN CYS 121 5.556% * 0.0221% (0.23 1.0 0.02 0.02) = 0.022% HA SER 88 - HN VAL 122 5.556% * 0.0121% (0.13 1.0 0.02 0.02) = 0.012% HA SER 88 - HN CYS 121 5.556% * 0.0056% (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 = 0.565, support = 1.65, residual support = 4.02: HG LEU 74 - HN VAL 122 8.333% * 29.9576% (0.71 1.83 4.52) = 29.958% kept HB2 LEU 74 - HN VAL 122 8.333% * 29.6167% (0.72 1.77 4.52) = 29.617% kept HB2 LEU 74 - HN CYS 121 8.333% * 14.3249% (0.34 1.85 4.62) = 14.325% kept HG LEU 74 - HN CYS 121 8.333% * 13.8702% (0.33 1.82 4.62) = 13.870% kept HB ILE 68 - HN VAL 122 8.333% * 7.2908% (0.50 0.63 0.25) = 7.291% kept HB ILE 68 - HN CYS 121 8.333% * 3.0963% (0.23 0.58 0.02) = 3.096% kept QG2 THR 106 - HN CYS 121 8.333% * 0.7133% (0.32 0.10 0.02) = 0.713% HB3 LYS+ 66 - HN VAL 122 8.333% * 0.3361% (0.73 0.02 0.02) = 0.336% QG2 THR 106 - HN VAL 122 8.333% * 0.3187% (0.69 0.02 0.02) = 0.319% HG3 PRO 59 - HN VAL 122 8.333% * 0.2179% (0.47 0.02 0.02) = 0.218% HB3 LYS+ 66 - HN CYS 121 8.333% * 0.1562% (0.34 0.02 0.02) = 0.156% HG3 PRO 59 - HN CYS 121 8.333% * 0.1013% (0.22 0.02 0.02) = 0.101% 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): 13 chemical-shift based assignments, quality = 0.0834, support = 2.93, residual support = 25.6: HG3 LYS+ 117 - HN LYS+ 117 7.692% * 48.6977% (0.09 3.51 31.30) = 48.698% kept HG2 LYS+ 117 - HN LYS+ 117 7.692% * 32.9354% (0.06 3.51 31.30) = 32.935% kept HG LEU 74 - HN LYS+ 117 7.692% * 9.0532% (0.11 0.57 0.02) = 9.053% kept QG1 VAL 40 - HN LYS+ 117 7.692% * 5.1949% (0.18 0.19 0.02) = 5.195% kept QG2 VAL 122 - HN LYS+ 117 7.692% * 0.6612% (0.22 0.02 0.02) = 0.661% QG2 ILE 100 - HN LYS+ 117 7.692% * 0.6381% (0.21 0.02 0.02) = 0.638% QD1 LEU 90 - HN LYS+ 117 7.692% * 0.6227% (0.20 0.02 0.39) = 0.623% QG2 VAL 125 - HN LYS+ 117 7.692% * 0.5155% (0.17 0.02 0.02) = 0.516% QG2 VAL 47 - HN LYS+ 117 7.692% * 0.4899% (0.16 0.02 0.02) = 0.490% HB ILE 101 - HN LYS+ 117 7.692% * 0.3819% (0.13 0.02 0.02) = 0.382% QG1 VAL 122 - HN LYS+ 117 7.692% * 0.3819% (0.13 0.02 0.02) = 0.382% QG1 VAL 80 - HN LYS+ 117 7.692% * 0.2773% (0.09 0.02 0.02) = 0.277% QG2 VAL 13 - HN LYS+ 117 7.692% * 0.1502% (0.05 0.02 0.02) = 0.150% Peak 342 (4.67, 8.11, 122.75 ppm): 16 chemical-shift based assignments, quality = 0.196, support = 1.39, residual support = 0.916: * O HA LYS+ 120 - HN CYS 121 6.250% * 76.8214% (0.14 10.0 1.64 1.15) = 76.821% kept HA GLN 16 - HN VAL 122 6.250% * 10.1976% (0.35 1.0 0.88 0.22) = 10.198% kept HA TYR 83 - HN VAL 122 6.250% * 5.1181% (0.62 1.0 0.25 0.17) = 5.118% kept HA LYS+ 120 - HN VAL 122 6.250% * 3.3653% (0.43 1.0 0.24 0.02) = 3.365% kept HA GLN 16 - HN CYS 121 6.250% * 2.8440% (0.12 1.0 0.73 0.02) = 2.844% kept HA ASN 119 - HN VAL 122 6.250% * 0.2975% (0.45 1.0 0.02 0.02) = 0.298% HA ASP- 36 - HN VAL 122 6.250% * 0.2975% (0.45 1.0 0.02 0.02) = 0.298% HA THR 61 - HN VAL 122 6.250% * 0.2485% (0.38 1.0 0.02 0.02) = 0.249% HA ASN 89 - HN VAL 122 6.250% * 0.1543% (0.24 1.0 0.02 0.02) = 0.154% HA LYS+ 20 - HN VAL 122 6.250% * 0.1398% (0.21 1.0 0.02 0.02) = 0.140% HA TYR 83 - HN CYS 121 6.250% * 0.1364% (0.21 1.0 0.02 0.02) = 0.136% HA ASN 119 - HN CYS 121 6.250% * 0.0993% (0.15 1.0 0.02 0.02) = 0.099% HA ASP- 36 - HN CYS 121 6.250% * 0.0993% (0.15 1.0 0.02 0.02) = 0.099% HA THR 61 - HN CYS 121 6.250% * 0.0829% (0.13 1.0 0.02 0.02) = 0.083% HA ASN 89 - HN CYS 121 6.250% * 0.0515% (0.08 1.0 0.02 0.02) = 0.051% HA LYS+ 20 - HN CYS 121 6.250% * 0.0466% (0.07 1.0 0.02 0.02) = 0.047% Not enough quality. Peak unassigned. 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 = 0.419, support = 2.44, residual support = 12.9: * QG1 VAL 122 - HN VAL 122 3.571% * 35.3374% (0.62 2.85 17.64) = 35.337% kept QG2 VAL 122 - HN VAL 122 3.571% * 25.9560% (0.43 3.05 17.64) = 25.956% kept HG LEU 74 - HN VAL 122 3.571% * 11.7568% (0.32 1.83 4.52) = 11.757% kept QG1 VAL 122 - HN CYS 121 3.571% * 9.2331% (0.21 2.23 8.96) = 9.233% kept QG2 VAL 122 - HN CYS 121 3.571% * 6.2281% (0.14 2.19 8.96) = 6.228% kept HG LEU 74 - HN CYS 121 3.571% * 3.9092% (0.11 1.82 4.62) = 3.909% kept QG2 VAL 105 - HN VAL 122 3.571% * 2.9600% (0.40 0.37 0.02) = 2.960% kept HG13 ILE 68 - HN VAL 122 3.571% * 1.5357% (0.28 0.28 0.25) = 1.536% kept QG2 VAL 105 - HN CYS 121 3.571% * 0.5774% (0.13 0.22 0.02) = 0.577% QD1 LEU 67 - HN VAL 122 3.571% * 0.5699% (0.33 0.09 0.02) = 0.570% QG1 VAL 80 - HN VAL 122 3.571% * 0.2394% (0.60 0.02 0.02) = 0.239% QG2 VAL 47 - HN VAL 122 3.571% * 0.2394% (0.60 0.02 0.02) = 0.239% QG2 VAL 125 - HN VAL 122 3.571% * 0.2347% (0.59 0.02 0.02) = 0.235% QG1 VAL 40 - HN VAL 122 3.571% * 0.2290% (0.58 0.02 0.02) = 0.229% QG1 VAL 47 - HN VAL 122 3.571% * 0.1505% (0.38 0.02 0.02) = 0.150% QG2 VAL 87 - HN VAL 122 3.571% * 0.1207% (0.30 0.02 0.02) = 0.121% QG2 ILE 100 - HN VAL 122 3.571% * 0.0931% (0.23 0.02 0.02) = 0.093% QD1 LEU 90 - HN VAL 122 3.571% * 0.0846% (0.21 0.02 0.02) = 0.085% QG2 VAL 47 - HN CYS 121 3.571% * 0.0799% (0.20 0.02 0.02) = 0.080% QG1 VAL 80 - HN CYS 121 3.571% * 0.0799% (0.20 0.02 0.02) = 0.080% QG2 VAL 125 - HN CYS 121 3.571% * 0.0783% (0.20 0.02 0.02) = 0.078% QG1 VAL 40 - HN CYS 121 3.571% * 0.0764% (0.19 0.02 0.02) = 0.076% QG1 VAL 47 - HN CYS 121 3.571% * 0.0502% (0.13 0.02 0.02) = 0.050% QD1 LEU 67 - HN CYS 121 3.571% * 0.0436% (0.11 0.02 0.02) = 0.044% QG2 VAL 87 - HN CYS 121 3.571% * 0.0403% (0.10 0.02 0.02) = 0.040% HG13 ILE 68 - HN CYS 121 3.571% * 0.0371% (0.09 0.02 0.02) = 0.037% QG2 ILE 100 - HN CYS 121 3.571% * 0.0311% (0.08 0.02 0.02) = 0.031% QD1 LEU 90 - HN CYS 121 3.571% * 0.0282% (0.07 0.02 0.02) = 0.028% Peak 345 (1.96, 8.11, 122.75 ppm): 22 chemical-shift based assignments, quality = 0.582, support = 2.3, residual support = 16.1: * O HB VAL 122 - HN VAL 122 4.545% * 88.9433% (0.62 10.0 2.37 17.64) = 88.943% kept HB VAL 122 - HN CYS 121 4.545% * 4.8187% (0.21 1.0 3.25 8.96) = 4.819% kept HG3 PRO 104 - HN VAL 122 4.545% * 2.4794% (0.40 1.0 0.86 0.02) = 2.479% kept HB2 GLU- 75 - HN VAL 122 4.545% * 1.9971% (0.33 1.0 0.85 0.02) = 1.997% kept HG3 PRO 104 - HN CYS 121 4.545% * 0.6546% (0.13 1.0 0.68 0.02) = 0.655% HB2 GLU- 75 - HN CYS 121 4.545% * 0.4883% (0.11 1.0 0.63 0.02) = 0.488% HB3 GLU- 109 - HN VAL 122 4.545% * 0.0887% (0.62 1.0 0.02 0.02) = 0.089% HB VAL 13 - HN VAL 122 4.545% * 0.0882% (0.62 1.0 0.02 0.02) = 0.088% HG3 PRO 116 - HN VAL 122 4.545% * 0.0872% (0.61 1.0 0.02 0.02) = 0.087% HG3 PRO 31 - HN VAL 122 4.545% * 0.0680% (0.48 1.0 0.02 0.02) = 0.068% HB3 LYS+ 55 - HN VAL 122 4.545% * 0.0646% (0.45 1.0 0.02 0.02) = 0.065% HB3 GLU- 109 - HN CYS 121 4.545% * 0.0296% (0.21 1.0 0.02 0.02) = 0.030% HB VAL 13 - HN CYS 121 4.545% * 0.0294% (0.21 1.0 0.02 0.02) = 0.029% HG3 PRO 116 - HN CYS 121 4.545% * 0.0291% (0.20 1.0 0.02 0.02) = 0.029% HG2 PRO 112 - HN VAL 122 4.545% * 0.0275% (0.19 1.0 0.02 0.02) = 0.027% HG3 PRO 31 - HN CYS 121 4.545% * 0.0227% (0.16 1.0 0.02 0.02) = 0.023% HB2 PRO 116 - HN VAL 122 4.545% * 0.0222% (0.16 1.0 0.02 0.02) = 0.022% HB3 LYS+ 55 - HN CYS 121 4.545% * 0.0216% (0.15 1.0 0.02 0.02) = 0.022% HB2 LYS+ 108 - HN VAL 122 4.545% * 0.0176% (0.12 1.0 0.02 0.02) = 0.018% HG2 PRO 112 - HN CYS 121 4.545% * 0.0092% (0.06 1.0 0.02 0.02) = 0.009% HB2 PRO 116 - HN CYS 121 4.545% * 0.0074% (0.05 1.0 0.02 0.02) = 0.007% HB2 LYS+ 108 - HN CYS 121 4.545% * 0.0059% (0.04 1.0 0.02 0.02) = 0.006% Peak 346 (3.93, 8.11, 122.75 ppm): 24 chemical-shift based assignments, quality = 0.517, support = 2.27, residual support = 15.0: O HA VAL 122 - HN VAL 122 4.167% * 62.8359% (0.62 10.0 2.37 17.64) = 62.836% kept O HB3 CYS 121 - HN CYS 121 4.167% * 18.6410% (0.20 10.0 1.84 13.88) = 18.641% kept HB3 CYS 121 - HN VAL 122 4.167% * 8.4326% (0.60 1.0 2.77 8.96) = 8.433% kept HA LEU 74 - HN VAL 122 4.167% * 4.9343% (0.56 1.0 1.75 4.52) = 4.934% kept HA VAL 122 - HN CYS 121 4.167% * 3.1195% (0.21 1.0 2.98 8.96) = 3.119% kept HA LEU 74 - HN CYS 121 4.167% * 1.6076% (0.19 1.0 1.71 4.62) = 1.608% kept HA ASN 89 - HN VAL 122 4.167% * 0.0606% (0.60 1.0 0.02 0.02) = 0.061% HA LYS+ 44 - HN VAL 122 4.167% * 0.0580% (0.58 1.0 0.02 0.02) = 0.058% HB THR 96 - HN VAL 122 4.167% * 0.0526% (0.52 1.0 0.02 0.02) = 0.053% HB3 SER 77 - HN VAL 122 4.167% * 0.0470% (0.47 1.0 0.02 0.02) = 0.047% HA1 GLY 114 - HN VAL 122 4.167% * 0.0433% (0.43 1.0 0.02 0.02) = 0.043% HA ASN 89 - HN CYS 121 4.167% * 0.0202% (0.20 1.0 0.02 0.02) = 0.020% HA THR 96 - HN VAL 122 4.167% * 0.0194% (0.19 1.0 0.02 0.02) = 0.019% HA LYS+ 44 - HN CYS 121 4.167% * 0.0194% (0.19 1.0 0.02 0.02) = 0.019% HB THR 96 - HN CYS 121 4.167% * 0.0176% (0.17 1.0 0.02 0.02) = 0.018% HB2 SER 77 - HN VAL 122 4.167% * 0.0157% (0.16 1.0 0.02 0.02) = 0.016% HB3 SER 77 - HN CYS 121 4.167% * 0.0157% (0.16 1.0 0.02 0.02) = 0.016% HA1 GLY 114 - HN CYS 121 4.167% * 0.0144% (0.14 1.0 0.02 0.02) = 0.014% HA ILE 48 - HN VAL 122 4.167% * 0.0127% (0.13 1.0 0.02 0.02) = 0.013% HA ALA 93 - HN VAL 122 4.167% * 0.0125% (0.12 1.0 0.02 0.02) = 0.012% HA THR 96 - HN CYS 121 4.167% * 0.0065% (0.06 1.0 0.02 0.02) = 0.006% HB2 SER 77 - HN CYS 121 4.167% * 0.0052% (0.05 1.0 0.02 0.02) = 0.005% HA ILE 48 - HN CYS 121 4.167% * 0.0042% (0.04 1.0 0.02 0.02) = 0.004% HA ALA 93 - HN CYS 121 4.167% * 0.0042% (0.04 1.0 0.02 0.02) = 0.004% Peak 347 (2.19, 8.11, 122.75 ppm): 26 chemical-shift based assignments, quality = 0.37, support = 0.6, residual support = 0.0912: HG2 GLN 16 - HN VAL 122 3.846% * 21.9917% (0.59 0.69 0.22) = 21.992% kept HB3 PRO 104 - HN VAL 122 3.846% * 16.2084% (0.60 0.50 0.02) = 16.208% kept HG3 GLN 16 - HN VAL 122 3.846% * 13.6886% (0.35 0.72 0.22) = 13.689% kept HG2 PRO 104 - HN VAL 122 3.846% * 8.2132% (0.21 0.72 0.02) = 8.213% kept HG2 GLN 16 - HN CYS 121 3.846% * 7.0266% (0.20 0.66 0.02) = 7.027% kept HB3 PRO 104 - HN CYS 121 3.846% * 6.7453% (0.20 0.62 0.02) = 6.745% kept HB3 GLU- 75 - HN VAL 122 3.846% * 5.8687% (0.18 0.61 0.02) = 5.869% kept HB2 ASP- 82 - HN VAL 122 3.846% * 4.7096% (0.52 0.17 0.02) = 4.710% kept HG3 GLN 16 - HN CYS 121 3.846% * 4.1282% (0.12 0.65 0.02) = 4.128% kept HB2 ASP- 82 - HN CYS 121 3.846% * 3.4178% (0.17 0.37 0.02) = 3.418% kept HB3 GLU- 75 - HN CYS 121 3.846% * 2.7141% (0.06 0.85 0.02) = 2.714% kept HG2 PRO 104 - HN CYS 121 3.846% * 2.3590% (0.07 0.62 0.02) = 2.359% kept HG2 MET 126 - HN VAL 122 3.846% * 0.5376% (0.50 0.02 0.02) = 0.538% HG2 GLN 102 - HN VAL 122 3.846% * 0.5376% (0.50 0.02 0.02) = 0.538% HB2 LYS+ 113 - HN VAL 122 3.846% * 0.4072% (0.38 0.02 0.02) = 0.407% HG3 GLU- 54 - HN VAL 122 3.846% * 0.3010% (0.28 0.02 0.02) = 0.301% HA1 GLY 58 - HN VAL 122 3.846% * 0.2042% (0.19 0.02 0.02) = 0.204% HG2 MET 126 - HN CYS 121 3.846% * 0.1794% (0.17 0.02 0.02) = 0.179% HG2 GLN 102 - HN CYS 121 3.846% * 0.1794% (0.17 0.02 0.02) = 0.179% HB2 LYS+ 113 - HN CYS 121 3.846% * 0.1359% (0.13 0.02 0.02) = 0.136% HG3 MET 126 - HN VAL 122 3.846% * 0.1176% (0.11 0.02 0.02) = 0.118% HG3 GLU- 54 - HN CYS 121 3.846% * 0.1004% (0.09 0.02 0.02) = 0.100% HG3 GLU- 109 - HN VAL 122 3.846% * 0.0909% (0.08 0.02 0.02) = 0.091% HA1 GLY 58 - HN CYS 121 3.846% * 0.0681% (0.06 0.02 0.02) = 0.068% HG3 MET 126 - HN CYS 121 3.846% * 0.0392% (0.04 0.02 0.02) = 0.039% HG3 GLU- 109 - HN CYS 121 3.846% * 0.0303% (0.03 0.02 0.02) = 0.030% Reference assignment not found: HG2 GLN 16 - HE22 GLN 16 Peak 348 (1.19, 8.11, 122.75 ppm): 10 chemical-shift based assignments, quality = 0.431, support = 1.58, residual support = 3.7: HG LEU 74 - HN VAL 122 10.000% * 40.2938% (0.60 1.83 4.52) = 40.294% kept HB2 LEU 74 - HN VAL 122 10.000% * 19.9626% (0.30 1.77 4.52) = 19.963% kept HB ILE 68 - HN VAL 122 10.000% * 14.2792% (0.61 0.63 0.25) = 14.279% kept HG LEU 74 - HN CYS 121 10.000% * 13.3981% (0.20 1.82 4.62) = 13.398% kept HB2 LEU 74 - HN CYS 121 10.000% * 6.9342% (0.10 1.85 4.62) = 6.934% kept HB ILE 68 - HN CYS 121 10.000% * 4.3551% (0.20 0.58 0.02) = 4.355% kept QG2 THR 106 - HN CYS 121 10.000% * 0.2790% (0.08 0.10 0.02) = 0.279% HB3 LYS+ 66 - HN VAL 122 10.000% * 0.2432% (0.33 0.02 0.02) = 0.243% QG2 THR 106 - HN VAL 122 10.000% * 0.1735% (0.23 0.02 0.02) = 0.174% HB3 LYS+ 66 - HN CYS 121 10.000% * 0.0812% (0.11 0.02 0.02) = 0.081% Peak 349 (2.35, 8.11, 122.75 ppm): 10 chemical-shift based assignments, quality = 0.339, support = 2.2, residual support = 12.2: O HB2 CYS 121 - HN CYS 121 10.000% * 66.6670% (0.21 10.0 1.84 13.88) = 66.667% kept * HB2 CYS 121 - HN VAL 122 10.000% * 32.5373% (0.62 1.0 2.99 8.96) = 32.537% kept HG3 GLU- 50 - HN VAL 122 10.000% * 0.2116% (0.60 1.0 0.02 0.02) = 0.212% HB2 HIS+ 3 - HN VAL 122 10.000% * 0.1756% (0.50 1.0 0.02 0.02) = 0.176% HA1 GLY 58 - HN VAL 122 10.000% * 0.1346% (0.38 1.0 0.02 0.02) = 0.135% HB2 TYR 83 - HN VAL 122 10.000% * 0.0748% (0.21 1.0 0.02 0.17) = 0.075% HG3 GLU- 50 - HN CYS 121 10.000% * 0.0706% (0.20 1.0 0.02 0.02) = 0.071% HB2 HIS+ 3 - HN CYS 121 10.000% * 0.0586% (0.17 1.0 0.02 0.02) = 0.059% HA1 GLY 58 - HN CYS 121 10.000% * 0.0449% (0.13 1.0 0.02 0.02) = 0.045% HB2 TYR 83 - HN CYS 121 10.000% * 0.0250% (0.07 1.0 0.02 0.02) = 0.025% Peak 350 (0.85, 8.21, 122.47 ppm): 14 chemical-shift based assignments, quality = 0.818, support = 3.27, residual support = 28.8: * HG2 LYS+ 117 - HN LYS+ 117 7.143% * 46.7852% (0.88 3.51 31.30) = 46.785% kept HG3 LYS+ 117 - HN LYS+ 117 7.143% * 45.1498% (0.85 3.51 31.30) = 45.150% kept QG1 VAL 94 - HN LYS+ 117 7.143% * 3.5994% (0.30 0.79 0.02) = 3.599% kept HG LEU 74 - HN LYS+ 117 7.143% * 3.0908% (0.36 0.57 0.02) = 3.091% kept QG2 VAL 13 - HN LYS+ 117 7.143% * 0.2641% (0.87 0.02 0.02) = 0.264% HB ILE 101 - HN LYS+ 117 7.143% * 0.2311% (0.76 0.02 0.02) = 0.231% QD1 ILE 29 - HN LYS+ 117 7.143% * 0.1935% (0.64 0.02 0.02) = 0.193% QG1 VAL 13 - HN LYS+ 117 7.143% * 0.1616% (0.53 0.02 0.02) = 0.162% QD1 LEU 90 - HN LYS+ 117 7.143% * 0.1297% (0.43 0.02 0.39) = 0.130% QG2 ILE 100 - HN LYS+ 117 7.143% * 0.1195% (0.39 0.02 0.02) = 0.119% HG2 LYS+ 113 - HN LYS+ 117 7.143% * 0.1095% (0.36 0.02 0.02) = 0.110% HG3 LYS+ 113 - HN LYS+ 117 7.143% * 0.0664% (0.22 0.02 0.02) = 0.066% QG2 VAL 122 - HN LYS+ 117 7.143% * 0.0527% (0.17 0.02 0.02) = 0.053% QD2 LEU 17 - HN LYS+ 117 7.143% * 0.0467% (0.15 0.02 0.02) = 0.047% Peak 351 (8.21, 8.21, 122.47 ppm): 1 diagonal assignment: HN LYS+ 117 - HN LYS+ 117 (0.61) kept Reference assignment not found: HN MET 118 - HN LYS+ 117 Peak 352 (1.80, 8.21, 122.47 ppm): 15 chemical-shift based assignments, quality = 0.797, support = 3.51, residual support = 25.2: * O HB3 LYS+ 117 - HN LYS+ 117 6.667% * 35.7562% (0.88 10.0 3.46 31.30) = 35.756% kept O HB2 LYS+ 117 - HN LYS+ 117 6.667% * 35.4398% (0.87 10.0 3.46 31.30) = 35.440% kept O HB3 PRO 116 - HN LYS+ 117 6.667% * 25.9644% (0.64 10.0 3.56 8.21) = 25.964% kept HD3 LYS+ 117 - HN LYS+ 117 6.667% * 2.5698% (0.27 1.0 4.66 31.30) = 2.570% kept HB3 LYS+ 108 - HN LYS+ 117 6.667% * 0.0357% (0.88 1.0 0.02 0.12) = 0.036% HB3 LYS+ 113 - HN LYS+ 117 6.667% * 0.0354% (0.87 1.0 0.02 0.02) = 0.035% HB3 LYS+ 44 - HN LYS+ 117 6.667% * 0.0350% (0.86 1.0 0.02 0.02) = 0.035% HB3 HIS+ 7 - HN LYS+ 117 6.667% * 0.0350% (0.86 1.0 0.02 0.02) = 0.035% HB3 LYS+ 63 - HN LYS+ 117 6.667% * 0.0321% (0.79 1.0 0.02 0.02) = 0.032% HG2 PRO 31 - HN LYS+ 117 6.667% * 0.0273% (0.67 1.0 0.02 0.02) = 0.027% HB2 GLU- 109 - HN LYS+ 117 6.667% * 0.0217% (0.53 1.0 0.02 0.02) = 0.022% HD3 LYS+ 72 - HN LYS+ 117 6.667% * 0.0174% (0.43 1.0 0.02 0.02) = 0.017% HB3 GLU- 18 - HN LYS+ 117 6.667% * 0.0110% (0.27 1.0 0.02 0.02) = 0.011% HB3 ARG+ 53 - HN LYS+ 117 6.667% * 0.0110% (0.27 1.0 0.02 0.02) = 0.011% HB VAL 73 - HN LYS+ 117 6.667% * 0.0080% (0.20 1.0 0.02 0.02) = 0.008% Peak 353 (1.37, 8.21, 122.47 ppm): 10 chemical-shift based assignments, quality = 0.71, support = 1.57, residual support = 1.61: HB3 LYS+ 20 - HN LYS+ 117 10.000% * 37.6443% (0.88 2.23 2.04) = 37.644% kept HB2 LYS+ 20 - HN LYS+ 117 10.000% * 21.4316% (0.76 1.46 2.04) = 21.432% kept QG2 THR 39 - HN LYS+ 117 10.000% * 16.0931% (0.81 1.03 0.68) = 16.093% kept HD3 LYS+ 20 - HN LYS+ 117 10.000% * 7.9103% (0.30 1.37 2.04) = 7.910% kept HG3 LYS+ 20 - HN LYS+ 117 10.000% * 6.5430% (0.24 1.39 2.04) = 6.543% kept HG LEU 74 - HN LYS+ 117 10.000% * 4.8315% (0.45 0.57 0.02) = 4.831% kept HG13 ILE 19 - HN LYS+ 117 10.000% * 4.7587% (0.46 0.53 0.02) = 4.759% kept HG2 LYS+ 78 - HN LYS+ 117 10.000% * 0.3375% (0.88 0.02 0.02) = 0.337% QB ALA 91 - HN LYS+ 117 10.000% * 0.2585% (0.67 0.02 0.29) = 0.258% HG3 ARG+ 22 - HN LYS+ 117 10.000% * 0.1915% (0.50 0.02 0.02) = 0.191% Peak 354 (4.36, 8.21, 122.47 ppm): 15 chemical-shift based assignments, quality = 0.872, support = 3.43, residual support = 31.0: * O HA LYS+ 117 - HN LYS+ 117 6.667% * 99.0107% (0.88 10.0 3.46 31.30) = 99.011% kept HA VAL 73 - HN LYS+ 117 6.667% * 0.0988% (0.88 1.0 0.02 0.02) = 0.099% HA2 GLY 26 - HN LYS+ 117 6.667% * 0.0971% (0.86 1.0 0.02 0.02) = 0.097% HA MET 1 - HN LYS+ 117 6.667% * 0.0971% (0.86 1.0 0.02 0.02) = 0.097% HB3 HIS+ 4 - HN LYS+ 117 6.667% * 0.0914% (0.81 1.0 0.02 0.02) = 0.091% HA1 GLY 26 - HN LYS+ 117 6.667% * 0.0914% (0.81 1.0 0.02 0.02) = 0.091% HA HIS+ 3 - HN LYS+ 117 6.667% * 0.0827% (0.74 1.0 0.02 0.02) = 0.083% HA ASN 89 - HN LYS+ 117 6.667% * 0.0780% (0.69 1.0 0.02 0.02) = 0.078% HA THR 38 - HN LYS+ 117 6.667% * 0.0757% (0.67 1.0 0.02 0.02) = 0.076% HA LYS+ 60 - HN LYS+ 117 6.667% * 0.0641% (0.57 1.0 0.02 0.02) = 0.064% HA ALA 37 - HN LYS+ 117 6.667% * 0.0561% (0.50 1.0 0.02 0.02) = 0.056% HA ASN 57 - HN LYS+ 117 6.667% * 0.0521% (0.46 1.0 0.02 0.02) = 0.052% HB THR 61 - HN LYS+ 117 6.667% * 0.0407% (0.36 1.0 0.02 0.02) = 0.041% HA VAL 94 - HN LYS+ 117 6.667% * 0.0338% (0.30 1.0 0.02 0.02) = 0.034% HA TRP 51 - HN LYS+ 117 6.667% * 0.0306% (0.27 1.0 0.02 0.02) = 0.031% Peak 355 (4.78, 8.21, 122.47 ppm): 8 chemical-shift based assignments, quality = 0.871, support = 1.94, residual support = 7.8: O HA PRO 116 - HN LYS+ 117 12.500% * 95.0389% (0.87 10.0 1.99 8.21) = 95.039% kept HA ASP- 115 - HN LYS+ 117 12.500% * 4.7079% (0.87 1.0 0.99 0.02) = 4.708% kept HA ASN 15 - HN LYS+ 117 12.500% * 0.0960% (0.88 1.0 0.02 0.02) = 0.096% HA LYS+ 113 - HN LYS+ 117 12.500% * 0.0835% (0.76 1.0 0.02 0.02) = 0.083% HA ASN 89 - HN LYS+ 117 12.500% * 0.0249% (0.23 1.0 0.02 0.02) = 0.025% HA VAL 40 - HN LYS+ 117 12.500% * 0.0190% (0.17 1.0 0.02 0.02) = 0.019% HA MET 118 - HN LYS+ 117 12.500% * 0.0148% (0.14 1.0 0.02 0.02) = 0.015% HA HIS+ 5 - HN LYS+ 117 12.500% * 0.0148% (0.14 1.0 0.02 0.02) = 0.015% Peak 356 (3.93, 8.07, 122.58 ppm): 24 chemical-shift based assignments, quality = 0.697, support = 2.09, residual support = 13.5: * O HB3 CYS 121 - HN CYS 121 4.167% * 53.9518% (0.85 10.0 1.84 13.88) = 53.952% kept O HA VAL 122 - HN VAL 122 4.167% * 26.2012% (0.38 10.0 2.37 17.64) = 26.201% kept HA VAL 122 - HN CYS 121 4.167% * 8.6745% (0.85 1.0 2.98 8.96) = 8.675% kept HA LEU 74 - HN CYS 121 4.167% * 4.8427% (0.83 1.0 1.71 4.62) = 4.843% kept HB3 CYS 121 - HN VAL 122 4.167% * 3.6597% (0.38 1.0 2.77 8.96) = 3.660% kept HA LEU 74 - HN VAL 122 4.167% * 2.2289% (0.37 1.0 1.75 4.52) = 2.229% kept HA ASN 89 - HN CYS 121 4.167% * 0.0565% (0.82 1.0 0.02 0.02) = 0.056% HB THR 96 - HN CYS 121 4.167% * 0.0543% (0.79 1.0 0.02 0.02) = 0.054% HA LYS+ 44 - HN CYS 121 4.167% * 0.0537% (0.78 1.0 0.02 0.02) = 0.054% HB3 SER 77 - HN CYS 121 4.167% * 0.0421% (0.61 1.0 0.02 0.02) = 0.042% HA1 GLY 114 - HN CYS 121 4.167% * 0.0333% (0.48 1.0 0.02 0.02) = 0.033% HA ASN 89 - HN VAL 122 4.167% * 0.0254% (0.37 1.0 0.02 0.02) = 0.025% HB THR 96 - HN VAL 122 4.167% * 0.0244% (0.36 1.0 0.02 0.02) = 0.024% HA THR 96 - HN CYS 121 4.167% * 0.0242% (0.35 1.0 0.02 0.02) = 0.024% HA LYS+ 44 - HN VAL 122 4.167% * 0.0241% (0.35 1.0 0.02 0.02) = 0.024% HB2 SER 77 - HN CYS 121 4.167% * 0.0201% (0.29 1.0 0.02 0.02) = 0.020% HB3 SER 77 - HN VAL 122 4.167% * 0.0189% (0.28 1.0 0.02 0.02) = 0.019% HA1 GLY 114 - HN VAL 122 4.167% * 0.0150% (0.22 1.0 0.02 0.02) = 0.015% HA ILE 48 - HN CYS 121 4.167% * 0.0124% (0.18 1.0 0.02 0.02) = 0.012% HA THR 96 - HN VAL 122 4.167% * 0.0109% (0.16 1.0 0.02 0.02) = 0.011% HB2 SER 77 - HN VAL 122 4.167% * 0.0090% (0.13 1.0 0.02 0.02) = 0.009% HA ALA 93 - HN CYS 121 4.167% * 0.0080% (0.12 1.0 0.02 0.02) = 0.008% HA ILE 48 - HN VAL 122 4.167% * 0.0056% (0.08 1.0 0.02 0.02) = 0.006% HA ALA 93 - HN VAL 122 4.167% * 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 = 0.662, support = 1.69, residual support = 4.16: HG LEU 74 - HN CYS 121 8.333% * 31.3837% (0.84 1.82 4.62) = 31.384% kept HB2 LEU 74 - HN CYS 121 8.333% * 31.3678% (0.83 1.85 4.62) = 31.368% kept HG LEU 74 - HN VAL 122 8.333% * 14.1530% (0.38 1.83 4.52) = 14.153% kept HB2 LEU 74 - HN VAL 122 8.333% * 13.5410% (0.37 1.77 4.52) = 13.541% kept HB ILE 68 - HN CYS 121 8.333% * 4.5448% (0.38 0.58 0.02) = 4.545% kept HB ILE 68 - HN VAL 122 8.333% * 2.2345% (0.17 0.63 0.25) = 2.234% kept QG2 THR 106 - HN CYS 121 8.333% * 1.6921% (0.85 0.10 0.02) = 1.692% kept HB3 LYS+ 66 - HN CYS 121 8.333% * 0.3330% (0.81 0.02 0.02) = 0.333% HG3 PRO 59 - HN CYS 121 8.333% * 0.3053% (0.74 0.02 0.02) = 0.305% QG2 THR 106 - HN VAL 122 8.333% * 0.1578% (0.38 0.02 0.02) = 0.158% HB3 LYS+ 66 - HN VAL 122 8.333% * 0.1496% (0.36 0.02 0.02) = 0.150% HG3 PRO 59 - HN VAL 122 8.333% * 0.1372% (0.33 0.02 0.02) = 0.137% Peak 358 (4.42, 8.07, 122.58 ppm): 18 chemical-shift based assignments, quality = 0.684, support = 2.26, residual support = 12.0: O HA CYS 121 - HN CYS 121 5.556% * 68.1742% (0.83 10.0 2.52 13.88) = 68.174% kept O HA CYS 121 - HN VAL 122 5.556% * 28.6046% (0.37 10.0 1.87 8.96) = 28.605% kept HA VAL 73 - HN CYS 121 5.556% * 1.8807% (0.73 1.0 0.63 0.02) = 1.881% kept HA VAL 73 - HN VAL 122 5.556% * 0.8266% (0.33 1.0 0.61 0.02) = 0.827% HA LYS+ 66 - HN CYS 121 5.556% * 0.0668% (0.81 1.0 0.02 0.02) = 0.067% HA LYS+ 111 - HN CYS 121 5.556% * 0.0613% (0.74 1.0 0.02 0.02) = 0.061% HB THR 24 - HN CYS 121 5.556% * 0.0590% (0.72 1.0 0.02 0.02) = 0.059% HA HIS+ 14 - HN CYS 121 5.556% * 0.0540% (0.65 1.0 0.02 0.02) = 0.054% HA THR 24 - HN CYS 121 5.556% * 0.0513% (0.62 1.0 0.02 0.02) = 0.051% HA ASN 89 - HN CYS 121 5.556% * 0.0498% (0.60 1.0 0.02 0.02) = 0.050% HA LYS+ 66 - HN VAL 122 5.556% * 0.0300% (0.36 1.0 0.02 0.02) = 0.030% HA LYS+ 111 - HN VAL 122 5.556% * 0.0275% (0.33 1.0 0.02 0.02) = 0.028% HB THR 24 - HN VAL 122 5.556% * 0.0265% (0.32 1.0 0.02 0.02) = 0.027% HA HIS+ 14 - HN VAL 122 5.556% * 0.0243% (0.29 1.0 0.02 0.02) = 0.024% HA THR 24 - HN VAL 122 5.556% * 0.0231% (0.28 1.0 0.02 0.02) = 0.023% HA ASN 89 - HN VAL 122 5.556% * 0.0224% (0.27 1.0 0.02 0.02) = 0.022% HA VAL 99 - HN CYS 121 5.556% * 0.0124% (0.15 1.0 0.02 0.02) = 0.012% HA VAL 99 - HN VAL 122 5.556% * 0.0056% (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 = 0.411, support = 2.35, residual support = 13.4: O HB VAL 122 - HN VAL 122 3.846% * 64.3237% (0.31 10.0 2.37 17.64) = 64.324% kept HB VAL 122 - HN CYS 121 3.846% * 23.2400% (0.69 1.0 3.25 8.96) = 23.240% kept HB2 GLU- 75 - HN CYS 121 3.846% * 5.0130% (0.77 1.0 0.63 0.02) = 5.013% kept HB2 GLU- 75 - HN VAL 122 3.846% * 3.0746% (0.35 1.0 0.85 0.02) = 3.075% kept HG3 PRO 104 - HN CYS 121 3.846% * 1.6947% (0.24 1.0 0.68 0.02) = 1.695% kept HG3 PRO 104 - HN VAL 122 3.846% * 0.9624% (0.11 1.0 0.86 0.02) = 0.962% HG3 PRO 31 - HN CYS 121 3.846% * 0.1784% (0.85 1.0 0.02 0.02) = 0.178% HB3 LYS+ 55 - HN CYS 121 3.846% * 0.1772% (0.85 1.0 0.02 0.02) = 0.177% HG3 PRO 116 - HN CYS 121 3.846% * 0.1603% (0.77 1.0 0.02 0.02) = 0.160% HB VAL 13 - HN CYS 121 3.846% * 0.1551% (0.74 1.0 0.02 0.02) = 0.155% HB3 GLU- 109 - HN CYS 121 3.846% * 0.1366% (0.65 1.0 0.02 0.02) = 0.137% HG2 PRO 112 - HN CYS 121 3.846% * 0.1228% (0.59 1.0 0.02 0.02) = 0.123% HB2 PRO 116 - HN CYS 121 3.846% * 0.1084% (0.52 1.0 0.02 0.02) = 0.108% HG3 PRO 31 - HN VAL 122 3.846% * 0.0802% (0.38 1.0 0.02 0.02) = 0.080% HB3 LYS+ 55 - HN VAL 122 3.846% * 0.0796% (0.38 1.0 0.02 0.02) = 0.080% HG3 PRO 116 - HN VAL 122 3.846% * 0.0720% (0.35 1.0 0.02 0.02) = 0.072% HB VAL 13 - HN VAL 122 3.846% * 0.0697% (0.33 1.0 0.02 0.02) = 0.070% HB3 GLU- 109 - HN VAL 122 3.846% * 0.0614% (0.29 1.0 0.02 0.02) = 0.061% HB ILE 29 - HN CYS 121 3.846% * 0.0610% (0.29 1.0 0.02 0.02) = 0.061% HG2 PRO 112 - HN VAL 122 3.846% * 0.0552% (0.26 1.0 0.02 0.02) = 0.055% HB2 PRO 116 - HN VAL 122 3.846% * 0.0487% (0.23 1.0 0.02 0.02) = 0.049% HB3 PRO 35 - HN CYS 121 3.846% * 0.0398% (0.19 1.0 0.02 0.02) = 0.040% HB2 LEU 23 - HN CYS 121 3.846% * 0.0276% (0.13 1.0 0.02 0.02) = 0.028% HB ILE 29 - HN VAL 122 3.846% * 0.0274% (0.13 1.0 0.02 0.02) = 0.027% HB3 PRO 35 - HN VAL 122 3.846% * 0.0179% (0.09 1.0 0.02 0.02) = 0.018% HB2 LEU 23 - HN VAL 122 3.846% * 0.0124% (0.06 1.0 0.02 0.02) = 0.012% Peak 360 (2.36, 8.07, 122.58 ppm): 12 chemical-shift based assignments, quality = 0.805, support = 1.91, residual support = 13.5: * O HB2 CYS 121 - HN CYS 121 8.333% * 92.8413% (0.84 10.0 1.84 13.88) = 92.841% kept HB2 CYS 121 - HN VAL 122 8.333% * 6.7945% (0.38 1.0 2.99 8.96) = 6.795% kept HG3 GLU- 50 - HN CYS 121 8.333% * 0.0861% (0.72 1.0 0.02 0.02) = 0.086% HA1 GLY 58 - HN CYS 121 8.333% * 0.0643% (0.53 1.0 0.02 0.02) = 0.064% HB2 HIS+ 3 - HN CYS 121 8.333% * 0.0625% (0.52 1.0 0.02 0.02) = 0.063% HG3 GLU- 50 - HN VAL 122 8.333% * 0.0387% (0.32 1.0 0.02 0.02) = 0.039% HA1 GLY 58 - HN VAL 122 8.333% * 0.0289% (0.24 1.0 0.02 0.02) = 0.029% HB2 HIS+ 3 - HN VAL 122 8.333% * 0.0281% (0.23 1.0 0.02 0.02) = 0.028% HB2 TYR 83 - HN CYS 121 8.333% * 0.0204% (0.17 1.0 0.02 0.02) = 0.020% HB2 LYS+ 78 - HN CYS 121 8.333% * 0.0180% (0.15 1.0 0.02 0.02) = 0.018% HB2 TYR 83 - HN VAL 122 8.333% * 0.0092% (0.08 1.0 0.02 0.17) = 0.009% HB2 LYS+ 78 - HN VAL 122 8.333% * 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 Reference assignment not found: HN CYS 121 - HN VAL 122 Peak 362 (0.88, 8.07, 122.58 ppm): 32 chemical-shift based assignments, quality = 0.548, support = 2.27, residual support = 10.5: QG2 VAL 122 - HN CYS 121 3.125% * 25.6762% (0.81 2.19 8.96) = 25.676% kept QG1 VAL 122 - HN CYS 121 3.125% * 23.9761% (0.74 2.23 8.96) = 23.976% kept QG2 VAL 122 - HN VAL 122 3.125% * 16.0457% (0.36 3.05 17.64) = 16.046% kept QG1 VAL 122 - HN VAL 122 3.125% * 13.7599% (0.33 2.85 17.64) = 13.760% kept HG LEU 74 - HN CYS 121 3.125% * 11.1965% (0.43 1.82 4.62) = 11.196% kept HG LEU 74 - HN VAL 122 3.125% * 5.0492% (0.19 1.83 4.52) = 5.049% kept QG2 VAL 105 - HN CYS 121 3.125% * 0.9114% (0.29 0.22 0.02) = 0.911% QG2 VAL 105 - HN VAL 122 3.125% * 0.7006% (0.13 0.37 0.02) = 0.701% HG13 ILE 68 - HN VAL 122 3.125% * 0.3043% (0.08 0.28 0.25) = 0.304% QG1 VAL 40 - HN CYS 121 3.125% * 0.2456% (0.85 0.02 0.02) = 0.246% QG2 VAL 125 - HN CYS 121 3.125% * 0.2429% (0.84 0.02 0.02) = 0.243% QG2 VAL 47 - HN CYS 121 3.125% * 0.2392% (0.83 0.02 0.02) = 0.239% QG1 VAL 80 - HN CYS 121 3.125% * 0.1799% (0.62 0.02 0.02) = 0.180% QG2 ILE 100 - HN CYS 121 3.125% * 0.1702% (0.59 0.02 0.02) = 0.170% QD1 LEU 90 - HN CYS 121 3.125% * 0.1603% (0.55 0.02 0.02) = 0.160% QD1 LEU 67 - HN VAL 122 3.125% * 0.1212% (0.10 0.09 0.02) = 0.121% QG1 VAL 40 - HN VAL 122 3.125% * 0.1104% (0.38 0.02 0.02) = 0.110% QG2 VAL 125 - HN VAL 122 3.125% * 0.1092% (0.38 0.02 0.02) = 0.109% QG2 VAL 47 - HN VAL 122 3.125% * 0.1075% (0.37 0.02 0.02) = 0.107% QG1 VAL 80 - HN VAL 122 3.125% * 0.0809% (0.28 0.02 0.02) = 0.081% QG2 ILE 100 - HN VAL 122 3.125% * 0.0765% (0.26 0.02 0.02) = 0.076% QG1 VAL 47 - HN CYS 121 3.125% * 0.0765% (0.26 0.02 0.02) = 0.076% QD1 LEU 90 - HN VAL 122 3.125% * 0.0720% (0.25 0.02 0.02) = 0.072% HB ILE 101 - HN CYS 121 3.125% * 0.0689% (0.24 0.02 0.02) = 0.069% QD1 LEU 67 - HN CYS 121 3.125% * 0.0618% (0.21 0.02 0.02) = 0.062% QG2 VAL 87 - HN CYS 121 3.125% * 0.0552% (0.19 0.02 0.02) = 0.055% HG13 ILE 68 - HN CYS 121 3.125% * 0.0490% (0.17 0.02 0.02) = 0.049% HG3 LYS+ 117 - HN CYS 121 3.125% * 0.0434% (0.15 0.02 0.02) = 0.043% QG1 VAL 47 - HN VAL 122 3.125% * 0.0344% (0.12 0.02 0.02) = 0.034% HB ILE 101 - HN VAL 122 3.125% * 0.0310% (0.11 0.02 0.02) = 0.031% QG2 VAL 87 - HN VAL 122 3.125% * 0.0248% (0.09 0.02 0.02) = 0.025% HG3 LYS+ 117 - HN VAL 122 3.125% * 0.0195% (0.07 0.02 0.02) = 0.020% Peak 363 (2.17, 8.07, 122.58 ppm): 22 chemical-shift based assignments, quality = 0.579, support = 0.628, residual support = 0.0471: HG3 GLN 16 - HN CYS 121 4.545% * 15.7483% (0.86 0.65 0.02) = 15.748% kept HG2 PRO 104 - HN CYS 121 4.545% * 13.7877% (0.79 0.62 0.02) = 13.788% kept HG2 GLN 16 - HN CYS 121 4.545% * 12.2604% (0.65 0.66 0.02) = 12.260% kept HB3 PRO 104 - HN CYS 121 4.545% * 10.9616% (0.62 0.62 0.02) = 10.962% kept HB3 GLU- 75 - HN CYS 121 4.545% * 8.7594% (0.37 0.85 0.02) = 8.759% kept HB2 ASP- 82 - HN CYS 121 4.545% * 7.9257% (0.77 0.37 0.02) = 7.926% kept HG3 GLN 16 - HN VAL 122 4.545% * 7.8303% (0.38 0.72 0.22) = 7.830% kept HG2 PRO 104 - HN VAL 122 4.545% * 7.1983% (0.36 0.72 0.02) = 7.198% kept HG2 GLN 16 - HN VAL 122 4.545% * 5.7539% (0.29 0.69 0.22) = 5.754% kept HB3 PRO 104 - HN VAL 122 4.545% * 3.9497% (0.28 0.50 0.02) = 3.950% kept HB3 GLU- 75 - HN VAL 122 4.545% * 2.8401% (0.16 0.61 0.02) = 2.840% kept HB2 ASP- 82 - HN VAL 122 4.545% * 1.6377% (0.35 0.17 0.02) = 1.638% kept HG2 GLN 102 - HN CYS 121 4.545% * 0.4466% (0.79 0.02 0.02) = 0.447% HG2 GLN 102 - HN VAL 122 4.545% * 0.2007% (0.36 0.02 0.02) = 0.201% HB3 LYS+ 78 - HN CYS 121 4.545% * 0.1650% (0.29 0.02 0.02) = 0.165% HA1 GLY 58 - HN CYS 121 4.545% * 0.1352% (0.24 0.02 0.02) = 0.135% HG2 MET 126 - HN CYS 121 4.545% * 0.1077% (0.19 0.02 0.02) = 0.108% HG3 GLN 102 - HN CYS 121 4.545% * 0.0747% (0.13 0.02 0.02) = 0.075% HB3 LYS+ 78 - HN VAL 122 4.545% * 0.0742% (0.13 0.02 0.02) = 0.074% HA1 GLY 58 - HN VAL 122 4.545% * 0.0608% (0.11 0.02 0.02) = 0.061% HG2 MET 126 - HN VAL 122 4.545% * 0.0484% (0.09 0.02 0.02) = 0.048% HG3 GLN 102 - HN VAL 122 4.545% * 0.0335% (0.06 0.02 0.02) = 0.034% Reference assignment not found: HG3 GLN 16 - HE22 GLN 16 Peak 364 (0.86, 8.17, 122.42 ppm): 14 chemical-shift based assignments, quality = 0.181, support = 3.24, residual support = 28.6: HG3 LYS+ 117 - HN LYS+ 117 7.143% * 50.9817% (0.21 3.51 31.30) = 50.982% kept HG2 LYS+ 117 - HN LYS+ 117 7.143% * 40.4627% (0.17 3.51 31.30) = 40.463% kept HG LEU 74 - HN LYS+ 117 7.143% * 4.8348% (0.12 0.57 0.02) = 4.835% kept QG1 VAL 40 - HN LYS+ 117 7.143% * 1.6381% (0.12 0.19 0.02) = 1.638% kept QD1 LEU 90 - HN LYS+ 117 7.143% * 0.3724% (0.27 0.02 0.39) = 0.372% QG2 ILE 100 - HN LYS+ 117 7.143% * 0.3666% (0.26 0.02 0.02) = 0.367% HB ILE 101 - HN LYS+ 117 7.143% * 0.3407% (0.24 0.02 0.02) = 0.341% QG2 VAL 122 - HN LYS+ 117 7.143% * 0.2759% (0.20 0.02 0.02) = 0.276% QG2 VAL 13 - HN LYS+ 117 7.143% * 0.1999% (0.14 0.02 0.02) = 0.200% QG2 VAL 125 - HN LYS+ 117 7.143% * 0.1562% (0.11 0.02 0.02) = 0.156% QG2 VAL 47 - HN LYS+ 117 7.143% * 0.1426% (0.10 0.02 0.02) = 0.143% QG1 VAL 122 - HN LYS+ 117 7.143% * 0.0947% (0.07 0.02 0.02) = 0.095% QD1 ILE 29 - HN LYS+ 117 7.143% * 0.0752% (0.05 0.02 0.02) = 0.075% QG1 VAL 80 - HN LYS+ 117 7.143% * 0.0586% (0.04 0.02 0.02) = 0.059% Peak 365 (1.78, 8.17, 122.42 ppm): 15 chemical-shift based assignments, quality = 0.233, support = 3.49, residual support = 22.1: * O HB3 PRO 116 - HN LYS+ 117 6.667% * 39.4604% (0.27 10.0 3.56 8.21) = 39.460% kept O HB2 LYS+ 117 - HN LYS+ 117 6.667% * 31.5974% (0.22 10.0 3.46 31.30) = 31.597% kept O HB3 LYS+ 117 - HN LYS+ 117 6.667% * 28.6541% (0.20 10.0 3.46 31.30) = 28.654% kept HG2 PRO 31 - HN LYS+ 117 6.667% * 0.0394% (0.27 1.0 0.02 0.02) = 0.039% HB3 LYS+ 63 - HN LYS+ 117 6.667% * 0.0373% (0.26 1.0 0.02 0.02) = 0.037% HB3 HIS+ 7 - HN LYS+ 117 6.667% * 0.0330% (0.23 1.0 0.02 0.02) = 0.033% HB3 LYS+ 113 - HN LYS+ 117 6.667% * 0.0316% (0.22 1.0 0.02 0.02) = 0.032% HB3 LYS+ 108 - HN LYS+ 117 6.667% * 0.0302% (0.21 1.0 0.02 0.12) = 0.030% HB3 GLU- 18 - HN LYS+ 117 6.667% * 0.0302% (0.21 1.0 0.02 0.02) = 0.030% HB3 ARG+ 53 - HN LYS+ 117 6.667% * 0.0302% (0.21 1.0 0.02 0.02) = 0.030% HB3 LYS+ 44 - HN LYS+ 117 6.667% * 0.0239% (0.17 1.0 0.02 0.02) = 0.024% HB2 ARG+ 84 - HN LYS+ 117 6.667% * 0.0098% (0.07 1.0 0.02 0.02) = 0.010% HB2 GLU- 109 - HN LYS+ 117 6.667% * 0.0078% (0.05 1.0 0.02 0.02) = 0.008% HB2 HIS+ 7 - HN LYS+ 117 6.667% * 0.0078% (0.05 1.0 0.02 0.02) = 0.008% HB VAL 94 - HN LYS+ 117 6.667% * 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 = 0.713, support = 1.7, residual support = 4.2: HG LEU 74 - HN CYS 121 8.333% * 30.4055% (0.91 1.82 4.62) = 30.406% kept HB2 LEU 74 - HN CYS 121 8.333% * 29.0153% (0.86 1.85 4.62) = 29.015% kept HG LEU 74 - HN VAL 122 8.333% * 16.6967% (0.50 1.83 4.52) = 16.697% kept HB2 LEU 74 - HN VAL 122 8.333% * 15.2520% (0.47 1.77 4.52) = 15.252% kept HB ILE 68 - HN CYS 121 8.333% * 3.6792% (0.35 0.58 0.02) = 3.679% kept HB ILE 68 - HN VAL 122 8.333% * 2.2026% (0.19 0.63 0.25) = 2.203% kept QG2 THR 106 - HN CYS 121 8.333% * 1.6075% (0.91 0.10 0.02) = 1.608% kept HG3 PRO 59 - HN CYS 121 8.333% * 0.3142% (0.86 0.02 0.02) = 0.314% HB3 LYS+ 66 - HN CYS 121 8.333% * 0.3053% (0.83 0.02 0.02) = 0.305% QG2 THR 106 - HN VAL 122 8.333% * 0.1826% (0.50 0.02 0.02) = 0.183% HG3 PRO 59 - HN VAL 122 8.333% * 0.1719% (0.47 0.02 0.02) = 0.172% HB3 LYS+ 66 - HN VAL 122 8.333% * 0.1670% (0.46 0.02 0.02) = 0.167% Peak 367 (3.93, 8.07, 122.54 ppm): 22 chemical-shift based assignments, quality = 0.764, support = 2.11, residual support = 13.6: O HB3 CYS 121 - HN CYS 121 4.545% * 50.8274% (0.93 10.0 1.84 13.88) = 50.827% kept O HA VAL 122 - HN VAL 122 4.545% * 29.2661% (0.49 10.0 2.37 17.64) = 29.266% kept HA VAL 122 - HN CYS 121 4.545% * 7.9571% (0.90 1.0 2.98 8.96) = 7.957% kept HA LEU 74 - HN CYS 121 4.545% * 4.6855% (0.92 1.0 1.71 4.62) = 4.686% kept * HB3 CYS 121 - HN VAL 122 4.545% * 4.1983% (0.51 1.0 2.77 8.96) = 4.198% kept HA LEU 74 - HN VAL 122 4.545% * 2.6260% (0.50 1.0 1.75 4.52) = 2.626% kept HB THR 96 - HN CYS 121 4.545% * 0.0535% (0.90 1.0 0.02 0.02) = 0.053% HA ASN 89 - HN CYS 121 4.545% * 0.0531% (0.89 1.0 0.02 0.02) = 0.053% HA LYS+ 44 - HN CYS 121 4.545% * 0.0502% (0.84 1.0 0.02 0.02) = 0.050% HB3 SER 77 - HN CYS 121 4.545% * 0.0385% (0.65 1.0 0.02 0.02) = 0.039% HB THR 96 - HN VAL 122 4.545% * 0.0293% (0.49 1.0 0.02 0.02) = 0.029% HA ASN 89 - HN VAL 122 4.545% * 0.0291% (0.49 1.0 0.02 0.02) = 0.029% HA LYS+ 44 - HN VAL 122 4.545% * 0.0275% (0.46 1.0 0.02 0.02) = 0.027% HA THR 96 - HN CYS 121 4.545% * 0.0270% (0.45 1.0 0.02 0.02) = 0.027% HA1 GLY 114 - HN CYS 121 4.545% * 0.0270% (0.45 1.0 0.02 0.02) = 0.027% HB2 SER 77 - HN CYS 121 4.545% * 0.0228% (0.38 1.0 0.02 0.02) = 0.023% HB3 SER 77 - HN VAL 122 4.545% * 0.0211% (0.35 1.0 0.02 0.02) = 0.021% HA THR 96 - HN VAL 122 4.545% * 0.0148% (0.25 1.0 0.02 0.02) = 0.015% HA1 GLY 114 - HN VAL 122 4.545% * 0.0148% (0.25 1.0 0.02 0.02) = 0.015% HB2 SER 77 - HN VAL 122 4.545% * 0.0125% (0.21 1.0 0.02 0.02) = 0.012% HA ILE 48 - HN CYS 121 4.545% * 0.0119% (0.20 1.0 0.02 0.02) = 0.012% HA ILE 48 - HN VAL 122 4.545% * 0.0065% (0.11 1.0 0.02 0.02) = 0.007% Peak 368 (4.42, 8.07, 122.54 ppm): 18 chemical-shift based assignments, quality = 0.774, support = 2.24, residual support = 11.8: * O HA CYS 121 - HN CYS 121 5.556% * 64.0677% (0.93 10.0 2.52 13.88) = 64.068% kept O HA CYS 121 - HN VAL 122 5.556% * 32.7332% (0.51 10.0 1.87 8.96) = 32.733% kept HA VAL 73 - HN CYS 121 5.556% * 1.7563% (0.81 1.0 0.63 0.02) = 1.756% kept HA VAL 73 - HN VAL 122 5.556% * 0.9399% (0.44 1.0 0.61 0.02) = 0.940% HA LYS+ 66 - HN CYS 121 5.556% * 0.0642% (0.93 1.0 0.02 0.02) = 0.064% HA HIS+ 14 - HN CYS 121 5.556% * 0.0593% (0.86 1.0 0.02 0.02) = 0.059% HA THR 24 - HN CYS 121 5.556% * 0.0576% (0.83 1.0 0.02 0.02) = 0.058% HA ASN 89 - HN CYS 121 5.556% * 0.0457% (0.66 1.0 0.02 0.02) = 0.046% HA LYS+ 111 - HN CYS 121 5.556% * 0.0441% (0.64 1.0 0.02 0.02) = 0.044% HB THR 24 - HN CYS 121 5.556% * 0.0415% (0.60 1.0 0.02 0.02) = 0.042% HA LYS+ 66 - HN VAL 122 5.556% * 0.0351% (0.51 1.0 0.02 0.02) = 0.035% HA HIS+ 14 - HN VAL 122 5.556% * 0.0324% (0.47 1.0 0.02 0.02) = 0.032% HA THR 24 - HN VAL 122 5.556% * 0.0315% (0.46 1.0 0.02 0.02) = 0.032% HA ASN 89 - HN VAL 122 5.556% * 0.0250% (0.36 1.0 0.02 0.02) = 0.025% HA LYS+ 111 - HN VAL 122 5.556% * 0.0241% (0.35 1.0 0.02 0.02) = 0.024% HB THR 24 - HN VAL 122 5.556% * 0.0227% (0.33 1.0 0.02 0.02) = 0.023% HA SER 88 - HN CYS 121 5.556% * 0.0127% (0.18 1.0 0.02 0.02) = 0.013% HA SER 88 - HN VAL 122 5.556% * 0.0070% (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 = 0.501, support = 2.35, residual support = 13.9: O HB VAL 122 - HN VAL 122 4.167% * 68.4609% (0.42 10.0 2.37 17.64) = 68.461% kept HB VAL 122 - HN CYS 121 4.167% * 20.3129% (0.78 1.0 3.25 8.96) = 20.313% kept HB2 GLU- 75 - HN CYS 121 4.167% * 4.0628% (0.81 1.0 0.63 0.02) = 4.063% kept HB2 GLU- 75 - HN VAL 122 4.167% * 3.0342% (0.44 1.0 0.85 0.02) = 3.034% kept HG3 PRO 104 - HN CYS 121 4.167% * 1.5763% (0.29 1.0 0.68 0.02) = 1.576% kept HG3 PRO 104 - HN VAL 122 4.167% * 1.0901% (0.16 1.0 0.86 0.02) = 1.090% kept HG3 PRO 31 - HN CYS 121 4.167% * 0.1485% (0.92 1.0 0.02 0.02) = 0.148% HB3 LYS+ 55 - HN CYS 121 4.167% * 0.1468% (0.91 1.0 0.02 0.02) = 0.147% HG3 PRO 116 - HN CYS 121 4.167% * 0.1383% (0.86 1.0 0.02 0.02) = 0.138% HB VAL 13 - HN CYS 121 4.167% * 0.1343% (0.83 1.0 0.02 0.02) = 0.134% HB3 GLU- 109 - HN CYS 121 4.167% * 0.1199% (0.74 1.0 0.02 0.02) = 0.120% HG2 PRO 112 - HN CYS 121 4.167% * 0.0969% (0.60 1.0 0.02 0.02) = 0.097% HB2 PRO 116 - HN CYS 121 4.167% * 0.0848% (0.53 1.0 0.02 0.02) = 0.085% HG3 PRO 31 - HN VAL 122 4.167% * 0.0812% (0.50 1.0 0.02 0.02) = 0.081% HB3 LYS+ 55 - HN VAL 122 4.167% * 0.0803% (0.50 1.0 0.02 0.02) = 0.080% HG3 PRO 116 - HN VAL 122 4.167% * 0.0757% (0.47 1.0 0.02 0.02) = 0.076% HB VAL 13 - HN VAL 122 4.167% * 0.0735% (0.46 1.0 0.02 0.02) = 0.074% HB3 GLU- 109 - HN VAL 122 4.167% * 0.0656% (0.41 1.0 0.02 0.02) = 0.066% HG2 PRO 112 - HN VAL 122 4.167% * 0.0530% (0.33 1.0 0.02 0.02) = 0.053% HB2 PRO 116 - HN VAL 122 4.167% * 0.0464% (0.29 1.0 0.02 0.02) = 0.046% HB ILE 29 - HN CYS 121 4.167% * 0.0462% (0.29 1.0 0.02 0.02) = 0.046% HB3 PRO 35 - HN CYS 121 4.167% * 0.0296% (0.18 1.0 0.02 0.02) = 0.030% HB ILE 29 - HN VAL 122 4.167% * 0.0253% (0.16 1.0 0.02 0.02) = 0.025% HB3 PRO 35 - HN VAL 122 4.167% * 0.0162% (0.10 1.0 0.02 0.02) = 0.016% 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 Reference assignment not found: HN VAL 122 - HN CYS 121 Peak 371 (2.36, 8.07, 122.54 ppm): 10 chemical-shift based assignments, quality = 0.823, support = 1.93, residual support = 13.4: O HB2 CYS 121 - HN CYS 121 10.000% * 91.4971% (0.86 10.0 1.84 13.88) = 91.497% kept HB2 CYS 121 - HN VAL 122 10.000% * 8.1538% (0.47 1.0 2.99 8.96) = 8.154% kept HG3 GLU- 50 - HN CYS 121 10.000% * 0.0783% (0.67 1.0 0.02 0.02) = 0.078% HA1 GLY 58 - HN CYS 121 10.000% * 0.0679% (0.59 1.0 0.02 0.02) = 0.068% HB2 HIS+ 3 - HN CYS 121 10.000% * 0.0525% (0.45 1.0 0.02 0.02) = 0.052% HG3 GLU- 50 - HN VAL 122 10.000% * 0.0428% (0.37 1.0 0.02 0.02) = 0.043% HA1 GLY 58 - HN VAL 122 10.000% * 0.0372% (0.32 1.0 0.02 0.02) = 0.037% HB2 HIS+ 3 - HN VAL 122 10.000% * 0.0287% (0.25 1.0 0.02 0.02) = 0.029% HB2 LYS+ 78 - HN CYS 121 10.000% * 0.0269% (0.23 1.0 0.02 0.02) = 0.027% HB2 LYS+ 78 - HN VAL 122 10.000% * 0.0147% (0.13 1.0 0.02 0.02) = 0.015% Peak 372 (0.87, 8.07, 122.54 ppm): 30 chemical-shift based assignments, quality = 0.587, support = 2.33, residual support = 10.9: QG2 VAL 122 - HN CYS 121 3.333% * 27.0674% (0.93 2.19 8.96) = 27.067% kept * QG2 VAL 122 - HN VAL 122 3.333% * 20.5972% (0.51 3.05 17.64) = 20.597% kept QG1 VAL 122 - HN CYS 121 3.333% * 18.9336% (0.64 2.23 8.96) = 18.934% kept QG1 VAL 122 - HN VAL 122 3.333% * 13.2313% (0.35 2.85 17.64) = 13.231% kept HG LEU 74 - HN CYS 121 3.333% * 10.8529% (0.45 1.82 4.62) = 10.853% kept HG LEU 74 - HN VAL 122 3.333% * 5.9597% (0.25 1.83 4.52) = 5.960% kept QG2 VAL 105 - HN CYS 121 3.333% * 0.5273% (0.18 0.22 0.02) = 0.527% QG2 VAL 105 - HN VAL 122 3.333% * 0.4936% (0.10 0.37 0.02) = 0.494% QG1 VAL 40 - HN CYS 121 3.333% * 0.2216% (0.83 0.02 0.02) = 0.222% QG2 ILE 100 - HN CYS 121 3.333% * 0.2144% (0.81 0.02 0.02) = 0.214% QG2 VAL 125 - HN CYS 121 3.333% * 0.2144% (0.81 0.02 0.02) = 0.214% QD1 LEU 90 - HN CYS 121 3.333% * 0.2064% (0.78 0.02 0.02) = 0.206% QG2 VAL 47 - HN CYS 121 3.333% * 0.2064% (0.78 0.02 0.02) = 0.206% QG1 VAL 80 - HN CYS 121 3.333% * 0.1300% (0.49 0.02 0.02) = 0.130% QG1 VAL 40 - HN VAL 122 3.333% * 0.1213% (0.46 0.02 0.02) = 0.121% QG2 VAL 125 - HN VAL 122 3.333% * 0.1173% (0.44 0.02 0.02) = 0.117% QG2 ILE 100 - HN VAL 122 3.333% * 0.1173% (0.44 0.02 0.02) = 0.117% QG2 VAL 47 - HN VAL 122 3.333% * 0.1129% (0.42 0.02 0.02) = 0.113% QD1 LEU 90 - HN VAL 122 3.333% * 0.1129% (0.42 0.02 0.02) = 0.113% HB ILE 101 - HN CYS 121 3.333% * 0.1108% (0.42 0.02 0.02) = 0.111% HG3 LYS+ 117 - HN CYS 121 3.333% * 0.0763% (0.29 0.02 0.02) = 0.076% QG1 VAL 80 - HN VAL 122 3.333% * 0.0711% (0.27 0.02 0.02) = 0.071% HB ILE 101 - HN VAL 122 3.333% * 0.0606% (0.23 0.02 0.02) = 0.061% HG2 LYS+ 117 - HN CYS 121 3.333% * 0.0489% (0.18 0.02 0.02) = 0.049% QG1 VAL 47 - HN CYS 121 3.333% * 0.0433% (0.16 0.02 0.02) = 0.043% HG3 LYS+ 117 - HN VAL 122 3.333% * 0.0417% (0.16 0.02 0.02) = 0.042% QG2 VAL 13 - HN CYS 121 3.333% * 0.0381% (0.14 0.02 0.02) = 0.038% HG2 LYS+ 117 - HN VAL 122 3.333% * 0.0268% (0.10 0.02 0.02) = 0.027% QG1 VAL 47 - HN VAL 122 3.333% * 0.0237% (0.09 0.02 0.02) = 0.024% QG2 VAL 13 - HN VAL 122 3.333% * 0.0209% (0.08 0.02 0.02) = 0.021% Peak 373 (1.79, 8.20, 122.46 ppm): 15 chemical-shift based assignments, quality = 0.905, support = 3.5, residual support = 24.7: * O HB2 LYS+ 117 - HN LYS+ 117 6.667% * 34.9952% (0.98 10.0 3.46 31.30) = 34.995% kept O HB3 LYS+ 117 - HN LYS+ 117 6.667% * 34.6855% (0.97 10.0 3.46 31.30) = 34.685% kept O HB3 PRO 116 - HN LYS+ 117 6.667% * 28.0219% (0.78 10.0 3.56 8.21) = 28.022% kept HD3 LYS+ 117 - HN LYS+ 117 6.667% * 2.0319% (0.24 1.0 4.66 31.30) = 2.032% kept HB3 LYS+ 113 - HN LYS+ 117 6.667% * 0.0350% (0.98 1.0 0.02 0.02) = 0.035% HB3 LYS+ 108 - HN LYS+ 117 6.667% * 0.0349% (0.98 1.0 0.02 0.12) = 0.035% HB3 HIS+ 7 - HN LYS+ 117 6.667% * 0.0349% (0.98 1.0 0.02 0.02) = 0.035% HB3 LYS+ 44 - HN LYS+ 117 6.667% * 0.0331% (0.93 1.0 0.02 0.02) = 0.033% HB3 LYS+ 63 - HN LYS+ 117 6.667% * 0.0331% (0.93 1.0 0.02 0.02) = 0.033% HG2 PRO 31 - HN LYS+ 117 6.667% * 0.0292% (0.82 1.0 0.02 0.02) = 0.029% HB2 GLU- 109 - HN LYS+ 117 6.667% * 0.0184% (0.52 1.0 0.02 0.02) = 0.018% HD3 LYS+ 72 - HN LYS+ 117 6.667% * 0.0144% (0.40 1.0 0.02 0.02) = 0.014% HB3 GLU- 18 - HN LYS+ 117 6.667% * 0.0131% (0.37 1.0 0.02 0.02) = 0.013% HB3 ARG+ 53 - HN LYS+ 117 6.667% * 0.0131% (0.37 1.0 0.02 0.02) = 0.013% HB VAL 73 - HN LYS+ 117 6.667% * 0.0061% (0.17 1.0 0.02 0.02) = 0.006% Peak 374 (0.85, 8.20, 122.46 ppm): 13 chemical-shift based assignments, quality = 0.915, support = 3.31, residual support = 29.1: * HG3 LYS+ 117 - HN LYS+ 117 7.692% * 47.3720% (0.98 3.51 31.30) = 47.372% kept HG2 LYS+ 117 - HN LYS+ 117 7.692% * 45.7185% (0.95 3.51 31.30) = 45.718% kept HG LEU 74 - HN LYS+ 117 7.692% * 3.2095% (0.41 0.57 0.02) = 3.209% kept QG1 VAL 94 - HN LYS+ 117 7.692% * 2.3788% (0.22 0.79 0.02) = 2.379% kept HB ILE 101 - HN LYS+ 117 7.692% * 0.2604% (0.95 0.02 0.02) = 0.260% QG2 VAL 13 - HN LYS+ 117 7.692% * 0.2490% (0.90 0.02 0.02) = 0.249% QD1 LEU 90 - HN LYS+ 117 7.692% * 0.1745% (0.63 0.02 0.39) = 0.175% QG2 ILE 100 - HN LYS+ 117 7.692% * 0.1636% (0.59 0.02 0.02) = 0.164% QD1 ILE 29 - HN LYS+ 117 7.692% * 0.1527% (0.55 0.02 0.02) = 0.153% QG1 VAL 13 - HN LYS+ 117 7.692% * 0.1210% (0.44 0.02 0.02) = 0.121% QG2 VAL 122 - HN LYS+ 117 7.692% * 0.0833% (0.30 0.02 0.02) = 0.083% HG2 LYS+ 113 - HN LYS+ 117 7.692% * 0.0750% (0.27 0.02 0.02) = 0.075% HG3 LYS+ 113 - HN LYS+ 117 7.692% * 0.0416% (0.15 0.02 0.02) = 0.042% 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): 10 chemical-shift based assignments, quality = 0.777, support = 1.57, residual support = 1.61: HB3 LYS+ 20 - HN LYS+ 117 10.000% * 37.9233% (0.98 2.23 2.04) = 37.923% kept HB2 LYS+ 20 - HN LYS+ 117 10.000% * 20.8363% (0.82 1.46 2.04) = 20.836% kept QG2 THR 39 - HN LYS+ 117 10.000% * 15.7858% (0.88 1.03 0.68) = 15.786% kept HG3 LYS+ 20 - HN LYS+ 117 10.000% * 7.3335% (0.30 1.39 2.04) = 7.333% kept HD3 LYS+ 20 - HN LYS+ 117 10.000% * 7.2266% (0.30 1.37 2.04) = 7.227% kept HG13 ILE 19 - HN LYS+ 117 10.000% * 5.1702% (0.55 0.53 0.02) = 5.170% kept HG LEU 74 - HN LYS+ 117 10.000% * 4.9052% (0.50 0.57 0.02) = 4.905% kept HG2 LYS+ 78 - HN LYS+ 117 10.000% * 0.3385% (0.97 0.02 0.02) = 0.338% QB ALA 91 - HN LYS+ 117 10.000% * 0.2734% (0.78 0.02 0.29) = 0.273% HG3 ARG+ 22 - HN LYS+ 117 10.000% * 0.2071% (0.59 0.02 0.02) = 0.207% Peak 377 (4.78, 8.20, 122.46 ppm): 6 chemical-shift based assignments, quality = 0.976, support = 1.94, residual support = 7.82: * O HA PRO 116 - HN LYS+ 117 16.667% * 95.2248% (0.98 10.0 1.99 8.21) = 95.225% kept HA ASP- 115 - HN LYS+ 117 16.667% * 4.5523% (0.95 1.0 0.99 0.02) = 4.552% kept HA ASN 15 - HN LYS+ 117 16.667% * 0.0954% (0.98 1.0 0.02 0.02) = 0.095% HA LYS+ 113 - HN LYS+ 117 16.667% * 0.0882% (0.90 1.0 0.02 0.02) = 0.088% HA ASN 89 - HN LYS+ 117 16.667% * 0.0246% (0.25 1.0 0.02 0.02) = 0.025% HA VAL 40 - HN LYS+ 117 16.667% * 0.0147% (0.15 1.0 0.02 0.02) = 0.015% Peak 378 (4.36, 8.20, 122.46 ppm): 15 chemical-shift based assignments, quality = 0.97, support = 3.43, residual support = 31.0: O HA LYS+ 117 - HN LYS+ 117 6.667% * 99.0107% (0.98 10.0 3.46 31.30) = 99.011% kept HA VAL 73 - HN LYS+ 117 6.667% * 0.0988% (0.98 1.0 0.02 0.02) = 0.099% HA2 GLY 26 - HN LYS+ 117 6.667% * 0.0971% (0.96 1.0 0.02 0.02) = 0.097% HA MET 1 - HN LYS+ 117 6.667% * 0.0971% (0.96 1.0 0.02 0.02) = 0.097% HB3 HIS+ 4 - HN LYS+ 117 6.667% * 0.0914% (0.90 1.0 0.02 0.02) = 0.091% HA1 GLY 26 - HN LYS+ 117 6.667% * 0.0914% (0.90 1.0 0.02 0.02) = 0.091% HA HIS+ 3 - HN LYS+ 117 6.667% * 0.0827% (0.82 1.0 0.02 0.02) = 0.083% HA ASN 89 - HN LYS+ 117 6.667% * 0.0780% (0.77 1.0 0.02 0.02) = 0.078% HA THR 38 - HN LYS+ 117 6.667% * 0.0757% (0.75 1.0 0.02 0.02) = 0.076% HA LYS+ 60 - HN LYS+ 117 6.667% * 0.0641% (0.63 1.0 0.02 0.02) = 0.064% HA ALA 37 - HN LYS+ 117 6.667% * 0.0561% (0.55 1.0 0.02 0.02) = 0.056% HA ASN 57 - HN LYS+ 117 6.667% * 0.0521% (0.52 1.0 0.02 0.02) = 0.052% HB THR 61 - HN LYS+ 117 6.667% * 0.0407% (0.40 1.0 0.02 0.02) = 0.041% HA VAL 94 - HN LYS+ 117 6.667% * 0.0338% (0.33 1.0 0.02 0.02) = 0.034% HA TRP 51 - HN LYS+ 117 6.667% * 0.0306% (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 = 3.83, residual support = 20.0: * O HB VAL 40 - HN VAL 40 20.000% * 99.8273% (0.94 10.0 3.84 19.99) = 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 = 0.927, support = 2.97, residual support = 18.4: * QG1 VAL 40 - HN VAL 40 6.667% * 91.9336% (0.99 3.22 19.99) = 91.934% kept HG LEU 74 - HN VAL 40 6.667% * 3.7112% (0.50 0.26 0.02) = 3.711% kept QG2 VAL 125 - HN VAL 40 6.667% * 0.5697% (0.99 0.02 0.02) = 0.570% QG2 VAL 47 - HN VAL 40 6.667% * 0.5659% (0.98 0.02 0.02) = 0.566% QG1 VAL 122 - HN VAL 40 6.667% * 0.5271% (0.91 0.02 0.02) = 0.527% QG2 VAL 122 - HN VAL 40 6.667% * 0.5121% (0.89 0.02 0.02) = 0.512% QG1 VAL 80 - HN VAL 40 6.667% * 0.4572% (0.79 0.02 0.02) = 0.457% QG2 ILE 100 - HN VAL 40 6.667% * 0.3463% (0.60 0.02 0.02) = 0.346% QD1 LEU 90 - HN VAL 40 6.667% * 0.3233% (0.56 0.02 0.02) = 0.323% QG2 VAL 105 - HN VAL 40 6.667% * 0.2347% (0.41 0.02 0.02) = 0.235% QG1 VAL 47 - HN VAL 40 6.667% * 0.2143% (0.37 0.02 0.02) = 0.214% QD1 LEU 67 - HN VAL 40 6.667% * 0.1762% (0.31 0.02 0.02) = 0.176% QG2 VAL 87 - HN VAL 40 6.667% * 0.1588% (0.27 0.02 0.02) = 0.159% HG13 ILE 68 - HN VAL 40 6.667% * 0.1424% (0.25 0.02 0.02) = 0.142% HB ILE 101 - HN VAL 40 6.667% * 0.1271% (0.22 0.02 0.02) = 0.127% Peak 382 (4.73, 8.71, 122.58 ppm): 7 chemical-shift based assignments, quality = 0.272, support = 3.88, residual support = 19.7: * O HA VAL 40 - HN VAL 40 14.286% * 98.7923% (0.27 10.0 3.93 19.99) = 98.792% kept HA PRO 31 - HN VAL 40 14.286% * 0.3280% (0.91 1.0 0.02 0.02) = 0.328% HA HIS+ 7 - HN VAL 40 14.286% * 0.2968% (0.83 1.0 0.02 0.02) = 0.297% HA2 GLY 30 - HN VAL 40 14.286% * 0.2299% (0.64 1.0 0.02 0.02) = 0.230% HA MET 118 - HN VAL 40 14.286% * 0.1212% (0.34 1.0 0.02 0.02) = 0.121% HA HIS+ 5 - HN VAL 40 14.286% * 0.1212% (0.34 1.0 0.02 0.02) = 0.121% HA ASN 89 - HN VAL 40 14.286% * 0.1107% (0.31 1.0 0.02 0.02) = 0.111% Peak 383 (3.43, 8.71, 122.58 ppm): 8 chemical-shift based assignments, quality = 0.982, support = 0.993, residual support = 1.65: * O HA THR 39 - HN VAL 40 12.500% * 99.3354% (0.99 10.0 1.00 1.66) = 99.335% kept HB2 SER 69 - HN VAL 40 12.500% * 0.1879% (0.94 1.0 0.02 0.02) = 0.188% HB THR 79 - HN VAL 40 12.500% * 0.1834% (0.91 1.0 0.02 0.02) = 0.183% HA VAL 62 - HN VAL 40 12.500% * 0.1205% (0.60 1.0 0.02 0.02) = 0.120% HA ASN 89 - HN VAL 40 12.500% * 0.0713% (0.35 1.0 0.02 0.02) = 0.071% HA VAL 80 - HN VAL 40 12.500% * 0.0348% (0.17 1.0 0.02 0.02) = 0.035% HB3 TRP 51 - HN VAL 40 12.500% * 0.0348% (0.17 1.0 0.02 0.02) = 0.035% HA ILE 48 - HN VAL 40 12.500% * 0.0319% (0.16 1.0 0.02 0.02) = 0.032% Peak 384 (8.16, 8.71, 122.58 ppm): 5 chemical-shift based assignments, quality = 0.985, support = 3.33, residual support = 17.4: * T HN SER 41 - HN VAL 40 20.000% * 99.6531% (0.99 10.00 3.34 17.47) = 99.653% kept HN LYS+ 120 - HN VAL 40 20.000% * 0.2382% (0.60 1.00 0.08 0.02) = 0.238% HN SER 77 - HN VAL 40 20.000% * 0.0685% (0.68 1.00 0.02 0.02) = 0.068% HN ASN 119 - HN VAL 40 20.000% * 0.0248% (0.25 1.00 0.02 0.02) = 0.025% HN ALA 33 - HN VAL 40 20.000% * 0.0154% (0.15 1.00 0.02 0.02) = 0.015% Peak 385 (0.71, 8.71, 122.58 ppm): 14 chemical-shift based assignments, quality = 0.618, support = 2.84, residual support = 12.7: * QG2 VAL 40 - HN VAL 40 7.143% * 55.7271% (0.72 3.96 19.99) = 55.727% kept HB2 LEU 9 - HN VAL 40 7.143% * 14.9792% (0.76 1.01 3.78) = 14.979% kept QD1 LEU 9 - HN VAL 40 7.143% * 13.4199% (0.31 2.24 3.78) = 13.420% kept QD2 LEU 9 - HN VAL 40 7.143% * 13.2715% (0.48 1.41 3.78) = 13.272% kept HG LEU 74 - HN VAL 40 7.143% * 0.7189% (0.14 0.26 0.02) = 0.719% QG2 ILE 48 - HN VAL 40 7.143% * 0.3880% (0.99 0.02 0.02) = 0.388% QG2 ILE 101 - HN VAL 40 7.143% * 0.3803% (0.97 0.02 0.02) = 0.380% HG2 PRO 59 - HN VAL 40 7.143% * 0.2965% (0.76 0.02 0.02) = 0.297% HG LEU 67 - HN VAL 40 7.143% * 0.2818% (0.72 0.02 0.02) = 0.282% QD1 ILE 68 - HN VAL 40 7.143% * 0.1889% (0.48 0.02 0.02) = 0.189% QD1 ILE 19 - HN VAL 40 7.143% * 0.1079% (0.27 0.02 0.02) = 0.108% QG2 VAL 94 - HN VAL 40 7.143% * 0.0864% (0.22 0.02 0.02) = 0.086% HG12 ILE 19 - HN VAL 40 7.143% * 0.0768% (0.20 0.02 0.02) = 0.077% HG3 LYS+ 66 - HN VAL 40 7.143% * 0.0768% (0.20 0.02 0.02) = 0.077% 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 0.22 Peak unassigned. Peak 387 (8.25, 8.27, 122.56 ppm): 1 diagonal assignment: HN HIS+ 7 - HN HIS+ 7 (0.61) kept Reference assignment not found: HN HIS+ 8 - HN HIS+ 7 Peak 388 (4.83, 8.27, 122.56 ppm): 3 chemical-shift based assignments, quality = 0.57, support = 0.02, residual support = 0.02: HA MET 97 - HN HIS+ 7 33.333% * 56.6162% (0.76 0.02 0.02) = 56.616% kept HA GLU- 107 - HN HIS+ 7 33.333% * 27.8041% (0.38 0.02 0.02) = 27.804% kept HA ASN 89 - HN HIS+ 7 33.333% * 15.5797% (0.21 0.02 0.02) = 15.580% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 389 (4.74, 8.27, 122.56 ppm): 7 chemical-shift based assignments, quality = 0.979, support = 0.982, residual support = 1.84: * O HA HIS+ 7 - HN HIS+ 7 14.286% * 97.5584% (0.99 10.0 1.00 1.89) = 97.558% kept HA HIS+ 5 - HN HIS+ 7 14.286% * 1.9497% (0.61 1.0 0.33 0.02) = 1.950% kept HA PRO 31 - HN HIS+ 7 14.286% * 0.1352% (0.69 1.0 0.02 0.02) = 0.135% HA MET 118 - HN HIS+ 7 14.286% * 0.1194% (0.61 1.0 0.02 0.02) = 0.119% HA VAL 40 - HN HIS+ 7 14.286% * 0.1036% (0.53 1.0 0.02 0.02) = 0.104% HA2 GLY 30 - HN HIS+ 7 14.286% * 0.0739% (0.38 1.0 0.02 0.02) = 0.074% HA ASN 89 - HN HIS+ 7 14.286% * 0.0598% (0.30 1.0 0.02 0.02) = 0.060% Peak 390 (8.42, 8.43, 122.24 ppm): 1 diagonal assignment: HN GLU- 75 - HN GLU- 75 (0.89) kept Reference assignment not found: HN LEU 74 - HN GLU- 75 Peak 391 (2.23, 8.43, 122.24 ppm): 26 chemical-shift based assignments, quality = 0.842, support = 1.98, residual support = 14.7: * HG3 GLU- 75 - HN GLU- 75 3.846% * 78.2644% (1.00 2.47 18.79) = 78.264% kept HG3 MET 126 - HN GLU- 75 3.846% * 5.4626% (0.41 0.42 0.02) = 5.463% kept HG3 GLU- 75 - HN LYS+ 113 3.846% * 3.0117% (0.34 0.28 0.02) = 3.012% kept HA1 GLY 58 - HN GLU- 75 3.846% * 2.1500% (0.38 0.18 0.02) = 2.150% kept HA1 GLY 58 - HN LYS+ 113 3.846% * 2.0704% (0.13 0.50 0.02) = 2.070% kept HG3 GLU- 18 - HN LYS+ 113 3.846% * 2.0674% (0.23 0.28 0.17) = 2.067% kept HG3 GLU- 18 - HN GLU- 75 3.846% * 1.8608% (0.69 0.09 0.02) = 1.861% kept HB3 PRO 52 - HN GLU- 75 3.846% * 0.5855% (0.92 0.02 0.02) = 0.585% HG3 GLU- 10 - HN GLU- 75 3.846% * 0.5688% (0.89 0.02 0.02) = 0.569% HG2 GLU- 56 - HN GLU- 75 3.846% * 0.5502% (0.87 0.02 0.02) = 0.550% HG3 MET 118 - HN GLU- 75 3.846% * 0.5298% (0.83 0.02 0.02) = 0.530% HG3 GLU- 107 - HN GLU- 75 3.846% * 0.4103% (0.65 0.02 0.02) = 0.410% HB2 GLU- 50 - HN GLU- 75 3.846% * 0.3847% (0.61 0.02 0.02) = 0.385% HB VAL 80 - HN GLU- 75 3.846% * 0.3087% (0.49 0.02 0.02) = 0.309% HG3 GLU- 109 - HN GLU- 75 3.846% * 0.3087% (0.49 0.02 0.02) = 0.309% HB3 PRO 52 - HN LYS+ 113 3.846% * 0.2000% (0.31 0.02 0.02) = 0.200% HG3 GLU- 10 - HN LYS+ 113 3.846% * 0.1943% (0.31 0.02 0.02) = 0.194% HG2 GLU- 56 - HN LYS+ 113 3.846% * 0.1879% (0.30 0.02 0.02) = 0.188% HG3 MET 118 - HN LYS+ 113 3.846% * 0.1810% (0.28 0.02 0.02) = 0.181% HG3 GLU- 107 - HN LYS+ 113 3.846% * 0.1402% (0.22 0.02 0.02) = 0.140% HB2 GLU- 50 - HN LYS+ 113 3.846% * 0.1314% (0.21 0.02 0.02) = 0.131% HB VAL 80 - HN LYS+ 113 3.846% * 0.1055% (0.17 0.02 0.02) = 0.105% HG3 GLU- 109 - HN LYS+ 113 3.846% * 0.1055% (0.17 0.02 0.02) = 0.105% HG3 GLU- 54 - HN GLU- 75 3.846% * 0.0979% (0.15 0.02 0.02) = 0.098% HG3 MET 126 - HN LYS+ 113 3.846% * 0.0891% (0.14 0.02 0.02) = 0.089% HG3 GLU- 54 - HN LYS+ 113 3.846% * 0.0334% (0.05 0.02 0.02) = 0.033% Peak 392 (1.55, 8.43, 122.24 ppm): 24 chemical-shift based assignments, quality = 0.42, support = 0.858, residual support = 1.25: HB3 LEU 90 - HN GLU- 75 4.167% * 24.3177% (0.87 0.39 0.45) = 24.318% kept * HG LEU 74 - HN GLU- 75 4.167% * 23.5928% (0.14 2.38 4.49) = 23.593% kept QG2 THR 24 - HN LYS+ 113 4.167% * 13.9027% (0.34 0.57 0.43) = 13.903% kept HG LEU 17 - HN GLU- 75 4.167% * 11.7260% (0.37 0.43 0.02) = 11.726% kept HB3 LEU 90 - HN LYS+ 113 4.167% * 9.1724% (0.30 0.43 0.02) = 9.172% kept HG LEU 74 - HN LYS+ 113 4.167% * 3.2510% (0.05 0.96 0.39) = 3.251% kept HB ILE 19 - HN GLU- 75 4.167% * 2.4367% (0.34 0.10 0.02) = 2.437% kept QG2 THR 24 - HN GLU- 75 4.167% * 1.4394% (0.99 0.02 0.02) = 1.439% kept HG13 ILE 29 - HN GLU- 75 4.167% * 1.3738% (0.94 0.02 0.02) = 1.374% kept HB3 LEU 23 - HN GLU- 75 4.167% * 1.3025% (0.89 0.02 0.02) = 1.302% kept HB3 LEU 9 - HN GLU- 75 4.167% * 1.2598% (0.87 0.02 0.02) = 1.260% kept HD3 LYS+ 60 - HN LYS+ 113 4.167% * 0.9367% (0.15 0.08 0.02) = 0.937% QG2 VAL 80 - HN GLU- 75 4.167% * 0.8222% (0.56 0.02 0.02) = 0.822% HG LEU 17 - HN LYS+ 113 4.167% * 0.8179% (0.13 0.09 0.02) = 0.818% HD3 LYS+ 60 - HN GLU- 75 4.167% * 0.6511% (0.45 0.02 0.02) = 0.651% HG13 ILE 29 - HN LYS+ 113 4.167% * 0.4693% (0.32 0.02 0.02) = 0.469% HG LEU 9 - HN GLU- 75 4.167% * 0.4482% (0.31 0.02 0.02) = 0.448% HG3 LYS+ 60 - HN GLU- 75 4.167% * 0.4482% (0.31 0.02 0.02) = 0.448% HB3 LEU 23 - HN LYS+ 113 4.167% * 0.4449% (0.31 0.02 0.68) = 0.445% HB3 LEU 9 - HN LYS+ 113 4.167% * 0.4303% (0.30 0.02 0.02) = 0.430% QG2 VAL 80 - HN LYS+ 113 4.167% * 0.2809% (0.19 0.02 0.02) = 0.281% HB ILE 19 - HN LYS+ 113 4.167% * 0.1692% (0.12 0.02 0.02) = 0.169% HG LEU 9 - HN LYS+ 113 4.167% * 0.1531% (0.11 0.02 0.02) = 0.153% HG3 LYS+ 60 - HN LYS+ 113 4.167% * 0.1531% (0.11 0.02 0.02) = 0.153% Peak 393 (2.02, 8.43, 122.24 ppm): 34 chemical-shift based assignments, quality = 0.356, support = 2.84, residual support = 12.2: O HB3 GLU- 75 - HN GLU- 75 2.941% * 36.4381% (0.40 10.0 2.96 18.79) = 36.438% kept * O HB3 PRO 112 - HN LYS+ 113 2.941% * 31.2362% (0.34 10.0 2.83 8.67) = 31.236% kept O HB2 PRO 112 - HN LYS+ 113 2.941% * 30.9598% (0.34 10.0 2.83 8.67) = 30.960% kept HB3 PRO 112 - HN GLU- 75 2.941% * 0.0914% (1.00 1.0 0.02 0.02) = 0.091% HG2 PRO 116 - HN GLU- 75 2.941% * 0.0912% (1.00 1.0 0.02 0.02) = 0.091% HB2 PRO 112 - HN GLU- 75 2.941% * 0.0906% (0.99 1.0 0.02 0.02) = 0.091% HB2 LYS+ 44 - HN GLU- 75 2.941% * 0.0865% (0.94 1.0 0.02 0.02) = 0.086% HG2 GLU- 64 - HN GLU- 75 2.941% * 0.0865% (0.94 1.0 0.02 0.02) = 0.086% HB3 PRO 31 - HN GLU- 75 2.941% * 0.0865% (0.94 1.0 0.02 0.02) = 0.086% HB2 GLU- 18 - HN GLU- 75 2.941% * 0.0820% (0.89 1.0 0.02 0.02) = 0.082% HB VAL 105 - HN GLU- 75 2.941% * 0.0764% (0.83 1.0 0.02 0.02) = 0.076% HB2 HIS+ 14 - HN GLU- 75 2.941% * 0.0732% (0.80 1.0 0.02 0.02) = 0.073% HB3 GLU- 45 - HN GLU- 75 2.941% * 0.0699% (0.76 1.0 0.02 0.02) = 0.070% HG2 PRO 86 - HN GLU- 75 2.941% * 0.0664% (0.72 1.0 0.02 0.02) = 0.066% HB3 GLU- 107 - HN GLU- 75 2.941% * 0.0555% (0.61 1.0 0.02 0.02) = 0.055% HB3 LYS+ 110 - HN GLU- 75 2.941% * 0.0410% (0.45 1.0 0.02 0.02) = 0.041% HG2 PRO 116 - HN LYS+ 113 2.941% * 0.0312% (0.34 1.0 0.02 0.02) = 0.031% HB2 LYS+ 44 - HN LYS+ 113 2.941% * 0.0295% (0.32 1.0 0.02 0.02) = 0.030% HB3 PRO 31 - HN LYS+ 113 2.941% * 0.0295% (0.32 1.0 0.02 0.02) = 0.030% HG2 GLU- 64 - HN LYS+ 113 2.941% * 0.0295% (0.32 1.0 0.02 0.02) = 0.030% HB2 GLU- 18 - HN LYS+ 113 2.941% * 0.0280% (0.31 1.0 0.02 0.17) = 0.028% HB VAL 105 - HN LYS+ 113 2.941% * 0.0261% (0.28 1.0 0.02 0.02) = 0.026% HB2 HIS+ 14 - HN LYS+ 113 2.941% * 0.0250% (0.27 1.0 0.02 0.02) = 0.025% HB3 GLU- 45 - HN LYS+ 113 2.941% * 0.0239% (0.26 1.0 0.02 0.02) = 0.024% HG3 PRO 86 - HN GLU- 75 2.941% * 0.0228% (0.25 1.0 0.02 0.02) = 0.023% HB VAL 62 - HN GLU- 75 2.941% * 0.0228% (0.25 1.0 0.02 0.02) = 0.023% HG2 PRO 86 - HN LYS+ 113 2.941% * 0.0227% (0.25 1.0 0.02 0.02) = 0.023% HB3 GLU- 107 - HN LYS+ 113 2.941% * 0.0189% (0.21 1.0 0.02 0.02) = 0.019% HB3 LYS+ 110 - HN LYS+ 113 2.941% * 0.0140% (0.15 1.0 0.02 0.02) = 0.014% HB3 GLU- 75 - HN LYS+ 113 2.941% * 0.0124% (0.14 1.0 0.02 0.02) = 0.012% HB3 GLU- 10 - HN GLU- 75 2.941% * 0.0124% (0.14 1.0 0.02 0.02) = 0.012% HB VAL 62 - HN LYS+ 113 2.941% * 0.0078% (0.08 1.0 0.02 0.02) = 0.008% HG3 PRO 86 - HN LYS+ 113 2.941% * 0.0078% (0.08 1.0 0.02 0.02) = 0.008% HB3 GLU- 10 - HN LYS+ 113 2.941% * 0.0042% (0.05 1.0 0.02 0.02) = 0.004% Peak 394 (1.40, 8.43, 122.24 ppm): 22 chemical-shift based assignments, quality = 0.641, support = 1.45, residual support = 1.43: HD3 LYS+ 20 - HN GLU- 75 4.545% * 39.1727% (1.00 1.38 0.12) = 39.173% kept HG LEU 74 - HN GLU- 75 4.545% * 29.8335% (0.44 2.38 4.49) = 29.833% kept HB3 LYS+ 20 - HN GLU- 75 4.545% * 8.8057% (0.31 1.01 0.12) = 8.806% kept HB2 LYS+ 20 - HN GLU- 75 4.545% * 8.2110% (0.61 0.48 0.12) = 8.211% kept QG2 THR 39 - HN GLU- 75 4.545% * 6.9437% (0.52 0.46 0.02) = 6.944% kept HG LEU 74 - HN LYS+ 113 4.545% * 4.1109% (0.15 0.96 0.39) = 4.111% kept QB ALA 42 - HN GLU- 75 4.545% * 0.4122% (0.72 0.02 0.02) = 0.412% QG2 THR 38 - HN GLU- 75 4.545% * 0.3673% (0.65 0.02 0.02) = 0.367% QB ALA 37 - HN GLU- 75 4.545% * 0.3673% (0.65 0.02 0.02) = 0.367% HG3 LYS+ 108 - HN LYS+ 113 4.545% * 0.3197% (0.08 0.13 0.02) = 0.320% HG2 LYS+ 78 - HN GLU- 75 4.545% * 0.1936% (0.34 0.02 0.02) = 0.194% HD3 LYS+ 20 - HN LYS+ 113 4.545% * 0.1935% (0.34 0.02 0.02) = 0.193% HD3 LYS+ 44 - HN GLU- 75 4.545% * 0.1416% (0.25 0.02 0.02) = 0.142% HG3 LYS+ 108 - HN GLU- 75 4.545% * 0.1416% (0.25 0.02 0.02) = 0.142% QB ALA 42 - HN LYS+ 113 4.545% * 0.1408% (0.25 0.02 0.02) = 0.141% QG2 THR 38 - HN LYS+ 113 4.545% * 0.1255% (0.22 0.02 0.02) = 0.125% QB ALA 37 - HN LYS+ 113 4.545% * 0.1255% (0.22 0.02 0.02) = 0.125% HB2 LYS+ 20 - HN LYS+ 113 4.545% * 0.1176% (0.21 0.02 0.02) = 0.118% QG2 THR 39 - HN LYS+ 113 4.545% * 0.1020% (0.18 0.02 0.02) = 0.102% HG2 LYS+ 78 - HN LYS+ 113 4.545% * 0.0662% (0.12 0.02 0.02) = 0.066% HB3 LYS+ 20 - HN LYS+ 113 4.545% * 0.0599% (0.11 0.02 0.02) = 0.060% HD3 LYS+ 44 - HN LYS+ 113 4.545% * 0.0484% (0.08 0.02 0.02) = 0.048% Peak 395 (1.92, 8.43, 122.24 ppm): 30 chemical-shift based assignments, quality = 0.325, support = 2.78, residual support = 16.6: * O HB2 GLU- 75 - HN GLU- 75 3.333% * 84.4730% (0.34 10.0 2.89 18.79) = 84.473% kept HG2 PRO 112 - HN LYS+ 113 3.333% * 8.7505% (0.19 1.0 3.65 8.67) = 8.750% kept HB2 LEU 23 - HN LYS+ 113 3.333% * 2.0911% (0.34 1.0 0.49 0.68) = 2.091% kept HB3 GLU- 54 - HN GLU- 75 3.333% * 2.0488% (0.69 1.0 0.24 0.02) = 2.049% kept HB2 LEU 23 - HN GLU- 75 3.333% * 0.2476% (1.00 1.0 0.02 0.02) = 0.248% HB3 GLU- 56 - HN GLU- 75 3.333% * 0.2471% (1.00 1.0 0.02 0.02) = 0.247% HB3 PRO 35 - HN GLU- 75 3.333% * 0.2427% (0.98 1.0 0.02 0.02) = 0.243% HB ILE 29 - HN GLU- 75 3.333% * 0.2221% (0.89 1.0 0.02 0.02) = 0.222% HD3 LYS+ 63 - HN GLU- 75 3.333% * 0.2221% (0.89 1.0 0.02 0.02) = 0.222% HB3 GLN 102 - HN GLU- 75 3.333% * 0.1798% (0.72 1.0 0.02 0.11) = 0.180% HB2 PRO 116 - HN GLU- 75 3.333% * 0.1602% (0.65 1.0 0.02 0.02) = 0.160% HG2 PRO 112 - HN GLU- 75 3.333% * 0.1402% (0.56 1.0 0.02 0.02) = 0.140% HB3 MET 118 - HN GLU- 75 3.333% * 0.1303% (0.52 1.0 0.02 0.02) = 0.130% HB3 GLU- 56 - HN LYS+ 113 3.333% * 0.0844% (0.34 1.0 0.02 0.02) = 0.084% HB3 PRO 35 - HN LYS+ 113 3.333% * 0.0829% (0.33 1.0 0.02 0.02) = 0.083% HB3 CYS 123 - HN GLU- 75 3.333% * 0.0764% (0.31 1.0 0.02 0.02) = 0.076% HB ILE 29 - HN LYS+ 113 3.333% * 0.0759% (0.31 1.0 0.02 0.02) = 0.076% HD3 LYS+ 63 - HN LYS+ 113 3.333% * 0.0759% (0.31 1.0 0.02 0.02) = 0.076% HB3 GLN 102 - HN LYS+ 113 3.333% * 0.0614% (0.25 1.0 0.02 0.02) = 0.061% HB3 GLU- 54 - HN LYS+ 113 3.333% * 0.0581% (0.23 1.0 0.02 0.02) = 0.058% HB2 PRO 116 - HN LYS+ 113 3.333% * 0.0547% (0.22 1.0 0.02 0.02) = 0.055% HB3 LYS+ 55 - HN GLU- 75 3.333% * 0.0490% (0.20 1.0 0.02 0.02) = 0.049% HB3 MET 118 - HN LYS+ 113 3.333% * 0.0445% (0.18 1.0 0.02 0.02) = 0.045% HG3 PRO 31 - HN GLU- 75 3.333% * 0.0434% (0.17 1.0 0.02 0.02) = 0.043% HG2 GLU- 18 - HN GLU- 75 3.333% * 0.0382% (0.15 1.0 0.02 0.02) = 0.038% HB2 GLU- 75 - HN LYS+ 113 3.333% * 0.0289% (0.12 1.0 0.02 0.02) = 0.029% HB3 CYS 123 - HN LYS+ 113 3.333% * 0.0261% (0.11 1.0 0.02 0.02) = 0.026% HB3 LYS+ 55 - HN LYS+ 113 3.333% * 0.0167% (0.07 1.0 0.02 0.02) = 0.017% HG3 PRO 31 - HN LYS+ 113 3.333% * 0.0148% (0.06 1.0 0.02 0.02) = 0.015% HG2 GLU- 18 - HN LYS+ 113 3.333% * 0.0131% (0.05 1.0 0.02 0.17) = 0.013% Peak 396 (0.82, 8.43, 122.24 ppm): 28 chemical-shift based assignments, quality = 0.457, support = 1.45, residual support = 4.55: HG LEU 74 - HN GLU- 75 3.571% * 21.9447% (0.35 2.38 4.49) = 21.945% kept * HG3 LYS+ 113 - HN LYS+ 113 3.571% * 17.3739% (0.34 1.92 10.28) = 17.374% kept QD2 LEU 67 - HN GLU- 75 3.571% * 16.6359% (0.69 0.91 0.02) = 16.636% kept HG2 LYS+ 113 - HN LYS+ 113 3.571% * 16.4062% (0.32 1.91 10.28) = 16.406% kept QD2 LEU 90 - HN GLU- 75 3.571% * 14.6896% (0.92 0.60 0.45) = 14.690% kept HG LEU 74 - HN LYS+ 113 3.571% * 3.0239% (0.12 0.96 0.39) = 3.024% kept QG1 VAL 94 - HN LYS+ 113 3.571% * 2.8185% (0.33 0.32 0.22) = 2.819% kept QD2 LEU 90 - HN LYS+ 113 3.571% * 2.0733% (0.31 0.25 0.02) = 2.073% kept QD2 LEU 17 - HN LYS+ 113 3.571% * 0.7809% (0.33 0.09 0.02) = 0.781% HG3 LYS+ 113 - HN GLU- 75 3.571% * 0.5309% (1.00 0.02 0.02) = 0.531% QG1 VAL 94 - HN GLU- 75 3.571% * 0.5204% (0.98 0.02 0.02) = 0.520% QD2 LEU 17 - HN GLU- 75 3.571% * 0.5204% (0.98 0.02 0.02) = 0.520% HG2 LYS+ 113 - HN GLU- 75 3.571% * 0.5022% (0.94 0.02 0.02) = 0.502% QG1 VAL 13 - HN GLU- 75 3.571% * 0.4251% (0.80 0.02 0.02) = 0.425% QD1 ILE 29 - HN GLU- 75 3.571% * 0.3647% (0.69 0.02 0.02) = 0.365% QB ALA 93 - HN GLU- 75 3.571% * 0.2584% (0.49 0.02 0.02) = 0.258% QG2 VAL 13 - HN GLU- 75 3.571% * 0.1639% (0.31 0.02 0.02) = 0.164% QG1 VAL 13 - HN LYS+ 113 3.571% * 0.1452% (0.27 0.02 0.02) = 0.145% HG2 LYS+ 117 - HN GLU- 75 3.571% * 0.1324% (0.25 0.02 0.02) = 0.132% QD2 LEU 67 - HN LYS+ 113 3.571% * 0.1246% (0.23 0.02 0.02) = 0.125% QD1 ILE 29 - HN LYS+ 113 3.571% * 0.1246% (0.23 0.02 0.02) = 0.125% QD1 ILE 100 - HN GLU- 75 3.571% * 0.1051% (0.20 0.02 0.02) = 0.105% QB ALA 93 - HN LYS+ 113 3.571% * 0.0883% (0.17 0.02 0.02) = 0.088% HG3 LYS+ 117 - HN GLU- 75 3.571% * 0.0819% (0.15 0.02 0.02) = 0.082% QG2 VAL 13 - HN LYS+ 113 3.571% * 0.0560% (0.11 0.02 0.02) = 0.056% HG2 LYS+ 117 - HN LYS+ 113 3.571% * 0.0452% (0.08 0.02 0.02) = 0.045% QD1 ILE 100 - HN LYS+ 113 3.571% * 0.0359% (0.07 0.02 0.11) = 0.036% HG3 LYS+ 117 - HN LYS+ 113 3.571% * 0.0280% (0.05 0.02 0.02) = 0.028% 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): 4 chemical-shift based assignments, quality = 0.0746, support = 0.487, residual support = 0.404: HA ASN 89 - HN LYS+ 113 25.000% * 51.8202% (0.05 0.69 0.63) = 51.820% kept HA HIS+ 7 - HN LYS+ 113 25.000% * 39.2603% (0.09 0.32 0.19) = 39.260% kept HA PRO 31 - HN LYS+ 113 25.000% * 4.6183% (0.16 0.02 0.02) = 4.618% kept HA2 GLY 30 - HN LYS+ 113 25.000% * 4.3013% (0.15 0.02 0.02) = 4.301% kept Not enough quality. Peak unassigned. Peak 399 (4.81, 8.50, 122.19 ppm): 4 chemical-shift based assignments, quality = 0.0402, support = 2.2, residual support = 9.91: O HA LYS+ 113 - HN LYS+ 113 25.000% * 96.2418% (0.04 10.0 2.27 10.28) = 96.242% kept HA ASN 89 - HN LYS+ 113 25.000% * 3.0632% (0.04 1.0 0.69 0.63) = 3.063% kept HA GLU- 107 - HN LYS+ 113 25.000% * 0.3860% (0.16 1.0 0.02 0.02) = 0.386% HA MET 97 - HN LYS+ 113 25.000% * 0.3091% (0.13 1.0 0.02 0.02) = 0.309% Peak 400 (1.84, 8.50, 122.19 ppm): 10 chemical-shift based assignments, quality = 0.151, support = 2.36, residual support = 6.86: * HG3 PRO 112 - HN LYS+ 113 10.000% * 78.7733% (0.16 2.87 8.67) = 78.773% kept HB VAL 73 - HN LYS+ 113 10.000% * 12.9361% (0.11 0.73 0.24) = 12.936% kept HB3 PRO 59 - HN LYS+ 113 10.000% * 2.3141% (0.16 0.08 0.02) = 2.314% kept HB2 PRO 104 - HN LYS+ 113 10.000% * 2.2882% (0.10 0.14 0.02) = 2.288% kept HB2 PRO 59 - HN LYS+ 113 10.000% * 2.1891% (0.15 0.08 0.02) = 2.189% kept HB2 LYS+ 66 - HN LYS+ 113 10.000% * 0.5303% (0.16 0.02 0.02) = 0.530% HB3 LYS+ 72 - HN LYS+ 113 10.000% * 0.3555% (0.11 0.02 0.02) = 0.355% HD3 LYS+ 117 - HN LYS+ 113 10.000% * 0.2891% (0.09 0.02 0.02) = 0.289% HD3 LYS+ 72 - HN LYS+ 113 10.000% * 0.1874% (0.06 0.02 0.02) = 0.187% HB2 GLU- 109 - HN LYS+ 113 10.000% * 0.1370% (0.04 0.02 0.02) = 0.137% Peak 401 (4.40, 8.50, 122.19 ppm): 12 chemical-shift based assignments, quality = 0.131, support = 0.476, residual support = 0.332: HA ASN 89 - HN LYS+ 113 8.333% * 41.0332% (0.12 0.69 0.63) = 41.033% kept HA SER 88 - HN LYS+ 113 8.333% * 27.3489% (0.15 0.38 0.02) = 27.349% kept HA VAL 73 - HN LYS+ 113 8.333% * 25.5967% (0.15 0.34 0.24) = 25.597% kept HA THR 24 - HN LYS+ 113 8.333% * 1.0998% (0.11 0.02 0.43) = 1.100% kept HA HIS+ 14 - HN LYS+ 113 8.333% * 1.0358% (0.11 0.02 0.02) = 1.036% kept HA TRP 51 - HN LYS+ 113 8.333% * 0.9065% (0.09 0.02 0.02) = 0.906% HA LYS+ 66 - HN LYS+ 113 8.333% * 0.6582% (0.07 0.02 0.02) = 0.658% HA CYS 121 - HN LYS+ 113 8.333% * 0.6009% (0.06 0.02 0.02) = 0.601% HA ASN 57 - HN LYS+ 113 8.333% * 0.5461% (0.06 0.02 0.02) = 0.546% HA ALA 37 - HN LYS+ 113 8.333% * 0.4942% (0.05 0.02 0.02) = 0.494% HA LYS+ 60 - HN LYS+ 113 8.333% * 0.3992% (0.04 0.02 0.02) = 0.399% HA THR 38 - HN LYS+ 113 8.333% * 0.2804% (0.03 0.02 0.02) = 0.280% Not enough quality. Peak unassigned. Peak 402 (2.20, 8.50, 122.19 ppm): 16 chemical-shift based assignments, quality = 0.16, support = 2.32, residual support = 10.1: * O HB2 LYS+ 113 - HN LYS+ 113 6.250% * 98.0349% (0.16 10.0 2.37 10.28) = 98.035% kept HA1 GLY 58 - HN LYS+ 113 6.250% * 0.7988% (0.05 1.0 0.50 0.02) = 0.799% HG3 GLU- 18 - HN LYS+ 113 6.250% * 0.5599% (0.07 1.0 0.28 0.17) = 0.560% HG3 GLU- 54 - HN LYS+ 113 6.250% * 0.0946% (0.16 1.0 0.02 0.02) = 0.095% HG2 MET 126 - HN LYS+ 113 6.250% * 0.0927% (0.15 1.0 0.02 0.02) = 0.093% HG3 MET 126 - HN LYS+ 113 6.250% * 0.0673% (0.11 1.0 0.02 0.02) = 0.067% HG3 GLU- 109 - HN LYS+ 113 6.250% * 0.0595% (0.10 1.0 0.02 0.02) = 0.059% HB2 GLU- 50 - HN LYS+ 113 6.250% * 0.0477% (0.08 1.0 0.02 0.02) = 0.048% HG3 GLU- 107 - HN LYS+ 113 6.250% * 0.0440% (0.07 1.0 0.02 0.02) = 0.044% HB3 PRO 104 - HN LYS+ 113 6.250% * 0.0440% (0.07 1.0 0.02 0.02) = 0.044% HG2 GLN 16 - HN LYS+ 113 6.250% * 0.0403% (0.07 1.0 0.02 0.02) = 0.040% HG3 MET 118 - HN LYS+ 113 6.250% * 0.0273% (0.05 1.0 0.02 0.02) = 0.027% HB2 ASP- 82 - HN LYS+ 113 6.250% * 0.0273% (0.05 1.0 0.02 0.02) = 0.027% HG2 GLN 102 - HN LYS+ 113 6.250% * 0.0244% (0.04 1.0 0.02 0.02) = 0.024% HB3 PRO 52 - HN LYS+ 113 6.250% * 0.0194% (0.03 1.0 0.02 0.02) = 0.019% HB3 GLU- 75 - HN LYS+ 113 6.250% * 0.0179% (0.03 1.0 0.02 0.02) = 0.018% Peak 403 (4.26, 8.50, 122.19 ppm): 17 chemical-shift based assignments, quality = 0.132, support = 0.628, residual support = 0.536: HA2 GLY 114 - HN LYS+ 113 5.882% * 33.1124% (0.13 1.11 1.10) = 33.112% kept HA ASN 89 - HN LYS+ 113 5.882% * 23.1764% (0.15 0.69 0.63) = 23.176% kept HA ARG+ 84 - HN LYS+ 113 5.882% * 10.8506% (0.15 0.32 0.02) = 10.851% kept HA GLU- 75 - HN LYS+ 113 5.882% * 10.3396% (0.16 0.28 0.02) = 10.340% kept HA VAL 73 - HN LYS+ 113 5.882% * 7.3397% (0.10 0.34 0.24) = 7.340% kept HA SER 85 - HN LYS+ 113 5.882% * 3.0636% (0.13 0.10 0.02) = 3.064% kept HA ALA 91 - HN LYS+ 113 5.882% * 2.7089% (0.12 0.10 0.02) = 2.709% kept HA PRO 52 - HN LYS+ 113 5.882% * 2.6223% (0.13 0.09 0.02) = 2.622% kept HD3 PRO 59 - HN LYS+ 113 5.882% * 2.5139% (0.13 0.08 0.02) = 2.514% kept HA PRO 59 - HN LYS+ 113 5.882% * 1.5282% (0.08 0.08 0.02) = 1.528% kept HA GLU- 56 - HN LYS+ 113 5.882% * 0.6686% (0.15 0.02 0.02) = 0.669% HA VAL 65 - HN LYS+ 113 5.882% * 0.6466% (0.14 0.02 0.02) = 0.647% HA HIS+ 4 - HN LYS+ 113 5.882% * 0.5121% (0.11 0.02 0.02) = 0.512% HA LYS+ 108 - HN LYS+ 113 5.882% * 0.3922% (0.09 0.02 0.02) = 0.392% HA THR 106 - HN LYS+ 113 5.882% * 0.2301% (0.05 0.02 0.02) = 0.230% HA HIS+ 8 - HN LYS+ 113 5.882% * 0.1475% (0.03 0.02 0.02) = 0.148% HA LEU 90 - HN LYS+ 113 5.882% * 0.1475% (0.03 0.02 0.02) = 0.148% Not enough quality. Peak unassigned. Peak 404 (4.79, 8.45, 122.40 ppm): 14 chemical-shift based assignments, quality = 0.647, support = 2.22, residual support = 10.1: * O HA LYS+ 113 - HN LYS+ 113 7.143% * 97.8602% (0.66 10.0 2.27 10.28) = 97.860% kept HA ASN 89 - HN LYS+ 113 7.143% * 0.9283% (0.18 1.0 0.69 0.63) = 0.928% HA ASN 89 - HN GLU- 75 7.143% * 0.7204% (0.10 1.0 0.93 0.02) = 0.720% HA PRO 116 - HN LYS+ 113 7.143% * 0.0750% (0.51 1.0 0.02 0.02) = 0.075% HA ASN 15 - HN LYS+ 113 7.143% * 0.0706% (0.48 1.0 0.02 0.02) = 0.071% HA ASP- 115 - HN LYS+ 113 7.143% * 0.0574% (0.39 1.0 0.02 0.02) = 0.057% HA LYS+ 113 - HN GLU- 75 7.143% * 0.0566% (0.38 1.0 0.02 0.02) = 0.057% HA GLU- 107 - HN LYS+ 113 7.143% * 0.0531% (0.36 1.0 0.02 0.02) = 0.053% HA PRO 116 - HN GLU- 75 7.143% * 0.0434% (0.29 1.0 0.02 0.02) = 0.043% HA ASN 15 - HN GLU- 75 7.143% * 0.0409% (0.28 1.0 0.02 0.02) = 0.041% HA ASP- 115 - HN GLU- 75 7.143% * 0.0332% (0.22 1.0 0.02 0.02) = 0.033% HA GLU- 107 - HN GLU- 75 7.143% * 0.0307% (0.21 1.0 0.02 0.02) = 0.031% HA MET 97 - HN LYS+ 113 7.143% * 0.0191% (0.13 1.0 0.02 0.02) = 0.019% HA MET 97 - HN GLU- 75 7.143% * 0.0111% (0.07 1.0 0.02 0.02) = 0.011% Peak 405 (2.02, 8.45, 122.40 ppm): 34 chemical-shift based assignments, quality = 0.669, support = 2.82, residual support = 9.69: * O HB2 PRO 112 - HN LYS+ 113 2.941% * 44.4522% (0.74 10.0 2.83 8.67) = 44.452% kept O HB3 PRO 112 - HN LYS+ 113 2.941% * 44.0588% (0.73 10.0 2.83 8.67) = 44.059% kept O HB3 GLU- 75 - HN GLU- 75 2.941% * 10.7419% (0.18 10.0 2.96 18.79) = 10.742% kept HG2 PRO 116 - HN LYS+ 113 2.941% * 0.0436% (0.72 1.0 0.02 0.02) = 0.044% HB2 LYS+ 44 - HN LYS+ 113 2.941% * 0.0436% (0.72 1.0 0.02 0.02) = 0.044% HB3 PRO 31 - HN LYS+ 113 2.941% * 0.0436% (0.72 1.0 0.02 0.02) = 0.044% HG2 GLU- 64 - HN LYS+ 113 2.941% * 0.0399% (0.66 1.0 0.02 0.02) = 0.040% HB2 GLU- 18 - HN LYS+ 113 2.941% * 0.0371% (0.62 1.0 0.02 0.17) = 0.037% HB3 GLU- 45 - HN LYS+ 113 2.941% * 0.0371% (0.62 1.0 0.02 0.02) = 0.037% HB VAL 105 - HN LYS+ 113 2.941% * 0.0340% (0.56 1.0 0.02 0.02) = 0.034% HB2 HIS+ 14 - HN LYS+ 113 2.941% * 0.0323% (0.54 1.0 0.02 0.02) = 0.032% HB3 GLU- 107 - HN LYS+ 113 2.941% * 0.0305% (0.51 1.0 0.02 0.02) = 0.031% HG2 PRO 86 - HN LYS+ 113 2.941% * 0.0288% (0.48 1.0 0.02 0.02) = 0.029% HB2 PRO 112 - HN GLU- 75 2.941% * 0.0257% (0.43 1.0 0.02 0.02) = 0.026% HB3 PRO 112 - HN GLU- 75 2.941% * 0.0255% (0.42 1.0 0.02 0.02) = 0.026% HG2 PRO 116 - HN GLU- 75 2.941% * 0.0252% (0.42 1.0 0.02 0.02) = 0.025% HB2 LYS+ 44 - HN GLU- 75 2.941% * 0.0252% (0.42 1.0 0.02 0.02) = 0.025% HB3 PRO 31 - HN GLU- 75 2.941% * 0.0252% (0.42 1.0 0.02 0.02) = 0.025% HB3 LYS+ 110 - HN LYS+ 113 2.941% * 0.0234% (0.39 1.0 0.02 0.02) = 0.023% HG2 GLU- 64 - HN GLU- 75 2.941% * 0.0231% (0.38 1.0 0.02 0.02) = 0.023% HB2 GLU- 18 - HN GLU- 75 2.941% * 0.0215% (0.36 1.0 0.02 0.02) = 0.021% HB3 GLU- 45 - HN GLU- 75 2.941% * 0.0215% (0.36 1.0 0.02 0.02) = 0.021% HB VAL 105 - HN GLU- 75 2.941% * 0.0197% (0.33 1.0 0.02 0.02) = 0.020% HB2 HIS+ 14 - HN GLU- 75 2.941% * 0.0187% (0.31 1.0 0.02 0.02) = 0.019% HB3 GLU- 75 - HN LYS+ 113 2.941% * 0.0186% (0.31 1.0 0.02 0.02) = 0.019% HB3 GLU- 107 - HN GLU- 75 2.941% * 0.0177% (0.29 1.0 0.02 0.02) = 0.018% HG2 PRO 86 - HN GLU- 75 2.941% * 0.0166% (0.28 1.0 0.02 0.02) = 0.017% HB VAL 62 - HN LYS+ 113 2.941% * 0.0137% (0.23 1.0 0.02 0.02) = 0.014% HG3 PRO 86 - HN LYS+ 113 2.941% * 0.0137% (0.23 1.0 0.02 0.02) = 0.014% HB3 LYS+ 110 - HN GLU- 75 2.941% * 0.0135% (0.22 1.0 0.02 0.02) = 0.014% HG3 PRO 86 - HN GLU- 75 2.941% * 0.0079% (0.13 1.0 0.02 0.02) = 0.008% HB VAL 62 - HN GLU- 75 2.941% * 0.0079% (0.13 1.0 0.02 0.02) = 0.008% HB3 GLU- 10 - HN LYS+ 113 2.941% * 0.0078% (0.13 1.0 0.02 0.02) = 0.008% HB3 GLU- 10 - HN GLU- 75 2.941% * 0.0045% (0.07 1.0 0.02 0.02) = 0.005% Peak 406 (0.83, 8.45, 122.40 ppm): 28 chemical-shift based assignments, quality = 0.577, support = 1.58, residual support = 7.0: * HG2 LYS+ 113 - HN LYS+ 113 3.571% * 32.8022% (0.74 1.91 10.28) = 32.802% kept HG3 LYS+ 113 - HN LYS+ 113 3.571% * 31.0839% (0.70 1.92 10.28) = 31.084% kept HG LEU 74 - HN GLU- 75 3.571% * 8.4924% (0.15 2.38 4.49) = 8.492% kept HG LEU 74 - HN LYS+ 113 3.571% * 5.9184% (0.27 0.96 0.39) = 5.918% kept QG1 VAL 94 - HN LYS+ 113 3.571% * 5.3903% (0.73 0.32 0.22) = 5.390% kept QD2 LEU 90 - HN GLU- 75 3.571% * 4.5478% (0.33 0.60 0.45) = 4.548% kept QD2 LEU 67 - HN GLU- 75 3.571% * 4.4084% (0.21 0.91 0.02) = 4.408% kept QD2 LEU 90 - HN LYS+ 113 3.571% * 3.2464% (0.56 0.25 0.02) = 3.246% kept QD2 LEU 17 - HN LYS+ 113 3.571% * 1.3070% (0.64 0.09 0.02) = 1.307% kept QG1 VAL 13 - HN LYS+ 113 3.571% * 0.3245% (0.70 0.02 0.02) = 0.324% QD1 ILE 29 - HN LYS+ 113 3.571% * 0.2975% (0.64 0.02 0.02) = 0.298% HG2 LYS+ 113 - HN GLU- 75 3.571% * 0.1985% (0.43 0.02 0.02) = 0.199% QG1 VAL 94 - HN GLU- 75 3.571% * 0.1968% (0.42 0.02 0.02) = 0.197% HG3 LYS+ 113 - HN GLU- 75 3.571% * 0.1878% (0.40 0.02 0.02) = 0.188% QG1 VAL 13 - HN GLU- 75 3.571% * 0.1878% (0.40 0.02 0.02) = 0.188% QD1 ILE 29 - HN GLU- 75 3.571% * 0.1722% (0.37 0.02 0.02) = 0.172% QD2 LEU 17 - HN GLU- 75 3.571% * 0.1722% (0.37 0.02 0.02) = 0.172% QD2 LEU 67 - HN LYS+ 113 3.571% * 0.1670% (0.36 0.02 0.02) = 0.167% QG2 VAL 13 - HN LYS+ 113 3.571% * 0.1670% (0.36 0.02 0.02) = 0.167% HG2 LYS+ 117 - HN LYS+ 113 3.571% * 0.1410% (0.30 0.02 0.02) = 0.141% QB ALA 93 - HN LYS+ 113 3.571% * 0.1059% (0.23 0.02 0.02) = 0.106% QG2 VAL 13 - HN GLU- 75 3.571% * 0.0966% (0.21 0.02 0.02) = 0.097% HG3 LYS+ 117 - HN LYS+ 113 3.571% * 0.0954% (0.20 0.02 0.02) = 0.095% HG2 LYS+ 117 - HN GLU- 75 3.571% * 0.0816% (0.18 0.02 0.02) = 0.082% QB ALA 93 - HN GLU- 75 3.571% * 0.0613% (0.13 0.02 0.02) = 0.061% HB ILE 101 - HN LYS+ 113 3.571% * 0.0601% (0.13 0.02 0.02) = 0.060% HG3 LYS+ 117 - HN GLU- 75 3.571% * 0.0552% (0.12 0.02 0.02) = 0.055% HB ILE 101 - HN GLU- 75 3.571% * 0.0348% (0.07 0.02 3.08) = 0.035% Peak 407 (4.30, 8.45, 122.40 ppm): 26 chemical-shift based assignments, quality = 0.327, support = 1.79, residual support = 6.82: * O HA PRO 112 - HN LYS+ 113 3.846% * 77.9686% (0.30 10.0 2.12 8.67) = 77.969% kept HA ASN 89 - HN LYS+ 113 3.846% * 5.6688% (0.63 1.0 0.69 0.63) = 5.669% kept HA ASN 89 - HN GLU- 75 3.846% * 4.3995% (0.37 1.0 0.93 0.02) = 4.400% kept HA LEU 90 - HN GLU- 75 3.846% * 3.3669% (0.38 1.0 0.68 0.45) = 3.367% kept HA VAL 73 - HN GLU- 75 3.846% * 3.3349% (0.33 1.0 0.77 0.02) = 3.335% kept HA VAL 73 - HN LYS+ 113 3.846% * 2.5026% (0.58 1.0 0.34 0.24) = 2.503% kept HA ARG+ 84 - HN LYS+ 113 3.846% * 0.6091% (0.15 1.0 0.32 0.02) = 0.609% HA ALA 91 - HN LYS+ 113 3.846% * 0.2783% (0.23 1.0 0.10 0.02) = 0.278% HA SER 85 - HN LYS+ 113 3.846% * 0.2706% (0.20 1.0 0.10 0.02) = 0.271% HA PRO 52 - HN LYS+ 113 3.846% * 0.2316% (0.20 1.0 0.09 0.02) = 0.232% HD3 PRO 59 - HN LYS+ 113 3.846% * 0.2221% (0.20 1.0 0.08 0.02) = 0.222% HA PRO 104 - HN LYS+ 113 3.846% * 0.1794% (0.70 1.0 0.02 0.02) = 0.179% HA LEU 90 - HN LYS+ 113 3.846% * 0.1701% (0.66 1.0 0.02 0.02) = 0.170% HA THR 106 - HN LYS+ 113 3.846% * 0.1449% (0.56 1.0 0.02 0.02) = 0.145% HA ILE 29 - HN LYS+ 113 3.846% * 0.1303% (0.51 1.0 0.02 0.02) = 0.130% HA PRO 104 - HN GLU- 75 3.846% * 0.1038% (0.40 1.0 0.02 0.02) = 0.104% HA THR 106 - HN GLU- 75 3.846% * 0.0839% (0.33 1.0 0.02 0.02) = 0.084% HA ILE 29 - HN GLU- 75 3.846% * 0.0754% (0.29 1.0 0.02 0.02) = 0.075% HA PRO 112 - HN GLU- 75 3.846% * 0.0451% (0.18 1.0 0.02 0.02) = 0.045% HA VAL 65 - HN LYS+ 113 3.846% * 0.0422% (0.16 1.0 0.02 0.02) = 0.042% HA ALA 91 - HN GLU- 75 3.846% * 0.0339% (0.13 1.0 0.02 0.02) = 0.034% HD3 PRO 59 - HN GLU- 75 3.846% * 0.0305% (0.12 1.0 0.02 0.02) = 0.031% HA PRO 52 - HN GLU- 75 3.846% * 0.0305% (0.12 1.0 0.02 0.02) = 0.031% HA SER 85 - HN GLU- 75 3.846% * 0.0305% (0.12 1.0 0.02 0.02) = 0.031% HA VAL 65 - HN GLU- 75 3.846% * 0.0244% (0.09 1.0 0.02 0.02) = 0.024% HA ARG+ 84 - HN GLU- 75 3.846% * 0.0217% (0.08 1.0 0.02 0.02) = 0.022% Peak 408 (4.25, 8.43, 122.17 ppm): 38 chemical-shift based assignments, quality = 0.66, support = 2.66, residual support = 16.4: O HA GLU- 75 - HN GLU- 75 2.632% * 87.0534% (0.69 10.0 2.96 18.79) = 87.053% kept HA ASN 89 - HN GLU- 75 2.632% * 5.0652% (0.86 1.0 0.93 0.02) = 5.065% kept HA VAL 73 - HN GLU- 75 2.632% * 2.3571% (0.48 1.0 0.77 0.02) = 2.357% kept HA2 GLY 114 - HN LYS+ 113 2.632% * 1.6157% (0.23 1.0 1.11 1.10) = 1.616% kept HA ASN 89 - HN LYS+ 113 2.632% * 0.9364% (0.21 1.0 0.69 0.63) = 0.936% HA GLU- 54 - HN GLU- 75 2.632% * 0.7597% (0.50 1.0 0.24 0.02) = 0.760% HA GLU- 75 - HN LYS+ 113 2.632% * 0.2999% (0.17 1.0 0.28 0.02) = 0.300% HA VAL 73 - HN LYS+ 113 2.632% * 0.2538% (0.12 1.0 0.34 0.24) = 0.254% HA ARG+ 84 - HN LYS+ 113 2.632% * 0.1983% (0.10 1.0 0.32 0.02) = 0.198% HA HIS+ 4 - HN GLU- 75 2.632% * 0.1199% (0.95 1.0 0.02 0.02) = 0.120% HA PRO 59 - HN LYS+ 113 2.632% * 0.1184% (0.22 1.0 0.08 0.02) = 0.118% HA2 GLY 114 - HN GLU- 75 2.632% * 0.1175% (0.93 1.0 0.02 0.02) = 0.118% HA LYS+ 108 - HN GLU- 75 2.632% * 0.1157% (0.92 1.0 0.02 0.02) = 0.116% HA PRO 59 - HN GLU- 75 2.632% * 0.1134% (0.90 1.0 0.02 0.02) = 0.113% HA GLU- 56 - HN GLU- 75 2.632% * 0.1107% (0.88 1.0 0.02 0.02) = 0.111% HA HIS+ 8 - HN GLU- 75 2.632% * 0.0776% (0.62 1.0 0.02 0.02) = 0.078% HA SER 49 - HN GLU- 75 2.632% * 0.0537% (0.43 1.0 0.02 0.02) = 0.054% HA ARG+ 84 - HN GLU- 75 2.632% * 0.0493% (0.39 1.0 0.02 0.02) = 0.049% HA GLU- 18 - HN GLU- 75 2.632% * 0.0493% (0.39 1.0 0.02 0.02) = 0.049% HA SER 85 - HN LYS+ 113 2.632% * 0.0471% (0.07 1.0 0.10 0.02) = 0.047% HA VAL 65 - HN GLU- 75 2.632% * 0.0450% (0.36 1.0 0.02 0.02) = 0.045% HA PRO 52 - HN LYS+ 113 2.632% * 0.0403% (0.07 1.0 0.09 0.02) = 0.040% HA ALA 91 - HN LYS+ 113 2.632% * 0.0393% (0.07 1.0 0.10 0.02) = 0.039% HD3 PRO 59 - HN LYS+ 113 2.632% * 0.0386% (0.07 1.0 0.08 0.02) = 0.039% HA SER 85 - HN GLU- 75 2.632% * 0.0370% (0.29 1.0 0.02 0.02) = 0.037% HA PRO 52 - HN GLU- 75 2.632% * 0.0370% (0.29 1.0 0.02 0.02) = 0.037% HD3 PRO 59 - HN GLU- 75 2.632% * 0.0370% (0.29 1.0 0.02 0.02) = 0.037% HA ALA 91 - HN GLU- 75 2.632% * 0.0333% (0.26 1.0 0.02 0.02) = 0.033% HA HIS+ 4 - HN LYS+ 113 2.632% * 0.0297% (0.24 1.0 0.02 0.02) = 0.030% HA LYS+ 108 - HN LYS+ 113 2.632% * 0.0287% (0.23 1.0 0.02 0.02) = 0.029% HA GLU- 56 - HN LYS+ 113 2.632% * 0.0274% (0.22 1.0 0.02 0.02) = 0.027% HA HIS+ 8 - HN LYS+ 113 2.632% * 0.0192% (0.15 1.0 0.02 0.02) = 0.019% HA ALA 42 - HN GLU- 75 2.632% * 0.0185% (0.15 1.0 0.02 0.02) = 0.018% HA GLU- 54 - HN LYS+ 113 2.632% * 0.0156% (0.12 1.0 0.02 0.02) = 0.016% HA SER 49 - HN LYS+ 113 2.632% * 0.0133% (0.11 1.0 0.02 0.02) = 0.013% HA GLU- 18 - HN LYS+ 113 2.632% * 0.0122% (0.10 1.0 0.02 0.17) = 0.012% HA VAL 65 - HN LYS+ 113 2.632% * 0.0112% (0.09 1.0 0.02 0.02) = 0.011% HA ALA 42 - HN LYS+ 113 2.632% * 0.0046% (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 410 (1.94, 8.43, 122.17 ppm): 32 chemical-shift based assignments, quality = 0.835, support = 2.88, residual support = 18.0: O HB2 GLU- 75 - HN GLU- 75 3.125% * 93.8571% (0.88 10.0 2.89 18.79) = 93.857% kept * HG2 PRO 112 - HN LYS+ 113 3.125% * 4.6045% (0.24 1.0 3.65 8.67) = 4.605% kept HB2 LEU 23 - HN LYS+ 113 3.125% * 0.3527% (0.13 1.0 0.49 0.68) = 0.353% HB3 GLU- 54 - HN GLU- 75 3.125% * 0.1890% (0.15 1.0 0.24 0.02) = 0.189% HG2 PRO 112 - HN GLU- 75 3.125% * 0.1017% (0.95 1.0 0.02 0.02) = 0.102% HB2 PRO 116 - HN GLU- 75 3.125% * 0.1008% (0.94 1.0 0.02 0.02) = 0.101% HB ILE 29 - HN GLU- 75 3.125% * 0.0849% (0.79 1.0 0.02 0.02) = 0.085% HB3 LYS+ 55 - HN GLU- 75 3.125% * 0.0777% (0.73 1.0 0.02 0.02) = 0.078% HG3 PRO 31 - HN GLU- 75 3.125% * 0.0738% (0.69 1.0 0.02 0.02) = 0.074% HB3 PRO 35 - HN GLU- 75 3.125% * 0.0698% (0.65 1.0 0.02 0.02) = 0.070% HB2 LEU 23 - HN GLU- 75 3.125% * 0.0576% (0.54 1.0 0.02 0.02) = 0.058% HB3 GLU- 56 - HN GLU- 75 3.125% * 0.0535% (0.50 1.0 0.02 0.02) = 0.053% HG3 PRO 116 - HN GLU- 75 3.125% * 0.0418% (0.39 1.0 0.02 0.02) = 0.042% HB VAL 13 - HN GLU- 75 3.125% * 0.0382% (0.36 1.0 0.02 0.02) = 0.038% HB VAL 122 - HN GLU- 75 3.125% * 0.0314% (0.29 1.0 0.02 0.02) = 0.031% HD3 LYS+ 63 - HN GLU- 75 3.125% * 0.0314% (0.29 1.0 0.02 0.02) = 0.031% HB3 GLU- 109 - HN GLU- 75 3.125% * 0.0283% (0.26 1.0 0.02 0.02) = 0.028% HB2 PRO 116 - HN LYS+ 113 3.125% * 0.0250% (0.23 1.0 0.02 0.02) = 0.025% HB2 GLU- 75 - HN LYS+ 113 3.125% * 0.0233% (0.22 1.0 0.02 0.02) = 0.023% HB ILE 29 - HN LYS+ 113 3.125% * 0.0211% (0.20 1.0 0.02 0.02) = 0.021% HB3 LYS+ 55 - HN LYS+ 113 3.125% * 0.0193% (0.18 1.0 0.02 0.02) = 0.019% HG3 PRO 31 - HN LYS+ 113 3.125% * 0.0183% (0.17 1.0 0.02 0.02) = 0.018% HB3 GLN 102 - HN GLU- 75 3.125% * 0.0178% (0.17 1.0 0.02 0.11) = 0.018% HB3 PRO 35 - HN LYS+ 113 3.125% * 0.0173% (0.16 1.0 0.02 0.02) = 0.017% HB3 GLU- 56 - HN LYS+ 113 3.125% * 0.0133% (0.12 1.0 0.02 0.02) = 0.013% HG3 PRO 116 - HN LYS+ 113 3.125% * 0.0104% (0.10 1.0 0.02 0.02) = 0.010% HB VAL 13 - HN LYS+ 113 3.125% * 0.0095% (0.09 1.0 0.02 0.02) = 0.009% HB VAL 122 - HN LYS+ 113 3.125% * 0.0078% (0.07 1.0 0.02 0.02) = 0.008% HD3 LYS+ 63 - HN LYS+ 113 3.125% * 0.0078% (0.07 1.0 0.02 0.02) = 0.008% HB3 GLU- 109 - HN LYS+ 113 3.125% * 0.0070% (0.07 1.0 0.02 0.02) = 0.007% HB3 GLN 102 - HN LYS+ 113 3.125% * 0.0044% (0.04 1.0 0.02 0.02) = 0.004% HB3 GLU- 54 - HN LYS+ 113 3.125% * 0.0039% (0.04 1.0 0.02 0.02) = 0.004% Peak 411 (2.05, 8.43, 122.17 ppm): 26 chemical-shift based assignments, quality = 0.7, support = 2.92, residual support = 18.5: O HB3 GLU- 75 - HN GLU- 75 3.846% * 98.6969% (0.71 10.0 2.96 18.79) = 98.697% kept HA1 GLY 58 - HN GLU- 75 3.846% * 0.1586% (0.13 1.0 0.18 0.02) = 0.159% HB2 GLU- 45 - HN GLU- 75 3.846% * 0.1311% (0.94 1.0 0.02 0.02) = 0.131% HB3 GLU- 10 - HN GLU- 75 3.846% * 0.1276% (0.92 1.0 0.02 0.02) = 0.128% HA1 GLY 58 - HN LYS+ 113 3.846% * 0.1108% (0.03 1.0 0.50 0.02) = 0.111% HG3 PRO 86 - HN GLU- 75 3.846% * 0.1105% (0.79 1.0 0.02 0.02) = 0.110% HB VAL 62 - HN GLU- 75 3.846% * 0.1105% (0.79 1.0 0.02 0.02) = 0.110% HB3 LYS+ 110 - HN GLU- 75 3.846% * 0.0802% (0.58 1.0 0.02 0.02) = 0.080% HG3 ARG+ 53 - HN GLU- 75 3.846% * 0.0749% (0.54 1.0 0.02 0.02) = 0.075% HB3 GLU- 107 - HN GLU- 75 3.846% * 0.0593% (0.43 1.0 0.02 0.02) = 0.059% HB3 GLU- 45 - HN GLU- 75 3.846% * 0.0408% (0.29 1.0 0.02 0.02) = 0.041% HB3 LYS+ 120 - HN GLU- 75 3.846% * 0.0330% (0.24 1.0 0.02 0.02) = 0.033% HB2 GLU- 45 - HN LYS+ 113 3.846% * 0.0325% (0.23 1.0 0.02 0.02) = 0.032% HB3 GLU- 10 - HN LYS+ 113 3.846% * 0.0316% (0.23 1.0 0.02 0.02) = 0.032% HG3 PRO 86 - HN LYS+ 113 3.846% * 0.0274% (0.20 1.0 0.02 0.02) = 0.027% HB VAL 62 - HN LYS+ 113 3.846% * 0.0274% (0.20 1.0 0.02 0.02) = 0.027% HB3 GLU- 75 - HN LYS+ 113 3.846% * 0.0245% (0.18 1.0 0.02 0.02) = 0.024% HB2 LYS+ 44 - HN GLU- 75 3.846% * 0.0204% (0.15 1.0 0.02 0.02) = 0.020% HB3 PRO 31 - HN GLU- 75 3.846% * 0.0204% (0.15 1.0 0.02 0.02) = 0.020% HB3 LYS+ 110 - HN LYS+ 113 3.846% * 0.0199% (0.14 1.0 0.02 0.02) = 0.020% HG3 ARG+ 53 - HN LYS+ 113 3.846% * 0.0186% (0.13 1.0 0.02 0.02) = 0.019% HB3 GLU- 107 - HN LYS+ 113 3.846% * 0.0147% (0.11 1.0 0.02 0.02) = 0.015% HB3 GLU- 45 - HN LYS+ 113 3.846% * 0.0101% (0.07 1.0 0.02 0.02) = 0.010% HB3 LYS+ 120 - HN LYS+ 113 3.846% * 0.0082% (0.06 1.0 0.02 0.02) = 0.008% HB2 LYS+ 44 - HN LYS+ 113 3.846% * 0.0051% (0.04 1.0 0.02 0.02) = 0.005% HB3 PRO 31 - HN LYS+ 113 3.846% * 0.0051% (0.04 1.0 0.02 0.02) = 0.005% 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): 8 chemical-shift based assignments, quality = 0.54, support = 1.22, residual support = 0.503: HB3 ARG+ 53 - HN LYS+ 55 12.500% * 68.2411% (0.56 1.63 0.71) = 68.241% kept HB3 GLU- 18 - HN LYS+ 55 12.500% * 15.1022% (0.56 0.36 0.11) = 15.102% kept HG2 PRO 31 - HN LYS+ 55 12.500% * 6.1677% (0.17 0.48 0.02) = 6.168% kept HB3 GLU- 50 - HN LYS+ 55 12.500% * 5.7835% (0.28 0.28 0.02) = 5.784% kept HB2 HIS+ 7 - HN LYS+ 55 12.500% * 1.4765% (1.00 0.02 0.02) = 1.477% kept HB VAL 94 - HN LYS+ 55 12.500% * 1.4732% (0.99 0.02 0.02) = 1.473% kept HB2 ARG+ 84 - HN LYS+ 55 12.500% * 1.4634% (0.99 0.02 0.02) = 1.463% kept HB3 PRO 116 - HN LYS+ 55 12.500% * 0.2922% (0.20 0.02 0.02) = 0.292% Peak 414 (9.06, 7.81, 122.18 ppm): 2 chemical-shift based assignments, quality = 0.83, support = 3.27, residual support = 13.0: * T HN GLU- 54 - HN LYS+ 55 50.000% * 99.9131% (0.83 10.00 3.27 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): 17 chemical-shift based assignments, quality = 0.577, support = 3.47, residual support = 14.8: * O HB3 LYS+ 55 - HN LYS+ 55 5.882% * 82.5750% (0.60 10.0 3.79 16.25) = 82.575% kept HB3 GLU- 56 - HN LYS+ 55 5.882% * 6.4588% (0.68 1.0 1.38 8.52) = 6.459% kept HB3 GLU- 54 - HN LYS+ 55 5.882% * 6.2145% (0.25 1.0 3.66 13.04) = 6.214% kept HD3 LYS+ 63 - HN LYS+ 55 5.882% * 2.0152% (0.45 1.0 0.66 0.02) = 2.015% kept HG3 PRO 31 - HN LYS+ 55 5.882% * 1.8385% (0.56 1.0 0.48 0.02) = 1.838% kept HB2 PRO 116 - HN LYS+ 55 5.882% * 0.1349% (0.99 1.0 0.02 0.02) = 0.135% HG2 PRO 112 - HN LYS+ 55 5.882% * 0.1314% (0.96 1.0 0.02 0.02) = 0.131% HB ILE 29 - HN LYS+ 55 5.882% * 0.1288% (0.94 1.0 0.02 0.02) = 0.129% HB3 PRO 35 - HN LYS+ 55 5.882% * 0.1137% (0.83 1.0 0.02 0.02) = 0.114% HB2 GLU- 75 - HN LYS+ 55 5.882% * 0.1090% (0.80 1.0 0.02 0.02) = 0.109% HB2 LEU 23 - HN LYS+ 55 5.882% * 0.0989% (0.72 1.0 0.02 0.02) = 0.099% HG3 PRO 116 - HN LYS+ 55 5.882% * 0.0379% (0.28 1.0 0.02 0.02) = 0.038% HB3 GLN 102 - HN LYS+ 55 5.882% * 0.0379% (0.28 1.0 0.02 0.02) = 0.038% HB VAL 13 - HN LYS+ 55 5.882% * 0.0339% (0.25 1.0 0.02 0.02) = 0.034% HB VAL 122 - HN LYS+ 55 5.882% * 0.0269% (0.20 1.0 0.02 0.02) = 0.027% HB3 GLU- 109 - HN LYS+ 55 5.882% * 0.0238% (0.17 1.0 0.02 0.02) = 0.024% HB3 MET 118 - HN LYS+ 55 5.882% * 0.0210% (0.15 1.0 0.02 0.02) = 0.021% Peak 416 (4.50, 7.81, 122.18 ppm): 8 chemical-shift based assignments, quality = 0.971, support = 3.48, residual support = 16.2: * O HA LYS+ 55 - HN LYS+ 55 12.500% * 99.5370% (0.98 10.0 3.50 16.25) = 99.537% kept HB THR 46 - HN LYS+ 55 12.500% * 0.0995% (0.98 1.0 0.02 0.02) = 0.100% HA SER 77 - HN LYS+ 55 12.500% * 0.0911% (0.89 1.0 0.02 0.02) = 0.091% HA CYS 123 - HN LYS+ 55 12.500% * 0.0813% (0.80 1.0 0.02 0.02) = 0.081% HA ASN 76 - HN LYS+ 55 12.500% * 0.0616% (0.60 1.0 0.02 0.02) = 0.062% HA ASN 89 - HN LYS+ 55 12.500% * 0.0606% (0.59 1.0 0.02 0.02) = 0.061% HA VAL 73 - HN LYS+ 55 12.500% * 0.0406% (0.40 1.0 0.02 0.02) = 0.041% HA LYS+ 78 - HN LYS+ 55 12.500% * 0.0282% (0.28 1.0 0.02 0.02) = 0.028% Peak 417 (4.23, 7.81, 122.18 ppm): 19 chemical-shift based assignments, quality = 0.958, support = 2.67, residual support = 12.3: * O HA GLU- 54 - HN LYS+ 55 5.263% * 93.1520% (0.99 10.0 2.81 13.04) = 93.152% kept HA GLU- 56 - HN LYS+ 55 5.263% * 2.0605% (0.25 1.0 1.76 8.52) = 2.061% kept HA LYS+ 110 - HN LYS+ 55 5.263% * 2.0390% (0.76 1.0 0.57 0.02) = 2.039% kept HA GLU- 18 - HN LYS+ 55 5.263% * 1.9160% (0.99 1.0 0.41 0.11) = 1.916% kept HA SER 49 - HN LYS+ 55 5.263% * 0.0940% (1.00 1.0 0.02 0.02) = 0.094% HA HIS+ 8 - HN LYS+ 55 5.263% * 0.0889% (0.94 1.0 0.02 0.02) = 0.089% HA ASN 89 - HN LYS+ 55 5.263% * 0.0868% (0.92 1.0 0.02 0.02) = 0.087% HA ALA 42 - HN LYS+ 55 5.263% * 0.0753% (0.80 1.0 0.02 0.02) = 0.075% HB3 SER 49 - HN LYS+ 55 5.263% * 0.0682% (0.72 1.0 0.02 0.02) = 0.068% HA GLU- 12 - HN LYS+ 55 5.263% * 0.0646% (0.68 1.0 0.02 0.02) = 0.065% HA PRO 59 - HN LYS+ 55 5.263% * 0.0608% (0.64 1.0 0.02 0.02) = 0.061% HA LYS+ 108 - HN LYS+ 55 5.263% * 0.0570% (0.60 1.0 0.02 0.02) = 0.057% HA ALA 11 - HN LYS+ 55 5.263% * 0.0457% (0.48 1.0 0.02 0.02) = 0.046% HA HIS+ 4 - HN LYS+ 55 5.263% * 0.0421% (0.45 1.0 0.02 0.02) = 0.042% HA VAL 73 - HN LYS+ 55 5.263% * 0.0376% (0.40 1.0 0.02 0.02) = 0.038% HB3 HIS+ 14 - HN LYS+ 55 5.263% * 0.0353% (0.37 1.0 0.02 0.02) = 0.035% HA2 GLY 114 - HN LYS+ 55 5.263% * 0.0321% (0.34 1.0 0.02 0.02) = 0.032% HA GLU- 109 - HN LYS+ 55 5.263% * 0.0290% (0.31 1.0 0.02 0.02) = 0.029% HA LYS+ 44 - HN LYS+ 55 5.263% * 0.0150% (0.16 1.0 0.02 0.02) = 0.015% Peak 418 (2.19, 7.81, 122.18 ppm): 15 chemical-shift based assignments, quality = 0.546, support = 2.09, residual support = 9.33: * HG3 GLU- 54 - HN LYS+ 55 6.667% * 71.5264% (0.60 2.83 13.04) = 71.526% kept HB3 GLU- 75 - HN LYS+ 55 6.667% * 5.7961% (0.25 0.54 0.02) = 5.796% kept HB3 PRO 104 - HN LYS+ 55 6.667% * 5.7455% (0.86 0.16 0.02) = 5.745% kept HG2 GLN 102 - HN LYS+ 55 6.667% * 4.2848% (0.64 0.16 0.02) = 4.285% kept HA1 GLY 58 - HN LYS+ 55 6.667% * 3.8574% (0.31 0.30 0.02) = 3.857% kept HB2 GLU- 50 - HN LYS+ 55 6.667% * 2.2792% (0.15 0.35 0.02) = 2.279% kept HG3 GLU- 109 - HN LYS+ 55 6.667% * 1.6684% (0.22 0.18 0.02) = 1.668% kept HG2 PRO 104 - HN LYS+ 55 6.667% * 1.4746% (0.22 0.16 0.02) = 1.475% kept HG2 MET 126 - HN LYS+ 55 6.667% * 0.7706% (0.92 0.02 0.02) = 0.771% HG2 GLN 16 - HN LYS+ 55 6.667% * 0.6973% (0.83 0.02 0.02) = 0.697% HB2 LYS+ 113 - HN LYS+ 55 6.667% * 0.6380% (0.76 0.02 0.02) = 0.638% HB2 ASP- 82 - HN LYS+ 55 6.667% * 0.5734% (0.68 0.02 0.02) = 0.573% HG3 GLN 16 - HN LYS+ 55 6.667% * 0.3432% (0.41 0.02 0.02) = 0.343% HG3 MET 126 - HN LYS+ 55 6.667% * 0.2321% (0.28 0.02 0.02) = 0.232% HG3 GLU- 107 - HN LYS+ 55 6.667% * 0.1130% (0.13 0.02 0.02) = 0.113% Peak 419 (1.28, 7.81, 122.18 ppm): 5 chemical-shift based assignments, quality = 0.751, support = 3.11, residual support = 15.2: * O HB2 LYS+ 55 - HN LYS+ 55 20.000% * 92.5283% (0.76 10.0 3.23 16.25) = 92.528% kept HG2 LYS+ 32 - HN LYS+ 55 20.000% * 6.9528% (0.68 1.0 1.67 2.36) = 6.953% kept QG2 THR 46 - HN LYS+ 55 20.000% * 0.3065% (0.52 1.0 0.10 0.02) = 0.307% HB3 LEU 74 - HN LYS+ 55 20.000% * 0.1200% (0.99 1.0 0.02 0.02) = 0.120% HG LEU 74 - HN LYS+ 55 20.000% * 0.0923% (0.76 1.0 0.02 0.02) = 0.092% Peak 420 (1.60, 7.81, 122.18 ppm): 12 chemical-shift based assignments, quality = 0.881, support = 0.809, residual support = 1.74: HD3 LYS+ 32 - HN LYS+ 55 8.333% * 48.8679% (0.99 1.15 2.36) = 48.868% kept HB3 LYS+ 32 - HN LYS+ 55 8.333% * 24.6217% (0.76 0.75 2.36) = 24.622% kept HG3 LYS+ 110 - HN LYS+ 55 8.333% * 10.1322% (0.83 0.28 0.02) = 10.132% kept HG2 LYS+ 110 - HN LYS+ 55 8.333% * 9.8164% (0.80 0.29 0.02) = 9.816% kept HB3 LEU 17 - HN LYS+ 55 8.333% * 5.2510% (0.94 0.13 0.02) = 5.251% kept HG3 LYS+ 78 - HN LYS+ 55 8.333% * 0.3852% (0.45 0.02 0.02) = 0.385% HB ILE 100 - HN LYS+ 55 8.333% * 0.1700% (0.20 0.02 0.02) = 0.170% HG12 ILE 101 - HN LYS+ 55 8.333% * 0.1700% (0.20 0.02 0.02) = 0.170% HB2 LEU 67 - HN LYS+ 55 8.333% * 0.1700% (0.20 0.02 0.02) = 0.170% HG3 LYS+ 60 - HN LYS+ 55 8.333% * 0.1505% (0.17 0.02 0.02) = 0.150% HG LEU 23 - HN LYS+ 55 8.333% * 0.1326% (0.15 0.02 0.02) = 0.133% HB ILE 19 - HN LYS+ 55 8.333% * 0.1326% (0.15 0.02 2.03) = 0.133% 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 Reference assignment not found: HN ILE 48 - HN VAL 47 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 = 0.968, support = 3.96, residual support = 33.5: * O HB VAL 47 - HN VAL 47 11.111% * 92.6648% (0.98 10.0 4.20 36.12) = 92.665% kept HB3 GLU- 75 - HN VAL 47 11.111% * 3.6417% (0.75 1.0 1.03 0.02) = 3.642% kept HG3 GLN 102 - HN VAL 47 11.111% * 3.4449% (0.99 1.0 0.74 0.48) = 3.445% kept HB2 ASP- 28 - HN VAL 47 11.111% * 0.0927% (0.98 1.0 0.02 0.02) = 0.093% HB3 LYS+ 78 - HN VAL 47 11.111% * 0.0790% (0.83 1.0 0.02 0.02) = 0.079% HG2 PRO 104 - HN VAL 47 11.111% * 0.0236% (0.25 1.0 0.02 0.02) = 0.024% HA1 GLY 58 - HN VAL 47 11.111% * 0.0223% (0.24 1.0 0.02 0.02) = 0.022% HG3 GLU- 56 - HN VAL 47 11.111% * 0.0166% (0.17 1.0 0.02 0.02) = 0.017% HB3 LEU 43 - HN VAL 47 11.111% * 0.0146% (0.15 1.0 0.02 0.02) = 0.015% Peak 434 (4.50, 7.32, 122.31 ppm): 8 chemical-shift based assignments, quality = 0.903, support = 2.1, residual support = 6.58: * HB THR 46 - HN VAL 47 12.500% * 75.4641% (0.99 2.64 8.72) = 75.464% kept HA LYS+ 55 - HN VAL 47 12.500% * 8.6745% (0.99 0.30 0.02) = 8.675% kept HA VAL 73 - HN VAL 47 12.500% * 7.6571% (0.39 0.67 0.02) = 7.657% kept HA ASN 89 - HN VAL 47 12.500% * 6.7603% (0.59 0.39 0.02) = 6.760% kept HA SER 77 - HN VAL 47 12.500% * 0.4997% (0.87 0.02 0.02) = 0.500% HA CYS 123 - HN VAL 47 12.500% * 0.4403% (0.76 0.02 0.02) = 0.440% HA ASN 76 - HN VAL 47 12.500% * 0.3262% (0.57 0.02 0.02) = 0.326% HA LYS+ 78 - HN VAL 47 12.500% * 0.1778% (0.31 0.02 0.02) = 0.178% Peak 435 (7.78, 7.32, 122.31 ppm): 6 chemical-shift based assignments, quality = 0.832, support = 3.48, residual support = 8.7: * T HN THR 46 - HN VAL 47 16.667% * 99.7488% (0.83 10.00 3.49 8.72) = 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 = 0.768, support = 3.69, residual support = 30.8: * QG2 VAL 47 - HN VAL 47 7.143% * 48.3397% (0.90 4.16 36.12) = 48.340% kept QG1 VAL 47 - HN VAL 47 7.143% * 36.5074% (0.73 3.88 36.12) = 36.507% kept HG LEU 74 - HN VAL 47 7.143% * 13.2473% (0.53 1.94 0.86) = 13.247% kept QG1 VAL 80 - HN VAL 47 7.143% * 0.2584% (1.00 0.02 0.02) = 0.258% QG1 VAL 122 - HN VAL 47 7.143% * 0.2539% (0.98 0.02 0.02) = 0.254% QG2 VAL 125 - HN VAL 47 7.143% * 0.2247% (0.87 0.02 0.02) = 0.225% QG1 VAL 40 - HN VAL 47 7.143% * 0.2163% (0.83 0.02 0.02) = 0.216% QG2 VAL 105 - HN VAL 47 7.143% * 0.1979% (0.76 0.02 0.02) = 0.198% QD1 LEU 67 - HN VAL 47 7.143% * 0.1675% (0.65 0.02 0.02) = 0.168% QG2 VAL 87 - HN VAL 47 7.143% * 0.1571% (0.61 0.02 0.02) = 0.157% HG13 ILE 68 - HN VAL 47 7.143% * 0.1466% (0.57 0.02 0.02) = 0.147% QG2 VAL 122 - HN VAL 47 7.143% * 0.1466% (0.57 0.02 0.02) = 0.147% QG2 ILE 100 - HN VAL 47 7.143% * 0.0720% (0.28 0.02 0.02) = 0.072% QD1 LEU 90 - HN VAL 47 7.143% * 0.0646% (0.25 0.02 0.02) = 0.065% Peak 437 (1.29, 7.32, 122.31 ppm): 6 chemical-shift based assignments, quality = 0.776, support = 2.27, residual support = 4.45: * QG2 THR 46 - HN VAL 47 16.667% * 45.1263% (0.94 2.78 8.72) = 45.126% kept HG LEU 74 - HN VAL 47 16.667% * 24.2473% (0.73 1.94 0.86) = 24.247% kept QB ALA 103 - HN VAL 47 16.667% * 18.7230% (0.41 2.66 1.34) = 18.723% kept HB3 LEU 74 - HN VAL 47 16.667% * 6.1293% (0.80 0.45 0.86) = 6.129% kept HB2 LYS+ 55 - HN VAL 47 16.667% * 4.3375% (1.00 0.25 0.02) = 4.338% kept HG2 LYS+ 32 - HN VAL 47 16.667% * 1.4366% (0.25 0.34 0.02) = 1.437% kept Peak 438 (3.08, 7.32, 122.31 ppm): 4 chemical-shift based assignments, quality = 0.524, support = 3.79, residual support = 36.0: O HA VAL 47 - HN VAL 47 25.000% * 99.7323% (0.53 10.0 3.80 36.12) = 99.732% kept HB3 ASP- 25 - HN VAL 47 25.000% * 0.1302% (0.69 1.0 0.02 0.02) = 0.130% HB3 HIS+ 8 - HN VAL 47 25.000% * 0.0711% (0.37 1.0 0.02 0.02) = 0.071% HA1 GLY 58 - HN VAL 47 25.000% * 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): 16 chemical-shift based assignments, quality = 0.406, support = 0.479, residual support = 0.358: HA ASN 89 - HN LYS+ 113 6.250% * 42.7289% (0.43 0.69 0.63) = 42.729% kept HA VAL 73 - HN LYS+ 113 6.250% * 26.5652% (0.55 0.34 0.24) = 26.565% kept HA VAL 94 - HN LYS+ 113 6.250% * 8.7114% (0.08 0.71 0.22) = 8.711% kept HA SER 88 - HN LYS+ 113 6.250% * 7.5016% (0.14 0.38 0.02) = 7.502% kept HB3 HIS+ 4 - HN LYS+ 113 6.250% * 1.5760% (0.55 0.02 0.02) = 1.576% kept HA2 GLY 26 - HN LYS+ 113 6.250% * 1.5244% (0.53 0.02 0.02) = 1.524% kept HA THR 38 - HN LYS+ 113 6.250% * 1.5244% (0.53 0.02 0.02) = 1.524% kept HA LYS+ 60 - HN LYS+ 113 6.250% * 1.4166% (0.49 0.02 0.02) = 1.417% kept HA LYS+ 117 - HN LYS+ 113 6.250% * 1.4166% (0.49 0.02 0.02) = 1.417% kept HA ALA 37 - HN LYS+ 113 6.250% * 1.3193% (0.46 0.02 0.02) = 1.319% kept HA MET 1 - HN LYS+ 113 6.250% * 1.2648% (0.44 0.02 0.02) = 1.265% kept HA ASN 57 - HN LYS+ 113 6.250% * 1.2648% (0.44 0.02 0.02) = 1.265% kept HA1 GLY 26 - HN LYS+ 113 6.250% * 1.0850% (0.38 0.02 0.02) = 1.085% kept HA HIS+ 3 - HN LYS+ 113 6.250% * 0.8943% (0.31 0.02 0.02) = 0.894% HA TRP 51 - HN LYS+ 113 6.250% * 0.8943% (0.31 0.02 0.02) = 0.894% HB THR 61 - HN LYS+ 113 6.250% * 0.3126% (0.11 0.02 0.02) = 0.313% Peak 441 (4.78, 8.48, 122.22 ppm): 5 chemical-shift based assignments, quality = 0.513, support = 2.24, residual support = 10.1: O HA LYS+ 113 - HN LYS+ 113 20.000% * 98.7641% (0.52 10.0 2.27 10.28) = 98.764% kept HA ASN 89 - HN LYS+ 113 20.000% * 0.9294% (0.14 1.0 0.69 0.63) = 0.929% HA PRO 116 - HN LYS+ 113 20.000% * 0.1042% (0.55 1.0 0.02 0.02) = 0.104% HA ASN 15 - HN LYS+ 113 20.000% * 0.1035% (0.54 1.0 0.02 0.02) = 0.103% HA ASP- 115 - HN LYS+ 113 20.000% * 0.0988% (0.52 1.0 0.02 0.02) = 0.099% Peak 442 (1.76, 8.48, 122.22 ppm): 9 chemical-shift based assignments, quality = 0.497, support = 0.327, residual support = 0.195: HB VAL 94 - HN LYS+ 113 11.111% * 81.2369% (0.52 0.40 0.22) = 81.237% kept HB2 ARG+ 84 - HN LYS+ 113 11.111% * 4.2796% (0.54 0.02 0.02) = 4.280% kept HB2 HIS+ 7 - HN LYS+ 113 11.111% * 4.1670% (0.53 0.02 0.19) = 4.167% kept HB3 ARG+ 53 - HN LYS+ 113 11.111% * 3.1354% (0.40 0.02 0.02) = 3.135% kept HB3 GLU- 18 - HN LYS+ 113 11.111% * 3.1354% (0.40 0.02 0.17) = 3.135% kept HB3 PRO 116 - HN LYS+ 113 11.111% * 1.3327% (0.17 0.02 0.02) = 1.333% kept HG2 PRO 31 - HN LYS+ 113 11.111% * 1.2005% (0.15 0.02 0.02) = 1.201% kept HB3 GLU- 50 - HN LYS+ 113 11.111% * 0.7562% (0.10 0.02 0.02) = 0.756% HB3 LYS+ 63 - HN LYS+ 113 11.111% * 0.7562% (0.10 0.02 0.02) = 0.756% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 443 (7.95, 7.96, 122.12 ppm): 1 diagonal assignment: * HN LYS+ 72 - HN LYS+ 72 (0.90) kept Peak 444 (1.85, 7.96, 122.12 ppm): 9 chemical-shift based assignments, quality = 0.983, support = 3.46, residual support = 33.2: O HB3 LYS+ 72 - HN LYS+ 72 11.111% * 98.1331% (1.00 10.0 3.50 33.70) = 98.133% kept HB VAL 73 - HN LYS+ 72 11.111% * 1.4828% (0.17 1.0 1.73 9.25) = 1.483% kept HB2 PRO 104 - HN LYS+ 72 11.111% * 0.0979% (1.00 1.0 0.02 0.02) = 0.098% HB2 LYS+ 66 - HN LYS+ 72 11.111% * 0.0786% (0.80 1.0 0.02 0.02) = 0.079% HG3 PRO 112 - HN LYS+ 72 11.111% * 0.0635% (0.65 1.0 0.02 0.02) = 0.063% HB3 PRO 59 - HN LYS+ 72 11.111% * 0.0635% (0.65 1.0 0.02 0.02) = 0.063% HB2 PRO 59 - HN LYS+ 72 11.111% * 0.0440% (0.45 1.0 0.02 0.02) = 0.044% HB3 ARG+ 84 - HN LYS+ 72 11.111% * 0.0194% (0.20 1.0 0.02 0.02) = 0.019% HG3 LYS+ 120 - HN LYS+ 72 11.111% * 0.0172% (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 = 0.695, support = 2.39, residual support = 2.74: QG1 VAL 62 - HN LYS+ 72 25.000% * 44.5127% (0.96 2.61 1.81) = 44.513% kept QG2 VAL 94 - HN LYS+ 72 25.000% * 20.4406% (0.49 2.38 7.12) = 20.441% kept HG12 ILE 19 - HN LYS+ 72 25.000% * 19.8853% (0.53 2.14 1.37) = 19.885% kept QD1 ILE 19 - HN LYS+ 72 25.000% * 15.1613% (0.41 2.09 1.37) = 15.161% kept Peak 446 (1.49, 7.96, 122.12 ppm): 6 chemical-shift based assignments, quality = 0.512, support = 3.35, residual support = 27.7: * O HB2 LYS+ 72 - HN LYS+ 72 16.667% * 68.6888% (0.45 10.0 3.48 33.70) = 68.689% kept QB ALA 70 - HN LYS+ 72 16.667% * 15.4514% (0.96 1.0 2.09 1.89) = 15.451% kept HG3 LYS+ 72 - HN LYS+ 72 16.667% * 12.6246% (0.34 1.0 4.83 33.70) = 12.625% kept HB3 LEU 67 - HN LYS+ 72 16.667% * 2.8764% (0.45 1.0 0.84 0.02) = 2.876% kept HG LEU 74 - HN LYS+ 72 16.667% * 0.2720% (0.23 1.0 0.15 0.11) = 0.272% HD3 LYS+ 108 - HN LYS+ 72 16.667% * 0.0867% (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 = 0.662, residual support = 0.876: T HN SER 69 - HN LYS+ 72 25.000% * 80.2709% (0.87 10.00 0.47 0.87) = 80.271% kept HN THR 95 - HN LYS+ 72 25.000% * 19.5210% (0.69 1.00 1.45 0.90) = 19.521% kept HN ASN 57 - HN LYS+ 72 25.000% * 0.1209% (0.31 1.00 0.02 0.02) = 0.121% HN LYS+ 32 - HN LYS+ 72 25.000% * 0.0872% (0.22 1.00 0.02 0.02) = 0.087% Peak 448 (4.57, 7.96, 122.12 ppm): 6 chemical-shift based assignments, quality = 0.996, support = 3.25, residual support = 33.6: * O HA LYS+ 72 - HN LYS+ 72 16.667% * 99.7715% (1.00 10.0 3.25 33.70) = 99.772% kept HA LEU 9 - HN LYS+ 72 16.667% * 0.0645% (0.65 1.0 0.02 0.02) = 0.065% HA ASN 89 - HN LYS+ 72 16.667% * 0.0506% (0.51 1.0 0.02 0.02) = 0.051% HA ASP- 25 - HN LYS+ 72 16.667% * 0.0486% (0.49 1.0 0.02 0.02) = 0.049% HA THR 79 - HN LYS+ 72 16.667% * 0.0340% (0.34 1.0 0.02 0.02) = 0.034% HA LEU 17 - HN LYS+ 72 16.667% * 0.0308% (0.31 1.0 0.02 0.02) = 0.031% Peak 449 (3.45, 7.96, 122.12 ppm): 9 chemical-shift based assignments, quality = 0.639, support = 3.12, residual support = 12.2: O HA1 GLY 71 - HN LYS+ 72 11.111% * 93.9829% (0.65 10.0 3.27 12.94) = 93.983% kept HB2 SER 69 - HN LYS+ 72 11.111% * 2.8372% (0.37 1.0 1.04 0.87) = 2.837% kept HA VAL 62 - HN LYS+ 72 11.111% * 2.7661% (0.76 1.0 0.50 1.81) = 2.766% kept HA VAL 80 - HN LYS+ 72 11.111% * 0.1440% (0.99 1.0 0.02 0.02) = 0.144% HD3 PRO 31 - HN LYS+ 72 11.111% * 0.0881% (0.61 1.0 0.02 0.02) = 0.088% HB THR 79 - HN LYS+ 72 11.111% * 0.0597% (0.41 1.0 0.02 0.02) = 0.060% HA ASN 89 - HN LYS+ 72 11.111% * 0.0566% (0.39 1.0 0.02 0.02) = 0.057% HA ILE 48 - HN LYS+ 72 11.111% * 0.0329% (0.23 1.0 0.02 0.02) = 0.033% HA THR 39 - HN LYS+ 72 11.111% * 0.0323% (0.22 1.0 0.02 0.02) = 0.032% Peak 450 (4.12, 7.96, 122.12 ppm): 10 chemical-shift based assignments, quality = 0.582, support = 3.21, residual support = 12.3: O HA2 GLY 71 - HN LYS+ 72 10.000% * 94.5126% (0.61 10.0 3.26 12.94) = 94.513% kept HA ALA 70 - HN LYS+ 72 10.000% * 4.5650% (0.20 1.0 2.96 1.89) = 4.565% kept HA ARG+ 53 - HN LYS+ 72 10.000% * 0.1544% (0.99 1.0 0.02 0.02) = 0.154% HA ASN 89 - HN LYS+ 72 10.000% * 0.1541% (0.99 1.0 0.02 0.02) = 0.154% HB THR 106 - HN LYS+ 72 10.000% * 0.1474% (0.94 1.0 0.02 0.02) = 0.147% HD2 PRO 59 - HN LYS+ 72 10.000% * 0.1248% (0.80 1.0 0.02 0.02) = 0.125% HA THR 46 - HN LYS+ 72 10.000% * 0.1191% (0.76 1.0 0.02 0.02) = 0.119% HA LYS+ 44 - HN LYS+ 72 10.000% * 0.0883% (0.57 1.0 0.02 0.47) = 0.088% HA VAL 105 - HN LYS+ 72 10.000% * 0.0758% (0.49 1.0 0.02 0.02) = 0.076% HB2 SER 88 - HN LYS+ 72 10.000% * 0.0585% (0.37 1.0 0.02 0.02) = 0.058% Peak 451 (4.38, 8.39, 122.01 ppm): 13 chemical-shift based assignments, quality = 0.122, support = 0.266, residual support = 0.0429: HA VAL 73 - HN GLU- 109 7.692% * 28.2410% (0.14 0.31 0.02) = 28.241% kept HA SER 88 - HN GLU- 109 7.692% * 27.8401% (0.12 0.38 0.10) = 27.840% kept HA ASN 89 - HN GLU- 109 7.692% * 20.2679% (0.11 0.29 0.02) = 20.268% kept HA TRP 51 - HN GLU- 109 7.692% * 9.7471% (0.14 0.11 0.02) = 9.747% kept HA THR 38 - HN GLU- 109 7.692% * 5.5331% (0.11 0.08 0.02) = 5.533% kept HA ASN 57 - HN GLU- 109 7.692% * 1.7532% (0.14 0.02 0.02) = 1.753% kept HA ALA 37 - HN GLU- 109 7.692% * 1.7109% (0.13 0.02 0.02) = 1.711% kept HA LYS+ 60 - HN GLU- 109 7.692% * 1.6077% (0.12 0.02 0.02) = 1.608% kept HB3 HIS+ 4 - HN GLU- 109 7.692% * 1.0493% (0.08 0.02 0.02) = 1.049% kept HA2 GLY 26 - HN GLU- 109 7.692% * 0.8309% (0.06 0.02 0.02) = 0.831% HA LYS+ 117 - HN GLU- 109 7.692% * 0.6322% (0.05 0.02 0.02) = 0.632% HA MET 1 - HN GLU- 109 7.692% * 0.4621% (0.04 0.02 0.02) = 0.462% HA1 GLY 26 - HN GLU- 109 7.692% * 0.3246% (0.03 0.02 0.02) = 0.325% Not enough quality. Peak unassigned. Peak 452 (1.81, 8.39, 122.01 ppm): 17 chemical-shift based assignments, quality = 0.139, support = 2.41, residual support = 14.5: * O HB2 GLU- 109 - HN GLU- 109 5.882% * 94.1658% (0.14 10.0 2.45 15.22) = 94.166% kept HB3 LYS+ 108 - HN GLU- 109 5.882% * 5.1459% (0.08 1.0 1.93 3.41) = 5.146% kept HD3 LYS+ 72 - HN GLU- 109 5.882% * 0.0923% (0.14 1.0 0.02 0.02) = 0.092% HD3 LYS+ 117 - HN GLU- 109 5.882% * 0.0817% (0.12 1.0 0.02 0.02) = 0.082% HB VAL 73 - HN GLU- 109 5.882% * 0.0720% (0.11 1.0 0.02 0.02) = 0.072% HB3 LYS+ 44 - HN GLU- 109 5.882% * 0.0684% (0.10 1.0 0.02 0.02) = 0.068% HB3 LYS+ 117 - HN GLU- 109 5.882% * 0.0571% (0.09 1.0 0.02 0.02) = 0.057% HB3 LYS+ 113 - HN GLU- 109 5.882% * 0.0495% (0.08 1.0 0.02 0.02) = 0.050% HB2 LYS+ 117 - HN GLU- 109 5.882% * 0.0495% (0.08 1.0 0.02 0.02) = 0.050% HB3 HIS+ 7 - HN GLU- 109 5.882% * 0.0458% (0.07 1.0 0.02 0.02) = 0.046% HB2 PRO 59 - HN GLU- 109 5.882% * 0.0387% (0.06 1.0 0.02 0.02) = 0.039% HB3 LYS+ 63 - HN GLU- 109 5.882% * 0.0321% (0.05 1.0 0.02 0.02) = 0.032% HB3 PRO 59 - HN GLU- 109 5.882% * 0.0235% (0.04 1.0 0.02 0.02) = 0.023% HG3 PRO 112 - HN GLU- 109 5.882% * 0.0235% (0.04 1.0 0.02 0.02) = 0.023% HG2 PRO 31 - HN GLU- 109 5.882% * 0.0210% (0.03 1.0 0.02 0.02) = 0.021% HB3 PRO 116 - HN GLU- 109 5.882% * 0.0186% (0.03 1.0 0.02 0.02) = 0.019% HB2 LYS+ 66 - HN GLU- 109 5.882% * 0.0145% (0.02 1.0 0.02 0.02) = 0.015% Peak 453 (8.86, 8.87, 121.88 ppm): 1 diagonal assignment: * HN ILE 68 - HN ILE 68 (0.87) kept Peak 454 (5.55, 8.87, 121.88 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 3.75, residual support = 20.6: * O HA LEU 67 - HN ILE 68 100.000% *100.0000% (1.00 10.0 3.75 20.60) = 100.000% kept Peak 455 (0.90, 8.87, 121.88 ppm): 14 chemical-shift based assignments, quality = 0.83, support = 4.23, residual support = 23.9: * HG13 ILE 68 - HN ILE 68 7.143% * 50.7024% (0.90 5.58 33.44) = 50.702% kept QD1 LEU 67 - HN ILE 68 7.143% * 29.5505% (0.94 3.08 20.60) = 29.551% kept HG LEU 74 - HN ILE 68 7.143% * 16.4868% (0.55 2.94 5.42) = 16.487% kept QG2 VAL 99 - HN ILE 68 7.143% * 1.9101% (0.31 0.61 0.30) = 1.910% kept QG2 VAL 105 - HN ILE 68 7.143% * 0.2010% (0.99 0.02 0.02) = 0.201% QG1 VAL 47 - HN ILE 68 7.143% * 0.1988% (0.98 0.02 0.02) = 0.199% QG2 VAL 87 - HN ILE 68 7.143% * 0.1872% (0.92 0.02 0.02) = 0.187% QG1 VAL 80 - HN ILE 68 7.143% * 0.1759% (0.87 0.02 0.02) = 0.176% QG1 VAL 122 - HN ILE 68 7.143% * 0.1473% (0.73 0.02 0.25) = 0.147% QG2 VAL 47 - HN ILE 68 7.143% * 0.1148% (0.57 0.02 0.02) = 0.115% QG2 VAL 125 - HN ILE 68 7.143% * 0.1067% (0.53 0.02 0.02) = 0.107% QG1 VAL 40 - HN ILE 68 7.143% * 0.0987% (0.49 0.02 0.02) = 0.099% QG2 VAL 73 - HN ILE 68 7.143% * 0.0692% (0.34 0.02 0.58) = 0.069% QG2 VAL 122 - HN ILE 68 7.143% * 0.0506% (0.25 0.02 0.25) = 0.051% Peak 456 (0.70, 8.87, 121.88 ppm): 10 chemical-shift based assignments, quality = 0.825, support = 1.93, residual support = 11.1: * HG LEU 67 - HN ILE 68 10.000% * 43.4875% (1.00 2.52 20.60) = 43.487% kept QD1 ILE 19 - HN ILE 68 10.000% * 23.5088% (0.73 1.88 5.21) = 23.509% kept HG12 ILE 19 - HN ILE 68 10.000% * 18.4816% (0.61 1.77 5.21) = 18.482% kept QG2 ILE 101 - HN ILE 68 10.000% * 9.0938% (0.83 0.63 0.02) = 9.094% kept QG2 ILE 48 - HN ILE 68 10.000% * 3.0831% (0.73 0.25 0.02) = 3.083% kept QG2 VAL 94 - HN ILE 68 10.000% * 1.5015% (0.65 0.13 0.02) = 1.502% kept HB2 LEU 9 - HN ILE 68 10.000% * 0.3438% (1.00 0.02 0.02) = 0.344% HG2 PRO 59 - HN ILE 68 10.000% * 0.3438% (1.00 0.02 0.02) = 0.344% QG2 VAL 40 - HN ILE 68 10.000% * 0.0958% (0.28 0.02 0.02) = 0.096% QG1 VAL 62 - HN ILE 68 10.000% * 0.0603% (0.17 0.02 0.02) = 0.060% Peak 457 (1.63, 8.87, 121.88 ppm): 11 chemical-shift based assignments, quality = 0.954, support = 2.84, residual support = 12.2: * HB2 LEU 67 - HN ILE 68 9.091% * 57.7720% (1.00 4.00 20.60) = 57.772% kept HB ILE 100 - HN ILE 68 9.091% * 24.9254% (1.00 1.73 1.01) = 24.925% kept HG3 LYS+ 78 - HN ILE 68 9.091% * 8.2215% (0.87 0.66 0.10) = 8.222% kept HG12 ILE 101 - HN ILE 68 9.091% * 4.7769% (1.00 0.33 0.02) = 4.777% kept HB3 MET 97 - HN ILE 68 9.091% * 3.4656% (0.25 0.96 0.02) = 3.466% kept HG LEU 23 - HN ILE 68 9.091% * 0.2863% (0.99 0.02 0.02) = 0.286% HG2 LYS+ 110 - HN ILE 68 9.091% * 0.1520% (0.53 0.02 0.02) = 0.152% HG3 LYS+ 110 - HN ILE 68 9.091% * 0.1406% (0.49 0.02 0.02) = 0.141% HB3 LEU 17 - HN ILE 68 9.091% * 0.0985% (0.34 0.02 0.02) = 0.099% HB3 ARG+ 22 - HN ILE 68 9.091% * 0.0891% (0.31 0.02 1.61) = 0.089% HD3 LYS+ 32 - HN ILE 68 9.091% * 0.0720% (0.25 0.02 0.02) = 0.072% Peak 458 (1.38, 8.87, 121.88 ppm): 12 chemical-shift based assignments, quality = 0.693, support = 1.78, residual support = 2.46: HG LEU 74 - HN ILE 68 8.333% * 24.7765% (0.47 2.94 5.42) = 24.777% kept HD3 LYS+ 20 - HN ILE 68 8.333% * 24.0443% (0.76 1.77 1.18) = 24.044% kept HB2 LYS+ 20 - HN ILE 68 8.333% * 20.2555% (0.98 1.16 1.18) = 20.255% kept HB3 LYS+ 20 - HN ILE 68 8.333% * 14.7380% (0.76 1.09 1.18) = 14.738% kept HG13 ILE 19 - HN ILE 68 8.333% * 8.0285% (0.17 2.58 5.21) = 8.028% kept HG2 LYS+ 78 - HN ILE 68 8.333% * 3.9508% (0.80 0.28 0.10) = 3.951% kept QG2 THR 39 - HN ILE 68 8.333% * 3.7578% (0.94 0.22 0.02) = 3.758% kept QB ALA 91 - HN ILE 68 8.333% * 0.1212% (0.34 0.02 0.02) = 0.121% QB ALA 42 - HN ILE 68 8.333% * 0.0988% (0.28 0.02 0.02) = 0.099% QB ALA 37 - HN ILE 68 8.333% * 0.0791% (0.22 0.02 0.02) = 0.079% QG2 THR 38 - HN ILE 68 8.333% * 0.0791% (0.22 0.02 0.02) = 0.079% HG3 ARG+ 22 - HN ILE 68 8.333% * 0.0703% (0.20 0.02 1.61) = 0.070% Peak 459 (1.19, 8.87, 121.88 ppm): 6 chemical-shift based assignments, quality = 0.977, support = 3.88, residual support = 28.7: * O HB ILE 68 - HN ILE 68 16.667% * 83.6753% (1.00 10.0 4.17 33.44) = 83.675% kept HG LEU 74 - HN ILE 68 16.667% * 11.7882% (0.96 1.0 2.94 5.42) = 11.788% kept HB3 LYS+ 66 - HN ILE 68 16.667% * 3.0077% (0.65 1.0 1.11 0.02) = 3.008% kept HB2 LEU 74 - HN ILE 68 16.667% * 1.4715% (0.61 1.0 0.58 5.42) = 1.471% kept QG2 THR 106 - HN ILE 68 16.667% * 0.0407% (0.49 1.0 0.02 0.02) = 0.041% HG3 PRO 59 - HN ILE 68 16.667% * 0.0166% (0.20 1.0 0.02 0.02) = 0.017% Peak 460 (9.46, 8.87, 121.88 ppm): 2 chemical-shift based assignments, quality = 0.951, support = 0.465, residual support = 1.82: T HN HIS+ 98 - HN ILE 68 50.000% * 96.6412% (0.98 10.00 0.45 1.76) = 96.641% kept HN ALA 70 - HN ILE 68 50.000% * 3.3588% (0.15 1.00 0.99 3.42) = 3.359% 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): 12 chemical-shift based assignments, quality = 0.67, support = 1.08, residual support = 0.595: HD2 PRO 116 - HN ASP- 115 8.333% * 46.5966% (0.52 1.82 1.25) = 46.597% kept HA ASN 89 - HN ASP- 115 8.333% * 26.3106% (0.92 0.58 0.02) = 26.311% kept HA LYS+ 44 - HN ASP- 115 8.333% * 14.8183% (0.78 0.38 0.02) = 14.818% kept HB2 SER 77 - HN ASP- 115 8.333% * 9.2592% (0.78 0.24 0.02) = 9.259% kept HA THR 96 - HN ASP- 115 8.333% * 0.7064% (0.71 0.02 0.02) = 0.706% HD2 PRO 86 - HN ASP- 115 8.333% * 0.5901% (0.59 0.02 0.02) = 0.590% HA VAL 125 - HN ASP- 115 8.333% * 0.4362% (0.44 0.02 0.02) = 0.436% HB3 SER 77 - HN ASP- 115 8.333% * 0.3786% (0.38 0.02 0.02) = 0.379% HA ILE 48 - HN ASP- 115 8.333% * 0.3005% (0.30 0.02 0.02) = 0.300% HB THR 96 - HN ASP- 115 8.333% * 0.2166% (0.22 0.02 0.02) = 0.217% HB2 SER 85 - HN ASP- 115 8.333% * 0.2166% (0.22 0.02 0.02) = 0.217% HA LEU 74 - HN ASP- 115 8.333% * 0.1704% (0.17 0.02 0.02) = 0.170% Peak 465 (4.78, 8.26, 122.13 ppm): 8 chemical-shift based assignments, quality = 0.961, support = 1.99, residual support = 12.8: * O HA ASP- 115 - HN ASP- 115 12.500% * 90.5661% (0.98 10.0 2.05 14.01) = 90.566% kept HA PRO 116 - HN ASP- 115 12.500% * 7.7444% (0.95 1.0 1.77 1.25) = 7.744% kept HA LYS+ 113 - HN ASP- 115 12.500% * 0.8600% (0.78 1.0 0.24 0.02) = 0.860% HA ASN 89 - HN ASP- 115 12.500% * 0.6823% (0.26 1.0 0.58 0.02) = 0.682% HA ASN 15 - HN ASP- 115 12.500% * 0.0888% (0.96 1.0 0.02 0.40) = 0.089% HA VAL 40 - HN ASP- 115 12.500% * 0.0226% (0.24 1.0 0.02 0.02) = 0.023% HA MET 118 - HN ASP- 115 12.500% * 0.0179% (0.19 1.0 0.02 0.02) = 0.018% HA HIS+ 5 - HN ASP- 115 12.500% * 0.0179% (0.19 1.0 0.02 0.02) = 0.018% Peak 466 (2.72, 8.26, 122.13 ppm): 6 chemical-shift based assignments, quality = 0.589, support = 2.12, residual support = 13.9: O HB3 ASP- 115 - HN ASP- 115 16.667% * 99.0294% (0.59 10.0 2.14 14.01) = 99.029% kept HA1 GLY 58 - HN ASP- 115 16.667% * 0.6202% (0.95 1.0 0.08 0.02) = 0.620% HB3 HIS+ 6 - HN ASP- 115 16.667% * 0.1544% (0.93 1.0 0.02 0.02) = 0.154% HE3 LYS+ 120 - HN ASP- 115 16.667% * 0.0924% (0.55 1.0 0.02 0.02) = 0.092% HB3 PHE 21 - HN ASP- 115 16.667% * 0.0671% (0.40 1.0 0.02 0.02) = 0.067% HE3 LYS+ 20 - HN ASP- 115 16.667% * 0.0364% (0.22 1.0 0.02 0.17) = 0.036% Peak 467 (4.78, 8.48, 121.74 ppm): 6 chemical-shift based assignments, quality = 0.533, support = 0.868, residual support = 0.815: HA PRO 116 - HN HIS+ 4 16.667% * 63.8654% (0.54 1.06 0.96) = 63.865% kept HA ASP- 115 - HN HIS+ 4 16.667% * 33.3239% (0.52 0.57 0.61) = 33.324% kept HA ASN 15 - HN HIS+ 4 16.667% * 1.2023% (0.54 0.02 0.02) = 1.202% kept HA LYS+ 113 - HN HIS+ 4 16.667% * 1.1124% (0.50 0.02 0.02) = 1.112% kept HA ASN 89 - HN HIS+ 4 16.667% * 0.3101% (0.14 0.02 0.02) = 0.310% HA VAL 40 - HN HIS+ 4 16.667% * 0.1859% (0.08 0.02 0.02) = 0.186% Peak 468 (0.94, 8.48, 121.74 ppm): 10 chemical-shift based assignments, quality = 0.497, support = 0.557, residual support = 0.716: QD1 LEU 17 - HN HIS+ 4 10.000% * 46.4686% (0.50 0.85 1.52) = 46.469% kept QG2 VAL 62 - HN HIS+ 4 10.000% * 24.8601% (0.52 0.43 0.02) = 24.860% kept HG12 ILE 29 - HN HIS+ 4 10.000% * 16.6922% (0.53 0.29 0.02) = 16.692% kept HG3 LYS+ 63 - HN HIS+ 4 10.000% * 5.3407% (0.45 0.11 0.02) = 5.341% kept QG2 VAL 99 - HN HIS+ 4 10.000% * 2.0322% (0.24 0.08 0.02) = 2.032% kept QG1 VAL 105 - HN HIS+ 4 10.000% * 1.1238% (0.51 0.02 0.02) = 1.124% kept QG2 ILE 29 - HN HIS+ 4 10.000% * 1.0966% (0.50 0.02 0.02) = 1.097% kept HG12 ILE 68 - HN HIS+ 4 10.000% * 1.0966% (0.50 0.02 0.02) = 1.097% kept HG LEU 74 - HN HIS+ 4 10.000% * 0.8006% (0.37 0.02 0.02) = 0.801% QG2 VAL 73 - HN HIS+ 4 10.000% * 0.4884% (0.22 0.02 0.02) = 0.488% Peak 469 (8.24, 8.26, 121.80 ppm): 2 diagonal assignments: HN ASP- 115 - HN ASP- 115 (0.17) kept HN VAL 94 - HN VAL 94 (0.01) kept Peak 470 (4.79, 8.26, 121.80 ppm): 12 chemical-shift based assignments, quality = 0.148, support = 1.95, residual support = 12.1: O HA ASP- 115 - HN ASP- 115 8.333% * 85.5765% (0.15 10.0 2.05 14.01) = 85.576% kept HA PRO 116 - HN ASP- 115 8.333% * 9.5540% (0.18 1.0 1.77 1.25) = 9.554% kept HA LYS+ 113 - HN ASP- 115 8.333% * 1.5827% (0.23 1.0 0.24 0.02) = 1.583% kept HA LYS+ 113 - HN VAL 94 8.333% * 1.3785% (0.05 1.0 1.01 0.22) = 1.378% kept HA ASN 89 - HN ASP- 115 8.333% * 1.0046% (0.06 1.0 0.58 0.02) = 1.005% kept HA ASN 89 - HN VAL 94 8.333% * 0.6708% (0.01 1.0 1.88 6.57) = 0.671% HA ASN 15 - HN ASP- 115 8.333% * 0.1025% (0.18 1.0 0.02 0.40) = 0.102% HA GLU- 107 - HN ASP- 115 8.333% * 0.0580% (0.10 1.0 0.02 0.02) = 0.058% HA PRO 116 - HN VAL 94 8.333% * 0.0221% (0.04 1.0 0.02 0.12) = 0.022% HA ASN 15 - HN VAL 94 8.333% * 0.0210% (0.04 1.0 0.02 0.02) = 0.021% HA ASP- 115 - HN VAL 94 8.333% * 0.0175% (0.03 1.0 0.02 0.12) = 0.018% HA GLU- 107 - HN VAL 94 8.333% * 0.0119% (0.02 1.0 0.02 0.02) = 0.012% Peak 471 (2.84, 8.51, 121.79 ppm): 4 chemical-shift based assignments, quality = 0.865, support = 1.46, residual support = 3.4: * HB3 HIS+ 3 - HN HIS+ 4 25.000% * 56.4059% (0.95 1.84 4.74) = 56.406% kept HA1 GLY 58 - HN HIS+ 4 25.000% * 28.5832% (0.77 1.15 2.52) = 28.583% kept HB3 ASN 119 - HN HIS+ 4 25.000% * 14.8896% (0.73 0.64 0.02) = 14.890% kept HE3 LYS+ 111 - HN HIS+ 4 25.000% * 0.1214% (0.19 0.02 0.02) = 0.121% Peak 472 (4.36, 8.51, 121.79 ppm): 15 chemical-shift based assignments, quality = 0.834, support = 2.56, residual support = 4.75: * O HA HIS+ 3 - HN HIS+ 4 6.667% * 50.5746% (0.85 10.0 2.35 4.74) = 50.575% kept O HB3 HIS+ 4 - HN HIS+ 4 6.667% * 48.9166% (0.82 10.0 2.80 4.81) = 48.917% kept HA MET 1 - HN HIS+ 4 6.667% * 0.0563% (0.95 1.0 0.02 0.02) = 0.056% HA VAL 73 - HN HIS+ 4 6.667% * 0.0562% (0.95 1.0 0.02 0.02) = 0.056% HA LYS+ 117 - HN HIS+ 4 6.667% * 0.0559% (0.94 1.0 0.02 0.02) = 0.056% HA1 GLY 26 - HN HIS+ 4 6.667% * 0.0544% (0.92 1.0 0.02 0.02) = 0.054% HA2 GLY 26 - HN HIS+ 4 6.667% * 0.0533% (0.90 1.0 0.02 0.02) = 0.053% HA ASN 89 - HN HIS+ 4 6.667% * 0.0446% (0.75 1.0 0.02 0.02) = 0.045% HA THR 38 - HN HIS+ 4 6.667% * 0.0387% (0.65 1.0 0.02 0.02) = 0.039% HA LYS+ 60 - HN HIS+ 4 6.667% * 0.0319% (0.54 1.0 0.02 0.02) = 0.032% HB THR 61 - HN HIS+ 4 6.667% * 0.0274% (0.46 1.0 0.02 0.02) = 0.027% HA ALA 37 - HN HIS+ 4 6.667% * 0.0274% (0.46 1.0 0.02 0.02) = 0.027% HA ASN 57 - HN HIS+ 4 6.667% * 0.0253% (0.43 1.0 0.02 0.02) = 0.025% HA VAL 94 - HN HIS+ 4 6.667% * 0.0232% (0.39 1.0 0.02 0.02) = 0.023% HA TRP 51 - HN HIS+ 4 6.667% * 0.0141% (0.24 1.0 0.02 7.08) = 0.014% Peak 473 (4.47, 8.51, 121.79 ppm): 11 chemical-shift based assignments, quality = 0.692, support = 0.222, residual support = 0.0516: HA GLU- 50 - HN HIS+ 4 9.091% * 35.2968% (0.76 0.29 0.11) = 35.297% kept HA ASN 76 - HN HIS+ 4 9.091% * 21.9212% (0.32 0.43 0.02) = 21.921% kept HA ILE 100 - HN HIS+ 4 9.091% * 11.0451% (0.92 0.08 0.02) = 11.045% kept HA ILE 101 - HN HIS+ 4 9.091% * 10.8807% (0.90 0.08 0.02) = 10.881% kept HA VAL 99 - HN HIS+ 4 9.091% * 7.4409% (0.61 0.08 0.02) = 7.441% kept HA LYS+ 32 - HN HIS+ 4 9.091% * 3.0145% (0.95 0.02 0.02) = 3.015% kept HA ALA 103 - HN HIS+ 4 9.091% * 3.0078% (0.95 0.02 0.02) = 3.008% kept HA PRO 86 - HN HIS+ 4 9.091% * 2.9878% (0.94 0.02 0.02) = 2.988% kept HA ASN 89 - HN HIS+ 4 9.091% * 1.9529% (0.62 0.02 0.02) = 1.953% kept HA VAL 73 - HN HIS+ 4 9.091% * 1.8557% (0.58 0.02 0.02) = 1.856% kept HA CYS 123 - HN HIS+ 4 9.091% * 0.5966% (0.19 0.02 0.02) = 0.597% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 474 (2.34, 8.51, 121.79 ppm): 6 chemical-shift based assignments, quality = 0.823, support = 1.49, residual support = 3.68: * HB2 HIS+ 3 - HN HIS+ 4 16.667% * 64.9120% (0.95 1.83 4.74) = 64.912% kept HA1 GLY 58 - HN HIS+ 4 16.667% * 24.0946% (0.56 1.15 2.52) = 24.095% kept HB2 CYS 121 - HN HIS+ 4 16.667% * 7.7572% (0.69 0.30 0.02) = 7.757% kept HB2 TYR 83 - HN HIS+ 4 16.667% * 2.4413% (0.69 0.09 0.02) = 2.441% kept HG3 GLU- 50 - HN HIS+ 4 16.667% * 0.6546% (0.88 0.02 0.11) = 0.655% HB3 PRO 86 - HN HIS+ 4 16.667% * 0.1403% (0.19 0.02 0.02) = 0.140% Peak 475 (4.79, 8.51, 121.79 ppm): 6 chemical-shift based assignments, quality = 0.882, support = 0.874, residual support = 0.818: HA PRO 116 - HN HIS+ 4 16.667% * 65.2459% (0.92 1.06 0.96) = 65.246% kept HA ASP- 115 - HN HIS+ 4 16.667% * 31.7073% (0.82 0.57 0.61) = 31.707% kept HA LYS+ 113 - HN HIS+ 4 16.667% * 1.2643% (0.94 0.02 0.02) = 1.264% kept HA ASN 15 - HN HIS+ 4 16.667% * 1.2067% (0.90 0.02 0.02) = 1.207% kept HA ASN 89 - HN HIS+ 4 16.667% * 0.3233% (0.24 0.02 0.02) = 0.323% HA GLU- 107 - HN HIS+ 4 16.667% * 0.2524% (0.19 0.02 0.02) = 0.252% Peak 476 (2.06, 8.51, 121.79 ppm): 13 chemical-shift based assignments, quality = 0.662, support = 0.534, residual support = 0.565: HB3 LYS+ 120 - HN HIS+ 4 7.692% * 35.3633% (0.73 0.61 0.42) = 35.363% kept HG3 ARG+ 53 - HN HIS+ 4 7.692% * 31.8582% (0.94 0.42 0.26) = 31.858% kept HA1 GLY 58 - HN HIS+ 4 7.692% * 13.0817% (0.14 1.15 2.52) = 13.082% kept HB VAL 62 - HN HIS+ 4 7.692% * 8.0256% (0.29 0.34 0.02) = 8.026% kept HB3 GLU- 75 - HN HIS+ 4 7.692% * 7.5894% (0.83 0.11 0.02) = 7.589% kept HB2 GLU- 45 - HN HIS+ 4 7.692% * 0.8649% (0.54 0.02 0.02) = 0.865% HB3 GLU- 10 - HN HIS+ 4 7.692% * 0.7436% (0.46 0.02 0.02) = 0.744% HD3 LYS+ 110 - HN HIS+ 4 7.692% * 0.5734% (0.36 0.02 0.02) = 0.573% HB2 LYS+ 110 - HN HIS+ 4 7.692% * 0.4715% (0.29 0.02 0.02) = 0.472% HG3 PRO 86 - HN HIS+ 4 7.692% * 0.4715% (0.29 0.02 0.02) = 0.472% HB2 LEU 43 - HN HIS+ 4 7.692% * 0.3809% (0.24 0.02 0.02) = 0.381% HB VAL 125 - HN HIS+ 4 7.692% * 0.3401% (0.21 0.02 0.02) = 0.340% HB3 LYS+ 110 - HN HIS+ 4 7.692% * 0.2357% (0.15 0.02 0.02) = 0.236% Peak 477 (1.75, 8.51, 121.79 ppm): 6 chemical-shift based assignments, quality = 0.516, support = 0.67, residual support = 0.755: HB3 GLU- 18 - HN HIS+ 4 16.667% * 45.8142% (0.43 1.07 1.50) = 45.814% kept HB3 ARG+ 53 - HN HIS+ 4 16.667% * 17.9195% (0.43 0.42 0.26) = 17.919% kept HB3 GLU- 50 - HN HIS+ 4 16.667% * 16.4340% (0.36 0.46 0.11) = 16.434% kept HB VAL 94 - HN HIS+ 4 16.667% * 16.1610% (0.94 0.17 0.02) = 16.161% kept HB2 HIS+ 7 - HN HIS+ 4 16.667% * 1.8683% (0.93 0.02 0.02) = 1.868% kept HB2 ARG+ 84 - HN HIS+ 4 16.667% * 1.8030% (0.90 0.02 0.02) = 1.803% kept Peak 478 (8.16, 8.51, 121.79 ppm): 4 chemical-shift based assignments, quality = 0.708, support = 0.753, residual support = 0.272: HN SER 77 - HN HIS+ 4 25.000% * 57.7148% (0.73 1.04 0.34) = 57.715% kept HN SER 41 - HN HIS+ 4 25.000% * 20.7209% (0.94 0.29 0.02) = 20.721% kept HN LYS+ 120 - HN HIS+ 4 25.000% * 17.2465% (0.50 0.45 0.42) = 17.247% kept HN ASN 119 - HN HIS+ 4 25.000% * 4.3178% (0.19 0.30 0.02) = 4.318% kept Peak 479 (1.97, 8.34, 121.88 ppm): 9 chemical-shift based assignments, quality = 0.797, support = 2.4, residual support = 14.4: O HB3 GLU- 109 - HN GLU- 109 11.111% * 93.5346% (0.82 10.0 2.42 15.22) = 93.535% kept * HB2 LYS+ 108 - HN GLU- 109 11.111% * 6.0038% (0.46 1.0 2.29 3.41) = 6.004% kept HG3 PRO 104 - HN GLU- 109 11.111% * 0.1020% (0.90 1.0 0.02 0.02) = 0.102% HB VAL 122 - HN GLU- 109 11.111% * 0.0901% (0.79 1.0 0.02 0.02) = 0.090% HB VAL 13 - HN GLU- 109 11.111% * 0.0824% (0.72 1.0 0.02 0.02) = 0.082% HG3 PRO 116 - HN GLU- 109 11.111% * 0.0783% (0.69 1.0 0.02 0.02) = 0.078% HG3 PRO 31 - HN GLU- 109 11.111% * 0.0443% (0.39 1.0 0.02 0.02) = 0.044% HB3 LYS+ 55 - HN GLU- 109 11.111% * 0.0405% (0.36 1.0 0.02 0.02) = 0.040% HB2 GLU- 75 - HN GLU- 109 11.111% * 0.0240% (0.21 1.0 0.02 0.02) = 0.024% Peak 480 (8.34, 8.34, 121.88 ppm): 1 diagonal assignment: * HN GLU- 109 - HN GLU- 109 (0.88) kept Peak 481 (4.21, 8.34, 121.88 ppm): 17 chemical-shift based assignments, quality = 0.899, support = 2.18, residual support = 14.4: * O HA GLU- 109 - HN GLU- 109 5.882% * 92.2526% (0.91 10.0 2.28 15.22) = 92.253% kept HA LYS+ 110 - HN GLU- 109 5.882% * 5.2480% (0.82 1.0 1.27 7.64) = 5.248% kept HA ASN 89 - HN GLU- 109 5.882% * 1.2917% (0.89 1.0 0.29 0.02) = 1.292% kept HA VAL 73 - HN GLU- 109 5.882% * 0.4484% (0.29 1.0 0.31 0.02) = 0.448% HA ALA 11 - HN GLU- 109 5.882% * 0.0954% (0.95 1.0 0.02 0.02) = 0.095% HB3 HIS+ 14 - HN GLU- 109 5.882% * 0.0947% (0.94 1.0 0.02 0.02) = 0.095% HA GLU- 12 - HN GLU- 109 5.882% * 0.0882% (0.88 1.0 0.02 0.02) = 0.088% HB3 SER 49 - HN GLU- 109 5.882% * 0.0857% (0.85 1.0 0.02 0.02) = 0.086% HA ALA 42 - HN GLU- 109 5.882% * 0.0798% (0.79 1.0 0.02 0.02) = 0.080% HA ASP- 82 - HN GLU- 109 5.882% * 0.0731% (0.72 1.0 0.02 0.02) = 0.073% HA GLU- 64 - HN GLU- 109 5.882% * 0.0465% (0.46 1.0 0.02 0.02) = 0.047% HA GLU- 18 - HN GLU- 109 5.882% * 0.0465% (0.46 1.0 0.02 0.02) = 0.047% HA SER 49 - HN GLU- 109 5.882% * 0.0429% (0.42 1.0 0.02 0.02) = 0.043% HA GLU- 54 - HN GLU- 109 5.882% * 0.0359% (0.36 1.0 0.02 0.02) = 0.036% HA HIS+ 8 - HN GLU- 109 5.882% * 0.0266% (0.26 1.0 0.02 0.02) = 0.027% HA MET 126 - HN GLU- 109 5.882% * 0.0238% (0.24 1.0 0.02 0.02) = 0.024% HA LYS+ 44 - HN GLU- 109 5.882% * 0.0201% (0.20 1.0 0.02 0.02) = 0.020% Peak 482 (2.22, 8.34, 121.88 ppm): 15 chemical-shift based assignments, quality = 0.822, support = 2.22, residual support = 12.7: * HG3 GLU- 109 - HN GLU- 109 6.667% * 83.3898% (0.88 2.63 15.22) = 83.390% kept HG3 MET 118 - HN GLU- 109 6.667% * 9.0630% (0.93 0.27 0.02) = 9.063% kept HA1 GLY 58 - HN GLU- 109 6.667% * 2.3281% (0.34 0.19 0.02) = 2.328% kept HG3 GLU- 18 - HN GLU- 109 6.667% * 0.6848% (0.95 0.02 0.02) = 0.685% HG3 GLU- 107 - HN GLU- 109 6.667% * 0.6802% (0.94 0.02 0.02) = 0.680% HB2 GLU- 50 - HN GLU- 109 6.667% * 0.6727% (0.93 0.02 0.02) = 0.673% HB3 PRO 52 - HN GLU- 109 6.667% * 0.6335% (0.88 0.02 0.02) = 0.634% HG3 MET 126 - HN GLU- 109 6.667% * 0.5953% (0.82 0.02 0.02) = 0.595% HG3 GLU- 75 - HN GLU- 109 6.667% * 0.4984% (0.69 0.02 0.02) = 0.498% HG3 GLU- 54 - HN GLU- 109 6.667% * 0.3611% (0.50 0.02 0.02) = 0.361% HG3 GLU- 10 - HN GLU- 109 6.667% * 0.3077% (0.42 0.02 0.02) = 0.308% HG2 GLU- 56 - HN GLU- 109 6.667% * 0.2821% (0.39 0.02 0.02) = 0.282% HB2 LYS+ 113 - HN GLU- 109 6.667% * 0.2576% (0.36 0.02 0.02) = 0.258% HG2 MET 126 - HN GLU- 109 6.667% * 0.1528% (0.21 0.02 0.02) = 0.153% HB VAL 80 - HN GLU- 109 6.667% * 0.0929% (0.13 0.02 0.02) = 0.093% 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 = 0.848, support = 0.339, residual support = 0.675: HG2 LYS+ 110 - HN LEU 90 10.000% * 32.1702% (1.00 0.41 0.02) = 32.170% kept HD3 LYS+ 32 - HN LEU 90 10.000% * 25.2986% (0.87 0.37 0.02) = 25.299% kept HB3 LEU 17 - HN LEU 90 10.000% * 23.9494% (0.94 0.32 2.76) = 23.949% kept HB3 LYS+ 32 - HN LEU 90 10.000% * 10.0647% (0.37 0.34 0.02) = 10.065% kept HG12 ILE 101 - HN LEU 90 10.000% * 3.2569% (0.53 0.08 0.02) = 3.257% kept HG3 LYS+ 110 - HN LEU 90 10.000% * 1.5744% (1.00 0.02 0.02) = 1.574% kept HG3 LYS+ 78 - HN LEU 90 10.000% * 1.3180% (0.83 0.02 0.02) = 1.318% kept HB2 LEU 67 - HN LEU 90 10.000% * 0.8302% (0.53 0.02 0.02) = 0.830% HB ILE 100 - HN LEU 90 10.000% * 0.8302% (0.53 0.02 0.02) = 0.830% HG LEU 23 - HN LEU 90 10.000% * 0.7074% (0.45 0.02 0.15) = 0.707% Peak 492 (4.29, 7.88, 121.81 ppm): 14 chemical-shift based assignments, quality = 0.915, support = 2.84, residual support = 8.87: * O HA LEU 90 - HN LEU 90 7.143% * 50.6542% (1.00 10.0 2.90 5.79) = 50.654% kept O HA ASN 89 - HN LEU 90 7.143% * 43.9744% (0.87 10.0 2.89 12.86) = 43.974% kept HA ALA 91 - HN LEU 90 7.143% * 3.0837% (0.57 1.0 2.15 9.23) = 3.084% kept HD3 PRO 59 - HN LEU 90 7.143% * 2.0278% (0.53 1.0 1.52 0.02) = 2.028% kept HA THR 106 - HN LEU 90 7.143% * 0.0489% (0.96 1.0 0.02 0.02) = 0.049% HA VAL 73 - HN LEU 90 7.143% * 0.0378% (0.74 1.0 0.02 0.02) = 0.038% HA PRO 104 - HN LEU 90 7.143% * 0.0368% (0.73 1.0 0.02 0.02) = 0.037% HA PRO 52 - HN LEU 90 7.143% * 0.0267% (0.53 1.0 0.02 0.02) = 0.027% HA SER 85 - HN LEU 90 7.143% * 0.0267% (0.53 1.0 0.02 0.02) = 0.027% HA VAL 65 - HN LEU 90 7.143% * 0.0227% (0.45 1.0 0.02 0.02) = 0.023% HA ILE 29 - HN LEU 90 7.143% * 0.0208% (0.41 1.0 0.02 0.02) = 0.021% HA ARG+ 84 - HN LEU 90 7.143% * 0.0208% (0.41 1.0 0.02 0.68) = 0.021% HA PRO 112 - HN LEU 90 7.143% * 0.0100% (0.20 1.0 0.02 0.02) = 0.010% HA GLU- 75 - HN LEU 90 7.143% * 0.0089% (0.17 1.0 0.02 0.45) = 0.009% Peak 493 (4.68, 7.88, 121.81 ppm): 8 chemical-shift based assignments, quality = 0.364, support = 2.85, residual support = 12.7: O HA ASN 89 - HN LEU 90 12.500% * 98.7659% (0.37 10.0 2.89 12.86) = 98.766% kept HA TYR 83 - HN LEU 90 12.500% * 0.2529% (0.94 1.0 0.02 0.02) = 0.253% HA ASN 119 - HN LEU 90 12.500% * 0.2468% (0.92 1.0 0.02 0.02) = 0.247% HA THR 61 - HN LEU 90 12.500% * 0.2233% (0.83 1.0 0.02 0.02) = 0.223% HA GLN 16 - HN LEU 90 12.500% * 0.2141% (0.80 1.0 0.02 0.02) = 0.214% HA ASP- 36 - HN LEU 90 12.500% * 0.1302% (0.49 1.0 0.02 0.02) = 0.130% HA LYS+ 120 - HN LEU 90 12.500% * 0.1199% (0.45 1.0 0.02 0.02) = 0.120% HA LYS+ 20 - HN LEU 90 12.500% * 0.0468% (0.17 1.0 0.02 0.02) = 0.047% Peak 494 (8.29, 7.88, 121.81 ppm): 8 chemical-shift based assignments, quality = 0.775, support = 2.11, residual support = 8.59: * HN ALA 91 - HN LEU 90 12.500% * 43.2373% (0.76 2.70 9.23) = 43.237% kept HN ASN 89 - HN LEU 90 12.500% * 35.6526% (0.76 2.23 12.86) = 35.653% kept HN ASP- 28 - HN LEU 90 12.500% * 15.6609% (1.00 0.75 0.10) = 15.661% kept HN HIS+ 7 - HN LEU 90 12.500% * 4.4383% (0.37 0.57 0.02) = 4.438% kept HN HIS+ 8 - HN LEU 90 12.500% * 0.4148% (0.99 0.02 0.02) = 0.415% HN LEU 9 - HN LEU 90 12.500% * 0.3754% (0.90 0.02 0.02) = 0.375% HN GLN 16 - HN LEU 90 12.500% * 0.1164% (0.28 0.02 0.02) = 0.116% HN VAL 99 - HN LEU 90 12.500% * 0.1044% (0.25 0.02 0.02) = 0.104% Peak 495 (0.87, 7.88, 121.81 ppm): 13 chemical-shift based assignments, quality = 0.698, support = 0.929, residual support = 3.18: QD1 LEU 90 - HN LEU 90 7.692% * 53.2455% (0.92 1.27 5.79) = 53.245% kept HG2 LYS+ 117 - HN LEU 90 7.692% * 12.2422% (0.28 0.97 0.39) = 12.242% kept HG3 LYS+ 117 - HN LEU 90 7.692% * 11.7363% (0.41 0.63 0.39) = 11.736% kept QG2 ILE 100 - HN LEU 90 7.692% * 10.6697% (0.94 0.25 0.02) = 10.670% kept QG2 VAL 13 - HN LEU 90 7.692% * 5.7927% (0.22 0.57 0.02) = 5.793% kept HB ILE 101 - HN LEU 90 7.692% * 2.0194% (0.57 0.08 0.02) = 2.019% kept QG2 VAL 122 - HN LEU 90 7.692% * 0.8912% (0.98 0.02 0.02) = 0.891% QG1 VAL 40 - HN LEU 90 7.692% * 0.7280% (0.80 0.02 0.02) = 0.728% QG2 VAL 125 - HN LEU 90 7.692% * 0.6948% (0.76 0.02 0.02) = 0.695% QG2 VAL 47 - HN LEU 90 7.692% * 0.6602% (0.73 0.02 0.02) = 0.660% QG1 VAL 122 - HN LEU 90 7.692% * 0.5147% (0.57 0.02 0.02) = 0.515% HG LEU 74 - HN LEU 90 7.692% * 0.4315% (0.47 0.02 0.02) = 0.431% QG1 VAL 80 - HN LEU 90 7.692% * 0.3738% (0.41 0.02 0.02) = 0.374% Peak 496 (2.80, 7.88, 121.81 ppm): 9 chemical-shift based assignments, quality = 0.825, support = 1.39, residual support = 8.45: HB3 ASN 89 - HN LEU 90 11.111% * 65.4782% (0.83 1.95 12.86) = 65.478% kept HE3 LYS+ 32 - HN LEU 90 11.111% * 16.4446% (0.90 0.46 0.02) = 16.445% kept HA1 GLY 58 - HN LEU 90 11.111% * 9.4535% (0.88 0.27 0.27) = 9.453% kept HE3 LYS+ 111 - HN LEU 90 11.111% * 3.7585% (0.73 0.13 0.02) = 3.758% kept HB3 ASN 57 - HN LEU 90 11.111% * 3.3219% (0.65 0.13 0.02) = 3.322% kept HA2 GLY 58 - HN LEU 90 11.111% * 0.7748% (0.96 0.02 0.27) = 0.775% HB2 ASN 119 - HN LEU 90 11.111% * 0.5193% (0.65 0.02 0.02) = 0.519% HB3 ASN 119 - HN LEU 90 11.111% * 0.1406% (0.17 0.02 0.02) = 0.141% HB3 ASN 15 - HN LEU 90 11.111% * 0.1086% (0.14 0.02 0.02) = 0.109% Peak 497 (4.81, 7.88, 121.81 ppm): 7 chemical-shift based assignments, quality = 0.231, support = 2.85, residual support = 12.7: O HA ASN 89 - HN LEU 90 14.286% * 98.9159% (0.23 10.0 2.89 12.86) = 98.916% kept HA GLU- 107 - HN LEU 90 14.286% * 0.3903% (0.92 1.0 0.02 0.02) = 0.390% HA MET 97 - HN LEU 90 14.286% * 0.2394% (0.57 1.0 0.02 0.02) = 0.239% HA LYS+ 113 - HN LEU 90 14.286% * 0.1896% (0.45 1.0 0.02 0.02) = 0.190% HA PRO 116 - HN LEU 90 14.286% * 0.1054% (0.25 1.0 0.02 0.18) = 0.105% HA ASN 15 - HN LEU 90 14.286% * 0.0941% (0.22 1.0 0.02 0.02) = 0.094% HA ASP- 115 - HN LEU 90 14.286% * 0.0652% (0.15 1.0 0.02 0.02) = 0.065% Peak 500 (2.11, 9.30, 121.49 ppm): 13 chemical-shift based assignments, quality = 0.511, support = 2.74, residual support = 13.4: HB2 ASP- 28 - HN ILE 29 7.692% * 55.5718% (0.34 4.28 23.50) = 55.572% kept HG3 GLU- 56 - HN ILE 29 7.692% * 27.5923% (0.98 0.74 0.31) = 27.592% kept HA1 GLY 58 - HN ILE 29 7.692% * 11.0018% (0.20 1.42 2.32) = 11.002% kept HB3 GLU- 75 - HN ILE 29 7.692% * 3.0480% (0.95 0.08 0.02) = 3.048% kept HB3 LEU 43 - HN ILE 29 7.692% * 0.7344% (0.96 0.02 0.02) = 0.734% HB VAL 65 - HN ILE 29 7.692% * 0.4616% (0.61 0.02 0.02) = 0.462% HB VAL 87 - HN ILE 29 7.692% * 0.4308% (0.57 0.02 0.02) = 0.431% HB VAL 47 - HN ILE 29 7.692% * 0.2596% (0.34 0.02 0.02) = 0.260% HB VAL 125 - HN ILE 29 7.692% * 0.2349% (0.31 0.02 0.02) = 0.235% HB2 LEU 43 - HN ILE 29 7.692% * 0.2116% (0.28 0.02 0.02) = 0.212% HB2 LYS+ 110 - HN ILE 29 7.692% * 0.1694% (0.22 0.02 0.02) = 0.169% HG3 GLN 102 - HN ILE 29 7.692% * 0.1506% (0.20 0.02 0.02) = 0.151% HD3 LYS+ 110 - HN ILE 29 7.692% * 0.1333% (0.17 0.02 0.02) = 0.133% Peak 501 (1.92, 9.30, 121.49 ppm): 14 chemical-shift based assignments, quality = 0.781, support = 5.09, residual support = 57.9: O HB ILE 29 - HN ILE 29 7.143% * 87.6933% (0.76 10.0 5.60 65.06) = 87.693% kept HB2 LEU 23 - HN ILE 29 7.143% * 9.7609% (0.96 1.0 1.76 8.51) = 9.761% kept HB3 GLU- 56 - HN ILE 29 7.143% * 1.7449% (0.98 1.0 0.31 0.31) = 1.745% kept HD3 LYS+ 63 - HN ILE 29 7.143% * 0.1125% (0.98 1.0 0.02 0.02) = 0.112% HB2 GLU- 75 - HN ILE 29 7.143% * 0.1081% (0.22 1.0 0.08 0.02) = 0.108% HB3 PRO 35 - HN ILE 29 7.143% * 0.1029% (0.90 1.0 0.02 0.02) = 0.103% HB3 GLN 102 - HN ILE 29 7.143% * 0.0995% (0.87 1.0 0.02 0.02) = 0.100% HB3 GLU- 54 - HN ILE 29 7.143% * 0.0958% (0.83 1.0 0.02 0.02) = 0.096% HB3 MET 118 - HN ILE 29 7.143% * 0.0788% (0.69 1.0 0.02 0.02) = 0.079% HB2 PRO 116 - HN ILE 29 7.143% * 0.0559% (0.49 1.0 0.02 0.02) = 0.056% HB3 CYS 123 - HN ILE 29 7.143% * 0.0514% (0.45 1.0 0.02 0.02) = 0.051% HG2 PRO 112 - HN ILE 29 7.143% * 0.0472% (0.41 1.0 0.02 0.02) = 0.047% HG2 GLU- 18 - HN ILE 29 7.143% * 0.0286% (0.25 1.0 0.02 0.02) = 0.029% HB3 GLN 16 - HN ILE 29 7.143% * 0.0201% (0.17 1.0 0.02 0.61) = 0.020% Peak 502 (1.55, 9.30, 121.49 ppm): 11 chemical-shift based assignments, quality = 0.915, support = 4.41, residual support = 48.0: * HG13 ILE 29 - HN ILE 29 9.091% * 71.3347% (1.00 5.73 65.06) = 71.335% kept HB3 LEU 23 - HN ILE 29 9.091% * 13.0944% (0.73 1.45 8.51) = 13.094% kept HG LEU 17 - HN ILE 29 9.091% * 8.3592% (0.57 1.19 5.11) = 8.359% kept QG2 THR 24 - HN ILE 29 9.091% * 6.1734% (0.98 0.51 0.02) = 6.173% kept HB3 LEU 9 - HN ILE 29 9.091% * 0.2440% (0.98 0.02 0.02) = 0.244% HB3 LEU 90 - HN ILE 29 9.091% * 0.2440% (0.98 0.02 0.02) = 0.244% HD3 LYS+ 60 - HN ILE 29 9.091% * 0.1610% (0.65 0.02 0.02) = 0.161% HB ILE 19 - HN ILE 29 9.091% * 0.1310% (0.53 0.02 0.02) = 0.131% HG3 LYS+ 60 - HN ILE 29 9.091% * 0.1212% (0.49 0.02 0.02) = 0.121% QG2 VAL 80 - HN ILE 29 9.091% * 0.0934% (0.37 0.02 0.02) = 0.093% HG LEU 9 - HN ILE 29 9.091% * 0.0436% (0.17 0.02 0.02) = 0.044% Peak 503 (0.95, 9.30, 121.49 ppm): 10 chemical-shift based assignments, quality = 0.949, support = 5.4, residual support = 57.2: HG12 ILE 29 - HN ILE 29 10.000% * 45.9503% (0.98 6.37 65.06) = 45.950% kept * QG2 ILE 29 - HN ILE 29 10.000% * 41.3892% (1.00 5.63 65.06) = 41.389% kept QD1 LEU 17 - HN ILE 29 10.000% * 7.0682% (0.73 1.32 5.11) = 7.068% kept HG LEU 74 - HN ILE 29 10.000% * 4.9732% (0.69 0.98 0.19) = 4.973% kept HG12 ILE 68 - HN ILE 29 10.000% * 0.1471% (1.00 0.02 0.02) = 0.147% QG2 VAL 62 - HN ILE 29 10.000% * 0.1458% (0.99 0.02 0.02) = 0.146% HG3 LYS+ 63 - HN ILE 29 10.000% * 0.1442% (0.98 0.02 0.02) = 0.144% QG1 VAL 105 - HN ILE 29 10.000% * 0.1125% (0.76 0.02 0.02) = 0.112% QG2 VAL 99 - HN ILE 29 10.000% * 0.0367% (0.25 0.02 0.02) = 0.037% QG2 VAL 73 - HN ILE 29 10.000% * 0.0328% (0.22 0.02 0.02) = 0.033% Peak 504 (8.93, 9.30, 121.49 ppm): 4 chemical-shift based assignments, quality = 0.698, support = 2.16, residual support = 15.0: T HN PHE 21 - HN ILE 29 25.000% * 87.9239% (0.73 10.00 2.10 16.57) = 87.924% kept HN ARG+ 22 - HN ILE 29 25.000% * 9.9520% (0.53 1.00 3.12 3.88) = 9.952% kept HN THR 96 - HN ILE 29 25.000% * 1.3475% (0.61 1.00 0.37 0.02) = 1.348% kept HN GLN 102 - HN ILE 29 25.000% * 0.7766% (0.37 1.00 0.34 0.02) = 0.777% Peak 505 (2.97, 9.30, 121.49 ppm): 6 chemical-shift based assignments, quality = 0.727, support = 1.69, residual support = 10.1: HB2 PHE 21 - HN ILE 29 16.667% * 57.7454% (0.87 2.18 16.57) = 57.745% kept HA1 GLY 58 - HN ILE 29 16.667% * 24.0550% (0.55 1.42 2.32) = 24.055% kept HE2 LYS+ 117 - HN ILE 29 16.667% * 8.6489% (0.53 0.54 0.02) = 8.649% kept HE3 LYS+ 113 - HN ILE 29 16.667% * 8.4679% (0.57 0.49 0.02) = 8.468% kept HE3 LYS+ 55 - HN ILE 29 16.667% * 0.8320% (0.28 0.10 0.02) = 0.832% HB3 ASN 76 - HN ILE 29 16.667% * 0.2508% (0.41 0.02 0.02) = 0.251% Peak 506 (1.37, 8.21, 121.57 ppm): 10 chemical-shift based assignments, quality = 0.664, support = 1.74, residual support = 4.56: HB3 LYS+ 20 - HN VAL 94 10.000% * 41.7961% (0.87 2.36 5.49) = 41.796% kept HB2 LYS+ 20 - HN VAL 94 10.000% * 21.6494% (0.75 1.41 5.49) = 21.649% kept HG3 LYS+ 20 - HN VAL 94 10.000% * 10.0369% (0.24 2.04 5.49) = 10.037% kept HD3 LYS+ 20 - HN VAL 94 10.000% * 9.0565% (0.30 1.50 5.49) = 9.057% kept HG13 ILE 19 - HN VAL 94 10.000% * 9.0313% (0.46 0.97 0.16) = 9.031% kept HG LEU 74 - HN VAL 94 10.000% * 3.9405% (0.44 0.44 0.26) = 3.941% kept QB ALA 91 - HN VAL 94 10.000% * 2.5903% (0.66 0.19 0.02) = 2.590% kept HG2 LYS+ 78 - HN VAL 94 10.000% * 1.3708% (0.87 0.08 0.02) = 1.371% kept QG2 THR 39 - HN VAL 94 10.000% * 0.3274% (0.80 0.02 0.02) = 0.327% HG3 ARG+ 22 - HN VAL 94 10.000% * 0.2008% (0.49 0.02 0.02) = 0.201% Peak 507 (4.32, 8.21, 121.57 ppm): 8 chemical-shift based assignments, quality = 0.47, support = 2.21, residual support = 9.12: O HA VAL 94 - HN VAL 94 12.500% * 64.7463% (0.33 10.0 2.37 12.16) = 64.746% kept HA VAL 73 - HN VAL 94 12.500% * 17.6880% (0.77 1.0 2.32 1.98) = 17.688% kept HA ASN 89 - HN VAL 94 12.500% * 13.6194% (0.73 1.0 1.88 6.57) = 13.619% kept HA PRO 112 - HN VAL 94 12.500% * 2.7537% (0.87 1.0 0.32 0.02) = 2.754% kept HA LEU 90 - HN VAL 94 12.500% * 0.8800% (0.17 1.0 0.52 0.02) = 0.880% HA ILE 29 - HN VAL 94 12.500% * 0.1547% (0.78 1.0 0.02 0.02) = 0.155% HA PRO 104 - HN VAL 94 12.500% * 0.1046% (0.53 1.0 0.02 1.22) = 0.105% HB THR 61 - HN VAL 94 12.500% * 0.0532% (0.27 1.0 0.02 0.02) = 0.053% Peak 508 (0.80, 8.21, 121.57 ppm): 10 chemical-shift based assignments, quality = 0.553, support = 1.64, residual support = 4.26: * QB ALA 93 - HN VAL 94 10.000% * 35.9686% (0.87 1.34 1.07) = 35.969% kept QG1 VAL 94 - HN VAL 94 10.000% * 31.4651% (0.33 3.13 12.16) = 31.465% kept HG3 LYS+ 113 - HN VAL 94 10.000% * 9.7557% (0.42 0.75 0.22) = 9.756% kept QD2 LEU 90 - HN VAL 94 10.000% * 7.5089% (0.63 0.39 0.02) = 7.509% kept HG2 LYS+ 113 - HN VAL 94 10.000% * 6.2208% (0.27 0.75 0.22) = 6.221% kept QD2 LEU 17 - HN VAL 94 10.000% * 4.4250% (0.53 0.27 0.02) = 4.425% kept HG LEU 74 - HN VAL 94 10.000% * 3.6070% (0.27 0.44 0.26) = 3.607% kept QD2 LEU 67 - HN VAL 94 10.000% * 0.5072% (0.82 0.02 0.02) = 0.507% QD1 ILE 100 - HN VAL 94 10.000% * 0.4478% (0.72 0.02 0.02) = 0.448% QG1 VAL 13 - HN VAL 94 10.000% * 0.0939% (0.15 0.02 0.02) = 0.094% 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): 15 chemical-shift based assignments, quality = 0.571, support = 0.604, residual support = 2.25: HB3 LYS+ 113 - HN VAL 94 6.667% * 34.0142% (0.86 0.52 0.22) = 34.014% kept HD3 LYS+ 72 - HN VAL 94 6.667% * 25.8007% (0.42 0.80 7.12) = 25.801% kept HB VAL 73 - HN VAL 94 6.667% * 16.9385% (0.19 1.15 1.98) = 16.939% kept HG2 PRO 31 - HN VAL 94 6.667% * 9.1974% (0.66 0.18 0.02) = 9.197% kept HB3 GLU- 18 - HN VAL 94 6.667% * 3.7506% (0.27 0.18 0.02) = 3.751% kept HB3 LYS+ 117 - HN VAL 94 6.667% * 1.3210% (0.87 0.02 0.02) = 1.321% kept HB3 LYS+ 108 - HN VAL 94 6.667% * 1.3180% (0.87 0.02 0.14) = 1.318% kept HB2 LYS+ 117 - HN VAL 94 6.667% * 1.3093% (0.86 0.02 0.02) = 1.309% kept HB3 LYS+ 44 - HN VAL 94 6.667% * 1.2948% (0.85 0.02 0.02) = 1.295% kept HB3 HIS+ 7 - HN VAL 94 6.667% * 1.2948% (0.85 0.02 0.02) = 1.295% kept HB3 LYS+ 63 - HN VAL 94 6.667% * 1.1847% (0.78 0.02 0.02) = 1.185% kept HB3 PRO 116 - HN VAL 94 6.667% * 0.9592% (0.63 0.02 0.12) = 0.959% HB2 GLU- 109 - HN VAL 94 6.667% * 0.8012% (0.53 0.02 0.02) = 0.801% HD3 LYS+ 117 - HN VAL 94 6.667% * 0.4077% (0.27 0.02 0.02) = 0.408% HB3 ARG+ 53 - HN VAL 94 6.667% * 0.4077% (0.27 0.02 0.02) = 0.408% 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): 4 chemical-shift based assignments, quality = 0.441, support = 0.386, residual support = 0.189: HA THR 95 - HN HIS+ 4 25.000% * 70.5796% (0.52 0.42 0.22) = 70.580% kept HA ILE 19 - HN HIS+ 4 25.000% * 27.6879% (0.26 0.33 0.13) = 27.688% kept HA SER 69 - HN HIS+ 4 25.000% * 0.8769% (0.14 0.02 0.02) = 0.877% HA ASN 89 - HN HIS+ 4 25.000% * 0.8556% (0.13 0.02 0.02) = 0.856% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 514 (1.77, 8.49, 121.70 ppm): 11 chemical-shift based assignments, quality = 0.501, support = 0.79, residual support = 0.955: HB3 GLU- 18 - HN HIS+ 4 9.091% * 47.2885% (0.59 1.07 1.50) = 47.289% kept HB3 PRO 116 - HN HIS+ 4 9.091% * 20.4636% (0.31 0.90 0.96) = 20.464% kept HB3 ARG+ 53 - HN HIS+ 4 9.091% * 18.4961% (0.59 0.42 0.26) = 18.496% kept HB VAL 94 - HN HIS+ 4 9.091% * 7.2657% (0.57 0.17 0.02) = 7.266% kept HB2 LYS+ 117 - HN HIS+ 4 9.091% * 2.3907% (0.11 0.30 0.02) = 2.391% kept HB3 LYS+ 63 - HN HIS+ 4 9.091% * 1.5217% (0.19 0.11 0.02) = 1.522% kept HB2 ARG+ 84 - HN HIS+ 4 9.091% * 0.9387% (0.63 0.02 0.02) = 0.939% HB2 HIS+ 7 - HN HIS+ 4 9.091% * 0.8820% (0.59 0.02 0.02) = 0.882% HG2 PRO 31 - HN HIS+ 4 9.091% * 0.4180% (0.28 0.02 0.02) = 0.418% HB3 HIS+ 7 - HN HIS+ 4 9.091% * 0.1781% (0.12 0.02 0.02) = 0.178% HB3 LYS+ 113 - HN HIS+ 4 9.091% * 0.1569% (0.11 0.02 0.02) = 0.157% Peak 515 (4.25, 8.49, 121.70 ppm): 19 chemical-shift based assignments, quality = 0.648, support = 1.29, residual support = 4.28: * O HA HIS+ 4 - HN HIS+ 4 5.263% * 87.6607% (0.69 10.0 1.37 4.81) = 87.661% kept HA GLU- 18 - HN HIS+ 4 5.263% * 4.0074% (0.28 1.0 1.53 1.50) = 4.007% kept HA PRO 59 - HN HIS+ 4 5.263% * 3.5256% (0.65 1.0 0.58 0.02) = 3.526% kept HA2 GLY 114 - HN HIS+ 4 5.263% * 1.5285% (0.67 1.0 0.24 0.02) = 1.529% kept HD3 PRO 59 - HN HIS+ 4 5.263% * 1.1503% (0.21 1.0 0.58 0.02) = 1.150% kept HA ARG+ 84 - HN HIS+ 4 5.263% * 0.7878% (0.28 1.0 0.30 0.02) = 0.788% HA GLU- 75 - HN HIS+ 4 5.263% * 0.5282% (0.50 1.0 0.11 0.02) = 0.528% HA LYS+ 108 - HN HIS+ 4 5.263% * 0.1233% (0.66 1.0 0.02 0.02) = 0.123% HA GLU- 56 - HN HIS+ 4 5.263% * 0.1180% (0.63 1.0 0.02 0.02) = 0.118% HA ASN 89 - HN HIS+ 4 5.263% * 0.1160% (0.62 1.0 0.02 0.02) = 0.116% HA HIS+ 8 - HN HIS+ 4 5.263% * 0.0827% (0.44 1.0 0.02 0.02) = 0.083% HA GLU- 54 - HN HIS+ 4 5.263% * 0.0672% (0.36 1.0 0.02 0.02) = 0.067% HA VAL 73 - HN HIS+ 4 5.263% * 0.0649% (0.35 1.0 0.02 0.02) = 0.065% HA SER 49 - HN HIS+ 4 5.263% * 0.0573% (0.31 1.0 0.02 0.02) = 0.057% HA VAL 65 - HN HIS+ 4 5.263% * 0.0480% (0.26 1.0 0.02 0.02) = 0.048% HA PRO 52 - HN HIS+ 4 5.263% * 0.0394% (0.21 1.0 0.02 0.02) = 0.039% HA SER 85 - HN HIS+ 4 5.263% * 0.0394% (0.21 1.0 0.02 0.02) = 0.039% HA ALA 91 - HN HIS+ 4 5.263% * 0.0355% (0.19 1.0 0.02 0.02) = 0.036% HA ALA 42 - HN HIS+ 4 5.263% * 0.0197% (0.11 1.0 0.02 0.02) = 0.020% Peak 516 (4.36, 8.49, 121.70 ppm): 15 chemical-shift based assignments, quality = 0.601, support = 2.57, residual support = 4.75: O HB3 HIS+ 4 - HN HIS+ 4 6.667% * 52.2237% (0.63 10.0 2.80 4.81) = 52.224% kept O HA HIS+ 3 - HN HIS+ 4 6.667% * 47.2540% (0.57 10.0 2.35 4.74) = 47.254% kept HA LYS+ 117 - HN HIS+ 4 6.667% * 0.0566% (0.69 1.0 0.02 0.02) = 0.057% HA VAL 73 - HN HIS+ 4 6.667% * 0.0564% (0.68 1.0 0.02 0.02) = 0.056% HA2 GLY 26 - HN HIS+ 4 6.667% * 0.0555% (0.67 1.0 0.02 0.02) = 0.055% HA MET 1 - HN HIS+ 4 6.667% * 0.0555% (0.67 1.0 0.02 0.02) = 0.055% HA1 GLY 26 - HN HIS+ 4 6.667% * 0.0522% (0.63 1.0 0.02 0.02) = 0.052% HA ASN 89 - HN HIS+ 4 6.667% * 0.0446% (0.54 1.0 0.02 0.02) = 0.045% HA THR 38 - HN HIS+ 4 6.667% * 0.0432% (0.52 1.0 0.02 0.02) = 0.043% HA LYS+ 60 - HN HIS+ 4 6.667% * 0.0366% (0.44 1.0 0.02 0.02) = 0.037% HA ALA 37 - HN HIS+ 4 6.667% * 0.0320% (0.39 1.0 0.02 0.02) = 0.032% HA ASN 57 - HN HIS+ 4 6.667% * 0.0298% (0.36 1.0 0.02 0.02) = 0.030% HB THR 61 - HN HIS+ 4 6.667% * 0.0233% (0.28 1.0 0.02 0.02) = 0.023% HA VAL 94 - HN HIS+ 4 6.667% * 0.0193% (0.23 1.0 0.02 0.02) = 0.019% HA TRP 51 - HN HIS+ 4 6.667% * 0.0175% (0.21 1.0 0.02 7.08) = 0.017% Peak 517 (1.37, 8.22, 121.46 ppm): 20 chemical-shift based assignments, quality = 0.699, support = 1.63, residual support = 4.15: HB3 LYS+ 20 - HN VAL 94 5.000% * 38.1430% (0.99 2.36 5.49) = 38.143% kept HB2 LYS+ 20 - HN VAL 94 5.000% * 19.0670% (0.83 1.41 5.49) = 19.067% kept HG3 LYS+ 20 - HN VAL 94 5.000% * 10.1907% (0.31 2.04 5.49) = 10.191% kept HG13 ILE 19 - HN VAL 94 5.000% * 8.8888% (0.56 0.97 0.16) = 8.889% kept HD3 LYS+ 20 - HN VAL 94 5.000% * 7.4951% (0.31 1.50 5.49) = 7.495% kept HG LEU 74 - HN VAL 94 5.000% * 3.6241% (0.50 0.44 0.26) = 3.624% kept QB ALA 91 - HN VAL 94 5.000% * 2.4823% (0.79 0.19 0.02) = 2.482% kept HB3 LYS+ 20 - HN VAL 105 5.000% * 2.0674% (0.25 0.51 0.02) = 2.067% kept HG LEU 74 - HN VAL 105 5.000% * 1.9937% (0.13 0.97 0.62) = 1.994% kept HB2 LYS+ 20 - HN VAL 105 5.000% * 1.7803% (0.21 0.53 0.02) = 1.780% kept HG2 LYS+ 78 - HN VAL 94 5.000% * 1.2454% (0.98 0.08 0.02) = 1.245% kept HD3 LYS+ 20 - HN VAL 105 5.000% * 0.9958% (0.08 0.80 0.02) = 0.996% HG3 LYS+ 20 - HN VAL 105 5.000% * 0.6943% (0.08 0.56 0.02) = 0.694% HG13 ILE 19 - HN VAL 105 5.000% * 0.5776% (0.14 0.25 0.02) = 0.578% QG2 THR 39 - HN VAL 94 5.000% * 0.2909% (0.89 0.02 0.02) = 0.291% HG3 ARG+ 22 - HN VAL 94 5.000% * 0.1967% (0.60 0.02 0.02) = 0.197% HG2 LYS+ 78 - HN VAL 105 5.000% * 0.0803% (0.24 0.02 0.02) = 0.080% QG2 THR 39 - HN VAL 105 5.000% * 0.0726% (0.22 0.02 0.02) = 0.073% QB ALA 91 - HN VAL 105 5.000% * 0.0648% (0.20 0.02 0.02) = 0.065% HG3 ARG+ 22 - HN VAL 105 5.000% * 0.0491% (0.15 0.02 0.02) = 0.049% Peak 518 (1.86, 8.22, 121.46 ppm): 20 chemical-shift based assignments, quality = 0.446, support = 2.43, residual support = 5.5: O HB2 PRO 104 - HN VAL 105 5.000% * 54.5574% (0.21 10.0 2.64 5.82) = 54.557% kept HB3 LYS+ 72 - HN VAL 94 5.000% * 30.9805% (0.83 1.0 2.94 7.12) = 30.981% kept HB2 PRO 104 - HN VAL 94 5.000% * 6.5674% (0.86 1.0 0.60 1.22) = 6.567% kept HB3 PRO 59 - HN VAL 94 5.000% * 3.0434% (0.31 1.0 0.78 0.85) = 3.043% kept HB2 PRO 59 - HN VAL 94 5.000% * 1.4959% (0.17 1.0 0.68 0.85) = 1.496% kept HG3 PRO 112 - HN VAL 94 5.000% * 1.2412% (0.31 1.0 0.32 0.02) = 1.241% kept HB3 GLN 16 - HN VAL 94 5.000% * 1.0887% (0.17 1.0 0.49 0.02) = 1.089% kept HB2 LYS+ 66 - HN VAL 94 5.000% * 0.5019% (0.44 1.0 0.09 0.02) = 0.502% HB3 ARG+ 84 - HN VAL 94 5.000% * 0.1226% (0.48 1.0 0.02 0.02) = 0.123% HG3 LYS+ 120 - HN VAL 94 5.000% * 0.1129% (0.44 1.0 0.02 0.02) = 0.113% HB2 GLU- 10 - HN VAL 94 5.000% * 0.0700% (0.27 1.0 0.02 0.02) = 0.070% HB3 LYS+ 72 - HN VAL 105 5.000% * 0.0525% (0.21 1.0 0.02 0.02) = 0.053% HB3 ARG+ 84 - HN VAL 105 5.000% * 0.0306% (0.12 1.0 0.02 0.02) = 0.031% HG3 LYS+ 120 - HN VAL 105 5.000% * 0.0282% (0.11 1.0 0.02 0.02) = 0.028% HB2 LYS+ 66 - HN VAL 105 5.000% * 0.0282% (0.11 1.0 0.02 0.02) = 0.028% HG3 PRO 112 - HN VAL 105 5.000% * 0.0194% (0.08 1.0 0.02 0.02) = 0.019% HB3 PRO 59 - HN VAL 105 5.000% * 0.0194% (0.08 1.0 0.02 0.02) = 0.019% HB2 GLU- 10 - HN VAL 105 5.000% * 0.0175% (0.07 1.0 0.02 0.02) = 0.017% HB3 GLN 16 - HN VAL 105 5.000% * 0.0110% (0.04 1.0 0.02 0.02) = 0.011% HB2 PRO 59 - HN VAL 105 5.000% * 0.0110% (0.04 1.0 0.02 0.02) = 0.011% Peak 519 (0.83, 8.22, 121.46 ppm): 28 chemical-shift based assignments, quality = 0.72, support = 1.98, residual support = 6.46: QG1 VAL 94 - HN VAL 94 3.571% * 51.7541% (0.86 3.13 12.16) = 51.754% kept HG2 LYS+ 113 - HN VAL 94 3.571% * 13.2407% (0.91 0.75 0.22) = 13.241% kept HG3 LYS+ 113 - HN VAL 94 3.571% * 10.9006% (0.76 0.75 0.22) = 10.901% kept QG1 VAL 94 - HN VAL 105 3.571% * 5.6345% (0.21 1.36 0.82) = 5.634% kept QB ALA 93 - HN VAL 94 3.571% * 3.9496% (0.15 1.34 1.07) = 3.950% kept QD2 LEU 90 - HN VAL 94 3.571% * 3.8718% (0.52 0.39 0.02) = 3.872% kept QD2 LEU 17 - HN VAL 94 3.571% * 3.3587% (0.64 0.27 0.02) = 3.359% kept HG LEU 74 - HN VAL 94 3.571% * 3.1433% (0.37 0.44 0.26) = 3.143% kept HG LEU 74 - HN VAL 105 3.571% * 1.7292% (0.09 0.97 0.62) = 1.729% kept QG1 VAL 13 - HN VAL 94 3.571% * 0.3807% (0.99 0.02 0.02) = 0.381% QD1 ILE 29 - HN VAL 94 3.571% * 0.3782% (0.98 0.02 0.02) = 0.378% QG2 VAL 13 - HN VAL 94 3.571% * 0.2771% (0.72 0.02 0.02) = 0.277% HG2 LYS+ 117 - HN VAL 94 3.571% * 0.2468% (0.64 0.02 0.02) = 0.247% HG3 LYS+ 117 - HN VAL 94 3.571% * 0.1857% (0.48 0.02 0.02) = 0.186% HB ILE 101 - HN VAL 94 3.571% * 0.1302% (0.34 0.02 0.02) = 0.130% QD2 LEU 67 - HN VAL 94 3.571% * 0.1061% (0.27 0.02 0.02) = 0.106% QG1 VAL 13 - HN VAL 105 3.571% * 0.0950% (0.25 0.02 0.02) = 0.095% QD1 ILE 29 - HN VAL 105 3.571% * 0.0944% (0.24 0.02 0.02) = 0.094% HG2 LYS+ 113 - HN VAL 105 3.571% * 0.0879% (0.23 0.02 0.02) = 0.088% HG3 LYS+ 113 - HN VAL 105 3.571% * 0.0728% (0.19 0.02 0.02) = 0.073% QG2 VAL 13 - HN VAL 105 3.571% * 0.0692% (0.18 0.02 0.02) = 0.069% HG2 LYS+ 117 - HN VAL 105 3.571% * 0.0616% (0.16 0.02 0.02) = 0.062% QD2 LEU 17 - HN VAL 105 3.571% * 0.0616% (0.16 0.02 0.02) = 0.062% QD2 LEU 90 - HN VAL 105 3.571% * 0.0501% (0.13 0.02 0.02) = 0.050% HG3 LYS+ 117 - HN VAL 105 3.571% * 0.0464% (0.12 0.02 0.02) = 0.046% HB ILE 101 - HN VAL 105 3.571% * 0.0325% (0.08 0.02 0.02) = 0.032% QD2 LEU 67 - HN VAL 105 3.571% * 0.0265% (0.07 0.02 0.02) = 0.026% QB ALA 93 - HN VAL 105 3.571% * 0.0147% (0.04 0.02 0.02) = 0.015% 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): 24 chemical-shift based assignments, quality = 0.935, support = 2.31, residual support = 10.4: * O HA VAL 94 - HN VAL 94 4.167% * 80.1697% (0.99 10.0 2.37 12.16) = 80.170% kept HA VAL 73 - HN VAL 94 4.167% * 8.9234% (0.95 1.0 2.32 1.98) = 8.923% kept HA ASN 89 - HN VAL 94 4.167% * 6.1455% (0.80 1.0 1.88 6.57) = 6.145% kept HA VAL 73 - HN VAL 105 4.167% * 2.1111% (0.24 1.0 2.20 1.61) = 2.111% kept HA ASN 89 - HN VAL 105 4.167% * 1.7785% (0.20 1.0 2.18 2.35) = 1.778% kept HA PRO 112 - HN VAL 94 4.167% * 0.4803% (0.37 1.0 0.32 0.02) = 0.480% HB THR 61 - HN VAL 94 4.167% * 0.0795% (0.98 1.0 0.02 0.02) = 0.079% HA HIS+ 3 - HN VAL 94 4.167% * 0.0551% (0.68 1.0 0.02 0.02) = 0.055% HA1 GLY 26 - HN VAL 94 4.167% * 0.0454% (0.56 1.0 0.02 0.02) = 0.045% HA MET 1 - HN VAL 94 4.167% * 0.0359% (0.44 1.0 0.02 0.02) = 0.036% HA LYS+ 117 - HN VAL 94 4.167% * 0.0273% (0.34 1.0 0.02 0.02) = 0.027% HA VAL 94 - HN VAL 105 4.167% * 0.0200% (0.25 1.0 0.02 0.82) = 0.020% HA2 GLY 26 - HN VAL 94 4.167% * 0.0200% (0.25 1.0 0.02 0.02) = 0.020% HB THR 61 - HN VAL 105 4.167% * 0.0198% (0.24 1.0 0.02 0.02) = 0.020% HB3 HIS+ 4 - HN VAL 94 4.167% * 0.0140% (0.17 1.0 0.02 0.02) = 0.014% HA ILE 29 - HN VAL 94 4.167% * 0.0140% (0.17 1.0 0.02 0.02) = 0.014% HA HIS+ 3 - HN VAL 105 4.167% * 0.0137% (0.17 1.0 0.02 0.02) = 0.014% HA1 GLY 26 - HN VAL 105 4.167% * 0.0113% (0.14 1.0 0.02 0.02) = 0.011% HA MET 1 - HN VAL 105 4.167% * 0.0090% (0.11 1.0 0.02 0.02) = 0.009% HA PRO 112 - HN VAL 105 4.167% * 0.0075% (0.09 1.0 0.02 0.02) = 0.008% HA LYS+ 117 - HN VAL 105 4.167% * 0.0068% (0.08 1.0 0.02 0.02) = 0.007% HA2 GLY 26 - HN VAL 105 4.167% * 0.0050% (0.06 1.0 0.02 0.02) = 0.005% HB3 HIS+ 4 - HN VAL 105 4.167% * 0.0035% (0.04 1.0 0.02 0.02) = 0.004% HA ILE 29 - HN VAL 105 4.167% * 0.0035% (0.04 1.0 0.02 0.02) = 0.004% Peak 522 (4.55, 8.22, 121.46 ppm): 16 chemical-shift based assignments, quality = 0.475, support = 1.45, residual support = 3.99: HA ASN 89 - HN VAL 94 6.250% * 33.8884% (0.52 1.88 6.57) = 33.888% kept HA LYS+ 72 - HN VAL 94 6.250% * 16.7437% (0.60 0.81 7.12) = 16.744% kept HA VAL 73 - HN VAL 94 6.250% * 14.0370% (0.18 2.32 1.98) = 14.037% kept HA THR 79 - HN VAL 94 6.250% * 10.5608% (0.89 0.34 0.02) = 10.561% kept HA ASN 89 - HN VAL 105 6.250% * 9.8071% (0.13 2.18 2.35) = 9.807% kept HA LEU 17 - HN VAL 94 6.250% * 7.0808% (0.86 0.24 0.02) = 7.081% kept HA VAL 73 - HN VAL 105 6.250% * 3.3208% (0.04 2.20 1.61) = 3.321% kept HA LYS+ 78 - HN VAL 94 6.250% * 2.6565% (0.20 0.39 0.02) = 2.656% kept HA LYS+ 72 - HN VAL 105 6.250% * 0.8532% (0.15 0.16 0.02) = 0.853% HA GLU- 10 - HN VAL 94 6.250% * 0.3867% (0.56 0.02 0.02) = 0.387% HA THR 79 - HN VAL 105 6.250% * 0.1529% (0.22 0.02 0.02) = 0.153% HA LEU 17 - HN VAL 105 6.250% * 0.1479% (0.21 0.02 0.02) = 0.148% HA LYS+ 78 - HN VAL 105 6.250% * 0.1359% (0.05 0.08 0.02) = 0.136% HA LEU 9 - HN VAL 94 6.250% * 0.1054% (0.15 0.02 0.02) = 0.105% HA GLU- 10 - HN VAL 105 6.250% * 0.0965% (0.14 0.02 0.02) = 0.097% HA LEU 9 - HN VAL 105 6.250% * 0.0263% (0.04 0.02 0.02) = 0.026% Peak 523 (2.88, 8.22, 121.46 ppm): 4 chemical-shift based assignments, quality = 0.287, support = 0.444, residual support = 0.205: HA1 GLY 58 - HN VAL 105 25.000% * 76.6363% (0.18 0.57 0.26) = 76.636% kept HA1 GLY 58 - HN VAL 94 25.000% * 10.7069% (0.72 0.02 0.02) = 10.707% kept HB2 HIS+ 98 - HN VAL 94 25.000% * 10.1283% (0.68 0.02 0.02) = 10.128% kept HB2 HIS+ 98 - HN VAL 105 25.000% * 2.5285% (0.17 0.02 0.02) = 2.529% kept Peak 524 (1.76, 8.22, 121.46 ppm): 16 chemical-shift based assignments, quality = 0.978, support = 2.35, residual support = 12.0: * O HB VAL 94 - HN VAL 94 6.250% * 98.9708% (0.99 10.0 2.37 12.16) = 98.971% kept HB3 GLU- 18 - HN VAL 94 6.250% * 0.4790% (0.52 1.0 0.18 0.02) = 0.479% HG2 PRO 31 - HN VAL 94 6.250% * 0.1391% (0.15 1.0 0.18 0.02) = 0.139% HB2 HIS+ 7 - HN VAL 94 6.250% * 0.0988% (0.99 1.0 0.02 0.02) = 0.099% HB2 ARG+ 84 - HN VAL 94 6.250% * 0.0970% (0.97 1.0 0.02 0.02) = 0.097% HB3 ARG+ 53 - HN VAL 94 6.250% * 0.0521% (0.52 1.0 0.02 0.02) = 0.052% HB3 GLU- 50 - HN VAL 94 6.250% * 0.0305% (0.31 1.0 0.02 0.02) = 0.031% HB VAL 94 - HN VAL 105 6.250% * 0.0247% (0.25 1.0 0.02 0.82) = 0.025% HB2 HIS+ 7 - HN VAL 105 6.250% * 0.0247% (0.25 1.0 0.02 0.02) = 0.025% HB2 ARG+ 84 - HN VAL 105 6.250% * 0.0242% (0.24 1.0 0.02 0.02) = 0.024% HB3 PRO 116 - HN VAL 94 6.250% * 0.0173% (0.17 1.0 0.02 0.12) = 0.017% HB3 ARG+ 53 - HN VAL 105 6.250% * 0.0130% (0.13 1.0 0.02 0.02) = 0.013% HB3 GLU- 18 - HN VAL 105 6.250% * 0.0130% (0.13 1.0 0.02 0.02) = 0.013% HB3 GLU- 50 - HN VAL 105 6.250% * 0.0076% (0.08 1.0 0.02 0.02) = 0.008% HB3 PRO 116 - HN VAL 105 6.250% * 0.0043% (0.04 1.0 0.02 0.02) = 0.004% HG2 PRO 31 - HN VAL 105 6.250% * 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): 9 chemical-shift based assignments, quality = 0.535, support = 0.082, residual support = 0.02: HB3 GLU- 109 - HN LYS+ 32 11.111% * 48.9304% (0.45 0.15 0.02) = 48.930% kept HG3 PRO 104 - HN LYS+ 32 11.111% * 13.7329% (0.92 0.02 0.02) = 13.733% kept HB2 LYS+ 108 - HN LYS+ 32 11.111% * 13.3418% (0.89 0.02 0.02) = 13.342% kept HB VAL 122 - HN LYS+ 32 11.111% * 6.1160% (0.41 0.02 0.02) = 6.116% kept HB VAL 13 - HN LYS+ 32 11.111% * 5.0745% (0.34 0.02 0.02) = 5.075% kept HG3 PRO 116 - HN LYS+ 32 11.111% * 4.5916% (0.31 0.02 0.02) = 4.592% kept HG2 PRO 86 - HN LYS+ 32 11.111% * 3.3121% (0.22 0.02 0.02) = 3.312% kept HB2 HIS+ 14 - HN LYS+ 32 11.111% * 2.6054% (0.17 0.02 0.02) = 2.605% kept HB VAL 105 - HN LYS+ 32 11.111% * 2.2954% (0.15 0.02 0.02) = 2.295% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 528 (1.58, 8.82, 121.40 ppm): 11 chemical-shift based assignments, quality = 0.735, support = 2.59, residual support = 36.7: O HB3 LYS+ 32 - HN LYS+ 32 9.091% * 93.4298% (0.76 10.0 2.65 37.58) = 93.430% kept HD3 LYS+ 32 - HN LYS+ 32 9.091% * 4.3547% (0.28 1.0 2.56 37.58) = 4.355% kept HG LEU 17 - HN LYS+ 32 9.091% * 1.4188% (0.86 1.0 0.27 0.10) = 1.419% kept HD3 LYS+ 60 - HN LYS+ 32 9.091% * 0.4001% (0.80 1.0 0.08 0.02) = 0.400% HG3 LYS+ 60 - HN LYS+ 32 9.091% * 0.1129% (0.92 1.0 0.02 0.02) = 0.113% HB ILE 19 - HN LYS+ 32 9.091% * 0.1096% (0.89 1.0 0.02 0.02) = 0.110% HB3 LEU 9 - HN LYS+ 32 9.091% * 0.0459% (0.37 1.0 0.02 0.02) = 0.046% HB3 LEU 90 - HN LYS+ 32 9.091% * 0.0459% (0.37 1.0 0.02 0.02) = 0.046% HG13 ILE 29 - HN LYS+ 32 9.091% * 0.0340% (0.28 1.0 0.02 0.02) = 0.034% HB3 LEU 17 - HN LYS+ 32 9.091% * 0.0242% (0.20 1.0 0.02 0.10) = 0.024% QG2 THR 24 - HN LYS+ 32 9.091% * 0.0242% (0.20 1.0 0.02 0.02) = 0.024% Peak 529 (4.46, 8.82, 121.40 ppm): 12 chemical-shift based assignments, quality = 0.947, support = 3.42, residual support = 36.5: * O HA LYS+ 32 - HN LYS+ 32 8.333% * 97.1651% (0.96 10.0 3.50 37.58) = 97.165% kept HA ASN 89 - HN LYS+ 32 8.333% * 2.1492% (0.65 1.0 0.65 0.95) = 2.149% kept HA ILE 100 - HN LYS+ 32 8.333% * 0.1007% (1.00 1.0 0.02 0.02) = 0.101% HA ILE 101 - HN LYS+ 32 8.333% * 0.1005% (0.99 1.0 0.02 0.02) = 0.100% HA PRO 86 - HN LYS+ 32 8.333% * 0.0998% (0.99 1.0 0.02 0.02) = 0.100% HA ALA 103 - HN LYS+ 32 8.333% * 0.0952% (0.94 1.0 0.02 0.02) = 0.095% HA GLU- 50 - HN LYS+ 32 8.333% * 0.0929% (0.92 1.0 0.02 0.02) = 0.093% HA VAL 99 - HN LYS+ 32 8.333% * 0.0806% (0.80 1.0 0.02 0.36) = 0.081% HA VAL 73 - HN LYS+ 32 8.333% * 0.0644% (0.64 1.0 0.02 0.02) = 0.064% HA ASN 76 - HN LYS+ 32 8.333% * 0.0224% (0.22 1.0 0.02 0.02) = 0.022% HB THR 24 - HN LYS+ 32 8.333% * 0.0155% (0.15 1.0 0.02 0.02) = 0.016% HA LYS+ 111 - HN LYS+ 32 8.333% * 0.0136% (0.13 1.0 0.02 0.02) = 0.014% Peak 530 (4.73, 8.82, 121.40 ppm): 7 chemical-shift based assignments, quality = 0.695, support = 3.17, residual support = 7.13: * O HA PRO 31 - HN LYS+ 32 14.286% * 92.1427% (0.72 10.0 3.27 7.55) = 92.143% kept HA2 GLY 30 - HN LYS+ 32 14.286% * 6.2626% (0.41 1.0 2.40 2.49) = 6.263% kept HA ASN 89 - HN LYS+ 32 14.286% * 1.2649% (0.30 1.0 0.65 0.95) = 1.265% kept HA HIS+ 7 - HN LYS+ 32 14.286% * 0.1244% (0.98 1.0 0.02 0.02) = 0.124% HA MET 118 - HN LYS+ 32 14.286% * 0.0718% (0.56 1.0 0.02 0.02) = 0.072% HA HIS+ 5 - HN LYS+ 32 14.286% * 0.0718% (0.56 1.0 0.02 0.02) = 0.072% HA VAL 40 - HN LYS+ 32 14.286% * 0.0618% (0.48 1.0 0.02 0.02) = 0.062% Peak 531 (8.99, 8.82, 121.40 ppm): 2 chemical-shift based assignments, quality = 0.313, support = 0.219, residual support = 0.109: HN LEU 17 - HN LYS+ 32 50.000% * 60.2838% (0.37 0.21 0.10) = 60.284% kept HN MET 97 - HN LYS+ 32 50.000% * 39.7162% (0.22 0.23 0.12) = 39.716% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 532 (7.31, 8.82, 121.40 ppm): 7 chemical-shift based assignments, quality = 0.657, support = 1.77, residual support = 17.3: QD PHE 34 - HN LYS+ 32 14.286% * 52.4360% (0.86 2.07 18.96) = 52.436% kept HZ PHE 34 - HN LYS+ 32 14.286% * 24.2158% (0.41 2.02 18.96) = 24.216% kept QE PHE 34 - HN LYS+ 32 14.286% * 14.4341% (0.41 1.20 18.96) = 14.434% kept HZ2 TRP 51 - HN LYS+ 32 14.286% * 4.8220% (0.41 0.40 0.26) = 4.822% kept HN VAL 47 - HN LYS+ 32 14.286% * 2.0851% (0.92 0.08 0.02) = 2.085% kept HN ILE 48 - HN LYS+ 32 14.286% * 1.4547% (0.52 0.09 1.22) = 1.455% kept HN ARG+ 84 - HN LYS+ 32 14.286% * 0.5524% (0.94 0.02 0.02) = 0.552% Peak 535 (0.94, 8.31, 121.53 ppm): 10 chemical-shift based assignments, quality = 0.581, support = 1.73, residual support = 3.28: * QG2 VAL 99 - HN VAL 99 10.000% * 51.4249% (0.44 2.98 6.27) = 51.425% kept HG12 ILE 68 - HN VAL 99 10.000% * 17.7932% (0.81 0.56 0.30) = 17.793% kept HG LEU 74 - HN VAL 99 10.000% * 11.7367% (0.61 0.49 0.02) = 11.737% kept QD1 LEU 17 - HN VAL 99 10.000% * 10.5465% (0.85 0.31 0.02) = 10.546% kept QG1 VAL 105 - HN VAL 99 10.000% * 5.6234% (0.87 0.16 0.02) = 5.623% kept HG12 ILE 29 - HN VAL 99 10.000% * 0.6840% (0.87 0.02 0.02) = 0.684% QG2 VAL 62 - HN VAL 99 10.000% * 0.6704% (0.85 0.02 0.02) = 0.670% QG2 ILE 29 - HN VAL 99 10.000% * 0.6356% (0.81 0.02 0.02) = 0.636% HG3 LYS+ 63 - HN VAL 99 10.000% * 0.5675% (0.72 0.02 0.02) = 0.568% QG2 VAL 73 - HN VAL 99 10.000% * 0.3177% (0.41 0.02 0.02) = 0.318% Peak 536 (2.18, 8.31, 121.53 ppm): 11 chemical-shift based assignments, quality = 0.77, support = 0.564, residual support = 0.58: HG3 GLN 16 - HN VAL 99 9.091% * 32.3085% (0.78 0.86 0.98) = 32.308% kept HG2 GLN 16 - HN VAL 99 9.091% * 24.0816% (0.89 0.57 0.98) = 24.082% kept HG2 GLN 102 - HN VAL 99 9.091% * 16.4133% (0.90 0.38 0.13) = 16.413% kept HB3 PRO 104 - HN VAL 99 9.091% * 10.9925% (0.87 0.26 0.02) = 10.993% kept HG2 PRO 104 - HN VAL 99 9.091% * 7.1786% (0.58 0.26 0.02) = 7.179% kept HA1 GLY 58 - HN VAL 99 9.091% * 6.9982% (0.26 0.55 0.02) = 6.998% kept HB2 ASP- 82 - HN VAL 99 9.091% * 0.8630% (0.90 0.02 0.02) = 0.863% HG2 MET 126 - HN VAL 99 9.091% * 0.4210% (0.44 0.02 0.02) = 0.421% HB3 GLU- 75 - HN VAL 99 9.091% * 0.3052% (0.32 0.02 0.02) = 0.305% HB2 LYS+ 113 - HN VAL 99 9.091% * 0.2670% (0.28 0.02 0.02) = 0.267% HG3 GLU- 54 - HN VAL 99 9.091% * 0.1712% (0.18 0.02 0.02) = 0.171% Peak 537 (4.90, 8.31, 121.53 ppm): 7 chemical-shift based assignments, quality = 0.267, support = 2.59, residual support = 10.9: * O HA HIS+ 98 - HN VAL 99 14.286% * 91.7454% (0.25 10.0 2.79 11.83) = 91.745% kept HA GLN 102 - HN VAL 99 14.286% * 3.9229% (0.37 1.0 0.58 0.13) = 3.923% kept HA SER 69 - HN VAL 99 14.286% * 3.0275% (0.58 1.0 0.28 0.02) = 3.027% kept HA ALA 33 - HN VAL 99 14.286% * 1.0704% (0.37 1.0 0.16 0.02) = 1.070% kept HA ILE 19 - HN VAL 99 14.286% * 0.1357% (0.37 1.0 0.02 0.02) = 0.136% HA ASN 89 - HN VAL 99 14.286% * 0.0536% (0.15 1.0 0.02 0.02) = 0.054% HA THR 95 - HN VAL 99 14.286% * 0.0447% (0.12 1.0 0.02 0.02) = 0.045% Peak 538 (3.15, 8.31, 121.53 ppm): 10 chemical-shift based assignments, quality = 0.679, support = 2.46, residual support = 8.39: * HB3 HIS+ 98 - HN VAL 99 10.000% * 70.7903% (0.69 3.26 11.83) = 70.790% kept HD3 PRO 35 - HN VAL 99 10.000% * 14.1845% (0.90 0.50 0.02) = 14.184% kept HB3 PHE 34 - HN VAL 99 10.000% * 10.0308% (0.55 0.58 0.12) = 10.031% kept HA1 GLY 58 - HN VAL 99 10.000% * 3.6488% (0.21 0.55 0.02) = 3.649% kept HD2 ARG+ 53 - HN VAL 99 10.000% * 0.5486% (0.87 0.02 0.02) = 0.549% HD3 ARG+ 84 - HN VAL 99 10.000% * 0.1755% (0.28 0.02 0.02) = 0.175% HE3 LYS+ 117 - HN VAL 99 10.000% * 0.1755% (0.28 0.02 0.02) = 0.175% HE3 LYS+ 108 - HN VAL 99 10.000% * 0.1755% (0.28 0.02 0.02) = 0.175% HE3 LYS+ 72 - HN VAL 99 10.000% * 0.1581% (0.25 0.02 0.02) = 0.158% HE3 LYS+ 81 - HN VAL 99 10.000% * 0.1125% (0.18 0.02 0.02) = 0.113% Peak 539 (2.89, 8.31, 121.53 ppm): 2 chemical-shift based assignments, quality = 0.714, support = 2.89, residual support = 10.3: * HB2 HIS+ 98 - HN VAL 99 50.000% * 86.6998% (0.72 3.25 11.83) = 86.700% kept HA1 GLY 58 - HN VAL 99 50.000% * 13.3002% (0.65 0.55 0.02) = 13.300% kept Peak 540 (1.68, 8.31, 121.53 ppm): 5 chemical-shift based assignments, quality = 0.902, support = 2.71, residual support = 6.26: * O HB VAL 99 - HN VAL 99 20.000% * 99.7912% (0.90 10.0 2.72 6.27) = 99.791% kept HD3 LYS+ 55 - HN VAL 99 20.000% * 0.0998% (0.90 1.0 0.02 0.02) = 0.100% HB3 MET 126 - HN VAL 99 20.000% * 0.0646% (0.58 1.0 0.02 0.02) = 0.065% HB2 HIS+ 8 - HN VAL 99 20.000% * 0.0222% (0.20 1.0 0.02 0.02) = 0.022% HG3 ARG+ 84 - HN VAL 99 20.000% * 0.0222% (0.20 1.0 0.02 0.02) = 0.022% Peak 541 (0.58, 8.31, 121.53 ppm): 2 chemical-shift based assignments, quality = 0.507, support = 0.441, residual support = 0.743: QD1 ILE 101 - HN VAL 99 50.000% * 64.3464% (0.41 0.58 0.90) = 64.346% kept QD1 LEU 23 - HN VAL 99 50.000% * 35.6536% (0.69 0.19 0.46) = 35.654% kept Peak 542 (4.98, 8.31, 121.53 ppm): 2 chemical-shift based assignments, quality = 0.41, support = 0.322, residual support = 0.263: HA ILE 68 - HN VAL 99 50.000% * 79.4564% (0.48 0.34 0.30) = 79.456% kept HA PHE 34 - HN VAL 99 50.000% * 20.5436% (0.16 0.26 0.12) = 20.544% kept Not enough total support, support cutoff is 0.44 Peak unassigned. 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): 2 diagonal assignments: * HN LYS+ 110 - HN LYS+ 110 (0.86) kept HN HIS+ 5 - HN HIS+ 5 (0.59) kept Peak 546 (1.61, 8.09, 121.23 ppm): 20 chemical-shift based assignments, quality = 0.841, support = 3.26, residual support = 8.58: * HG3 LYS+ 110 - HN LYS+ 110 5.000% * 50.6952% (0.87 3.66 9.07) = 50.695% kept HG2 LYS+ 110 - HN LYS+ 110 5.000% * 43.8559% (0.87 3.17 9.07) = 43.856% kept HB3 LEU 17 - HN HIS+ 5 5.000% * 2.8591% (0.62 0.29 0.02) = 2.859% kept HB3 LEU 17 - HN LYS+ 110 5.000% * 0.2673% (0.84 0.02 0.02) = 0.267% HD3 LYS+ 32 - HN LYS+ 110 5.000% * 0.2484% (0.78 0.02 0.02) = 0.248% HG3 LYS+ 78 - HN LYS+ 110 5.000% * 0.2218% (0.70 0.02 0.02) = 0.222% HG3 LYS+ 110 - HN HIS+ 5 5.000% * 0.2041% (0.64 0.02 0.02) = 0.204% HG2 LYS+ 110 - HN HIS+ 5 5.000% * 0.2036% (0.64 0.02 0.02) = 0.204% HD3 LYS+ 32 - HN HIS+ 5 5.000% * 0.1830% (0.58 0.02 0.02) = 0.183% HG3 LYS+ 78 - HN HIS+ 5 5.000% * 0.1634% (0.51 0.02 0.02) = 0.163% HG12 ILE 101 - HN LYS+ 110 5.000% * 0.1348% (0.42 0.02 0.02) = 0.135% HB ILE 100 - HN LYS+ 110 5.000% * 0.1348% (0.42 0.02 0.02) = 0.135% HB2 LEU 67 - HN LYS+ 110 5.000% * 0.1348% (0.42 0.02 0.02) = 0.135% HB3 LYS+ 32 - HN LYS+ 110 5.000% * 0.1139% (0.36 0.02 0.02) = 0.114% HG LEU 23 - HN LYS+ 110 5.000% * 0.1139% (0.36 0.02 0.02) = 0.114% HB2 LEU 67 - HN HIS+ 5 5.000% * 0.0993% (0.31 0.02 0.02) = 0.099% HB ILE 100 - HN HIS+ 5 5.000% * 0.0993% (0.31 0.02 0.02) = 0.099% HG12 ILE 101 - HN HIS+ 5 5.000% * 0.0993% (0.31 0.02 0.02) = 0.099% HG LEU 23 - HN HIS+ 5 5.000% * 0.0839% (0.26 0.02 0.02) = 0.084% HB3 LYS+ 32 - HN HIS+ 5 5.000% * 0.0839% (0.26 0.02 0.02) = 0.084% Peak 547 (8.07, 8.08, 121.15 ppm): 2 diagonal assignments: * HN HIS+ 5 - HN HIS+ 5 (0.83) kept HN LYS+ 110 - HN LYS+ 110 (0.68) kept Peak 548 (2.21, 8.08, 121.15 ppm): 28 chemical-shift based assignments, quality = 0.765, support = 1.99, residual support = 4.98: * HG3 GLU- 109 - HN LYS+ 110 3.571% * 64.9877% (0.93 2.76 7.64) = 64.988% kept HG3 MET 118 - HN LYS+ 110 3.571% * 12.0520% (0.64 0.75 0.14) = 12.052% kept HA1 GLY 58 - HN HIS+ 5 3.571% * 8.1586% (0.30 1.06 0.02) = 8.159% kept HG3 GLU- 18 - HN HIS+ 5 3.571% * 5.2984% (0.71 0.30 0.02) = 5.298% kept HB2 GLU- 50 - HN LYS+ 110 3.571% * 2.2800% (0.86 0.11 0.02) = 2.280% kept HG3 GLU- 75 - HN LYS+ 110 3.571% * 0.7271% (0.30 0.09 0.02) = 0.727% HG3 MET 126 - HN LYS+ 110 3.571% * 0.4888% (0.97 0.02 0.02) = 0.489% HG3 GLU- 54 - HN LYS+ 110 3.571% * 0.4603% (0.91 0.02 0.02) = 0.460% HG3 MET 126 - HN HIS+ 5 3.571% * 0.4375% (0.87 0.02 0.02) = 0.438% HG3 GLU- 109 - HN HIS+ 5 3.571% * 0.4222% (0.83 0.02 0.02) = 0.422% HG3 GLU- 107 - HN LYS+ 110 3.571% * 0.4165% (0.82 0.02 0.02) = 0.417% HG3 GLU- 54 - HN HIS+ 5 3.571% * 0.4120% (0.81 0.02 0.02) = 0.412% HB2 LYS+ 113 - HN LYS+ 110 3.571% * 0.3993% (0.79 0.02 0.02) = 0.399% HG3 GLU- 18 - HN LYS+ 110 3.571% * 0.3993% (0.79 0.02 0.02) = 0.399% HB2 GLU- 50 - HN HIS+ 5 3.571% * 0.3872% (0.77 0.02 0.02) = 0.387% HG3 GLU- 107 - HN HIS+ 5 3.571% * 0.3728% (0.74 0.02 0.02) = 0.373% HB2 LYS+ 113 - HN HIS+ 5 3.571% * 0.3574% (0.71 0.02 0.02) = 0.357% HG2 MET 126 - HN LYS+ 110 3.571% * 0.3025% (0.60 0.02 0.02) = 0.302% HG3 MET 118 - HN HIS+ 5 3.571% * 0.2887% (0.57 0.02 0.02) = 0.289% HG2 MET 126 - HN HIS+ 5 3.571% * 0.2707% (0.54 0.02 0.02) = 0.271% HB3 PRO 52 - HN LYS+ 110 3.571% * 0.2624% (0.52 0.02 0.02) = 0.262% HB3 PRO 52 - HN HIS+ 5 3.571% * 0.2348% (0.46 0.02 0.02) = 0.235% HA1 GLY 58 - HN LYS+ 110 3.571% * 0.1721% (0.34 0.02 0.02) = 0.172% HG3 GLU- 75 - HN HIS+ 5 3.571% * 0.1378% (0.27 0.02 0.02) = 0.138% HB3 PRO 104 - HN LYS+ 110 3.571% * 0.0769% (0.15 0.02 0.02) = 0.077% HB3 PRO 104 - HN HIS+ 5 3.571% * 0.0689% (0.14 0.02 0.02) = 0.069% HG2 GLN 16 - HN LYS+ 110 3.571% * 0.0675% (0.13 0.02 0.02) = 0.067% HG2 GLN 16 - HN HIS+ 5 3.571% * 0.0604% (0.12 0.02 0.02) = 0.060% Peak 549 (4.22, 8.08, 121.15 ppm): 36 chemical-shift based assignments, quality = 0.855, support = 2.14, residual support = 8.33: * O HA LYS+ 110 - HN LYS+ 110 2.778% * 54.9730% (0.99 10.0 1.82 9.07) = 54.973% kept O HA GLU- 109 - HN LYS+ 110 2.778% * 43.7789% (0.72 10.0 2.61 7.64) = 43.779% kept HB3 SER 49 - HN LYS+ 110 2.778% * 0.0602% (0.98 1.0 0.02 0.02) = 0.060% HA ALA 42 - HN LYS+ 110 2.778% * 0.0602% (0.98 1.0 0.02 0.02) = 0.060% HA GLU- 12 - HN LYS+ 110 2.778% * 0.0598% (0.98 1.0 0.02 0.02) = 0.060% HA ASN 89 - HN LYS+ 110 2.778% * 0.0562% (0.92 1.0 0.02 0.02) = 0.056% HA ALA 11 - HN LYS+ 110 2.778% * 0.0541% (0.88 1.0 0.02 0.02) = 0.054% HA LYS+ 110 - HN HIS+ 5 2.778% * 0.0540% (0.88 1.0 0.02 0.02) = 0.054% HB3 SER 49 - HN HIS+ 5 2.778% * 0.0538% (0.88 1.0 0.02 0.02) = 0.054% HA ALA 42 - HN HIS+ 5 2.778% * 0.0538% (0.88 1.0 0.02 0.02) = 0.054% HA GLU- 12 - HN HIS+ 5 2.778% * 0.0535% (0.87 1.0 0.02 0.02) = 0.053% HA ASN 89 - HN HIS+ 5 2.778% * 0.0503% (0.82 1.0 0.02 0.02) = 0.050% HA ALA 11 - HN HIS+ 5 2.778% * 0.0484% (0.79 1.0 0.02 0.02) = 0.048% HB3 HIS+ 14 - HN LYS+ 110 2.778% * 0.0483% (0.79 1.0 0.02 0.02) = 0.048% HA GLU- 18 - HN LYS+ 110 2.778% * 0.0483% (0.79 1.0 0.02 0.02) = 0.048% HA SER 49 - HN LYS+ 110 2.778% * 0.0461% (0.75 1.0 0.02 0.02) = 0.046% HB3 HIS+ 14 - HN HIS+ 5 2.778% * 0.0432% (0.71 1.0 0.02 0.02) = 0.043% HA GLU- 18 - HN HIS+ 5 2.778% * 0.0432% (0.71 1.0 0.02 0.02) = 0.043% HA GLU- 54 - HN LYS+ 110 2.778% * 0.0414% (0.68 1.0 0.02 0.02) = 0.041% HA SER 49 - HN HIS+ 5 2.778% * 0.0412% (0.67 1.0 0.02 0.02) = 0.041% HA GLU- 109 - HN HIS+ 5 2.778% * 0.0392% (0.64 1.0 0.02 0.02) = 0.039% HA GLU- 54 - HN HIS+ 5 2.778% * 0.0371% (0.61 1.0 0.02 0.02) = 0.037% HA HIS+ 8 - HN LYS+ 110 2.778% * 0.0341% (0.56 1.0 0.02 0.02) = 0.034% HA HIS+ 8 - HN HIS+ 5 2.778% * 0.0306% (0.50 1.0 0.02 0.02) = 0.031% HA ASP- 82 - HN LYS+ 110 2.778% * 0.0270% (0.44 1.0 0.02 0.02) = 0.027% HA ASP- 82 - HN HIS+ 5 2.778% * 0.0242% (0.40 1.0 0.02 0.02) = 0.024% HA VAL 73 - HN LYS+ 110 2.778% * 0.0207% (0.34 1.0 0.02 0.02) = 0.021% HA VAL 73 - HN HIS+ 5 2.778% * 0.0185% (0.30 1.0 0.02 0.02) = 0.019% HA PRO 59 - HN LYS+ 110 2.778% * 0.0150% (0.25 1.0 0.02 0.02) = 0.015% HA PRO 59 - HN HIS+ 5 2.778% * 0.0135% (0.22 1.0 0.02 0.02) = 0.013% HA GLU- 64 - HN LYS+ 110 2.778% * 0.0134% (0.22 1.0 0.02 0.02) = 0.013% HA LYS+ 108 - HN LYS+ 110 2.778% * 0.0134% (0.22 1.0 0.02 0.02) = 0.013% HA GLU- 64 - HN HIS+ 5 2.778% * 0.0120% (0.20 1.0 0.02 0.02) = 0.012% HA LYS+ 108 - HN HIS+ 5 2.778% * 0.0120% (0.20 1.0 0.02 0.02) = 0.012% HA LYS+ 44 - HN LYS+ 110 2.778% * 0.0113% (0.19 1.0 0.02 0.02) = 0.011% HA LYS+ 44 - HN HIS+ 5 2.778% * 0.0101% (0.17 1.0 0.02 0.02) = 0.010% Peak 550 (1.61, 8.08, 121.15 ppm): 20 chemical-shift based assignments, quality = 0.951, support = 3.23, residual support = 8.5: HG3 LYS+ 110 - HN LYS+ 110 5.000% * 50.1548% (0.98 3.66 9.07) = 50.155% kept * HG2 LYS+ 110 - HN LYS+ 110 5.000% * 43.5817% (0.99 3.17 9.07) = 43.582% kept HB3 LEU 17 - HN HIS+ 5 5.000% * 3.3760% (0.83 0.29 0.02) = 3.376% kept HB3 LEU 17 - HN LYS+ 110 5.000% * 0.2598% (0.93 0.02 0.02) = 0.260% HG2 LYS+ 110 - HN HIS+ 5 5.000% * 0.2458% (0.88 0.02 0.02) = 0.246% HG3 LYS+ 110 - HN HIS+ 5 5.000% * 0.2453% (0.88 0.02 0.02) = 0.245% HD3 LYS+ 32 - HN LYS+ 110 5.000% * 0.2383% (0.86 0.02 0.02) = 0.238% HG3 LYS+ 78 - HN LYS+ 110 5.000% * 0.2294% (0.82 0.02 0.02) = 0.229% HD3 LYS+ 32 - HN HIS+ 5 5.000% * 0.2132% (0.77 0.02 0.02) = 0.213% HG3 LYS+ 78 - HN HIS+ 5 5.000% * 0.2053% (0.74 0.02 0.02) = 0.205% HG12 ILE 101 - HN LYS+ 110 5.000% * 0.1445% (0.52 0.02 0.02) = 0.145% HB ILE 100 - HN LYS+ 110 5.000% * 0.1445% (0.52 0.02 0.02) = 0.145% HB2 LEU 67 - HN LYS+ 110 5.000% * 0.1445% (0.52 0.02 0.02) = 0.145% HB2 LEU 67 - HN HIS+ 5 5.000% * 0.1293% (0.46 0.02 0.02) = 0.129% HG12 ILE 101 - HN HIS+ 5 5.000% * 0.1293% (0.46 0.02 0.02) = 0.129% HB ILE 100 - HN HIS+ 5 5.000% * 0.1293% (0.46 0.02 0.02) = 0.129% HG LEU 23 - HN LYS+ 110 5.000% * 0.1231% (0.44 0.02 0.02) = 0.123% HG LEU 23 - HN HIS+ 5 5.000% * 0.1102% (0.40 0.02 0.02) = 0.110% HB3 LYS+ 32 - HN LYS+ 110 5.000% * 0.1031% (0.37 0.02 0.02) = 0.103% HB3 LYS+ 32 - HN HIS+ 5 5.000% * 0.0923% (0.33 0.02 0.02) = 0.092% Peak 551 (4.75, 8.08, 121.15 ppm): 18 chemical-shift based assignments, quality = 0.864, support = 1.39, residual support = 2.28: * O HA HIS+ 5 - HN HIS+ 5 5.556% * 98.7637% (0.87 10.0 1.41 2.31) = 98.764% kept HA VAL 40 - HN LYS+ 110 5.556% * 0.1583% (0.99 1.0 0.02 0.02) = 0.158% HA MET 118 - HN LYS+ 110 5.556% * 0.1569% (0.98 1.0 0.02 0.14) = 0.157% HA HIS+ 5 - HN LYS+ 110 5.556% * 0.1569% (0.98 1.0 0.02 0.02) = 0.157% HA VAL 40 - HN HIS+ 5 5.556% * 0.1417% (0.88 1.0 0.02 0.02) = 0.142% HA MET 118 - HN HIS+ 5 5.556% * 0.1404% (0.87 1.0 0.02 0.02) = 0.140% HA HIS+ 7 - HN LYS+ 110 5.556% * 0.0960% (0.60 1.0 0.02 0.02) = 0.096% HA HIS+ 7 - HN HIS+ 5 5.556% * 0.0859% (0.54 1.0 0.02 0.02) = 0.086% HA ASN 89 - HN LYS+ 110 5.556% * 0.0453% (0.28 1.0 0.02 0.02) = 0.045% HA ASN 89 - HN HIS+ 5 5.556% * 0.0406% (0.25 1.0 0.02 0.02) = 0.041% HA ASP- 115 - HN LYS+ 110 5.556% * 0.0395% (0.25 1.0 0.02 0.02) = 0.039% HA ASP- 115 - HN HIS+ 5 5.556% * 0.0353% (0.22 1.0 0.02 0.02) = 0.035% HA ASN 15 - HN LYS+ 110 5.556% * 0.0277% (0.17 1.0 0.02 0.02) = 0.028% HA ASN 15 - HN HIS+ 5 5.556% * 0.0248% (0.15 1.0 0.02 0.02) = 0.025% HA PRO 116 - HN LYS+ 110 5.556% * 0.0244% (0.15 1.0 0.02 0.02) = 0.024% HA PRO 116 - HN HIS+ 5 5.556% * 0.0219% (0.14 1.0 0.02 0.02) = 0.022% HA PRO 31 - HN LYS+ 110 5.556% * 0.0214% (0.13 1.0 0.02 0.02) = 0.021% HA PRO 31 - HN HIS+ 5 5.556% * 0.0192% (0.12 1.0 0.02 0.02) = 0.019% Peak 552 (4.45, 8.33, 121.27 ppm): 11 chemical-shift based assignments, quality = 0.474, support = 2.76, residual support = 6.29: * O HA VAL 99 - HN VAL 99 9.091% * 91.5682% (0.49 10.0 2.86 6.27) = 91.568% kept HA ILE 100 - HN VAL 99 9.091% * 7.1301% (0.39 1.0 1.94 7.71) = 7.130% kept HA ALA 103 - HN VAL 99 9.091% * 0.8074% (0.30 1.0 0.29 0.02) = 0.807% HA GLU- 50 - HN VAL 99 9.091% * 0.0884% (0.47 1.0 0.02 0.02) = 0.088% HA ILE 101 - HN VAL 99 9.091% * 0.0765% (0.41 1.0 0.02 0.90) = 0.076% HA PRO 86 - HN VAL 99 9.091% * 0.0665% (0.35 1.0 0.02 0.02) = 0.066% HA VAL 73 - HN VAL 99 9.091% * 0.0640% (0.34 1.0 0.02 0.02) = 0.064% HA ASN 89 - HN VAL 99 9.091% * 0.0611% (0.33 1.0 0.02 0.02) = 0.061% HA LYS+ 32 - HN VAL 99 9.091% * 0.0592% (0.32 1.0 0.02 0.36) = 0.059% HB THR 24 - HN VAL 99 9.091% * 0.0411% (0.22 1.0 0.02 0.02) = 0.041% HA LYS+ 111 - HN VAL 99 9.091% * 0.0376% (0.20 1.0 0.02 0.02) = 0.038% Peak 553 (8.31, 8.33, 121.27 ppm): 1 diagonal assignment: * HN VAL 99 - HN VAL 99 (0.46) kept Peak 554 (2.02, 8.22, 121.12 ppm): 34 chemical-shift based assignments, quality = 0.775, support = 2.59, residual support = 11.9: * O HB VAL 105 - HN VAL 105 2.941% * 96.7980% (0.80 10.0 2.68 12.27) = 96.798% kept HB3 LYS+ 110 - HN VAL 105 2.941% * 0.9226% (0.49 1.0 0.31 0.02) = 0.923% HB2 HIS+ 14 - HN VAL 105 2.941% * 0.7960% (0.76 1.0 0.17 0.02) = 0.796% HB3 PRO 112 - HN VAL 105 2.941% * 0.1206% (1.00 1.0 0.02 0.02) = 0.121% HB2 PRO 112 - HN VAL 105 2.941% * 0.1206% (1.00 1.0 0.02 0.02) = 0.121% HG2 PRO 116 - HN VAL 105 2.941% * 0.1198% (0.99 1.0 0.02 0.02) = 0.120% HB3 PRO 31 - HN VAL 105 2.941% * 0.1167% (0.97 1.0 0.02 0.02) = 0.117% HB2 LYS+ 44 - HN VAL 105 2.941% * 0.1167% (0.97 1.0 0.02 0.02) = 0.117% HG2 GLU- 64 - HN VAL 105 2.941% * 0.1116% (0.92 1.0 0.02 0.02) = 0.112% HB2 GLU- 18 - HN VAL 105 2.941% * 0.1049% (0.87 1.0 0.02 0.02) = 0.105% HB3 GLU- 45 - HN VAL 105 2.941% * 0.0968% (0.80 1.0 0.02 0.02) = 0.097% HG2 PRO 86 - HN VAL 105 2.941% * 0.0830% (0.69 1.0 0.02 0.02) = 0.083% HB3 GLU- 107 - HN VAL 105 2.941% * 0.0782% (0.65 1.0 0.02 0.02) = 0.078% HB3 GLU- 75 - HN VAL 105 2.941% * 0.0493% (0.41 1.0 0.02 0.02) = 0.049% HG3 PRO 86 - HN VAL 105 2.941% * 0.0336% (0.28 1.0 0.02 0.02) = 0.034% HB VAL 62 - HN VAL 105 2.941% * 0.0336% (0.28 1.0 0.02 0.02) = 0.034% HB2 PRO 112 - HN VAL 94 2.941% * 0.0232% (0.19 1.0 0.02 0.02) = 0.023% HB3 PRO 112 - HN VAL 94 2.941% * 0.0232% (0.19 1.0 0.02 0.02) = 0.023% HG2 PRO 116 - HN VAL 94 2.941% * 0.0230% (0.19 1.0 0.02 0.12) = 0.023% HB2 LYS+ 44 - HN VAL 94 2.941% * 0.0224% (0.19 1.0 0.02 0.02) = 0.022% HB3 PRO 31 - HN VAL 94 2.941% * 0.0224% (0.19 1.0 0.02 0.02) = 0.022% HG2 GLU- 64 - HN VAL 94 2.941% * 0.0215% (0.18 1.0 0.02 0.02) = 0.021% HB2 GLU- 18 - HN VAL 94 2.941% * 0.0202% (0.17 1.0 0.02 0.02) = 0.020% HB3 GLU- 10 - HN VAL 105 2.941% * 0.0187% (0.15 1.0 0.02 0.02) = 0.019% HB VAL 105 - HN VAL 94 2.941% * 0.0186% (0.15 1.0 0.02 0.82) = 0.019% HB3 GLU- 45 - HN VAL 94 2.941% * 0.0186% (0.15 1.0 0.02 0.16) = 0.019% HB2 HIS+ 14 - HN VAL 94 2.941% * 0.0178% (0.15 1.0 0.02 0.02) = 0.018% HG2 PRO 86 - HN VAL 94 2.941% * 0.0160% (0.13 1.0 0.02 0.02) = 0.016% HB3 GLU- 107 - HN VAL 94 2.941% * 0.0150% (0.12 1.0 0.02 0.02) = 0.015% HB3 LYS+ 110 - HN VAL 94 2.941% * 0.0113% (0.09 1.0 0.02 0.02) = 0.011% HB3 GLU- 75 - HN VAL 94 2.941% * 0.0095% (0.08 1.0 0.02 0.02) = 0.009% HB VAL 62 - HN VAL 94 2.941% * 0.0065% (0.05 1.0 0.02 0.02) = 0.006% HG3 PRO 86 - HN VAL 94 2.941% * 0.0065% (0.05 1.0 0.02 0.02) = 0.006% HB3 GLU- 10 - HN VAL 94 2.941% * 0.0036% (0.03 1.0 0.02 0.02) = 0.004% Peak 555 (4.38, 8.22, 121.12 ppm): 26 chemical-shift based assignments, quality = 0.756, support = 1.89, residual support = 1.79: HA VAL 73 - HN VAL 105 3.846% * 38.6744% (0.99 2.20 1.61) = 38.674% kept HA ASN 89 - HN VAL 105 3.846% * 29.4927% (0.76 2.18 2.35) = 29.493% kept HA SER 88 - HN VAL 105 3.846% * 12.3398% (0.80 0.87 0.02) = 12.340% kept HA VAL 73 - HN VAL 94 3.846% * 7.8508% (0.19 2.32 1.98) = 7.851% kept HA ASN 89 - HN VAL 94 3.846% * 4.8943% (0.15 1.88 6.57) = 4.894% kept HA ASN 57 - HN VAL 105 3.846% * 2.6908% (0.95 0.16 0.02) = 2.691% kept HA SER 88 - HN VAL 94 3.846% * 1.7312% (0.15 0.63 0.02) = 1.731% kept HA TRP 51 - HN VAL 105 3.846% * 0.3549% (1.00 0.02 0.02) = 0.355% HA ALA 37 - HN VAL 105 3.846% * 0.3283% (0.92 0.02 0.02) = 0.328% HA LYS+ 60 - HN VAL 105 3.846% * 0.3085% (0.87 0.02 0.02) = 0.309% HA THR 38 - HN VAL 105 3.846% * 0.2718% (0.76 0.02 0.02) = 0.272% HB3 HIS+ 4 - HN VAL 105 3.846% * 0.2014% (0.57 0.02 0.02) = 0.201% HA2 GLY 26 - HN VAL 105 3.846% * 0.1594% (0.45 0.02 0.02) = 0.159% HA LYS+ 117 - HN VAL 105 3.846% * 0.1213% (0.34 0.02 0.02) = 0.121% HA MET 1 - HN VAL 105 3.846% * 0.0887% (0.25 0.02 0.02) = 0.089% HA TRP 51 - HN VAL 94 3.846% * 0.0683% (0.19 0.02 0.02) = 0.068% HA ASN 57 - HN VAL 94 3.846% * 0.0647% (0.18 0.02 0.02) = 0.065% HA ALA 37 - HN VAL 94 3.846% * 0.0632% (0.18 0.02 0.02) = 0.063% HA1 GLY 26 - HN VAL 105 3.846% * 0.0623% (0.18 0.02 0.02) = 0.062% HA LYS+ 60 - HN VAL 94 3.846% * 0.0593% (0.17 0.02 0.16) = 0.059% HA THR 38 - HN VAL 94 3.846% * 0.0523% (0.15 0.02 0.02) = 0.052% HB3 HIS+ 4 - HN VAL 94 3.846% * 0.0387% (0.11 0.02 0.02) = 0.039% HA2 GLY 26 - HN VAL 94 3.846% * 0.0307% (0.09 0.02 0.02) = 0.031% HA LYS+ 117 - HN VAL 94 3.846% * 0.0233% (0.07 0.02 0.02) = 0.023% HA MET 1 - HN VAL 94 3.846% * 0.0171% (0.05 0.02 0.02) = 0.017% HA1 GLY 26 - HN VAL 94 3.846% * 0.0120% (0.03 0.02 0.02) = 0.012% Peak 556 (0.89, 8.22, 121.12 ppm): 30 chemical-shift based assignments, quality = 0.762, support = 2.15, residual support = 9.03: * QG2 VAL 105 - HN VAL 105 3.333% * 72.0524% (0.92 2.69 12.27) = 72.052% kept HG LEU 74 - HN VAL 105 3.333% * 15.2287% (0.54 0.97 0.62) = 15.229% kept QG2 VAL 73 - HN VAL 105 3.333% * 5.7882% (0.22 0.90 1.61) = 5.788% kept HG LEU 74 - HN VAL 94 3.333% * 1.3295% (0.10 0.44 0.26) = 1.329% kept QG1 VAL 80 - HN VAL 105 3.333% * 0.5596% (0.97 0.02 0.02) = 0.560% QG1 VAL 47 - HN VAL 105 3.333% * 0.5200% (0.90 0.02 0.02) = 0.520% QG1 VAL 122 - HN VAL 105 3.333% * 0.5029% (0.87 0.02 0.02) = 0.503% QD1 LEU 67 - HN VAL 105 3.333% * 0.4843% (0.84 0.02 0.02) = 0.484% QG2 VAL 87 - HN VAL 105 3.333% * 0.4643% (0.80 0.02 0.02) = 0.464% HG13 ILE 68 - HN VAL 105 3.333% * 0.4431% (0.76 0.02 0.02) = 0.443% QG2 VAL 47 - HN VAL 105 3.333% * 0.4210% (0.73 0.02 0.02) = 0.421% QG2 VAL 125 - HN VAL 105 3.333% * 0.3983% (0.69 0.02 0.02) = 0.398% QG1 VAL 40 - HN VAL 105 3.333% * 0.3751% (0.65 0.02 0.02) = 0.375% QG2 VAL 122 - HN VAL 105 3.333% * 0.2176% (0.38 0.02 0.02) = 0.218% QG2 VAL 99 - HN VAL 105 3.333% * 0.1147% (0.20 0.02 0.02) = 0.115% QG1 VAL 80 - HN VAL 94 3.333% * 0.1076% (0.19 0.02 0.02) = 0.108% QG2 VAL 105 - HN VAL 94 3.333% * 0.1030% (0.18 0.02 0.82) = 0.103% QG1 VAL 47 - HN VAL 94 3.333% * 0.1000% (0.17 0.02 0.02) = 0.100% QG1 VAL 122 - HN VAL 94 3.333% * 0.0967% (0.17 0.02 0.02) = 0.097% QD1 LEU 67 - HN VAL 94 3.333% * 0.0932% (0.16 0.02 0.02) = 0.093% QG2 ILE 100 - HN VAL 105 3.333% * 0.0895% (0.15 0.02 0.02) = 0.089% QG2 VAL 87 - HN VAL 94 3.333% * 0.0893% (0.15 0.02 0.02) = 0.089% HG13 ILE 68 - HN VAL 94 3.333% * 0.0852% (0.15 0.02 0.02) = 0.085% QG2 VAL 47 - HN VAL 94 3.333% * 0.0810% (0.14 0.02 0.02) = 0.081% QG2 VAL 125 - HN VAL 94 3.333% * 0.0766% (0.13 0.02 0.02) = 0.077% QG1 VAL 40 - HN VAL 94 3.333% * 0.0722% (0.12 0.02 0.02) = 0.072% QG2 VAL 122 - HN VAL 94 3.333% * 0.0419% (0.07 0.02 0.02) = 0.042% QG2 VAL 73 - HN VAL 94 3.333% * 0.0248% (0.04 0.02 1.98) = 0.025% QG2 VAL 99 - HN VAL 94 3.333% * 0.0221% (0.04 0.02 0.02) = 0.022% QG2 ILE 100 - HN VAL 94 3.333% * 0.0172% (0.03 0.02 0.02) = 0.017% 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 Reference assignment not found: HN THR 106 - HN VAL 105 Peak 558 (2.16, 8.22, 121.12 ppm): 24 chemical-shift based assignments, quality = 0.593, support = 2.63, residual support = 5.7: O HB3 PRO 104 - HN VAL 105 4.167% * 75.9153% (0.49 10.0 2.64 5.82) = 75.915% kept * HG2 PRO 104 - HN VAL 105 4.167% * 21.9713% (1.00 1.0 2.82 5.82) = 21.971% kept HA1 GLY 58 - HN VAL 105 4.167% * 1.2101% (0.27 1.0 0.57 0.26) = 1.210% kept HG3 GLN 16 - HN VAL 105 4.167% * 0.1440% (0.92 1.0 0.02 0.02) = 0.144% HG2 GLN 102 - HN VAL 105 4.167% * 0.1133% (0.73 1.0 0.02 0.02) = 0.113% HB2 ASP- 82 - HN VAL 105 4.167% * 0.1071% (0.69 1.0 0.02 0.02) = 0.107% HB3 LYS+ 78 - HN VAL 105 4.167% * 0.0883% (0.57 1.0 0.02 0.02) = 0.088% HG2 GLN 16 - HN VAL 105 4.167% * 0.0821% (0.53 1.0 0.02 0.02) = 0.082% HB3 GLU- 75 - HN VAL 105 4.167% * 0.0759% (0.49 1.0 0.02 0.02) = 0.076% HG3 GLN 102 - HN VAL 105 4.167% * 0.0481% (0.31 1.0 0.02 0.02) = 0.048% HG2 PRO 104 - HN VAL 94 4.167% * 0.0300% (0.19 1.0 0.02 1.22) = 0.030% HG3 GLN 16 - HN VAL 94 4.167% * 0.0277% (0.18 1.0 0.02 0.02) = 0.028% HB2 ASP- 28 - HN VAL 105 4.167% * 0.0273% (0.18 1.0 0.02 0.02) = 0.027% HB VAL 47 - HN VAL 105 4.167% * 0.0273% (0.18 1.0 0.02 0.02) = 0.027% HG2 GLN 102 - HN VAL 94 4.167% * 0.0218% (0.14 1.0 0.02 0.02) = 0.022% HB2 ASP- 82 - HN VAL 94 4.167% * 0.0206% (0.13 1.0 0.02 0.02) = 0.021% HB3 LYS+ 78 - HN VAL 94 4.167% * 0.0170% (0.11 1.0 0.02 0.02) = 0.017% HG2 GLN 16 - HN VAL 94 4.167% * 0.0158% (0.10 1.0 0.02 0.02) = 0.016% HB3 GLU- 75 - HN VAL 94 4.167% * 0.0146% (0.09 1.0 0.02 0.02) = 0.015% HB3 PRO 104 - HN VAL 94 4.167% * 0.0146% (0.09 1.0 0.02 1.22) = 0.015% HG3 GLN 102 - HN VAL 94 4.167% * 0.0093% (0.06 1.0 0.02 0.02) = 0.009% HA1 GLY 58 - HN VAL 94 4.167% * 0.0081% (0.05 1.0 0.02 0.02) = 0.008% HB2 ASP- 28 - HN VAL 94 4.167% * 0.0053% (0.03 1.0 0.02 0.02) = 0.005% HB VAL 47 - HN VAL 94 4.167% * 0.0053% (0.03 1.0 0.02 0.02) = 0.005% Peak 559 (1.37, 8.22, 121.12 ppm): 22 chemical-shift based assignments, quality = 0.462, support = 1.0, residual support = 1.64: HB3 LYS+ 20 - HN VAL 105 4.545% * 16.0410% (0.99 0.51 0.02) = 16.041% kept HG LEU 74 - HN VAL 105 4.545% * 15.6584% (0.51 0.97 0.62) = 15.658% kept HB3 LYS+ 20 - HN VAL 94 4.545% * 14.2128% (0.19 2.36 5.49) = 14.213% kept HB2 LYS+ 20 - HN VAL 105 4.545% * 13.3307% (0.80 0.53 0.02) = 13.331% kept HD3 LYS+ 20 - HN VAL 105 4.545% * 7.0068% (0.28 0.80 0.02) = 7.007% kept HB2 LYS+ 20 - HN VAL 94 4.545% * 6.8565% (0.15 1.41 5.49) = 6.857% kept HG3 LYS+ 20 - HN VAL 105 4.545% * 5.9932% (0.34 0.56 0.02) = 5.993% kept HG13 ILE 19 - HN VAL 105 4.545% * 4.8336% (0.61 0.25 0.02) = 4.834% kept HG3 LYS+ 20 - HN VAL 94 4.545% * 4.2247% (0.07 2.04 5.49) = 4.225% kept HG13 ILE 19 - HN VAL 94 4.545% * 3.5721% (0.12 0.97 0.16) = 3.572% kept HD3 LYS+ 20 - HN VAL 94 4.545% * 2.5327% (0.05 1.50 5.49) = 2.533% kept HG LEU 74 - HN VAL 94 4.545% * 1.3670% (0.10 0.44 0.26) = 1.367% kept QB ALA 91 - HN VAL 94 4.545% * 0.9713% (0.16 0.19 0.02) = 0.971% HG2 LYS+ 78 - HN VAL 105 4.545% * 0.6200% (0.98 0.02 0.02) = 0.620% HB2 LEU 17 - HN VAL 94 4.545% * 0.5492% (0.03 0.59 0.02) = 0.549% QG2 THR 39 - HN VAL 105 4.545% * 0.5487% (0.87 0.02 0.02) = 0.549% QB ALA 91 - HN VAL 105 4.545% * 0.5283% (0.84 0.02 0.02) = 0.528% HG2 LYS+ 78 - HN VAL 94 4.545% * 0.4620% (0.19 0.08 0.02) = 0.462% HG3 ARG+ 22 - HN VAL 105 4.545% * 0.4092% (0.65 0.02 0.02) = 0.409% QG2 THR 39 - HN VAL 94 4.545% * 0.1055% (0.17 0.02 0.02) = 0.106% HB2 LEU 17 - HN VAL 105 4.545% * 0.0976% (0.15 0.02 0.02) = 0.098% HG3 ARG+ 22 - HN VAL 94 4.545% * 0.0787% (0.12 0.02 0.02) = 0.079% Peak 560 (4.10, 8.22, 121.12 ppm): 18 chemical-shift based assignments, quality = 0.973, support = 2.65, residual support = 11.1: * O HA VAL 105 - HN VAL 105 5.556% * 85.3873% (1.00 10.0 2.79 12.27) = 85.387% kept HA ASN 89 - HN VAL 105 5.556% * 9.2620% (0.99 1.0 2.18 2.35) = 9.262% kept HB THR 106 - HN VAL 105 5.556% * 3.4522% (0.69 1.0 1.18 8.23) = 3.452% kept HA ASN 89 - HN VAL 94 5.556% * 1.5370% (0.19 1.0 1.88 6.57) = 1.537% kept HA THR 46 - HN VAL 105 5.556% * 0.0766% (0.90 1.0 0.02 0.02) = 0.077% HA ALA 70 - HN VAL 105 5.556% * 0.0713% (0.84 1.0 0.02 0.02) = 0.071% HA LYS+ 44 - HN VAL 105 5.556% * 0.0556% (0.65 1.0 0.02 0.02) = 0.056% HA ARG+ 53 - HN VAL 105 5.556% * 0.0483% (0.57 1.0 0.02 0.02) = 0.048% HA VAL 105 - HN VAL 94 5.556% * 0.0164% (0.19 1.0 0.02 0.82) = 0.016% HD2 PRO 59 - HN VAL 105 5.556% * 0.0150% (0.18 1.0 0.02 0.02) = 0.015% HA THR 46 - HN VAL 94 5.556% * 0.0147% (0.17 1.0 0.02 0.02) = 0.015% HA ALA 70 - HN VAL 94 5.556% * 0.0137% (0.16 1.0 0.02 0.02) = 0.014% HA LYS+ 63 - HN VAL 105 5.556% * 0.0132% (0.15 1.0 0.02 0.02) = 0.013% HB THR 106 - HN VAL 94 5.556% * 0.0113% (0.13 1.0 0.02 0.02) = 0.011% HA LYS+ 44 - HN VAL 94 5.556% * 0.0107% (0.13 1.0 0.02 0.02) = 0.011% HA ARG+ 53 - HN VAL 94 5.556% * 0.0093% (0.11 1.0 0.02 0.02) = 0.009% HD2 PRO 59 - HN VAL 94 5.556% * 0.0029% (0.03 1.0 0.02 0.85) = 0.003% HA LYS+ 63 - HN VAL 94 5.556% * 0.0025% (0.03 1.0 0.02 0.02) = 0.003% Peak 561 (4.20, 8.06, 121.15 ppm): 32 chemical-shift based assignments, quality = 0.441, support = 2.3, residual support = 8.02: * O HA GLU- 109 - HN LYS+ 110 3.125% * 64.2197% (0.52 10.0 2.61 7.64) = 64.220% kept O HA LYS+ 110 - HN LYS+ 110 3.125% * 34.3522% (0.31 10.0 1.82 9.07) = 34.352% kept HA ASP- 82 - HN HIS+ 5 3.125% * 0.0943% (0.77 1.0 0.02 0.02) = 0.094% HA GLU- 109 - HN HIS+ 5 3.125% * 0.0929% (0.76 1.0 0.02 0.02) = 0.093% HA ASN 89 - HN HIS+ 5 3.125% * 0.0910% (0.74 1.0 0.02 0.02) = 0.091% HB3 HIS+ 14 - HN HIS+ 5 3.125% * 0.0889% (0.72 1.0 0.02 0.02) = 0.089% HA ALA 11 - HN HIS+ 5 3.125% * 0.0804% (0.65 1.0 0.02 0.02) = 0.080% HA GLU- 64 - HN HIS+ 5 3.125% * 0.0771% (0.63 1.0 0.02 0.02) = 0.077% HA ASP- 82 - HN LYS+ 110 3.125% * 0.0652% (0.53 1.0 0.02 0.02) = 0.065% HA ASN 89 - HN LYS+ 110 3.125% * 0.0629% (0.51 1.0 0.02 0.02) = 0.063% HA GLU- 12 - HN HIS+ 5 3.125% * 0.0623% (0.51 1.0 0.02 0.02) = 0.062% HB3 HIS+ 14 - HN LYS+ 110 3.125% * 0.0614% (0.50 1.0 0.02 0.02) = 0.061% HB3 SER 49 - HN HIS+ 5 3.125% * 0.0584% (0.47 1.0 0.02 0.02) = 0.058% HA ALA 11 - HN LYS+ 110 3.125% * 0.0556% (0.45 1.0 0.02 0.02) = 0.056% HA LYS+ 110 - HN HIS+ 5 3.125% * 0.0545% (0.44 1.0 0.02 0.02) = 0.054% HA GLU- 64 - HN LYS+ 110 3.125% * 0.0533% (0.43 1.0 0.02 0.02) = 0.053% HA MET 126 - HN HIS+ 5 3.125% * 0.0506% (0.41 1.0 0.02 0.02) = 0.051% HA ALA 42 - HN HIS+ 5 3.125% * 0.0506% (0.41 1.0 0.02 0.02) = 0.051% HA GLU- 12 - HN LYS+ 110 3.125% * 0.0430% (0.35 1.0 0.02 0.02) = 0.043% HB3 SER 49 - HN LYS+ 110 3.125% * 0.0404% (0.33 1.0 0.02 0.02) = 0.040% HA MET 126 - HN LYS+ 110 3.125% * 0.0350% (0.28 1.0 0.02 0.02) = 0.035% HA ALA 42 - HN LYS+ 110 3.125% * 0.0350% (0.28 1.0 0.02 0.02) = 0.035% HA VAL 73 - HN HIS+ 5 3.125% * 0.0258% (0.21 1.0 0.02 0.02) = 0.026% HA LYS+ 44 - HN HIS+ 5 3.125% * 0.0225% (0.18 1.0 0.02 0.02) = 0.023% HA GLU- 18 - HN HIS+ 5 3.125% * 0.0214% (0.17 1.0 0.02 0.02) = 0.021% HA SER 49 - HN HIS+ 5 3.125% * 0.0190% (0.15 1.0 0.02 0.02) = 0.019% HA VAL 73 - HN LYS+ 110 3.125% * 0.0179% (0.15 1.0 0.02 0.02) = 0.018% HA LYS+ 44 - HN LYS+ 110 3.125% * 0.0156% (0.13 1.0 0.02 0.02) = 0.016% HA GLU- 54 - HN HIS+ 5 3.125% * 0.0149% (0.12 1.0 0.02 0.02) = 0.015% HA GLU- 18 - HN LYS+ 110 3.125% * 0.0148% (0.12 1.0 0.02 0.02) = 0.015% HA SER 49 - HN LYS+ 110 3.125% * 0.0132% (0.11 1.0 0.02 0.02) = 0.013% HA GLU- 54 - HN LYS+ 110 3.125% * 0.0103% (0.08 1.0 0.02 0.02) = 0.010% Peak 562 (1.95, 8.06, 121.15 ppm): 28 chemical-shift based assignments, quality = 0.365, support = 1.93, residual support = 5.06: HB3 GLU- 109 - HN LYS+ 110 3.571% * 66.2517% (0.37 2.83 7.64) = 66.252% kept HB VAL 13 - HN HIS+ 5 3.571% * 11.9215% (0.63 0.30 0.02) = 11.922% kept HB VAL 13 - HN LYS+ 110 3.571% * 6.6688% (0.43 0.24 0.02) = 6.669% kept HB2 GLU- 75 - HN LYS+ 110 3.571% * 3.0468% (0.51 0.09 0.02) = 3.047% kept HB3 LYS+ 55 - HN HIS+ 5 3.571% * 0.9862% (0.78 0.02 0.02) = 0.986% HG3 PRO 31 - HN HIS+ 5 3.571% * 0.9841% (0.78 0.02 0.02) = 0.984% HB2 GLU- 75 - HN HIS+ 5 3.571% * 0.9329% (0.74 0.02 0.02) = 0.933% HG3 PRO 116 - HN HIS+ 5 3.571% * 0.8238% (0.65 0.02 0.02) = 0.824% HG2 PRO 112 - HN HIS+ 5 3.571% * 0.7537% (0.60 0.02 0.02) = 0.754% HB VAL 122 - HN HIS+ 5 3.571% * 0.7162% (0.57 0.02 0.02) = 0.716% HB3 LYS+ 55 - HN LYS+ 110 3.571% * 0.6818% (0.54 0.02 0.02) = 0.682% HG3 PRO 31 - HN LYS+ 110 3.571% * 0.6803% (0.54 0.02 0.02) = 0.680% HB2 PRO 116 - HN HIS+ 5 3.571% * 0.6775% (0.54 0.02 0.02) = 0.677% HB3 GLU- 109 - HN HIS+ 5 3.571% * 0.6775% (0.54 0.02 0.02) = 0.677% HG3 PRO 116 - HN LYS+ 110 3.571% * 0.5695% (0.45 0.02 0.02) = 0.570% HG2 PRO 112 - HN LYS+ 110 3.571% * 0.5211% (0.41 0.02 0.02) = 0.521% HB VAL 122 - HN LYS+ 110 3.571% * 0.4951% (0.39 0.02 0.02) = 0.495% HB2 PRO 116 - HN LYS+ 110 3.571% * 0.4684% (0.37 0.02 0.02) = 0.468% HB ILE 29 - HN HIS+ 5 3.571% * 0.4055% (0.32 0.02 0.02) = 0.405% HB ILE 29 - HN LYS+ 110 3.571% * 0.2803% (0.22 0.02 0.02) = 0.280% HB3 PRO 35 - HN HIS+ 5 3.571% * 0.2742% (0.22 0.02 0.02) = 0.274% HG3 PRO 104 - HN HIS+ 5 3.571% * 0.2196% (0.17 0.02 0.02) = 0.220% HB2 LEU 23 - HN HIS+ 5 3.571% * 0.1952% (0.15 0.02 0.02) = 0.195% HB3 PRO 35 - HN LYS+ 110 3.571% * 0.1896% (0.15 0.02 0.02) = 0.190% HB3 GLU- 56 - HN HIS+ 5 3.571% * 0.1727% (0.14 0.02 0.02) = 0.173% HG3 PRO 104 - HN LYS+ 110 3.571% * 0.1518% (0.12 0.02 0.02) = 0.152% HB2 LEU 23 - HN LYS+ 110 3.571% * 0.1349% (0.11 0.02 0.02) = 0.135% HB3 GLU- 56 - HN LYS+ 110 3.571% * 0.1194% (0.09 0.02 0.02) = 0.119% Peak 563 (8.06, 8.06, 121.15 ppm): 2 diagonal assignments: HN HIS+ 5 - HN HIS+ 5 (0.41) kept HN LYS+ 110 - HN LYS+ 110 (0.13) kept Peak 564 (0.82, 8.06, 121.15 ppm): 28 chemical-shift based assignments, quality = 0.563, support = 0.258, residual support = 0.109: QG1 VAL 94 - HN HIS+ 5 3.571% * 30.0571% (0.78 0.36 0.15) = 30.057% kept QG1 VAL 13 - HN HIS+ 5 3.571% * 21.7003% (0.65 0.30 0.02) = 21.700% kept QG1 VAL 13 - HN LYS+ 110 3.571% * 12.1390% (0.45 0.25 0.02) = 12.139% kept HG LEU 74 - HN LYS+ 110 3.571% * 9.1315% (0.19 0.44 0.58) = 9.132% kept QB ALA 93 - HN HIS+ 5 3.571% * 6.8715% (0.35 0.18 0.02) = 6.872% kept HG3 LYS+ 113 - HN HIS+ 5 3.571% * 1.7031% (0.78 0.02 0.02) = 1.703% kept HG2 LYS+ 113 - HN HIS+ 5 3.571% * 1.6473% (0.76 0.02 0.02) = 1.647% kept QD2 LEU 17 - HN HIS+ 5 3.571% * 1.6473% (0.76 0.02 0.02) = 1.647% kept QD2 LEU 90 - HN HIS+ 5 3.571% * 1.5308% (0.70 0.02 0.02) = 1.531% kept QD1 ILE 29 - HN HIS+ 5 3.571% * 1.2395% (0.57 0.02 0.02) = 1.239% kept HG3 LYS+ 113 - HN LYS+ 110 3.571% * 1.1774% (0.54 0.02 0.02) = 1.177% kept QG1 VAL 94 - HN LYS+ 110 3.571% * 1.1696% (0.54 0.02 0.02) = 1.170% kept QD2 LEU 17 - HN LYS+ 110 3.571% * 1.1388% (0.52 0.02 0.02) = 1.139% kept HG2 LYS+ 113 - HN LYS+ 110 3.571% * 1.1388% (0.52 0.02 0.02) = 1.139% kept QD2 LEU 67 - HN HIS+ 5 3.571% * 1.1042% (0.51 0.02 0.02) = 1.104% kept QD2 LEU 90 - HN LYS+ 110 3.571% * 1.0583% (0.49 0.02 0.02) = 1.058% kept QD1 ILE 29 - HN LYS+ 110 3.571% * 0.8569% (0.39 0.02 0.02) = 0.857% QD2 LEU 67 - HN LYS+ 110 3.571% * 0.7634% (0.35 0.02 0.02) = 0.763% HG LEU 74 - HN HIS+ 5 3.571% * 0.5975% (0.27 0.02 0.02) = 0.597% QG2 VAL 13 - HN HIS+ 5 3.571% * 0.5822% (0.27 0.02 0.02) = 0.582% QB ALA 93 - HN LYS+ 110 3.571% * 0.5291% (0.24 0.02 0.02) = 0.529% HG2 LYS+ 117 - HN HIS+ 5 3.571% * 0.4746% (0.22 0.02 0.02) = 0.475% QG2 VAL 13 - HN LYS+ 110 3.571% * 0.4025% (0.18 0.02 0.02) = 0.403% HG2 LYS+ 117 - HN LYS+ 110 3.571% * 0.3281% (0.15 0.02 0.02) = 0.328% QD1 ILE 100 - HN HIS+ 5 3.571% * 0.2989% (0.14 0.02 0.02) = 0.299% HG3 LYS+ 117 - HN HIS+ 5 3.571% * 0.2989% (0.14 0.02 0.02) = 0.299% QD1 ILE 100 - HN LYS+ 110 3.571% * 0.2067% (0.09 0.02 0.02) = 0.207% HG3 LYS+ 117 - HN LYS+ 110 3.571% * 0.2067% (0.09 0.02 0.02) = 0.207% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 565 (4.00, 8.06, 121.15 ppm): 16 chemical-shift based assignments, quality = 0.767, support = 0.98, residual support = 2.26: * O HB3 HIS+ 5 - HN HIS+ 5 6.250% * 97.9550% (0.78 10.0 1.00 2.31) = 97.955% kept HB THR 39 - HN HIS+ 5 6.250% * 0.1955% (0.78 1.0 0.02 0.02) = 0.195% HA LYS+ 44 - HN HIS+ 5 6.250% * 0.1951% (0.78 1.0 0.02 0.02) = 0.195% HA ASN 89 - HN HIS+ 5 6.250% * 0.1942% (0.78 1.0 0.02 0.02) = 0.194% HB3 SER 77 - HN HIS+ 5 6.250% * 0.1844% (0.74 1.0 0.02 0.02) = 0.184% HB THR 95 - HN HIS+ 5 6.250% * 0.1497% (0.60 1.0 0.02 0.02) = 0.150% HA1 GLY 92 - HN HIS+ 5 6.250% * 0.1497% (0.60 1.0 0.02 0.02) = 0.150% HB3 HIS+ 5 - HN LYS+ 110 6.250% * 0.1354% (0.54 1.0 0.02 0.02) = 0.135% HB THR 39 - HN LYS+ 110 6.250% * 0.1351% (0.54 1.0 0.02 0.02) = 0.135% HA LYS+ 44 - HN LYS+ 110 6.250% * 0.1349% (0.54 1.0 0.02 0.02) = 0.135% HA ASN 89 - HN LYS+ 110 6.250% * 0.1342% (0.54 1.0 0.02 0.02) = 0.134% HB3 SER 77 - HN LYS+ 110 6.250% * 0.1275% (0.51 1.0 0.02 0.02) = 0.127% HA1 GLY 92 - HN LYS+ 110 6.250% * 0.1035% (0.41 1.0 0.02 0.02) = 0.104% HB THR 95 - HN LYS+ 110 6.250% * 0.1035% (0.41 1.0 0.02 0.02) = 0.104% HB THR 38 - HN HIS+ 5 6.250% * 0.0605% (0.24 1.0 0.02 0.02) = 0.060% HB THR 38 - HN LYS+ 110 6.250% * 0.0418% (0.17 1.0 0.02 0.02) = 0.042% 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 567 (7.75, 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): 7 chemical-shift based assignments, quality = 0.113, support = 0.982, residual support = 3.04: O HA HIS+ 5 - HN HIS+ 6 14.286% * 97.7945% (0.11 10.0 1.00 3.11) = 97.794% kept HA HIS+ 7 - HN HIS+ 6 14.286% * 1.6880% (0.08 1.0 0.24 0.02) = 1.688% kept HA MET 118 - HN HIS+ 6 14.286% * 0.1956% (0.11 1.0 0.02 0.02) = 0.196% HA VAL 40 - HN HIS+ 6 14.286% * 0.1921% (0.11 1.0 0.02 0.02) = 0.192% HA ASN 89 - HN HIS+ 6 14.286% * 0.0567% (0.03 1.0 0.02 0.02) = 0.057% HA PRO 31 - HN HIS+ 6 14.286% * 0.0388% (0.02 1.0 0.02 0.02) = 0.039% HA ASP- 115 - HN HIS+ 6 14.286% * 0.0343% (0.02 1.0 0.02 0.02) = 0.034% Not enough quality. Peak unassigned. Peak 569 (0.90, 8.40, 121.12 ppm): 14 chemical-shift based assignments, quality = 0.0876, support = 0.02, residual support = 0.02: QG2 VAL 105 - HN HIS+ 6 7.143% * 10.4191% (0.11 0.02 0.02) = 10.419% kept QG1 VAL 47 - HN HIS+ 6 7.143% * 10.2583% (0.11 0.02 0.02) = 10.258% kept QD1 LEU 67 - HN HIS+ 6 7.143% * 9.8123% (0.11 0.02 0.02) = 9.812% kept QG2 VAL 87 - HN HIS+ 6 7.143% * 9.5329% (0.10 0.02 0.02) = 9.533% kept QG1 VAL 80 - HN HIS+ 6 7.143% * 9.5329% (0.10 0.02 0.02) = 9.533% kept HG13 ILE 68 - HN HIS+ 6 7.143% * 9.2204% (0.10 0.02 0.02) = 9.220% kept QG1 VAL 122 - HN HIS+ 6 7.143% * 8.1234% (0.09 0.02 0.02) = 8.123% kept QG2 VAL 47 - HN HIS+ 6 7.143% * 6.4472% (0.07 0.02 0.02) = 6.447% kept QG2 VAL 125 - HN HIS+ 6 7.143% * 6.0180% (0.06 0.02 0.02) = 6.018% kept HG LEU 74 - HN HIS+ 6 7.143% * 5.8516% (0.06 0.02 0.02) = 5.852% kept QG1 VAL 40 - HN HIS+ 6 7.143% * 5.5924% (0.06 0.02 0.02) = 5.592% kept QG2 VAL 73 - HN HIS+ 6 7.143% * 3.2808% (0.04 0.02 0.02) = 3.281% kept QG2 VAL 99 - HN HIS+ 6 7.143% * 2.9554% (0.03 0.02 0.02) = 2.955% kept QG2 VAL 122 - HN HIS+ 6 7.143% * 2.9554% (0.03 0.02 0.02) = 2.955% kept Not enough support, support cutoff is 0.22 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): 1 chemical-shift based assignment, quality = 0.945, support = 3.63, residual support = 10.6: * T HN TYR 83 - HN ARG+ 84 100.000% *100.0000% (0.94 10.00 3.63 10.59) = 100.000% kept Peak 572 (1.77, 7.32, 121.07 ppm): 12 chemical-shift based assignments, quality = 0.89, support = 3.98, residual support = 27.8: * O HB2 ARG+ 84 - HN ARG+ 84 8.333% * 99.4041% (0.90 10.0 4.01 27.95) = 99.404% kept HB3 ARG+ 53 - HN ARG+ 84 8.333% * 0.0994% (0.90 1.0 0.02 0.02) = 0.099% HB3 GLU- 18 - HN ARG+ 84 8.333% * 0.0994% (0.90 1.0 0.02 0.02) = 0.099% HB2 HIS+ 7 - HN ARG+ 84 8.333% * 0.0926% (0.83 1.0 0.02 0.02) = 0.093% HB VAL 94 - HN ARG+ 84 8.333% * 0.0888% (0.80 1.0 0.02 0.02) = 0.089% HB3 PRO 116 - HN ARG+ 84 8.333% * 0.0540% (0.49 1.0 0.02 0.02) = 0.054% HG2 PRO 31 - HN ARG+ 84 8.333% * 0.0497% (0.45 1.0 0.02 0.02) = 0.050% HB3 LYS+ 63 - HN ARG+ 84 8.333% * 0.0342% (0.31 1.0 0.02 0.02) = 0.034% HB3 HIS+ 7 - HN ARG+ 84 8.333% * 0.0219% (0.20 1.0 0.02 0.02) = 0.022% HB2 LYS+ 117 - HN ARG+ 84 8.333% * 0.0194% (0.17 1.0 0.02 0.02) = 0.019% HB3 LYS+ 113 - HN ARG+ 84 8.333% * 0.0194% (0.17 1.0 0.02 0.02) = 0.019% HB3 LYS+ 108 - HN ARG+ 84 8.333% * 0.0171% (0.15 1.0 0.02 0.02) = 0.017% Peak 573 (4.27, 7.32, 121.07 ppm): 16 chemical-shift based assignments, quality = 0.983, support = 3.3, residual support = 24.9: * O HA ARG+ 84 - HN ARG+ 84 6.250% * 85.8697% (1.00 10.0 3.58 27.95) = 85.870% kept HA ASN 89 - HN ARG+ 84 6.250% * 6.8080% (0.89 1.0 1.78 5.46) = 6.808% kept HA SER 85 - HN ARG+ 84 6.250% * 6.5918% (0.98 1.0 1.57 7.80) = 6.592% kept HA VAL 65 - HN ARG+ 84 6.250% * 0.0857% (1.00 1.0 0.02 0.02) = 0.086% HD3 PRO 59 - HN ARG+ 84 6.250% * 0.0842% (0.98 1.0 0.02 0.02) = 0.084% HA PRO 52 - HN ARG+ 84 6.250% * 0.0842% (0.98 1.0 0.02 0.02) = 0.084% HA ALA 91 - HN ARG+ 84 6.250% * 0.0829% (0.96 1.0 0.02 0.02) = 0.083% HA GLU- 75 - HN ARG+ 84 6.250% * 0.0745% (0.87 1.0 0.02 0.02) = 0.074% HA GLU- 56 - HN ARG+ 84 6.250% * 0.0555% (0.65 1.0 0.02 0.02) = 0.056% HA VAL 73 - HN ARG+ 84 6.250% * 0.0539% (0.63 1.0 0.02 0.02) = 0.054% HA THR 106 - HN ARG+ 84 6.250% * 0.0486% (0.57 1.0 0.02 0.02) = 0.049% HA2 GLY 114 - HN ARG+ 84 6.250% * 0.0452% (0.53 1.0 0.02 0.02) = 0.045% HA HIS+ 4 - HN ARG+ 84 6.250% * 0.0353% (0.41 1.0 0.02 0.02) = 0.035% HA LEU 90 - HN ARG+ 84 6.250% * 0.0353% (0.41 1.0 0.02 0.68) = 0.035% HA LYS+ 108 - HN ARG+ 84 6.250% * 0.0239% (0.28 1.0 0.02 0.02) = 0.024% HA PRO 59 - HN ARG+ 84 6.250% * 0.0214% (0.25 1.0 0.02 0.02) = 0.021% Peak 574 (1.87, 7.32, 121.07 ppm): 10 chemical-shift based assignments, quality = 0.722, support = 3.47, residual support = 27.8: * O HB3 ARG+ 84 - HN ARG+ 84 10.000% * 99.5100% (0.73 10.0 3.49 27.95) = 99.510% kept HG3 LYS+ 120 - HN ARG+ 84 10.000% * 0.0941% (0.69 1.0 0.02 0.02) = 0.094% HB2 PRO 104 - HN ARG+ 84 10.000% * 0.0887% (0.65 1.0 0.02 0.02) = 0.089% HB3 LYS+ 72 - HN ARG+ 84 10.000% * 0.0831% (0.61 1.0 0.02 0.02) = 0.083% HB2 GLU- 10 - HN ARG+ 84 10.000% * 0.0667% (0.49 1.0 0.02 0.02) = 0.067% HB3 GLN 16 - HN ARG+ 84 10.000% * 0.0467% (0.34 1.0 0.02 0.14) = 0.047% HG2 GLU- 18 - HN ARG+ 84 10.000% * 0.0342% (0.25 1.0 0.02 0.02) = 0.034% HB2 LYS+ 66 - HN ARG+ 84 10.000% * 0.0342% (0.25 1.0 0.02 0.02) = 0.034% HG3 PRO 112 - HN ARG+ 84 10.000% * 0.0211% (0.15 1.0 0.02 0.02) = 0.021% HB3 PRO 59 - HN ARG+ 84 10.000% * 0.0211% (0.15 1.0 0.02 0.02) = 0.021% Peak 575 (1.66, 7.32, 121.07 ppm): 8 chemical-shift based assignments, quality = 0.97, support = 3.59, residual support = 25.3: * HG3 ARG+ 84 - HN ARG+ 84 12.500% * 90.4612% (1.00 3.94 27.95) = 90.461% kept HB3 MET 126 - HN ARG+ 84 12.500% * 4.5899% (0.73 0.28 0.02) = 4.590% kept HB3 ARG+ 22 - HN ARG+ 84 12.500% * 3.7918% (0.87 0.19 0.02) = 3.792% kept HB2 HIS+ 8 - HN ARG+ 84 12.500% * 0.4587% (1.00 0.02 0.02) = 0.459% HB3 MET 97 - HN ARG+ 84 12.500% * 0.4234% (0.92 0.02 0.02) = 0.423% HB VAL 99 - HN ARG+ 84 12.500% * 0.1021% (0.22 0.02 0.02) = 0.102% HD3 LYS+ 55 - HN ARG+ 84 12.500% * 0.1021% (0.22 0.02 0.02) = 0.102% HG LEU 23 - HN ARG+ 84 12.500% * 0.0708% (0.15 0.02 0.51) = 0.071% Peak 576 (4.65, 7.32, 121.07 ppm): 5 chemical-shift based assignments, quality = 0.344, support = 2.61, residual support = 10.0: O HA TYR 83 - HN ARG+ 84 20.000% * 89.8400% (0.34 10.0 2.72 10.59) = 89.840% kept HA ASN 89 - HN ARG+ 84 20.000% * 9.4487% (0.40 1.0 1.78 5.46) = 9.449% kept HA LYS+ 20 - HN ARG+ 84 20.000% * 0.2628% (1.00 1.0 0.02 0.02) = 0.263% HA LYS+ 120 - HN ARG+ 84 20.000% * 0.2285% (0.87 1.0 0.02 0.02) = 0.228% HA ASP- 36 - HN ARG+ 84 20.000% * 0.2200% (0.83 1.0 0.02 0.02) = 0.220% Peak 577 (3.68, 7.32, 121.07 ppm): 6 chemical-shift based assignments, quality = 0.776, support = 1.38, residual support = 3.96: HA ASN 89 - HN ARG+ 84 16.667% * 71.0166% (0.69 1.78 5.46) = 71.017% kept HA ILE 48 - HN ARG+ 84 16.667% * 25.3896% (1.00 0.44 0.31) = 25.390% kept HA SER 27 - HN ARG+ 84 16.667% * 1.1386% (0.99 0.02 0.02) = 1.139% kept HA LYS+ 81 - HN ARG+ 84 16.667% * 1.1386% (0.99 0.02 0.02) = 1.139% kept HD2 PRO 52 - HN ARG+ 84 16.667% * 1.0302% (0.90 0.02 0.02) = 1.030% kept HB2 HIS+ 4 - HN ARG+ 84 16.667% * 0.2864% (0.25 0.02 0.02) = 0.286% Peak 578 (8.41, 8.42, 120.82 ppm): 1 diagonal assignment: * HN HIS+ 6 - HN HIS+ 6 (0.74) kept Peak 579 (4.75, 8.42, 120.82 ppm): 7 chemical-shift based assignments, quality = 0.906, support = 0.981, residual support = 3.04: * O HA HIS+ 5 - HN HIS+ 6 14.286% * 97.6962% (0.91 10.0 1.00 3.11) = 97.696% kept HA HIS+ 7 - HN HIS+ 6 14.286% * 1.7866% (0.71 1.0 0.24 0.02) = 1.787% kept HA MET 118 - HN HIS+ 6 14.286% * 0.1954% (0.91 1.0 0.02 0.02) = 0.195% HA VAL 40 - HN HIS+ 6 14.286% * 0.1903% (0.89 1.0 0.02 0.02) = 0.190% HA ASN 89 - HN HIS+ 6 14.286% * 0.0572% (0.27 1.0 0.02 0.02) = 0.057% HA PRO 31 - HN HIS+ 6 14.286% * 0.0439% (0.21 1.0 0.02 0.02) = 0.044% HA ASP- 115 - HN HIS+ 6 14.286% * 0.0304% (0.14 1.0 0.02 0.02) = 0.030% Peak 580 (2.75, 8.45, 120.81 ppm): 7 chemical-shift based assignments, quality = 0.2, support = 0.9, residual support = 1.33: O HB3 HIS+ 6 - HN HIS+ 6 14.286% * 68.0904% (0.09 10.0 1.00 0.62) = 68.090% kept * HB2 HIS+ 5 - HN HIS+ 6 14.286% * 29.1598% (0.49 1.0 0.75 3.11) = 29.160% kept HA1 GLY 58 - HN HIS+ 6 14.286% * 0.7306% (0.46 1.0 0.02 0.02) = 0.731% HE3 LYS+ 20 - HN HIS+ 6 14.286% * 0.6974% (0.44 1.0 0.02 0.02) = 0.697% HB3 PHE 21 - HN HIS+ 6 14.286% * 0.5341% (0.33 1.0 0.02 0.02) = 0.534% HB3 ASN 15 - HN HIS+ 6 14.286% * 0.4091% (0.26 1.0 0.02 0.02) = 0.409% HB3 ASP- 115 - HN HIS+ 6 14.286% * 0.3785% (0.24 1.0 0.02 0.02) = 0.378% Not enough quality. Peak unassigned. Peak 581 (4.75, 8.45, 120.81 ppm): 7 chemical-shift based assignments, quality = 0.48, support = 0.982, residual support = 3.04: O HA HIS+ 5 - HN HIS+ 6 14.286% * 97.7945% (0.49 10.0 1.00 3.11) = 97.794% kept HA HIS+ 7 - HN HIS+ 6 14.286% * 1.6880% (0.35 1.0 0.24 0.02) = 1.688% kept HA MET 118 - HN HIS+ 6 14.286% * 0.1956% (0.49 1.0 0.02 0.02) = 0.196% HA VAL 40 - HN HIS+ 6 14.286% * 0.1921% (0.48 1.0 0.02 0.02) = 0.192% HA ASN 89 - HN HIS+ 6 14.286% * 0.0567% (0.14 1.0 0.02 0.02) = 0.057% HA PRO 31 - HN HIS+ 6 14.286% * 0.0388% (0.10 1.0 0.02 0.02) = 0.039% HA ASP- 115 - HN HIS+ 6 14.286% * 0.0343% (0.09 1.0 0.02 0.02) = 0.034% Peak 582 (8.62, 8.63, 120.72 ppm): 1 diagonal assignment: * HN SER 85 - HN SER 85 (0.92) kept Peak 583 (4.27, 8.63, 120.72 ppm): 17 chemical-shift based assignments, quality = 0.983, support = 2.69, residual support = 7.16: * O HA SER 85 - HN SER 85 5.882% * 49.3428% (1.00 10.0 2.63 6.79) = 49.343% kept O HA ARG+ 84 - HN SER 85 5.882% * 48.3658% (0.98 10.0 2.83 7.80) = 48.366% kept HA ASN 89 - HN SER 85 5.882% * 1.8776% (0.88 1.0 0.86 2.04) = 1.878% kept HA PRO 52 - HN SER 85 5.882% * 0.0493% (1.00 1.0 0.02 0.02) = 0.049% HD3 PRO 59 - HN SER 85 5.882% * 0.0493% (1.00 1.0 0.02 0.02) = 0.049% HA ALA 91 - HN SER 85 5.882% * 0.0492% (1.00 1.0 0.02 0.02) = 0.049% HA VAL 65 - HN SER 85 5.882% * 0.0489% (0.99 1.0 0.02 0.02) = 0.049% HA GLU- 75 - HN SER 85 5.882% * 0.0377% (0.76 1.0 0.02 0.02) = 0.038% HA THR 106 - HN SER 85 5.882% * 0.0339% (0.69 1.0 0.02 0.02) = 0.034% HA VAL 73 - HN SER 85 5.882% * 0.0319% (0.64 1.0 0.02 0.02) = 0.032% HA GLU- 56 - HN SER 85 5.882% * 0.0260% (0.53 1.0 0.02 0.02) = 0.026% HA LEU 90 - HN SER 85 5.882% * 0.0260% (0.53 1.0 0.02 0.02) = 0.026% HA2 GLY 114 - HN SER 85 5.882% * 0.0203% (0.41 1.0 0.02 0.02) = 0.020% HA HIS+ 4 - HN SER 85 5.882% * 0.0152% (0.31 1.0 0.02 0.02) = 0.015% HA LYS+ 108 - HN SER 85 5.882% * 0.0098% (0.20 1.0 0.02 0.02) = 0.010% HA PRO 59 - HN SER 85 5.882% * 0.0086% (0.17 1.0 0.02 0.02) = 0.009% HA PRO 104 - HN SER 85 5.882% * 0.0076% (0.15 1.0 0.02 0.02) = 0.008% Peak 584 (3.85, 8.63, 120.72 ppm): 11 chemical-shift based assignments, quality = 0.545, support = 2.12, residual support = 5.16: O HB2 SER 85 - HN SER 85 9.091% * 65.9025% (0.34 10.0 2.15 6.79) = 65.903% kept * HD3 PRO 86 - HN SER 85 9.091% * 24.7113% (1.00 1.0 2.56 2.16) = 24.711% kept HA ASN 89 - HN SER 85 9.091% * 7.4407% (0.90 1.0 0.86 2.04) = 7.441% kept HA ILE 48 - HN SER 85 9.091% * 1.3689% (0.50 1.0 0.29 0.02) = 1.369% kept HB3 SER 88 - HN SER 85 9.091% * 0.1476% (0.76 1.0 0.02 0.02) = 0.148% HA VAL 87 - HN SER 85 9.091% * 0.1250% (0.65 1.0 0.02 0.02) = 0.125% HA LYS+ 44 - HN SER 85 9.091% * 0.1113% (0.58 1.0 0.02 0.02) = 0.111% HA VAL 13 - HN SER 85 9.091% * 0.0794% (0.41 1.0 0.02 0.02) = 0.079% HA2 GLY 92 - HN SER 85 9.091% * 0.0537% (0.28 1.0 0.02 0.02) = 0.054% HA VAL 125 - HN SER 85 9.091% * 0.0298% (0.15 1.0 0.02 0.02) = 0.030% HD3 PRO 116 - HN SER 85 9.091% * 0.0298% (0.15 1.0 0.02 0.02) = 0.030% Peak 585 (4.84, 8.63, 120.72 ppm): 3 chemical-shift based assignments, quality = 0.272, support = 0.67, residual support = 1.05: HA ASN 89 - HN SER 85 33.333% * 51.0754% (0.21 0.86 2.04) = 51.075% kept HA GLU- 107 - HN SER 85 33.333% * 45.0111% (0.31 0.51 0.02) = 45.011% kept HA MET 97 - HN SER 85 33.333% * 3.9134% (0.69 0.02 0.02) = 3.913% kept Peak 586 (4.04, 8.63, 120.72 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 2.09, residual support = 6.58: O HB3 SER 85 - HN SER 85 16.667% * 95.6854% (1.00 10.0 2.15 6.79) = 95.685% kept HA ASN 89 - HN SER 85 16.667% * 4.1104% (1.00 1.0 0.86 2.04) = 4.110% kept HA LYS+ 44 - HN SER 85 16.667% * 0.0861% (0.90 1.0 0.02 0.02) = 0.086% HB3 SER 77 - HN SER 85 16.667% * 0.0485% (0.51 1.0 0.02 0.02) = 0.049% HB2 SER 49 - HN SER 85 16.667% * 0.0429% (0.45 1.0 0.02 0.02) = 0.043% HB THR 38 - HN SER 85 16.667% * 0.0266% (0.28 1.0 0.02 0.02) = 0.027% Peak 587 (1.75, 8.63, 120.72 ppm): 7 chemical-shift based assignments, quality = 0.865, support = 2.93, residual support = 6.76: * HB2 ARG+ 84 - HN SER 85 14.286% * 85.7311% (0.87 3.34 7.80) = 85.731% kept HB VAL 94 - HN SER 85 14.286% * 12.9519% (0.94 0.46 0.52) = 12.952% kept HB2 HIS+ 7 - HN SER 85 14.286% * 0.5458% (0.92 0.02 0.02) = 0.546% HB3 GLU- 50 - HN SER 85 14.286% * 0.2878% (0.49 0.02 0.02) = 0.288% HB3 GLU- 18 - HN SER 85 14.286% * 0.2017% (0.34 0.02 0.02) = 0.202% HB3 ARG+ 53 - HN SER 85 14.286% * 0.2017% (0.34 0.02 0.02) = 0.202% HB ILE 48 - HN SER 85 14.286% * 0.0800% (0.14 0.02 0.02) = 0.080% Peak 588 (1.89, 8.63, 120.72 ppm): 10 chemical-shift based assignments, quality = 0.815, support = 2.3, residual support = 5.17: * HB3 ARG+ 84 - HN SER 85 10.000% * 64.7646% (0.76 2.98 7.80) = 64.765% kept HB3 GLN 16 - HN SER 85 10.000% * 32.1308% (1.00 1.13 0.37) = 32.131% kept HG2 GLU- 18 - HN SER 85 10.000% * 0.5630% (0.99 0.02 0.02) = 0.563% HB2 GLU- 10 - HN SER 85 10.000% * 0.5374% (0.94 0.02 0.02) = 0.537% HB3 CYS 123 - HN SER 85 10.000% * 0.4928% (0.87 0.02 0.02) = 0.493% HG3 LYS+ 120 - HN SER 85 10.000% * 0.4549% (0.80 0.02 0.02) = 0.455% HB3 MET 118 - HN SER 85 10.000% * 0.3675% (0.65 0.02 0.02) = 0.367% HB3 GLU- 54 - HN SER 85 10.000% * 0.2765% (0.49 0.02 0.02) = 0.277% HB3 GLN 102 - HN SER 85 10.000% * 0.2547% (0.45 0.02 0.02) = 0.255% HD3 LYS+ 63 - HN SER 85 10.000% * 0.1579% (0.28 0.02 0.02) = 0.158% Peak 589 (4.70, 8.63, 120.72 ppm): 7 chemical-shift based assignments, quality = 0.466, support = 0.641, residual support = 0.759: HA ASN 89 - HN SER 85 14.286% * 30.2983% (0.34 0.86 2.04) = 30.298% kept HA2 GLY 30 - HN SER 85 14.286% * 24.4563% (0.69 0.34 0.02) = 24.456% kept HA GLN 16 - HN SER 85 14.286% * 23.9379% (0.65 0.36 0.37) = 23.938% kept HA TYR 83 - HN SER 85 14.286% * 18.2754% (0.15 1.15 0.25) = 18.275% kept HA THR 61 - HN SER 85 14.286% * 1.2523% (0.61 0.02 0.02) = 1.252% kept HA ASN 119 - HN SER 85 14.286% * 1.0050% (0.49 0.02 0.02) = 1.005% kept HA PRO 31 - HN SER 85 14.286% * 0.7749% (0.37 0.02 0.02) = 0.775% Peak 590 (1.58, 7.98, 120.59 ppm): 11 chemical-shift based assignments, quality = 0.557, support = 0.458, residual support = 0.0849: HD3 LYS+ 60 - HN LEU 43 9.091% * 31.2963% (0.56 0.67 0.16) = 31.296% kept HB3 LYS+ 32 - HN LEU 43 9.091% * 19.7742% (0.94 0.25 0.02) = 19.774% kept HG3 LYS+ 60 - HN LEU 43 9.091% * 16.0364% (0.72 0.27 0.16) = 16.036% kept HB3 LEU 90 - HN LEU 43 9.091% * 10.8607% (0.20 0.66 0.02) = 10.861% kept HG3 LYS+ 110 - HN LEU 43 9.091% * 9.4994% (0.25 0.46 0.02) = 9.499% kept HG2 LYS+ 110 - HN LEU 43 9.091% * 8.5690% (0.22 0.46 0.02) = 8.569% kept HB ILE 19 - HN LEU 43 9.091% * 1.1375% (0.68 0.02 0.02) = 1.138% kept HG LEU 17 - HN LEU 43 9.091% * 1.0713% (0.64 0.02 0.02) = 1.071% kept HD3 LYS+ 32 - HN LEU 43 9.091% * 0.8061% (0.48 0.02 0.02) = 0.806% HB3 LEU 17 - HN LEU 43 9.091% * 0.6215% (0.37 0.02 0.02) = 0.622% HB3 LEU 9 - HN LEU 43 9.091% * 0.3277% (0.20 0.02 0.02) = 0.328% Peak 591 (-0.12, 7.98, 120.59 ppm): 1 chemical-shift based assignment, quality = 0.683, support = 4.72, residual support = 49.3: QD1 LEU 43 - HN LEU 43 100.000% *100.0000% (0.68 4.72 49.32) = 100.000% kept Peak 592 (2.09, 7.98, 120.59 ppm): 12 chemical-shift based assignments, quality = 0.81, support = 4.8, residual support = 49.1: * O HB2 LEU 43 - HN LEU 43 8.333% * 62.7363% (0.96 10.0 4.87 49.32) = 62.736% kept O HB3 LEU 43 - HN LEU 43 8.333% * 36.8040% (0.56 10.0 4.75 49.32) = 36.804% kept HB3 GLU- 75 - HN LEU 43 8.333% * 0.0650% (0.99 1.0 0.02 0.02) = 0.065% HB VAL 125 - HN LEU 43 8.333% * 0.0637% (0.98 1.0 0.02 0.02) = 0.064% HB VAL 87 - HN LEU 43 8.333% * 0.0627% (0.96 1.0 0.02 0.02) = 0.063% HB VAL 65 - HN LEU 43 8.333% * 0.0615% (0.94 1.0 0.02 0.02) = 0.061% HB2 LYS+ 110 - HN LEU 43 8.333% * 0.0600% (0.92 1.0 0.02 0.02) = 0.060% HD3 LYS+ 110 - HN LEU 43 8.333% * 0.0564% (0.86 1.0 0.02 0.02) = 0.056% HG3 GLU- 56 - HN LEU 43 8.333% * 0.0342% (0.52 1.0 0.02 0.02) = 0.034% HB3 LYS+ 120 - HN LEU 43 8.333% * 0.0316% (0.48 1.0 0.02 0.02) = 0.032% HG3 ARG+ 53 - HN LEU 43 8.333% * 0.0129% (0.20 1.0 0.02 0.02) = 0.013% HA1 GLY 58 - HN LEU 43 8.333% * 0.0117% (0.18 1.0 0.02 0.18) = 0.012% Peak 593 (1.43, 7.98, 120.59 ppm): 10 chemical-shift based assignments, quality = 0.555, support = 1.59, residual support = 3.82: HD3 LYS+ 44 - HN LEU 43 10.000% * 31.1405% (0.72 1.68 4.65) = 31.141% kept HB3 LYS+ 60 - HN LEU 43 10.000% * 19.1360% (0.98 0.77 0.16) = 19.136% kept * QB ALA 42 - HN LEU 43 10.000% * 16.6847% (0.25 2.62 6.64) = 16.685% kept HG LEU 74 - HN LEU 43 10.000% * 15.4030% (0.35 1.74 5.32) = 15.403% kept QG2 THR 38 - HN LEU 43 10.000% * 12.4163% (0.31 1.58 3.33) = 12.416% kept QB ALA 37 - HN LEU 43 10.000% * 3.3743% (0.31 0.43 0.02) = 3.374% kept HG3 LYS+ 55 - HN LEU 43 10.000% * 0.5000% (0.98 0.02 0.02) = 0.500% HD3 LYS+ 113 - HN LEU 43 10.000% * 0.4923% (0.96 0.02 0.02) = 0.492% HG LEU 90 - HN LEU 43 10.000% * 0.4825% (0.94 0.02 0.02) = 0.483% HG3 LYS+ 108 - HN LEU 43 10.000% * 0.3704% (0.72 0.02 0.02) = 0.370% Peak 594 (3.74, 7.98, 120.59 ppm): 6 chemical-shift based assignments, quality = 0.949, support = 3.85, residual support = 46.8: O HA LEU 43 - HN LEU 43 16.667% * 94.6552% (0.98 10.0 4.00 49.32) = 94.655% kept HA ASN 89 - HN LEU 43 16.667% * 3.0821% (0.76 1.0 0.83 0.21) = 3.082% kept HA LYS+ 44 - HN LEU 43 16.667% * 1.7625% (0.15 1.0 2.42 4.65) = 1.762% kept HA ILE 48 - HN LEU 43 16.667% * 0.4024% (0.94 1.0 0.09 0.02) = 0.402% HD3 PRO 104 - HN LEU 43 16.667% * 0.0738% (0.76 1.0 0.02 0.02) = 0.074% HB3 SER 27 - HN LEU 43 16.667% * 0.0241% (0.25 1.0 0.02 0.02) = 0.024% Peak 595 (3.43, 7.98, 120.59 ppm): 7 chemical-shift based assignments, quality = 0.795, support = 0.502, residual support = 0.145: HA VAL 62 - HN LEU 43 14.286% * 35.5278% (0.89 0.61 0.21) = 35.528% kept HB2 SER 69 - HN LEU 43 14.286% * 22.1181% (0.98 0.34 0.10) = 22.118% kept HA ASN 89 - HN LEU 43 14.286% * 20.0685% (0.37 0.83 0.21) = 20.068% kept HA THR 39 - HN LEU 43 14.286% * 14.2126% (0.86 0.25 0.02) = 14.213% kept HB THR 79 - HN LEU 43 14.286% * 6.4980% (0.99 0.10 0.02) = 6.498% kept HA ILE 48 - HN LEU 43 14.286% * 1.0370% (0.18 0.09 0.02) = 1.037% kept HA VAL 80 - HN LEU 43 14.286% * 0.5380% (0.41 0.02 0.02) = 0.538% Peak 596 (0.47, 7.98, 120.59 ppm): 3 chemical-shift based assignments, quality = 0.894, support = 3.52, residual support = 42.7: QD2 LEU 43 - HN LEU 43 33.333% * 83.4171% (1.00 4.01 49.32) = 83.417% kept QD2 LEU 74 - HN LEU 43 33.333% * 9.5399% (0.37 1.22 5.32) = 9.540% kept QG2 ILE 68 - HN LEU 43 33.333% * 7.0430% (0.41 0.82 15.37) = 7.043% kept Peak 597 (7.74, 7.98, 120.59 ppm): 4 chemical-shift based assignments, quality = 0.756, support = 3.12, residual support = 6.48: * T HN ALA 42 - HN LEU 43 25.000% * 97.7047% (0.76 10.00 3.18 6.64) = 97.705% kept HN ALA 37 - HN LEU 43 25.000% * 2.1402% (0.60 1.00 0.55 0.02) = 2.140% kept HN VAL 125 - HN LEU 43 25.000% * 0.0827% (0.64 1.00 0.02 0.02) = 0.083% HN SER 124 - HN LEU 43 25.000% * 0.0724% (0.56 1.00 0.02 0.02) = 0.072% Peak 598 (8.21, 8.22, 120.46 ppm): 1 diagonal assignment: HN MET 118 - HN MET 118 (0.05) kept Reference assignment not found: HN ASN 119 - HN MET 118 Peak 601 (4.77, 8.31, 120.57 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 56 chemical-shift based assignments, quality = 0.642, support = 1.35, residual support = 3.42: * O HB3 MET 118 - HN MET 118 1.786% * 56.0963% (0.90 10.0 1.00 0.74) = 56.096% kept O HB3 GLN 16 - HN GLN 16 1.786% * 40.5932% (0.34 10.0 1.94 7.40) = 40.593% kept HB2 LEU 23 - HN GLN 16 1.786% * 0.5696% (0.29 1.0 0.31 1.98) = 0.570% HB3 MET 118 - HN GLU- 12 1.786% * 0.1207% (0.97 1.0 0.02 0.02) = 0.121% HB3 GLU- 54 - HN GLU- 12 1.786% * 0.1165% (0.94 1.0 0.02 0.02) = 0.116% HB3 GLN 102 - HN GLU- 12 1.786% * 0.1142% (0.92 1.0 0.02 0.02) = 0.114% HB3 CYS 123 - HN GLU- 12 1.786% * 0.1114% (0.89 1.0 0.02 0.02) = 0.111% HB3 GLU- 54 - HN MET 118 1.786% * 0.1083% (0.87 1.0 0.02 0.02) = 0.108% HB3 GLN 102 - HN MET 118 1.786% * 0.1061% (0.85 1.0 0.02 0.02) = 0.106% HB3 CYS 123 - HN MET 118 1.786% * 0.1036% (0.83 1.0 0.02 0.02) = 0.104% HD3 LYS+ 63 - HN GLU- 12 1.786% * 0.0967% (0.78 1.0 0.02 0.02) = 0.097% HD3 LYS+ 63 - HN MET 118 1.786% * 0.0898% (0.72 1.0 0.02 0.02) = 0.090% HG2 GLU- 18 - HN GLU- 12 1.786% * 0.0877% (0.70 1.0 0.02 0.02) = 0.088% HG2 GLU- 18 - HN MET 118 1.786% * 0.0815% (0.65 1.0 0.02 0.02) = 0.081% HB3 GLN 16 - HN GLU- 12 1.786% * 0.0732% (0.59 1.0 0.02 0.02) = 0.073% HB3 MET 118 - HN GLN 16 1.786% * 0.0691% (0.55 1.0 0.02 0.02) = 0.069% HB3 GLU- 56 - HN GLU- 12 1.786% * 0.0683% (0.55 1.0 0.02 0.02) = 0.068% HB3 GLN 16 - HN MET 118 1.786% * 0.0680% (0.55 1.0 0.02 0.02) = 0.068% HB3 GLU- 54 - HN GLN 16 1.786% * 0.0667% (0.54 1.0 0.02 0.02) = 0.067% HB3 GLN 102 - HN GLN 16 1.786% * 0.0654% (0.52 1.0 0.02 0.02) = 0.065% HB3 CYS 123 - HN GLN 16 1.786% * 0.0638% (0.51 1.0 0.02 0.02) = 0.064% HB3 GLU- 56 - HN MET 118 1.786% * 0.0635% (0.51 1.0 0.02 0.02) = 0.064% HB2 LEU 23 - HN GLU- 12 1.786% * 0.0635% (0.51 1.0 0.02 0.02) = 0.064% HB2 LEU 23 - HN MET 118 1.786% * 0.0590% (0.47 1.0 0.02 0.02) = 0.059% HD3 LYS+ 63 - HN GLN 16 1.786% * 0.0553% (0.44 1.0 0.02 0.02) = 0.055% HB2 GLU- 10 - HN GLU- 12 1.786% * 0.0541% (0.43 1.0 0.02 0.02) = 0.054% HB2 GLU- 10 - HN MET 118 1.786% * 0.0503% (0.40 1.0 0.02 0.02) = 0.050% HG2 GLU- 18 - HN GLN 16 1.786% * 0.0502% (0.40 1.0 0.02 0.88) = 0.050% HB3 PRO 35 - HN GLU- 12 1.786% * 0.0496% (0.40 1.0 0.02 0.02) = 0.050% HB3 PRO 35 - HN MET 118 1.786% * 0.0461% (0.37 1.0 0.02 0.02) = 0.046% HB3 GLU- 56 - HN GLN 16 1.786% * 0.0391% (0.31 1.0 0.02 0.02) = 0.039% HB3 MET 118 - HN ASN 89 1.786% * 0.0340% (0.27 1.0 0.02 0.02) = 0.034% HB ILE 29 - HN GLU- 12 1.786% * 0.0336% (0.27 1.0 0.02 0.02) = 0.034% HG3 LYS+ 120 - HN GLU- 12 1.786% * 0.0336% (0.27 1.0 0.02 0.02) = 0.034% HB3 GLU- 54 - HN ASN 89 1.786% * 0.0328% (0.26 1.0 0.02 0.02) = 0.033% HB3 GLN 102 - HN ASN 89 1.786% * 0.0321% (0.26 1.0 0.02 3.02) = 0.032% HB3 CYS 123 - HN ASN 89 1.786% * 0.0314% (0.25 1.0 0.02 0.02) = 0.031% HG3 LYS+ 120 - HN MET 118 1.786% * 0.0312% (0.25 1.0 0.02 0.02) = 0.031% HB ILE 29 - HN MET 118 1.786% * 0.0312% (0.25 1.0 0.02 0.02) = 0.031% HB2 GLU- 10 - HN GLN 16 1.786% * 0.0310% (0.25 1.0 0.02 0.02) = 0.031% HB3 ARG+ 84 - HN GLU- 12 1.786% * 0.0301% (0.24 1.0 0.02 0.02) = 0.030% HB3 PRO 35 - HN GLN 16 1.786% * 0.0284% (0.23 1.0 0.02 0.02) = 0.028% HB3 ARG+ 84 - HN MET 118 1.786% * 0.0280% (0.22 1.0 0.02 0.02) = 0.028% HD3 LYS+ 63 - HN ASN 89 1.786% * 0.0272% (0.22 1.0 0.02 0.02) = 0.027% HG2 GLU- 18 - HN ASN 89 1.786% * 0.0247% (0.20 1.0 0.02 2.30) = 0.025% HB3 GLN 16 - HN ASN 89 1.786% * 0.0206% (0.17 1.0 0.02 0.02) = 0.021% HB3 GLU- 56 - HN ASN 89 1.786% * 0.0192% (0.15 1.0 0.02 0.02) = 0.019% HG3 LYS+ 120 - HN GLN 16 1.786% * 0.0192% (0.15 1.0 0.02 0.15) = 0.019% HB ILE 29 - HN GLN 16 1.786% * 0.0192% (0.15 1.0 0.02 0.61) = 0.019% HB2 LEU 23 - HN ASN 89 1.786% * 0.0179% (0.14 1.0 0.02 0.27) = 0.018% HB3 ARG+ 84 - HN GLN 16 1.786% * 0.0172% (0.14 1.0 0.02 0.14) = 0.017% HB2 GLU- 10 - HN ASN 89 1.786% * 0.0152% (0.12 1.0 0.02 0.02) = 0.015% HB3 PRO 35 - HN ASN 89 1.786% * 0.0140% (0.11 1.0 0.02 0.02) = 0.014% HG3 LYS+ 120 - HN ASN 89 1.786% * 0.0094% (0.08 1.0 0.02 0.02) = 0.009% HB ILE 29 - HN ASN 89 1.786% * 0.0094% (0.08 1.0 0.02 0.02) = 0.009% HB3 ARG+ 84 - HN ASN 89 1.786% * 0.0085% (0.07 1.0 0.02 5.46) = 0.008% Peak 610 (4.22, 8.24, 120.21 ppm): 72 chemical-shift based assignments, quality = 0.856, support = 1.42, residual support = 2.67: O HA ALA 11 - HN GLU- 12 1.389% * 49.3215% (0.94 10.0 1.41 3.51) = 49.321% kept * O HA GLU- 12 - HN GLU- 12 1.389% * 36.8601% (1.00 10.0 1.00 0.38) = 36.860% kept O HA ASN 89 - HN ASN 89 1.389% * 10.5086% (0.14 10.0 3.31 7.62) = 10.509% kept HA ASN 89 - HN MET 118 1.389% * 1.1353% (0.93 1.0 0.33 0.02) = 1.135% kept HB3 SER 49 - HN MET 118 1.389% * 0.2754% (0.99 1.0 0.08 0.02) = 0.275% HB3 SER 49 - HN GLU- 12 1.389% * 0.0736% (0.99 1.0 0.02 0.02) = 0.074% HA GLU- 12 - HN MET 118 1.389% * 0.0735% (0.99 1.0 0.02 0.02) = 0.073% HA LYS+ 110 - HN GLU- 12 1.389% * 0.0731% (0.99 1.0 0.02 0.02) = 0.073% HA LYS+ 110 - HN MET 118 1.389% * 0.0728% (0.98 1.0 0.02 0.14) = 0.073% HA ALA 42 - HN GLU- 12 1.389% * 0.0723% (0.98 1.0 0.02 0.02) = 0.072% HA ALA 42 - HN MET 118 1.389% * 0.0720% (0.97 1.0 0.02 0.02) = 0.072% HA ALA 11 - HN MET 118 1.389% * 0.0695% (0.94 1.0 0.02 0.02) = 0.070% HA ASN 89 - HN GLU- 12 1.389% * 0.0689% (0.93 1.0 0.02 0.02) = 0.069% HB3 HIS+ 14 - HN GLU- 12 1.389% * 0.0639% (0.86 1.0 0.02 0.02) = 0.064% HB3 HIS+ 14 - HN MET 118 1.389% * 0.0637% (0.86 1.0 0.02 0.02) = 0.064% HA GLU- 109 - HN GLU- 12 1.389% * 0.0590% (0.80 1.0 0.02 0.02) = 0.059% HA GLU- 109 - HN MET 118 1.389% * 0.0588% (0.79 1.0 0.02 0.02) = 0.059% HA GLU- 18 - HN GLU- 12 1.389% * 0.0535% (0.72 1.0 0.02 0.02) = 0.054% HA GLU- 18 - HN MET 118 1.389% * 0.0534% (0.72 1.0 0.02 0.02) = 0.053% HA SER 49 - HN GLU- 12 1.389% * 0.0506% (0.68 1.0 0.02 0.02) = 0.051% HA SER 49 - HN MET 118 1.389% * 0.0505% (0.68 1.0 0.02 0.02) = 0.050% HA GLU- 54 - HN GLU- 12 1.389% * 0.0447% (0.60 1.0 0.02 0.02) = 0.045% HA GLU- 54 - HN MET 118 1.389% * 0.0446% (0.60 1.0 0.02 0.02) = 0.045% HA ASP- 82 - HN GLU- 12 1.389% * 0.0388% (0.52 1.0 0.02 0.02) = 0.039% HA ASP- 82 - HN MET 118 1.389% * 0.0387% (0.52 1.0 0.02 0.02) = 0.039% HA HIS+ 8 - HN GLU- 12 1.389% * 0.0359% (0.48 1.0 0.02 0.02) = 0.036% HA HIS+ 8 - HN MET 118 1.389% * 0.0358% (0.48 1.0 0.02 0.02) = 0.036% HA GLU- 12 - HN GLN 16 1.389% * 0.0287% (0.39 1.0 0.02 0.02) = 0.029% HB3 SER 49 - HN GLN 16 1.389% * 0.0287% (0.39 1.0 0.02 0.02) = 0.029% HA LYS+ 110 - HN GLN 16 1.389% * 0.0285% (0.38 1.0 0.02 0.02) = 0.028% HA ALA 42 - HN GLN 16 1.389% * 0.0281% (0.38 1.0 0.02 0.02) = 0.028% HA ALA 11 - HN GLN 16 1.389% * 0.0272% (0.37 1.0 0.02 0.02) = 0.027% HA ASN 89 - HN GLN 16 1.389% * 0.0268% (0.36 1.0 0.02 0.02) = 0.027% HB3 HIS+ 14 - HN GLN 16 1.389% * 0.0249% (0.34 1.0 0.02 0.18) = 0.025% HA VAL 73 - HN GLU- 12 1.389% * 0.0246% (0.33 1.0 0.02 0.02) = 0.025% HA VAL 73 - HN MET 118 1.389% * 0.0245% (0.33 1.0 0.02 0.02) = 0.024% HA GLU- 109 - HN GLN 16 1.389% * 0.0230% (0.31 1.0 0.02 0.02) = 0.023% HA GLU- 18 - HN GLN 16 1.389% * 0.0209% (0.28 1.0 0.02 0.88) = 0.021% HA GLU- 64 - HN GLU- 12 1.389% * 0.0205% (0.28 1.0 0.02 0.02) = 0.020% HA GLU- 64 - HN MET 118 1.389% * 0.0204% (0.28 1.0 0.02 0.02) = 0.020% HA SER 49 - HN GLN 16 1.389% * 0.0197% (0.27 1.0 0.02 0.02) = 0.020% HA GLU- 54 - HN GLN 16 1.389% * 0.0174% (0.24 1.0 0.02 0.02) = 0.017% HA ASP- 82 - HN GLN 16 1.389% * 0.0151% (0.20 1.0 0.02 0.02) = 0.015% HA PRO 59 - HN GLU- 12 1.389% * 0.0146% (0.20 1.0 0.02 0.02) = 0.015% HA PRO 59 - HN MET 118 1.389% * 0.0145% (0.20 1.0 0.02 0.02) = 0.015% HA LYS+ 44 - HN GLU- 12 1.389% * 0.0142% (0.19 1.0 0.02 0.02) = 0.014% HA LYS+ 44 - HN MET 118 1.389% * 0.0142% (0.19 1.0 0.02 0.02) = 0.014% HA HIS+ 8 - HN GLN 16 1.389% * 0.0140% (0.19 1.0 0.02 0.02) = 0.014% HA LYS+ 108 - HN GLU- 12 1.389% * 0.0129% (0.17 1.0 0.02 0.02) = 0.013% HA LYS+ 108 - HN MET 118 1.389% * 0.0129% (0.17 1.0 0.02 0.02) = 0.013% HA GLU- 12 - HN ASN 89 1.389% * 0.0112% (0.15 1.0 0.02 0.02) = 0.011% HB3 SER 49 - HN ASN 89 1.389% * 0.0112% (0.15 1.0 0.02 1.39) = 0.011% HA LYS+ 110 - HN ASN 89 1.389% * 0.0111% (0.15 1.0 0.02 0.02) = 0.011% HA ALA 42 - HN ASN 89 1.389% * 0.0110% (0.15 1.0 0.02 0.62) = 0.011% HA ALA 11 - HN ASN 89 1.389% * 0.0106% (0.14 1.0 0.02 0.22) = 0.011% HB3 HIS+ 14 - HN ASN 89 1.389% * 0.0098% (0.13 1.0 0.02 0.59) = 0.010% HA VAL 73 - HN GLN 16 1.389% * 0.0096% (0.13 1.0 0.02 0.02) = 0.010% HA GLU- 109 - HN ASN 89 1.389% * 0.0090% (0.12 1.0 0.02 0.02) = 0.009% HA GLU- 18 - HN ASN 89 1.389% * 0.0082% (0.11 1.0 0.02 2.30) = 0.008% HA GLU- 64 - HN GLN 16 1.389% * 0.0080% (0.11 1.0 0.02 0.02) = 0.008% HA SER 49 - HN ASN 89 1.389% * 0.0077% (0.10 1.0 0.02 1.39) = 0.008% HA GLU- 54 - HN ASN 89 1.389% * 0.0068% (0.09 1.0 0.02 0.02) = 0.007% HA ASP- 82 - HN ASN 89 1.389% * 0.0059% (0.08 1.0 0.02 0.21) = 0.006% HA PRO 59 - HN GLN 16 1.389% * 0.0057% (0.08 1.0 0.02 0.02) = 0.006% HA LYS+ 44 - HN GLN 16 1.389% * 0.0055% (0.07 1.0 0.02 0.02) = 0.006% HA HIS+ 8 - HN ASN 89 1.389% * 0.0055% (0.07 1.0 0.02 0.02) = 0.005% HA LYS+ 108 - HN GLN 16 1.389% * 0.0050% (0.07 1.0 0.02 0.02) = 0.005% HA VAL 73 - HN ASN 89 1.389% * 0.0037% (0.05 1.0 0.02 0.02) = 0.004% HA GLU- 64 - HN ASN 89 1.389% * 0.0031% (0.04 1.0 0.02 0.02) = 0.003% HA PRO 59 - HN ASN 89 1.389% * 0.0022% (0.03 1.0 0.02 0.02) = 0.002% HA LYS+ 44 - HN ASN 89 1.389% * 0.0022% (0.03 1.0 0.02 0.17) = 0.002% HA LYS+ 108 - HN ASN 89 1.389% * 0.0020% (0.03 1.0 0.02 0.02) = 0.002% Peak 611 (8.24, 8.25, 120.21 ppm): 3 diagonal assignments: * HN GLU- 12 - HN GLU- 12 (0.96) kept HN MET 118 - HN MET 118 (0.83) kept HN GLN 16 - HN GLN 16 (0.23) kept Peak 612 (1.34, 8.24, 120.21 ppm): 32 chemical-shift based assignments, quality = 0.687, support = 1.55, residual support = 5.03: * QB ALA 11 - HN GLU- 12 3.125% * 53.3899% (0.99 1.75 3.51) = 53.390% kept HB2 LEU 17 - HN GLN 16 3.125% * 24.6876% (0.37 2.15 12.53) = 24.688% kept HG LEU 74 - HN MET 118 3.125% * 7.0528% (0.60 0.38 0.14) = 7.053% kept HG LEU 74 - HN GLN 16 3.125% * 6.6643% (0.23 0.92 0.71) = 6.664% kept HG13 ILE 19 - HN MET 118 3.125% * 1.3215% (0.48 0.09 0.02) = 1.322% kept QB ALA 103 - HN MET 118 3.125% * 0.8831% (0.28 0.10 0.02) = 0.883% QB ALA 11 - HN MET 118 3.125% * 0.6082% (0.99 0.02 0.02) = 0.608% HB2 LEU 17 - HN GLU- 12 3.125% * 0.5901% (0.96 0.02 0.02) = 0.590% HB2 LEU 17 - HN MET 118 3.125% * 0.5882% (0.96 0.02 0.02) = 0.588% HG3 LYS+ 20 - HN GLU- 12 3.125% * 0.4673% (0.76 0.02 0.02) = 0.467% HG3 LYS+ 20 - HN MET 118 3.125% * 0.4658% (0.76 0.02 0.02) = 0.466% HG LEU 74 - HN ASN 89 3.125% * 0.3880% (0.09 0.14 2.30) = 0.388% HG LEU 74 - HN GLU- 12 3.125% * 0.3700% (0.60 0.02 0.02) = 0.370% HG13 ILE 19 - HN GLU- 12 3.125% * 0.2976% (0.48 0.02 0.02) = 0.298% HG3 ARG+ 22 - HN GLU- 12 3.125% * 0.2742% (0.45 0.02 0.02) = 0.274% HG3 ARG+ 22 - HN MET 118 3.125% * 0.2733% (0.44 0.02 0.02) = 0.273% QB ALA 11 - HN GLN 16 3.125% * 0.2377% (0.39 0.02 0.02) = 0.238% HG3 LYS+ 20 - HN GLN 16 3.125% * 0.1820% (0.30 0.02 0.02) = 0.182% QB ALA 103 - HN GLU- 12 3.125% * 0.1700% (0.28 0.02 0.02) = 0.170% QB ALA 91 - HN GLU- 12 3.125% * 0.1700% (0.28 0.02 0.02) = 0.170% QB ALA 91 - HN MET 118 3.125% * 0.1695% (0.28 0.02 0.02) = 0.169% HG13 ILE 19 - HN GLN 16 3.125% * 0.1159% (0.19 0.02 0.02) = 0.116% HG3 ARG+ 22 - HN GLN 16 3.125% * 0.1068% (0.17 0.02 0.02) = 0.107% QB ALA 11 - HN ASN 89 3.125% * 0.0931% (0.15 0.02 0.22) = 0.093% HB2 LEU 17 - HN ASN 89 3.125% * 0.0900% (0.15 0.02 2.91) = 0.090% HG3 LYS+ 20 - HN ASN 89 3.125% * 0.0713% (0.12 0.02 0.70) = 0.071% QB ALA 103 - HN GLN 16 3.125% * 0.0662% (0.11 0.02 0.02) = 0.066% QB ALA 91 - HN GLN 16 3.125% * 0.0662% (0.11 0.02 0.02) = 0.066% HG13 ILE 19 - HN ASN 89 3.125% * 0.0454% (0.07 0.02 3.37) = 0.045% HG3 ARG+ 22 - HN ASN 89 3.125% * 0.0418% (0.07 0.02 0.02) = 0.042% QB ALA 91 - HN ASN 89 3.125% * 0.0259% (0.04 0.02 4.29) = 0.026% QB ALA 103 - HN ASN 89 3.125% * 0.0259% (0.04 0.02 8.16) = 0.026% Peak 613 (2.20, 8.25, 120.21 ppm): 64 chemical-shift based assignments, quality = 0.311, support = 0.688, residual support = 2.49: HG2 GLN 16 - HN GLN 16 1.563% * 19.7655% (0.21 1.68 7.40) = 19.766% kept * HG3 MET 118 - HN MET 118 1.563% * 18.0269% (0.28 1.15 0.74) = 18.027% kept HG2 MET 126 - HN MET 118 1.563% * 12.2097% (0.83 0.26 0.02) = 12.210% kept HA1 GLY 58 - HN GLN 16 1.563% * 6.1159% (0.18 0.59 0.59) = 6.116% kept HG3 MET 126 - HN MET 118 1.563% * 5.3495% (0.65 0.14 0.02) = 5.350% kept HB2 GLU- 50 - HN ASN 89 1.563% * 4.8968% (0.14 0.60 3.94) = 4.897% kept HB3 PRO 104 - HN ASN 89 1.563% * 3.9691% (0.11 0.63 16.65) = 3.969% kept HB2 ASP- 82 - HN GLU- 12 1.563% * 3.6287% (0.24 0.27 0.02) = 3.629% kept HA1 GLY 58 - HN ASN 89 1.563% * 1.6398% (0.09 0.32 0.02) = 1.640% kept HA1 GLY 58 - HN GLU- 12 1.563% * 1.6254% (0.32 0.09 0.02) = 1.625% kept HB3 PRO 104 - HN MET 118 1.563% * 1.5704% (0.37 0.08 0.02) = 1.570% kept HB2 LYS+ 113 - HN GLU- 12 1.563% * 1.0913% (0.97 0.02 0.02) = 1.091% kept HG3 GLU- 54 - HN GLU- 12 1.563% * 1.0721% (0.95 0.02 0.02) = 1.072% kept HB2 LYS+ 113 - HN MET 118 1.563% * 1.0143% (0.90 0.02 0.02) = 1.014% kept HG2 MET 126 - HN GLU- 12 1.563% * 1.0097% (0.89 0.02 0.02) = 1.010% kept HG3 GLU- 54 - HN MET 118 1.563% * 0.9964% (0.88 0.02 0.02) = 0.996% HG2 GLN 102 - HN MET 118 1.563% * 0.8504% (0.20 0.08 0.02) = 0.850% HG3 MET 126 - HN GLU- 12 1.563% * 0.7942% (0.70 0.02 0.02) = 0.794% HG3 GLU- 109 - HN GLU- 12 1.563% * 0.7076% (0.63 0.02 0.02) = 0.708% HG3 GLU- 109 - HN MET 118 1.563% * 0.6576% (0.58 0.02 0.02) = 0.658% HB2 LYS+ 113 - HN GLN 16 1.563% * 0.6247% (0.55 0.02 0.02) = 0.625% HG3 GLU- 54 - HN GLN 16 1.563% * 0.6137% (0.54 0.02 0.02) = 0.614% HG2 MET 126 - HN GLN 16 1.563% * 0.5780% (0.51 0.02 0.02) = 0.578% HB2 GLU- 50 - HN GLU- 12 1.563% * 0.5754% (0.51 0.02 0.02) = 0.575% HB2 GLU- 50 - HN MET 118 1.563% * 0.5348% (0.47 0.02 0.02) = 0.535% HG3 GLU- 107 - HN GLU- 12 1.563% * 0.5324% (0.47 0.02 0.02) = 0.532% HG3 GLU- 107 - HN MET 118 1.563% * 0.4948% (0.44 0.02 0.02) = 0.495% HG3 GLU- 18 - HN GLU- 12 1.563% * 0.4904% (0.43 0.02 0.02) = 0.490% HG3 GLU- 18 - HN MET 118 1.563% * 0.4558% (0.40 0.02 0.02) = 0.456% HG3 MET 126 - HN GLN 16 1.563% * 0.4547% (0.40 0.02 0.02) = 0.455% HB3 PRO 104 - HN GLU- 12 1.563% * 0.4497% (0.40 0.02 0.02) = 0.450% HG2 GLN 16 - HN GLU- 12 1.563% * 0.4105% (0.36 0.02 0.02) = 0.410% HG3 GLU- 109 - HN GLN 16 1.563% * 0.4050% (0.36 0.02 0.02) = 0.405% HG2 GLN 16 - HN MET 118 1.563% * 0.3815% (0.34 0.02 0.02) = 0.382% HG3 MET 118 - HN GLU- 12 1.563% * 0.3376% (0.30 0.02 0.02) = 0.338% HA1 GLY 58 - HN MET 118 1.563% * 0.3355% (0.30 0.02 0.02) = 0.335% HB2 GLU- 50 - HN GLN 16 1.563% * 0.3294% (0.29 0.02 0.02) = 0.329% HB2 LYS+ 113 - HN ASN 89 1.563% * 0.3072% (0.27 0.02 0.63) = 0.307% HG3 GLU- 107 - HN GLN 16 1.563% * 0.3048% (0.27 0.02 0.02) = 0.305% HG3 GLU- 54 - HN ASN 89 1.563% * 0.3017% (0.27 0.02 0.02) = 0.302% HG2 MET 126 - HN ASN 89 1.563% * 0.2842% (0.25 0.02 0.02) = 0.284% HG3 GLU- 18 - HN GLN 16 1.563% * 0.2807% (0.25 0.02 0.88) = 0.281% HB3 PRO 104 - HN GLN 16 1.563% * 0.2574% (0.23 0.02 0.02) = 0.257% HB2 ASP- 82 - HN MET 118 1.563% * 0.2535% (0.22 0.02 0.02) = 0.253% HB3 PRO 52 - HN GLU- 12 1.563% * 0.2435% (0.22 0.02 0.02) = 0.244% HG2 GLN 102 - HN GLU- 12 1.563% * 0.2435% (0.22 0.02 0.02) = 0.244% HB3 PRO 52 - HN MET 118 1.563% * 0.2263% (0.20 0.02 0.02) = 0.226% HG3 MET 126 - HN ASN 89 1.563% * 0.2235% (0.20 0.02 0.02) = 0.224% HG3 GLU- 109 - HN ASN 89 1.563% * 0.1991% (0.18 0.02 0.02) = 0.199% HB3 GLU- 75 - HN GLU- 12 1.563% * 0.1936% (0.17 0.02 0.02) = 0.194% HG3 MET 118 - HN GLN 16 1.563% * 0.1933% (0.17 0.02 0.02) = 0.193% HB3 GLU- 75 - HN MET 118 1.563% * 0.1800% (0.16 0.02 0.02) = 0.180% HB2 ASP- 82 - HN GLN 16 1.563% * 0.1561% (0.14 0.02 0.02) = 0.156% HG3 GLU- 107 - HN ASN 89 1.563% * 0.1498% (0.13 0.02 0.02) = 0.150% HB3 PRO 52 - HN GLN 16 1.563% * 0.1394% (0.12 0.02 0.02) = 0.139% HG2 GLN 102 - HN GLN 16 1.563% * 0.1394% (0.12 0.02 0.02) = 0.139% HG3 GLU- 18 - HN ASN 89 1.563% * 0.1380% (0.12 0.02 2.30) = 0.138% HG2 GLN 16 - HN ASN 89 1.563% * 0.1155% (0.10 0.02 0.02) = 0.116% HB3 GLU- 75 - HN GLN 16 1.563% * 0.1108% (0.10 0.02 0.02) = 0.111% HG3 MET 118 - HN ASN 89 1.563% * 0.0950% (0.08 0.02 0.02) = 0.095% HB2 ASP- 82 - HN ASN 89 1.563% * 0.0768% (0.07 0.02 0.21) = 0.077% HB3 PRO 52 - HN ASN 89 1.563% * 0.0685% (0.06 0.02 0.02) = 0.069% HG2 GLN 102 - HN ASN 89 1.563% * 0.0685% (0.06 0.02 3.02) = 0.069% HB3 GLU- 75 - HN ASN 89 1.563% * 0.0545% (0.05 0.02 0.02) = 0.054% Peak 614 (7.71, 8.24, 120.21 ppm): 8 chemical-shift based assignments, quality = 0.921, support = 0.69, residual support = 0.855: * HN VAL 13 - HN GLU- 12 12.500% * 89.7850% (1.00 0.75 0.93) = 89.785% kept HN ALA 42 - HN ASN 89 12.500% * 3.1724% (0.06 0.46 0.62) = 3.172% kept HN VAL 13 - HN MET 118 12.500% * 2.3866% (0.99 0.02 0.02) = 2.387% kept HN ALA 42 - HN GLN 16 12.500% * 1.5639% (0.15 0.09 0.02) = 1.564% kept HN VAL 13 - HN GLN 16 12.500% * 0.9326% (0.39 0.02 0.02) = 0.933% HN ALA 42 - HN GLU- 12 12.500% * 0.8986% (0.37 0.02 0.02) = 0.899% HN ALA 42 - HN MET 118 12.500% * 0.8957% (0.37 0.02 0.02) = 0.896% HN VAL 13 - HN ASN 89 12.500% * 0.3652% (0.15 0.02 1.02) = 0.365% 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 624 (4.77, 8.26, 120.02 ppm): 32 chemical-shift based assignments, quality = 0.702, support = 2.01, residual support = 3.21: O HA ASN 15 - HN GLN 16 3.125% * 75.4818% (0.88 10.0 1.86 2.48) = 75.482% kept O HA ASN 89 - HN ASN 89 3.125% * 17.1212% (0.19 10.0 3.31 7.62) = 17.121% kept * O HA MET 118 - HN MET 118 3.125% * 3.7578% (0.08 10.0 1.03 0.74) = 3.758% kept HA ASP- 115 - HN ASN 89 3.125% * 0.9055% (0.69 1.0 0.28 0.02) = 0.905% HA PRO 116 - HN GLN 16 3.125% * 0.8997% (0.86 1.0 0.23 0.02) = 0.900% HA ASP- 115 - HN GLN 16 3.125% * 0.8458% (0.94 1.0 0.20 0.02) = 0.846% HA ASN 15 - HN ASN 89 3.125% * 0.2795% (0.65 1.0 0.09 0.02) = 0.280% HA ASN 89 - HN MET 118 3.125% * 0.1142% (0.08 1.0 0.33 0.02) = 0.114% HA LYS+ 113 - HN GLN 16 3.125% * 0.0603% (0.66 1.0 0.02 0.02) = 0.060% HA PRO 116 - HN ASN 89 3.125% * 0.0581% (0.63 1.0 0.02 0.02) = 0.058% HA LYS+ 113 - HN ASN 89 3.125% * 0.0445% (0.49 1.0 0.02 0.63) = 0.045% HA ASP- 115 - HN GLU- 12 3.125% * 0.0346% (0.38 1.0 0.02 0.02) = 0.035% HA ASN 15 - HN GLU- 12 3.125% * 0.0326% (0.35 1.0 0.02 0.02) = 0.033% HA PRO 116 - HN GLU- 12 3.125% * 0.0316% (0.34 1.0 0.02 0.02) = 0.032% HA VAL 40 - HN GLN 16 3.125% * 0.0300% (0.33 1.0 0.02 0.02) = 0.030% HA ASP- 115 - HN MET 118 3.125% * 0.0256% (0.28 1.0 0.02 0.02) = 0.026% HA MET 118 - HN GLN 16 3.125% * 0.0244% (0.27 1.0 0.02 0.02) = 0.024% HA HIS+ 5 - HN GLN 16 3.125% * 0.0244% (0.27 1.0 0.02 0.02) = 0.024% HA LYS+ 113 - HN GLU- 12 3.125% * 0.0242% (0.26 1.0 0.02 0.02) = 0.024% HA ASN 15 - HN MET 118 3.125% * 0.0241% (0.26 1.0 0.02 0.02) = 0.024% HA PRO 116 - HN MET 118 3.125% * 0.0235% (0.26 1.0 0.02 0.02) = 0.023% HA ASN 89 - HN GLN 16 3.125% * 0.0232% (0.25 1.0 0.02 0.02) = 0.023% HA VAL 40 - HN ASN 89 3.125% * 0.0221% (0.24 1.0 0.02 0.02) = 0.022% HA MET 118 - HN ASN 89 3.125% * 0.0180% (0.20 1.0 0.02 0.02) = 0.018% HA HIS+ 5 - HN ASN 89 3.125% * 0.0180% (0.20 1.0 0.02 0.02) = 0.018% HA LYS+ 113 - HN MET 118 3.125% * 0.0180% (0.20 1.0 0.02 0.02) = 0.018% HA VAL 40 - HN GLU- 12 3.125% * 0.0120% (0.13 1.0 0.02 0.02) = 0.012% HA HIS+ 5 - HN GLU- 12 3.125% * 0.0098% (0.11 1.0 0.02 0.02) = 0.010% HA MET 118 - HN GLU- 12 3.125% * 0.0098% (0.11 1.0 0.02 0.02) = 0.010% HA ASN 89 - HN GLU- 12 3.125% * 0.0093% (0.10 1.0 0.02 0.02) = 0.009% HA VAL 40 - HN MET 118 3.125% * 0.0089% (0.10 1.0 0.02 0.02) = 0.009% HA HIS+ 5 - HN MET 118 3.125% * 0.0073% (0.08 1.0 0.02 0.02) = 0.007% Peak 625 (8.06, 8.26, 120.02 ppm): 16 chemical-shift based assignments, quality = 0.792, support = 0.971, residual support = 1.71: HN ASN 15 - HN GLN 16 6.250% * 68.6212% (0.92 1.31 2.48) = 68.621% kept HN ASN 15 - HN ASN 89 6.250% * 13.8745% (0.68 0.36 0.02) = 13.875% kept HN CYS 121 - HN GLN 16 6.250% * 5.6693% (0.43 0.23 0.02) = 5.669% kept HN HIS+ 5 - HN GLN 16 6.250% * 3.8186% (0.73 0.09 0.02) = 3.819% kept HN HIS+ 5 - HN GLU- 12 6.250% * 3.2040% (0.29 0.19 0.02) = 3.204% kept HN LYS+ 110 - HN GLU- 12 6.250% * 1.5209% (0.17 0.16 0.02) = 1.521% kept HN HIS+ 5 - HN ASN 89 6.250% * 0.6140% (0.54 0.02 0.02) = 0.614% HN LYS+ 110 - HN GLN 16 6.250% * 0.4880% (0.43 0.02 0.02) = 0.488% HN ASN 15 - HN GLU- 12 6.250% * 0.4220% (0.37 0.02 0.02) = 0.422% HN LYS+ 110 - HN ASN 89 6.250% * 0.3602% (0.32 0.02 0.02) = 0.360% HN CYS 121 - HN ASN 89 6.250% * 0.3602% (0.32 0.02 0.02) = 0.360% HN ASN 15 - HN MET 118 6.250% * 0.3128% (0.27 0.02 0.02) = 0.313% HN HIS+ 5 - HN MET 118 6.250% * 0.2477% (0.22 0.02 0.02) = 0.248% HN CYS 121 - HN GLU- 12 6.250% * 0.1961% (0.17 0.02 0.02) = 0.196% HN CYS 121 - HN MET 118 6.250% * 0.1453% (0.13 0.02 0.02) = 0.145% HN LYS+ 110 - HN MET 118 6.250% * 0.1453% (0.13 0.02 0.14) = 0.145% Reference assignment not found: HN SER 88 - HN ASN 89 Peak 626 (0.95, 8.75, 120.07 ppm): 20 chemical-shift based assignments, quality = 0.798, support = 2.65, residual support = 17.3: QG2 VAL 62 - HN VAL 62 5.000% * 43.3366% (0.97 3.56 30.13) = 43.337% kept HG3 LYS+ 63 - HN VAL 62 5.000% * 20.6534% (0.96 1.72 16.85) = 20.653% kept HG LEU 74 - HN VAL 62 5.000% * 16.0064% (0.68 1.89 1.71) = 16.006% kept * HG12 ILE 68 - HN SER 69 5.000% * 10.7288% (0.25 3.49 4.08) = 10.729% kept QG2 ILE 29 - HN VAL 62 5.000% * 4.0051% (0.98 0.33 0.02) = 4.005% kept HG LEU 74 - HN SER 69 5.000% * 3.5355% (0.17 1.67 1.80) = 3.535% kept QG2 VAL 73 - HN SER 69 5.000% * 0.4174% (0.05 0.61 0.02) = 0.417% HG12 ILE 68 - HN VAL 62 5.000% * 0.2453% (0.98 0.02 0.02) = 0.245% HG12 ILE 29 - HN VAL 62 5.000% * 0.2404% (0.96 0.02 0.02) = 0.240% QG1 VAL 105 - HN VAL 62 5.000% * 0.1875% (0.75 0.02 0.02) = 0.187% QD1 LEU 17 - HN VAL 62 5.000% * 0.1781% (0.71 0.02 0.02) = 0.178% QG2 ILE 29 - HN SER 69 5.000% * 0.0615% (0.25 0.02 0.02) = 0.061% QG2 VAL 99 - HN VAL 62 5.000% * 0.0612% (0.24 0.02 0.02) = 0.061% QG2 VAL 62 - HN SER 69 5.000% * 0.0609% (0.24 0.02 0.02) = 0.061% HG12 ILE 29 - HN SER 69 5.000% * 0.0602% (0.24 0.02 0.02) = 0.060% HG3 LYS+ 63 - HN SER 69 5.000% * 0.0602% (0.24 0.02 0.02) = 0.060% QG2 VAL 73 - HN VAL 62 5.000% * 0.0546% (0.22 0.02 0.02) = 0.055% QG1 VAL 105 - HN SER 69 5.000% * 0.0470% (0.19 0.02 0.02) = 0.047% QD1 LEU 17 - HN SER 69 5.000% * 0.0446% (0.18 0.02 0.02) = 0.045% QG2 VAL 99 - HN SER 69 5.000% * 0.0153% (0.06 0.02 0.02) = 0.015% Peak 627 (8.75, 8.75, 120.07 ppm): 1 diagonal assignment: * HN VAL 62 - HN VAL 62 (0.94) kept Peak 628 (4.35, 8.75, 120.07 ppm): 28 chemical-shift based assignments, quality = 0.577, support = 2.58, residual support = 6.23: * HB THR 61 - HN VAL 62 3.571% * 52.4643% (0.67 4.00 11.80) = 52.464% kept HA ASN 89 - HN VAL 62 3.571% * 14.0514% (0.78 0.92 0.02) = 14.051% kept HA LYS+ 60 - HN VAL 62 3.571% * 13.1575% (0.37 1.83 0.13) = 13.158% kept HA VAL 73 - HN SER 69 3.571% * 4.7600% (0.24 1.00 0.02) = 4.760% kept HA THR 38 - HN VAL 62 3.571% * 4.7110% (0.48 0.51 0.02) = 4.711% kept HA ASN 89 - HN SER 69 3.571% * 2.8271% (0.20 0.74 0.65) = 2.827% kept HA VAL 73 - HN VAL 62 3.571% * 2.4171% (0.97 0.13 0.02) = 2.417% kept HA VAL 94 - HN SER 69 3.571% * 2.3990% (0.15 0.83 0.12) = 2.399% kept HA1 GLY 26 - HN VAL 62 3.571% * 0.3814% (0.98 0.02 0.02) = 0.381% HA HIS+ 3 - HN VAL 62 3.571% * 0.3789% (0.97 0.02 0.35) = 0.379% HA MET 1 - HN VAL 62 3.571% * 0.3689% (0.94 0.02 0.02) = 0.369% HA LYS+ 117 - HN VAL 62 3.571% * 0.3428% (0.88 0.02 0.02) = 0.343% HA2 GLY 26 - HN VAL 62 3.571% * 0.3061% (0.78 0.02 0.02) = 0.306% HB3 HIS+ 4 - HN VAL 62 3.571% * 0.2626% (0.67 0.02 0.02) = 0.263% HA VAL 94 - HN VAL 62 3.571% * 0.2318% (0.59 0.02 0.02) = 0.232% HA ALA 37 - HN VAL 62 3.571% * 0.1180% (0.30 0.02 0.02) = 0.118% HA ASN 57 - HN VAL 62 3.571% * 0.1063% (0.27 0.02 0.02) = 0.106% HA1 GLY 26 - HN SER 69 3.571% * 0.0956% (0.24 0.02 0.02) = 0.096% HA HIS+ 3 - HN SER 69 3.571% * 0.0949% (0.24 0.02 0.02) = 0.095% HA MET 1 - HN SER 69 3.571% * 0.0924% (0.24 0.02 0.02) = 0.092% HA LYS+ 117 - HN SER 69 3.571% * 0.0859% (0.22 0.02 0.02) = 0.086% HA2 GLY 26 - HN SER 69 3.571% * 0.0767% (0.20 0.02 0.02) = 0.077% HB3 HIS+ 4 - HN SER 69 3.571% * 0.0658% (0.17 0.02 0.02) = 0.066% HB THR 61 - HN SER 69 3.571% * 0.0658% (0.17 0.02 0.02) = 0.066% HA THR 38 - HN SER 69 3.571% * 0.0466% (0.12 0.02 0.02) = 0.047% HA LYS+ 60 - HN SER 69 3.571% * 0.0359% (0.09 0.02 0.02) = 0.036% HA ALA 37 - HN SER 69 3.571% * 0.0296% (0.08 0.02 0.02) = 0.030% HA ASN 57 - HN SER 69 3.571% * 0.0266% (0.07 0.02 0.02) = 0.027% Peak 629 (2.05, 8.75, 120.07 ppm): 28 chemical-shift based assignments, quality = 0.935, support = 3.59, residual support = 29.8: * O HB VAL 62 - HN VAL 62 3.571% * 99.0775% (0.94 10.0 3.62 30.13) = 99.078% kept HB3 GLU- 10 - HN VAL 62 3.571% * 0.1024% (0.98 1.0 0.02 0.02) = 0.102% HB2 GLU- 45 - HN VAL 62 3.571% * 0.1006% (0.96 1.0 0.02 0.84) = 0.101% HG3 PRO 86 - HN VAL 62 3.571% * 0.0991% (0.94 1.0 0.02 0.02) = 0.099% HB3 LYS+ 110 - HN VAL 62 3.571% * 0.0822% (0.78 1.0 0.02 0.02) = 0.082% HB3 GLU- 75 - HN VAL 62 3.571% * 0.0714% (0.68 1.0 0.02 0.02) = 0.071% HB3 GLU- 107 - HN VAL 62 3.571% * 0.0664% (0.63 1.0 0.02 0.02) = 0.066% HB3 GLU- 45 - HN VAL 62 3.571% * 0.0500% (0.48 1.0 0.02 0.84) = 0.050% HG3 ARG+ 53 - HN VAL 62 3.571% * 0.0385% (0.37 1.0 0.02 0.02) = 0.039% HB3 PRO 31 - HN VAL 62 3.571% * 0.0285% (0.27 1.0 0.02 0.02) = 0.029% HB2 LYS+ 44 - HN VAL 62 3.571% * 0.0285% (0.27 1.0 0.02 0.85) = 0.029% HB3 GLU- 10 - HN SER 69 3.571% * 0.0257% (0.24 1.0 0.02 0.02) = 0.026% HB2 GLU- 45 - HN SER 69 3.571% * 0.0252% (0.24 1.0 0.02 0.02) = 0.025% HG3 PRO 86 - HN SER 69 3.571% * 0.0248% (0.24 1.0 0.02 0.02) = 0.025% HB VAL 62 - HN SER 69 3.571% * 0.0248% (0.24 1.0 0.02 0.02) = 0.025% HB3 LYS+ 110 - HN SER 69 3.571% * 0.0206% (0.20 1.0 0.02 0.02) = 0.021% HB2 PRO 112 - HN VAL 62 3.571% * 0.0203% (0.19 1.0 0.02 0.02) = 0.020% HB3 GLU- 75 - HN SER 69 3.571% * 0.0179% (0.17 1.0 0.02 0.02) = 0.018% HB3 GLU- 107 - HN SER 69 3.571% * 0.0166% (0.16 1.0 0.02 0.02) = 0.017% HB3 PRO 112 - HN VAL 62 3.571% * 0.0158% (0.15 1.0 0.02 0.02) = 0.016% HG2 PRO 116 - HN VAL 62 3.571% * 0.0139% (0.13 1.0 0.02 0.02) = 0.014% HB3 GLU- 45 - HN SER 69 3.571% * 0.0125% (0.12 1.0 0.02 0.02) = 0.013% HG3 ARG+ 53 - HN SER 69 3.571% * 0.0097% (0.09 1.0 0.02 0.02) = 0.010% HB2 LYS+ 44 - HN SER 69 3.571% * 0.0072% (0.07 1.0 0.02 0.02) = 0.007% HB3 PRO 31 - HN SER 69 3.571% * 0.0072% (0.07 1.0 0.02 0.11) = 0.007% HB2 PRO 112 - HN SER 69 3.571% * 0.0051% (0.05 1.0 0.02 0.02) = 0.005% HB3 PRO 112 - HN SER 69 3.571% * 0.0040% (0.04 1.0 0.02 0.02) = 0.004% HG2 PRO 116 - HN SER 69 3.571% * 0.0035% (0.03 1.0 0.02 0.02) = 0.003% Peak 630 (4.69, 8.75, 120.07 ppm): 16 chemical-shift based assignments, quality = 0.952, support = 2.54, residual support = 11.5: * O HA THR 61 - HN VAL 62 6.250% * 97.6557% (0.97 10.0 2.59 11.80) = 97.656% kept HA ASN 89 - HN VAL 62 6.250% * 1.6213% (0.35 1.0 0.92 0.02) = 1.621% kept HA ASN 89 - HN SER 69 6.250% * 0.3262% (0.09 1.0 0.74 0.65) = 0.326% HA GLN 16 - HN VAL 62 6.250% * 0.0983% (0.98 1.0 0.02 0.02) = 0.098% HA ASN 119 - HN VAL 62 6.250% * 0.0932% (0.93 1.0 0.02 0.02) = 0.093% HA TYR 83 - HN VAL 62 6.250% * 0.0558% (0.55 1.0 0.02 0.02) = 0.056% HA GLN 16 - HN SER 69 6.250% * 0.0246% (0.24 1.0 0.02 0.02) = 0.025% HA THR 61 - HN SER 69 6.250% * 0.0245% (0.24 1.0 0.02 0.02) = 0.024% HA ASN 119 - HN SER 69 6.250% * 0.0234% (0.23 1.0 0.02 0.02) = 0.023% HA2 GLY 30 - HN VAL 62 6.250% * 0.0219% (0.22 1.0 0.02 0.02) = 0.022% HA ASP- 36 - HN VAL 62 6.250% * 0.0152% (0.15 1.0 0.02 0.02) = 0.015% HA TYR 83 - HN SER 69 6.250% * 0.0140% (0.14 1.0 0.02 0.02) = 0.014% HA LYS+ 120 - HN VAL 62 6.250% * 0.0133% (0.13 1.0 0.02 0.02) = 0.013% HA2 GLY 30 - HN SER 69 6.250% * 0.0055% (0.05 1.0 0.02 0.02) = 0.005% HA ASP- 36 - HN SER 69 6.250% * 0.0038% (0.04 1.0 0.02 0.02) = 0.004% HA LYS+ 120 - HN SER 69 6.250% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% Peak 631 (7.82, 8.75, 120.07 ppm): 6 chemical-shift based assignments, quality = 0.924, support = 4.16, residual support = 16.8: * T HN LYS+ 63 - HN VAL 62 16.667% * 99.8393% (0.93 10.00 4.17 16.85) = 99.839% kept HN LYS+ 55 - HN VAL 62 16.667% * 0.0725% (0.67 1.00 0.02 0.02) = 0.072% HN ALA 93 - HN VAL 62 16.667% * 0.0360% (0.33 1.00 0.02 0.02) = 0.036% HN LYS+ 63 - HN SER 69 16.667% * 0.0250% (0.23 1.00 0.02 0.02) = 0.025% HN LYS+ 55 - HN SER 69 16.667% * 0.0182% (0.17 1.00 0.02 0.02) = 0.018% HN ALA 93 - HN SER 69 16.667% * 0.0090% (0.08 1.00 0.02 0.02) = 0.009% Peak 632 (1.11, 8.75, 120.07 ppm): 16 chemical-shift based assignments, quality = 0.885, support = 2.93, residual support = 7.11: * QG2 THR 61 - HN VAL 62 6.250% * 55.6373% (0.98 4.08 11.80) = 55.637% kept HG LEU 74 - HN VAL 62 6.250% * 25.6622% (0.97 1.89 1.71) = 25.662% kept QG2 THR 96 - HN VAL 62 6.250% * 7.5842% (0.67 0.81 0.02) = 7.584% kept HG LEU 74 - HN SER 69 6.250% * 5.6682% (0.24 1.67 1.80) = 5.668% kept QG2 THR 79 - HN VAL 62 6.250% * 3.5034% (0.71 0.35 0.02) = 3.503% kept QG2 THR 95 - HN VAL 62 6.250% * 1.0020% (0.22 0.33 0.02) = 1.002% kept HG3 LYS+ 32 - HN SER 69 6.250% * 0.5202% (0.05 0.68 0.02) = 0.520% HD3 LYS+ 111 - HN VAL 62 6.250% * 0.0843% (0.30 0.02 0.02) = 0.084% QG2 THR 61 - HN SER 69 6.250% * 0.0683% (0.24 0.02 0.02) = 0.068% QB ALA 33 - HN VAL 62 6.250% * 0.0608% (0.22 0.02 0.02) = 0.061% HG3 LYS+ 32 - HN VAL 62 6.250% * 0.0608% (0.22 0.02 0.02) = 0.061% QG2 THR 79 - HN SER 69 6.250% * 0.0497% (0.18 0.02 0.02) = 0.050% QG2 THR 96 - HN SER 69 6.250% * 0.0470% (0.17 0.02 0.02) = 0.047% HD3 LYS+ 111 - HN SER 69 6.250% * 0.0211% (0.08 0.02 0.02) = 0.021% QB ALA 33 - HN SER 69 6.250% * 0.0152% (0.05 0.02 0.12) = 0.015% QG2 THR 95 - HN SER 69 6.250% * 0.0152% (0.05 0.02 0.02) = 0.015% Peak 633 (3.43, 8.75, 120.07 ppm): 14 chemical-shift based assignments, quality = 0.695, support = 3.05, residual support = 24.5: O HA VAL 62 - HN VAL 62 7.143% * 80.6107% (0.78 10.0 3.54 30.13) = 80.611% kept * O HB2 SER 69 - HN SER 69 7.143% * 14.5028% (0.25 10.0 1.15 1.23) = 14.503% kept HA THR 39 - HN VAL 62 7.143% * 2.4112% (0.93 1.0 0.51 0.02) = 2.411% kept HA ASN 89 - HN VAL 62 7.143% * 1.6947% (0.36 1.0 0.92 0.02) = 1.695% kept HA ASN 89 - HN SER 69 7.143% * 0.3410% (0.09 1.0 0.74 0.65) = 0.341% HA ILE 48 - HN SER 69 7.143% * 0.1131% (0.04 1.0 0.52 0.91) = 0.113% HB2 SER 69 - HN VAL 62 7.143% * 0.1007% (0.98 1.0 0.02 0.02) = 0.101% HB THR 79 - HN VAL 62 7.143% * 0.1004% (0.98 1.0 0.02 0.02) = 0.100% HA VAL 80 - HN VAL 62 7.143% * 0.0311% (0.30 1.0 0.02 0.61) = 0.031% HB THR 79 - HN SER 69 7.143% * 0.0252% (0.24 1.0 0.02 0.02) = 0.025% HA THR 39 - HN SER 69 7.143% * 0.0239% (0.23 1.0 0.02 0.02) = 0.024% HA VAL 62 - HN SER 69 7.143% * 0.0202% (0.20 1.0 0.02 0.02) = 0.020% HA ILE 48 - HN VAL 62 7.143% * 0.0173% (0.17 1.0 0.02 10.27) = 0.017% HA VAL 80 - HN SER 69 7.143% * 0.0078% (0.08 1.0 0.02 0.02) = 0.008% Peak 634 (8.42, 8.43, 120.11 ppm): 1 diagonal assignment: * HN HIS+ 14 - HN HIS+ 14 (0.71) kept Peak 635 (8.02, 8.43, 120.11 ppm): 4 chemical-shift based assignments, quality = 0.706, support = 0.412, residual support = 0.238: HN SER 27 - HN HIS+ 14 25.000% * 90.4337% (0.71 0.45 0.26) = 90.434% kept HN LYS+ 111 - HN HIS+ 14 25.000% * 3.9908% (0.71 0.02 0.02) = 3.991% kept HN ILE 19 - HN HIS+ 14 25.000% * 3.6840% (0.66 0.02 0.02) = 3.684% kept HN MET 126 - HN HIS+ 14 25.000% * 1.8914% (0.34 0.02 0.02) = 1.891% kept Reference assignment not found: HN ASN 15 - HN HIS+ 14 Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 636 (2.76, 8.43, 120.11 ppm): 9 chemical-shift based assignments, quality = 0.686, support = 1.85, residual support = 5.66: HB3 ASN 15 - HN HIS+ 14 11.111% * 70.8877% (0.74 2.38 7.95) = 70.888% kept HA1 GLY 58 - HN HIS+ 14 11.111% * 18.6250% (0.76 0.60 0.02) = 18.625% kept HB3 ASN 89 - HN HIS+ 14 11.111% * 3.7603% (0.14 0.65 0.59) = 3.760% kept HB3 ASP- 115 - HN HIS+ 14 11.111% * 3.2934% (0.14 0.57 0.16) = 3.293% kept HE3 LYS+ 20 - HN HIS+ 14 11.111% * 2.2864% (0.43 0.13 0.02) = 2.286% kept HB2 HIS+ 5 - HN HIS+ 14 11.111% * 0.5320% (0.66 0.02 0.02) = 0.532% HB3 PHE 21 - HN HIS+ 14 11.111% * 0.2051% (0.25 0.02 0.02) = 0.205% HB2 ASN 119 - HN HIS+ 14 11.111% * 0.2051% (0.25 0.02 0.02) = 0.205% HB3 ASN 57 - HN HIS+ 14 11.111% * 0.2051% (0.25 0.02 0.02) = 0.205% Peak 637 (2.79, 8.28, 120.11 ppm): 24 chemical-shift based assignments, quality = 0.932, support = 1.58, residual support = 7.05: * O HB3 ASN 89 - HN ASN 89 4.167% * 90.8331% (0.98 10.0 1.59 7.62) = 90.833% kept HB3 ASN 15 - HN GLN 16 4.167% * 4.3620% (0.27 1.0 2.80 2.48) = 4.362% kept HA1 GLY 58 - HN GLN 16 4.167% * 2.1857% (0.63 1.0 0.59 0.59) = 2.186% kept HA1 GLY 58 - HN ASN 89 4.167% * 1.6457% (0.87 1.0 0.32 0.02) = 1.646% kept HB3 ASN 57 - HN ASN 89 4.167% * 0.1083% (0.93 1.0 0.02 0.02) = 0.108% HB2 ASN 119 - HN ASN 89 4.167% * 0.1083% (0.93 1.0 0.02 0.02) = 0.108% HB3 ASN 89 - HN GLN 16 4.167% * 0.0829% (0.71 1.0 0.02 0.02) = 0.083% HA2 GLY 58 - HN ASN 89 4.167% * 0.0786% (0.67 1.0 0.02 0.02) = 0.079% HB2 ASN 119 - HN GLN 16 4.167% * 0.0784% (0.67 1.0 0.02 0.85) = 0.078% HB3 ASN 57 - HN GLN 16 4.167% * 0.0784% (0.67 1.0 0.02 0.02) = 0.078% HA1 GLY 58 - HN GLU- 12 4.167% * 0.0689% (0.13 1.0 0.09 0.02) = 0.069% HE3 LYS+ 32 - HN ASN 89 4.167% * 0.0648% (0.56 1.0 0.02 0.95) = 0.065% HA2 GLY 58 - HN GLN 16 4.167% * 0.0569% (0.49 1.0 0.02 0.59) = 0.057% HE3 LYS+ 32 - HN GLN 16 4.167% * 0.0469% (0.40 1.0 0.02 0.02) = 0.047% HE3 LYS+ 111 - HN ASN 89 4.167% * 0.0429% (0.37 1.0 0.02 0.02) = 0.043% HB3 ASN 15 - HN ASN 89 4.167% * 0.0429% (0.37 1.0 0.02 0.02) = 0.043% HE3 LYS+ 111 - HN GLN 16 4.167% * 0.0311% (0.27 1.0 0.02 0.02) = 0.031% HB3 ASN 89 - HN GLU- 12 4.167% * 0.0172% (0.15 1.0 0.02 0.02) = 0.017% HB3 ASN 57 - HN GLU- 12 4.167% * 0.0162% (0.14 1.0 0.02 0.02) = 0.016% HB2 ASN 119 - HN GLU- 12 4.167% * 0.0162% (0.14 1.0 0.02 0.02) = 0.016% HA2 GLY 58 - HN GLU- 12 4.167% * 0.0118% (0.10 1.0 0.02 0.02) = 0.012% HE3 LYS+ 32 - HN GLU- 12 4.167% * 0.0097% (0.08 1.0 0.02 0.02) = 0.010% HB3 ASN 15 - HN GLU- 12 4.167% * 0.0064% (0.06 1.0 0.02 0.02) = 0.006% HE3 LYS+ 111 - HN GLU- 12 4.167% * 0.0064% (0.06 1.0 0.02 0.02) = 0.006% Peak 638 (7.71, 8.28, 120.11 ppm): 6 chemical-shift based assignments, quality = 0.432, support = 0.47, residual support = 0.644: HN ALA 42 - HN ASN 89 16.667% * 57.8417% (0.52 0.46 0.62) = 57.842% kept HN VAL 13 - HN GLU- 12 16.667% * 25.7907% (0.14 0.75 0.93) = 25.791% kept HN ALA 42 - HN GLN 16 16.667% * 8.0877% (0.37 0.09 0.02) = 8.088% kept HN VAL 13 - HN ASN 89 16.667% * 4.5845% (0.95 0.02 1.02) = 4.584% kept HN VAL 13 - HN GLN 16 16.667% * 3.3205% (0.69 0.02 0.02) = 3.320% kept HN ALA 42 - HN GLU- 12 16.667% * 0.3749% (0.08 0.02 0.02) = 0.375% Peak 639 (8.41, 8.42, 119.97 ppm): 1 diagonal assignment: HN HIS+ 14 - HN HIS+ 14 (0.75) kept Peak 640 (1.79, 8.42, 119.97 ppm): 14 chemical-shift based assignments, quality = 0.814, support = 0.281, residual support = 0.205: HB3 PRO 116 - HN HIS+ 14 7.143% * 36.5255% (0.87 0.44 0.53) = 36.526% kept HB2 LYS+ 117 - HN HIS+ 14 7.143% * 21.2585% (0.91 0.25 0.02) = 21.259% kept HB3 LYS+ 117 - HN HIS+ 14 7.143% * 20.3344% (0.87 0.25 0.02) = 20.334% kept HB3 GLU- 18 - HN HIS+ 14 7.143% * 6.1803% (0.50 0.13 0.02) = 6.180% kept HD3 LYS+ 117 - HN HIS+ 14 7.143% * 3.3988% (0.15 0.25 0.02) = 3.399% kept HB3 LYS+ 63 - HN HIS+ 14 7.143% * 1.7921% (0.94 0.02 0.02) = 1.792% kept HB3 HIS+ 7 - HN HIS+ 14 7.143% * 1.7605% (0.92 0.02 0.02) = 1.760% kept HB3 LYS+ 113 - HN HIS+ 14 7.143% * 1.7333% (0.91 0.02 0.02) = 1.733% kept HB3 LYS+ 108 - HN HIS+ 14 7.143% * 1.6990% (0.89 0.02 0.02) = 1.699% kept HG2 PRO 31 - HN HIS+ 14 7.143% * 1.6990% (0.89 0.02 0.02) = 1.699% kept HB3 LYS+ 44 - HN HIS+ 14 7.143% * 1.5002% (0.79 0.02 0.02) = 1.500% kept HB3 ARG+ 53 - HN HIS+ 14 7.143% * 0.9449% (0.50 0.02 0.02) = 0.945% HB2 GLU- 109 - HN HIS+ 14 7.143% * 0.6741% (0.35 0.02 0.02) = 0.674% HD3 LYS+ 72 - HN HIS+ 14 7.143% * 0.4994% (0.26 0.02 0.02) = 0.499% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 641 (4.39, 8.42, 119.97 ppm): 14 chemical-shift based assignments, quality = 0.419, support = 1.75, residual support = 3.0: * O HA HIS+ 14 - HN HIS+ 14 7.143% * 76.0964% (0.32 10.0 1.98 3.82) = 76.096% kept HA SER 88 - HN HIS+ 14 7.143% * 10.7204% (0.94 1.0 0.95 0.25) = 10.720% kept HA ASN 89 - HN HIS+ 14 7.143% * 9.9697% (0.70 1.0 1.18 0.59) = 9.970% kept HA2 GLY 26 - HN HIS+ 14 7.143% * 2.0892% (0.16 1.0 1.06 0.22) = 2.089% kept HA VAL 73 - HN HIS+ 14 7.143% * 0.2193% (0.91 1.0 0.02 0.02) = 0.219% HA TRP 51 - HN HIS+ 14 7.143% * 0.1957% (0.82 1.0 0.02 0.02) = 0.196% HA ASN 57 - HN HIS+ 14 7.143% * 0.1459% (0.61 1.0 0.02 0.02) = 0.146% HA ALA 37 - HN HIS+ 14 7.143% * 0.1368% (0.57 1.0 0.02 0.02) = 0.137% HA LYS+ 60 - HN HIS+ 14 7.143% * 0.1187% (0.50 1.0 0.02 0.02) = 0.119% HA THR 38 - HN HIS+ 14 7.143% * 0.0927% (0.39 1.0 0.02 0.02) = 0.093% HA THR 24 - HN HIS+ 14 7.143% * 0.0847% (0.35 1.0 0.02 0.02) = 0.085% HB3 HIS+ 4 - HN HIS+ 14 7.143% * 0.0563% (0.23 1.0 0.02 0.02) = 0.056% HA LYS+ 66 - HN HIS+ 14 7.143% * 0.0395% (0.16 1.0 0.02 0.02) = 0.040% HA CYS 121 - HN HIS+ 14 7.143% * 0.0348% (0.15 1.0 0.02 0.02) = 0.035% Peak 642 (4.79, 8.42, 119.97 ppm): 6 chemical-shift based assignments, quality = 0.755, support = 1.65, residual support = 3.8: HA ASN 15 - HN HIS+ 14 16.667% * 45.4315% (0.79 2.43 7.95) = 45.432% kept HA PRO 116 - HN HIS+ 14 16.667% * 24.5332% (0.82 1.26 0.53) = 24.533% kept HA ASP- 115 - HN HIS+ 14 16.667% * 14.2742% (0.68 0.88 0.16) = 14.274% kept HA LYS+ 113 - HN HIS+ 14 16.667% * 9.0199% (0.93 0.41 0.02) = 9.020% kept HA ASN 89 - HN HIS+ 14 16.667% * 6.6029% (0.23 1.18 0.59) = 6.603% kept HA GLU- 107 - HN HIS+ 14 16.667% * 0.1382% (0.29 0.02 0.02) = 0.138% Peak 643 (4.69, 8.42, 119.97 ppm): 6 chemical-shift based assignments, quality = 0.592, support = 0.761, residual support = 0.376: HA ASN 89 - HN HIS+ 14 16.667% * 50.6691% (0.33 1.18 0.59) = 50.669% kept HA GLN 16 - HN HIS+ 14 16.667% * 43.2076% (0.89 0.37 0.18) = 43.208% kept HA THR 61 - HN HIS+ 14 16.667% * 2.2515% (0.87 0.02 0.02) = 2.251% kept HA ASN 119 - HN HIS+ 14 16.667% * 2.0372% (0.79 0.02 0.02) = 2.037% kept HA TYR 83 - HN HIS+ 14 16.667% * 1.0027% (0.39 0.02 0.02) = 1.003% kept HA2 GLY 30 - HN HIS+ 14 16.667% * 0.8320% (0.32 0.02 0.02) = 0.832% Peak 644 (4.21, 8.42, 119.97 ppm): 17 chemical-shift based assignments, quality = 0.913, support = 1.82, residual support = 3.54: * O HB3 HIS+ 14 - HN HIS+ 14 5.882% * 91.8260% (0.93 10.0 1.91 3.82) = 91.826% kept HA ASN 89 - HN HIS+ 14 5.882% * 5.3868% (0.88 1.0 1.18 0.59) = 5.387% kept HA GLU- 12 - HN HIS+ 14 5.882% * 1.0634% (0.87 1.0 0.24 0.02) = 1.063% kept HA GLU- 18 - HN HIS+ 14 5.882% * 0.9779% (0.46 1.0 0.41 0.02) = 0.978% HA ALA 11 - HN HIS+ 14 5.882% * 0.0969% (0.94 1.0 0.02 0.02) = 0.097% HA GLU- 109 - HN HIS+ 14 5.882% * 0.0937% (0.91 1.0 0.02 0.02) = 0.094% HB3 SER 49 - HN HIS+ 14 5.882% * 0.0871% (0.84 1.0 0.02 0.02) = 0.087% HA LYS+ 110 - HN HIS+ 14 5.882% * 0.0843% (0.82 1.0 0.02 0.02) = 0.084% HA ALA 42 - HN HIS+ 14 5.882% * 0.0811% (0.79 1.0 0.02 0.02) = 0.081% HA ASP- 82 - HN HIS+ 14 5.882% * 0.0742% (0.72 1.0 0.02 0.02) = 0.074% HA GLU- 64 - HN HIS+ 14 5.882% * 0.0473% (0.46 1.0 0.02 0.02) = 0.047% HA SER 49 - HN HIS+ 14 5.882% * 0.0436% (0.42 1.0 0.02 0.02) = 0.044% HA GLU- 54 - HN HIS+ 14 5.882% * 0.0365% (0.35 1.0 0.02 0.02) = 0.036% HA VAL 73 - HN HIS+ 14 5.882% * 0.0296% (0.29 1.0 0.02 0.02) = 0.030% HA HIS+ 8 - HN HIS+ 14 5.882% * 0.0270% (0.26 1.0 0.02 0.02) = 0.027% HA MET 126 - HN HIS+ 14 5.882% * 0.0242% (0.23 1.0 0.02 0.02) = 0.024% HA LYS+ 44 - HN HIS+ 14 5.882% * 0.0204% (0.20 1.0 0.02 0.02) = 0.020% Peak 645 (3.83, 8.42, 119.97 ppm): 10 chemical-shift based assignments, quality = 0.914, support = 1.02, residual support = 0.836: * O HA VAL 13 - HN HIS+ 14 10.000% * 83.1950% (0.94 10.0 1.00 0.90) = 83.195% kept HA ASN 89 - HN HIS+ 14 10.000% * 8.6112% (0.82 1.0 1.18 0.59) = 8.611% kept HD3 PRO 116 - HN HIS+ 14 10.000% * 7.6193% (0.79 1.0 1.10 0.53) = 7.619% kept HA2 GLY 92 - HN HIS+ 14 10.000% * 0.1606% (0.91 1.0 0.02 0.02) = 0.161% HA ILE 48 - HN HIS+ 14 10.000% * 0.0972% (0.55 1.0 0.02 0.02) = 0.097% HA LYS+ 44 - HN HIS+ 14 10.000% * 0.0804% (0.45 1.0 0.02 0.02) = 0.080% HD3 PRO 86 - HN HIS+ 14 10.000% * 0.0684% (0.39 1.0 0.02 0.02) = 0.068% HA GLU- 45 - HN HIS+ 14 10.000% * 0.0684% (0.39 1.0 0.02 0.02) = 0.068% HB3 SER 41 - HN HIS+ 14 10.000% * 0.0624% (0.35 1.0 0.02 0.02) = 0.062% HD3 PRO 112 - HN HIS+ 14 10.000% * 0.0370% (0.21 1.0 0.02 0.02) = 0.037% Peak 646 (8.12, 8.42, 119.97 ppm): 6 chemical-shift based assignments, quality = 0.833, support = 0.572, residual support = 0.229: HN SER 88 - HN HIS+ 14 16.667% * 49.8786% (0.79 0.64 0.25) = 49.879% kept HN GLY 26 - HN HIS+ 14 16.667% * 47.3313% (0.91 0.53 0.22) = 47.331% kept HN GLY 2 - HN HIS+ 14 16.667% * 1.0493% (0.53 0.02 0.02) = 1.049% kept HN HIS+ 3 - HN HIS+ 14 16.667% * 1.0493% (0.53 0.02 0.02) = 1.049% kept HN SER 77 - HN HIS+ 14 16.667% * 0.3668% (0.19 0.02 0.02) = 0.367% HN VAL 122 - HN HIS+ 14 16.667% * 0.3246% (0.16 0.02 0.02) = 0.325% Peak 649 (8.06, 8.06, 119.92 ppm): 1 diagonal assignment: * HN ASN 15 - HN ASN 15 (0.93) kept Peak 650 (4.79, 8.06, 119.92 ppm): 6 chemical-shift based assignments, quality = 0.748, support = 2.57, residual support = 12.9: * O HA ASN 15 - HN ASN 15 16.667% * 96.4641% (0.75 10.0 2.66 13.41) = 96.464% kept HA PRO 116 - HN ASN 15 16.667% * 1.6889% (0.79 1.0 0.34 0.55) = 1.689% kept HA ASP- 115 - HN ASN 15 16.667% * 1.2326% (0.65 1.0 0.30 0.40) = 1.233% kept HA ASN 89 - HN ASN 15 16.667% * 0.4552% (0.23 1.0 0.30 0.02) = 0.455% HA LYS+ 113 - HN ASN 15 16.667% * 0.1181% (0.92 1.0 0.02 0.02) = 0.118% HA GLU- 107 - HN ASN 15 16.667% * 0.0411% (0.32 1.0 0.02 0.02) = 0.041% Peak 651 (2.01, 8.06, 119.92 ppm): 15 chemical-shift based assignments, quality = 0.887, support = 1.46, residual support = 7.15: * HB2 HIS+ 14 - HN ASN 15 6.667% * 90.0232% (0.94 1.62 7.95) = 90.023% kept HB VAL 105 - HN ASN 15 6.667% * 1.1117% (0.94 0.02 0.02) = 1.112% kept HG2 PRO 86 - HN ASN 15 6.667% * 1.1043% (0.93 0.02 0.02) = 1.104% kept HB2 GLU- 18 - HN ASN 15 6.667% * 1.0921% (0.92 0.02 0.02) = 1.092% kept HG2 GLU- 64 - HN ASN 15 6.667% * 1.0539% (0.89 0.02 0.02) = 1.054% kept HG2 PRO 116 - HN ASN 15 6.667% * 0.9306% (0.79 0.02 0.55) = 0.931% HB3 PRO 112 - HN ASN 15 6.667% * 0.8921% (0.75 0.02 0.02) = 0.892% HB2 PRO 112 - HN ASN 15 6.667% * 0.8090% (0.68 0.02 0.02) = 0.809% HB2 LYS+ 44 - HN ASN 15 6.667% * 0.6758% (0.57 0.02 0.02) = 0.676% HB3 PRO 31 - HN ASN 15 6.667% * 0.6758% (0.57 0.02 0.02) = 0.676% HB2 LYS+ 108 - HN ASN 15 6.667% * 0.4182% (0.35 0.02 0.02) = 0.418% HB3 GLU- 45 - HN ASN 15 6.667% * 0.4182% (0.35 0.02 0.02) = 0.418% HB3 GLU- 75 - HN ASN 15 6.667% * 0.3454% (0.29 0.02 0.02) = 0.345% HB3 GLU- 107 - HN ASN 15 6.667% * 0.2778% (0.23 0.02 0.02) = 0.278% HB3 LYS+ 110 - HN ASN 15 6.667% * 0.1719% (0.15 0.02 0.02) = 0.172% Peak 652 (4.21, 8.06, 119.92 ppm): 17 chemical-shift based assignments, quality = 0.875, support = 1.99, residual support = 6.64: * HB3 HIS+ 14 - HN ASN 15 5.882% * 83.5989% (0.94 2.34 7.95) = 83.599% kept HA ASN 89 - HN ASN 15 5.882% * 10.2390% (0.89 0.30 0.02) = 10.239% kept HA GLU- 109 - HN ASN 15 5.882% * 0.7144% (0.94 0.02 0.02) = 0.714% HA ALA 11 - HN ASN 15 5.882% * 0.6910% (0.91 0.02 0.02) = 0.691% HA ASP- 82 - HN ASN 15 5.882% * 0.6211% (0.82 0.02 0.02) = 0.621% HA GLU- 12 - HN ASN 15 5.882% * 0.5981% (0.79 0.02 0.02) = 0.598% HB3 SER 49 - HN ASN 15 5.882% * 0.5733% (0.75 0.02 0.02) = 0.573% HA LYS+ 110 - HN ASN 15 5.882% * 0.5472% (0.72 0.02 0.02) = 0.547% HA ALA 42 - HN ASN 15 5.882% * 0.5199% (0.68 0.02 0.02) = 0.520% HA GLU- 64 - HN ASN 15 5.882% * 0.4343% (0.57 0.02 0.02) = 0.434% HA GLU- 18 - HN ASN 15 5.882% * 0.2687% (0.35 0.02 0.02) = 0.269% HA MET 126 - HN ASN 15 5.882% * 0.2442% (0.32 0.02 0.02) = 0.244% HA SER 49 - HN ASN 15 5.882% * 0.2442% (0.32 0.02 0.02) = 0.244% HA VAL 73 - HN ASN 15 5.882% * 0.2081% (0.27 0.02 0.02) = 0.208% HA GLU- 54 - HN ASN 15 5.882% * 0.1991% (0.26 0.02 0.02) = 0.199% HA LYS+ 44 - HN ASN 15 5.882% * 0.1567% (0.21 0.02 0.02) = 0.157% HA HIS+ 8 - HN ASN 15 5.882% * 0.1417% (0.19 0.02 0.02) = 0.142% Peak 653 (4.44, 8.06, 119.92 ppm): 13 chemical-shift based assignments, quality = 0.297, support = 2.1, residual support = 7.55: * O HA HIS+ 14 - HN ASN 15 7.692% * 95.0152% (0.29 10.0 2.20 7.95) = 95.015% kept HA ASN 89 - HN ASN 15 7.692% * 3.2208% (0.65 1.0 0.30 0.02) = 3.221% kept HB THR 24 - HN ASN 15 7.692% * 0.3017% (0.92 1.0 0.02 0.49) = 0.302% HA LYS+ 111 - HN ASN 15 7.692% * 0.2971% (0.91 1.0 0.02 0.02) = 0.297% HA VAL 73 - HN ASN 15 7.692% * 0.2432% (0.74 1.0 0.02 0.02) = 0.243% HA VAL 99 - HN ASN 15 7.692% * 0.1743% (0.53 1.0 0.02 0.02) = 0.174% HA CYS 121 - HN ASN 15 7.692% * 0.1743% (0.53 1.0 0.02 0.02) = 0.174% HA LYS+ 66 - HN ASN 15 7.692% * 0.1620% (0.49 1.0 0.02 0.02) = 0.162% HA GLU- 50 - HN ASN 15 7.692% * 0.1266% (0.39 1.0 0.02 0.02) = 0.127% HA THR 24 - HN ASN 15 7.692% * 0.0856% (0.26 1.0 0.02 0.49) = 0.086% HA ILE 101 - HN ASN 15 7.692% * 0.0768% (0.23 1.0 0.02 0.02) = 0.077% HA ILE 100 - HN ASN 15 7.692% * 0.0685% (0.21 1.0 0.02 0.02) = 0.069% HA PRO 86 - HN ASN 15 7.692% * 0.0539% (0.16 1.0 0.02 0.02) = 0.054% 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 = 0.832, support = 1.55, residual support = 7.18: * QG1 VAL 80 - HN VAL 80 7.143% * 67.1130% (0.98 1.96 10.56) = 67.113% kept HG LEU 74 - HN VAL 80 7.143% * 20.3151% (0.52 1.12 0.45) = 20.315% kept QG1 VAL 122 - HN VAL 80 7.143% * 3.6429% (0.95 0.11 0.02) = 3.643% kept QG1 VAL 40 - HN VAL 80 7.143% * 3.0584% (0.78 0.11 0.02) = 3.058% kept QG2 VAL 122 - HN VAL 80 7.143% * 1.9860% (0.52 0.11 0.02) = 1.986% kept QG2 VAL 47 - HN VAL 80 7.143% * 0.5932% (0.85 0.02 0.02) = 0.593% QG2 VAL 125 - HN VAL 80 7.143% * 0.5712% (0.82 0.02 0.02) = 0.571% QG2 VAL 105 - HN VAL 80 7.143% * 0.5476% (0.78 0.02 0.02) = 0.548% QG1 VAL 47 - HN VAL 80 7.143% * 0.5227% (0.75 0.02 0.02) = 0.523% QD1 LEU 67 - HN VAL 80 7.143% * 0.4698% (0.67 0.02 0.02) = 0.470% QG2 VAL 87 - HN VAL 80 7.143% * 0.4424% (0.63 0.02 0.02) = 0.442% HG13 ILE 68 - HN VAL 80 7.143% * 0.4148% (0.59 0.02 0.02) = 0.415% QG2 ILE 100 - HN VAL 80 7.143% * 0.1705% (0.24 0.02 0.02) = 0.171% QD1 LEU 90 - HN VAL 80 7.143% * 0.1523% (0.22 0.02 0.02) = 0.152% 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): 8 chemical-shift based assignments, quality = 0.968, support = 2.86, residual support = 10.5: * O HB VAL 80 - HN VAL 80 12.500% * 99.6554% (0.97 10.0 2.87 10.56) = 99.655% kept HG2 GLU- 56 - HN VAL 80 12.500% * 0.0872% (0.85 1.0 0.02 0.02) = 0.087% HG3 GLU- 10 - HN VAL 80 12.500% * 0.0840% (0.82 1.0 0.02 0.02) = 0.084% HG3 GLU- 75 - HN VAL 80 12.500% * 0.0569% (0.55 1.0 0.02 0.02) = 0.057% HA1 GLY 58 - HN VAL 80 12.500% * 0.0416% (0.41 1.0 0.02 0.02) = 0.042% HB3 PRO 52 - HN VAL 80 12.500% * 0.0343% (0.33 1.0 0.02 0.02) = 0.034% HG3 MET 118 - HN VAL 80 12.500% * 0.0251% (0.24 1.0 0.02 0.02) = 0.025% HG3 GLU- 18 - HN VAL 80 12.500% * 0.0155% (0.15 1.0 0.02 0.02) = 0.016% Peak 660 (4.49, 8.59, 119.88 ppm): 10 chemical-shift based assignments, quality = 0.79, support = 0.65, residual support = 0.102: HA SER 77 - HN VAL 80 10.000% * 27.1134% (0.95 0.85 0.19) = 27.113% kept HA ASN 76 - HN VAL 80 10.000% * 18.5092% (0.95 0.58 0.13) = 18.509% kept HA VAL 73 - HN VAL 80 10.000% * 15.5208% (0.45 1.01 0.12) = 15.521% kept HA CYS 123 - HN VAL 80 10.000% * 13.8959% (0.98 0.42 0.02) = 13.896% kept HA ASN 89 - HN VAL 80 10.000% * 9.3163% (0.60 0.46 0.02) = 9.316% kept HA LYS+ 55 - HN VAL 80 10.000% * 8.8048% (0.63 0.41 0.02) = 8.805% kept HB THR 46 - HN VAL 80 10.000% * 6.4100% (0.63 0.30 0.02) = 6.410% kept HA ALA 103 - HN VAL 80 10.000% * 0.1656% (0.24 0.02 0.02) = 0.166% HA LYS+ 32 - HN VAL 80 10.000% * 0.1478% (0.22 0.02 0.02) = 0.148% HA PRO 86 - HN VAL 80 10.000% * 0.1163% (0.17 0.02 0.02) = 0.116% Peak 661 (3.43, 8.59, 119.88 ppm): 7 chemical-shift based assignments, quality = 0.484, support = 1.93, residual support = 8.01: O HA VAL 80 - HN VAL 80 14.286% * 72.8914% (0.33 10.0 2.30 10.56) = 72.891% kept * HB THR 79 - HN VAL 80 14.286% * 13.8020% (0.98 1.0 1.29 1.99) = 13.802% kept HA THR 39 - HN VAL 80 14.286% * 7.0118% (0.90 1.0 0.71 0.19) = 7.012% kept HA VAL 62 - HN VAL 80 14.286% * 4.2522% (0.82 1.0 0.48 0.61) = 4.252% kept HA ASN 89 - HN VAL 80 14.286% * 1.7921% (0.36 1.0 0.46 0.02) = 1.792% kept HB2 SER 69 - HN VAL 80 14.286% * 0.2132% (0.98 1.0 0.02 0.02) = 0.213% HA ILE 48 - HN VAL 80 14.286% * 0.0373% (0.17 1.0 0.02 0.02) = 0.037% Peak 662 (1.09, 8.59, 119.88 ppm): 4 chemical-shift based assignments, quality = 0.894, support = 1.36, residual support = 1.23: * QG2 THR 79 - HN VAL 80 25.000% * 52.4196% (0.93 1.70 1.99) = 52.420% kept HG LEU 74 - HN VAL 80 25.000% * 35.9947% (0.96 1.12 0.45) = 35.995% kept QG2 THR 61 - HN VAL 80 25.000% * 11.0399% (0.55 0.60 0.27) = 11.040% kept QG2 THR 95 - HN VAL 80 25.000% * 0.5458% (0.82 0.02 0.02) = 0.546% Peak 663 (8.24, 8.59, 119.88 ppm): 14 chemical-shift based assignments, quality = 0.962, support = 3.24, residual support = 7.42: * T HN LYS+ 81 - HN VAL 80 7.143% * 98.1276% (0.98 10.00 3.30 7.56) = 98.128% kept HN VAL 94 - HN VAL 80 7.143% * 0.6350% (0.37 1.00 0.34 0.02) = 0.635% T HN THR 106 - HN VAL 80 7.143% * 0.5952% (0.59 10.00 0.02 0.02) = 0.595% HN LEU 67 - HN VAL 80 7.143% * 0.0981% (0.98 1.00 0.02 0.02) = 0.098% HN MET 118 - HN VAL 80 7.143% * 0.0979% (0.98 1.00 0.02 0.02) = 0.098% HN GLY 58 - HN VAL 80 7.143% * 0.0962% (0.96 1.00 0.02 0.02) = 0.096% HN GLU- 12 - HN VAL 80 7.143% * 0.0962% (0.96 1.00 0.02 0.02) = 0.096% HN SER 49 - HN VAL 80 7.143% * 0.0880% (0.88 1.00 0.02 0.02) = 0.088% HN ASP- 115 - HN VAL 80 7.143% * 0.0516% (0.52 1.00 0.02 0.02) = 0.052% HN VAL 105 - HN VAL 80 7.143% * 0.0335% (0.33 1.00 0.02 0.02) = 0.033% HN GLN 16 - HN VAL 80 7.143% * 0.0245% (0.24 1.00 0.02 0.02) = 0.024% HN ALA 11 - HN VAL 80 7.143% * 0.0218% (0.22 1.00 0.02 0.02) = 0.022% HN GLU- 45 - HN VAL 80 7.143% * 0.0172% (0.17 1.00 0.02 0.02) = 0.017% HN HIS+ 7 - HN VAL 80 7.143% * 0.0172% (0.17 1.00 0.02 0.02) = 0.017% 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): 7 chemical-shift based assignments, quality = 0.453, support = 0.61, residual support = 0.109: HG12 ILE 19 - HN SER 69 14.286% * 52.9416% (0.51 0.77 0.13) = 52.942% kept QG2 VAL 94 - HN SER 69 14.286% * 25.8175% (0.48 0.40 0.12) = 25.817% kept HG LEU 67 - HN SER 69 14.286% * 12.5999% (0.13 0.72 0.02) = 12.600% kept QD1 ILE 19 - HN SER 69 14.286% * 6.0299% (0.42 0.11 0.13) = 6.030% kept QG1 VAL 62 - HN SER 69 14.286% * 1.9954% (0.75 0.02 0.02) = 1.995% kept HB2 LEU 9 - HN SER 69 14.286% * 0.3079% (0.12 0.02 0.02) = 0.308% HG2 PRO 59 - HN SER 69 14.286% * 0.3079% (0.12 0.02 0.02) = 0.308% Reference assignment not found: QG1 VAL 62 - HN VAL 62 Peak 667 (3.70, 8.80, 119.98 ppm): 6 chemical-shift based assignments, quality = 0.63, support = 0.611, residual support = 0.749: HA ASN 89 - HN SER 69 16.667% * 49.1317% (0.54 0.74 0.65) = 49.132% kept HA ILE 48 - HN SER 69 16.667% * 47.2304% (0.74 0.52 0.91) = 47.230% kept HB2 HIS+ 4 - HN SER 69 16.667% * 1.8251% (0.75 0.02 0.02) = 1.825% kept HD2 PRO 52 - HN SER 69 16.667% * 0.8884% (0.36 0.02 0.02) = 0.888% HA LYS+ 81 - HN SER 69 16.667% * 0.5633% (0.23 0.02 0.02) = 0.563% HA SER 27 - HN SER 69 16.667% * 0.3612% (0.15 0.02 0.02) = 0.361% Peak 668 (0.91, 8.80, 119.98 ppm): 12 chemical-shift based assignments, quality = 0.606, support = 2.2, residual support = 2.54: * HG13 ILE 68 - HN SER 69 8.333% * 54.0026% (0.67 3.21 4.08) = 54.003% kept HG LEU 74 - HN SER 69 8.333% * 18.5645% (0.44 1.67 1.80) = 18.565% kept QD1 LEU 67 - HN SER 69 8.333% * 10.9458% (0.62 0.70 0.02) = 10.946% kept QG2 VAL 73 - HN SER 69 8.333% * 9.9407% (0.65 0.61 0.02) = 9.941% kept QG1 VAL 47 - HN SER 69 8.333% * 5.1782% (0.57 0.36 0.02) = 5.178% kept QG2 VAL 87 - HN SER 69 8.333% * 0.3258% (0.65 0.02 0.02) = 0.326% QG2 VAL 99 - HN SER 69 8.333% * 0.3138% (0.62 0.02 0.02) = 0.314% QG2 VAL 105 - HN SER 69 8.333% * 0.2728% (0.54 0.02 0.02) = 0.273% QD1 LEU 17 - HN SER 69 8.333% * 0.1281% (0.25 0.02 0.02) = 0.128% QG1 VAL 80 - HN SER 69 8.333% * 0.1281% (0.25 0.02 0.02) = 0.128% QG1 VAL 105 - HN SER 69 8.333% * 0.1159% (0.23 0.02 0.02) = 0.116% QG1 VAL 122 - HN SER 69 8.333% * 0.0836% (0.17 0.02 0.02) = 0.084% Peak 669 (7.95, 8.80, 119.98 ppm): 1 chemical-shift based assignment, quality = 0.72, support = 0.472, residual support = 0.873: T HN LYS+ 72 - HN SER 69 100.000% *100.0000% (0.72 10.00 0.47 0.87) = 100.000% kept Peak 670 (3.50, 8.80, 119.98 ppm): 4 chemical-shift based assignments, quality = 0.723, support = 1.11, residual support = 1.15: * O HB3 SER 69 - HN SER 69 25.000% * 90.9312% (0.75 10.0 1.15 1.23) = 90.931% kept HA1 GLY 30 - HN SER 69 25.000% * 4.8231% (0.65 1.0 0.70 0.02) = 4.823% kept HA ASN 89 - HN SER 69 25.000% * 2.6385% (0.34 1.0 0.74 0.65) = 2.639% kept HA ILE 48 - HN SER 69 25.000% * 1.6071% (0.29 1.0 0.52 0.91) = 1.607% kept Peak 671 (0.45, 8.80, 119.98 ppm): 3 chemical-shift based assignments, quality = 0.744, support = 1.72, residual support = 3.06: * QG2 ILE 68 - HN SER 69 33.333% * 55.7747% (0.75 1.90 4.08) = 55.775% kept QD2 LEU 74 - HN SER 69 33.333% * 43.9837% (0.74 1.50 1.80) = 43.984% kept QD2 LEU 43 - HN SER 69 33.333% * 0.2416% (0.31 0.02 0.10) = 0.242% 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): 14 chemical-shift based assignments, quality = 0.75, support = 3.48, residual support = 16.5: * O HB3 LYS+ 63 - HN LYS+ 63 7.143% * 94.0131% (0.76 10.0 3.68 17.58) = 94.013% kept HB3 PRO 116 - HN LYS+ 63 7.143% * 2.0151% (0.92 1.0 0.35 0.02) = 2.015% kept HB2 LYS+ 117 - HN LYS+ 63 7.143% * 1.7315% (0.56 1.0 0.50 0.02) = 1.731% kept HB3 LYS+ 117 - HN LYS+ 63 7.143% * 1.4987% (0.48 1.0 0.50 0.02) = 1.499% kept HB3 ARG+ 53 - HN LYS+ 63 7.143% * 0.1164% (0.94 1.0 0.02 0.02) = 0.116% HB3 GLU- 18 - HN LYS+ 63 7.143% * 0.1164% (0.94 1.0 0.02 0.02) = 0.116% HG2 PRO 31 - HN LYS+ 63 7.143% * 0.1103% (0.89 1.0 0.02 0.02) = 0.110% HB3 HIS+ 7 - HN LYS+ 63 7.143% * 0.0746% (0.60 1.0 0.02 0.02) = 0.075% HB3 LYS+ 113 - HN LYS+ 63 7.143% * 0.0696% (0.56 1.0 0.02 0.02) = 0.070% HB3 LYS+ 108 - HN LYS+ 63 7.143% * 0.0647% (0.52 1.0 0.02 0.02) = 0.065% HB2 ARG+ 84 - HN LYS+ 63 7.143% * 0.0552% (0.45 1.0 0.02 0.02) = 0.055% HB3 LYS+ 44 - HN LYS+ 63 7.143% * 0.0462% (0.37 1.0 0.02 0.02) = 0.046% HB2 HIS+ 7 - HN LYS+ 63 7.143% * 0.0462% (0.37 1.0 0.02 0.02) = 0.046% HB VAL 94 - HN LYS+ 63 7.143% * 0.0420% (0.34 1.0 0.02 0.02) = 0.042% Peak 676 (4.08, 7.83, 119.35 ppm): 7 chemical-shift based assignments, quality = 0.985, support = 3.34, residual support = 16.6: * O HA LYS+ 63 - HN LYS+ 63 14.286% * 94.4581% (1.00 10.0 3.48 17.58) = 94.458% kept HA LYS+ 44 - HN LYS+ 63 14.286% * 3.8778% (0.78 1.0 1.05 0.02) = 3.878% kept HA ASN 89 - HN LYS+ 63 14.286% * 1.5200% (0.99 1.0 0.32 0.02) = 1.520% kept HB2 SER 49 - HN LYS+ 63 14.286% * 0.0686% (0.72 1.0 0.02 0.02) = 0.069% HA ALA 70 - HN LYS+ 63 14.286% * 0.0388% (0.41 1.0 0.02 0.02) = 0.039% HB3 SER 77 - HN LYS+ 63 14.286% * 0.0221% (0.23 1.0 0.02 0.02) = 0.022% HA VAL 105 - HN LYS+ 63 14.286% * 0.0146% (0.15 1.0 0.02 0.02) = 0.015% Peak 677 (7.39, 7.83, 119.35 ppm): 3 chemical-shift based assignments, quality = 0.918, support = 2.52, residual support = 7.33: * T HN GLU- 64 - HN LYS+ 63 33.333% * 99.9516% (0.92 10.00 2.52 7.34) = 99.952% kept HE ARG+ 53 - HN LYS+ 63 33.333% * 0.0270% (0.25 1.00 0.02 0.02) = 0.027% HE22 GLN 102 - HN LYS+ 63 33.333% * 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 = 0.917, support = 3.14, residual support = 14.3: QG2 VAL 62 - HN LYS+ 63 10.000% * 44.2334% (0.94 3.87 16.85) = 44.233% kept * HG3 LYS+ 63 - HN LYS+ 63 10.000% * 37.6101% (1.00 3.11 17.58) = 37.610% kept HG LEU 74 - HN LYS+ 63 10.000% * 14.6417% (0.70 1.73 1.40) = 14.642% kept HG12 ILE 29 - HN LYS+ 63 10.000% * 2.6587% (0.92 0.24 0.02) = 2.659% kept HG12 ILE 68 - HN LYS+ 63 10.000% * 0.2368% (0.98 0.02 0.02) = 0.237% QG2 ILE 29 - HN LYS+ 63 10.000% * 0.2368% (0.98 0.02 0.02) = 0.237% QG1 VAL 105 - HN LYS+ 63 10.000% * 0.1563% (0.64 0.02 0.02) = 0.156% QD1 LEU 17 - HN LYS+ 63 10.000% * 0.1465% (0.60 0.02 0.02) = 0.147% QG2 VAL 99 - HN LYS+ 63 10.000% * 0.0423% (0.17 0.02 0.02) = 0.042% QG2 VAL 73 - HN LYS+ 63 10.000% * 0.0373% (0.15 0.02 0.02) = 0.037% Peak 679 (4.36, 7.83, 119.35 ppm): 15 chemical-shift based assignments, quality = 0.58, support = 1.7, residual support = 1.65: HB THR 61 - HN LYS+ 63 6.667% * 60.4850% (0.60 2.51 2.68) = 60.485% kept HA LYS+ 60 - HN LYS+ 63 6.667% * 15.9038% (0.45 0.89 0.18) = 15.904% kept HA ASN 89 - HN LYS+ 63 6.667% * 10.1623% (0.79 0.32 0.02) = 10.162% kept HA VAL 73 - HN LYS+ 63 6.667% * 5.7872% (0.99 0.15 0.02) = 5.787% kept HA ASN 57 - HN LYS+ 63 6.667% * 1.9595% (0.34 0.14 0.02) = 1.960% kept HA1 GLY 26 - HN LYS+ 63 6.667% * 0.7930% (0.99 0.02 0.02) = 0.793% HA MET 1 - HN LYS+ 63 6.667% * 0.7878% (0.99 0.02 0.02) = 0.788% HA HIS+ 3 - HN LYS+ 63 6.667% * 0.7670% (0.96 0.02 0.02) = 0.767% HA LYS+ 117 - HN LYS+ 63 6.667% * 0.7518% (0.94 0.02 0.02) = 0.752% HA2 GLY 26 - HN LYS+ 63 6.667% * 0.6894% (0.86 0.02 0.02) = 0.689% HB3 HIS+ 4 - HN LYS+ 63 6.667% * 0.6074% (0.76 0.02 0.02) = 0.607% HA THR 38 - HN LYS+ 63 6.667% * 0.4500% (0.56 0.02 0.02) = 0.450% HA VAL 94 - HN LYS+ 63 6.667% * 0.4182% (0.52 0.02 0.02) = 0.418% HA ALA 37 - HN LYS+ 63 6.667% * 0.2983% (0.37 0.02 0.02) = 0.298% HA TRP 51 - HN LYS+ 63 6.667% * 0.1392% (0.17 0.02 0.02) = 0.139% Peak 680 (2.04, 7.83, 119.35 ppm): 17 chemical-shift based assignments, quality = 0.812, support = 2.63, residual support = 10.7: * HB VAL 62 - HN LYS+ 63 5.882% * 57.8842% (0.94 3.82 16.85) = 57.884% kept HB3 GLU- 45 - HN LYS+ 63 5.882% * 14.5452% (0.83 1.09 2.09) = 14.545% kept HB2 GLU- 45 - HN LYS+ 63 5.882% * 11.6114% (0.72 1.00 2.09) = 11.611% kept HB2 LYS+ 44 - HN LYS+ 63 5.882% * 6.4971% (0.60 0.67 0.02) = 6.497% kept HG2 GLU- 64 - HN LYS+ 63 5.882% * 6.1118% (0.25 1.53 7.34) = 6.112% kept HB3 GLU- 75 - HN LYS+ 63 5.882% * 1.4114% (0.60 0.15 0.02) = 1.411% kept HB3 LYS+ 110 - HN LYS+ 63 5.882% * 0.3194% (0.99 0.02 0.02) = 0.319% HG3 PRO 86 - HN LYS+ 63 5.882% * 0.3028% (0.94 0.02 0.02) = 0.303% HB3 GLU- 107 - HN LYS+ 63 5.882% * 0.3028% (0.94 0.02 0.02) = 0.303% HB3 GLU- 10 - HN LYS+ 63 5.882% * 0.2563% (0.80 0.02 0.02) = 0.256% HB3 PRO 31 - HN LYS+ 63 5.882% * 0.1941% (0.60 0.02 0.02) = 0.194% HB2 PRO 112 - HN LYS+ 63 5.882% * 0.1558% (0.48 0.02 0.02) = 0.156% HB3 PRO 112 - HN LYS+ 63 5.882% * 0.1316% (0.41 0.02 0.02) = 0.132% HG2 PRO 116 - HN LYS+ 63 5.882% * 0.1201% (0.37 0.02 0.02) = 0.120% HB2 GLU- 18 - HN LYS+ 63 5.882% * 0.0633% (0.20 0.02 0.02) = 0.063% HB VAL 105 - HN LYS+ 63 5.882% * 0.0494% (0.15 0.02 0.02) = 0.049% HG3 ARG+ 53 - HN LYS+ 63 5.882% * 0.0433% (0.13 0.02 0.02) = 0.043% Peak 681 (1.44, 7.83, 119.35 ppm): 10 chemical-shift based assignments, quality = 0.705, support = 0.908, residual support = 0.544: HB3 LYS+ 60 - HN LYS+ 63 10.000% * 38.8351% (1.00 0.68 0.18) = 38.835% kept HG LEU 74 - HN LYS+ 63 10.000% * 33.5872% (0.34 1.73 1.40) = 33.587% kept HD3 LYS+ 44 - HN LYS+ 63 10.000% * 12.4726% (0.60 0.36 0.02) = 12.473% kept HG3 LYS+ 55 - HN LYS+ 63 10.000% * 7.5963% (0.92 0.14 0.02) = 7.596% kept HG LEU 90 - HN LYS+ 63 10.000% * 5.0909% (0.99 0.09 0.02) = 5.091% kept HD3 LYS+ 113 - HN LYS+ 63 10.000% * 1.0211% (0.89 0.02 0.02) = 1.021% kept HG3 LYS+ 108 - HN LYS+ 63 10.000% * 0.6905% (0.60 0.02 0.02) = 0.691% QG2 THR 38 - HN LYS+ 63 10.000% * 0.2535% (0.22 0.02 0.02) = 0.253% QB ALA 37 - HN LYS+ 63 10.000% * 0.2535% (0.22 0.02 0.02) = 0.253% QB ALA 42 - HN LYS+ 63 10.000% * 0.1994% (0.17 0.02 0.02) = 0.199% Peak 682 (8.74, 7.83, 119.35 ppm): 4 chemical-shift based assignments, quality = 0.74, support = 3.51, residual support = 13.9: * T HN VAL 62 - HN LYS+ 63 25.000% * 82.7599% (0.72 10.00 4.17 16.85) = 82.760% kept T HN GLU- 56 - HN LYS+ 63 25.000% * 17.0812% (0.83 10.00 0.36 0.02) = 17.081% kept HN ILE 101 - HN LYS+ 63 25.000% * 0.0989% (0.86 1.00 0.02 0.02) = 0.099% HN PHE 34 - HN LYS+ 63 25.000% * 0.0600% (0.52 1.00 0.02 0.02) = 0.060% Peak 683 (3.43, 7.83, 119.35 ppm): 8 chemical-shift based assignments, quality = 0.68, support = 3.56, residual support = 16.4: O HA VAL 62 - HN LYS+ 63 12.500% * 97.0666% (0.68 10.0 3.66 16.85) = 97.067% kept HB THR 79 - HN LYS+ 63 12.500% * 1.7590% (0.96 1.0 0.26 0.02) = 1.759% kept HA ASN 89 - HN LYS+ 63 12.500% * 0.8219% (0.36 1.0 0.32 0.02) = 0.822% HA THR 39 - HN LYS+ 63 12.500% * 0.1401% (0.99 1.0 0.02 0.02) = 0.140% HB2 SER 69 - HN LYS+ 63 12.500% * 0.1385% (0.98 1.0 0.02 0.02) = 0.139% HA VAL 80 - HN LYS+ 63 12.500% * 0.0315% (0.22 1.0 0.02 0.02) = 0.031% HA ILE 48 - HN LYS+ 63 12.500% * 0.0233% (0.16 1.0 0.02 0.02) = 0.023% HB3 TRP 51 - HN LYS+ 63 12.500% * 0.0191% (0.13 1.0 0.02 0.02) = 0.019% 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 = 43.1: QD PHE 34 - HN PHE 34 14.286% * 54.2516% (0.90 4.65 45.31) = 54.252% kept QE PHE 34 - HN PHE 34 14.286% * 25.4573% (0.45 4.36 45.31) = 25.457% kept HZ PHE 34 - HN PHE 34 14.286% * 15.4476% (0.45 2.65 45.31) = 15.448% kept HN VAL 47 - HN PHE 34 14.286% * 2.5494% (0.94 0.21 0.02) = 2.549% kept HN ILE 48 - HN PHE 34 14.286% * 1.9263% (0.49 0.30 0.56) = 1.926% kept HN ARG+ 84 - HN PHE 34 14.286% * 0.2512% (0.96 0.02 0.02) = 0.251% HZ2 TRP 51 - HN PHE 34 14.286% * 0.1167% (0.45 0.02 0.02) = 0.117% Peak 686 (4.91, 8.76, 119.28 ppm): 5 chemical-shift based assignments, quality = 0.943, support = 3.37, residual support = 9.69: * O HA ALA 33 - HN PHE 34 20.000% * 99.7798% (0.94 10.0 3.38 9.71) = 99.780% kept HA GLN 102 - HN PHE 34 20.000% * 0.0998% (0.94 1.0 0.02 0.02) = 0.100% HA HIS+ 98 - HN PHE 34 20.000% * 0.0881% (0.83 1.0 0.02 0.02) = 0.088% HA SER 69 - HN PHE 34 20.000% * 0.0163% (0.15 1.0 0.02 0.02) = 0.016% HA ASN 89 - HN PHE 34 20.000% * 0.0160% (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 = 3.98, residual support = 45.2: * O HB2 PHE 34 - HN PHE 34 20.000% * 99.7286% (1.00 10.0 4.00 45.31) = 99.729% kept HA1 GLY 58 - HN PHE 34 20.000% * 0.0984% (0.99 1.0 0.02 0.11) = 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 2.44) = 0.041% Peak 688 (1.13, 8.76, 119.28 ppm): 6 chemical-shift based assignments, quality = 0.979, support = 2.62, residual support = 10.3: * QB ALA 33 - HN PHE 34 16.667% * 53.0438% (0.99 3.65 9.71) = 53.044% kept HG3 LYS+ 32 - HN PHE 34 16.667% * 27.1362% (0.99 1.87 18.96) = 27.136% kept HG LEU 74 - HN PHE 34 16.667% * 15.7614% (1.00 1.07 0.30) = 15.761% kept QG2 THR 96 - HN PHE 34 16.667% * 3.6927% (0.76 0.33 0.02) = 3.693% kept HD3 LYS+ 111 - HN PHE 34 16.667% * 0.2928% (1.00 0.02 0.02) = 0.293% QG2 THR 61 - HN PHE 34 16.667% * 0.0732% (0.25 0.02 0.02) = 0.073% Peak 689 (5.01, 8.76, 119.28 ppm): 2 chemical-shift based assignments, quality = 0.998, support = 3.79, residual support = 45.3: * O HA PHE 34 - HN PHE 34 50.000% * 99.9236% (1.00 10.0 3.80 45.31) = 99.924% kept HA ILE 68 - HN PHE 34 50.000% * 0.0764% (0.76 1.0 0.02 0.02) = 0.076% Peak 690 (3.15, 8.76, 119.28 ppm): 10 chemical-shift based assignments, quality = 0.661, support = 3.81, residual support = 38.5: O HB3 PHE 34 - HN PHE 34 10.000% * 84.8522% (0.61 10.0 4.12 45.31) = 84.852% kept * HD3 PRO 35 - HN PHE 34 10.000% * 14.6774% (1.00 1.0 2.10 0.49) = 14.677% kept HD2 ARG+ 53 - HN PHE 34 10.000% * 0.1350% (0.96 1.0 0.02 0.02) = 0.135% HB3 HIS+ 98 - HN PHE 34 10.000% * 0.1069% (0.76 1.0 0.02 0.02) = 0.107% HD3 ARG+ 84 - HN PHE 34 10.000% * 0.0432% (0.31 1.0 0.02 0.02) = 0.043% HE3 LYS+ 117 - HN PHE 34 10.000% * 0.0432% (0.31 1.0 0.02 0.02) = 0.043% HE3 LYS+ 108 - HN PHE 34 10.000% * 0.0432% (0.31 1.0 0.02 0.02) = 0.043% HE3 LYS+ 72 - HN PHE 34 10.000% * 0.0389% (0.28 1.0 0.02 0.02) = 0.039% HA1 GLY 58 - HN PHE 34 10.000% * 0.0324% (0.23 1.0 0.02 0.11) = 0.032% HE3 LYS+ 81 - HN PHE 34 10.000% * 0.0277% (0.20 1.0 0.02 0.02) = 0.028% Peak 691 (8.98, 8.76, 119.28 ppm): 2 chemical-shift based assignments, quality = 0.718, support = 1.9, residual support = 1.61: T HN LEU 17 - HN PHE 34 50.000% * 96.2442% (0.73 10.00 1.94 1.67) = 96.244% kept HN MET 97 - HN PHE 34 50.000% * 3.7558% (0.53 1.00 1.04 0.23) = 3.756% kept Peak 692 (4.73, 8.18, 119.35 ppm): 14 chemical-shift based assignments, quality = 0.215, support = 0.937, residual support = 1.24: * O HA MET 118 - HN ASN 119 7.143% * 89.4721% (0.23 10.0 1.03 1.39) = 89.472% kept HA ASN 89 - HN ASN 119 7.143% * 3.3717% (0.28 1.0 0.31 0.02) = 3.372% kept HA HIS+ 5 - HN LYS+ 120 7.143% * 1.5138% (0.25 1.0 0.16 0.02) = 1.514% kept HA VAL 40 - HN ASN 119 7.143% * 0.8244% (0.18 1.0 0.12 0.02) = 0.824% HA PRO 31 - HN LYS+ 120 7.143% * 0.7525% (0.98 1.0 0.02 0.02) = 0.753% HA PRO 31 - HN ASN 119 7.143% * 0.6809% (0.89 1.0 0.02 0.02) = 0.681% HA VAL 40 - HN LYS+ 120 7.143% * 0.5987% (0.20 1.0 0.08 0.02) = 0.599% HA2 GLY 30 - HN LYS+ 120 7.143% * 0.5867% (0.76 1.0 0.02 0.02) = 0.587% HA HIS+ 7 - HN LYS+ 120 7.143% * 0.5575% (0.73 1.0 0.02 0.02) = 0.557% HA2 GLY 30 - HN ASN 119 7.143% * 0.5309% (0.69 1.0 0.02 0.02) = 0.531% HA HIS+ 7 - HN ASN 119 7.143% * 0.5044% (0.66 1.0 0.02 0.02) = 0.504% HA ASN 89 - HN LYS+ 120 7.143% * 0.2417% (0.31 1.0 0.02 0.02) = 0.242% HA MET 118 - HN LYS+ 120 7.143% * 0.1914% (0.25 1.0 0.02 0.02) = 0.191% HA HIS+ 5 - HN ASN 119 7.143% * 0.1732% (0.23 1.0 0.02 0.02) = 0.173% Peak 693 (1.71, 8.18, 119.35 ppm): 10 chemical-shift based assignments, quality = 0.709, support = 0.427, residual support = 0.391: HB2 GLN 16 - HN LYS+ 120 10.000% * 42.1514% (0.80 0.50 0.15) = 42.151% kept HB2 GLN 16 - HN ASN 119 10.000% * 38.0990% (0.72 0.50 0.85) = 38.099% kept HB ILE 48 - HN ASN 119 10.000% * 9.3391% (0.55 0.16 0.02) = 9.339% kept HB ILE 48 - HN LYS+ 120 10.000% * 7.4006% (0.61 0.12 0.02) = 7.401% kept HD3 LYS+ 55 - HN LYS+ 120 10.000% * 0.5827% (0.28 0.02 0.02) = 0.583% HB VAL 99 - HN LYS+ 120 10.000% * 0.5827% (0.28 0.02 0.02) = 0.583% HB VAL 99 - HN ASN 119 10.000% * 0.5272% (0.25 0.02 0.02) = 0.527% HD3 LYS+ 55 - HN ASN 119 10.000% * 0.5272% (0.25 0.02 0.02) = 0.527% HB3 GLU- 50 - HN LYS+ 120 10.000% * 0.4147% (0.20 0.02 0.02) = 0.415% HB3 GLU- 50 - HN ASN 119 10.000% * 0.3753% (0.18 0.02 0.02) = 0.375% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 694 (2.78, 8.18, 119.35 ppm): 16 chemical-shift based assignments, quality = 0.833, support = 1.03, residual support = 5.45: O HB2 ASN 119 - HN ASN 119 6.250% * 82.1794% (0.83 10.0 1.00 6.56) = 82.179% kept * HB2 ASN 119 - HN LYS+ 120 6.250% * 13.3591% (0.92 1.0 1.47 0.44) = 13.359% kept HB3 ASN 15 - HN LYS+ 120 6.250% * 1.7217% (0.80 1.0 0.22 0.02) = 1.722% kept HB3 ASN 15 - HN ASN 119 6.250% * 1.5150% (0.72 1.0 0.21 0.02) = 1.515% kept HB3 ASN 57 - HN LYS+ 120 6.250% * 0.1816% (0.92 1.0 0.02 0.02) = 0.182% HA1 GLY 58 - HN LYS+ 120 6.250% * 0.1783% (0.91 1.0 0.02 0.02) = 0.178% HB3 ASN 57 - HN ASN 119 6.250% * 0.1644% (0.83 1.0 0.02 0.02) = 0.164% HA1 GLY 58 - HN ASN 119 6.250% * 0.1614% (0.82 1.0 0.02 0.02) = 0.161% HB3 ASN 89 - HN LYS+ 120 6.250% * 0.1504% (0.76 1.0 0.02 0.02) = 0.150% HB3 ASN 89 - HN ASN 119 6.250% * 0.1361% (0.69 1.0 0.02 0.02) = 0.136% HA2 GLY 58 - HN LYS+ 120 6.250% * 0.0547% (0.28 1.0 0.02 0.02) = 0.055% HA2 GLY 58 - HN ASN 119 6.250% * 0.0495% (0.25 1.0 0.02 0.02) = 0.050% HB2 HIS+ 5 - HN LYS+ 120 6.250% * 0.0389% (0.20 1.0 0.02 0.02) = 0.039% HE3 LYS+ 32 - HN LYS+ 120 6.250% * 0.0389% (0.20 1.0 0.02 0.02) = 0.039% HB2 HIS+ 5 - HN ASN 119 6.250% * 0.0352% (0.18 1.0 0.02 0.02) = 0.035% HE3 LYS+ 32 - HN ASN 119 6.250% * 0.0352% (0.18 1.0 0.02 0.02) = 0.035% Peak 695 (4.65, 8.18, 119.35 ppm): 10 chemical-shift based assignments, quality = 0.671, support = 1.54, residual support = 3.01: * O HA LYS+ 120 - HN LYS+ 120 10.000% * 92.4946% (0.69 10.0 1.59 3.23) = 92.495% kept HA LYS+ 120 - HN ASN 119 10.000% * 5.8923% (0.62 1.0 1.12 0.44) = 5.892% kept HA ASN 89 - HN ASN 119 10.000% * 0.9619% (0.37 1.0 0.31 0.02) = 0.962% HA LYS+ 20 - HN LYS+ 120 10.000% * 0.1630% (0.96 1.0 0.02 0.02) = 0.163% HA LYS+ 20 - HN ASN 119 10.000% * 0.1475% (0.87 1.0 0.02 0.02) = 0.147% HA ASP- 36 - HN LYS+ 120 10.000% * 0.1093% (0.65 1.0 0.02 0.02) = 0.109% HA ASP- 36 - HN ASN 119 10.000% * 0.0989% (0.58 1.0 0.02 0.02) = 0.099% HA ASN 89 - HN LYS+ 120 10.000% * 0.0689% (0.41 1.0 0.02 0.02) = 0.069% HA TYR 83 - HN LYS+ 120 10.000% * 0.0334% (0.20 1.0 0.02 0.02) = 0.033% HA TYR 83 - HN ASN 119 10.000% * 0.0302% (0.18 1.0 0.02 0.02) = 0.030% Peak 696 (8.18, 8.18, 119.35 ppm): 2 diagonal assignments: * HN LYS+ 120 - HN LYS+ 120 (0.98) kept HN ASN 119 - HN ASN 119 (0.62) kept Peak 697 (1.88, 8.18, 119.35 ppm): 22 chemical-shift based assignments, quality = 0.835, support = 0.93, residual support = 1.47: * HG3 LYS+ 120 - HN LYS+ 120 4.545% * 36.7653% (1.00 1.50 3.23) = 36.765% kept HB3 GLN 16 - HN LYS+ 120 4.545% * 13.2140% (0.83 0.65 0.15) = 13.214% kept HB3 GLN 16 - HN ASN 119 4.545% * 11.7258% (0.75 0.63 0.85) = 11.726% kept HG3 LYS+ 120 - HN ASN 119 4.545% * 11.6045% (0.90 0.52 0.44) = 11.604% kept HB2 GLU- 10 - HN LYS+ 120 4.545% * 8.5558% (0.94 0.37 0.02) = 8.556% kept HB3 MET 118 - HN ASN 119 4.545% * 7.8807% (0.25 1.28 1.39) = 7.881% kept HB2 GLU- 10 - HN ASN 119 4.545% * 7.3973% (0.85 0.35 0.02) = 7.397% kept HB3 ARG+ 84 - HN LYS+ 120 4.545% * 0.4891% (1.00 0.02 0.02) = 0.489% HB3 ARG+ 84 - HN ASN 119 4.545% * 0.4426% (0.90 0.02 0.02) = 0.443% HG2 GLU- 18 - HN LYS+ 120 4.545% * 0.3560% (0.73 0.02 0.02) = 0.356% HG2 GLU- 18 - HN ASN 119 4.545% * 0.3221% (0.66 0.02 0.02) = 0.322% HB3 CYS 123 - HN LYS+ 120 4.545% * 0.2386% (0.49 0.02 0.02) = 0.239% HB3 CYS 123 - HN ASN 119 4.545% * 0.2159% (0.44 0.02 0.02) = 0.216% HB3 MET 118 - HN LYS+ 120 4.545% * 0.1363% (0.28 0.02 0.02) = 0.136% HB2 PRO 104 - HN LYS+ 120 4.545% * 0.0970% (0.20 0.02 0.02) = 0.097% HB2 PRO 104 - HN ASN 119 4.545% * 0.0878% (0.18 0.02 0.02) = 0.088% HB3 LYS+ 72 - HN LYS+ 120 4.545% * 0.0858% (0.17 0.02 0.02) = 0.086% HB3 GLU- 54 - HN LYS+ 120 4.545% * 0.0858% (0.17 0.02 0.02) = 0.086% HB3 LYS+ 72 - HN ASN 119 4.545% * 0.0777% (0.16 0.02 0.02) = 0.078% HB3 GLU- 54 - HN ASN 119 4.545% * 0.0777% (0.16 0.02 0.02) = 0.078% HB3 GLN 102 - HN LYS+ 120 4.545% * 0.0756% (0.15 0.02 0.02) = 0.076% HB3 GLN 102 - HN ASN 119 4.545% * 0.0684% (0.14 0.02 0.02) = 0.068% Peak 698 (2.25, 8.18, 119.35 ppm): 20 chemical-shift based assignments, quality = 0.609, support = 0.326, residual support = 0.382: * HG3 MET 118 - HN ASN 119 5.000% * 26.0794% (0.28 0.74 1.39) = 26.079% kept HG3 GLU- 10 - HN LYS+ 120 5.000% * 24.9369% (0.90 0.22 0.02) = 24.937% kept HG3 GLU- 10 - HN ASN 119 5.000% * 23.9092% (0.81 0.23 0.02) = 23.909% kept HG3 GLU- 107 - HN LYS+ 120 5.000% * 6.1821% (0.17 0.28 0.11) = 6.182% kept HB VAL 80 - HN LYS+ 120 5.000% * 2.4207% (0.96 0.02 0.02) = 2.421% kept HG2 GLU- 56 - HN LYS+ 120 5.000% * 2.3155% (0.92 0.02 0.02) = 2.315% kept HB VAL 80 - HN ASN 119 5.000% * 2.1903% (0.87 0.02 0.02) = 2.190% kept HG2 GLU- 56 - HN ASN 119 5.000% * 2.0951% (0.83 0.02 0.02) = 2.095% kept HG3 GLU- 75 - HN LYS+ 120 5.000% * 1.6226% (0.65 0.02 0.02) = 1.623% kept HG3 GLU- 75 - HN ASN 119 5.000% * 1.4682% (0.58 0.02 0.02) = 1.468% kept HB3 PRO 52 - HN LYS+ 120 5.000% * 1.0312% (0.41 0.02 0.02) = 1.031% kept HA1 GLY 58 - HN LYS+ 120 5.000% * 1.0297% (0.41 0.02 0.02) = 1.030% kept HB3 PRO 52 - HN ASN 119 5.000% * 0.9331% (0.37 0.02 0.02) = 0.933% HA1 GLY 58 - HN ASN 119 5.000% * 0.9317% (0.37 0.02 0.02) = 0.932% HG3 MET 118 - HN LYS+ 120 5.000% * 0.7742% (0.31 0.02 0.02) = 0.774% HG3 GLU- 18 - HN LYS+ 120 5.000% * 0.4964% (0.20 0.02 0.02) = 0.496% HG3 GLU- 18 - HN ASN 119 5.000% * 0.4492% (0.18 0.02 0.02) = 0.449% HG3 GLU- 107 - HN ASN 119 5.000% * 0.3975% (0.16 0.02 0.17) = 0.397% HB2 GLU- 50 - HN LYS+ 120 5.000% * 0.3870% (0.15 0.02 0.02) = 0.387% HB2 GLU- 50 - HN ASN 119 5.000% * 0.3502% (0.14 0.02 0.02) = 0.350% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 699 (2.08, 8.18, 119.35 ppm): 24 chemical-shift based assignments, quality = 0.973, support = 1.21, residual support = 2.98: * O HB3 LYS+ 120 - HN LYS+ 120 4.167% * 91.5836% (1.00 10.0 1.25 3.23) = 91.584% kept HB3 LYS+ 120 - HN ASN 119 4.167% * 6.4488% (0.90 1.0 0.97 0.44) = 6.449% kept HB2 LEU 43 - HN ASN 119 4.167% * 0.4523% (0.58 1.0 0.11 0.28) = 0.452% HB3 GLU- 75 - HN LYS+ 120 4.167% * 0.1390% (0.95 1.0 0.02 0.02) = 0.139% HB3 GLU- 75 - HN ASN 119 4.167% * 0.1258% (0.86 1.0 0.02 0.02) = 0.126% HG3 ARG+ 53 - HN LYS+ 120 4.167% * 0.1226% (0.83 1.0 0.02 0.02) = 0.123% HD3 LYS+ 110 - HN LYS+ 120 4.167% * 0.1176% (0.80 1.0 0.02 0.02) = 0.118% HG3 ARG+ 53 - HN ASN 119 4.167% * 0.1110% (0.75 1.0 0.02 0.02) = 0.111% HB2 LYS+ 110 - HN LYS+ 120 4.167% * 0.1066% (0.73 1.0 0.02 0.02) = 0.107% HD3 LYS+ 110 - HN ASN 119 4.167% * 0.1064% (0.72 1.0 0.02 0.02) = 0.106% HB2 LYS+ 110 - HN ASN 119 4.167% * 0.0965% (0.66 1.0 0.02 0.02) = 0.096% HB2 LEU 43 - HN LYS+ 120 4.167% * 0.0950% (0.65 1.0 0.02 0.02) = 0.095% HB VAL 125 - HN LYS+ 120 4.167% * 0.0891% (0.61 1.0 0.02 0.02) = 0.089% HB VAL 125 - HN ASN 119 4.167% * 0.0806% (0.55 1.0 0.02 0.02) = 0.081% HB VAL 87 - HN LYS+ 120 4.167% * 0.0501% (0.34 1.0 0.02 0.02) = 0.050% HB VAL 65 - HN LYS+ 120 4.167% * 0.0453% (0.31 1.0 0.02 0.02) = 0.045% HB VAL 87 - HN ASN 119 4.167% * 0.0453% (0.31 1.0 0.02 0.02) = 0.045% HB VAL 65 - HN ASN 119 4.167% * 0.0410% (0.28 1.0 0.02 0.02) = 0.041% HB2 GLU- 45 - HN LYS+ 120 4.167% * 0.0291% (0.20 1.0 0.02 0.02) = 0.029% HB2 GLU- 45 - HN ASN 119 4.167% * 0.0263% (0.18 1.0 0.02 0.02) = 0.026% HA1 GLY 58 - HN LYS+ 120 4.167% * 0.0236% (0.16 1.0 0.02 0.02) = 0.024% HB3 GLU- 10 - HN LYS+ 120 4.167% * 0.0227% (0.15 1.0 0.02 0.02) = 0.023% HA1 GLY 58 - HN ASN 119 4.167% * 0.0213% (0.15 1.0 0.02 0.02) = 0.021% HB3 GLU- 10 - HN ASN 119 4.167% * 0.0205% (0.14 1.0 0.02 0.02) = 0.020% Peak 700 (4.12, 8.26, 118.98 ppm): 20 chemical-shift based assignments, quality = 0.717, support = 2.13, residual support = 10.5: * O HB THR 106 - HN THR 106 5.000% * 50.0934% (0.85 10.0 1.43 13.13) = 50.093% kept O HA VAL 105 - HN THR 106 5.000% * 48.0504% (0.58 10.0 2.93 8.23) = 48.050% kept HA ASN 89 - HN THR 106 5.000% * 1.3576% (0.84 1.0 0.39 0.10) = 1.358% kept HA ARG+ 53 - HN THR 106 5.000% * 0.0686% (0.83 1.0 0.02 0.02) = 0.069% HA THR 46 - HN THR 106 5.000% * 0.0646% (0.78 1.0 0.02 0.02) = 0.065% HD2 PRO 59 - HN THR 106 5.000% * 0.0424% (0.51 1.0 0.02 0.02) = 0.042% HA LYS+ 44 - HN THR 106 5.000% * 0.0413% (0.50 1.0 0.02 0.02) = 0.041% HB THR 106 - HN LYS+ 81 5.000% * 0.0316% (0.38 1.0 0.02 0.02) = 0.032% HA ASN 89 - HN LYS+ 81 5.000% * 0.0313% (0.38 1.0 0.02 0.02) = 0.031% HA ARG+ 53 - HN LYS+ 81 5.000% * 0.0310% (0.38 1.0 0.02 0.02) = 0.031% HA THR 46 - HN LYS+ 81 5.000% * 0.0292% (0.35 1.0 0.02 0.02) = 0.029% HA2 GLY 71 - HN THR 106 5.000% * 0.0288% (0.35 1.0 0.02 0.02) = 0.029% HA ALA 70 - HN THR 106 5.000% * 0.0239% (0.29 1.0 0.02 0.02) = 0.024% HA VAL 105 - HN LYS+ 81 5.000% * 0.0217% (0.26 1.0 0.02 0.02) = 0.022% HD2 PRO 59 - HN LYS+ 81 5.000% * 0.0192% (0.23 1.0 0.02 0.02) = 0.019% HA LYS+ 44 - HN LYS+ 81 5.000% * 0.0187% (0.23 1.0 0.02 0.02) = 0.019% HB2 SER 88 - HN THR 106 5.000% * 0.0156% (0.19 1.0 0.02 0.02) = 0.016% HA2 GLY 71 - HN LYS+ 81 5.000% * 0.0130% (0.16 1.0 0.02 0.02) = 0.013% HA ALA 70 - HN LYS+ 81 5.000% * 0.0108% (0.13 1.0 0.02 0.02) = 0.011% HB2 SER 88 - HN LYS+ 81 5.000% * 0.0070% (0.09 1.0 0.02 0.02) = 0.007% Peak 701 (8.26, 8.26, 118.98 ppm): 2 diagonal assignments: * HN THR 106 - HN THR 106 (0.74) kept HN LYS+ 81 - HN LYS+ 81 (0.12) kept Peak 702 (4.77, 8.26, 118.98 ppm): 18 chemical-shift based assignments, quality = 0.501, support = 0.543, residual support = 0.0305: HA ASP- 115 - HN THR 106 5.556% * 68.5782% (0.62 0.70 0.02) = 68.578% kept HA ASN 89 - HN THR 106 5.556% * 14.4117% (0.23 0.39 0.10) = 14.412% kept HA HIS+ 7 - HN LYS+ 81 5.556% * 1.9664% (0.07 0.18 0.02) = 1.966% kept HA VAL 40 - HN THR 106 5.556% * 1.8505% (0.58 0.02 0.02) = 1.851% kept HA MET 118 - HN THR 106 5.556% * 1.6340% (0.51 0.02 0.02) = 1.634% kept HA HIS+ 5 - HN THR 106 5.556% * 1.6340% (0.51 0.02 0.02) = 1.634% kept HA ASN 15 - HN THR 106 5.556% * 1.6340% (0.51 0.02 0.02) = 1.634% kept HA PRO 116 - HN THR 106 5.556% * 1.5252% (0.48 0.02 0.02) = 1.525% kept HA LYS+ 113 - HN THR 106 5.556% * 0.9189% (0.29 0.02 0.02) = 0.919% HA ASP- 115 - HN LYS+ 81 5.556% * 0.8845% (0.28 0.02 0.02) = 0.885% HA VAL 40 - HN LYS+ 81 5.556% * 0.8367% (0.26 0.02 0.02) = 0.837% HA HIS+ 5 - HN LYS+ 81 5.556% * 0.7388% (0.23 0.02 0.02) = 0.739% HA MET 118 - HN LYS+ 81 5.556% * 0.7388% (0.23 0.02 0.02) = 0.739% HA ASN 15 - HN LYS+ 81 5.556% * 0.7388% (0.23 0.02 0.02) = 0.739% HA PRO 116 - HN LYS+ 81 5.556% * 0.6896% (0.22 0.02 0.02) = 0.690% HA HIS+ 7 - HN THR 106 5.556% * 0.4718% (0.15 0.02 0.02) = 0.472% HA LYS+ 113 - HN LYS+ 81 5.556% * 0.4155% (0.13 0.02 0.02) = 0.415% HA ASN 89 - HN LYS+ 81 5.556% * 0.3325% (0.10 0.02 0.02) = 0.333% Peak 703 (4.28, 8.26, 118.98 ppm): 30 chemical-shift based assignments, quality = 0.742, support = 2.35, residual support = 11.3: * O HA THR 106 - HN THR 106 3.333% * 85.3797% (0.78 10.0 2.57 13.13) = 85.380% kept HA VAL 73 - HN THR 106 3.333% * 5.6810% (0.58 1.0 1.79 0.96) = 5.681% kept HA ARG+ 84 - HN THR 106 3.333% * 2.1459% (0.68 1.0 0.58 0.02) = 2.146% kept HA VAL 73 - HN LYS+ 81 3.333% * 2.1026% (0.26 1.0 1.46 1.17) = 2.103% kept HA ASN 89 - HN THR 106 3.333% * 1.5920% (0.75 1.0 0.39 0.10) = 1.592% kept HA SER 85 - HN THR 106 3.333% * 1.0989% (0.76 1.0 0.26 0.02) = 1.099% kept HA GLU- 75 - HN THR 106 3.333% * 0.3388% (0.41 1.0 0.15 0.02) = 0.339% HA GLU- 75 - HN LYS+ 81 3.333% * 0.3315% (0.19 1.0 0.33 0.02) = 0.332% HA GLU- 56 - HN LYS+ 81 3.333% * 0.3169% (0.11 1.0 0.55 0.02) = 0.317% HA LEU 90 - HN LYS+ 81 3.333% * 0.1988% (0.31 1.0 0.12 0.02) = 0.199% HA ALA 91 - HN THR 106 3.333% * 0.0854% (0.78 1.0 0.02 0.02) = 0.085% HD3 PRO 59 - HN THR 106 3.333% * 0.0829% (0.76 1.0 0.02 0.02) = 0.083% HA PRO 52 - HN THR 106 3.333% * 0.0829% (0.76 1.0 0.02 0.02) = 0.083% HA VAL 65 - HN THR 106 3.333% * 0.0773% (0.71 1.0 0.02 0.02) = 0.077% HA LEU 90 - HN THR 106 3.333% * 0.0741% (0.68 1.0 0.02 0.02) = 0.074% HA THR 106 - HN LYS+ 81 3.333% * 0.0386% (0.35 1.0 0.02 0.02) = 0.039% HA ALA 91 - HN LYS+ 81 3.333% * 0.0386% (0.35 1.0 0.02 0.02) = 0.039% HD3 PRO 59 - HN LYS+ 81 3.333% * 0.0375% (0.34 1.0 0.02 0.02) = 0.038% HA PRO 52 - HN LYS+ 81 3.333% * 0.0375% (0.34 1.0 0.02 0.02) = 0.038% HA SER 85 - HN LYS+ 81 3.333% * 0.0375% (0.34 1.0 0.02 0.02) = 0.038% HA ASN 89 - HN LYS+ 81 3.333% * 0.0367% (0.34 1.0 0.02 0.02) = 0.037% HA VAL 65 - HN LYS+ 81 3.333% * 0.0349% (0.32 1.0 0.02 0.02) = 0.035% HA ARG+ 84 - HN LYS+ 81 3.333% * 0.0335% (0.31 1.0 0.02 0.02) = 0.033% HA PRO 104 - HN THR 106 3.333% * 0.0315% (0.29 1.0 0.02 0.14) = 0.032% HA GLU- 56 - HN THR 106 3.333% * 0.0257% (0.24 1.0 0.02 0.02) = 0.026% HA2 GLY 114 - HN THR 106 3.333% * 0.0183% (0.17 1.0 0.02 0.02) = 0.018% HA PRO 104 - HN LYS+ 81 3.333% * 0.0143% (0.13 1.0 0.02 0.02) = 0.014% HA ILE 29 - HN THR 106 3.333% * 0.0125% (0.11 1.0 0.02 0.02) = 0.013% HA2 GLY 114 - HN LYS+ 81 3.333% * 0.0083% (0.08 1.0 0.02 0.02) = 0.008% HA ILE 29 - HN LYS+ 81 3.333% * 0.0057% (0.05 1.0 0.02 0.02) = 0.006% Peak 704 (4.49, 8.26, 118.98 ppm): 26 chemical-shift based assignments, quality = 0.355, support = 1.04, residual support = 0.542: HA VAL 73 - HN THR 106 3.846% * 32.9788% (0.43 1.79 0.96) = 32.979% kept HA VAL 73 - HN LYS+ 81 3.846% * 12.2060% (0.19 1.46 1.17) = 12.206% kept HA ASN 76 - HN LYS+ 81 3.846% * 12.1767% (0.38 0.75 0.22) = 12.177% kept HA SER 77 - HN LYS+ 81 3.846% * 9.5349% (0.29 0.75 0.12) = 9.535% kept HA ASN 89 - HN THR 106 3.846% * 8.9587% (0.53 0.39 0.10) = 8.959% kept HA CYS 123 - HN LYS+ 81 3.846% * 6.1486% (0.33 0.43 0.02) = 6.149% kept HA LYS+ 55 - HN THR 106 3.846% * 4.8036% (0.32 0.35 0.02) = 4.804% kept HA ALA 103 - HN LYS+ 81 3.846% * 3.6487% (0.19 0.45 0.79) = 3.649% kept HA LYS+ 55 - HN LYS+ 81 3.846% * 2.9210% (0.14 0.47 0.11) = 2.921% kept HA ASN 76 - HN THR 106 3.846% * 2.7870% (0.83 0.08 0.02) = 2.787% kept HA CYS 123 - HN THR 106 3.846% * 0.6379% (0.74 0.02 0.02) = 0.638% HA SER 77 - HN THR 106 3.846% * 0.5620% (0.65 0.02 0.02) = 0.562% HA ALA 103 - HN THR 106 3.846% * 0.3580% (0.41 0.02 0.02) = 0.358% HA LYS+ 32 - HN THR 106 3.846% * 0.3297% (0.38 0.02 0.02) = 0.330% HA PRO 86 - HN THR 106 3.846% * 0.2760% (0.32 0.02 0.02) = 0.276% HB THR 46 - HN THR 106 3.846% * 0.2760% (0.32 0.02 0.02) = 0.276% HA ILE 100 - HN THR 106 3.846% * 0.2270% (0.26 0.02 0.02) = 0.227% HA ASN 89 - HN LYS+ 81 3.846% * 0.2067% (0.24 0.02 0.02) = 0.207% HA ILE 101 - HN THR 106 3.846% * 0.2045% (0.24 0.02 0.02) = 0.204% HA LYS+ 32 - HN LYS+ 81 3.846% * 0.1491% (0.17 0.02 0.02) = 0.149% HA PRO 86 - HN LYS+ 81 3.846% * 0.1248% (0.14 0.02 0.02) = 0.125% HB THR 46 - HN LYS+ 81 3.846% * 0.1248% (0.14 0.02 0.02) = 0.125% HA GLU- 50 - HN THR 106 3.846% * 0.1135% (0.13 0.02 0.02) = 0.113% HA ILE 100 - HN LYS+ 81 3.846% * 0.1026% (0.12 0.02 0.02) = 0.103% HA ILE 101 - HN LYS+ 81 3.846% * 0.0925% (0.11 0.02 0.02) = 0.092% HA GLU- 50 - HN LYS+ 81 3.846% * 0.0513% (0.06 0.02 0.02) = 0.051% Peak 705 (0.91, 8.26, 118.98 ppm): 30 chemical-shift based assignments, quality = 0.565, support = 2.02, residual support = 4.25: * QG2 VAL 105 - HN THR 106 3.333% * 35.4133% (0.76 3.26 8.23) = 35.413% kept QD1 LEU 67 - HN THR 106 3.333% * 10.9772% (0.82 0.94 0.13) = 10.977% kept QG1 VAL 80 - HN LYS+ 81 3.333% * 8.8933% (0.20 3.09 7.56) = 8.893% kept HG LEU 74 - HN THR 106 3.333% * 8.5144% (0.49 1.22 0.75) = 8.514% kept QG2 VAL 73 - HN THR 106 3.333% * 7.8630% (0.58 0.95 0.96) = 7.863% kept HG LEU 74 - HN LYS+ 81 3.333% * 5.4871% (0.22 1.73 0.81) = 5.487% kept QG1 VAL 105 - HN THR 106 3.333% * 5.0542% (0.15 2.39 8.23) = 5.054% kept HG13 ILE 68 - HN THR 106 3.333% * 4.3342% (0.84 0.36 0.02) = 4.334% kept QG1 VAL 47 - HN LYS+ 81 3.333% * 4.0536% (0.35 0.80 0.02) = 4.054% kept QG2 VAL 73 - HN LYS+ 81 3.333% * 3.8448% (0.26 1.02 1.17) = 3.845% kept QG1 VAL 47 - HN THR 106 3.333% * 1.5800% (0.78 0.14 0.02) = 1.580% kept QG1 VAL 80 - HN THR 106 3.333% * 1.5695% (0.45 0.25 0.02) = 1.569% kept QG1 VAL 40 - HN THR 106 3.333% * 0.5755% (0.17 0.24 0.02) = 0.576% QG2 VAL 47 - HN THR 106 3.333% * 0.4268% (0.21 0.14 0.02) = 0.427% QG2 VAL 87 - HN THR 106 3.333% * 0.2371% (0.83 0.02 0.02) = 0.237% QG1 VAL 122 - HN LYS+ 81 3.333% * 0.2229% (0.14 0.11 0.02) = 0.223% QG2 VAL 99 - HN THR 106 3.333% * 0.1565% (0.55 0.02 0.02) = 0.156% HG13 ILE 68 - HN LYS+ 81 3.333% * 0.1084% (0.38 0.02 0.02) = 0.108% QG2 VAL 87 - HN LYS+ 81 3.333% * 0.1072% (0.38 0.02 0.02) = 0.107% QD1 LEU 67 - HN LYS+ 81 3.333% * 0.1056% (0.37 0.02 0.02) = 0.106% QG2 VAL 105 - HN LYS+ 81 3.333% * 0.0981% (0.34 0.02 0.02) = 0.098% QG1 VAL 122 - HN THR 106 3.333% * 0.0908% (0.32 0.02 0.02) = 0.091% QG2 VAL 99 - HN LYS+ 81 3.333% * 0.0708% (0.25 0.02 0.02) = 0.071% QG2 VAL 125 - HN THR 106 3.333% * 0.0539% (0.19 0.02 0.02) = 0.054% QD1 LEU 17 - HN THR 106 3.333% * 0.0479% (0.17 0.02 0.02) = 0.048% QG2 VAL 47 - HN LYS+ 81 3.333% * 0.0273% (0.10 0.02 0.02) = 0.027% QG2 VAL 125 - HN LYS+ 81 3.333% * 0.0243% (0.09 0.02 0.02) = 0.024% QG1 VAL 40 - HN LYS+ 81 3.333% * 0.0216% (0.08 0.02 0.02) = 0.022% QD1 LEU 17 - HN LYS+ 81 3.333% * 0.0216% (0.08 0.02 0.02) = 0.022% QG1 VAL 105 - HN LYS+ 81 3.333% * 0.0192% (0.07 0.02 0.02) = 0.019% Peak 706 (2.00, 8.26, 118.98 ppm): 28 chemical-shift based assignments, quality = 0.606, support = 2.3, residual support = 6.01: * HB VAL 105 - HN THR 106 3.571% * 72.7146% (0.71 3.02 8.23) = 72.715% kept HB2 LYS+ 108 - HN THR 106 3.571% * 8.6984% (0.58 0.44 0.26) = 8.698% kept HG2 PRO 116 - HN THR 106 3.571% * 6.2912% (0.45 0.41 0.02) = 6.291% kept HG3 PRO 104 - HN THR 106 3.571% * 4.3773% (0.19 0.68 0.14) = 4.377% kept HB3 GLU- 75 - HN THR 106 3.571% * 1.0765% (0.21 0.15 0.02) = 1.076% kept HB3 GLU- 75 - HN LYS+ 81 3.571% * 1.0532% (0.10 0.33 0.02) = 1.053% kept HB3 PRO 31 - HN LYS+ 81 3.571% * 0.8114% (0.12 0.20 0.02) = 0.811% HG2 PRO 86 - HN THR 106 3.571% * 0.5321% (0.78 0.02 0.02) = 0.532% HB2 HIS+ 14 - HN THR 106 3.571% * 0.5000% (0.74 0.02 0.02) = 0.500% HB2 GLU- 18 - HN THR 106 3.571% * 0.4405% (0.65 0.02 0.02) = 0.440% HG3 PRO 104 - HN LYS+ 81 3.571% * 0.4136% (0.09 0.14 0.02) = 0.414% HG2 GLU- 64 - HN THR 106 3.571% * 0.3959% (0.58 0.02 0.02) = 0.396% HB3 PRO 112 - HN THR 106 3.571% * 0.2806% (0.41 0.02 0.02) = 0.281% HG2 PRO 86 - HN LYS+ 81 3.571% * 0.2406% (0.35 0.02 0.02) = 0.241% HB2 PRO 112 - HN THR 106 3.571% * 0.2370% (0.35 0.02 0.02) = 0.237% HB2 HIS+ 14 - HN LYS+ 81 3.571% * 0.2261% (0.33 0.02 0.02) = 0.226% HB VAL 105 - HN LYS+ 81 3.571% * 0.2177% (0.32 0.02 0.02) = 0.218% HB2 GLU- 18 - HN LYS+ 81 3.571% * 0.1992% (0.29 0.02 0.02) = 0.199% HB2 LYS+ 108 - HN LYS+ 81 3.571% * 0.1790% (0.26 0.02 0.02) = 0.179% HG2 GLU- 64 - HN LYS+ 81 3.571% * 0.1790% (0.26 0.02 0.02) = 0.179% HB3 PRO 31 - HN THR 106 3.571% * 0.1779% (0.26 0.02 0.02) = 0.178% HB2 LYS+ 44 - HN THR 106 3.571% * 0.1779% (0.26 0.02 0.02) = 0.178% HG2 PRO 116 - HN LYS+ 81 3.571% * 0.1371% (0.20 0.02 0.02) = 0.137% HB3 PRO 112 - HN LYS+ 81 3.571% * 0.1269% (0.19 0.02 0.02) = 0.127% HB2 PRO 112 - HN LYS+ 81 3.571% * 0.1071% (0.16 0.02 0.02) = 0.107% HB3 GLU- 45 - HN THR 106 3.571% * 0.0889% (0.13 0.02 0.02) = 0.089% HB2 LYS+ 44 - HN LYS+ 81 3.571% * 0.0804% (0.12 0.02 0.02) = 0.080% HB3 GLU- 45 - HN LYS+ 81 3.571% * 0.0402% (0.06 0.02 0.02) = 0.040% Peak 707 (1.67, 8.26, 118.98 ppm): 14 chemical-shift based assignments, quality = 0.355, support = 0.675, residual support = 1.27: HB2 HIS+ 8 - HN LYS+ 81 7.143% * 31.0874% (0.19 1.50 3.99) = 31.087% kept HD3 LYS+ 55 - HN THR 106 7.143% * 21.9264% (0.74 0.27 0.02) = 21.926% kept HD3 LYS+ 55 - HN LYS+ 81 7.143% * 18.3748% (0.33 0.50 0.11) = 18.375% kept HG3 ARG+ 84 - HN LYS+ 81 7.143% * 7.8517% (0.19 0.38 0.02) = 7.852% kept HB3 MET 97 - HN THR 106 7.143% * 4.6190% (0.24 0.18 0.02) = 4.619% kept HG3 ARG+ 84 - HN THR 106 7.143% * 4.2844% (0.41 0.09 0.02) = 4.284% kept HB3 ARG+ 22 - HN LYS+ 81 7.143% * 3.0557% (0.09 0.32 0.02) = 3.056% kept HB3 MET 97 - HN LYS+ 81 7.143% * 2.5674% (0.11 0.22 0.02) = 2.567% kept HB3 MET 126 - HN THR 106 7.143% * 1.7386% (0.78 0.02 0.02) = 1.739% kept HB VAL 99 - HN THR 106 7.143% * 1.6337% (0.74 0.02 0.02) = 1.634% kept HB2 HIS+ 8 - HN THR 106 7.143% * 0.9167% (0.41 0.02 0.02) = 0.917% HB3 MET 126 - HN LYS+ 81 7.143% * 0.7861% (0.35 0.02 0.02) = 0.786% HB VAL 99 - HN LYS+ 81 7.143% * 0.7387% (0.33 0.02 0.02) = 0.739% HB3 ARG+ 22 - HN THR 106 7.143% * 0.4193% (0.19 0.02 0.02) = 0.419% 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 = 0.835, support = 2.9, residual support = 6.89: * HN VAL 47 - HN THR 46 14.286% * 78.9337% (0.92 3.49 8.72) = 78.934% kept HN ILE 48 - HN THR 46 14.286% * 13.2322% (0.53 1.03 0.02) = 13.232% kept HZ PHE 34 - HN THR 46 14.286% * 2.7098% (0.41 0.27 0.02) = 2.710% kept HZ2 TRP 51 - HN THR 46 14.286% * 2.6420% (0.41 0.26 0.02) = 2.642% kept QD PHE 34 - HN THR 46 14.286% * 1.8163% (0.87 0.09 0.02) = 1.816% kept HN ARG+ 84 - HN THR 46 14.286% * 0.4641% (0.94 0.02 0.02) = 0.464% QE PHE 34 - HN THR 46 14.286% * 0.2017% (0.41 0.02 0.02) = 0.202% Peak 710 (4.51, 7.79, 118.77 ppm): 8 chemical-shift based assignments, quality = 0.977, support = 3.42, residual support = 7.86: * O HB THR 46 - HN THR 46 12.500% * 95.5887% (0.99 10.0 3.55 8.22) = 95.589% kept HA ASN 89 - HN THR 46 12.500% * 2.5840% (0.59 1.0 0.91 0.02) = 2.584% kept HA LYS+ 55 - HN THR 46 12.500% * 1.5798% (0.99 1.0 0.33 0.02) = 1.580% kept HA SER 77 - HN THR 46 12.500% * 0.0700% (0.73 1.0 0.02 0.02) = 0.070% HA CYS 123 - HN THR 46 12.500% * 0.0585% (0.61 1.0 0.02 0.02) = 0.058% HA LYS+ 78 - HN THR 46 12.500% * 0.0432% (0.45 1.0 0.02 0.02) = 0.043% HA ASN 76 - HN THR 46 12.500% * 0.0396% (0.41 1.0 0.02 0.02) = 0.040% HA VAL 73 - HN THR 46 12.500% * 0.0360% (0.37 1.0 0.02 0.02) = 0.036% Peak 711 (8.21, 7.79, 118.77 ppm): 13 chemical-shift based assignments, quality = 0.98, support = 4.23, residual support = 13.3: * T HN GLU- 45 - HN THR 46 7.692% * 98.9519% (0.99 10.00 4.28 13.41) = 98.952% kept HN SER 49 - HN THR 46 7.692% * 0.5155% (0.31 1.00 0.33 0.02) = 0.515% HN ALA 11 - HN THR 46 7.692% * 0.0963% (0.96 1.00 0.02 0.02) = 0.096% HN VAL 105 - HN THR 46 7.692% * 0.0866% (0.87 1.00 0.02 0.02) = 0.087% HN VAL 94 - HN THR 46 7.692% * 0.0834% (0.83 1.00 0.02 0.02) = 0.083% HN LYS+ 117 - HN THR 46 7.692% * 0.0834% (0.83 1.00 0.02 0.02) = 0.083% HN ALA 33 - HN THR 46 7.692% * 0.0606% (0.61 1.00 0.02 0.02) = 0.061% HN ASN 119 - HN THR 46 7.692% * 0.0448% (0.45 1.00 0.02 0.02) = 0.045% HN GLY 58 - HN THR 46 7.692% * 0.0198% (0.20 1.00 0.02 0.11) = 0.020% HN MET 118 - HN THR 46 7.692% * 0.0154% (0.15 1.00 0.02 0.02) = 0.015% HN LYS+ 120 - HN THR 46 7.692% * 0.0154% (0.15 1.00 0.02 0.02) = 0.015% HN LEU 67 - HN THR 46 7.692% * 0.0135% (0.14 1.00 0.02 0.02) = 0.014% HN LYS+ 81 - HN THR 46 7.692% * 0.0135% (0.14 1.00 0.02 0.02) = 0.014% Peak 712 (4.10, 7.79, 118.77 ppm): 8 chemical-shift based assignments, quality = 0.667, support = 2.74, residual support = 6.77: O HA THR 46 - HN THR 46 12.500% * 82.1262% (0.65 10.0 2.90 8.22) = 82.126% kept HA LYS+ 44 - HN THR 46 12.500% * 11.6192% (0.68 1.0 2.68 0.17) = 11.619% kept HA ASN 89 - HN THR 46 12.500% * 5.7403% (0.99 1.0 0.91 0.02) = 5.740% kept HA ARG+ 53 - HN THR 46 12.500% * 0.1791% (0.31 1.0 0.09 0.02) = 0.179% HA ALA 70 - HN THR 46 12.500% * 0.1258% (0.99 1.0 0.02 0.02) = 0.126% HA VAL 105 - HN THR 46 12.500% * 0.1139% (0.90 1.0 0.02 0.02) = 0.114% HB THR 106 - HN THR 46 12.500% * 0.0522% (0.41 1.0 0.02 0.02) = 0.052% HA LYS+ 63 - HN THR 46 12.500% * 0.0433% (0.34 1.0 0.02 0.02) = 0.043% Peak 713 (2.07, 7.79, 118.77 ppm): 12 chemical-shift based assignments, quality = 0.52, support = 2.45, residual support = 7.27: * HB2 GLU- 45 - HN THR 46 8.333% * 53.0704% (0.31 3.97 13.41) = 53.070% kept HB3 GLU- 75 - HN THR 46 8.333% * 33.8305% (0.92 0.85 0.43) = 33.831% kept HA1 GLY 58 - HN THR 46 8.333% * 6.0699% (0.16 0.89 0.11) = 6.070% kept HG3 ARG+ 53 - HN THR 46 8.333% * 3.7488% (0.94 0.09 0.02) = 3.749% kept HB3 LYS+ 120 - HN THR 46 8.333% * 0.8368% (0.96 0.02 0.02) = 0.837% HD3 LYS+ 110 - HN THR 46 8.333% * 0.5609% (0.65 0.02 0.02) = 0.561% HB2 LYS+ 110 - HN THR 46 8.333% * 0.4909% (0.57 0.02 0.02) = 0.491% HB2 LEU 43 - HN THR 46 8.333% * 0.4221% (0.49 0.02 0.02) = 0.422% HB VAL 125 - HN THR 46 8.333% * 0.3888% (0.45 0.02 0.02) = 0.389% HB3 GLU- 10 - HN THR 46 8.333% * 0.2162% (0.25 0.02 0.02) = 0.216% HB VAL 87 - HN THR 46 8.333% * 0.1931% (0.22 0.02 0.02) = 0.193% HB VAL 65 - HN THR 46 8.333% * 0.1716% (0.20 0.02 0.02) = 0.172% Peak 714 (2.22, 7.79, 118.77 ppm): 14 chemical-shift based assignments, quality = 0.709, support = 1.05, residual support = 0.446: HB2 GLU- 50 - HN THR 46 7.143% * 47.6532% (1.00 1.36 0.70) = 47.653% kept HG3 GLU- 75 - HN THR 46 7.143% * 22.3481% (0.65 0.99 0.43) = 22.348% kept HA1 GLY 58 - HN THR 46 7.143% * 11.3017% (0.36 0.89 0.11) = 11.302% kept HG2 GLU- 56 - HN THR 46 7.143% * 8.8345% (0.34 0.74 0.02) = 8.835% kept HG3 GLU- 10 - HN THR 46 7.143% * 4.9335% (0.37 0.38 0.02) = 4.934% kept HG3 GLU- 107 - HN THR 46 7.143% * 0.7009% (1.00 0.02 0.02) = 0.701% HG3 GLU- 18 - HN THR 46 7.143% * 0.6993% (1.00 0.02 0.02) = 0.699% HG3 GLU- 109 - HN THR 46 7.143% * 0.6764% (0.96 0.02 0.02) = 0.676% HG3 MET 118 - HN THR 46 7.143% * 0.6630% (0.94 0.02 0.02) = 0.663% HG3 MET 126 - HN THR 46 7.143% * 0.6470% (0.92 0.02 0.02) = 0.647% HB3 PRO 52 - HN THR 46 7.143% * 0.6080% (0.87 0.02 0.02) = 0.608% HG3 GLU- 54 - HN THR 46 7.143% * 0.4251% (0.61 0.02 0.02) = 0.425% HB2 LYS+ 113 - HN THR 46 7.143% * 0.3142% (0.45 0.02 0.02) = 0.314% HG2 MET 126 - HN THR 46 7.143% * 0.1949% (0.28 0.02 0.02) = 0.195% Peak 715 (1.31, 7.79, 118.77 ppm): 5 chemical-shift based assignments, quality = 0.811, support = 2.57, residual support = 4.8: * QG2 THR 46 - HN THR 46 20.000% * 46.2476% (0.92 3.50 8.22) = 46.248% kept HG LEU 74 - HN THR 46 20.000% * 21.8445% (0.70 2.18 0.56) = 21.844% kept QB ALA 103 - HN THR 46 20.000% * 21.3816% (0.83 1.79 3.90) = 21.382% kept HB3 LEU 74 - HN THR 46 20.000% * 6.4103% (0.37 1.19 0.56) = 6.410% kept HB2 LYS+ 55 - HN THR 46 20.000% * 4.1161% (0.73 0.40 0.02) = 4.116% kept Peak 716 (3.81, 7.79, 118.77 ppm): 9 chemical-shift based assignments, quality = 0.952, support = 2.46, residual support = 12.1: * O HA GLU- 45 - HN THR 46 11.111% * 90.4295% (1.00 10.0 2.55 13.41) = 90.429% kept HA LYS+ 44 - HN THR 46 11.111% * 4.7870% (0.40 1.0 2.68 0.17) = 4.787% kept HA ASN 89 - HN THR 46 11.111% * 3.5125% (0.85 1.0 0.91 0.02) = 3.512% kept HA ILE 48 - HN THR 46 11.111% * 0.9398% (0.67 1.0 0.31 0.02) = 0.940% HB3 SER 41 - HN THR 46 11.111% * 0.0902% (1.00 1.0 0.02 0.02) = 0.090% HD3 PRO 112 - HN THR 46 11.111% * 0.0835% (0.92 1.0 0.02 0.02) = 0.083% HD3 PRO 116 - HN THR 46 11.111% * 0.0691% (0.76 1.0 0.02 0.02) = 0.069% HA2 GLY 92 - HN THR 46 11.111% * 0.0512% (0.57 1.0 0.02 0.02) = 0.051% HA VAL 13 - HN THR 46 11.111% * 0.0372% (0.41 1.0 0.02 0.02) = 0.037% Peak 717 (3.68, 8.24, 118.99 ppm): 12 chemical-shift based assignments, quality = 0.824, support = 2.02, residual support = 4.9: * O HA LYS+ 81 - HN LYS+ 81 8.333% * 92.6175% (0.83 10.0 2.14 5.29) = 92.618% kept HA ILE 48 - HN LYS+ 81 8.333% * 2.8571% (0.83 1.0 0.62 0.02) = 2.857% kept HA ILE 48 - HN THR 106 8.333% * 2.2591% (0.91 1.0 0.45 0.02) = 2.259% kept HA ASN 89 - HN THR 106 8.333% * 1.3776% (0.63 1.0 0.39 0.10) = 1.378% kept HA LYS+ 81 - HN THR 106 8.333% * 0.3942% (0.91 1.0 0.08 0.02) = 0.394% HA SER 27 - HN THR 106 8.333% * 0.0976% (0.88 1.0 0.02 0.02) = 0.098% HD2 PRO 52 - HN THR 106 8.333% * 0.0956% (0.86 1.0 0.02 0.02) = 0.096% HA SER 27 - HN LYS+ 81 8.333% * 0.0894% (0.80 1.0 0.02 0.02) = 0.089% HD2 PRO 52 - HN LYS+ 81 8.333% * 0.0876% (0.79 1.0 0.02 0.02) = 0.088% HA ASN 89 - HN LYS+ 81 8.333% * 0.0644% (0.58 1.0 0.02 0.02) = 0.064% HB2 HIS+ 4 - HN THR 106 8.333% * 0.0312% (0.28 1.0 0.02 0.02) = 0.031% HB2 HIS+ 4 - HN LYS+ 81 8.333% * 0.0286% (0.26 1.0 0.02 0.02) = 0.029% Peak 718 (1.64, 8.24, 118.99 ppm): 20 chemical-shift based assignments, quality = 0.55, support = 0.787, residual support = 1.57: HB2 HIS+ 8 - HN LYS+ 81 5.000% * 38.6942% (0.54 1.50 3.99) = 38.694% kept HB2 LEU 67 - HN THR 106 5.000% * 14.8159% (0.48 0.65 0.13) = 14.816% kept HB3 ARG+ 22 - HN LYS+ 81 5.000% * 11.8658% (0.77 0.32 0.02) = 11.866% kept HG3 ARG+ 84 - HN LYS+ 81 5.000% * 9.7729% (0.54 0.38 0.02) = 9.773% kept HB3 MET 97 - HN LYS+ 81 5.000% * 7.5016% (0.72 0.22 0.02) = 7.502% kept HB3 MET 97 - HN THR 106 5.000% * 6.6605% (0.79 0.18 0.02) = 6.660% kept HG3 ARG+ 84 - HN THR 106 5.000% * 2.6318% (0.59 0.09 0.02) = 2.632% kept HG3 LYS+ 78 - HN LYS+ 81 5.000% * 2.2935% (0.21 0.23 0.02) = 2.293% kept HG3 LYS+ 78 - HN THR 106 5.000% * 0.8392% (0.23 0.08 0.02) = 0.839% HB3 ARG+ 22 - HN THR 106 5.000% * 0.8036% (0.84 0.02 0.02) = 0.804% HB2 HIS+ 8 - HN THR 106 5.000% * 0.5631% (0.59 0.02 0.02) = 0.563% HG LEU 23 - HN THR 106 5.000% * 0.5280% (0.55 0.02 0.02) = 0.528% HG LEU 23 - HN LYS+ 81 5.000% * 0.4837% (0.50 0.02 0.02) = 0.484% HB ILE 100 - HN THR 106 5.000% * 0.4580% (0.48 0.02 0.02) = 0.458% HG12 ILE 101 - HN THR 106 5.000% * 0.4580% (0.48 0.02 0.02) = 0.458% HG12 ILE 101 - HN LYS+ 81 5.000% * 0.4196% (0.44 0.02 0.02) = 0.420% HB2 LEU 67 - HN LYS+ 81 5.000% * 0.4196% (0.44 0.02 0.02) = 0.420% HB ILE 100 - HN LYS+ 81 5.000% * 0.4196% (0.44 0.02 0.02) = 0.420% HB3 MET 126 - HN THR 106 5.000% * 0.1938% (0.20 0.02 0.02) = 0.194% HB3 MET 126 - HN LYS+ 81 5.000% * 0.1776% (0.19 0.02 0.02) = 0.178% Peak 719 (7.53, 8.24, 118.99 ppm): 2 chemical-shift based assignments, quality = 0.833, support = 2.23, residual support = 3.97: * T HN ASP- 82 - HN LYS+ 81 50.000% * 98.9203% (0.83 10.00 2.26 4.01) = 98.920% kept T HN ASP- 82 - HN THR 106 50.000% * 1.0797% (0.91 10.00 0.02 0.02) = 1.080% kept Peak 720 (8.57, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.48, support = 2.95, residual support = 6.58: * T HN VAL 80 - HN LYS+ 81 16.667% * 85.2057% (0.47 10.00 3.30 7.56) = 85.206% kept HN VAL 73 - HN LYS+ 81 16.667% * 6.2582% (0.60 1.00 1.15 1.17) = 6.258% kept HN VAL 73 - HN THR 106 16.667% * 6.1220% (0.66 1.00 1.03 0.96) = 6.122% kept T HN VAL 80 - HN THR 106 16.667% * 0.9300% (0.51 10.00 0.02 0.02) = 0.930% HN THR 39 - HN THR 106 16.667% * 0.8760% (0.48 1.00 0.20 0.02) = 0.876% HN THR 39 - HN LYS+ 81 16.667% * 0.6081% (0.44 1.00 0.15 0.02) = 0.608% Peak 721 (4.49, 8.24, 118.99 ppm): 24 chemical-shift based assignments, quality = 0.575, support = 0.947, residual support = 0.475: HA VAL 73 - HN THR 106 4.167% * 20.5948% (0.43 1.79 0.96) = 20.595% kept HA ASN 76 - HN LYS+ 81 4.167% * 16.4479% (0.83 0.75 0.22) = 16.448% kept HA VAL 73 - HN LYS+ 81 4.167% * 15.4453% (0.40 1.46 1.17) = 15.445% kept HA SER 77 - HN LYS+ 81 4.167% * 14.8479% (0.75 0.75 0.12) = 14.848% kept HA CYS 123 - HN LYS+ 81 4.167% * 9.0774% (0.80 0.43 0.02) = 9.077% kept HA ASN 89 - HN THR 106 4.167% * 5.8149% (0.56 0.39 0.10) = 5.815% kept HA LYS+ 55 - HN LYS+ 81 4.167% * 5.4336% (0.44 0.47 0.11) = 5.434% kept HA LYS+ 55 - HN THR 106 4.167% * 4.4099% (0.48 0.35 0.02) = 4.410% kept HA ALA 103 - HN LYS+ 81 4.167% * 3.3930% (0.28 0.45 0.79) = 3.393% kept HA ASN 76 - HN THR 106 4.167% * 1.8579% (0.91 0.08 0.02) = 1.858% kept HA CYS 123 - HN THR 106 4.167% * 0.4648% (0.88 0.02 0.02) = 0.465% HA SER 77 - HN THR 106 4.167% * 0.4319% (0.81 0.02 0.02) = 0.432% HA ASN 89 - HN LYS+ 81 4.167% * 0.2719% (0.51 0.02 0.02) = 0.272% HB THR 46 - HN THR 106 4.167% * 0.2534% (0.48 0.02 0.02) = 0.253% HB THR 46 - HN LYS+ 81 4.167% * 0.2321% (0.44 0.02 0.02) = 0.232% HA ALA 103 - HN THR 106 4.167% * 0.1643% (0.31 0.02 0.02) = 0.164% HA LYS+ 32 - HN THR 106 4.167% * 0.1486% (0.28 0.02 0.02) = 0.149% HA LYS+ 32 - HN LYS+ 81 4.167% * 0.1362% (0.26 0.02 0.02) = 0.136% HA PRO 86 - HN THR 106 4.167% * 0.1201% (0.23 0.02 0.02) = 0.120% HA PRO 86 - HN LYS+ 81 4.167% * 0.1100% (0.21 0.02 0.02) = 0.110% HA ILE 100 - HN THR 106 4.167% * 0.0953% (0.18 0.02 0.02) = 0.095% HA ILE 100 - HN LYS+ 81 4.167% * 0.0873% (0.16 0.02 0.02) = 0.087% HA ILE 101 - HN THR 106 4.167% * 0.0843% (0.16 0.02 0.02) = 0.084% HA ILE 101 - HN LYS+ 81 4.167% * 0.0773% (0.15 0.02 0.02) = 0.077% Peak 722 (1.72, 8.24, 118.99 ppm): 6 chemical-shift based assignments, quality = 0.832, support = 0.0795, residual support = 0.02: HB2 GLN 16 - HN THR 106 16.667% * 58.7317% (0.88 0.12 0.02) = 58.732% kept HB ILE 48 - HN THR 106 16.667% * 10.0131% (0.91 0.02 0.02) = 10.013% kept HB ILE 48 - HN LYS+ 81 16.667% * 9.1736% (0.83 0.02 0.02) = 9.174% kept HB2 GLN 16 - HN LYS+ 81 16.667% * 8.8728% (0.80 0.02 0.02) = 8.873% kept HB3 GLU- 50 - HN THR 106 16.667% * 6.8933% (0.62 0.02 0.02) = 6.893% kept HB3 GLU- 50 - HN LYS+ 81 16.667% * 6.3154% (0.57 0.02 0.02) = 6.315% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 723 (4.28, 8.24, 118.99 ppm): 30 chemical-shift based assignments, quality = 0.805, support = 2.31, residual support = 11.0: O HA THR 106 - HN THR 106 3.333% * 83.1094% (0.86 10.0 2.57 13.13) = 83.109% kept HA VAL 73 - HN THR 106 3.333% * 5.4428% (0.63 1.0 1.79 0.96) = 5.443% kept HA VAL 73 - HN LYS+ 81 3.333% * 4.0819% (0.58 1.0 1.46 1.17) = 4.082% kept HA ARG+ 84 - HN THR 106 3.333% * 1.9455% (0.69 1.0 0.58 0.02) = 1.946% kept HA ASN 89 - HN THR 106 3.333% * 1.5105% (0.80 1.0 0.39 0.10) = 1.511% kept HA SER 85 - HN THR 106 3.333% * 1.0096% (0.79 1.0 0.26 0.02) = 1.010% kept HA GLU- 75 - HN LYS+ 81 3.333% * 0.5877% (0.37 1.0 0.33 0.02) = 0.588% HA GLU- 56 - HN LYS+ 81 3.333% * 0.5471% (0.21 1.0 0.55 0.02) = 0.547% HA LEU 90 - HN LYS+ 81 3.333% * 0.3991% (0.70 1.0 0.12 0.02) = 0.399% HA GLU- 75 - HN THR 106 3.333% * 0.2964% (0.41 1.0 0.15 0.02) = 0.296% HA ALA 91 - HN THR 106 3.333% * 0.0788% (0.81 1.0 0.02 0.02) = 0.079% HD3 PRO 59 - HN THR 106 3.333% * 0.0762% (0.79 1.0 0.02 0.02) = 0.076% HA PRO 52 - HN THR 106 3.333% * 0.0762% (0.79 1.0 0.02 0.02) = 0.076% HA THR 106 - HN LYS+ 81 3.333% * 0.0761% (0.79 1.0 0.02 0.02) = 0.076% HA LEU 90 - HN THR 106 3.333% * 0.0734% (0.76 1.0 0.02 0.02) = 0.073% HA ALA 91 - HN LYS+ 81 3.333% * 0.0722% (0.75 1.0 0.02 0.02) = 0.072% HA ASN 89 - HN LYS+ 81 3.333% * 0.0706% (0.73 1.0 0.02 0.02) = 0.071% HA VAL 65 - HN THR 106 3.333% * 0.0704% (0.73 1.0 0.02 0.02) = 0.070% HA PRO 52 - HN LYS+ 81 3.333% * 0.0698% (0.72 1.0 0.02 0.02) = 0.070% HD3 PRO 59 - HN LYS+ 81 3.333% * 0.0698% (0.72 1.0 0.02 0.02) = 0.070% HA SER 85 - HN LYS+ 81 3.333% * 0.0698% (0.72 1.0 0.02 0.02) = 0.070% HA VAL 65 - HN LYS+ 81 3.333% * 0.0645% (0.67 1.0 0.02 0.02) = 0.064% HA ARG+ 84 - HN LYS+ 81 3.333% * 0.0615% (0.64 1.0 0.02 0.02) = 0.062% HA PRO 104 - HN THR 106 3.333% * 0.0330% (0.34 1.0 0.02 0.14) = 0.033% HA PRO 104 - HN LYS+ 81 3.333% * 0.0302% (0.31 1.0 0.02 0.02) = 0.030% HA GLU- 56 - HN THR 106 3.333% * 0.0219% (0.23 1.0 0.02 0.02) = 0.022% HA2 GLY 114 - HN THR 106 3.333% * 0.0154% (0.16 1.0 0.02 0.02) = 0.015% HA2 GLY 114 - HN LYS+ 81 3.333% * 0.0141% (0.15 1.0 0.02 0.02) = 0.014% HA ILE 29 - HN THR 106 3.333% * 0.0136% (0.14 1.0 0.02 0.02) = 0.014% HA ILE 29 - HN LYS+ 81 3.333% * 0.0124% (0.13 1.0 0.02 0.02) = 0.012% Peak 724 (1.48, 8.24, 118.99 ppm): 10 chemical-shift based assignments, quality = 0.453, support = 0.905, residual support = 0.396: HB3 LEU 67 - HN THR 106 10.000% * 29.6648% (0.76 0.58 0.13) = 29.665% kept HG LEU 74 - HN LYS+ 81 10.000% * 24.6518% (0.21 1.73 0.81) = 24.652% kept HG LEU 74 - HN THR 106 10.000% * 18.8783% (0.23 1.22 0.75) = 18.878% kept QB ALA 70 - HN THR 106 10.000% * 12.6880% (0.84 0.22 0.02) = 12.688% kept HB2 LYS+ 72 - HN THR 106 10.000% * 4.2851% (0.14 0.45 0.02) = 4.285% kept HB2 LYS+ 72 - HN LYS+ 81 10.000% * 4.1796% (0.13 0.48 0.02) = 4.180% kept HD3 LYS+ 108 - HN THR 106 10.000% * 3.4238% (0.20 0.25 0.26) = 3.424% kept QB ALA 70 - HN LYS+ 81 10.000% * 1.0384% (0.77 0.02 0.02) = 1.038% kept HB3 LEU 67 - HN LYS+ 81 10.000% * 0.9396% (0.70 0.02 0.02) = 0.940% HD3 LYS+ 108 - HN LYS+ 81 10.000% * 0.2504% (0.19 0.02 0.02) = 0.250% Peak 725 (7.20, 8.34, 118.74 ppm): 2 chemical-shift based assignments, quality = 0.913, support = 3.66, residual support = 12.8: * HN TRP 51 - HN GLU- 50 50.000% * 62.8565% (0.91 4.32 12.77) = 62.857% kept HH2 TRP 51 - HN GLU- 50 50.000% * 37.1435% (0.91 2.55 12.77) = 37.143% kept Peak 726 (2.35, 8.34, 118.74 ppm): 6 chemical-shift based assignments, quality = 0.815, support = 3.65, residual support = 23.4: * HG3 GLU- 50 - HN GLU- 50 16.667% * 83.3799% (0.86 4.26 27.79) = 83.380% kept HA1 GLY 58 - HN GLU- 50 16.667% * 10.0766% (0.61 0.72 2.60) = 10.077% kept HB2 HIS+ 3 - HN GLU- 50 16.667% * 5.9262% (0.64 0.41 0.02) = 5.926% kept HB2 CYS 121 - HN GLU- 50 16.667% * 0.4473% (0.98 0.02 0.02) = 0.447% HB2 TYR 83 - HN GLU- 50 16.667% * 0.1005% (0.22 0.02 0.02) = 0.100% HB2 LYS+ 78 - HN GLU- 50 16.667% * 0.0696% (0.15 0.02 0.02) = 0.070% Peak 727 (1.73, 8.34, 118.74 ppm): 6 chemical-shift based assignments, quality = 0.979, support = 3.99, residual support = 26.9: * O HB3 GLU- 50 - HN GLU- 50 16.667% * 96.6453% (0.99 10.0 4.10 27.79) = 96.645% kept HB ILE 48 - HN GLU- 50 16.667% * 3.2256% (0.72 1.0 0.92 0.33) = 3.226% kept HB2 GLN 16 - HN GLU- 50 16.667% * 0.0508% (0.52 1.0 0.02 0.02) = 0.051% HB VAL 94 - HN GLU- 50 16.667% * 0.0298% (0.31 1.0 0.02 0.02) = 0.030% HB2 HIS+ 7 - HN GLU- 50 16.667% * 0.0269% (0.27 1.0 0.02 0.02) = 0.027% HB2 ARG+ 84 - HN GLU- 50 16.667% * 0.0215% (0.22 1.0 0.02 0.02) = 0.022% Peak 728 (2.22, 8.34, 118.74 ppm): 14 chemical-shift based assignments, quality = 0.969, support = 4.35, residual support = 26.5: O HB2 GLU- 50 - HN GLU- 50 7.143% * 95.2890% (0.99 10.0 4.53 27.79) = 95.289% kept HB3 PRO 52 - HN GLU- 50 7.143% * 2.7654% (0.83 1.0 0.69 0.02) = 2.765% kept HA1 GLY 58 - HN GLU- 50 7.143% * 1.2274% (0.35 1.0 0.72 2.60) = 1.227% kept HG3 GLU- 107 - HN GLU- 50 7.143% * 0.0951% (0.99 1.0 0.02 0.02) = 0.095% HG3 GLU- 18 - HN GLU- 50 7.143% * 0.0944% (0.98 1.0 0.02 0.10) = 0.094% HG3 GLU- 109 - HN GLU- 50 7.143% * 0.0934% (0.97 1.0 0.02 0.02) = 0.093% HG3 MET 126 - HN GLU- 50 7.143% * 0.0901% (0.94 1.0 0.02 0.02) = 0.090% HG3 MET 118 - HN GLU- 50 7.143% * 0.0880% (0.91 1.0 0.02 0.02) = 0.088% HG3 GLU- 54 - HN GLU- 50 7.143% * 0.0616% (0.64 1.0 0.02 0.02) = 0.062% HG3 GLU- 75 - HN GLU- 50 7.143% * 0.0578% (0.60 1.0 0.02 0.02) = 0.058% HB2 LYS+ 113 - HN GLU- 50 7.143% * 0.0464% (0.48 1.0 0.02 0.02) = 0.046% HG3 GLU- 10 - HN GLU- 50 7.143% * 0.0325% (0.34 1.0 0.02 0.02) = 0.033% HG2 MET 126 - HN GLU- 50 7.143% * 0.0294% (0.31 1.0 0.02 0.02) = 0.029% HG2 GLU- 56 - HN GLU- 50 7.143% * 0.0294% (0.31 1.0 0.02 0.02) = 0.029% Peak 729 (4.46, 8.34, 118.74 ppm): 12 chemical-shift based assignments, quality = 0.93, support = 4.09, residual support = 26.2: O HA GLU- 50 - HN GLU- 50 8.333% * 93.5894% (0.95 10.0 4.26 27.79) = 93.589% kept HA ASN 89 - HN GLU- 50 8.333% * 5.7471% (0.65 1.0 1.81 3.94) = 5.747% kept HA ILE 101 - HN GLU- 50 8.333% * 0.0968% (0.99 1.0 0.02 0.02) = 0.097% HA ILE 100 - HN GLU- 50 8.333% * 0.0961% (0.98 1.0 0.02 0.02) = 0.096% HA PRO 86 - HN GLU- 50 8.333% * 0.0936% (0.95 1.0 0.02 0.02) = 0.094% HA LYS+ 32 - HN GLU- 50 8.333% * 0.0895% (0.91 1.0 0.02 0.02) = 0.090% HA ALA 103 - HN GLU- 50 8.333% * 0.0870% (0.89 1.0 0.02 0.02) = 0.087% HA VAL 99 - HN GLU- 50 8.333% * 0.0841% (0.86 1.0 0.02 0.02) = 0.084% HA VAL 73 - HN GLU- 50 8.333% * 0.0632% (0.64 1.0 0.02 0.02) = 0.063% HB THR 24 - HN GLU- 50 8.333% * 0.0192% (0.20 1.0 0.02 0.18) = 0.019% HA LYS+ 111 - HN GLU- 50 8.333% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% HA ASN 76 - HN GLU- 50 8.333% * 0.0170% (0.17 1.0 0.02 0.02) = 0.017% Peak 730 (3.96, 8.34, 118.74 ppm): 8 chemical-shift based assignments, quality = 0.863, support = 1.55, residual support = 3.0: HA ASN 89 - HN GLU- 50 12.500% * 74.6736% (0.97 1.81 3.94) = 74.674% kept HA LYS+ 44 - HN GLU- 50 12.500% * 13.1521% (0.97 0.32 0.25) = 13.152% kept HA ILE 48 - HN GLU- 50 12.500% * 9.5695% (0.13 1.67 0.33) = 9.570% kept HA ALA 93 - HN GLU- 50 12.500% * 0.8382% (0.98 0.02 0.02) = 0.838% HB3 SER 77 - HN GLU- 50 12.500% * 0.8174% (0.96 0.02 0.02) = 0.817% HA1 GLY 114 - HN GLU- 50 12.500% * 0.4788% (0.56 0.02 0.02) = 0.479% HB THR 95 - HN GLU- 50 12.500% * 0.2351% (0.27 0.02 0.02) = 0.235% HA1 GLY 92 - HN GLU- 50 12.500% * 0.2351% (0.27 0.02 0.02) = 0.235% 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): 7 chemical-shift based assignments, quality = 0.962, support = 2.33, residual support = 3.63: * HB2 SER 49 - HN GLU- 50 14.286% * 57.3883% (0.97 2.88 3.78) = 57.388% kept HA ASN 89 - HN GLU- 50 14.286% * 36.6859% (0.99 1.81 3.94) = 36.686% kept HA LYS+ 44 - HN GLU- 50 14.286% * 5.2627% (0.81 0.32 0.25) = 5.263% kept HA LYS+ 63 - HN GLU- 50 14.286% * 0.3393% (0.83 0.02 0.02) = 0.339% HB3 SER 85 - HN GLU- 50 14.286% * 0.1386% (0.34 0.02 0.02) = 0.139% HB3 SER 77 - HN GLU- 50 14.286% * 0.1226% (0.30 0.02 0.02) = 0.123% HA ALA 70 - HN GLU- 50 14.286% * 0.0627% (0.15 0.02 0.02) = 0.063% Peak 733 (1.53, 8.23, 118.79 ppm): 36 chemical-shift based assignments, quality = 0.54, support = 1.16, residual support = 4.07: * QG2 VAL 80 - HN LYS+ 81 2.778% * 50.3584% (0.86 1.56 7.56) = 50.358% kept HG LEU 74 - HN LYS+ 81 2.778% * 8.8931% (0.14 1.73 0.81) = 8.893% kept HG LEU 9 - HN LYS+ 81 2.778% * 5.3534% (0.77 0.18 0.02) = 5.353% kept HG3 LYS+ 72 - HN LYS+ 81 2.778% * 4.9728% (0.26 0.50 0.02) = 4.973% kept QG2 VAL 80 - HN THR 106 2.778% * 4.0690% (0.44 0.25 0.02) = 4.069% kept HB2 LYS+ 72 - HN LYS+ 81 2.778% * 3.4717% (0.19 0.48 0.02) = 3.472% kept HG LEU 74 - HN THR 106 2.778% * 3.1791% (0.07 1.22 0.75) = 3.179% kept HG3 LYS+ 72 - HN THR 106 2.778% * 2.3824% (0.13 0.47 0.02) = 2.382% kept HG3 LYS+ 72 - HN GLU- 45 2.778% * 1.7769% (0.03 1.76 4.04) = 1.777% kept HG LEU 43 - HN GLU- 45 2.778% * 1.6890% (0.05 0.85 0.02) = 1.689% kept HB2 LYS+ 72 - HN THR 106 2.778% * 1.6615% (0.10 0.45 0.02) = 1.662% kept HB3 LEU 9 - HN LYS+ 81 2.778% * 1.6597% (0.24 0.18 0.02) = 1.660% kept QG2 VAL 80 - HN GLU- 45 2.778% * 1.5708% (0.09 0.48 0.02) = 1.571% kept HG LEU 74 - HN GLU- 45 2.778% * 1.0960% (0.01 2.12 2.59) = 1.096% kept HB3 LEU 90 - HN LYS+ 81 2.778% * 1.0908% (0.24 0.12 0.02) = 1.091% kept HB2 LYS+ 72 - HN GLU- 45 2.778% * 1.0838% (0.02 1.49 4.04) = 1.084% kept HG13 ILE 29 - HN GLU- 45 2.778% * 1.0513% (0.03 0.86 1.09) = 1.051% kept HD3 LYS+ 108 - HN THR 106 2.778% * 0.6376% (0.07 0.25 0.26) = 0.638% QG2 THR 24 - HN THR 106 2.778% * 0.6367% (0.21 0.08 0.02) = 0.637% HB3 LEU 23 - HN LYS+ 81 2.778% * 0.5409% (0.72 0.02 0.02) = 0.541% HG LEU 43 - HN LYS+ 81 2.778% * 0.3928% (0.52 0.02 0.02) = 0.393% HB3 LEU 90 - HN THR 106 2.778% * 0.3584% (0.12 0.08 0.02) = 0.358% QG2 THR 24 - HN LYS+ 81 2.778% * 0.3152% (0.42 0.02 0.02) = 0.315% HG LEU 9 - HN THR 106 2.778% * 0.2959% (0.39 0.02 0.02) = 0.296% HG LEU 9 - HN GLU- 45 2.778% * 0.2958% (0.08 0.10 0.02) = 0.296% HB3 LEU 23 - HN THR 106 2.778% * 0.2756% (0.36 0.02 0.02) = 0.276% HG13 ILE 29 - HN LYS+ 81 2.778% * 0.2430% (0.32 0.02 0.02) = 0.243% HG LEU 43 - HN THR 106 2.778% * 0.2001% (0.26 0.02 0.02) = 0.200% HG13 ILE 29 - HN THR 106 2.778% * 0.1238% (0.16 0.02 0.02) = 0.124% HD3 LYS+ 108 - HN LYS+ 81 2.778% * 0.0999% (0.13 0.02 0.02) = 0.100% HB3 LEU 9 - HN THR 106 2.778% * 0.0917% (0.12 0.02 0.02) = 0.092% HB3 LEU 23 - HN GLU- 45 2.778% * 0.0546% (0.07 0.02 0.02) = 0.055% QG2 THR 24 - HN GLU- 45 2.778% * 0.0318% (0.04 0.02 0.02) = 0.032% HB3 LEU 9 - HN GLU- 45 2.778% * 0.0182% (0.02 0.02 0.02) = 0.018% HB3 LEU 90 - HN GLU- 45 2.778% * 0.0182% (0.02 0.02 0.02) = 0.018% HD3 LYS+ 108 - HN GLU- 45 2.778% * 0.0101% (0.01 0.02 0.02) = 0.010% Peak 734 (4.50, 8.23, 118.79 ppm): 24 chemical-shift based assignments, quality = 0.531, support = 0.983, residual support = 1.09: HA SER 77 - HN LYS+ 81 4.167% * 18.3587% (0.86 0.75 0.12) = 18.359% kept HA ASN 76 - HN LYS+ 81 4.167% * 15.8561% (0.74 0.75 0.22) = 15.856% kept HA VAL 73 - HN LYS+ 81 4.167% * 15.7003% (0.38 1.46 1.17) = 15.700% kept HA CYS 123 - HN LYS+ 81 4.167% * 10.2236% (0.84 0.43 0.02) = 10.224% kept HA VAL 73 - HN THR 106 4.167% * 9.7725% (0.19 1.79 0.96) = 9.772% kept HA LYS+ 55 - HN LYS+ 81 4.167% * 9.1702% (0.69 0.47 0.11) = 9.170% kept HB THR 46 - HN GLU- 45 4.167% * 4.6170% (0.07 2.34 13.41) = 4.617% kept HA LYS+ 55 - HN THR 106 4.167% * 3.4741% (0.35 0.35 0.02) = 3.474% kept HA ASN 89 - HN GLU- 45 4.167% * 3.3885% (0.05 2.26 3.00) = 3.389% kept HA ASN 89 - HN THR 106 4.167% * 2.9628% (0.26 0.39 0.10) = 2.963% kept HA ALA 103 - HN LYS+ 81 4.167% * 1.7019% (0.13 0.45 0.79) = 1.702% kept HA LYS+ 55 - HN GLU- 45 4.167% * 1.2233% (0.07 0.62 0.02) = 1.223% kept HA VAL 73 - HN GLU- 45 4.167% * 1.1464% (0.04 1.06 0.02) = 1.146% kept HA ASN 76 - HN THR 106 4.167% * 0.8361% (0.38 0.08 0.02) = 0.836% HB THR 46 - HN LYS+ 81 4.167% * 0.3918% (0.69 0.02 0.02) = 0.392% HA ASN 89 - HN LYS+ 81 4.167% * 0.2968% (0.52 0.02 0.02) = 0.297% HA SER 77 - HN THR 106 4.167% * 0.2493% (0.44 0.02 0.02) = 0.249% HA CYS 123 - HN THR 106 4.167% * 0.2444% (0.43 0.02 0.02) = 0.244% HB THR 46 - HN THR 106 4.167% * 0.1996% (0.35 0.02 0.02) = 0.200% HA SER 77 - HN GLU- 45 4.167% * 0.0494% (0.09 0.02 0.02) = 0.049% HA CYS 123 - HN GLU- 45 4.167% * 0.0484% (0.08 0.02 0.02) = 0.048% HA ASN 76 - HN GLU- 45 4.167% * 0.0428% (0.08 0.02 0.02) = 0.043% HA ALA 103 - HN THR 106 4.167% * 0.0385% (0.07 0.02 0.02) = 0.038% HA ALA 103 - HN GLU- 45 4.167% * 0.0076% (0.01 0.02 0.02) = 0.008% Peak 735 (2.25, 8.23, 118.79 ppm): 21 chemical-shift based assignments, quality = 0.72, support = 1.85, residual support = 5.57: * HB VAL 80 - HN LYS+ 81 4.762% * 72.8839% (0.85 2.36 7.56) = 72.884% kept HG2 GLU- 56 - HN LYS+ 81 4.762% * 12.3422% (0.62 0.55 0.02) = 12.342% kept HG3 GLU- 75 - HN LYS+ 81 4.762% * 4.1747% (0.35 0.33 0.02) = 4.175% kept HG2 GLU- 56 - HN THR 106 4.762% * 1.8978% (0.32 0.16 0.02) = 1.898% kept HA1 GLY 58 - HN GLU- 45 4.762% * 1.8672% (0.04 1.41 2.31) = 1.867% kept HB VAL 80 - HN GLU- 45 4.762% * 1.3605% (0.09 0.44 0.02) = 1.360% kept HG3 GLU- 75 - HN GLU- 45 4.762% * 1.1558% (0.04 0.89 0.02) = 1.156% kept HG2 GLU- 56 - HN GLU- 45 4.762% * 1.0548% (0.06 0.46 0.62) = 1.055% kept HG3 GLU- 75 - HN THR 106 4.762% * 0.9830% (0.18 0.15 0.02) = 0.983% HG3 GLU- 10 - HN GLU- 45 4.762% * 0.5433% (0.06 0.25 0.02) = 0.543% HG3 GLU- 10 - HN LYS+ 81 4.762% * 0.4283% (0.59 0.02 0.02) = 0.428% HB VAL 80 - HN THR 106 4.762% * 0.3149% (0.43 0.02 0.02) = 0.315% HA1 GLY 58 - HN LYS+ 81 4.762% * 0.2629% (0.36 0.02 0.02) = 0.263% HG3 GLU- 10 - HN THR 106 4.762% * 0.2182% (0.30 0.02 0.02) = 0.218% HB3 PRO 52 - HN LYS+ 81 4.762% * 0.1388% (0.19 0.02 0.02) = 0.139% HA1 GLY 58 - HN THR 106 4.762% * 0.1339% (0.18 0.02 0.02) = 0.134% HG3 MET 118 - HN LYS+ 81 4.762% * 0.0962% (0.13 0.02 0.02) = 0.096% HB3 PRO 52 - HN THR 106 4.762% * 0.0707% (0.10 0.02 0.02) = 0.071% HG3 MET 118 - HN THR 106 4.762% * 0.0490% (0.07 0.02 0.02) = 0.049% HB3 PRO 52 - HN GLU- 45 4.762% * 0.0140% (0.02 0.02 0.02) = 0.014% HG3 MET 118 - HN GLU- 45 4.762% * 0.0097% (0.01 0.02 0.02) = 0.010% Peak 736 (4.27, 8.23, 118.79 ppm): 48 chemical-shift based assignments, quality = 0.283, support = 1.87, residual support = 7.66: O HA THR 106 - HN THR 106 2.083% * 56.2723% (0.20 10.0 2.57 13.13) = 56.272% kept HA VAL 73 - HN LYS+ 81 2.083% * 10.9816% (0.52 1.0 1.46 1.17) = 10.982% kept HA VAL 73 - HN THR 106 2.083% * 6.8353% (0.27 1.0 1.79 0.96) = 6.835% kept HA GLU- 56 - HN LYS+ 81 2.083% * 5.1318% (0.66 1.0 0.55 0.02) = 5.132% kept HA GLU- 75 - HN LYS+ 81 2.083% * 3.7951% (0.81 1.0 0.33 0.02) = 3.795% kept HA ARG+ 84 - HN THR 106 2.083% * 3.5648% (0.43 1.0 0.58 0.02) = 3.565% kept HA ASN 89 - HN GLU- 45 2.083% * 2.5073% (0.08 1.0 2.26 3.00) = 2.507% kept HA ASN 89 - HN THR 106 2.083% * 2.1923% (0.39 1.0 0.39 0.10) = 2.192% kept HA SER 85 - HN THR 106 2.083% * 1.5349% (0.40 1.0 0.26 0.02) = 1.535% kept HD3 PRO 59 - HN GLU- 45 2.083% * 1.2974% (0.08 1.0 1.13 0.02) = 1.297% kept HA GLU- 75 - HN THR 106 2.083% * 0.8936% (0.41 1.0 0.15 0.02) = 0.894% HA VAL 73 - HN GLU- 45 2.083% * 0.8018% (0.05 1.0 1.06 0.02) = 0.802% HA PRO 59 - HN GLU- 45 2.083% * 0.5090% (0.03 1.0 1.20 0.02) = 0.509% HA LEU 90 - HN LYS+ 81 2.083% * 0.4513% (0.26 1.0 0.12 0.02) = 0.451% HA ARG+ 84 - HN LYS+ 81 2.083% * 0.2415% (0.84 1.0 0.02 0.02) = 0.241% HA VAL 65 - HN LYS+ 81 2.083% * 0.2377% (0.83 1.0 0.02 0.02) = 0.238% HD3 PRO 59 - HN LYS+ 81 2.083% * 0.2274% (0.79 1.0 0.02 0.02) = 0.227% HA PRO 52 - HN LYS+ 81 2.083% * 0.2274% (0.79 1.0 0.02 0.02) = 0.227% HA SER 85 - HN LYS+ 81 2.083% * 0.2274% (0.79 1.0 0.02 0.02) = 0.227% HA ALA 91 - HN LYS+ 81 2.083% * 0.2209% (0.77 1.0 0.02 0.02) = 0.221% HA ASN 89 - HN LYS+ 81 2.083% * 0.2196% (0.76 1.0 0.02 0.02) = 0.220% HA2 GLY 114 - HN LYS+ 81 2.083% * 0.1594% (0.55 1.0 0.02 0.02) = 0.159% HA HIS+ 4 - HN LYS+ 81 2.083% * 0.1296% (0.45 1.0 0.02 0.02) = 0.130% HA VAL 65 - HN THR 106 2.083% * 0.1211% (0.42 1.0 0.02 0.02) = 0.121% HA PRO 52 - HN THR 106 2.083% * 0.1159% (0.40 1.0 0.02 0.02) = 0.116% HD3 PRO 59 - HN THR 106 2.083% * 0.1159% (0.40 1.0 0.02 0.02) = 0.116% HA ALA 91 - HN THR 106 2.083% * 0.1126% (0.39 1.0 0.02 0.02) = 0.113% HA THR 106 - HN LYS+ 81 2.083% * 0.1104% (0.38 1.0 0.02 0.02) = 0.110% HA GLU- 56 - HN THR 106 2.083% * 0.0959% (0.33 1.0 0.02 0.02) = 0.096% HA LYS+ 108 - HN LYS+ 81 2.083% * 0.0925% (0.32 1.0 0.02 0.02) = 0.092% HA PRO 59 - HN LYS+ 81 2.083% * 0.0840% (0.29 1.0 0.02 0.02) = 0.084% HA2 GLY 114 - HN THR 106 2.083% * 0.0812% (0.28 1.0 0.02 0.02) = 0.081% HA HIS+ 4 - HN THR 106 2.083% * 0.0660% (0.23 1.0 0.02 0.02) = 0.066% HA LYS+ 108 - HN THR 106 2.083% * 0.0471% (0.16 1.0 0.02 0.26) = 0.047% HA PRO 59 - HN THR 106 2.083% * 0.0428% (0.15 1.0 0.02 0.02) = 0.043% HA LEU 90 - HN THR 106 2.083% * 0.0387% (0.13 1.0 0.02 0.02) = 0.039% HA ARG+ 84 - HN GLU- 45 2.083% * 0.0244% (0.08 1.0 0.02 0.02) = 0.024% HA VAL 65 - HN GLU- 45 2.083% * 0.0240% (0.08 1.0 0.02 0.02) = 0.024% HA GLU- 75 - HN GLU- 45 2.083% * 0.0235% (0.08 1.0 0.02 0.02) = 0.024% HA SER 85 - HN GLU- 45 2.083% * 0.0229% (0.08 1.0 0.02 0.02) = 0.023% HA PRO 52 - HN GLU- 45 2.083% * 0.0229% (0.08 1.0 0.02 0.02) = 0.023% HA ALA 91 - HN GLU- 45 2.083% * 0.0223% (0.08 1.0 0.02 0.02) = 0.022% HA GLU- 56 - HN GLU- 45 2.083% * 0.0190% (0.07 1.0 0.02 0.62) = 0.019% HA2 GLY 114 - HN GLU- 45 2.083% * 0.0161% (0.06 1.0 0.02 0.02) = 0.016% HA HIS+ 4 - HN GLU- 45 2.083% * 0.0131% (0.05 1.0 0.02 0.02) = 0.013% HA THR 106 - HN GLU- 45 2.083% * 0.0111% (0.04 1.0 0.02 0.02) = 0.011% HA LYS+ 108 - HN GLU- 45 2.083% * 0.0093% (0.03 1.0 0.02 0.02) = 0.009% HA LEU 90 - HN GLU- 45 2.083% * 0.0077% (0.03 1.0 0.02 0.02) = 0.008% Peak 737 (2.49, 8.23, 118.79 ppm): 15 chemical-shift based assignments, quality = 0.846, support = 1.68, residual support = 5.22: * O HB3 LYS+ 81 - HN LYS+ 81 6.667% * 98.6063% (0.86 10.0 1.71 5.29) = 98.606% kept HA1 GLY 58 - HN GLU- 45 6.667% * 0.7219% (0.08 1.0 1.41 2.31) = 0.722% HB3 LYS+ 81 - HN THR 106 6.667% * 0.2293% (0.44 1.0 0.08 0.02) = 0.229% HG3 PRO 35 - HN LYS+ 81 6.667% * 0.1092% (0.81 1.0 0.02 0.02) = 0.109% HA1 GLY 58 - HN LYS+ 81 6.667% * 0.1016% (0.76 1.0 0.02 0.02) = 0.102% HG3 PRO 35 - HN THR 106 6.667% * 0.0556% (0.41 1.0 0.02 0.02) = 0.056% HA1 GLY 58 - HN THR 106 6.667% * 0.0518% (0.38 1.0 0.02 0.02) = 0.052% HB VAL 40 - HN LYS+ 81 6.667% * 0.0474% (0.35 1.0 0.02 0.02) = 0.047% HB VAL 40 - HN THR 106 6.667% * 0.0242% (0.18 1.0 0.02 0.02) = 0.024% HB2 ASP- 36 - HN LYS+ 81 6.667% * 0.0156% (0.12 1.0 0.02 0.02) = 0.016% HB3 LYS+ 81 - HN GLU- 45 6.667% * 0.0116% (0.09 1.0 0.02 0.02) = 0.012% HG3 PRO 35 - HN GLU- 45 6.667% * 0.0110% (0.08 1.0 0.02 0.02) = 0.011% HB2 ASP- 36 - HN THR 106 6.667% * 0.0080% (0.06 1.0 0.02 0.02) = 0.008% HB VAL 40 - HN GLU- 45 6.667% * 0.0048% (0.04 1.0 0.02 0.02) = 0.005% HB2 ASP- 36 - HN GLU- 45 6.667% * 0.0016% (0.01 1.0 0.02 0.02) = 0.002% Peak 738 (1.98, 8.23, 118.79 ppm): 36 chemical-shift based assignments, quality = 0.273, support = 1.34, residual support = 2.92: HB VAL 105 - HN THR 106 2.778% * 34.5110% (0.12 3.02 8.23) = 34.511% kept HG3 PRO 104 - HN THR 106 2.778% * 21.4236% (0.33 0.68 0.14) = 21.424% kept HB2 LYS+ 108 - HN THR 106 2.778% * 17.8953% (0.43 0.44 0.26) = 17.895% kept HG3 PRO 104 - HN LYS+ 81 2.778% * 8.7872% (0.66 0.14 0.02) = 8.787% kept HB3 GLU- 75 - HN LYS+ 81 2.778% * 4.0758% (0.13 0.33 0.02) = 4.076% kept HB3 GLU- 75 - HN GLU- 45 2.778% * 2.3624% (0.01 1.87 0.02) = 2.362% kept HB VAL 122 - HN LYS+ 81 2.778% * 2.1842% (0.21 0.11 0.02) = 2.184% kept HB2 LYS+ 108 - HN LYS+ 81 2.778% * 1.5986% (0.85 0.02 0.02) = 1.599% kept HB3 GLU- 75 - HN THR 106 2.778% * 0.9597% (0.07 0.15 0.02) = 0.960% HB3 GLU- 109 - HN THR 106 2.778% * 0.9050% (0.12 0.08 0.02) = 0.905% HG2 PRO 86 - HN LYS+ 81 2.778% * 0.6053% (0.32 0.02 0.02) = 0.605% HB2 HIS+ 14 - HN LYS+ 81 2.778% * 0.4978% (0.26 0.02 0.02) = 0.498% HB VAL 105 - HN LYS+ 81 2.778% * 0.4484% (0.24 0.02 0.02) = 0.448% HB3 GLU- 109 - HN LYS+ 81 2.778% * 0.4484% (0.24 0.02 0.02) = 0.448% HB2 GLU- 18 - HN LYS+ 81 2.778% * 0.3591% (0.19 0.02 0.02) = 0.359% HB VAL 13 - HN LYS+ 81 2.778% * 0.3192% (0.17 0.02 0.02) = 0.319% HG2 PRO 86 - HN THR 106 2.778% * 0.3084% (0.16 0.02 0.02) = 0.308% HG2 GLU- 64 - HN LYS+ 81 2.778% * 0.2825% (0.15 0.02 0.02) = 0.282% HG3 PRO 116 - HN LYS+ 81 2.778% * 0.2825% (0.15 0.02 0.02) = 0.282% HB2 HIS+ 14 - HN THR 106 2.778% * 0.2536% (0.13 0.02 0.02) = 0.254% HB VAL 122 - HN THR 106 2.778% * 0.2049% (0.11 0.02 0.02) = 0.205% HB2 GLU- 18 - HN THR 106 2.778% * 0.1830% (0.10 0.02 0.02) = 0.183% HB VAL 13 - HN THR 106 2.778% * 0.1626% (0.09 0.02 0.02) = 0.163% HB2 LYS+ 108 - HN GLU- 45 2.778% * 0.1613% (0.09 0.02 0.02) = 0.161% HG2 GLU- 64 - HN THR 106 2.778% * 0.1439% (0.08 0.02 0.02) = 0.144% HG3 PRO 116 - HN THR 106 2.778% * 0.1439% (0.08 0.02 0.02) = 0.144% HG3 PRO 104 - HN GLU- 45 2.778% * 0.1244% (0.07 0.02 0.02) = 0.124% HG2 PRO 86 - HN GLU- 45 2.778% * 0.0611% (0.03 0.02 0.02) = 0.061% HB2 HIS+ 14 - HN GLU- 45 2.778% * 0.0502% (0.03 0.02 0.02) = 0.050% HB VAL 105 - HN GLU- 45 2.778% * 0.0453% (0.02 0.02 0.02) = 0.045% HB3 GLU- 109 - HN GLU- 45 2.778% * 0.0453% (0.02 0.02 0.02) = 0.045% HB VAL 122 - HN GLU- 45 2.778% * 0.0406% (0.02 0.02 0.02) = 0.041% HB2 GLU- 18 - HN GLU- 45 2.778% * 0.0362% (0.02 0.02 0.02) = 0.036% HB VAL 13 - HN GLU- 45 2.778% * 0.0322% (0.02 0.02 0.02) = 0.032% HG3 PRO 116 - HN GLU- 45 2.778% * 0.0285% (0.02 0.02 0.02) = 0.029% HG2 GLU- 64 - HN GLU- 45 2.778% * 0.0285% (0.02 0.02 0.02) = 0.029% Peak 739 (0.94, 8.23, 118.79 ppm): 30 chemical-shift based assignments, quality = 0.444, support = 1.51, residual support = 2.4: * QG1 VAL 105 - HN THR 106 3.333% * 21.5909% (0.44 2.39 8.23) = 21.591% kept HG LEU 74 - HN LYS+ 81 3.333% * 20.2965% (0.57 1.73 0.81) = 20.296% kept QG2 VAL 62 - HN LYS+ 81 3.333% * 17.9605% (0.72 1.21 0.33) = 17.960% kept QG2 VAL 73 - HN LYS+ 81 3.333% * 11.0249% (0.52 1.02 1.17) = 11.025% kept HG LEU 74 - HN THR 106 3.333% * 7.2555% (0.29 1.22 0.75) = 7.256% kept QG2 VAL 73 - HN THR 106 3.333% * 5.1942% (0.26 0.95 0.96) = 5.194% kept HG LEU 74 - HN GLU- 45 3.333% * 2.5014% (0.06 2.12 2.59) = 2.501% kept HG12 ILE 29 - HN GLU- 45 3.333% * 2.2929% (0.08 1.48 1.09) = 2.293% kept HG12 ILE 68 - HN THR 106 3.333% * 2.0652% (0.33 0.30 0.02) = 2.065% kept HG3 LYS+ 63 - HN GLU- 45 3.333% * 1.8731% (0.06 1.62 2.09) = 1.873% kept QG2 ILE 29 - HN GLU- 45 3.333% * 1.6221% (0.07 1.18 1.09) = 1.622% kept QG2 VAL 62 - HN GLU- 45 3.333% * 1.5467% (0.07 1.03 0.84) = 1.547% kept QG2 VAL 73 - HN GLU- 45 3.333% * 1.3671% (0.05 1.26 0.02) = 1.367% kept HG12 ILE 68 - HN GLU- 45 3.333% * 0.4330% (0.07 0.32 0.02) = 0.433% QG1 VAL 105 - HN LYS+ 81 3.333% * 0.3552% (0.86 0.02 0.02) = 0.355% QD1 LEU 17 - HN LYS+ 81 3.333% * 0.3544% (0.86 0.02 0.02) = 0.354% HG12 ILE 29 - HN LYS+ 81 3.333% * 0.3081% (0.74 0.02 0.02) = 0.308% QG2 ILE 29 - HN LYS+ 81 3.333% * 0.2714% (0.66 0.02 0.02) = 0.271% HG12 ILE 68 - HN LYS+ 81 3.333% * 0.2714% (0.66 0.02 0.02) = 0.271% HG3 LYS+ 63 - HN LYS+ 81 3.333% * 0.2298% (0.55 0.02 0.02) = 0.230% QG2 VAL 99 - HN LYS+ 81 3.333% * 0.2298% (0.55 0.02 0.02) = 0.230% QD1 LEU 17 - HN THR 106 3.333% * 0.1806% (0.44 0.02 0.02) = 0.181% HG12 ILE 29 - HN THR 106 3.333% * 0.1570% (0.38 0.02 0.02) = 0.157% QG2 VAL 62 - HN THR 106 3.333% * 0.1512% (0.36 0.02 0.02) = 0.151% QG2 ILE 29 - HN THR 106 3.333% * 0.1383% (0.33 0.02 0.02) = 0.138% HG3 LYS+ 63 - HN THR 106 3.333% * 0.1171% (0.28 0.02 0.02) = 0.117% QG2 VAL 99 - HN THR 106 3.333% * 0.1171% (0.28 0.02 0.02) = 0.117% QG1 VAL 105 - HN GLU- 45 3.333% * 0.0358% (0.09 0.02 0.02) = 0.036% QD1 LEU 17 - HN GLU- 45 3.333% * 0.0358% (0.09 0.02 0.02) = 0.036% QG2 VAL 99 - HN GLU- 45 3.333% * 0.0232% (0.06 0.02 0.02) = 0.023% Peak 740 (1.44, 8.23, 118.79 ppm): 30 chemical-shift based assignments, quality = 0.431, support = 0.97, residual support = 0.91: HG3 LYS+ 55 - HN LYS+ 81 3.333% * 27.8220% (0.77 0.66 0.11) = 27.822% kept HG LEU 74 - HN LYS+ 81 3.333% * 27.4395% (0.29 1.73 0.81) = 27.439% kept HG LEU 74 - HN THR 106 3.333% * 9.8090% (0.15 1.22 0.75) = 9.809% kept HG LEU 90 - HN LYS+ 81 3.333% * 5.5489% (0.86 0.12 0.02) = 5.549% kept HG3 LYS+ 55 - HN THR 106 3.333% * 5.3917% (0.39 0.25 0.02) = 5.392% kept HD3 LYS+ 44 - HN GLU- 45 3.333% * 4.3257% (0.05 1.62 11.32) = 4.326% kept QG2 THR 38 - HN LYS+ 81 3.333% * 4.0732% (0.17 0.44 0.02) = 4.073% kept HB3 LYS+ 60 - HN LYS+ 81 3.333% * 4.0437% (0.86 0.09 0.02) = 4.044% kept HG LEU 74 - HN GLU- 45 3.333% * 3.3818% (0.03 2.12 2.59) = 3.382% kept HG LEU 90 - HN THR 106 3.333% * 1.8232% (0.44 0.08 0.02) = 1.823% kept HG3 LYS+ 55 - HN GLU- 45 3.333% * 1.7413% (0.08 0.41 0.02) = 1.741% kept HD3 LYS+ 113 - HN LYS+ 81 3.333% * 0.8127% (0.74 0.02 0.02) = 0.813% HG3 LYS+ 108 - HN LYS+ 81 3.333% * 0.5304% (0.49 0.02 0.02) = 0.530% HD3 LYS+ 44 - HN LYS+ 81 3.333% * 0.5304% (0.49 0.02 0.02) = 0.530% HB3 LYS+ 60 - HN THR 106 3.333% * 0.4763% (0.44 0.02 0.02) = 0.476% HD3 LYS+ 113 - HN THR 106 3.333% * 0.4141% (0.38 0.02 0.02) = 0.414% HG3 LYS+ 108 - HN GLU- 45 3.333% * 0.3804% (0.05 0.14 0.02) = 0.380% HD3 LYS+ 44 - HN THR 106 3.333% * 0.2703% (0.25 0.02 0.02) = 0.270% HG3 LYS+ 108 - HN THR 106 3.333% * 0.2703% (0.25 0.02 0.26) = 0.270% QB ALA 37 - HN LYS+ 81 3.333% * 0.1854% (0.17 0.02 0.02) = 0.185% QB ALA 42 - HN LYS+ 81 3.333% * 0.1446% (0.13 0.02 0.02) = 0.145% QB ALA 37 - HN THR 106 3.333% * 0.0945% (0.09 0.02 0.02) = 0.094% QG2 THR 38 - HN THR 106 3.333% * 0.0945% (0.09 0.02 0.02) = 0.094% HG LEU 90 - HN GLU- 45 3.333% * 0.0943% (0.09 0.02 0.02) = 0.094% HB3 LYS+ 60 - HN GLU- 45 3.333% * 0.0943% (0.09 0.02 0.02) = 0.094% HD3 LYS+ 113 - HN GLU- 45 3.333% * 0.0820% (0.08 0.02 0.02) = 0.082% QB ALA 42 - HN THR 106 3.333% * 0.0737% (0.07 0.02 0.02) = 0.074% QG2 THR 38 - HN GLU- 45 3.333% * 0.0187% (0.02 0.02 0.02) = 0.019% QB ALA 37 - HN GLU- 45 3.333% * 0.0187% (0.02 0.02 0.02) = 0.019% QB ALA 42 - HN GLU- 45 3.333% * 0.0146% (0.01 0.02 0.02) = 0.015% 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): 11 chemical-shift based assignments, quality = 0.896, support = 0.445, residual support = 0.0909: QG2 ILE 48 - HN VAL 65 9.091% * 22.2420% (0.83 0.59 0.02) = 22.242% kept HG2 PRO 59 - HN VAL 65 9.091% * 21.0875% (0.99 0.47 0.11) = 21.088% kept QG2 ILE 101 - HN VAL 65 9.091% * 19.1593% (0.92 0.46 0.30) = 19.159% kept HB2 LEU 9 - HN VAL 65 9.091% * 16.3827% (0.99 0.37 0.02) = 16.383% kept HG LEU 67 - HN VAL 65 9.091% * 16.1030% (0.98 0.37 0.02) = 16.103% kept QD2 LEU 9 - HN VAL 65 9.091% * 2.4582% (0.20 0.28 0.02) = 2.458% kept QD1 ILE 68 - HN VAL 65 9.091% * 0.7717% (0.20 0.09 0.02) = 0.772% QD1 ILE 19 - HN VAL 65 9.091% * 0.5460% (0.61 0.02 0.02) = 0.546% QG2 VAL 94 - HN VAL 65 9.091% * 0.4736% (0.53 0.02 0.02) = 0.474% HG12 ILE 19 - HN VAL 65 9.091% * 0.4381% (0.49 0.02 0.02) = 0.438% QG2 VAL 40 - HN VAL 65 9.091% * 0.3378% (0.37 0.02 0.02) = 0.338% Peak 743 (2.00, 7.57, 118.56 ppm): 13 chemical-shift based assignments, quality = 0.732, support = 2.12, residual support = 6.75: * HG2 GLU- 64 - HN VAL 65 7.692% * 53.5853% (0.65 2.70 11.50) = 53.585% kept HG2 PRO 86 - HN VAL 65 7.692% * 43.0725% (0.90 1.56 1.36) = 43.073% kept HB2 HIS+ 14 - HN VAL 65 7.692% * 0.5127% (0.83 0.02 0.02) = 0.513% HB VAL 105 - HN VAL 65 7.692% * 0.4915% (0.80 0.02 0.02) = 0.491% HB2 GLU- 18 - HN VAL 65 7.692% * 0.4457% (0.73 0.02 0.02) = 0.446% HB2 LYS+ 108 - HN VAL 65 7.692% * 0.4457% (0.73 0.02 0.02) = 0.446% HG2 PRO 116 - HN VAL 65 7.692% * 0.2988% (0.49 0.02 0.02) = 0.299% HB3 PRO 112 - HN VAL 65 7.692% * 0.2752% (0.45 0.02 0.02) = 0.275% HB2 PRO 112 - HN VAL 65 7.692% * 0.2304% (0.37 0.02 0.02) = 0.230% HB2 LYS+ 44 - HN VAL 65 7.692% * 0.1707% (0.28 0.02 0.02) = 0.171% HB3 PRO 31 - HN VAL 65 7.692% * 0.1707% (0.28 0.02 0.02) = 0.171% HG3 PRO 104 - HN VAL 65 7.692% * 0.1530% (0.25 0.02 0.02) = 0.153% HB3 GLU- 75 - HN VAL 65 7.692% * 0.1479% (0.24 0.02 0.02) = 0.148% Peak 744 (7.39, 7.57, 118.56 ppm): 3 chemical-shift based assignments, quality = 0.922, support = 2.48, residual support = 11.5: * T HN GLU- 64 - HN VAL 65 33.333% * 99.9516% (0.92 10.00 2.48 11.50) = 99.952% kept HE ARG+ 53 - HN VAL 65 33.333% * 0.0270% (0.25 1.00 0.02 0.02) = 0.027% HE22 GLN 102 - HN VAL 65 33.333% * 0.0214% (0.20 1.00 0.02 0.02) = 0.021% Peak 745 (4.19, 7.57, 118.56 ppm): 13 chemical-shift based assignments, quality = 0.993, support = 2.95, residual support = 11.4: * O HA GLU- 64 - HN VAL 65 7.692% * 99.4185% (1.00 10.0 2.96 11.50) = 99.419% kept HA ASN 89 - HN VAL 65 7.692% * 0.0946% (0.95 1.0 0.02 0.02) = 0.095% HA ASP- 82 - HN VAL 65 7.692% * 0.0892% (0.90 1.0 0.02 0.02) = 0.089% HA MET 126 - HN VAL 65 7.692% * 0.0892% (0.90 1.0 0.02 0.02) = 0.089% HA GLU- 109 - HN VAL 65 7.692% * 0.0643% (0.65 1.0 0.02 0.02) = 0.064% HB3 HIS+ 14 - HN VAL 65 7.692% * 0.0563% (0.57 1.0 0.02 0.02) = 0.056% HA ALA 11 - HN VAL 65 7.692% * 0.0446% (0.45 1.0 0.02 0.02) = 0.045% HA GLU- 12 - HN VAL 65 7.692% * 0.0276% (0.28 1.0 0.02 0.02) = 0.028% HA LYS+ 44 - HN VAL 65 7.692% * 0.0265% (0.27 1.0 0.02 0.02) = 0.026% HB3 SER 49 - HN VAL 65 7.692% * 0.0248% (0.25 1.0 0.02 0.02) = 0.025% HA VAL 73 - HN VAL 65 7.692% * 0.0226% (0.23 1.0 0.02 0.02) = 0.023% HA LYS+ 110 - HN VAL 65 7.692% * 0.0221% (0.22 1.0 0.02 0.02) = 0.022% HA ALA 42 - HN VAL 65 7.692% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% Peak 746 (4.27, 7.57, 118.56 ppm): 16 chemical-shift based assignments, quality = 0.99, support = 2.13, residual support = 3.36: * O HA VAL 65 - HN VAL 65 6.250% * 95.3855% (1.00 10.0 2.22 3.52) = 95.385% kept HA SER 85 - HN VAL 65 6.250% * 2.1471% (0.99 1.0 0.45 0.02) = 2.147% kept HD3 PRO 59 - HN VAL 65 6.250% * 1.6738% (0.99 1.0 0.35 0.11) = 1.674% kept HA ARG+ 84 - HN VAL 65 6.250% * 0.0952% (1.00 1.0 0.02 0.02) = 0.095% HA PRO 52 - HN VAL 65 6.250% * 0.0945% (0.99 1.0 0.02 0.02) = 0.095% HA ALA 91 - HN VAL 65 6.250% * 0.0935% (0.98 1.0 0.02 0.02) = 0.093% HA ASN 89 - HN VAL 65 6.250% * 0.0847% (0.89 1.0 0.02 0.02) = 0.085% HA GLU- 75 - HN VAL 65 6.250% * 0.0797% (0.83 1.0 0.02 0.02) = 0.080% HA VAL 73 - HN VAL 65 6.250% * 0.0604% (0.63 1.0 0.02 0.02) = 0.060% HA GLU- 56 - HN VAL 65 6.250% * 0.0579% (0.61 1.0 0.02 0.02) = 0.058% HA THR 106 - HN VAL 65 6.250% * 0.0579% (0.61 1.0 0.02 0.02) = 0.058% HA2 GLY 114 - HN VAL 65 6.250% * 0.0464% (0.49 1.0 0.02 0.02) = 0.046% HA LEU 90 - HN VAL 65 6.250% * 0.0428% (0.45 1.0 0.02 0.02) = 0.043% HA HIS+ 4 - HN VAL 65 6.250% * 0.0358% (0.37 1.0 0.02 0.02) = 0.036% HA LYS+ 108 - HN VAL 65 6.250% * 0.0238% (0.25 1.0 0.02 0.02) = 0.024% HA PRO 59 - HN VAL 65 6.250% * 0.0212% (0.22 1.0 0.02 0.11) = 0.021% Peak 747 (2.10, 7.57, 118.56 ppm): 11 chemical-shift based assignments, quality = 0.985, support = 1.61, residual support = 3.4: * O HB VAL 65 - HN VAL 65 9.091% * 96.5205% (1.00 10.0 1.66 3.52) = 96.520% kept HB VAL 87 - HN VAL 65 9.091% * 2.1467% (1.00 1.0 0.37 0.02) = 2.147% kept HA1 GLY 58 - HN VAL 65 9.091% * 0.6424% (0.19 1.0 0.60 0.02) = 0.642% HB3 GLU- 75 - HN VAL 65 9.091% * 0.1158% (1.00 1.0 0.02 0.02) = 0.116% HB VAL 125 - HN VAL 65 9.091% * 0.1006% (0.87 1.0 0.02 0.02) = 0.101% HB2 LEU 43 - HN VAL 65 9.091% * 0.0969% (0.83 1.0 0.02 0.02) = 0.097% HB2 LYS+ 110 - HN VAL 65 9.091% * 0.0887% (0.76 1.0 0.02 0.02) = 0.089% HB3 LEU 43 - HN VAL 65 9.091% * 0.0887% (0.76 1.0 0.02 0.02) = 0.089% HG3 GLU- 56 - HN VAL 65 9.091% * 0.0843% (0.73 1.0 0.02 0.02) = 0.084% HD3 LYS+ 110 - HN VAL 65 9.091% * 0.0797% (0.69 1.0 0.02 0.02) = 0.080% HB3 LYS+ 120 - HN VAL 65 9.091% * 0.0358% (0.31 1.0 0.02 0.02) = 0.036% Peak 748 (2.31, 7.57, 118.56 ppm): 5 chemical-shift based assignments, quality = 0.884, support = 2.32, residual support = 6.21: * HG3 GLU- 64 - HN VAL 65 20.000% * 48.5005% (0.96 3.07 11.50) = 48.500% kept HB3 PRO 86 - HN VAL 65 20.000% * 28.0802% (0.94 1.81 1.36) = 28.080% kept HB2 PRO 86 - HN VAL 65 20.000% * 18.1171% (0.69 1.61 1.36) = 18.117% kept HA1 GLY 58 - HN VAL 65 20.000% * 5.1675% (0.53 0.60 0.02) = 5.168% kept HB2 TYR 83 - HN VAL 65 20.000% * 0.1348% (0.41 0.02 0.02) = 0.135% Peak 749 (2.44, 8.21, 118.40 ppm): 4 chemical-shift based assignments, quality = 0.886, support = 3.83, residual support = 22.6: * HG3 GLU- 45 - HN GLU- 45 25.000% * 49.3407% (0.99 4.28 25.57) = 49.341% kept HG2 GLU- 45 - HN GLU- 45 25.000% * 37.7402% (0.79 4.09 25.57) = 37.740% kept HA1 GLY 58 - HN GLU- 45 25.000% * 12.8068% (0.78 1.41 2.31) = 12.807% kept HB2 MET 1 - HN GLU- 45 25.000% * 0.1123% (0.48 0.02 0.02) = 0.112% Peak 750 (0.94, 8.21, 118.40 ppm): 10 chemical-shift based assignments, quality = 0.741, support = 1.45, residual support = 1.37: HG LEU 74 - HN GLU- 45 10.000% * 20.9348% (0.65 2.12 2.59) = 20.935% kept HG12 ILE 29 - HN GLU- 45 10.000% * 19.7543% (0.89 1.48 1.09) = 19.754% kept HG3 LYS+ 63 - HN GLU- 45 10.000% * 16.5739% (0.68 1.62 2.09) = 16.574% kept QG2 ILE 29 - HN GLU- 45 10.000% * 14.1629% (0.79 1.18 1.09) = 14.163% kept QG2 VAL 62 - HN GLU- 45 10.000% * 13.3847% (0.86 1.03 0.84) = 13.385% kept QG2 VAL 73 - HN GLU- 45 10.000% * 10.6338% (0.56 1.26 0.02) = 10.634% kept HG12 ILE 68 - HN GLU- 45 10.000% * 3.7803% (0.79 0.32 0.02) = 3.780% kept QG1 VAL 105 - HN GLU- 45 10.000% * 0.2980% (0.99 0.02 0.02) = 0.298% QD1 LEU 17 - HN GLU- 45 10.000% * 0.2960% (0.98 0.02 0.02) = 0.296% QG2 VAL 99 - HN GLU- 45 10.000% * 0.1811% (0.60 0.02 0.02) = 0.181% Peak 751 (2.26, 8.21, 118.40 ppm): 6 chemical-shift based assignments, quality = 0.584, support = 0.829, residual support = 0.893: HA1 GLY 58 - HN GLU- 45 16.667% * 33.6514% (0.42 1.41 2.31) = 33.651% kept HB VAL 80 - HN GLU- 45 16.667% * 23.6638% (0.95 0.44 0.02) = 23.664% kept HG3 GLU- 75 - HN GLU- 45 16.667% * 17.1313% (0.34 0.89 0.02) = 17.131% kept HG2 GLU- 56 - HN GLU- 45 16.667% * 16.7866% (0.64 0.46 0.62) = 16.787% kept HG3 GLU- 10 - HN GLU- 45 16.667% * 8.5700% (0.60 0.25 0.02) = 8.570% kept HB3 PRO 52 - HN GLU- 45 16.667% * 0.1968% (0.17 0.02 0.02) = 0.197% Peak 752 (1.49, 8.21, 118.40 ppm): 7 chemical-shift based assignments, quality = 0.512, support = 1.61, residual support = 3.37: HB2 LYS+ 72 - HN GLU- 45 14.286% * 36.6912% (0.68 1.49 4.04) = 36.691% kept HG3 LYS+ 72 - HN GLU- 45 14.286% * 35.7662% (0.56 1.76 4.04) = 35.766% kept HG LEU 74 - HN GLU- 45 14.286% * 16.8704% (0.22 2.12 2.59) = 16.870% kept HG LEU 43 - HN GLU- 45 14.286% * 8.4957% (0.27 0.85 0.02) = 8.496% kept HB3 LEU 67 - HN GLU- 45 14.286% * 1.0282% (0.25 0.12 0.02) = 1.028% kept HD3 LYS+ 108 - HN GLU- 45 14.286% * 0.5742% (0.79 0.02 0.02) = 0.574% QB ALA 70 - HN GLU- 45 14.286% * 0.5742% (0.79 0.02 0.02) = 0.574% Peak 753 (7.81, 8.21, 118.40 ppm): 5 chemical-shift based assignments, quality = 0.563, support = 2.59, residual support = 7.56: * T HN THR 46 - HN GLU- 45 20.000% * 53.7362% (0.34 10.00 4.28 13.41) = 53.736% kept T HN ALA 93 - HN GLU- 45 20.000% * 38.0367% (0.89 10.00 0.54 0.64) = 38.037% kept HN LYS+ 63 - HN GLU- 45 20.000% * 5.0566% (0.41 1.00 1.56 2.09) = 5.057% kept HN LYS+ 55 - HN GLU- 45 20.000% * 2.4552% (0.98 1.00 0.31 0.02) = 2.455% kept HN VAL 87 - HN GLU- 45 20.000% * 0.7153% (0.37 1.00 0.24 0.10) = 0.715% Peak 754 (7.93, 8.21, 118.40 ppm): 1 chemical-shift based assignment, quality = 0.22, support = 1.48, residual support = 4.04: HN LYS+ 72 - HN GLU- 45 100.000% *100.0000% (0.22 1.48 4.04) = 100.000% kept Peak 755 (2.02, 8.21, 118.40 ppm): 18 chemical-shift based assignments, quality = 0.787, support = 4.26, residual support = 22.5: O HB3 GLU- 45 - HN GLU- 45 5.556% * 68.2841% (0.91 10.0 4.54 25.57) = 68.284% kept O HB2 GLU- 45 - HN GLU- 45 5.556% * 14.6388% (0.20 10.0 4.85 25.57) = 14.639% kept * HB2 LYS+ 44 - HN GLU- 45 5.556% * 11.7327% (0.99 1.0 3.17 11.32) = 11.733% kept HB3 GLU- 75 - HN GLU- 45 5.556% * 3.0909% (0.44 1.0 1.87 0.02) = 3.091% kept HB VAL 62 - HN GLU- 45 5.556% * 1.5682% (0.41 1.0 1.03 0.84) = 1.568% kept HB3 PRO 31 - HN GLU- 45 5.556% * 0.0740% (0.99 1.0 0.02 0.02) = 0.074% HB2 PRO 112 - HN GLU- 45 5.556% * 0.0725% (0.97 1.0 0.02 0.02) = 0.073% HB3 PRO 112 - HN GLU- 45 5.556% * 0.0700% (0.93 1.0 0.02 0.02) = 0.070% HG2 PRO 116 - HN GLU- 45 5.556% * 0.0683% (0.91 1.0 0.02 0.02) = 0.068% HG2 GLU- 64 - HN GLU- 45 5.556% * 0.0592% (0.79 1.0 0.02 0.02) = 0.059% HB3 GLU- 107 - HN GLU- 45 5.556% * 0.0592% (0.79 1.0 0.02 0.02) = 0.059% HB2 GLU- 18 - HN GLU- 45 5.556% * 0.0537% (0.72 1.0 0.02 0.02) = 0.054% HB VAL 105 - HN GLU- 45 5.556% * 0.0479% (0.64 1.0 0.02 0.02) = 0.048% HB3 LYS+ 110 - HN GLU- 45 5.556% * 0.0479% (0.64 1.0 0.02 0.02) = 0.048% HB2 HIS+ 14 - HN GLU- 45 5.556% * 0.0449% (0.60 1.0 0.02 0.02) = 0.045% HG2 PRO 86 - HN GLU- 45 5.556% * 0.0389% (0.52 1.0 0.02 0.02) = 0.039% HG3 PRO 86 - HN GLU- 45 5.556% * 0.0304% (0.41 1.0 0.02 0.02) = 0.030% HB3 GLU- 10 - HN GLU- 45 5.556% * 0.0184% (0.25 1.0 0.02 0.02) = 0.018% Peak 756 (4.51, 8.28, 118.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 757 (1.47, 8.28, 118.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. 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): 4 chemical-shift based assignments, quality = 0.85, support = 3.82, residual support = 22.6: * HG2 GLU- 45 - HN GLU- 45 25.000% * 47.4414% (0.96 4.09 25.57) = 47.441% kept HG3 GLU- 45 - HN GLU- 45 25.000% * 39.7685% (0.77 4.28 25.57) = 39.768% kept HA1 GLY 58 - HN GLU- 45 25.000% * 12.5887% (0.74 1.41 2.31) = 12.589% kept HB2 MET 1 - HN GLU- 45 25.000% * 0.2014% (0.83 0.02 0.02) = 0.201% Peak 760 (7.83, 8.22, 118.42 ppm): 4 chemical-shift based assignments, quality = 0.653, support = 1.16, residual support = 1.5: HN LYS+ 63 - HN GLU- 45 25.000% * 61.6495% (0.95 1.00 1.56 2.09) = 61.650% kept T HN ALA 93 - HN GLU- 45 25.000% * 33.0928% (0.15 10.00 0.54 0.64) = 33.093% kept HN LYS+ 55 - HN GLU- 45 25.000% * 5.1498% (0.39 1.00 0.31 0.02) = 5.150% kept HD22 ASN 89 - HN GLU- 45 25.000% * 0.1078% (0.13 1.00 0.02 3.00) = 0.108% Reference assignment not found: HN LYS+ 44 - HN GLU- 45 Peak 761 (0.93, 8.22, 118.42 ppm): 12 chemical-shift based assignments, quality = 0.636, support = 1.44, residual support = 1.29: HG LEU 74 - HN GLU- 45 8.333% * 21.4236% (0.62 2.12 2.59) = 21.424% kept HG12 ILE 29 - HN GLU- 45 8.333% * 18.2863% (0.77 1.48 1.09) = 18.286% kept HG3 LYS+ 63 - HN GLU- 45 8.333% * 14.1627% (0.54 1.62 2.09) = 14.163% kept QG2 VAL 73 - HN GLU- 45 8.333% * 13.3763% (0.66 1.26 0.02) = 13.376% kept QG2 ILE 29 - HN GLU- 45 8.333% * 12.5964% (0.66 1.18 1.09) = 12.596% kept QG2 VAL 62 - HN GLU- 45 8.333% * 12.2259% (0.73 1.03 0.84) = 12.226% kept HG12 ILE 68 - HN GLU- 45 8.333% * 3.3622% (0.66 0.32 0.02) = 3.362% kept QG2 VAL 87 - HN GLU- 45 8.333% * 2.7397% (0.15 1.15 0.10) = 2.740% kept HG13 ILE 68 - HN GLU- 45 8.333% * 0.9861% (0.17 0.36 0.02) = 0.986% QD1 LEU 17 - HN GLU- 45 8.333% * 0.3090% (0.95 0.02 0.02) = 0.309% QG1 VAL 105 - HN GLU- 45 8.333% * 0.3069% (0.95 0.02 0.02) = 0.307% QG2 VAL 99 - HN GLU- 45 8.333% * 0.2249% (0.69 0.02 0.02) = 0.225% Peak 762 (1.49, 8.22, 118.42 ppm): 7 chemical-shift based assignments, quality = 0.372, support = 1.63, residual support = 3.32: HB2 LYS+ 72 - HN GLU- 45 14.286% * 35.3355% (0.50 1.49 4.04) = 35.335% kept HG3 LYS+ 72 - HN GLU- 45 14.286% * 32.6558% (0.39 1.76 4.04) = 32.656% kept HG LEU 74 - HN GLU- 45 14.286% * 21.9189% (0.22 2.12 2.59) = 21.919% kept HG LEU 43 - HN GLU- 45 14.286% * 6.7285% (0.17 0.85 0.02) = 6.729% kept HB3 LEU 67 - HN GLU- 45 14.286% * 1.9458% (0.36 0.12 0.02) = 1.946% kept QB ALA 70 - HN GLU- 45 14.286% * 0.8323% (0.88 0.02 0.02) = 0.832% HD3 LYS+ 108 - HN GLU- 45 14.286% * 0.5832% (0.62 0.02 0.02) = 0.583% Peak 763 (4.22, 8.22, 118.42 ppm): 18 chemical-shift based assignments, quality = 0.484, support = 2.78, residual support = 6.12: O HA LYS+ 44 - HN GLU- 45 5.556% * 47.0993% (0.18 10.0 4.18 11.32) = 47.099% kept HA ASN 89 - HN GLU- 45 5.556% * 26.1195% (0.89 1.0 2.26 3.00) = 26.119% kept HA ALA 42 - HN GLU- 45 5.556% * 11.7103% (0.95 1.0 0.96 0.02) = 11.710% kept HA VAL 73 - HN GLU- 45 5.556% * 4.4238% (0.32 1.0 1.06 0.02) = 4.424% kept HA GLU- 54 - HN GLU- 45 5.556% * 3.3479% (0.62 1.0 0.42 0.02) = 3.348% kept HA PRO 59 - HN GLU- 45 5.556% * 3.3042% (0.21 1.0 1.20 0.02) = 3.304% kept HA ALA 11 - HN GLU- 45 5.556% * 1.1520% (0.88 1.0 0.10 0.23) = 1.152% kept HA GLU- 64 - HN GLU- 45 5.556% * 1.0392% (0.24 1.0 0.34 0.02) = 1.039% kept HB3 SER 49 - HN GLU- 45 5.556% * 0.2472% (0.96 1.0 0.02 0.02) = 0.247% HA LYS+ 110 - HN GLU- 45 5.556% * 0.2467% (0.95 1.0 0.02 0.02) = 0.247% HA GLU- 12 - HN GLU- 45 5.556% * 0.2467% (0.95 1.0 0.02 0.02) = 0.247% HB3 HIS+ 14 - HN GLU- 45 5.556% * 0.2065% (0.80 1.0 0.02 0.02) = 0.207% HA GLU- 109 - HN GLU- 45 5.556% * 0.1889% (0.73 1.0 0.02 0.02) = 0.189% HA GLU- 18 - HN GLU- 45 5.556% * 0.1889% (0.73 1.0 0.02 0.02) = 0.189% HA SER 49 - HN GLU- 45 5.556% * 0.1795% (0.69 1.0 0.02 0.02) = 0.180% HA HIS+ 8 - HN GLU- 45 5.556% * 0.1301% (0.50 1.0 0.02 0.02) = 0.130% HA ASP- 82 - HN GLU- 45 5.556% * 0.1203% (0.47 1.0 0.02 0.02) = 0.120% HA LYS+ 108 - HN GLU- 45 5.556% * 0.0489% (0.19 1.0 0.02 0.02) = 0.049% Peak 764 (2.02, 8.22, 118.42 ppm): 18 chemical-shift based assignments, quality = 0.784, support = 4.29, residual support = 22.7: O HB3 GLU- 45 - HN GLU- 45 5.556% * 65.5969% (0.94 10.0 4.54 25.57) = 65.597% kept * O HB2 GLU- 45 - HN GLU- 45 5.556% * 18.6068% (0.27 10.0 4.85 25.57) = 18.607% kept HB2 LYS+ 44 - HN GLU- 45 5.556% * 10.4044% (0.94 1.0 3.17 11.32) = 10.404% kept HB3 GLU- 75 - HN GLU- 45 5.556% * 2.9838% (0.46 1.0 1.87 0.02) = 2.984% kept HB VAL 62 - HN GLU- 45 5.556% * 1.8156% (0.50 1.0 1.03 0.84) = 1.816% kept HB3 PRO 31 - HN GLU- 45 5.556% * 0.0656% (0.94 1.0 0.02 0.02) = 0.066% HB2 PRO 112 - HN GLU- 45 5.556% * 0.0618% (0.88 1.0 0.02 0.02) = 0.062% HB3 GLU- 107 - HN GLU- 45 5.556% * 0.0600% (0.86 1.0 0.02 0.02) = 0.060% HB3 PRO 112 - HN GLU- 45 5.556% * 0.0581% (0.83 1.0 0.02 0.02) = 0.058% HG2 PRO 116 - HN GLU- 45 5.556% * 0.0559% (0.80 1.0 0.02 0.02) = 0.056% HB3 LYS+ 110 - HN GLU- 45 5.556% * 0.0511% (0.73 1.0 0.02 0.02) = 0.051% HG2 GLU- 64 - HN GLU- 45 5.556% * 0.0460% (0.66 1.0 0.02 0.02) = 0.046% HB2 GLU- 18 - HN GLU- 45 5.556% * 0.0406% (0.58 1.0 0.02 0.02) = 0.041% HG3 PRO 86 - HN GLU- 45 5.556% * 0.0352% (0.50 1.0 0.02 0.02) = 0.035% HB VAL 105 - HN GLU- 45 5.556% * 0.0352% (0.50 1.0 0.02 0.02) = 0.035% HB2 HIS+ 14 - HN GLU- 45 5.556% * 0.0326% (0.47 1.0 0.02 0.02) = 0.033% HG2 PRO 86 - HN GLU- 45 5.556% * 0.0275% (0.39 1.0 0.02 0.02) = 0.028% HB3 GLU- 10 - HN GLU- 45 5.556% * 0.0228% (0.33 1.0 0.02 0.02) = 0.023% Peak 765 (2.25, 8.22, 118.42 ppm): 7 chemical-shift based assignments, quality = 0.597, support = 0.812, residual support = 0.839: HA1 GLY 58 - HN GLU- 45 14.286% * 31.0929% (0.40 1.41 2.31) = 31.093% kept HB VAL 80 - HN GLU- 45 14.286% * 22.6544% (0.95 0.44 0.02) = 22.654% kept HG3 GLU- 75 - HN GLU- 45 14.286% * 19.2462% (0.39 0.89 0.02) = 19.246% kept HG2 GLU- 56 - HN GLU- 45 14.286% * 17.5644% (0.69 0.46 0.62) = 17.564% kept HG3 GLU- 10 - HN GLU- 45 14.286% * 9.0471% (0.66 0.25 0.02) = 9.047% kept HB3 PRO 52 - HN GLU- 45 14.286% * 0.2333% (0.21 0.02 0.02) = 0.233% HG3 MET 118 - HN GLU- 45 14.286% * 0.1617% (0.15 0.02 0.02) = 0.162% Peak 766 (4.14, 8.12, 118.45 ppm): 7 chemical-shift based assignments, quality = 0.974, support = 3.53, residual support = 11.6: * O HB2 SER 88 - HN SER 88 14.286% * 85.4891% (0.99 10.0 3.64 11.96) = 85.489% kept HA ASN 89 - HN SER 88 14.286% * 13.0322% (0.97 1.0 3.11 10.57) = 13.032% kept HA LYS+ 44 - HN SER 88 14.286% * 1.2890% (0.46 1.0 0.64 0.21) = 1.289% kept HA2 GLY 71 - HN SER 88 14.286% * 0.0789% (0.91 1.0 0.02 0.02) = 0.079% HD2 PRO 59 - HN SER 88 14.286% * 0.0653% (0.75 1.0 0.02 0.02) = 0.065% HA ARG+ 53 - HN SER 88 14.286% * 0.0264% (0.30 1.0 0.02 0.02) = 0.026% HB THR 106 - HN SER 88 14.286% * 0.0190% (0.22 1.0 0.02 0.02) = 0.019% Peak 767 (3.88, 8.12, 118.45 ppm): 12 chemical-shift based assignments, quality = 0.582, support = 2.4, residual support = 12.7: * O HA VAL 87 - HN SER 88 8.333% * 45.0487% (0.56 10.0 2.31 15.95) = 45.049% kept O HB3 SER 88 - HN SER 88 8.333% * 35.6736% (0.44 10.0 2.67 11.96) = 35.674% kept HA ASN 89 - HN SER 88 8.333% * 11.4183% (0.91 1.0 3.11 10.57) = 11.418% kept HD2 PRO 116 - HN SER 88 8.333% * 2.9635% (0.98 1.0 0.75 0.21) = 2.963% kept HD2 PRO 86 - HN SER 88 8.333% * 2.8442% (0.97 1.0 0.73 0.02) = 2.844% kept HA LYS+ 44 - HN SER 88 8.333% * 1.8298% (0.71 1.0 0.64 0.21) = 1.830% kept HA VAL 125 - HN SER 88 8.333% * 0.0794% (0.98 1.0 0.02 0.02) = 0.079% HB2 SER 85 - HN SER 88 8.333% * 0.0690% (0.85 1.0 0.02 0.02) = 0.069% HA ILE 48 - HN SER 88 8.333% * 0.0298% (0.37 1.0 0.02 0.02) = 0.030% HB3 SER 77 - HN SER 88 8.333% * 0.0192% (0.24 1.0 0.02 0.02) = 0.019% HB2 SER 77 - HN SER 88 8.333% * 0.0139% (0.17 1.0 0.02 0.02) = 0.014% HD3 PRO 86 - HN SER 88 8.333% * 0.0108% (0.13 1.0 0.02 0.02) = 0.011% Peak 768 (8.11, 8.12, 118.45 ppm): 1 diagonal assignment: * HN SER 88 - HN SER 88 (0.93) kept Peak 769 (7.79, 8.12, 118.45 ppm): 4 chemical-shift based assignments, quality = 0.969, support = 3.72, residual support = 15.5: * T HN VAL 87 - HN SER 88 25.000% * 97.3096% (0.98 10.00 3.81 15.95) = 97.310% kept HN ALA 93 - HN SER 88 25.000% * 2.5573% (0.72 1.00 0.72 0.02) = 2.557% kept HN THR 46 - HN SER 88 25.000% * 0.0962% (0.97 1.00 0.02 0.02) = 0.096% HN LYS+ 55 - HN SER 88 25.000% * 0.0368% (0.37 1.00 0.02 0.02) = 0.037% Peak 770 (4.78, 8.12, 118.45 ppm): 6 chemical-shift based assignments, quality = 0.758, support = 1.42, residual support = 3.21: HA PRO 116 - HN SER 88 16.667% * 29.5943% (0.98 0.82 0.21) = 29.594% kept HA ASN 89 - HN SER 88 16.667% * 29.2176% (0.25 3.11 10.57) = 29.218% kept HA ASP- 115 - HN SER 88 16.667% * 28.4022% (0.97 0.80 0.19) = 28.402% kept HA ASN 15 - HN SER 88 16.667% * 12.0058% (0.99 0.33 0.02) = 12.006% kept HA LYS+ 113 - HN SER 88 16.667% * 0.6527% (0.88 0.02 0.02) = 0.653% HA VAL 40 - HN SER 88 16.667% * 0.1275% (0.17 0.02 0.02) = 0.127% Peak 771 (4.39, 8.12, 118.45 ppm): 14 chemical-shift based assignments, quality = 0.955, support = 3.69, residual support = 11.8: * O HA SER 88 - HN SER 88 7.143% * 89.1653% (0.99 10.0 3.78 11.96) = 89.165% kept HA ASN 89 - HN SER 88 7.143% * 10.3554% (0.74 1.0 3.11 10.57) = 10.355% kept HA VAL 73 - HN SER 88 7.143% * 0.0864% (0.96 1.0 0.02 0.02) = 0.086% HA TRP 51 - HN SER 88 7.143% * 0.0745% (0.82 1.0 0.02 0.02) = 0.074% HA ASN 57 - HN SER 88 7.143% * 0.0541% (0.60 1.0 0.02 0.02) = 0.054% HA ALA 37 - HN SER 88 7.143% * 0.0505% (0.56 1.0 0.02 0.02) = 0.050% HA LYS+ 60 - HN SER 88 7.143% * 0.0434% (0.48 1.0 0.02 0.02) = 0.043% HA THR 24 - HN SER 88 7.143% * 0.0367% (0.41 1.0 0.02 0.02) = 0.037% HA HIS+ 14 - HN SER 88 7.143% * 0.0335% (0.37 1.0 0.02 0.25) = 0.033% HA THR 38 - HN SER 88 7.143% * 0.0335% (0.37 1.0 0.02 0.02) = 0.033% HB3 HIS+ 4 - HN SER 88 7.143% * 0.0199% (0.22 1.0 0.02 0.02) = 0.020% HA LYS+ 66 - HN SER 88 7.143% * 0.0176% (0.19 1.0 0.02 0.02) = 0.018% HA CYS 121 - HN SER 88 7.143% * 0.0156% (0.17 1.0 0.02 0.02) = 0.016% HA2 GLY 26 - HN SER 88 7.143% * 0.0138% (0.15 1.0 0.02 0.02) = 0.014% Peak 772 (4.90, 8.12, 118.45 ppm): 6 chemical-shift based assignments, quality = 0.191, support = 2.83, residual support = 9.6: HA ASN 89 - HN SER 88 16.667% * 90.8246% (0.16 3.11 10.57) = 90.825% kept HA ALA 33 - HN SER 88 16.667% * 2.5484% (0.68 0.02 0.02) = 2.548% kept HA GLN 102 - HN SER 88 16.667% * 2.5484% (0.68 0.02 0.02) = 2.548% kept HA HIS+ 98 - HN SER 88 16.667% * 1.9519% (0.52 0.02 0.02) = 1.952% kept HA SER 69 - HN SER 88 16.667% * 1.3924% (0.37 0.02 0.02) = 1.392% kept HA ILE 19 - HN SER 88 16.667% * 0.7342% (0.19 0.02 0.19) = 0.734% Peak 773 (0.91, 8.12, 118.45 ppm): 14 chemical-shift based assignments, quality = 0.867, support = 2.59, residual support = 10.1: * QG2 VAL 87 - HN SER 88 7.143% * 63.4570% (0.91 3.78 15.95) = 63.457% kept HG13 ILE 68 - HN SER 88 7.143% * 11.6858% (0.93 0.68 0.02) = 11.686% kept QG2 VAL 105 - HN SER 88 7.143% * 8.4652% (0.79 0.58 0.02) = 8.465% kept HG LEU 74 - HN SER 88 7.143% * 6.0291% (0.58 0.56 0.02) = 6.029% kept QD1 LEU 67 - HN SER 88 7.143% * 4.7292% (0.88 0.29 0.02) = 4.729% kept QG1 VAL 47 - HN SER 88 7.143% * 4.5009% (0.82 0.30 0.02) = 4.501% kept QG2 VAL 73 - HN SER 88 7.143% * 0.2916% (0.79 0.02 0.02) = 0.292% QG2 VAL 99 - HN SER 88 7.143% * 0.2783% (0.75 0.02 0.02) = 0.278% QG1 VAL 80 - HN SER 88 7.143% * 0.1497% (0.41 0.02 0.02) = 0.150% QD1 LEU 17 - HN SER 88 7.143% * 0.1012% (0.27 0.02 0.02) = 0.101% QG1 VAL 122 - HN SER 88 7.143% * 0.1012% (0.27 0.02 0.02) = 0.101% QG1 VAL 105 - HN SER 88 7.143% * 0.0908% (0.25 0.02 0.02) = 0.091% QG2 VAL 47 - HN SER 88 7.143% * 0.0638% (0.17 0.02 0.02) = 0.064% QG2 VAL 125 - HN SER 88 7.143% * 0.0562% (0.15 0.02 0.02) = 0.056% 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): 7 chemical-shift based assignments, quality = 0.749, support = 2.05, residual support = 9.64: * HG3 LYS+ 44 - HN LYS+ 44 14.286% * 78.9093% (0.90 2.14 11.43) = 78.909% kept HG LEU 74 - HN LYS+ 44 14.286% * 16.8246% (0.20 2.10 3.69) = 16.825% kept QD2 LEU 9 - HN LYS+ 44 14.286% * 1.8875% (0.14 0.33 0.02) = 1.887% kept QD1 LEU 9 - HN LYS+ 44 14.286% * 0.9528% (0.25 0.09 0.02) = 0.953% HG12 ILE 100 - HN LYS+ 44 14.286% * 0.6394% (0.78 0.02 0.02) = 0.639% QD1 ILE 68 - HN LYS+ 44 14.286% * 0.4834% (0.14 0.08 0.72) = 0.483% HG3 LYS+ 66 - HN LYS+ 44 14.286% * 0.3031% (0.37 0.02 0.02) = 0.303% Peak 776 (2.26, 7.90, 118.11 ppm): 5 chemical-shift based assignments, quality = 0.484, support = 0.883, residual support = 1.21: HB VAL 80 - HN LYS+ 44 20.000% * 39.6952% (0.69 0.87 0.40) = 39.695% kept HA1 GLY 58 - HN LYS+ 44 20.000% * 31.7169% (0.40 1.21 3.29) = 31.717% kept HG2 GLU- 56 - HN LYS+ 44 20.000% * 12.1086% (0.34 0.54 0.02) = 12.109% kept HG3 GLU- 10 - HN LYS+ 44 20.000% * 11.9125% (0.31 0.58 0.02) = 11.912% kept HG3 GLU- 75 - HN LYS+ 44 20.000% * 4.5669% (0.14 0.49 0.02) = 4.567% kept Peak 777 (3.50, 7.90, 118.11 ppm): 6 chemical-shift based assignments, quality = 0.621, support = 0.641, residual support = 0.0783: HA1 GLY 30 - HN LYS+ 44 16.667% * 54.0962% (0.89 0.64 0.02) = 54.096% kept HA ASN 89 - HN LYS+ 44 16.667% * 25.0640% (0.40 0.65 0.17) = 25.064% kept HA1 GLY 71 - HN LYS+ 44 16.667% * 11.6791% (0.14 0.87 0.14) = 11.679% kept HD3 PRO 31 - HN LYS+ 44 16.667% * 6.8763% (0.16 0.45 0.13) = 6.876% kept HB3 SER 69 - HN LYS+ 44 16.667% * 1.6412% (0.85 0.02 0.02) = 1.641% kept HA ILE 48 - HN LYS+ 44 16.667% * 0.6432% (0.34 0.02 0.02) = 0.643% Peak 778 (2.08, 7.90, 118.11 ppm): 12 chemical-shift based assignments, quality = 0.672, support = 3.1, residual support = 3.95: * HB2 LEU 43 - HN LYS+ 44 8.333% * 62.0093% (0.85 3.48 4.65) = 62.009% kept HB3 LEU 43 - HN LYS+ 44 8.333% * 19.9969% (0.23 4.26 4.65) = 19.997% kept HB3 GLU- 75 - HN LYS+ 44 8.333% * 7.4018% (0.89 0.40 0.02) = 7.402% kept HA1 GLY 58 - HN LYS+ 44 8.333% * 3.8583% (0.15 1.21 3.29) = 3.858% kept HB VAL 87 - HN LYS+ 44 8.333% * 3.5920% (0.62 0.28 0.32) = 3.592% kept HG3 GLU- 56 - HN LYS+ 44 8.333% * 1.3092% (0.20 0.31 0.02) = 1.309% kept HD3 LYS+ 110 - HN LYS+ 44 8.333% * 0.3755% (0.90 0.02 0.02) = 0.375% HB2 LYS+ 110 - HN LYS+ 44 8.333% * 0.3688% (0.89 0.02 0.02) = 0.369% HB VAL 125 - HN LYS+ 44 8.333% * 0.3474% (0.83 0.02 0.02) = 0.347% HB3 LYS+ 120 - HN LYS+ 44 8.333% * 0.3143% (0.75 0.02 0.02) = 0.314% HB VAL 65 - HN LYS+ 44 8.333% * 0.2434% (0.58 0.02 0.02) = 0.243% HG3 ARG+ 53 - HN LYS+ 44 8.333% * 0.1832% (0.44 0.02 0.02) = 0.183% Peak 779 (8.20, 7.90, 118.11 ppm): 8 chemical-shift based assignments, quality = 0.586, support = 2.64, residual support = 8.43: * HN GLU- 45 - HN LYS+ 44 12.500% * 73.0786% (0.62 3.22 11.32) = 73.079% kept HN ALA 11 - HN LYS+ 44 12.500% * 24.1648% (0.55 1.21 0.67) = 24.165% kept HN LYS+ 117 - HN LYS+ 44 12.500% * 0.6552% (0.90 0.02 0.02) = 0.655% HN ALA 33 - HN LYS+ 44 12.500% * 0.6380% (0.87 0.02 0.02) = 0.638% HN ASN 119 - HN LYS+ 44 12.500% * 0.5734% (0.78 0.02 0.02) = 0.573% HN LYS+ 120 - HN LYS+ 44 12.500% * 0.3218% (0.44 0.02 0.02) = 0.322% HN VAL 105 - HN LYS+ 44 12.500% * 0.2964% (0.41 0.02 0.02) = 0.296% HN VAL 94 - HN LYS+ 44 12.500% * 0.2718% (0.37 0.02 0.02) = 0.272% Peak 780 (1.52, 7.90, 118.11 ppm): 8 chemical-shift based assignments, quality = 0.749, support = 1.64, residual support = 2.31: * HG LEU 43 - HN LYS+ 44 12.500% * 39.5338% (0.90 2.21 4.65) = 39.534% kept HG3 LYS+ 72 - HN LYS+ 44 12.500% * 20.8135% (0.78 1.34 0.47) = 20.814% kept HB2 LYS+ 72 - HN LYS+ 44 12.500% * 19.1269% (0.69 1.40 0.47) = 19.127% kept QG2 VAL 80 - HN LYS+ 44 12.500% * 8.1967% (0.55 0.75 0.40) = 8.197% kept HG LEU 74 - HN LYS+ 44 12.500% * 6.8377% (0.16 2.10 3.69) = 6.838% kept HG LEU 9 - HN LYS+ 44 12.500% * 5.1598% (0.78 0.33 0.02) = 5.160% kept HD3 LYS+ 108 - HN LYS+ 44 12.500% * 0.2319% (0.58 0.02 0.02) = 0.232% HB3 LEU 23 - HN LYS+ 44 12.500% * 0.0997% (0.25 0.02 0.02) = 0.100% Peak 781 (0.91, 7.90, 118.11 ppm): 15 chemical-shift based assignments, quality = 0.648, support = 1.08, residual support = 1.56: HG LEU 74 - HN LYS+ 44 6.667% * 37.5556% (0.53 2.10 3.69) = 37.556% kept QG2 VAL 73 - HN LYS+ 44 6.667% * 16.8308% (0.66 0.76 0.23) = 16.831% kept QG2 VAL 87 - HN LYS+ 44 6.667% * 13.0789% (0.87 0.44 0.32) = 13.079% kept QG2 VAL 105 - HN LYS+ 44 6.667% * 9.8302% (0.78 0.37 0.02) = 9.830% kept QG1 VAL 80 - HN LYS+ 44 6.667% * 7.6156% (0.44 0.51 0.40) = 7.616% kept HG13 ILE 68 - HN LYS+ 44 6.667% * 7.6074% (0.89 0.25 0.72) = 7.607% kept QD1 LEU 67 - HN LYS+ 44 6.667% * 3.3302% (0.85 0.11 0.02) = 3.330% kept QG1 VAL 47 - HN LYS+ 44 6.667% * 2.4306% (0.81 0.09 0.02) = 2.431% kept QG2 VAL 47 - HN LYS+ 44 6.667% * 0.6034% (0.20 0.09 0.02) = 0.603% QG2 VAL 99 - HN LYS+ 44 6.667% * 0.4213% (0.62 0.02 0.02) = 0.421% QG1 VAL 122 - HN LYS+ 44 6.667% * 0.2092% (0.31 0.02 0.02) = 0.209% QD1 LEU 17 - HN LYS+ 44 6.667% * 0.1365% (0.20 0.02 0.02) = 0.137% QG2 VAL 125 - HN LYS+ 44 6.667% * 0.1214% (0.18 0.02 0.02) = 0.121% QG1 VAL 105 - HN LYS+ 44 6.667% * 0.1214% (0.18 0.02 0.02) = 0.121% QG1 VAL 40 - HN LYS+ 44 6.667% * 0.1074% (0.16 0.02 0.02) = 0.107% Peak 782 (1.80, 7.90, 118.11 ppm): 15 chemical-shift based assignments, quality = 0.856, support = 1.98, residual support = 11.1: O HB3 LYS+ 44 - HN LYS+ 44 6.667% * 97.2533% (0.87 10.0 2.02 11.43) = 97.253% kept HD3 LYS+ 72 - HN LYS+ 44 6.667% * 1.8199% (0.41 1.0 0.81 0.47) = 1.820% kept HB3 LYS+ 108 - HN LYS+ 44 6.667% * 0.1008% (0.90 1.0 0.02 0.02) = 0.101% HB3 LYS+ 113 - HN LYS+ 44 6.667% * 0.1005% (0.90 1.0 0.02 0.02) = 0.101% HB2 LYS+ 117 - HN LYS+ 44 6.667% * 0.1005% (0.90 1.0 0.02 0.02) = 0.101% HB3 LYS+ 117 - HN LYS+ 44 6.667% * 0.1005% (0.90 1.0 0.02 0.02) = 0.101% HB3 HIS+ 7 - HN LYS+ 44 6.667% * 0.0999% (0.90 1.0 0.02 0.02) = 0.100% HB3 LYS+ 63 - HN LYS+ 44 6.667% * 0.0930% (0.83 1.0 0.02 0.02) = 0.093% HG2 PRO 31 - HN LYS+ 44 6.667% * 0.0807% (0.72 1.0 0.02 0.13) = 0.081% HB3 PRO 116 - HN LYS+ 44 6.667% * 0.0770% (0.69 1.0 0.02 0.02) = 0.077% HB2 GLU- 109 - HN LYS+ 44 6.667% * 0.0571% (0.51 1.0 0.02 0.02) = 0.057% HB3 ARG+ 53 - HN LYS+ 44 6.667% * 0.0344% (0.31 1.0 0.02 0.02) = 0.034% HB3 GLU- 18 - HN LYS+ 44 6.667% * 0.0344% (0.31 1.0 0.02 0.02) = 0.034% HD3 LYS+ 117 - HN LYS+ 44 6.667% * 0.0280% (0.25 1.0 0.02 0.02) = 0.028% HB VAL 73 - HN LYS+ 44 6.667% * 0.0199% (0.18 1.0 0.02 0.23) = 0.020% Peak 783 (3.78, 7.90, 118.11 ppm): 5 chemical-shift based assignments, quality = 0.287, support = 4.64, residual support = 10.4: O HA LYS+ 44 - HN LYS+ 44 20.000% * 90.5463% (0.24 10.0 5.06 11.43) = 90.546% kept HA ASN 89 - HN LYS+ 44 20.000% * 8.9389% (0.74 1.0 0.65 0.17) = 8.939% kept HA ILE 48 - HN LYS+ 44 20.000% * 0.2718% (0.73 1.0 0.02 0.02) = 0.272% HB3 SER 27 - HN LYS+ 44 20.000% * 0.1766% (0.48 1.0 0.02 0.02) = 0.177% HD3 PRO 112 - HN LYS+ 44 20.000% * 0.0664% (0.18 1.0 0.02 0.02) = 0.066% 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): 19 chemical-shift based assignments, quality = 0.621, support = 3.01, residual support = 11.6: O HA PRO 59 - HN LYS+ 60 5.263% * 77.3416% (0.60 10.0 3.05 12.33) = 77.342% kept HD3 PRO 59 - HN LYS+ 60 5.263% * 16.6543% (0.68 1.0 3.80 12.33) = 16.654% kept HA ASN 89 - HN LYS+ 60 5.263% * 2.0594% (0.89 1.0 0.36 0.18) = 2.059% kept HA VAL 73 - HN LYS+ 60 5.263% * 1.5482% (0.56 1.0 0.43 0.02) = 1.548% kept HA GLU- 75 - HN LYS+ 60 5.263% * 1.3913% (0.99 1.0 0.22 0.02) = 1.391% kept HA GLU- 56 - HN LYS+ 60 5.263% * 0.1231% (0.96 1.0 0.02 0.02) = 0.123% HA2 GLY 114 - HN LYS+ 60 5.263% * 0.1144% (0.89 1.0 0.02 0.02) = 0.114% HA HIS+ 4 - HN LYS+ 60 5.263% * 0.1021% (0.80 1.0 0.02 0.02) = 0.102% HA ARG+ 84 - HN LYS+ 60 5.263% * 0.1021% (0.80 1.0 0.02 0.02) = 0.102% HA VAL 65 - HN LYS+ 60 5.263% * 0.0975% (0.76 1.0 0.02 0.02) = 0.097% HA SER 85 - HN LYS+ 60 5.263% * 0.0876% (0.68 1.0 0.02 0.02) = 0.088% HA PRO 52 - HN LYS+ 60 5.263% * 0.0876% (0.68 1.0 0.02 0.02) = 0.088% HA LYS+ 108 - HN LYS+ 60 5.263% * 0.0825% (0.64 1.0 0.02 0.02) = 0.082% HA ALA 91 - HN LYS+ 60 5.263% * 0.0825% (0.64 1.0 0.02 0.02) = 0.082% HA HIS+ 8 - HN LYS+ 60 5.263% * 0.0355% (0.28 1.0 0.02 0.02) = 0.035% HA THR 106 - HN LYS+ 60 5.263% * 0.0284% (0.22 1.0 0.02 0.02) = 0.028% HA GLU- 54 - HN LYS+ 60 5.263% * 0.0252% (0.20 1.0 0.02 0.02) = 0.025% HA SER 49 - HN LYS+ 60 5.263% * 0.0197% (0.15 1.0 0.02 0.02) = 0.020% HA GLU- 18 - HN LYS+ 60 5.263% * 0.0173% (0.13 1.0 0.02 0.02) = 0.017% Peak 786 (7.43, 8.83, 118.01 ppm): 2 chemical-shift based assignments, quality = 0.96, support = 4.44, residual support = 12.4: * T HN THR 61 - HN LYS+ 60 50.000% * 99.9795% (0.96 10.00 4.44 12.44) = 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): 10 chemical-shift based assignments, quality = 0.961, support = 3.89, residual support = 11.9: * O HB3 PRO 59 - HN LYS+ 60 10.000% * 49.3762% (1.00 10.0 3.61 12.33) = 49.376% kept O HB2 PRO 59 - HN LYS+ 60 10.000% * 46.7079% (0.94 10.0 4.44 12.33) = 46.708% kept HB2 LYS+ 66 - HN LYS+ 60 10.000% * 3.1541% (0.96 1.0 1.32 1.98) = 3.154% kept HB3 LYS+ 72 - HN LYS+ 60 10.000% * 0.5955% (0.64 1.0 0.37 0.02) = 0.595% HG3 PRO 112 - HN LYS+ 60 10.000% * 0.0494% (1.00 1.0 0.02 0.02) = 0.049% HB VAL 73 - HN LYS+ 60 10.000% * 0.0319% (0.64 1.0 0.02 0.02) = 0.032% HB2 PRO 104 - HN LYS+ 60 10.000% * 0.0299% (0.60 1.0 0.02 0.02) = 0.030% HD3 LYS+ 117 - HN LYS+ 60 10.000% * 0.0260% (0.52 1.0 0.02 0.02) = 0.026% HD3 LYS+ 72 - HN LYS+ 60 10.000% * 0.0168% (0.34 1.0 0.02 0.02) = 0.017% HB2 GLU- 109 - HN LYS+ 60 10.000% * 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 = 3.97, residual support = 13.8: * O HB3 LYS+ 60 - HN LYS+ 60 9.091% * 93.4220% (0.48 10.0 4.17 14.80) = 93.422% kept HG LEU 74 - HN LYS+ 60 9.091% * 5.2909% (0.38 1.0 1.43 0.12) = 5.291% kept HD3 LYS+ 44 - HN LYS+ 60 9.091% * 0.1881% (0.98 1.0 0.02 0.02) = 0.188% HG3 LYS+ 108 - HN LYS+ 60 9.091% * 0.1881% (0.98 1.0 0.02 0.02) = 0.188% QB ALA 37 - HN LYS+ 60 9.091% * 0.1665% (0.86 1.0 0.02 0.02) = 0.166% QG2 THR 38 - HN LYS+ 60 9.091% * 0.1665% (0.86 1.0 0.02 0.02) = 0.166% QB ALA 42 - HN LYS+ 60 9.091% * 0.1537% (0.80 1.0 0.02 0.02) = 0.154% HD3 LYS+ 113 - HN LYS+ 60 9.091% * 0.1467% (0.76 1.0 0.02 0.02) = 0.147% HG3 LYS+ 55 - HN LYS+ 60 9.091% * 0.1394% (0.72 1.0 0.02 0.02) = 0.139% HG LEU 90 - HN LYS+ 60 9.091% * 0.0789% (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 0.85) = 0.059% Peak 789 (4.37, 8.83, 118.01 ppm): 14 chemical-shift based assignments, quality = 0.985, support = 3.63, residual support = 13.9: * O HA LYS+ 60 - HN LYS+ 60 7.143% * 94.1224% (1.00 10.0 3.84 14.80) = 94.122% kept HA VAL 73 - HN LYS+ 60 7.143% * 2.0094% (0.99 1.0 0.43 0.02) = 2.009% kept HA ASN 57 - HN LYS+ 60 7.143% * 1.9230% (0.98 1.0 0.42 0.02) = 1.923% kept HA ASN 89 - HN LYS+ 60 7.143% * 1.3035% (0.77 1.0 0.36 0.18) = 1.304% kept HA ALA 37 - HN LYS+ 60 7.143% * 0.0933% (0.99 1.0 0.02 0.02) = 0.093% HA THR 38 - HN LYS+ 60 7.143% * 0.0923% (0.98 1.0 0.02 0.02) = 0.092% HB3 HIS+ 4 - HN LYS+ 60 7.143% * 0.0816% (0.86 1.0 0.02 0.02) = 0.082% HA TRP 51 - HN LYS+ 60 7.143% * 0.0786% (0.83 1.0 0.02 0.02) = 0.079% HA2 GLY 26 - HN LYS+ 60 7.143% * 0.0719% (0.76 1.0 0.02 0.02) = 0.072% HA LYS+ 117 - HN LYS+ 60 7.143% * 0.0609% (0.64 1.0 0.02 0.02) = 0.061% HA MET 1 - HN LYS+ 60 7.143% * 0.0495% (0.52 1.0 0.02 0.02) = 0.050% HA SER 88 - HN LYS+ 60 7.143% * 0.0458% (0.48 1.0 0.02 0.02) = 0.046% HA1 GLY 26 - HN LYS+ 60 7.143% * 0.0387% (0.41 1.0 0.02 0.02) = 0.039% HA HIS+ 3 - HN LYS+ 60 7.143% * 0.0291% (0.31 1.0 0.02 0.02) = 0.029% Peak 790 (1.57, 8.83, 118.01 ppm): 9 chemical-shift based assignments, quality = 0.965, support = 3.54, residual support = 14.6: HD3 LYS+ 60 - HN LYS+ 60 11.111% * 49.4239% (0.96 3.66 14.80) = 49.424% kept * HG3 LYS+ 60 - HN LYS+ 60 11.111% * 49.2908% (1.00 3.52 14.80) = 49.291% kept HB ILE 19 - HN LYS+ 60 11.111% * 0.2794% (0.99 0.02 0.02) = 0.279% HG LEU 17 - HN LYS+ 60 11.111% * 0.2775% (0.99 0.02 0.02) = 0.278% HB3 LEU 9 - HN LYS+ 60 11.111% * 0.1698% (0.60 0.02 0.02) = 0.170% HB3 LEU 90 - HN LYS+ 60 11.111% * 0.1698% (0.60 0.02 0.02) = 0.170% HB3 LYS+ 32 - HN LYS+ 60 11.111% * 0.1473% (0.52 0.02 0.02) = 0.147% HG13 ILE 29 - HN LYS+ 60 11.111% * 0.1363% (0.48 0.02 0.02) = 0.136% QG2 THR 24 - HN LYS+ 60 11.111% * 0.1051% (0.37 0.02 0.02) = 0.105% Peak 791 (0.70, 8.83, 118.01 ppm): 12 chemical-shift based assignments, quality = 0.937, support = 2.71, residual support = 10.5: * HG2 PRO 59 - HN LYS+ 60 8.333% * 84.8112% (1.00 3.15 12.33) = 84.811% kept QG2 VAL 94 - HN LYS+ 60 8.333% * 5.7649% (0.60 0.35 0.16) = 5.765% kept HG LEU 67 - HN LYS+ 60 8.333% * 5.6395% (0.99 0.21 0.02) = 5.639% kept QG1 VAL 62 - HN LYS+ 60 8.333% * 1.3595% (0.15 0.33 0.13) = 1.359% kept HB2 LEU 9 - HN LYS+ 60 8.333% * 0.5386% (1.00 0.02 0.02) = 0.539% QG2 ILE 101 - HN LYS+ 60 8.333% * 0.4672% (0.86 0.02 0.02) = 0.467% QG2 ILE 48 - HN LYS+ 60 8.333% * 0.4116% (0.76 0.02 0.02) = 0.412% QD1 ILE 19 - HN LYS+ 60 8.333% * 0.3700% (0.68 0.02 0.02) = 0.370% HG12 ILE 19 - HN LYS+ 60 8.333% * 0.3050% (0.56 0.02 0.02) = 0.305% QG2 VAL 40 - HN LYS+ 60 8.333% * 0.1663% (0.31 0.02 0.02) = 0.166% QD2 LEU 9 - HN LYS+ 60 8.333% * 0.0831% (0.15 0.02 0.02) = 0.083% QD1 ILE 68 - HN LYS+ 60 8.333% * 0.0831% (0.15 0.02 0.02) = 0.083% Peak 792 (0.94, 8.16, 118.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 793 (2.09, 8.16, 118.22 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Reference assignment not found: HB VAL 87 - HN SER 88 Peak unassigned. 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): 5 chemical-shift based assignments, quality = 0.86, support = 2.73, residual support = 7.36: * T HN GLY 26 - HN ASP- 25 20.000% * 99.6008% (0.86 10.00 2.74 7.38) = 99.601% kept HN SER 88 - HN ASP- 25 20.000% * 0.1125% (0.98 1.00 0.02 0.02) = 0.113% HN GLY 2 - HN ASP- 25 20.000% * 0.1108% (0.96 1.00 0.02 0.02) = 0.111% HN HIS+ 3 - HN ASP- 25 20.000% * 0.1108% (0.96 1.00 0.02 0.02) = 0.111% HN VAL 122 - HN ASP- 25 20.000% * 0.0650% (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 = 3.32, residual support = 23.6: * O HB2 ASP- 25 - HN ASP- 25 16.667% * 99.6725% (1.00 10.0 3.33 23.63) = 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 = 4.03, residual support = 12.4: * T HN THR 24 - HN ASP- 25 100.000% *100.0000% (0.76 10.00 4.03 12.36) = 100.000% kept Peak 798 (4.60, 7.61, 117.98 ppm): 5 chemical-shift based assignments, quality = 0.84, support = 3.84, residual support = 22.3: * O HA ASP- 25 - HN ASP- 25 20.000% * 94.3329% (0.86 10.0 3.95 23.63) = 94.333% kept HA ASN 89 - HN ASP- 25 20.000% * 5.4731% (0.47 1.0 2.13 0.16) = 5.473% kept HA HIS+ 6 - HN ASP- 25 20.000% * 0.0908% (0.83 1.0 0.02 0.02) = 0.091% HA LEU 9 - HN ASP- 25 20.000% * 0.0790% (0.72 1.0 0.02 0.02) = 0.079% HA LYS+ 72 - HN ASP- 25 20.000% * 0.0242% (0.22 1.0 0.02 0.02) = 0.024% Peak 799 (3.09, 7.61, 117.98 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 3.33, residual support = 23.6: * O HB3 ASP- 25 - HN ASP- 25 33.333% * 99.8708% (1.00 10.0 3.33 23.63) = 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): 12 chemical-shift based assignments, quality = 0.753, support = 2.87, residual support = 11.2: * O HA THR 24 - HN ASP- 25 8.333% * 90.1864% (0.76 10.0 2.97 12.36) = 90.186% kept HA ASN 89 - HN ASP- 25 8.333% * 9.2486% (0.73 1.0 2.13 0.16) = 9.249% kept HA VAL 73 - HN ASP- 25 8.333% * 0.1114% (0.94 1.0 0.02 0.02) = 0.111% HA SER 88 - HN ASP- 25 8.333% * 0.0986% (0.83 1.0 0.02 0.02) = 0.099% HA HIS+ 14 - HN ASP- 25 8.333% * 0.0857% (0.72 1.0 0.02 0.02) = 0.086% HA LYS+ 66 - HN ASP- 25 8.333% * 0.0574% (0.48 1.0 0.02 0.02) = 0.057% HA TRP 51 - HN ASP- 25 8.333% * 0.0574% (0.48 1.0 0.02 0.02) = 0.057% HA CYS 121 - HN ASP- 25 8.333% * 0.0529% (0.45 1.0 0.02 0.02) = 0.053% HA ASN 57 - HN ASP- 25 8.333% * 0.0328% (0.28 1.0 0.02 0.02) = 0.033% HA ALA 37 - HN ASP- 25 8.333% * 0.0294% (0.25 1.0 0.02 0.02) = 0.029% HA LYS+ 60 - HN ASP- 25 8.333% * 0.0234% (0.20 1.0 0.02 0.02) = 0.023% HA THR 38 - HN ASP- 25 8.333% * 0.0160% (0.13 1.0 0.02 0.02) = 0.016% Peak 801 (1.73, 7.61, 117.98 ppm): 3 chemical-shift based assignments, quality = 0.883, support = 0.593, residual support = 0.206: HB2 GLN 16 - HN ASP- 25 33.333% * 41.5022% (0.83 0.75 0.26) = 41.502% kept HB ILE 48 - HN ASP- 25 33.333% * 34.2633% (0.96 0.53 0.21) = 34.263% kept HB3 GLU- 50 - HN ASP- 25 33.333% * 24.2345% (0.86 0.42 0.11) = 24.234% kept Peak 802 (1.92, 7.61, 117.98 ppm): 15 chemical-shift based assignments, quality = 0.939, support = 1.46, residual support = 1.02: HB2 LEU 23 - HN ASP- 25 6.667% * 71.7741% (0.99 1.92 1.42) = 71.774% kept HB3 GLU- 56 - HN ASP- 25 6.667% * 12.3472% (1.00 0.33 0.02) = 12.347% kept HD3 LYS+ 63 - HN ASP- 25 6.667% * 11.2512% (0.92 0.33 0.02) = 11.251% kept HB3 PRO 35 - HN ASP- 25 6.667% * 0.7231% (0.96 0.02 0.02) = 0.723% HB ILE 29 - HN ASP- 25 6.667% * 0.6499% (0.86 0.02 0.02) = 0.650% HB3 GLN 102 - HN ASP- 25 6.667% * 0.5726% (0.76 0.02 0.02) = 0.573% HB3 GLU- 54 - HN ASP- 25 6.667% * 0.5441% (0.72 0.02 0.02) = 0.544% HB2 PRO 116 - HN ASP- 25 6.667% * 0.4545% (0.60 0.02 0.02) = 0.454% HB3 MET 118 - HN ASP- 25 6.667% * 0.4242% (0.56 0.02 0.02) = 0.424% HG2 PRO 112 - HN ASP- 25 6.667% * 0.3942% (0.52 0.02 0.02) = 0.394% HB3 CYS 123 - HN ASP- 25 6.667% * 0.2556% (0.34 0.02 0.02) = 0.256% HB2 GLU- 75 - HN ASP- 25 6.667% * 0.2313% (0.31 0.02 0.02) = 0.231% HG2 GLU- 18 - HN ASP- 25 6.667% * 0.1312% (0.17 0.02 0.02) = 0.131% HB3 LYS+ 55 - HN ASP- 25 6.667% * 0.1312% (0.17 0.02 0.02) = 0.131% HG3 PRO 31 - HN ASP- 25 6.667% * 0.1156% (0.15 0.02 0.02) = 0.116% Peak 803 (1.55, 7.61, 117.98 ppm): 12 chemical-shift based assignments, quality = 0.921, support = 2.87, residual support = 7.03: QG2 THR 24 - HN ASP- 25 8.333% * 54.0799% (0.98 4.21 12.36) = 54.080% kept HB3 LEU 23 - HN ASP- 25 8.333% * 23.9014% (0.92 1.97 1.42) = 23.901% kept HG13 ILE 29 - HN ASP- 25 8.333% * 9.6607% (0.92 0.80 0.02) = 9.661% kept HB3 LEU 90 - HN ASP- 25 8.333% * 5.8639% (0.83 0.54 0.02) = 5.864% kept HB3 LEU 9 - HN ASP- 25 8.333% * 3.9352% (0.83 0.36 0.02) = 3.935% kept HG3 LYS+ 60 - HN ASP- 25 8.333% * 1.4552% (0.28 0.40 0.02) = 1.455% kept HG LEU 17 - HN ASP- 25 8.333% * 0.6301% (0.34 0.14 0.02) = 0.630% QG2 VAL 80 - HN ASP- 25 8.333% * 0.1591% (0.60 0.02 0.02) = 0.159% HD3 LYS+ 60 - HN ASP- 25 8.333% * 0.1079% (0.41 0.02 0.02) = 0.108% HG LEU 9 - HN ASP- 25 8.333% * 0.0895% (0.34 0.02 0.02) = 0.089% HB ILE 19 - HN ASP- 25 8.333% * 0.0810% (0.31 0.02 0.02) = 0.081% HG LEU 74 - HN ASP- 25 8.333% * 0.0362% (0.14 0.02 0.02) = 0.036% 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): 8 chemical-shift based assignments, quality = 0.951, support = 2.0, residual support = 4.67: * O HB THR 39 - HN THR 39 12.500% * 94.9148% (0.99 10.0 2.01 4.62) = 94.915% kept HB THR 38 - HN THR 39 12.500% * 3.8137% (0.34 1.0 2.36 7.52) = 3.814% kept HA ASN 89 - HN THR 39 12.500% * 0.5678% (0.98 1.0 0.12 0.02) = 0.568% HA LYS+ 44 - HN THR 39 12.500% * 0.3824% (0.98 1.0 0.08 0.02) = 0.382% HB3 HIS+ 5 - HN THR 39 12.500% * 0.0947% (0.99 1.0 0.02 0.02) = 0.095% HB3 SER 77 - HN THR 39 12.500% * 0.0888% (0.93 1.0 0.02 0.02) = 0.089% HB THR 95 - HN THR 39 12.500% * 0.0689% (0.72 1.0 0.02 0.02) = 0.069% HA1 GLY 92 - HN THR 39 12.500% * 0.0689% (0.72 1.0 0.02 0.02) = 0.069% Peak 806 (1.38, 8.59, 117.77 ppm): 10 chemical-shift based assignments, quality = 0.836, support = 1.5, residual support = 2.98: * QG2 THR 39 - HN THR 39 10.000% * 61.1299% (0.99 2.01 4.62) = 61.130% kept HG LEU 74 - HN THR 39 10.000% * 17.2801% (0.48 1.16 0.54) = 17.280% kept HB2 LYS+ 20 - HN THR 39 10.000% * 7.2251% (0.98 0.24 0.02) = 7.225% kept HB3 LYS+ 20 - HN THR 39 10.000% * 6.7291% (0.91 0.24 0.02) = 6.729% kept QB ALA 42 - HN THR 39 10.000% * 3.9028% (0.15 0.83 1.48) = 3.903% kept QB ALA 91 - HN THR 39 10.000% * 1.8934% (0.52 0.12 0.02) = 1.893% kept HG13 ILE 19 - HN THR 39 10.000% * 0.7115% (0.31 0.08 0.02) = 0.711% HG2 LYS+ 78 - HN THR 39 10.000% * 0.5759% (0.94 0.02 0.02) = 0.576% HD3 LYS+ 20 - HN THR 39 10.000% * 0.3447% (0.56 0.02 0.02) = 0.345% HG3 ARG+ 22 - HN THR 39 10.000% * 0.2077% (0.34 0.02 0.02) = 0.208% Peak 807 (1.54, 8.59, 117.77 ppm): 13 chemical-shift based assignments, quality = 0.517, support = 0.437, residual support = 0.168: HB3 LEU 9 - HN THR 39 7.692% * 31.2371% (0.68 0.31 0.02) = 31.237% kept HG LEU 74 - HN THR 39 7.692% * 24.4844% (0.14 1.16 0.54) = 24.484% kept HB3 LEU 23 - HN THR 39 7.692% * 11.9240% (0.98 0.08 0.02) = 11.924% kept HG LEU 43 - HN THR 39 7.692% * 10.7424% (0.22 0.33 0.02) = 10.742% kept HB3 LEU 90 - HN THR 39 7.692% * 8.7460% (0.68 0.09 0.22) = 8.746% kept QG2 THR 24 - HN THR 39 7.692% * 2.6382% (0.89 0.02 0.02) = 2.638% kept HG13 ILE 29 - HN THR 39 7.692% * 2.3555% (0.79 0.02 0.02) = 2.356% kept QG2 VAL 80 - HN THR 39 7.692% * 2.2481% (0.76 0.02 0.19) = 2.248% kept HB ILE 19 - HN THR 39 7.692% * 2.2044% (0.20 0.08 0.02) = 2.204% kept HG LEU 9 - HN THR 39 7.692% * 1.4319% (0.48 0.02 0.02) = 1.432% kept HD3 LYS+ 60 - HN THR 39 7.692% * 0.8179% (0.27 0.02 0.02) = 0.818% HG LEU 17 - HN THR 39 7.692% * 0.6549% (0.22 0.02 0.02) = 0.655% HG3 LYS+ 60 - HN THR 39 7.692% * 0.5152% (0.17 0.02 0.02) = 0.515% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 808 (4.74, 8.59, 117.77 ppm): 7 chemical-shift based assignments, quality = 0.701, support = 0.833, residual support = 1.45: HA VAL 40 - HN THR 39 14.286% * 87.1137% (0.72 0.95 1.66) = 87.114% kept HA ASN 89 - HN THR 39 14.286% * 4.5599% (0.30 0.12 0.02) = 4.560% kept HA HIS+ 7 - HN THR 39 14.286% * 2.4799% (0.97 0.02 0.02) = 2.480% kept HA HIS+ 5 - HN THR 39 14.286% * 2.0259% (0.79 0.02 0.02) = 2.026% kept HA MET 118 - HN THR 39 14.286% * 2.0259% (0.79 0.02 0.02) = 2.026% kept HA PRO 31 - HN THR 39 14.286% * 1.2315% (0.48 0.02 0.02) = 1.231% kept HA2 GLY 30 - HN THR 39 14.286% * 0.5633% (0.22 0.02 0.02) = 0.563% 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 0.22 Peak unassigned. Peak 810 (7.72, 8.59, 117.77 ppm): 2 chemical-shift based assignments, quality = 0.597, support = 0.704, residual support = 1.48: T HN ALA 42 - HN THR 39 50.000% * 99.5715% (0.60 10.00 0.71 1.48) = 99.571% kept HN VAL 13 - HN THR 39 50.000% * 0.4285% (0.91 1.00 0.02 0.02) = 0.429% Peak 811 (7.88, 8.59, 117.77 ppm): 4 chemical-shift based assignments, quality = 0.653, support = 3.23, residual support = 7.06: * T HN THR 38 - HN THR 39 25.000% * 93.7070% (0.64 10.00 3.41 7.52) = 93.707% kept HN LEU 90 - HN THR 39 25.000% * 5.5037% (0.98 1.00 0.77 0.22) = 5.504% kept HD22 ASN 89 - HN THR 39 25.000% * 0.6593% (0.44 1.00 0.20 0.02) = 0.659% HN LYS+ 44 - HN THR 39 25.000% * 0.1299% (0.89 1.00 0.02 0.02) = 0.130% 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): 15 chemical-shift based assignments, quality = 0.909, support = 2.24, residual support = 5.18: * O HA1 GLY 26 - HN SER 27 6.667% * 53.1659% (0.96 10.0 2.65 5.31) = 53.166% kept O HA2 GLY 26 - HN SER 27 6.667% * 41.6136% (0.87 10.0 1.73 5.31) = 41.614% kept HA ASN 89 - HN SER 27 6.667% * 4.8002% (0.77 1.0 2.26 3.12) = 4.800% kept HA MET 1 - HN SER 27 6.667% * 0.0535% (0.97 1.0 0.02 0.02) = 0.054% HA VAL 73 - HN SER 27 6.667% * 0.0533% (0.96 1.0 0.02 0.02) = 0.053% HA LYS+ 117 - HN SER 27 6.667% * 0.0518% (0.94 1.0 0.02 0.02) = 0.052% HA HIS+ 3 - HN SER 27 6.667% * 0.0507% (0.92 1.0 0.02 0.02) = 0.051% HB3 HIS+ 4 - HN SER 27 6.667% * 0.0430% (0.78 1.0 0.02 0.02) = 0.043% HA THR 38 - HN SER 27 6.667% * 0.0325% (0.59 1.0 0.02 0.02) = 0.033% HB THR 61 - HN SER 27 6.667% * 0.0304% (0.55 1.0 0.02 0.02) = 0.030% HA VAL 94 - HN SER 27 6.667% * 0.0261% (0.47 1.0 0.02 0.02) = 0.026% HA LYS+ 60 - HN SER 27 6.667% * 0.0261% (0.47 1.0 0.02 0.02) = 0.026% HA ALA 37 - HN SER 27 6.667% * 0.0221% (0.40 1.0 0.02 0.02) = 0.022% HA ASN 57 - HN SER 27 6.667% * 0.0201% (0.36 1.0 0.02 0.02) = 0.020% HA TRP 51 - HN SER 27 6.667% * 0.0106% (0.19 1.0 0.02 0.02) = 0.011% Peak 814 (3.78, 8.02, 117.84 ppm): 6 chemical-shift based assignments, quality = 0.627, support = 1.96, residual support = 3.25: * O HB3 SER 27 - HN SER 27 16.667% * 80.3795% (0.59 10.0 1.98 3.47) = 80.380% kept HA ASN 89 - HN SER 27 16.667% * 12.3516% (0.79 1.0 2.26 3.12) = 12.352% kept HA ILE 48 - HN SER 27 16.667% * 7.1922% (0.79 1.0 1.31 1.13) = 7.192% kept HA LYS+ 44 - HN SER 27 16.667% * 0.0353% (0.25 1.0 0.02 0.02) = 0.035% HD3 PRO 112 - HN SER 27 16.667% * 0.0207% (0.15 1.0 0.02 0.02) = 0.021% HD3 PRO 104 - HN SER 27 16.667% * 0.0207% (0.15 1.0 0.02 0.02) = 0.021% Peak 815 (3.69, 8.02, 117.84 ppm): 6 chemical-shift based assignments, quality = 0.69, support = 2.02, residual support = 3.24: * O HA SER 27 - HN SER 27 16.667% * 82.2817% (0.67 10.0 2.07 3.47) = 82.282% kept HA ASN 89 - HN SER 27 16.667% * 9.5690% (0.69 1.0 2.26 3.12) = 9.569% kept HA ILE 48 - HN SER 27 16.667% * 7.8561% (0.97 1.0 1.31 1.13) = 7.856% kept HD2 PRO 52 - HN SER 27 16.667% * 0.1156% (0.94 1.0 0.02 0.02) = 0.116% HA LYS+ 81 - HN SER 27 16.667% * 0.1001% (0.81 1.0 0.02 0.02) = 0.100% HB2 HIS+ 4 - HN SER 27 16.667% * 0.0775% (0.63 1.0 0.02 0.02) = 0.077% Peak 816 (3.51, 8.02, 117.84 ppm): 4 chemical-shift based assignments, quality = 0.484, support = 1.71, residual support = 2.11: HA ASN 89 - HN SER 27 25.000% * 56.6844% (0.45 2.26 3.12) = 56.684% kept HA ILE 48 - HN SER 27 25.000% * 29.9665% (0.40 1.31 1.13) = 29.967% kept HB3 SER 69 - HN SER 27 25.000% * 12.6858% (0.87 0.26 0.02) = 12.686% kept HA1 GLY 30 - HN SER 27 25.000% * 0.6632% (0.59 0.02 0.02) = 0.663% Peak 817 (3.86, 8.02, 117.84 ppm): 12 chemical-shift based assignments, quality = 0.757, support = 1.66, residual support = 2.06: HA ASN 89 - HN SER 27 8.333% * 59.1397% (0.87 2.26 3.12) = 59.140% kept HA ILE 48 - HN SER 27 8.333% * 18.1415% (0.46 1.31 1.13) = 18.141% kept HB3 SER 88 - HN SER 27 8.333% * 11.3157% (0.89 0.42 0.02) = 11.316% kept HA VAL 87 - HN SER 27 8.333% * 5.5864% (0.81 0.23 0.02) = 5.586% kept HA VAL 13 - HN SER 27 8.333% * 4.1296% (0.24 0.57 0.02) = 4.130% kept HD3 PRO 86 - HN SER 27 8.333% * 0.5500% (0.92 0.02 0.02) = 0.550% HA LYS+ 44 - HN SER 27 8.333% * 0.3485% (0.58 0.02 0.02) = 0.349% HB2 SER 85 - HN SER 27 8.333% * 0.3059% (0.51 0.02 0.02) = 0.306% HA VAL 125 - HN SER 27 8.333% * 0.1617% (0.27 0.02 0.02) = 0.162% HD2 PRO 116 - HN SER 27 8.333% * 0.1294% (0.22 0.02 0.02) = 0.129% HD2 PRO 86 - HN SER 27 8.333% * 0.1018% (0.17 0.02 0.02) = 0.102% HA2 GLY 92 - HN SER 27 8.333% * 0.0897% (0.15 0.02 0.02) = 0.090% Peak 818 (1.71, 8.02, 117.84 ppm): 5 chemical-shift based assignments, quality = 0.582, support = 0.487, residual support = 1.03: HB ILE 48 - HN SER 27 20.000% * 91.2153% (0.59 0.53 1.13) = 91.215% kept HB2 GLN 16 - HN SER 27 20.000% * 4.5245% (0.78 0.02 0.02) = 4.524% kept HD3 LYS+ 55 - HN SER 27 20.000% * 1.5710% (0.27 0.02 0.02) = 1.571% kept HB VAL 99 - HN SER 27 20.000% * 1.5710% (0.27 0.02 0.02) = 1.571% kept HB3 GLU- 50 - HN SER 27 20.000% * 1.1182% (0.19 0.02 0.02) = 1.118% kept Peak 819 (8.18, 8.02, 117.84 ppm): 7 chemical-shift based assignments, quality = 0.876, support = 0.141, residual support = 0.02: HN LYS+ 120 - HN SER 27 14.286% * 75.5625% (0.96 0.18 0.02) = 75.563% kept HN ASN 119 - HN SER 27 14.286% * 7.3195% (0.84 0.02 0.02) = 7.319% kept HN ALA 33 - HN SER 27 14.286% * 6.1273% (0.70 0.02 0.02) = 6.127% kept HN SER 41 - HN SER 27 14.286% * 4.4395% (0.51 0.02 0.02) = 4.439% kept HN LYS+ 117 - HN SER 27 14.286% * 4.1073% (0.47 0.02 0.02) = 4.107% kept HN GLU- 45 - HN SER 27 14.286% * 1.3020% (0.15 0.02 0.02) = 1.302% kept HN SER 77 - HN SER 27 14.286% * 1.1420% (0.13 0.02 0.02) = 1.142% kept Not enough support, support cutoff is 0.22 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): 15 chemical-shift based assignments, quality = 0.852, support = 1.1, residual support = 0.799: HA1 GLY 26 - HN ASP- 28 6.667% * 40.6086% (0.92 1.40 0.73) = 40.609% kept HA ASN 89 - HN ASP- 28 6.667% * 27.2411% (0.79 1.10 1.11) = 27.241% kept HA2 GLY 26 - HN ASP- 28 6.667% * 26.9178% (0.98 0.87 0.73) = 26.918% kept HA LYS+ 117 - HN ASP- 28 6.667% * 0.6304% (1.00 0.02 0.02) = 0.630% HA VAL 73 - HN ASP- 28 6.667% * 0.6289% (1.00 0.02 0.02) = 0.629% HA MET 1 - HN ASP- 28 6.667% * 0.6179% (0.98 0.02 0.02) = 0.618% HB3 HIS+ 4 - HN ASP- 28 6.667% * 0.5819% (0.92 0.02 0.02) = 0.582% HA HIS+ 3 - HN ASP- 28 6.667% * 0.5265% (0.83 0.02 0.02) = 0.527% HA THR 38 - HN ASP- 28 6.667% * 0.4818% (0.76 0.02 0.02) = 0.482% HA LYS+ 60 - HN ASP- 28 6.667% * 0.4078% (0.65 0.02 0.02) = 0.408% HA ALA 37 - HN ASP- 28 6.667% * 0.3569% (0.57 0.02 0.02) = 0.357% HA ASN 57 - HN ASP- 28 6.667% * 0.3317% (0.53 0.02 0.02) = 0.332% HB THR 61 - HN ASP- 28 6.667% * 0.2592% (0.41 0.02 0.02) = 0.259% HA VAL 94 - HN ASP- 28 6.667% * 0.2150% (0.34 0.02 0.02) = 0.215% HA TRP 51 - HN ASP- 28 6.667% * 0.1946% (0.31 0.02 0.02) = 0.195% Peak 825 (8.29, 8.29, 117.49 ppm): 1 diagonal assignment: * HN ASP- 28 - HN ASP- 28 (1.00) kept Peak 826 (3.85, 8.29, 117.49 ppm): 10 chemical-shift based assignments, quality = 0.79, support = 0.812, residual support = 0.7: HA ASN 89 - HN ASP- 28 10.000% * 62.2677% (0.89 1.10 1.11) = 62.268% kept HB3 SER 88 - HN ASP- 28 10.000% * 21.5202% (0.65 0.52 0.02) = 21.520% kept HA ILE 48 - HN ASP- 28 10.000% * 5.4530% (0.51 0.17 0.02) = 5.453% kept HD3 PRO 86 - HN ASP- 28 10.000% * 5.2893% (0.98 0.08 0.02) = 5.289% kept HA VAL 87 - HN ASP- 28 10.000% * 3.0111% (0.53 0.09 0.02) = 3.011% kept HA LYS+ 44 - HN ASP- 28 10.000% * 0.7137% (0.56 0.02 0.02) = 0.714% HA VAL 13 - HN ASP- 28 10.000% * 0.6684% (0.53 0.02 0.02) = 0.668% HA2 GLY 92 - HN ASP- 28 10.000% * 0.4768% (0.37 0.02 0.02) = 0.477% HB2 SER 85 - HN ASP- 28 10.000% * 0.3168% (0.25 0.02 0.02) = 0.317% HD3 PRO 116 - HN ASP- 28 10.000% * 0.2829% (0.22 0.02 0.02) = 0.283% Peak 827 (3.75, 8.29, 117.49 ppm): 6 chemical-shift based assignments, quality = 0.671, support = 1.92, residual support = 2.68: * HB3 SER 27 - HN ASP- 28 16.667% * 59.8957% (0.61 2.59 3.86) = 59.896% kept HA ASN 89 - HN ASP- 28 16.667% * 32.6306% (0.78 1.10 1.11) = 32.631% kept HA ILE 48 - HN ASP- 28 16.667% * 5.8936% (0.92 0.17 0.02) = 5.894% kept HD3 PRO 104 - HN ASP- 28 16.667% * 0.7619% (1.00 0.02 0.02) = 0.762% HA LEU 43 - HN ASP- 28 16.667% * 0.6848% (0.90 0.02 0.02) = 0.685% HA LYS+ 44 - HN ASP- 28 16.667% * 0.1335% (0.17 0.02 0.02) = 0.133% Peak 828 (2.11, 8.29, 117.49 ppm): 13 chemical-shift based assignments, quality = 0.37, support = 2.69, residual support = 30.0: O HB2 ASP- 28 - HN ASP- 28 7.692% * 90.1777% (0.34 10.0 2.95 33.29) = 90.178% kept HG3 GLU- 56 - HN ASP- 28 7.692% * 4.5871% (0.98 1.0 0.35 0.02) = 4.587% kept HB VAL 87 - HN ASP- 28 7.692% * 2.6845% (0.57 1.0 0.36 0.02) = 2.684% kept HA1 GLY 58 - HN ASP- 28 7.692% * 1.4822% (0.20 1.0 0.55 0.02) = 1.482% kept HB3 LEU 43 - HN ASP- 28 7.692% * 0.2551% (0.96 1.0 0.02 0.02) = 0.255% HB3 GLU- 75 - HN ASP- 28 7.692% * 0.2503% (0.95 1.0 0.02 0.02) = 0.250% HB VAL 65 - HN ASP- 28 7.692% * 0.1603% (0.61 1.0 0.02 0.02) = 0.160% HB VAL 47 - HN ASP- 28 7.692% * 0.0902% (0.34 1.0 0.02 0.02) = 0.090% HB VAL 125 - HN ASP- 28 7.692% * 0.0816% (0.31 1.0 0.02 0.02) = 0.082% HB2 LEU 43 - HN ASP- 28 7.692% * 0.0735% (0.28 1.0 0.02 0.02) = 0.074% HB2 LYS+ 110 - HN ASP- 28 7.692% * 0.0589% (0.22 1.0 0.02 0.02) = 0.059% HG3 GLN 102 - HN ASP- 28 7.692% * 0.0523% (0.20 1.0 0.02 0.02) = 0.052% HD3 LYS+ 110 - HN ASP- 28 7.692% * 0.0463% (0.17 1.0 0.02 0.02) = 0.046% Peak 829 (2.37, 8.29, 117.49 ppm): 6 chemical-shift based assignments, quality = 0.424, support = 3.26, residual support = 31.2: O HB3 ASP- 28 - HN ASP- 28 16.667% * 93.7787% (0.41 10.0 3.44 33.29) = 93.779% kept HA1 GLY 58 - HN ASP- 28 16.667% * 4.1027% (0.65 1.0 0.55 0.02) = 4.103% kept HB2 LYS+ 78 - HN ASP- 28 16.667% * 1.8930% (0.65 1.0 0.26 0.28) = 1.893% kept HB2 CYS 121 - HN ASP- 28 16.667% * 0.1200% (0.53 1.0 0.02 0.02) = 0.120% HG3 GLU- 50 - HN ASP- 28 16.667% * 0.0704% (0.31 1.0 0.02 0.02) = 0.070% HB2 HIS+ 3 - HN ASP- 28 16.667% * 0.0352% (0.15 1.0 0.02 0.02) = 0.035% Peak 830 (5.97, 8.29, 117.49 ppm): 1 chemical-shift based assignment, quality = 0.486, support = 3.01, residual support = 33.3: O HA ASP- 28 - HN ASP- 28 100.000% *100.0000% (0.49 10.0 3.01 33.29) = 100.000% kept Peak 831 (3.66, 8.29, 117.49 ppm): 5 chemical-shift based assignments, quality = 0.688, support = 2.31, residual support = 3.67: * O HA SER 27 - HN ASP- 28 20.000% * 93.7176% (0.69 10.0 2.40 3.86) = 93.718% kept HA ASN 89 - HN ASP- 28 20.000% * 5.0332% (0.67 1.0 1.10 1.11) = 5.033% kept HA ILE 48 - HN ASP- 28 20.000% * 1.1308% (0.98 1.0 0.17 0.02) = 1.131% kept HA LYS+ 81 - HN ASP- 28 20.000% * 0.0718% (0.53 1.0 0.02 0.02) = 0.072% HD2 PRO 52 - HN ASP- 28 20.000% * 0.0465% (0.34 1.0 0.02 0.02) = 0.047% 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 = 0.952, support = 2.82, residual support = 10.4: O QB ALA 37 - HN ALA 37 9.091% * 90.9762% (0.96 10.0 2.94 10.90) = 90.976% kept QG2 THR 38 - HN ALA 37 9.091% * 8.1238% (0.96 1.0 1.79 6.43) = 8.124% kept HD3 LYS+ 44 - HN ALA 37 9.091% * 0.4800% (0.89 1.0 0.11 0.02) = 0.480% QB ALA 42 - HN ALA 37 9.091% * 0.0870% (0.92 1.0 0.02 0.02) = 0.087% HG3 LYS+ 108 - HN ALA 37 9.091% * 0.0845% (0.89 1.0 0.02 0.02) = 0.085% HD3 LYS+ 113 - HN ALA 37 9.091% * 0.0572% (0.60 1.0 0.02 0.02) = 0.057% HG3 LYS+ 55 - HN ALA 37 9.091% * 0.0534% (0.56 1.0 0.02 0.02) = 0.053% HD3 LYS+ 20 - HN ALA 37 9.091% * 0.0423% (0.45 1.0 0.02 0.02) = 0.042% HG LEU 74 - HN ALA 37 9.091% * 0.0372% (0.39 1.0 0.02 0.35) = 0.037% HB3 LYS+ 60 - HN ALA 37 9.091% * 0.0322% (0.34 1.0 0.02 0.02) = 0.032% HG LEU 90 - HN ALA 37 9.091% * 0.0262% (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): 15 chemical-shift based assignments, quality = 0.889, support = 2.6, residual support = 9.99: O HA ALA 37 - HN ALA 37 6.667% * 85.9792% (0.89 10.0 2.76 10.90) = 85.979% kept HA THR 38 - HN ALA 37 6.667% * 9.4328% (0.99 1.0 1.99 6.43) = 9.433% kept HA ASN 89 - HN ALA 37 6.667% * 3.7749% (0.77 1.0 1.01 0.14) = 3.775% kept HA VAL 73 - HN ALA 37 6.667% * 0.0959% (0.99 1.0 0.02 0.02) = 0.096% HB3 HIS+ 4 - HN ALA 37 6.667% * 0.0940% (0.98 1.0 0.02 0.02) = 0.094% HA LYS+ 60 - HN ALA 37 6.667% * 0.0907% (0.94 1.0 0.02 0.02) = 0.091% HA2 GLY 26 - HN ALA 37 6.667% * 0.0885% (0.92 1.0 0.02 0.02) = 0.088% HA ASN 57 - HN ALA 37 6.667% * 0.0832% (0.86 1.0 0.02 0.02) = 0.083% HA LYS+ 117 - HN ALA 37 6.667% * 0.0801% (0.83 1.0 0.02 0.02) = 0.080% HA MET 1 - HN ALA 37 6.667% * 0.0696% (0.72 1.0 0.02 0.02) = 0.070% HA TRP 51 - HN ALA 37 6.667% * 0.0620% (0.64 1.0 0.02 0.02) = 0.062% HA1 GLY 26 - HN ALA 37 6.667% * 0.0581% (0.60 1.0 0.02 0.02) = 0.058% HA HIS+ 3 - HN ALA 37 6.667% * 0.0467% (0.48 1.0 0.02 0.02) = 0.047% HA SER 88 - HN ALA 37 6.667% * 0.0296% (0.31 1.0 0.02 0.02) = 0.030% HB THR 61 - HN ALA 37 6.667% * 0.0148% (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 = 0.96, support = 2.3, residual support = 14.6: HB2 ASP- 36 - HN ALA 37 25.000% * 81.8103% (0.99 2.71 17.79) = 81.810% kept HA1 GLY 58 - HN ALA 37 25.000% * 14.0520% (0.91 0.50 0.02) = 14.052% kept HB2 ASP- 115 - HN ALA 37 25.000% * 4.0312% (0.60 0.22 0.02) = 4.031% kept HB3 LYS+ 81 - HN ALA 37 25.000% * 0.1065% (0.17 0.02 0.02) = 0.107% Reference assignment not found: HB3 ASP- 36 - HN ALA 37 Peak 838 (8.88, 7.75, 117.09 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 4.35, residual support = 17.8: * T HN ASP- 36 - HN ALA 37 33.333% * 99.9225% (1.00 10.00 4.36 17.79) = 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 = 0.571, support = 1.72, residual support = 9.77: HB3 ASP- 36 - HN ALA 37 20.000% * 54.8429% (0.24 2.76 17.79) = 54.843% kept HA1 GLY 58 - HN ALA 37 20.000% * 41.5945% (0.99 0.50 0.02) = 41.595% kept HB3 ASP- 82 - HN ALA 37 20.000% * 1.4859% (0.89 0.02 0.02) = 1.486% kept HE2 LYS+ 20 - HN ALA 37 20.000% * 1.0718% (0.64 0.02 0.02) = 1.072% kept HB2 ASP- 25 - HN ALA 37 20.000% * 1.0049% (0.60 0.02 0.02) = 1.005% kept Peak 840 (1.95, 7.75, 117.09 ppm): 12 chemical-shift based assignments, quality = 0.615, support = 0.874, residual support = 0.271: HB3 PRO 35 - HN ALA 37 8.333% * 33.1523% (0.20 2.07 0.78) = 33.152% kept HG3 PRO 116 - HN ALA 37 8.333% * 30.2144% (0.92 0.40 0.02) = 30.214% kept HB VAL 13 - HN ALA 37 8.333% * 14.1409% (0.89 0.19 0.02) = 14.141% kept HB2 PRO 116 - HN ALA 37 8.333% * 13.1889% (0.56 0.29 0.02) = 13.189% kept HG3 PRO 31 - HN ALA 37 8.333% * 1.6068% (0.99 0.02 0.02) = 1.607% kept HB3 LYS+ 55 - HN ALA 37 8.333% * 1.5890% (0.98 0.02 0.02) = 1.589% kept HB2 GLU- 75 - HN ALA 37 8.333% * 1.4062% (0.86 0.02 0.02) = 1.406% kept HB VAL 122 - HN ALA 37 8.333% * 1.3541% (0.83 0.02 0.02) = 1.354% kept HB3 GLU- 109 - HN ALA 37 8.333% * 1.2981% (0.80 0.02 0.02) = 1.298% kept HG2 PRO 112 - HN ALA 37 8.333% * 1.0487% (0.64 0.02 0.02) = 1.049% kept HG3 PRO 104 - HN ALA 37 8.333% * 0.5004% (0.31 0.02 0.02) = 0.500% HB ILE 29 - HN ALA 37 8.333% * 0.5004% (0.31 0.02 0.02) = 0.500% Peak 841 (4.01, 7.75, 117.09 ppm): 8 chemical-shift based assignments, quality = 0.836, support = 1.4, residual support = 2.93: HB THR 38 - HN ALA 37 12.500% * 44.8041% (0.76 2.12 6.43) = 44.804% kept HA ASN 89 - HN ALA 37 12.500% * 27.8224% (0.99 1.01 0.14) = 27.822% kept HB THR 39 - HN ALA 37 12.500% * 16.4899% (0.76 0.78 0.02) = 16.490% kept HA LYS+ 44 - HN ALA 37 12.500% * 9.6698% (0.98 0.36 0.02) = 9.670% kept HB3 SER 77 - HN ALA 37 12.500% * 0.4726% (0.85 0.02 0.02) = 0.473% HB3 HIS+ 5 - HN ALA 37 12.500% * 0.4007% (0.72 0.02 0.02) = 0.401% HB THR 95 - HN ALA 37 12.500% * 0.1703% (0.31 0.02 0.02) = 0.170% HA1 GLY 92 - HN ALA 37 12.500% * 0.1703% (0.31 0.02 0.02) = 0.170% 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): 20 chemical-shift based assignments, quality = 0.983, support = 3.44, residual support = 10.2: * O HA GLU- 54 - HN GLU- 54 5.000% * 97.7736% (0.99 10.0 3.52 10.45) = 97.774% kept HA GLU- 18 - HN GLU- 54 5.000% * 1.2596% (0.96 1.0 0.27 0.02) = 1.260% kept HA HIS+ 8 - HN GLU- 54 5.000% * 0.0971% (0.99 1.0 0.02 0.02) = 0.097% HA SER 49 - HN GLU- 54 5.000% * 0.0961% (0.98 1.0 0.02 0.02) = 0.096% HA ASN 89 - HN GLU- 54 5.000% * 0.0903% (0.92 1.0 0.02 0.02) = 0.090% HA PRO 59 - HN GLU- 54 5.000% * 0.0749% (0.76 1.0 0.02 0.02) = 0.075% HA LYS+ 108 - HN GLU- 54 5.000% * 0.0712% (0.72 1.0 0.02 0.02) = 0.071% HA ALA 42 - HN GLU- 54 5.000% * 0.0673% (0.68 1.0 0.02 0.02) = 0.067% HA LYS+ 110 - HN GLU- 54 5.000% * 0.0634% (0.64 1.0 0.02 0.02) = 0.063% HB3 SER 49 - HN GLU- 54 5.000% * 0.0594% (0.60 1.0 0.02 0.02) = 0.059% HA HIS+ 4 - HN GLU- 54 5.000% * 0.0555% (0.56 1.0 0.02 0.02) = 0.055% HA GLU- 12 - HN GLU- 54 5.000% * 0.0555% (0.56 1.0 0.02 0.02) = 0.055% HA2 GLY 114 - HN GLU- 54 5.000% * 0.0439% (0.45 1.0 0.02 0.02) = 0.044% HA VAL 73 - HN GLU- 54 5.000% * 0.0408% (0.41 1.0 0.02 0.02) = 0.041% HA ALA 11 - HN GLU- 54 5.000% * 0.0368% (0.37 1.0 0.02 0.02) = 0.037% HA GLU- 56 - HN GLU- 54 5.000% * 0.0334% (0.34 1.0 0.02 0.02) = 0.033% HB3 HIS+ 14 - HN GLU- 54 5.000% * 0.0272% (0.28 1.0 0.02 0.02) = 0.027% HA GLU- 109 - HN GLU- 54 5.000% * 0.0218% (0.22 1.0 0.02 0.02) = 0.022% HA GLU- 75 - HN GLU- 54 5.000% * 0.0172% (0.17 1.0 0.02 0.02) = 0.017% HA LYS+ 44 - HN GLU- 54 5.000% * 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 = 3.24, residual support = 12.9: * T HN LYS+ 55 - HN GLU- 54 20.000% * 99.2535% (0.89 10.00 3.27 13.04) = 99.254% kept HN LYS+ 63 - HN GLU- 54 20.000% * 0.5159% (0.25 1.00 0.37 0.02) = 0.516% 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 = 0.726, support = 2.34, residual support = 4.52: * HG3 GLU- 54 - HN GLU- 54 7.143% * 41.6789% (0.60 3.86 10.45) = 41.679% kept HB3 PRO 52 - HN GLU- 54 7.143% * 30.6634% (0.86 1.98 0.54) = 30.663% kept HB2 GLU- 50 - HN GLU- 54 7.143% * 11.3672% (0.99 0.64 0.02) = 11.367% kept HG3 GLU- 75 - HN GLU- 54 7.143% * 5.3044% (0.64 0.46 0.02) = 5.304% kept HG3 GLU- 18 - HN GLU- 54 7.143% * 4.7355% (0.99 0.27 0.02) = 4.736% kept HA1 GLY 58 - HN GLU- 54 7.143% * 2.5370% (0.36 0.40 0.02) = 2.537% kept HG2 GLU- 56 - HN GLU- 54 7.143% * 1.9550% (0.34 0.32 0.02) = 1.955% kept HG3 GLU- 107 - HN GLU- 54 7.143% * 0.3563% (1.00 0.02 0.02) = 0.356% HG3 GLU- 109 - HN GLU- 54 7.143% * 0.3439% (0.96 0.02 0.02) = 0.344% HG3 MET 118 - HN GLU- 54 7.143% * 0.3371% (0.94 0.02 0.02) = 0.337% HG3 MET 126 - HN GLU- 54 7.143% * 0.3289% (0.92 0.02 0.02) = 0.329% HB2 LYS+ 113 - HN GLU- 54 7.143% * 0.1597% (0.45 0.02 0.02) = 0.160% HG3 GLU- 10 - HN GLU- 54 7.143% * 0.1337% (0.37 0.02 0.02) = 0.134% HG2 MET 126 - HN GLU- 54 7.143% * 0.0991% (0.28 0.02 0.02) = 0.099% Peak 855 (2.05, 9.07, 116.60 ppm): 13 chemical-shift based assignments, quality = 0.561, support = 2.51, residual support = 14.6: * HG3 ARG+ 53 - HN GLU- 54 7.692% * 78.5696% (0.56 3.14 18.64) = 78.570% kept HB3 GLU- 75 - HN GLU- 54 7.692% * 9.2036% (0.74 0.28 0.02) = 9.204% kept HB VAL 62 - HN GLU- 54 7.692% * 5.6826% (0.83 0.15 0.02) = 5.683% kept HA1 GLY 58 - HN GLU- 54 7.692% * 2.3787% (0.14 0.40 0.02) = 2.379% kept HB2 GLU- 45 - HN GLU- 54 7.692% * 0.8760% (0.99 0.02 0.02) = 0.876% HB3 GLU- 10 - HN GLU- 54 7.692% * 0.8530% (0.96 0.02 0.02) = 0.853% HG3 PRO 86 - HN GLU- 54 7.692% * 0.7383% (0.83 0.02 0.02) = 0.738% HB3 LYS+ 110 - HN GLU- 54 7.692% * 0.5361% (0.60 0.02 0.02) = 0.536% HB3 GLU- 107 - HN GLU- 54 7.692% * 0.3963% (0.45 0.02 0.02) = 0.396% HB3 GLU- 45 - HN GLU- 54 7.692% * 0.2728% (0.31 0.02 0.02) = 0.273% HB3 LYS+ 120 - HN GLU- 54 7.692% * 0.2204% (0.25 0.02 0.02) = 0.220% HB3 PRO 31 - HN GLU- 54 7.692% * 0.1364% (0.15 0.02 0.02) = 0.136% HB2 LYS+ 44 - HN GLU- 54 7.692% * 0.1364% (0.15 0.02 0.02) = 0.136% Peak 856 (1.91, 9.07, 116.60 ppm): 16 chemical-shift based assignments, quality = 0.978, support = 2.39, residual support = 10.2: * O HB3 GLU- 54 - HN GLU- 54 6.250% * 97.4649% (1.00 10.0 2.45 10.45) = 97.465% kept HB3 GLU- 56 - HN GLU- 54 6.250% * 1.1384% (0.72 1.0 0.32 0.02) = 1.138% kept HG2 GLU- 18 - HN GLU- 54 6.250% * 0.7350% (0.56 1.0 0.27 0.02) = 0.735% HB3 GLN 102 - HN GLU- 54 6.250% * 0.0972% (0.99 1.0 0.02 0.02) = 0.097% HB3 MET 118 - HN GLU- 54 6.250% * 0.0941% (0.96 1.0 0.02 0.02) = 0.094% HD3 LYS+ 63 - HN GLU- 54 6.250% * 0.0900% (0.92 1.0 0.02 0.02) = 0.090% HB3 CYS 123 - HN GLU- 54 6.250% * 0.0780% (0.80 1.0 0.02 0.02) = 0.078% HB2 LEU 23 - HN GLU- 54 6.250% * 0.0669% (0.68 1.0 0.02 0.02) = 0.067% HB3 PRO 35 - HN GLU- 54 6.250% * 0.0552% (0.56 1.0 0.02 0.02) = 0.055% HB3 GLN 16 - HN GLU- 54 6.250% * 0.0437% (0.45 1.0 0.02 0.02) = 0.044% HB ILE 29 - HN GLU- 54 6.250% * 0.0401% (0.41 1.0 0.02 0.02) = 0.040% HB2 GLU- 10 - HN GLU- 54 6.250% * 0.0301% (0.31 1.0 0.02 0.02) = 0.030% HB2 PRO 116 - HN GLU- 54 6.250% * 0.0193% (0.20 1.0 0.02 0.02) = 0.019% HG3 LYS+ 120 - HN GLU- 54 6.250% * 0.0171% (0.17 1.0 0.02 0.02) = 0.017% HB3 ARG+ 84 - HN GLU- 54 6.250% * 0.0150% (0.15 1.0 0.02 0.02) = 0.015% HG2 PRO 112 - HN GLU- 54 6.250% * 0.0150% (0.15 1.0 0.02 0.02) = 0.015% Peak 857 (4.12, 9.07, 116.60 ppm): 10 chemical-shift based assignments, quality = 0.955, support = 3.26, residual support = 18.5: * O HA ARG+ 53 - HN GLU- 54 10.000% * 99.4057% (0.96 10.0 3.28 18.64) = 99.406% kept HB THR 106 - HN GLU- 54 10.000% * 0.1028% (0.99 1.0 0.02 0.02) = 0.103% HA ASN 89 - HN GLU- 54 10.000% * 0.1021% (0.99 1.0 0.02 0.02) = 0.102% HA THR 46 - HN GLU- 54 10.000% * 0.0974% (0.94 1.0 0.02 0.02) = 0.097% HA VAL 105 - HN GLU- 54 10.000% * 0.0748% (0.72 1.0 0.02 0.02) = 0.075% HA LYS+ 44 - HN GLU- 54 10.000% * 0.0613% (0.59 1.0 0.02 0.02) = 0.061% HD2 PRO 59 - HN GLU- 54 10.000% * 0.0583% (0.56 1.0 0.02 0.02) = 0.058% HA ALA 70 - HN GLU- 54 10.000% * 0.0387% (0.37 1.0 0.02 0.02) = 0.039% HA2 GLY 71 - HN GLU- 54 10.000% * 0.0387% (0.37 1.0 0.02 0.02) = 0.039% HB2 SER 88 - HN GLU- 54 10.000% * 0.0204% (0.20 1.0 0.02 0.02) = 0.020% Peak 858 (8.43, 9.07, 116.60 ppm): 7 chemical-shift based assignments, quality = 0.977, support = 3.18, residual support = 18.1: * T HN ARG+ 53 - HN GLU- 54 14.286% * 97.0775% (0.99 10.00 3.28 18.64) = 97.077% kept HN GLU- 75 - HN GLU- 54 14.286% * 1.3786% (0.99 1.00 0.29 0.02) = 1.379% kept T HN CYS 123 - HN GLU- 54 14.286% * 0.9643% (0.99 10.00 0.02 0.02) = 0.964% HN LEU 74 - HN GLU- 54 14.286% * 0.3947% (0.52 1.00 0.15 0.02) = 0.395% HN HIS+ 14 - HN GLU- 54 14.286% * 0.0844% (0.86 1.00 0.02 0.02) = 0.084% HN HIS+ 6 - HN GLU- 54 14.286% * 0.0813% (0.83 1.00 0.02 0.02) = 0.081% HN LYS+ 113 - HN GLU- 54 14.286% * 0.0193% (0.20 1.00 0.02 0.02) = 0.019% Peak 859 (1.78, 9.07, 116.60 ppm): 14 chemical-shift based assignments, quality = 0.941, support = 4.47, residual support = 15.6: * HB3 ARG+ 53 - HN GLU- 54 7.143% * 83.8196% (0.98 5.25 18.64) = 83.820% kept HB3 GLU- 18 - HN GLU- 54 7.143% * 8.8543% (0.98 0.55 0.02) = 8.854% kept HB3 LYS+ 63 - HN GLU- 54 7.143% * 5.4500% (0.68 0.49 0.02) = 5.450% kept HB3 PRO 116 - HN GLU- 54 7.143% * 0.2827% (0.86 0.02 0.02) = 0.283% HG2 PRO 31 - HN GLU- 54 7.143% * 0.2723% (0.83 0.02 0.02) = 0.272% HB3 HIS+ 7 - HN GLU- 54 7.143% * 0.1715% (0.52 0.02 0.02) = 0.171% HB2 ARG+ 84 - HN GLU- 54 7.143% * 0.1715% (0.52 0.02 0.02) = 0.171% HB2 LYS+ 117 - HN GLU- 54 7.143% * 0.1587% (0.48 0.02 0.02) = 0.159% HB3 LYS+ 113 - HN GLU- 54 7.143% * 0.1587% (0.48 0.02 0.02) = 0.159% HB3 LYS+ 108 - HN GLU- 54 7.143% * 0.1461% (0.45 0.02 0.02) = 0.146% HB2 HIS+ 7 - HN GLU- 54 7.143% * 0.1461% (0.45 0.02 0.02) = 0.146% HB3 LYS+ 117 - HN GLU- 54 7.143% * 0.1340% (0.41 0.02 0.02) = 0.134% HB VAL 94 - HN GLU- 54 7.143% * 0.1340% (0.41 0.02 0.02) = 0.134% HB3 LYS+ 44 - HN GLU- 54 7.143% * 0.1006% (0.31 0.02 0.02) = 0.101% Peak 860 (4.02, 7.87, 116.41 ppm): 7 chemical-shift based assignments, quality = 0.97, support = 3.58, residual support = 14.0: * O HB THR 38 - HN THR 38 14.286% * 91.8928% (1.00 10.0 3.75 14.85) = 91.893% kept HB THR 39 - HN THR 38 14.286% * 4.1034% (0.34 1.0 2.62 7.52) = 4.103% kept HA ASN 89 - HN THR 38 14.286% * 2.6360% (1.00 1.0 0.58 0.02) = 2.636% kept HA LYS+ 44 - HN THR 38 14.286% * 1.2444% (0.96 1.0 0.28 0.50) = 1.244% kept HB3 SER 77 - HN THR 38 14.286% * 0.0695% (0.76 1.0 0.02 0.02) = 0.069% HB3 HIS+ 5 - HN THR 38 14.286% * 0.0284% (0.31 1.0 0.02 0.02) = 0.028% HB3 SER 85 - HN THR 38 14.286% * 0.0255% (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): 12 chemical-shift based assignments, quality = 0.914, support = 3.15, residual support = 9.45: * QG2 THR 38 - HN THR 38 8.333% * 44.8435% (1.00 3.43 14.85) = 44.844% kept QB ALA 37 - HN THR 38 8.333% * 41.7635% (1.00 3.19 6.43) = 41.764% kept HG LEU 74 - HN THR 38 8.333% * 12.2050% (0.40 2.30 0.81) = 12.205% kept QB ALA 42 - HN THR 38 8.333% * 0.2595% (0.99 0.02 1.84) = 0.259% HG3 LYS+ 108 - HN THR 38 8.333% * 0.2001% (0.76 0.02 0.02) = 0.200% HD3 LYS+ 44 - HN THR 38 8.333% * 0.2001% (0.76 0.02 0.50) = 0.200% HD3 LYS+ 20 - HN THR 38 8.333% * 0.1588% (0.61 0.02 0.02) = 0.159% HD3 LYS+ 113 - HN THR 38 8.333% * 0.1174% (0.45 0.02 0.02) = 0.117% HG3 LYS+ 55 - HN THR 38 8.333% * 0.1076% (0.41 0.02 0.02) = 0.108% HB3 LYS+ 60 - HN THR 38 8.333% * 0.0583% (0.22 0.02 0.02) = 0.058% HG LEU 90 - HN THR 38 8.333% * 0.0458% (0.17 0.02 0.02) = 0.046% HB2 LYS+ 20 - HN THR 38 8.333% * 0.0404% (0.15 0.02 0.02) = 0.040% 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 0.22 Peak unassigned. Peak 864 (0.90, 7.87, 116.41 ppm): 14 chemical-shift based assignments, quality = 0.775, support = 1.05, residual support = 0.554: HG LEU 74 - HN THR 38 7.143% * 28.3312% (0.56 2.30 0.81) = 28.331% kept QG1 VAL 80 - HN THR 38 7.143% * 15.1244% (0.73 0.96 1.75) = 15.124% kept QD1 LEU 67 - HN THR 38 7.143% * 15.0330% (1.00 0.69 0.10) = 15.033% kept HG13 ILE 68 - HN THR 38 7.143% * 9.3287% (0.98 0.44 0.02) = 9.329% kept QG2 VAL 87 - HN THR 38 7.143% * 7.7316% (0.99 0.36 0.02) = 7.732% kept QG1 VAL 47 - HN THR 38 7.143% * 7.6675% (1.00 0.35 0.02) = 7.667% kept QG2 VAL 105 - HN THR 38 7.143% * 7.5282% (0.99 0.35 0.02) = 7.528% kept QG2 VAL 73 - HN THR 38 7.143% * 4.2915% (0.49 0.40 0.86) = 4.292% kept QG2 VAL 47 - HN THR 38 7.143% * 2.2153% (0.41 0.25 0.02) = 2.215% kept QG1 VAL 40 - HN THR 38 7.143% * 2.0755% (0.34 0.28 0.02) = 2.076% kept QG1 VAL 122 - HN THR 38 7.143% * 0.2467% (0.57 0.02 0.02) = 0.247% QG2 VAL 99 - HN THR 38 7.143% * 0.1954% (0.45 0.02 0.02) = 0.195% QG2 VAL 125 - HN THR 38 7.143% * 0.1636% (0.37 0.02 0.02) = 0.164% QG2 VAL 122 - HN THR 38 7.143% * 0.0672% (0.15 0.02 0.02) = 0.067% Peak 865 (4.37, 7.87, 116.41 ppm): 14 chemical-shift based assignments, quality = 0.967, support = 2.17, residual support = 10.5: * O HA THR 38 - HN THR 38 7.143% * 50.0301% (1.00 10.0 2.40 14.85) = 50.030% kept O HA ALA 37 - HN THR 38 7.143% * 47.3265% (0.94 10.0 2.03 6.43) = 47.326% kept HA VAL 73 - HN THR 38 7.143% * 1.1705% (1.00 1.0 0.47 0.86) = 1.170% kept HA ASN 89 - HN THR 38 7.143% * 1.1144% (0.77 1.0 0.58 0.02) = 1.114% kept HA LYS+ 60 - HN THR 38 7.143% * 0.0490% (0.98 1.0 0.02 0.02) = 0.049% HB3 HIS+ 4 - HN THR 38 7.143% * 0.0473% (0.94 1.0 0.02 0.02) = 0.047% HA ASN 57 - HN THR 38 7.143% * 0.0462% (0.92 1.0 0.02 0.02) = 0.046% HA2 GLY 26 - HN THR 38 7.143% * 0.0434% (0.87 1.0 0.02 0.02) = 0.043% HA LYS+ 117 - HN THR 38 7.143% * 0.0382% (0.76 1.0 0.02 0.02) = 0.038% HA TRP 51 - HN THR 38 7.143% * 0.0363% (0.73 1.0 0.02 0.02) = 0.036% HA MET 1 - HN THR 38 7.143% * 0.0324% (0.65 1.0 0.02 0.02) = 0.032% HA1 GLY 26 - HN THR 38 7.143% * 0.0263% (0.53 1.0 0.02 0.02) = 0.026% HA HIS+ 3 - HN THR 38 7.143% * 0.0206% (0.41 1.0 0.02 0.02) = 0.021% HA SER 88 - HN THR 38 7.143% * 0.0188% (0.37 1.0 0.02 0.02) = 0.019% Peak 866 (8.57, 7.87, 116.41 ppm): 4 chemical-shift based assignments, quality = 0.847, support = 3.17, residual support = 6.43: * T HN THR 39 - HN THR 38 25.000% * 82.3139% (0.83 10.00 3.41 7.52) = 82.314% kept HN VAL 80 - HN THR 38 25.000% * 10.5718% (0.87 1.00 2.47 1.75) = 10.572% kept HN VAL 73 - HN THR 38 25.000% * 7.0897% (0.96 1.00 1.49 0.86) = 7.090% kept HN LYS+ 20 - HN THR 38 25.000% * 0.0246% (0.25 1.00 0.02 0.02) = 0.025% Peak 867 (2.25, 7.87, 116.41 ppm): 9 chemical-shift based assignments, quality = 0.913, support = 0.568, residual support = 1.47: HB VAL 80 - HN THR 38 11.111% * 83.5626% (0.98 0.67 1.75) = 83.563% kept HG3 GLU- 75 - HN THR 38 11.111% * 8.3638% (0.61 0.11 0.02) = 8.364% kept HG2 GLU- 56 - HN THR 38 11.111% * 2.2918% (0.90 0.02 0.02) = 2.292% kept HG3 GLU- 10 - HN THR 38 11.111% * 2.2167% (0.87 0.02 0.02) = 2.217% kept HA1 GLY 58 - HN THR 38 11.111% * 1.0537% (0.41 0.02 0.02) = 1.054% kept HB3 PRO 52 - HN THR 38 11.111% * 0.9591% (0.37 0.02 0.02) = 0.959% HG3 MET 118 - HN THR 38 11.111% * 0.7105% (0.28 0.02 0.02) = 0.711% HG3 GLU- 18 - HN THR 38 11.111% * 0.4475% (0.17 0.02 0.02) = 0.448% HG3 GLU- 107 - HN THR 38 11.111% * 0.3943% (0.15 0.02 0.02) = 0.394% 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): 14 chemical-shift based assignments, quality = 0.883, support = 3.58, residual support = 10.9: * QG2 VAL 87 - HN VAL 87 7.143% * 72.4068% (0.92 4.76 14.98) = 72.407% kept HG LEU 74 - HN VAL 87 7.143% * 8.3910% (0.55 0.92 0.02) = 8.391% kept QG1 VAL 47 - HN VAL 87 7.143% * 5.6414% (0.98 0.35 0.02) = 5.641% kept QD1 LEU 67 - HN VAL 87 7.143% * 5.3279% (0.94 0.34 0.02) = 5.328% kept HG13 ILE 68 - HN VAL 87 7.143% * 5.3229% (0.90 0.36 0.02) = 5.323% kept QG2 VAL 105 - HN VAL 87 7.143% * 1.5668% (0.99 0.10 0.02) = 1.567% kept QG1 VAL 80 - HN VAL 87 7.143% * 0.2862% (0.87 0.02 0.02) = 0.286% QG1 VAL 122 - HN VAL 87 7.143% * 0.2396% (0.73 0.02 0.02) = 0.240% QG2 VAL 47 - HN VAL 87 7.143% * 0.1868% (0.57 0.02 0.02) = 0.187% QG2 VAL 125 - HN VAL 87 7.143% * 0.1736% (0.53 0.02 0.02) = 0.174% QG1 VAL 40 - HN VAL 87 7.143% * 0.1606% (0.49 0.02 0.02) = 0.161% QG2 VAL 73 - HN VAL 87 7.143% * 0.1125% (0.34 0.02 0.02) = 0.113% QG2 VAL 99 - HN VAL 87 7.143% * 0.1018% (0.31 0.02 0.02) = 0.102% QG2 VAL 122 - HN VAL 87 7.143% * 0.0823% (0.25 0.02 0.02) = 0.082% Peak 870 (4.46, 7.79, 116.60 ppm): 11 chemical-shift based assignments, quality = 0.971, support = 3.05, residual support = 7.85: * O HA PRO 86 - HN VAL 87 9.091% * 91.6831% (1.00 10.0 3.19 8.41) = 91.683% kept HA ASN 89 - HN VAL 87 9.091% * 5.7919% (0.65 1.0 1.94 2.34) = 5.792% kept HA GLU- 50 - HN VAL 87 9.091% * 1.9998% (0.87 1.0 0.50 0.20) = 2.000% kept HA LYS+ 32 - HN VAL 87 9.091% * 0.0909% (0.99 1.0 0.02 0.02) = 0.091% HA ILE 100 - HN VAL 87 9.091% * 0.0909% (0.99 1.0 0.02 0.02) = 0.091% HA ALA 103 - HN VAL 87 9.091% * 0.0899% (0.98 1.0 0.02 0.02) = 0.090% HA ILE 101 - HN VAL 87 9.091% * 0.0899% (0.98 1.0 0.02 0.02) = 0.090% HA VAL 99 - HN VAL 87 9.091% * 0.0666% (0.73 1.0 0.02 0.02) = 0.067% HA VAL 73 - HN VAL 87 9.091% * 0.0575% (0.63 1.0 0.02 0.02) = 0.058% HA ASN 76 - HN VAL 87 9.091% * 0.0255% (0.28 1.0 0.02 0.02) = 0.025% HA CYS 123 - HN VAL 87 9.091% * 0.0141% (0.15 1.0 0.02 0.02) = 0.014% Peak 871 (4.15, 7.79, 116.60 ppm): 7 chemical-shift based assignments, quality = 0.926, support = 1.96, residual support = 8.71: HB2 SER 88 - HN VAL 87 14.286% * 48.2263% (0.98 2.20 15.95) = 48.226% kept HA ASN 89 - HN VAL 87 14.286% * 42.5275% (0.98 1.94 2.34) = 42.527% kept HA LYS+ 44 - HN VAL 87 14.286% * 8.4148% (0.46 0.82 0.32) = 8.415% kept HA2 GLY 71 - HN VAL 87 14.286% * 0.3735% (0.83 0.02 0.02) = 0.374% HD2 PRO 59 - HN VAL 87 14.286% * 0.2893% (0.65 0.02 0.02) = 0.289% HA ARG+ 53 - HN VAL 87 14.286% * 0.0996% (0.22 0.02 0.02) = 0.100% HB THR 106 - HN VAL 87 14.286% * 0.0690% (0.15 0.02 0.02) = 0.069% Peak 872 (2.11, 7.79, 116.60 ppm): 12 chemical-shift based assignments, quality = 0.833, support = 2.52, residual support = 14.0: * O HB VAL 87 - HN VAL 87 8.333% * 93.2839% (0.83 10.0 2.67 14.98) = 93.284% kept HG3 GLU- 56 - HN VAL 87 8.333% * 3.4781% (0.96 1.0 0.65 0.02) = 3.478% kept HB3 GLU- 75 - HN VAL 87 8.333% * 2.1925% (0.98 1.0 0.40 0.02) = 2.193% kept HA1 GLY 58 - HN VAL 87 8.333% * 0.5906% (0.19 1.0 0.54 0.19) = 0.591% HB3 LEU 43 - HN VAL 87 8.333% * 0.1095% (0.98 1.0 0.02 0.02) = 0.109% HB VAL 65 - HN VAL 87 8.333% * 0.0969% (0.87 1.0 0.02 0.02) = 0.097% HB VAL 125 - HN VAL 87 8.333% * 0.0632% (0.57 1.0 0.02 0.02) = 0.063% HB2 LEU 43 - HN VAL 87 8.333% * 0.0588% (0.53 1.0 0.02 0.02) = 0.059% HB2 LYS+ 110 - HN VAL 87 8.333% * 0.0501% (0.45 1.0 0.02 0.02) = 0.050% HD3 LYS+ 110 - HN VAL 87 8.333% * 0.0419% (0.37 1.0 0.02 0.02) = 0.042% HB VAL 47 - HN VAL 87 8.333% * 0.0172% (0.15 1.0 0.02 0.02) = 0.017% HB2 ASP- 28 - HN VAL 87 8.333% * 0.0172% (0.15 1.0 0.02 0.02) = 0.017% Peak 873 (3.85, 7.79, 116.60 ppm): 10 chemical-shift based assignments, quality = 0.664, support = 3.58, residual support = 12.0: * O HA VAL 87 - HN VAL 87 10.000% * 55.7736% (0.53 10.0 3.94 14.98) = 55.774% kept HD3 PRO 86 - HN VAL 87 10.000% * 21.4344% (0.98 1.0 4.13 8.41) = 21.434% kept HB3 SER 88 - HN VAL 87 10.000% * 10.0262% (0.65 1.0 2.92 15.95) = 10.026% kept HA ASN 89 - HN VAL 87 10.000% * 9.1958% (0.89 1.0 1.94 2.34) = 9.196% kept HA LYS+ 44 - HN VAL 87 10.000% * 2.4564% (0.56 1.0 0.82 0.32) = 2.456% kept HB2 SER 85 - HN VAL 87 10.000% * 0.9404% (0.25 1.0 0.71 0.02) = 0.940% HA VAL 13 - HN VAL 87 10.000% * 0.0558% (0.53 1.0 0.02 0.02) = 0.056% HA ILE 48 - HN VAL 87 10.000% * 0.0541% (0.51 1.0 0.02 0.02) = 0.054% HA2 GLY 92 - HN VAL 87 10.000% * 0.0398% (0.37 1.0 0.02 0.02) = 0.040% HD3 PRO 116 - HN VAL 87 10.000% * 0.0236% (0.22 1.0 0.02 0.02) = 0.024% Peak 874 (8.12, 7.79, 116.60 ppm): 6 chemical-shift based assignments, quality = 0.919, support = 3.79, residual support = 15.9: * T HN SER 88 - HN VAL 87 16.667% * 99.7023% (0.92 10.00 3.81 15.95) = 99.702% kept HN GLY 26 - HN VAL 87 16.667% * 0.1078% (1.00 1.00 0.02 0.02) = 0.108% HN GLY 2 - HN VAL 87 16.667% * 0.0742% (0.69 1.00 0.02 0.02) = 0.074% HN HIS+ 3 - HN VAL 87 16.667% * 0.0742% (0.69 1.00 0.02 0.02) = 0.074% HN VAL 122 - HN VAL 87 16.667% * 0.0269% (0.25 1.00 0.02 0.02) = 0.027% HN SER 77 - HN VAL 87 16.667% * 0.0146% (0.14 1.00 0.02 0.02) = 0.015% Peak 875 (2.32, 7.79, 116.60 ppm): 8 chemical-shift based assignments, quality = 0.684, support = 2.65, residual support = 8.26: O HB3 PRO 86 - HN VAL 87 12.500% * 80.6049% (0.80 10.0 2.51 8.41) = 80.605% kept O HB2 PRO 86 - HN VAL 87 12.500% * 17.6292% (0.17 10.0 3.46 8.41) = 17.629% kept HA1 GLY 58 - HN VAL 87 12.500% * 1.5260% (0.56 1.0 0.54 0.19) = 1.526% kept HB2 TYR 83 - HN VAL 87 12.500% * 0.0952% (0.94 1.0 0.02 0.02) = 0.095% HB2 HIS+ 3 - HN VAL 87 12.500% * 0.0530% (0.53 1.0 0.02 0.02) = 0.053% HG3 GLU- 64 - HN VAL 87 12.500% * 0.0451% (0.45 1.0 0.02 0.02) = 0.045% HG3 GLU- 50 - HN VAL 87 12.500% * 0.0311% (0.31 1.0 0.02 0.20) = 0.031% HB2 CYS 121 - HN VAL 87 12.500% * 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 = 3.52, residual support = 10.3: * HN ARG+ 84 - HN TYR 83 14.286% * 96.9397% (0.96 3.63 10.59) = 96.940% kept QE PHE 34 - HN TYR 83 14.286% * 1.2752% (0.45 0.10 0.02) = 1.275% kept HN VAL 47 - HN TYR 83 14.286% * 0.5234% (0.94 0.02 0.19) = 0.523% QD PHE 34 - HN TYR 83 14.286% * 0.4962% (0.90 0.02 0.02) = 0.496% HN ILE 48 - HN TYR 83 14.286% * 0.2693% (0.49 0.02 0.02) = 0.269% HZ PHE 34 - HN TYR 83 14.286% * 0.2481% (0.45 0.02 0.02) = 0.248% HZ2 TRP 51 - HN TYR 83 14.286% * 0.2481% (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): 7 chemical-shift based assignments, quality = 0.789, support = 3.51, residual support = 52.1: O HB2 TYR 83 - HN TYR 83 14.286% * 96.5030% (0.80 10.0 3.61 54.00) = 96.503% kept HA1 GLY 58 - HN TYR 83 14.286% * 3.2056% (0.55 1.0 0.97 0.92) = 3.206% kept HB3 PRO 86 - HN TYR 83 14.286% * 0.1140% (0.94 1.0 0.02 0.02) = 0.114% HG3 GLU- 64 - HN TYR 83 14.286% * 0.0780% (0.65 1.0 0.02 0.02) = 0.078% HB2 HIS+ 3 - HN TYR 83 14.286% * 0.0411% (0.34 1.0 0.02 0.02) = 0.041% HB2 PRO 86 - HN TYR 83 14.286% * 0.0372% (0.31 1.0 0.02 0.02) = 0.037% HG3 GLU- 50 - HN TYR 83 14.286% * 0.0211% (0.17 1.0 0.02 0.02) = 0.021% Peak 879 (7.05, 7.66, 116.50 ppm): 3 chemical-shift based assignments, quality = 0.876, support = 4.41, residual support = 44.7: QD TYR 83 - HN TYR 83 33.333% * 82.7234% (0.87 5.22 54.00) = 82.723% kept HE21 GLN 16 - HN TYR 83 33.333% * 9.3611% (0.94 0.54 0.58) = 9.361% kept QE PHE 21 - HN TYR 83 33.333% * 7.9155% (0.90 0.48 0.02) = 7.916% kept Peak 880 (3.36, 7.66, 116.50 ppm): 2 chemical-shift based assignments, quality = 0.981, support = 3.56, residual support = 52.7: * O HB3 TYR 83 - HN TYR 83 50.000% * 97.5307% (1.00 10.0 3.61 54.00) = 97.531% kept HA ASN 89 - HN TYR 83 50.000% * 2.4693% (0.29 1.0 1.76 1.51) = 2.469% kept Peak 881 (4.21, 7.66, 116.50 ppm): 17 chemical-shift based assignments, quality = 0.738, support = 3.62, residual support = 15.8: * O HA ASP- 82 - HN TYR 83 5.882% * 88.7667% (0.73 10.0 3.88 17.58) = 88.767% kept HA ASN 89 - HN TYR 83 5.882% * 10.0745% (0.94 1.0 1.76 1.51) = 10.075% kept HA ALA 11 - HN TYR 83 5.882% * 0.1222% (1.00 1.0 0.02 0.02) = 0.122% HB3 HIS+ 14 - HN TYR 83 5.882% * 0.1198% (0.98 1.0 0.02 0.02) = 0.120% HA GLU- 109 - HN TYR 83 5.882% * 0.1156% (0.94 1.0 0.02 0.02) = 0.116% HA GLU- 12 - HN TYR 83 5.882% * 0.1156% (0.94 1.0 0.02 0.02) = 0.116% HB3 SER 49 - HN TYR 83 5.882% * 0.1128% (0.92 1.0 0.02 0.02) = 0.113% HA LYS+ 110 - HN TYR 83 5.882% * 0.1096% (0.90 1.0 0.02 0.02) = 0.110% HA ALA 42 - HN TYR 83 5.882% * 0.1060% (0.87 1.0 0.02 0.02) = 0.106% HA GLU- 18 - HN TYR 83 5.882% * 0.0643% (0.53 1.0 0.02 0.02) = 0.064% HA SER 49 - HN TYR 83 5.882% * 0.0595% (0.49 1.0 0.02 0.02) = 0.060% HA GLU- 64 - HN TYR 83 5.882% * 0.0548% (0.45 1.0 0.02 0.02) = 0.055% HA GLU- 54 - HN TYR 83 5.882% * 0.0503% (0.41 1.0 0.02 0.02) = 0.050% HA VAL 73 - HN TYR 83 5.882% * 0.0378% (0.31 1.0 0.02 0.02) = 0.038% HA HIS+ 8 - HN TYR 83 5.882% * 0.0377% (0.31 1.0 0.02 0.02) = 0.038% HA MET 126 - HN TYR 83 5.882% * 0.0272% (0.22 1.0 0.02 0.02) = 0.027% HA LYS+ 44 - HN TYR 83 5.882% * 0.0253% (0.21 1.0 0.02 0.02) = 0.025% Peak 882 (2.16, 7.66, 116.50 ppm): 12 chemical-shift based assignments, quality = 0.705, support = 3.11, residual support = 12.9: HB2 ASP- 82 - HN TYR 83 8.333% * 72.5618% (0.73 4.09 17.58) = 72.562% kept HG3 GLN 16 - HN TYR 83 8.333% * 10.7623% (0.94 0.47 0.58) = 10.762% kept HG2 GLN 16 - HN TYR 83 8.333% * 6.6088% (0.57 0.48 0.58) = 6.609% kept HA1 GLY 58 - HN TYR 83 8.333% * 6.4533% (0.27 0.97 0.92) = 6.453% kept HG2 PRO 104 - HN TYR 83 8.333% * 2.2050% (1.00 0.09 0.02) = 2.205% kept HG2 GLN 102 - HN TYR 83 8.333% * 0.3738% (0.76 0.02 0.02) = 0.374% HB3 PRO 104 - HN TYR 83 8.333% * 0.2574% (0.53 0.02 0.02) = 0.257% HB3 LYS+ 78 - HN TYR 83 8.333% * 0.2574% (0.53 0.02 3.00) = 0.257% HB3 GLU- 75 - HN TYR 83 8.333% * 0.2332% (0.48 0.02 0.02) = 0.233% HG3 GLN 102 - HN TYR 83 8.333% * 0.1360% (0.28 0.02 0.02) = 0.136% HB2 ASP- 28 - HN TYR 83 8.333% * 0.0755% (0.15 0.02 0.02) = 0.075% HB VAL 47 - HN TYR 83 8.333% * 0.0755% (0.15 0.02 0.19) = 0.075% Peak 883 (2.64, 7.66, 116.50 ppm): 5 chemical-shift based assignments, quality = 0.98, support = 3.34, residual support = 14.2: * HB3 ASP- 82 - HN TYR 83 20.000% * 79.7266% (0.98 3.95 17.58) = 79.727% kept HA1 GLY 58 - HN TYR 83 20.000% * 19.9646% (1.00 0.97 0.92) = 19.965% kept HE2 LYS+ 20 - HN TYR 83 20.000% * 0.1145% (0.28 0.02 0.02) = 0.114% HB2 ASP- 25 - HN TYR 83 20.000% * 0.1027% (0.25 0.02 0.02) = 0.103% HE2 LYS+ 120 - HN TYR 83 20.000% * 0.0917% (0.22 0.02 0.02) = 0.092% Peak 884 (7.51, 7.66, 116.50 ppm): 2 chemical-shift based assignments, quality = 0.603, support = 4.08, residual support = 17.5: * HN ASP- 82 - HN TYR 83 50.000% * 99.5785% (0.61 4.10 17.58) = 99.578% kept HE3 TRP 51 - HN TYR 83 50.000% * 0.4215% (0.53 0.02 0.02) = 0.422% 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): 18 chemical-shift based assignments, quality = 0.556, support = 1.68, residual support = 1.55: * HG2 GLU- 64 - HN GLU- 64 5.556% * 36.2027% (0.64 2.42 3.09) = 36.203% kept HG2 PRO 86 - HN GLU- 64 5.556% * 18.1675% (0.37 2.10 1.37) = 18.167% kept HB VAL 62 - HN GLU- 64 5.556% * 17.1936% (0.56 1.32 0.02) = 17.194% kept HG3 PRO 86 - HN GLU- 64 5.556% * 13.2464% (0.56 1.01 1.37) = 13.246% kept HG2 PRO 116 - HN GLU- 64 5.556% * 10.4686% (0.80 0.57 0.02) = 10.469% kept HB3 GLU- 10 - HN GLU- 64 5.556% * 0.7157% (0.37 0.08 0.02) = 0.716% HB3 GLU- 45 - HN GLU- 64 5.556% * 0.4577% (0.99 0.02 0.02) = 0.458% HB2 LYS+ 44 - HN GLU- 64 5.556% * 0.4457% (0.96 0.02 0.02) = 0.446% HB3 PRO 31 - HN GLU- 64 5.556% * 0.4457% (0.96 0.02 0.02) = 0.446% HB3 GLU- 107 - HN GLU- 64 5.556% * 0.4263% (0.92 0.02 0.02) = 0.426% HB2 PRO 112 - HN GLU- 64 5.556% * 0.4141% (0.89 0.02 0.02) = 0.414% HB3 PRO 112 - HN GLU- 64 5.556% * 0.3857% (0.83 0.02 0.02) = 0.386% HB3 LYS+ 110 - HN GLU- 64 5.556% * 0.3698% (0.80 0.02 0.02) = 0.370% HB2 GLU- 18 - HN GLU- 64 5.556% * 0.2614% (0.56 0.02 0.02) = 0.261% HB VAL 105 - HN GLU- 64 5.556% * 0.2248% (0.48 0.02 0.02) = 0.225% HB3 GLU- 75 - HN GLU- 64 5.556% * 0.2248% (0.48 0.02 0.02) = 0.225% HB2 HIS+ 14 - HN GLU- 64 5.556% * 0.2070% (0.45 0.02 0.02) = 0.207% HB2 GLU- 45 - HN GLU- 64 5.556% * 0.1425% (0.31 0.02 0.02) = 0.143% Peak 889 (2.30, 7.40, 116.14 ppm): 5 chemical-shift based assignments, quality = 0.862, support = 1.98, residual support = 1.97: * HG3 GLU- 64 - HN GLU- 64 20.000% * 38.2615% (0.94 2.21 3.09) = 38.262% kept HB2 PRO 86 - HN GLU- 64 20.000% * 35.0287% (0.96 1.98 1.37) = 35.029% kept HB3 PRO 86 - HN GLU- 64 20.000% * 22.4924% (0.64 1.90 1.37) = 22.492% kept HA1 GLY 58 - HN GLU- 64 20.000% * 4.1608% (0.51 0.44 0.02) = 4.161% kept HB2 TYR 83 - HN GLU- 64 20.000% * 0.0566% (0.15 0.02 0.02) = 0.057% Peak 890 (7.82, 7.40, 116.14 ppm): 3 chemical-shift based assignments, quality = 0.935, support = 2.5, residual support = 7.29: * T HN LYS+ 63 - HN GLU- 64 33.333% * 99.3734% (0.94 10.00 2.52 7.34) = 99.373% kept HN ALA 93 - HN GLU- 64 33.333% * 0.5545% (0.34 1.00 0.31 0.02) = 0.554% HN LYS+ 55 - HN GLU- 64 33.333% * 0.0722% (0.68 1.00 0.02 0.02) = 0.072% Peak 891 (7.57, 7.40, 116.14 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 2.48, residual support = 11.5: * T HN VAL 65 - HN GLU- 64 25.000% * 99.8175% (1.00 10.00 2.48 11.50) = 99.818% kept HD22 ASN 119 - HN GLU- 64 25.000% * 0.0998% (1.00 1.00 0.02 0.02) = 0.100% HN LYS+ 78 - HN GLU- 64 25.000% * 0.0486% (0.48 1.00 0.02 0.02) = 0.049% HD21 ASN 15 - HN GLU- 64 25.000% * 0.0340% (0.34 1.00 0.02 0.02) = 0.034% Peak 892 (4.25, 7.40, 116.14 ppm): 18 chemical-shift based assignments, quality = 0.564, support = 0.74, residual support = 3.43: HA VAL 65 - HN GLU- 64 5.556% * 27.5920% (0.45 1.34 11.50) = 27.592% kept HA PRO 59 - HN GLU- 64 5.556% * 24.0817% (0.89 0.59 0.36) = 24.082% kept HD3 PRO 59 - HN GLU- 64 5.556% * 15.8864% (0.37 0.92 0.36) = 15.886% kept HA GLU- 56 - HN GLU- 64 5.556% * 11.2496% (0.96 0.25 0.95) = 11.250% kept HA SER 85 - HN GLU- 64 5.556% * 8.2036% (0.37 0.48 0.02) = 8.204% kept HA SER 49 - HN GLU- 64 5.556% * 4.3188% (0.37 0.25 0.02) = 4.319% kept HA HIS+ 8 - HN GLU- 64 5.556% * 2.1402% (0.56 0.08 0.02) = 2.140% kept HA2 GLY 114 - HN GLU- 64 5.556% * 0.9134% (0.99 0.02 0.02) = 0.913% HA HIS+ 4 - HN GLU- 64 5.556% * 0.9074% (0.99 0.02 0.02) = 0.907% HA LYS+ 108 - HN GLU- 64 5.556% * 0.8451% (0.92 0.02 0.02) = 0.845% HA ASN 89 - HN GLU- 64 5.556% * 0.8290% (0.90 0.02 0.02) = 0.829% HA GLU- 75 - HN GLU- 64 5.556% * 0.7330% (0.80 0.02 0.02) = 0.733% HA VAL 73 - HN GLU- 64 5.556% * 0.4757% (0.52 0.02 0.02) = 0.476% HA ARG+ 84 - HN GLU- 64 5.556% * 0.4456% (0.48 0.02 0.02) = 0.446% HA GLU- 54 - HN GLU- 64 5.556% * 0.4104% (0.45 0.02 0.02) = 0.410% HA PRO 52 - HN GLU- 64 5.556% * 0.3436% (0.37 0.02 0.02) = 0.344% HA GLU- 18 - HN GLU- 64 5.556% * 0.3123% (0.34 0.02 0.02) = 0.312% HA ALA 91 - HN GLU- 64 5.556% * 0.3123% (0.34 0.02 0.02) = 0.312% Peak 893 (1.80, 7.40, 116.14 ppm): 15 chemical-shift based assignments, quality = 0.729, support = 1.41, residual support = 3.23: * HB3 LYS+ 63 - HN GLU- 64 6.667% * 41.9125% (0.72 2.33 7.34) = 41.913% kept HB3 LYS+ 117 - HN GLU- 64 6.667% * 18.6240% (0.94 0.80 0.33) = 18.624% kept HB2 LYS+ 117 - HN GLU- 64 6.667% * 17.7105% (0.89 0.80 0.33) = 17.710% kept HD3 LYS+ 117 - HN GLU- 64 6.667% * 10.7202% (0.48 0.89 0.33) = 10.720% kept HB3 PRO 116 - HN GLU- 64 6.667% * 7.8388% (0.52 0.60 0.02) = 7.839% kept HB3 LYS+ 44 - HN GLU- 64 6.667% * 0.4902% (0.99 0.02 0.02) = 0.490% HB3 LYS+ 108 - HN GLU- 64 6.667% * 0.4566% (0.92 0.02 0.02) = 0.457% HB3 LYS+ 113 - HN GLU- 64 6.667% * 0.4436% (0.89 0.02 0.02) = 0.444% HB3 HIS+ 7 - HN GLU- 64 6.667% * 0.4290% (0.86 0.02 0.02) = 0.429% HB2 GLU- 109 - HN GLU- 64 6.667% * 0.3960% (0.80 0.02 0.02) = 0.396% HD3 LYS+ 72 - HN GLU- 64 6.667% * 0.3397% (0.68 0.02 0.02) = 0.340% HG2 PRO 31 - HN GLU- 64 6.667% * 0.2800% (0.56 0.02 0.02) = 0.280% HB VAL 73 - HN GLU- 64 6.667% * 0.1856% (0.37 0.02 0.02) = 0.186% HB3 GLU- 18 - HN GLU- 64 6.667% * 0.0866% (0.17 0.02 0.02) = 0.087% HB3 ARG+ 53 - HN GLU- 64 6.667% * 0.0866% (0.17 0.02 0.02) = 0.087% Peak 894 (0.70, 7.40, 116.14 ppm): 12 chemical-shift based assignments, quality = 0.883, support = 0.877, residual support = 0.277: HG2 PRO 59 - HN GLU- 64 8.333% * 35.3829% (0.99 1.22 0.36) = 35.383% kept QG2 ILE 48 - HN GLU- 64 8.333% * 26.3817% (0.80 1.13 0.53) = 26.382% kept HB2 LEU 9 - HN GLU- 64 8.333% * 11.2637% (0.99 0.39 0.02) = 11.264% kept HG LEU 67 - HN GLU- 64 8.333% * 11.1083% (0.99 0.39 0.02) = 11.108% kept QG2 ILE 101 - HN GLU- 64 8.333% * 10.6458% (0.89 0.41 0.02) = 10.646% kept QG1 VAL 62 - HN GLU- 64 8.333% * 2.2588% (0.13 0.57 0.02) = 2.259% kept QD2 LEU 9 - HN GLU- 64 8.333% * 1.3304% (0.17 0.26 0.02) = 1.330% kept QD1 ILE 68 - HN GLU- 64 8.333% * 0.4182% (0.17 0.08 0.02) = 0.418% QD1 ILE 19 - HN GLU- 64 8.333% * 0.3763% (0.64 0.02 0.02) = 0.376% QG2 VAL 94 - HN GLU- 64 8.333% * 0.3294% (0.56 0.02 0.02) = 0.329% HG12 ILE 19 - HN GLU- 64 8.333% * 0.3061% (0.52 0.02 0.02) = 0.306% QG2 VAL 40 - HN GLU- 64 8.333% * 0.1984% (0.34 0.02 0.02) = 0.198% 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 (0.98) kept Peak 904 (2.63, 7.53, 115.71 ppm): 5 chemical-shift based assignments, quality = 0.969, support = 3.25, residual support = 25.9: * O HB3 ASP- 82 - HN ASP- 82 20.000% * 96.5244% (0.97 10.0 3.34 26.82) = 96.524% kept HA1 GLY 58 - HN ASP- 82 20.000% * 3.3649% (0.99 1.0 0.68 0.02) = 3.365% 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% (0.19 1.0 0.02 0.02) = 0.019% Peak 905 (2.15, 7.53, 115.71 ppm): 12 chemical-shift based assignments, quality = 0.382, support = 2.82, residual support = 21.3: O HB2 ASP- 82 - HN ASP- 82 8.333% * 79.2345% (0.31 10.0 3.37 26.82) = 79.235% kept HB3 LYS+ 78 - HN ASP- 82 8.333% * 11.5470% (0.91 1.0 0.97 0.02) = 11.547% kept HG3 GLN 16 - HN ASP- 82 8.333% * 3.5443% (0.56 1.0 0.49 0.02) = 3.544% kept HA1 GLY 58 - HN ASP- 82 8.333% * 2.2484% (0.25 1.0 0.68 0.02) = 2.248% kept HB VAL 47 - HN ASP- 82 8.333% * 1.8609% (0.48 1.0 0.30 0.02) = 1.861% kept HG2 PRO 104 - HN ASP- 82 8.333% * 0.9287% (0.79 1.0 0.09 0.02) = 0.929% HG3 GLN 102 - HN ASP- 82 8.333% * 0.1763% (0.68 1.0 0.02 0.02) = 0.176% HB3 GLU- 75 - HN ASP- 82 8.333% * 0.1516% (0.58 1.0 0.02 0.02) = 0.152% HB2 ASP- 28 - HN ASP- 82 8.333% * 0.1250% (0.48 1.0 0.02 0.02) = 0.125% HG2 GLN 102 - HN ASP- 82 8.333% * 0.0876% (0.34 1.0 0.02 0.02) = 0.088% HG2 GLN 16 - HN ASP- 82 8.333% * 0.0508% (0.20 1.0 0.02 0.02) = 0.051% HB3 PRO 104 - HN ASP- 82 8.333% * 0.0450% (0.17 1.0 0.02 0.02) = 0.045% Peak 906 (4.19, 7.53, 115.71 ppm): 10 chemical-shift based assignments, quality = 0.726, support = 3.2, residual support = 25.4: * O HA ASP- 82 - HN ASP- 82 10.000% * 94.4966% (0.72 10.0 3.34 26.82) = 94.497% kept HA ASN 89 - HN ASP- 82 10.000% * 5.0238% (0.94 1.0 0.81 0.21) = 5.024% kept HA MET 126 - HN ASP- 82 10.000% * 0.1290% (0.98 1.0 0.02 0.02) = 0.129% HA GLU- 64 - HN ASP- 82 10.000% * 0.1231% (0.94 1.0 0.02 0.02) = 0.123% HA GLU- 109 - HN ASP- 82 10.000% * 0.0583% (0.44 1.0 0.02 0.02) = 0.058% HB3 HIS+ 14 - HN ASP- 82 10.000% * 0.0488% (0.37 1.0 0.02 0.02) = 0.049% HA LYS+ 44 - HN ASP- 82 10.000% * 0.0369% (0.28 1.0 0.02 0.02) = 0.037% HA ALA 11 - HN ASP- 82 10.000% * 0.0362% (0.27 1.0 0.02 0.02) = 0.036% HA VAL 73 - HN ASP- 82 10.000% * 0.0271% (0.21 1.0 0.02 0.02) = 0.027% HA GLU- 12 - HN ASP- 82 10.000% * 0.0201% (0.15 1.0 0.02 0.02) = 0.020% Peak 907 (1.64, 7.53, 115.71 ppm): 10 chemical-shift based assignments, quality = 0.752, support = 0.974, residual support = 1.01: HB2 HIS+ 8 - HN ASP- 82 10.000% * 30.6716% (0.72 1.38 2.65) = 30.672% kept HG3 ARG+ 84 - HN ASP- 82 10.000% * 25.8062% (0.72 1.16 0.48) = 25.806% kept HB3 ARG+ 22 - HN ASP- 82 10.000% * 22.2812% (0.95 0.75 0.17) = 22.281% kept HB3 MET 97 - HN ASP- 82 10.000% * 10.5330% (0.91 0.37 0.02) = 10.533% kept HG LEU 23 - HN ASP- 82 10.000% * 5.7141% (0.52 0.35 0.63) = 5.714% kept HG3 LYS+ 78 - HN ASP- 82 10.000% * 3.9979% (0.20 0.66 0.02) = 3.998% kept HG12 ILE 101 - HN ASP- 82 10.000% * 0.2751% (0.44 0.02 0.02) = 0.275% HB ILE 100 - HN ASP- 82 10.000% * 0.2751% (0.44 0.02 0.02) = 0.275% HB2 LEU 67 - HN ASP- 82 10.000% * 0.2751% (0.44 0.02 0.02) = 0.275% HB3 MET 126 - HN ASP- 82 10.000% * 0.1706% (0.27 0.02 0.02) = 0.171% Peak 908 (8.23, 7.53, 115.71 ppm): 13 chemical-shift based assignments, quality = 0.921, support = 2.22, residual support = 3.95: * T HN LYS+ 81 - HN ASP- 82 7.692% * 98.4497% (0.94 10.00 2.26 4.01) = 98.450% kept T HN THR 106 - HN ASP- 82 7.692% * 0.4279% (0.41 10.00 0.02 0.02) = 0.428% HN GLU- 12 - HN ASP- 82 7.692% * 0.3575% (0.86 1.00 0.08 0.02) = 0.357% HN ALA 11 - HN ASP- 82 7.692% * 0.1643% (0.37 1.00 0.08 0.02) = 0.164% HN GLY 58 - HN ASP- 82 7.692% * 0.1032% (0.98 1.00 0.02 0.02) = 0.103% HN SER 49 - HN ASP- 82 7.692% * 0.1032% (0.98 1.00 0.02 0.02) = 0.103% HN MET 118 - HN ASP- 82 7.692% * 0.1004% (0.95 1.00 0.02 0.02) = 0.100% HN LEU 67 - HN ASP- 82 7.692% * 0.0984% (0.94 1.00 0.02 0.02) = 0.098% HN VAL 94 - HN ASP- 82 7.692% * 0.0589% (0.56 1.00 0.02 0.02) = 0.059% HN VAL 105 - HN ASP- 82 7.692% * 0.0548% (0.52 1.00 0.02 0.02) = 0.055% HN ASP- 115 - HN ASP- 82 7.692% * 0.0355% (0.34 1.00 0.02 0.02) = 0.036% HN GLU- 45 - HN ASP- 82 7.692% * 0.0321% (0.31 1.00 0.02 0.02) = 0.032% HN GLN 16 - HN ASP- 82 7.692% * 0.0141% (0.13 1.00 0.02 0.02) = 0.014% Peak 909 (9.03, 7.53, 115.71 ppm): 2 chemical-shift based assignments, quality = 0.981, support = 0.02, residual support = 0.986: T HN THR 79 - HN ASP- 82 50.000% * 90.8354% (0.98 10.00 0.02 1.08) = 90.835% kept HN GLY 30 - HN ASP- 82 50.000% * 9.1646% (0.99 1.00 0.02 0.02) = 9.165% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 910 (7.69, 7.53, 115.71 ppm): 2 chemical-shift based assignments, quality = 0.37, support = 4.05, residual support = 17.3: * T HN TYR 83 - HN ASP- 82 50.000% * 98.6285% (0.37 10.00 4.10 17.58) = 98.628% kept HN VAL 13 - HN ASP- 82 50.000% * 1.3715% (0.27 1.00 0.38 0.02) = 1.372% kept Peak 911 (8.11, 8.11, 115.32 ppm): 1 diagonal assignment: * HN HIS+ 3 - HN HIS+ 3 (1.00) kept Peak 912 (4.34, 8.11, 115.32 ppm): 13 chemical-shift based assignments, quality = 0.863, support = 0.972, residual support = 1.03: * O HA HIS+ 3 - HN HIS+ 3 7.692% * 93.6967% (0.90 10.0 1.00 0.93) = 93.697% kept HB3 HIS+ 4 - HN HIS+ 3 7.692% * 3.3443% (0.34 1.0 0.94 4.74) = 3.344% kept HA MET 1 - HN HIS+ 3 7.692% * 1.7021% (0.69 1.0 0.24 0.02) = 1.702% kept HA VAL 73 - HN HIS+ 3 7.692% * 0.2035% (0.97 1.0 0.02 0.02) = 0.204% HB THR 61 - HN HIS+ 3 7.692% * 0.2017% (0.97 1.0 0.02 0.02) = 0.202% HA VAL 94 - HN HIS+ 3 7.692% * 0.1929% (0.92 1.0 0.02 0.02) = 0.193% HA ASN 89 - HN HIS+ 3 7.692% * 0.1687% (0.81 1.0 0.02 0.02) = 0.169% HA1 GLY 26 - HN HIS+ 3 7.692% * 0.1673% (0.80 1.0 0.02 0.02) = 0.167% HA LYS+ 117 - HN HIS+ 3 7.692% * 0.1183% (0.57 1.0 0.02 0.02) = 0.118% HA2 GLY 26 - HN HIS+ 3 7.692% * 0.0937% (0.45 1.0 0.02 0.02) = 0.094% HA PRO 112 - HN HIS+ 3 7.692% * 0.0414% (0.20 1.0 0.02 0.02) = 0.041% HA THR 38 - HN HIS+ 3 7.692% * 0.0414% (0.20 1.0 0.02 0.02) = 0.041% HA LYS+ 60 - HN HIS+ 3 7.692% * 0.0283% (0.14 1.0 0.02 0.02) = 0.028% Peak 913 (9.02, 9.03, 115.09 ppm): 1 diagonal assignment: * HN GLY 30 - HN GLY 30 (0.89) kept Peak 914 (4.30, 9.03, 115.09 ppm): 13 chemical-shift based assignments, quality = 0.637, support = 2.82, residual support = 10.6: O HA ILE 29 - HN GLY 30 7.692% * 99.0200% (0.64 10.0 2.85 10.68) = 99.020% kept HA PRO 104 - HN GLY 30 7.692% * 0.1413% (0.92 1.0 0.02 0.02) = 0.141% HA LEU 90 - HN GLY 30 7.692% * 0.1413% (0.92 1.0 0.02 0.02) = 0.141% HA ASN 89 - HN GLY 30 7.692% * 0.1319% (0.86 1.0 0.02 0.02) = 0.132% HA THR 106 - HN GLY 30 7.692% * 0.1226% (0.80 1.0 0.02 0.02) = 0.123% HA VAL 73 - HN GLY 30 7.692% * 0.1193% (0.78 1.0 0.02 0.10) = 0.119% HA PRO 112 - HN GLY 30 7.692% * 0.0574% (0.37 1.0 0.02 0.02) = 0.057% HA ALA 91 - HN GLY 30 7.692% * 0.0522% (0.34 1.0 0.02 0.02) = 0.052% HD3 PRO 59 - HN GLY 30 7.692% * 0.0472% (0.31 1.0 0.02 0.02) = 0.047% HA PRO 52 - HN GLY 30 7.692% * 0.0472% (0.31 1.0 0.02 0.02) = 0.047% HA SER 85 - HN GLY 30 7.692% * 0.0472% (0.31 1.0 0.02 0.02) = 0.047% HA VAL 65 - HN GLY 30 7.692% * 0.0382% (0.25 1.0 0.02 0.02) = 0.038% HA ARG+ 84 - HN GLY 30 7.692% * 0.0341% (0.22 1.0 0.02 0.02) = 0.034% Peak 915 (3.47, 9.03, 115.09 ppm): 7 chemical-shift based assignments, quality = 0.538, support = 2.75, residual support = 7.64: O HA1 GLY 30 - HN GLY 30 14.286% * 60.4061% (0.25 10.0 2.48 6.97) = 60.406% kept * HD3 PRO 31 - HN GLY 30 14.286% * 38.9670% (1.00 1.0 3.22 8.81) = 38.967% kept HA1 GLY 71 - HN GLY 30 14.286% * 0.2417% (0.99 1.0 0.02 0.02) = 0.242% HA VAL 80 - HN GLY 30 14.286% * 0.1664% (0.68 1.0 0.02 0.02) = 0.166% HA ASN 89 - HN GLY 30 14.286% * 0.0989% (0.41 1.0 0.02 0.02) = 0.099% HA ILE 48 - HN GLY 30 14.286% * 0.0659% (0.27 1.0 0.02 0.15) = 0.066% HA VAL 62 - HN GLY 30 14.286% * 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 = 0.965, support = 3.71, residual support = 10.5: * HG12 ILE 29 - HN GLY 30 10.000% * 50.4238% (1.00 3.86 10.68) = 50.424% kept QG2 ILE 29 - HN GLY 30 10.000% * 47.4498% (0.98 3.71 10.68) = 47.450% kept HG LEU 74 - HN GLY 30 10.000% * 0.7541% (0.68 0.08 0.02) = 0.754% QG2 VAL 62 - HN GLY 30 10.000% * 0.2606% (0.99 0.02 0.02) = 0.261% HG12 ILE 68 - HN GLY 30 10.000% * 0.2560% (0.98 0.02 0.72) = 0.256% HG3 LYS+ 63 - HN GLY 30 10.000% * 0.2411% (0.92 0.02 0.02) = 0.241% QG1 VAL 105 - HN GLY 30 10.000% * 0.2266% (0.86 0.02 0.02) = 0.227% QD1 LEU 17 - HN GLY 30 10.000% * 0.2182% (0.83 0.02 0.02) = 0.218% QG2 VAL 99 - HN GLY 30 10.000% * 0.0891% (0.34 0.02 0.02) = 0.089% QG2 VAL 73 - HN GLY 30 10.000% * 0.0806% (0.31 0.02 0.10) = 0.081% Peak 917 (4.71, 9.03, 115.09 ppm): 7 chemical-shift based assignments, quality = 0.908, support = 2.48, residual support = 7.19: O HA2 GLY 30 - HN GLY 30 14.286% * 87.5148% (0.94 10.0 2.29 6.97) = 87.515% kept * HA PRO 31 - HN GLY 30 14.286% * 12.3575% (0.68 1.0 3.89 8.81) = 12.358% kept HA GLN 16 - HN GLY 30 14.286% * 0.0316% (0.34 1.0 0.02 0.02) = 0.032% HA ASN 89 - HN GLY 30 14.286% * 0.0308% (0.33 1.0 0.02 0.02) = 0.031% HA THR 61 - HN GLY 30 14.286% * 0.0286% (0.31 1.0 0.02 0.02) = 0.029% HA ASN 119 - HN GLY 30 14.286% * 0.0206% (0.22 1.0 0.02 0.02) = 0.021% HA HIS+ 7 - HN GLY 30 14.286% * 0.0162% (0.17 1.0 0.02 0.02) = 0.016% Peak 919 (8.81, 9.03, 115.09 ppm): 5 chemical-shift based assignments, quality = 0.711, support = 0.877, residual support = 2.36: HN LYS+ 32 - HN GLY 30 20.000% * 94.7499% (0.72 0.93 2.49) = 94.750% kept HN ASN 57 - HN GLY 30 20.000% * 2.3564% (0.83 0.02 0.02) = 2.356% kept HN LYS+ 60 - HN GLY 30 20.000% * 1.3732% (0.48 0.02 0.02) = 1.373% kept HN SER 69 - HN GLY 30 20.000% * 0.9623% (0.34 0.02 0.02) = 0.962% HN THR 95 - HN GLY 30 20.000% * 0.5583% (0.20 0.02 0.02) = 0.558% Peak 921 (4.06, 8.23, 114.86 ppm): 6 chemical-shift based assignments, quality = 0.978, support = 4.8, residual support = 15.6: * O HB2 SER 49 - HN SER 49 16.667% * 92.9107% (0.99 10.0 5.08 16.73) = 92.911% kept HA ASN 89 - HN SER 49 16.667% * 6.1756% (0.99 1.0 1.32 1.39) = 6.176% kept HA LYS+ 44 - HN SER 49 16.667% * 0.7715% (0.84 1.0 0.20 0.02) = 0.771% HA LYS+ 63 - HN SER 49 16.667% * 0.0606% (0.64 1.0 0.02 0.02) = 0.061% HB3 SER 85 - HN SER 49 16.667% * 0.0493% (0.52 1.0 0.02 0.02) = 0.049% HB3 SER 77 - HN SER 49 16.667% * 0.0322% (0.34 1.0 0.02 0.02) = 0.032% Peak 922 (8.23, 8.23, 114.86 ppm): 1 diagonal assignment: * HN SER 49 - HN SER 49 (0.92) kept Peak 923 (1.72, 8.23, 114.86 ppm): 3 chemical-shift based assignments, quality = 0.934, support = 5.3, residual support = 31.4: * HB ILE 48 - HN SER 49 33.333% * 78.2867% (1.00 6.13 39.04) = 78.287% kept HB3 GLU- 50 - HN SER 49 33.333% * 21.4717% (0.72 2.32 3.78) = 21.472% kept HB2 GLN 16 - HN SER 49 33.333% * 0.2416% (0.94 0.02 0.02) = 0.242% Peak 924 (4.22, 8.23, 114.86 ppm): 18 chemical-shift based assignments, quality = 0.877, support = 3.57, residual support = 16.1: * O HB3 SER 49 - HN SER 49 5.556% * 55.6027% (1.00 10.0 3.29 16.73) = 55.603% kept O HA SER 49 - HN SER 49 5.556% * 40.3759% (0.72 10.0 4.20 16.73) = 40.376% kept HA ASN 89 - HN SER 49 5.556% * 3.4204% (0.93 1.0 1.32 1.39) = 3.420% kept HA LYS+ 44 - HN SER 49 5.556% * 0.1038% (0.19 1.0 0.20 0.02) = 0.104% HA LYS+ 110 - HN SER 49 5.556% * 0.0555% (0.99 1.0 0.02 0.02) = 0.055% HA GLU- 12 - HN SER 49 5.556% * 0.0555% (0.99 1.0 0.02 0.02) = 0.055% HA ALA 42 - HN SER 49 5.556% * 0.0551% (0.99 1.0 0.02 0.02) = 0.055% HA ALA 11 - HN SER 49 5.556% * 0.0513% (0.92 1.0 0.02 0.02) = 0.051% HB3 HIS+ 14 - HN SER 49 5.556% * 0.0464% (0.83 1.0 0.02 0.02) = 0.046% HA GLU- 18 - HN SER 49 5.556% * 0.0425% (0.76 1.0 0.02 0.02) = 0.042% HA GLU- 109 - HN SER 49 5.556% * 0.0425% (0.76 1.0 0.02 0.02) = 0.042% HA GLU- 54 - HN SER 49 5.556% * 0.0360% (0.64 1.0 0.02 0.02) = 0.036% HA HIS+ 8 - HN SER 49 5.556% * 0.0293% (0.52 1.0 0.02 0.02) = 0.029% HA ASP- 82 - HN SER 49 5.556% * 0.0271% (0.48 1.0 0.02 0.02) = 0.027% HA VAL 73 - HN SER 49 5.556% * 0.0188% (0.34 1.0 0.02 0.02) = 0.019% HA GLU- 64 - HN SER 49 5.556% * 0.0139% (0.25 1.0 0.02 0.02) = 0.014% HA PRO 59 - HN SER 49 5.556% * 0.0124% (0.22 1.0 0.02 0.02) = 0.012% HA LYS+ 108 - HN SER 49 5.556% * 0.0110% (0.20 1.0 0.02 0.02) = 0.011% Peak 925 (0.71, 8.23, 114.86 ppm): 14 chemical-shift based assignments, quality = 0.943, support = 5.87, residual support = 35.2: * QG2 ILE 48 - HN SER 49 7.143% * 90.2619% (0.99 6.42 39.04) = 90.262% kept QG2 ILE 101 - HN SER 49 7.143% * 4.8115% (0.99 0.34 0.02) = 4.811% kept HG LEU 74 - HN SER 49 7.143% * 3.4477% (0.14 1.73 0.02) = 3.448% kept HB2 LEU 9 - HN SER 49 7.143% * 0.2370% (0.83 0.02 0.02) = 0.237% HG2 PRO 59 - HN SER 49 7.143% * 0.2370% (0.83 0.02 0.02) = 0.237% HG LEU 67 - HN SER 49 7.143% * 0.2272% (0.80 0.02 0.02) = 0.227% QG2 VAL 40 - HN SER 49 7.143% * 0.1835% (0.64 0.02 0.02) = 0.184% QD1 ILE 68 - HN SER 49 7.143% * 0.1166% (0.41 0.02 0.02) = 0.117% QD2 LEU 9 - HN SER 49 7.143% * 0.1166% (0.41 0.02 0.02) = 0.117% QD1 ILE 19 - HN SER 49 7.143% * 0.0968% (0.34 0.02 0.02) = 0.097% QG2 VAL 94 - HN SER 49 7.143% * 0.0789% (0.28 0.02 0.02) = 0.079% HG12 ILE 19 - HN SER 49 7.143% * 0.0707% (0.25 0.02 0.02) = 0.071% QD1 LEU 9 - HN SER 49 7.143% * 0.0707% (0.25 0.02 0.02) = 0.071% HG3 LYS+ 66 - HN SER 49 7.143% * 0.0438% (0.15 0.02 0.02) = 0.044% Peak 926 (7.29, 8.23, 114.86 ppm): 4 chemical-shift based assignments, quality = 0.867, support = 4.84, residual support = 32.8: * HN ILE 48 - HN SER 49 25.000% * 83.8654% (0.99 5.42 39.04) = 83.865% kept HN VAL 47 - HN SER 49 25.000% * 9.3585% (0.25 2.41 0.19) = 9.358% kept HN ARG+ 84 - HN SER 49 25.000% * 3.9135% (0.28 0.90 0.02) = 3.914% kept QD PHE 34 - HN SER 49 25.000% * 2.8627% (0.20 0.93 0.02) = 2.863% kept Peak 927 (3.96, 8.23, 114.86 ppm): 8 chemical-shift based assignments, quality = 0.425, support = 4.32, residual support = 25.3: * O HA ILE 48 - HN SER 49 12.500% * 63.6992% (0.13 10.0 6.14 39.04) = 63.699% kept HA ASN 89 - HN SER 49 12.500% * 30.3104% (0.97 1.0 1.32 1.39) = 30.310% kept HA LYS+ 44 - HN SER 49 12.500% * 4.5408% (0.98 1.0 0.20 0.02) = 4.541% kept HA ALA 93 - HN SER 49 12.500% * 0.4665% (0.99 1.0 0.02 0.02) = 0.467% HB3 SER 77 - HN SER 49 12.500% * 0.4549% (0.96 1.0 0.02 0.02) = 0.455% HA1 GLY 114 - HN SER 49 12.500% * 0.2665% (0.56 1.0 0.02 0.02) = 0.266% HB THR 95 - HN SER 49 12.500% * 0.1309% (0.28 1.0 0.02 0.02) = 0.131% HA1 GLY 92 - HN SER 49 12.500% * 0.1309% (0.28 1.0 0.02 0.02) = 0.131% Peak 928 (0.37, 8.23, 114.86 ppm): 3 chemical-shift based assignments, quality = 0.751, support = 5.55, residual support = 39.0: * HG13 ILE 48 - HN SER 49 33.333% * 74.0692% (0.96 5.42 39.04) = 74.069% kept QD1 ILE 48 - HN SER 49 33.333% * 13.0436% (0.15 5.97 39.04) = 13.044% kept HG12 ILE 48 - HN SER 49 33.333% * 12.8873% (0.15 5.90 39.04) = 12.887% 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): 9 chemical-shift based assignments, quality = 0.991, support = 2.39, residual support = 2.14: * O HB3 SER 41 - HN SER 41 11.111% * 97.4591% (1.00 10.0 2.44 2.20) = 97.459% kept HA ASN 89 - HN SER 41 11.111% * 2.0888% (0.85 1.0 0.50 0.02) = 2.089% kept HA GLU- 45 - HN SER 41 11.111% * 0.0972% (1.00 1.0 0.02 0.02) = 0.097% HD3 PRO 112 - HN SER 41 11.111% * 0.0922% (0.94 1.0 0.02 0.02) = 0.092% HD3 PRO 116 - HN SER 41 11.111% * 0.0708% (0.73 1.0 0.02 0.02) = 0.071% HA ILE 48 - HN SER 41 11.111% * 0.0660% (0.68 1.0 0.02 0.02) = 0.066% HA2 GLY 92 - HN SER 41 11.111% * 0.0513% (0.53 1.0 0.02 0.02) = 0.051% HA LYS+ 44 - HN SER 41 11.111% * 0.0381% (0.39 1.0 0.02 0.02) = 0.038% HA VAL 13 - HN SER 41 11.111% * 0.0366% (0.37 1.0 0.02 0.02) = 0.037% Peak 931 (4.78, 8.16, 114.88 ppm): 8 chemical-shift based assignments, quality = 0.303, support = 2.94, residual support = 16.9: * O HA VAL 40 - HN SER 41 12.500% * 96.6534% (0.31 10.0 3.03 17.47) = 96.653% kept HA ASN 89 - HN SER 41 12.500% * 2.0673% (0.26 1.0 0.50 0.02) = 2.067% kept HA ASP- 115 - HN SER 41 12.500% * 0.3104% (0.99 1.0 0.02 0.02) = 0.310% HA ASN 15 - HN SER 41 12.500% * 0.2962% (0.94 1.0 0.02 0.02) = 0.296% HA PRO 116 - HN SER 41 12.500% * 0.2891% (0.92 1.0 0.02 0.02) = 0.289% HA LYS+ 113 - HN SER 41 12.500% * 0.2274% (0.73 1.0 0.02 0.02) = 0.227% HA MET 118 - HN SER 41 12.500% * 0.0781% (0.25 1.0 0.02 0.02) = 0.078% HA HIS+ 5 - HN SER 41 12.500% * 0.0781% (0.25 1.0 0.02 0.02) = 0.078% Peak 932 (7.72, 8.16, 114.88 ppm): 2 chemical-shift based assignments, quality = 0.895, support = 1.67, residual support = 4.76: * T HN ALA 42 - HN SER 41 50.000% * 99.9138% (0.90 10.00 1.67 4.76) = 99.914% kept HN VAL 13 - HN SER 41 50.000% * 0.0862% (0.65 1.00 0.02 0.02) = 0.086% Peak 933 (8.70, 8.16, 114.88 ppm): 1 chemical-shift based assignment, quality = 0.763, support = 3.34, residual support = 17.5: * T HN VAL 40 - HN SER 41 100.000% *100.0000% (0.76 10.00 3.34 17.47) = 100.000% kept Peak 934 (4.23, 8.16, 114.88 ppm): 20 chemical-shift based assignments, quality = 0.806, support = 0.814, residual support = 1.66: HA ALA 42 - HN SER 41 5.000% * 34.6895% (0.76 1.31 4.76) = 34.689% kept HA HIS+ 8 - HN SER 41 5.000% * 28.3616% (0.96 0.85 0.02) = 28.362% kept HA ASN 89 - HN SER 41 5.000% * 16.0922% (0.92 0.50 0.02) = 16.092% kept HA GLU- 18 - HN SER 41 5.000% * 8.6081% (0.99 0.25 0.02) = 8.608% kept HA HIS+ 4 - HN SER 41 5.000% * 5.2712% (0.49 0.31 0.02) = 5.271% kept HA ALA 11 - HN SER 41 5.000% * 1.8632% (0.45 0.12 0.02) = 1.863% kept HA GLU- 54 - HN SER 41 5.000% * 0.6933% (1.00 0.02 0.02) = 0.693% HA SER 49 - HN SER 41 5.000% * 0.6933% (1.00 0.02 0.02) = 0.693% HA LYS+ 110 - HN SER 41 5.000% * 0.5045% (0.73 0.02 0.02) = 0.505% HA PRO 59 - HN SER 41 5.000% * 0.4773% (0.69 0.02 0.02) = 0.477% HB3 SER 49 - HN SER 41 5.000% * 0.4773% (0.69 0.02 0.02) = 0.477% HA LYS+ 108 - HN SER 41 5.000% * 0.4495% (0.65 0.02 0.02) = 0.449% HA GLU- 12 - HN SER 41 5.000% * 0.4495% (0.65 0.02 0.02) = 0.449% HA VAL 73 - HN SER 41 5.000% * 0.2819% (0.41 0.02 0.02) = 0.282% HA2 GLY 114 - HN SER 41 5.000% * 0.2608% (0.37 0.02 0.02) = 0.261% HB3 HIS+ 14 - HN SER 41 5.000% * 0.2370% (0.34 0.02 0.02) = 0.237% HA GLU- 109 - HN SER 41 5.000% * 0.1932% (0.28 0.02 0.02) = 0.193% HA GLU- 56 - HN SER 41 5.000% * 0.1932% (0.28 0.02 0.02) = 0.193% HA LYS+ 44 - HN SER 41 5.000% * 0.1095% (0.16 0.02 0.02) = 0.110% HA GLU- 75 - HN SER 41 5.000% * 0.0940% (0.14 0.02 0.02) = 0.094% Peak 935 (2.48, 8.16, 114.88 ppm): 4 chemical-shift based assignments, quality = 0.932, support = 3.47, residual support = 17.2: * HB VAL 40 - HN SER 41 25.000% * 98.6567% (0.94 3.52 17.47) = 98.657% kept HA1 GLY 58 - HN SER 41 25.000% * 0.5086% (0.86 0.02 0.02) = 0.509% HG3 PRO 35 - HN SER 41 25.000% * 0.4750% (0.80 0.02 0.02) = 0.475% HB3 LYS+ 81 - HN SER 41 25.000% * 0.3598% (0.61 0.02 0.02) = 0.360% Peak 936 (0.74, 8.16, 114.88 ppm): 9 chemical-shift based assignments, quality = 0.864, support = 2.62, residual support = 8.18: * QG2 VAL 40 - HN SER 41 11.111% * 39.4219% (0.73 3.50 17.47) = 39.422% kept QD1 LEU 9 - HN SER 41 11.111% * 36.6933% (1.00 2.37 2.16) = 36.693% kept QD2 LEU 9 - HN SER 41 11.111% * 22.9960% (0.92 1.61 2.16) = 22.996% kept HG3 LYS+ 66 - HN SER 41 11.111% * 0.3040% (0.98 0.02 0.02) = 0.304% QD1 ILE 68 - HN SER 41 11.111% * 0.2863% (0.92 0.02 0.02) = 0.286% HG3 LYS+ 44 - HN SER 41 11.111% * 0.0957% (0.31 0.02 0.02) = 0.096% QG2 ILE 48 - HN SER 41 11.111% * 0.0862% (0.28 0.02 0.02) = 0.086% QG2 ILE 101 - HN SER 41 11.111% * 0.0614% (0.20 0.02 0.02) = 0.061% HG LEU 74 - HN SER 41 11.111% * 0.0552% (0.18 0.02 0.02) = 0.055% Peak 937 (1.37, 8.16, 114.88 ppm): 11 chemical-shift based assignments, quality = 0.695, support = 0.643, residual support = 0.302: QG2 THR 39 - HN SER 41 9.091% * 35.7168% (0.65 1.05 0.81) = 35.717% kept HB3 LYS+ 20 - HN SER 41 9.091% * 28.2852% (0.87 0.62 0.02) = 28.285% kept HG13 ILE 19 - HN SER 41 9.091% * 12.1355% (0.83 0.28 0.02) = 12.136% kept HG3 LYS+ 20 - HN SER 41 9.091% * 9.2306% (0.57 0.31 0.02) = 9.231% kept HB2 LYS+ 20 - HN SER 41 9.091% * 9.2306% (0.57 0.31 0.02) = 9.231% kept QB ALA 11 - HN SER 41 9.091% * 1.6925% (0.17 0.18 0.02) = 1.693% kept QB ALA 91 - HN SER 41 9.091% * 1.0330% (0.98 0.02 0.02) = 1.033% kept HG3 ARG+ 22 - HN SER 41 9.091% * 0.9141% (0.87 0.02 0.02) = 0.914% HG2 LYS+ 78 - HN SER 41 9.091% * 0.8802% (0.83 0.02 0.02) = 0.880% HG LEU 74 - HN SER 41 9.091% * 0.5561% (0.53 0.02 0.02) = 0.556% HB2 LEU 17 - HN SER 41 9.091% * 0.3253% (0.31 0.02 0.02) = 0.325% 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): 14 chemical-shift based assignments, quality = 0.972, support = 1.9, residual support = 5.42: * O HA ASN 57 - HN ASN 57 7.143% * 96.9241% (0.98 10.0 1.95 5.59) = 96.924% kept HA VAL 73 - HN ASN 57 7.143% * 2.2731% (0.98 1.0 0.46 0.02) = 2.273% kept HA ALA 37 - HN ASN 57 7.143% * 0.0992% (0.98 1.0 0.02 0.02) = 0.099% HA LYS+ 60 - HN ASN 57 7.143% * 0.0974% (0.96 1.0 0.02 0.02) = 0.097% HA THR 38 - HN ASN 57 7.143% * 0.0918% (0.90 1.0 0.02 0.02) = 0.092% HA TRP 51 - HN ASN 57 7.143% * 0.0918% (0.90 1.0 0.02 0.02) = 0.092% HA ASN 89 - HN ASN 57 7.143% * 0.0762% (0.75 1.0 0.02 0.02) = 0.076% HB3 HIS+ 4 - HN ASN 57 7.143% * 0.0760% (0.75 1.0 0.02 0.02) = 0.076% HA2 GLY 26 - HN ASN 57 7.143% * 0.0643% (0.63 1.0 0.02 0.02) = 0.064% HA SER 88 - HN ASN 57 7.143% * 0.0603% (0.59 1.0 0.02 0.02) = 0.060% HA LYS+ 117 - HN ASN 57 7.143% * 0.0523% (0.52 1.0 0.02 0.02) = 0.052% HA MET 1 - HN ASN 57 7.143% * 0.0409% (0.40 1.0 0.02 0.02) = 0.041% HA1 GLY 26 - HN ASN 57 7.143% * 0.0307% (0.30 1.0 0.02 0.02) = 0.031% HA HIS+ 3 - HN ASN 57 7.143% * 0.0221% (0.22 1.0 0.02 0.02) = 0.022% Peak 941 (2.11, 8.82, 115.02 ppm): 13 chemical-shift based assignments, quality = 0.853, support = 1.85, residual support = 3.41: * HG3 GLU- 56 - HN ASN 57 7.692% * 55.7500% (0.99 2.47 3.74) = 55.750% kept HB3 GLU- 75 - HN ASN 57 7.692% * 20.5996% (0.95 0.95 0.27) = 20.600% kept HB VAL 87 - HN ASN 57 7.692% * 11.3664% (0.64 0.78 0.02) = 11.366% kept HA1 GLY 58 - HN ASN 57 7.692% * 9.3625% (0.20 2.06 13.52) = 9.363% kept HB VAL 65 - HN ASN 57 7.692% * 1.6001% (0.68 0.10 0.02) = 1.600% kept HB3 LEU 43 - HN ASN 57 7.692% * 0.4488% (0.99 0.02 0.02) = 0.449% HB VAL 125 - HN ASN 57 7.692% * 0.1699% (0.37 0.02 0.02) = 0.170% HB2 LEU 43 - HN ASN 57 7.692% * 0.1544% (0.34 0.02 0.02) = 0.154% HB2 ASP- 28 - HN ASN 57 7.692% * 0.1259% (0.28 0.02 0.02) = 0.126% HB VAL 47 - HN ASN 57 7.692% * 0.1259% (0.28 0.02 0.02) = 0.126% HB2 LYS+ 110 - HN ASN 57 7.692% * 0.1259% (0.28 0.02 0.02) = 0.126% HD3 LYS+ 110 - HN ASN 57 7.692% * 0.1008% (0.22 0.02 0.02) = 0.101% HG3 GLN 102 - HN ASN 57 7.692% * 0.0699% (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 = 12.1: HA1 GLY 58 - HN ASN 57 50.000% * 88.9756% (0.73 2.06 13.52) = 88.976% kept HB2 HIS+ 98 - HN ASN 57 50.000% * 11.0244% (0.60 0.31 0.64) = 11.024% kept Peak 943 (8.23, 8.82, 115.02 ppm): 13 chemical-shift based assignments, quality = 0.872, support = 2.56, residual support = 12.8: * T HN GLY 58 - HN ASN 57 7.692% * 94.4056% (0.89 10.00 2.66 13.52) = 94.406% kept HN GLU- 45 - HN ASN 57 7.692% * 3.1037% (0.48 1.00 1.21 0.02) = 3.104% kept HN VAL 94 - HN ASN 57 7.692% * 1.8594% (0.76 1.00 0.46 0.02) = 1.859% kept HN SER 49 - HN ASN 57 7.692% * 0.1032% (0.98 1.00 0.02 0.02) = 0.103% HN MET 118 - HN ASN 57 7.692% * 0.0879% (0.83 1.00 0.02 0.02) = 0.088% HN LYS+ 81 - HN ASN 57 7.692% * 0.0843% (0.80 1.00 0.02 0.02) = 0.084% HN LEU 67 - HN ASN 57 7.692% * 0.0843% (0.80 1.00 0.02 0.02) = 0.084% HN VAL 105 - HN ASN 57 7.692% * 0.0764% (0.72 1.00 0.02 0.02) = 0.076% HN GLU- 12 - HN ASN 57 7.692% * 0.0723% (0.68 1.00 0.02 0.02) = 0.072% HN ALA 11 - HN ASN 57 7.692% * 0.0596% (0.56 1.00 0.02 0.02) = 0.060% HN THR 106 - HN ASN 57 7.692% * 0.0262% (0.25 1.00 0.02 0.02) = 0.026% HN ASP- 115 - HN ASN 57 7.692% * 0.0208% (0.20 1.00 0.02 0.02) = 0.021% HN LYS+ 117 - HN ASN 57 7.692% * 0.0162% (0.15 1.00 0.02 0.02) = 0.016% Peak 945 (1.96, 8.82, 115.02 ppm): 11 chemical-shift based assignments, quality = 0.784, support = 0.607, residual support = 0.149: HB3 LYS+ 55 - HN ASN 57 9.091% * 46.3456% (0.80 0.87 0.17) = 46.346% kept HB2 GLU- 75 - HN ASN 57 9.091% * 23.6971% (0.60 0.59 0.27) = 23.697% kept HG3 PRO 116 - HN ASN 57 9.091% * 19.7148% (0.99 0.30 0.02) = 19.715% kept HG3 PRO 31 - HN ASN 57 9.091% * 4.4331% (0.83 0.08 0.02) = 4.433% kept HB VAL 13 - HN ASN 57 9.091% * 1.3276% (1.00 0.02 0.02) = 1.328% kept HB VAL 122 - HN ASN 57 9.091% * 1.3159% (0.99 0.02 0.02) = 1.316% kept HB3 GLU- 109 - HN ASN 57 9.091% * 1.3014% (0.98 0.02 0.02) = 1.301% kept HG3 PRO 104 - HN ASN 57 9.091% * 0.7516% (0.56 0.02 0.02) = 0.752% HG2 PRO 112 - HN ASN 57 9.091% * 0.4983% (0.37 0.02 0.02) = 0.498% HB2 PRO 116 - HN ASN 57 9.091% * 0.4098% (0.31 0.02 0.02) = 0.410% HB2 LYS+ 108 - HN ASN 57 9.091% * 0.2048% (0.15 0.02 0.02) = 0.205% Peak 946 (2.32, 8.82, 115.02 ppm): 7 chemical-shift based assignments, quality = 0.598, support = 1.4, residual support = 7.95: HA1 GLY 58 - HN ASN 57 14.286% * 58.5481% (0.55 2.06 13.52) = 58.548% kept HG3 GLU- 64 - HN ASN 57 14.286% * 21.5601% (0.64 0.64 0.12) = 21.560% kept HB3 PRO 86 - HN ASN 57 14.286% * 12.9787% (0.94 0.26 0.02) = 12.979% kept HB2 PRO 86 - HN ASN 57 14.286% * 5.5475% (0.31 0.35 0.02) = 5.548% kept HB2 TYR 83 - HN ASN 57 14.286% * 0.8303% (0.80 0.02 0.02) = 0.830% HB2 HIS+ 3 - HN ASN 57 14.286% * 0.3537% (0.34 0.02 0.02) = 0.354% HG3 GLU- 50 - HN ASN 57 14.286% * 0.1816% (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 = 5.28, residual support = 110.8: * HG13 ILE 48 - HN ILE 48 16.667% * 57.5208% (0.98 5.15 110.84) = 57.521% kept QD1 ILE 48 - HN ILE 48 16.667% * 21.5868% (0.34 5.56 110.84) = 21.587% kept HG12 ILE 48 - HN ILE 48 16.667% * 20.8486% (0.34 5.37 110.84) = 20.849% kept HG13 ILE 48 - HZ2 TRP 51 16.667% * 0.0258% (0.11 0.02 1.20) = 0.026% QD1 ILE 48 - HZ2 TRP 51 16.667% * 0.0090% (0.04 0.02 1.20) = 0.009% HG12 ILE 48 - HZ2 TRP 51 16.667% * 0.0090% (0.04 0.02 1.20) = 0.009% Peak 949 (1.72, 7.30, 114.60 ppm): 6 chemical-shift based assignments, quality = 0.991, support = 5.68, residual support = 108.5: * O HB ILE 48 - HN ILE 48 16.667% * 97.8551% (1.00 10.0 5.79 110.84) = 97.855% kept HB3 GLU- 50 - HN ILE 48 16.667% * 2.0239% (0.76 1.0 0.54 0.33) = 2.024% kept HB2 GLN 16 - HN ILE 48 16.667% * 0.0905% (0.92 1.0 0.02 0.02) = 0.091% HB ILE 48 - HZ2 TRP 51 16.667% * 0.0113% (0.12 1.0 0.02 1.20) = 0.011% HB2 GLN 16 - HZ2 TRP 51 16.667% * 0.0105% (0.11 1.0 0.02 0.02) = 0.010% HB3 GLU- 50 - HZ2 TRP 51 16.667% * 0.0087% (0.09 1.0 0.02 12.77) = 0.009% Peak 950 (1.46, 7.30, 114.60 ppm): 14 chemical-shift based assignments, quality = 0.622, support = 1.96, residual support = 6.37: HB3 LEU 67 - HN ILE 48 7.143% * 78.0054% (0.73 2.20 6.79) = 78.005% kept HG LEU 74 - HN ILE 48 7.143% * 18.7549% (0.30 1.29 5.70) = 18.755% kept HG LEU 90 - HZ2 TRP 51 7.143% * 1.2771% (0.06 0.43 0.02) = 1.277% kept HG LEU 90 - HN ILE 48 7.143% * 0.5137% (0.53 0.02 0.02) = 0.514% HB3 LYS+ 60 - HN ILE 48 7.143% * 0.4377% (0.45 0.02 0.02) = 0.438% HG3 LYS+ 55 - HN ILE 48 7.143% * 0.2435% (0.25 0.02 0.02) = 0.243% HD3 LYS+ 113 - HN ILE 48 7.143% * 0.2174% (0.22 0.02 0.02) = 0.217% QB ALA 70 - HN ILE 48 7.143% * 0.1932% (0.20 0.02 0.02) = 0.193% HG LEU 74 - HZ2 TRP 51 7.143% * 0.1487% (0.03 0.09 0.02) = 0.149% HB3 LEU 67 - HZ2 TRP 51 7.143% * 0.0820% (0.08 0.02 0.02) = 0.082% HB3 LYS+ 60 - HZ2 TRP 51 7.143% * 0.0507% (0.05 0.02 0.02) = 0.051% HG3 LYS+ 55 - HZ2 TRP 51 7.143% * 0.0282% (0.03 0.02 0.23) = 0.028% HD3 LYS+ 113 - HZ2 TRP 51 7.143% * 0.0252% (0.03 0.02 0.02) = 0.025% QB ALA 70 - HZ2 TRP 51 7.143% * 0.0224% (0.02 0.02 0.02) = 0.022% Peak 951 (8.23, 7.30, 114.60 ppm): 26 chemical-shift based assignments, quality = 0.857, support = 3.84, residual support = 26.2: * HN SER 49 - HN ILE 48 3.846% * 64.6095% (0.94 5.42 39.04) = 64.609% kept HN LEU 67 - HN ILE 48 3.846% * 14.0352% (0.73 1.53 6.79) = 14.035% kept HN LYS+ 81 - HN ILE 48 3.846% * 6.8588% (0.73 0.75 0.02) = 6.859% kept HN GLY 58 - HN ILE 48 3.846% * 6.4834% (0.83 0.62 0.02) = 6.483% kept HN MET 118 - HN ILE 48 3.846% * 2.9771% (0.76 0.31 0.02) = 2.977% kept HN GLU- 12 - HN ILE 48 3.846% * 2.5445% (0.61 0.33 0.02) = 2.544% kept HN THR 106 - HN ILE 48 3.846% * 1.4520% (0.20 0.58 0.02) = 1.452% kept HN VAL 94 - HN ILE 48 3.846% * 0.2104% (0.83 0.02 0.02) = 0.210% HN VAL 105 - HN ILE 48 3.846% * 0.2017% (0.80 0.02 0.02) = 0.202% HN ALA 11 - HN ILE 48 3.846% * 0.1629% (0.65 0.02 0.02) = 0.163% HN GLU- 45 - HN ILE 48 3.846% * 0.1426% (0.57 0.02 0.02) = 0.143% HN LYS+ 117 - HN ILE 48 3.846% * 0.0498% (0.20 0.02 0.02) = 0.050% HN ASP- 115 - HN ILE 48 3.846% * 0.0389% (0.15 0.02 0.02) = 0.039% HN SER 49 - HZ2 TRP 51 3.846% * 0.0276% (0.11 0.02 0.02) = 0.028% HN GLY 58 - HZ2 TRP 51 3.846% * 0.0243% (0.10 0.02 3.79) = 0.024% HN VAL 94 - HZ2 TRP 51 3.846% * 0.0243% (0.10 0.02 0.02) = 0.024% HN VAL 105 - HZ2 TRP 51 3.846% * 0.0233% (0.09 0.02 0.02) = 0.023% HN MET 118 - HZ2 TRP 51 3.846% * 0.0223% (0.09 0.02 0.02) = 0.022% HN LEU 67 - HZ2 TRP 51 3.846% * 0.0212% (0.08 0.02 0.02) = 0.021% HN LYS+ 81 - HZ2 TRP 51 3.846% * 0.0212% (0.08 0.02 0.02) = 0.021% HN ALA 11 - HZ2 TRP 51 3.846% * 0.0189% (0.07 0.02 0.02) = 0.019% HN GLU- 12 - HZ2 TRP 51 3.846% * 0.0177% (0.07 0.02 0.02) = 0.018% HN GLU- 45 - HZ2 TRP 51 3.846% * 0.0165% (0.07 0.02 0.02) = 0.017% HN THR 106 - HZ2 TRP 51 3.846% * 0.0058% (0.02 0.02 0.02) = 0.006% HN LYS+ 117 - HZ2 TRP 51 3.846% * 0.0058% (0.02 0.02 0.02) = 0.006% HN ASP- 115 - HZ2 TRP 51 3.846% * 0.0045% (0.02 0.02 0.02) = 0.004% Peak 952 (0.71, 7.30, 114.60 ppm): 28 chemical-shift based assignments, quality = 0.907, support = 5.02, residual support = 95.3: * QG2 ILE 48 - HN ILE 48 3.571% * 85.4491% (0.98 5.78 110.84) = 85.449% kept HG LEU 67 - HN ILE 48 3.571% * 5.9476% (0.61 0.65 6.79) = 5.948% kept QD1 ILE 68 - HN ILE 48 3.571% * 2.9390% (0.61 0.32 0.02) = 2.939% kept HG LEU 74 - HN ILE 48 3.571% * 2.8751% (0.15 1.29 5.70) = 2.875% kept QG2 ILE 101 - HN ILE 48 3.571% * 1.3399% (0.92 0.10 0.02) = 1.340% kept QG2 VAL 40 - HN ILE 48 3.571% * 0.2521% (0.83 0.02 0.02) = 0.252% HG2 PRO 59 - HN ILE 48 3.571% * 0.1953% (0.65 0.02 0.02) = 0.195% HB2 LEU 9 - HN ILE 48 3.571% * 0.1953% (0.65 0.02 0.02) = 0.195% QD2 LEU 9 - HN ILE 48 3.571% * 0.1831% (0.61 0.02 0.02) = 0.183% QD1 LEU 9 - HN ILE 48 3.571% * 0.1241% (0.41 0.02 0.02) = 0.124% HG3 LYS+ 66 - HN ILE 48 3.571% * 0.0839% (0.28 0.02 0.02) = 0.084% QD1 ILE 19 - HN ILE 48 3.571% * 0.0597% (0.20 0.02 0.02) = 0.060% QG2 VAL 94 - HN ILE 48 3.571% * 0.0466% (0.15 0.02 0.02) = 0.047% HG12 ILE 19 - HN ILE 48 3.571% * 0.0408% (0.14 0.02 0.02) = 0.041% QG2 ILE 48 - HZ2 TRP 51 3.571% * 0.0342% (0.11 0.02 1.20) = 0.034% QG2 ILE 101 - HZ2 TRP 51 3.571% * 0.0322% (0.11 0.02 0.90) = 0.032% QG2 VAL 40 - HZ2 TRP 51 3.571% * 0.0292% (0.10 0.02 0.02) = 0.029% HG LEU 74 - HZ2 TRP 51 3.571% * 0.0228% (0.02 0.09 0.02) = 0.023% HG2 PRO 59 - HZ2 TRP 51 3.571% * 0.0226% (0.07 0.02 0.02) = 0.023% HB2 LEU 9 - HZ2 TRP 51 3.571% * 0.0226% (0.07 0.02 0.02) = 0.023% QD2 LEU 9 - HZ2 TRP 51 3.571% * 0.0212% (0.07 0.02 0.02) = 0.021% QD1 ILE 68 - HZ2 TRP 51 3.571% * 0.0212% (0.07 0.02 0.02) = 0.021% HG LEU 67 - HZ2 TRP 51 3.571% * 0.0212% (0.07 0.02 0.02) = 0.021% QD1 LEU 9 - HZ2 TRP 51 3.571% * 0.0144% (0.05 0.02 0.02) = 0.014% HG3 LYS+ 66 - HZ2 TRP 51 3.571% * 0.0097% (0.03 0.02 0.02) = 0.010% QD1 ILE 19 - HZ2 TRP 51 3.571% * 0.0069% (0.02 0.02 0.02) = 0.007% QG2 VAL 94 - HZ2 TRP 51 3.571% * 0.0054% (0.02 0.02 0.02) = 0.005% HG12 ILE 19 - HZ2 TRP 51 3.571% * 0.0047% (0.02 0.02 0.02) = 0.005% Peak 953 (3.41, 7.30, 114.60 ppm): 14 chemical-shift based assignments, quality = 0.15, support = 4.61, residual support = 91.9: * O HA ILE 48 - HN ILE 48 7.143% * 80.9207% (0.14 10.0 5.47 110.84) = 80.921% kept HA VAL 62 - HN ILE 48 7.143% * 7.9200% (0.20 1.0 1.34 10.27) = 7.920% kept HA ASN 89 - HN ILE 48 7.143% * 6.8142% (0.34 1.0 0.66 0.02) = 6.814% kept HB3 TRP 51 - HZ2 TRP 51 7.143% * 2.7995% (0.07 1.0 1.43 50.19) = 2.799% kept HA THR 39 - HN ILE 48 7.143% * 0.4342% (0.73 1.0 0.02 0.02) = 0.434% HB3 TRP 51 - HN ILE 48 7.143% * 0.3385% (0.57 1.0 0.02 1.20) = 0.339% HB2 SER 69 - HN ILE 48 7.143% * 0.3146% (0.53 1.0 0.02 0.91) = 0.315% HB THR 79 - HN ILE 48 7.143% * 0.2910% (0.49 1.0 0.02 0.02) = 0.291% HA THR 39 - HZ2 TRP 51 7.143% * 0.0502% (0.08 1.0 0.02 0.02) = 0.050% HB2 SER 69 - HZ2 TRP 51 7.143% * 0.0364% (0.06 1.0 0.02 0.02) = 0.036% HB THR 79 - HZ2 TRP 51 7.143% * 0.0337% (0.06 1.0 0.02 0.02) = 0.034% HA ASN 89 - HZ2 TRP 51 7.143% * 0.0239% (0.04 1.0 0.02 4.28) = 0.024% HA VAL 62 - HZ2 TRP 51 7.143% * 0.0137% (0.02 1.0 0.02 0.02) = 0.014% HA ILE 48 - HZ2 TRP 51 7.143% * 0.0094% (0.02 1.0 0.02 1.20) = 0.009% Peak 954 (2.13, 7.30, 114.60 ppm): 18 chemical-shift based assignments, quality = 0.903, support = 3.37, residual support = 9.43: * HB VAL 47 - HN ILE 48 5.556% * 76.2669% (0.99 4.15 12.14) = 76.267% kept HG3 GLU- 56 - HN ILE 48 5.556% * 9.1578% (0.31 1.60 1.85) = 9.158% kept HB3 GLU- 75 - HN ILE 48 5.556% * 7.3667% (0.79 0.50 0.02) = 7.367% kept HB2 ASP- 28 - HN ILE 48 5.556% * 6.1706% (0.99 0.34 0.02) = 6.171% kept HG3 GLN 102 - HN ILE 48 5.556% * 0.3329% (0.90 0.02 0.02) = 0.333% HB3 LYS+ 78 - HN ILE 48 5.556% * 0.2402% (0.65 0.02 0.02) = 0.240% HB3 LEU 43 - HN ILE 48 5.556% * 0.1032% (0.28 0.02 0.02) = 0.103% HA1 GLY 58 - HN ILE 48 5.556% * 0.0849% (0.23 0.02 0.02) = 0.085% HG2 PRO 104 - HN ILE 48 5.556% * 0.0502% (0.14 0.02 4.53) = 0.050% HB VAL 47 - HZ2 TRP 51 5.556% * 0.0426% (0.11 0.02 2.88) = 0.043% HB2 ASP- 28 - HZ2 TRP 51 5.556% * 0.0426% (0.11 0.02 0.02) = 0.043% HG3 GLN 102 - HZ2 TRP 51 5.556% * 0.0385% (0.10 0.02 0.02) = 0.039% HB3 GLU- 75 - HZ2 TRP 51 5.556% * 0.0341% (0.09 0.02 0.02) = 0.034% HB3 LYS+ 78 - HZ2 TRP 51 5.556% * 0.0278% (0.07 0.02 0.02) = 0.028% HG3 GLU- 56 - HZ2 TRP 51 5.556% * 0.0133% (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 3.79) = 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): 20 chemical-shift based assignments, quality = 0.537, support = 5.17, residual support = 104.1: O HA ILE 48 - HN ILE 48 5.000% * 93.8824% (0.52 10.0 5.47 110.84) = 93.882% kept HA ASN 89 - HN ILE 48 5.000% * 5.2819% (0.89 1.0 0.66 0.02) = 5.282% kept HD3 PRO 86 - HN ILE 48 5.000% * 0.1657% (0.92 1.0 0.02 0.02) = 0.166% HA VAL 13 - HN ILE 48 5.000% * 0.1161% (0.65 1.0 0.02 0.02) = 0.116% HA LYS+ 44 - HN ILE 48 5.000% * 0.0983% (0.55 1.0 0.02 0.02) = 0.098% HB3 SER 88 - HN ILE 48 5.000% * 0.0945% (0.53 1.0 0.02 0.02) = 0.094% HA2 GLY 92 - HN ILE 48 5.000% * 0.0874% (0.49 1.0 0.02 0.02) = 0.087% HA VAL 87 - HN ILE 48 5.000% * 0.0738% (0.41 1.0 0.02 0.02) = 0.074% HD3 PRO 116 - HN ILE 48 5.000% * 0.0554% (0.31 1.0 0.02 0.02) = 0.055% HB2 SER 85 - HN ILE 48 5.000% * 0.0314% (0.17 1.0 0.02 0.02) = 0.031% HD3 PRO 86 - HZ2 TRP 51 5.000% * 0.0192% (0.11 1.0 0.02 0.02) = 0.019% HA ASN 89 - HZ2 TRP 51 5.000% * 0.0185% (0.10 1.0 0.02 4.28) = 0.018% HA VAL 13 - HZ2 TRP 51 5.000% * 0.0134% (0.07 1.0 0.02 1.62) = 0.013% HA LYS+ 44 - HZ2 TRP 51 5.000% * 0.0114% (0.06 1.0 0.02 0.02) = 0.011% HB3 SER 88 - HZ2 TRP 51 5.000% * 0.0109% (0.06 1.0 0.02 0.02) = 0.011% HA ILE 48 - HZ2 TRP 51 5.000% * 0.0109% (0.06 1.0 0.02 1.20) = 0.011% HA2 GLY 92 - HZ2 TRP 51 5.000% * 0.0101% (0.06 1.0 0.02 0.02) = 0.010% HA VAL 87 - HZ2 TRP 51 5.000% * 0.0085% (0.05 1.0 0.02 0.02) = 0.009% HD3 PRO 116 - HZ2 TRP 51 5.000% * 0.0064% (0.04 1.0 0.02 0.02) = 0.006% HB2 SER 85 - HZ2 TRP 51 5.000% * 0.0036% (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 = 3.44, residual support = 10.8: * QG2 VAL 47 - HN ILE 48 3.333% * 63.9978% (0.87 3.82 12.14) = 63.998% kept QG1 VAL 47 - HN ILE 48 3.333% * 17.7510% (0.20 4.64 12.14) = 17.751% kept HG LEU 74 - HN ILE 48 3.333% * 12.1364% (0.49 1.29 5.70) = 12.136% kept QD1 LEU 67 - HN ILE 48 3.333% * 2.1134% (0.15 0.71 6.79) = 2.113% kept QG2 VAL 47 - HZ2 TRP 51 3.333% * 0.9436% (0.10 0.49 2.88) = 0.944% QG2 VAL 122 - HN ILE 48 3.333% * 0.3855% (1.00 0.02 0.02) = 0.386% QG1 VAL 40 - HN ILE 48 3.333% * 0.3567% (0.92 0.02 0.02) = 0.357% QG2 VAL 125 - HN ILE 48 3.333% * 0.3465% (0.90 0.02 0.02) = 0.347% QG2 ILE 100 - HN ILE 48 3.333% * 0.3228% (0.83 0.02 0.02) = 0.323% QD1 LEU 90 - HN ILE 48 3.333% * 0.3094% (0.80 0.02 0.02) = 0.309% QG1 VAL 122 - HN ILE 48 3.333% * 0.2806% (0.73 0.02 0.02) = 0.281% QG1 VAL 80 - HN ILE 48 3.333% * 0.2188% (0.57 0.02 0.02) = 0.219% HB ILE 101 - HN ILE 48 3.333% * 0.1589% (0.41 0.02 0.02) = 0.159% HG3 LYS+ 117 - HN ILE 48 3.333% * 0.1074% (0.28 0.02 0.02) = 0.107% HG LEU 74 - HZ2 TRP 51 3.333% * 0.0962% (0.06 0.09 0.02) = 0.096% QG2 VAL 105 - HN ILE 48 3.333% * 0.0860% (0.22 0.02 0.02) = 0.086% HG2 LYS+ 117 - HN ILE 48 3.333% * 0.0677% (0.17 0.02 0.02) = 0.068% QG2 VAL 122 - HZ2 TRP 51 3.333% * 0.0446% (0.12 0.02 0.02) = 0.045% QG1 VAL 40 - HZ2 TRP 51 3.333% * 0.0413% (0.11 0.02 0.02) = 0.041% QG2 VAL 125 - HZ2 TRP 51 3.333% * 0.0401% (0.10 0.02 0.02) = 0.040% QG2 ILE 100 - HZ2 TRP 51 3.333% * 0.0374% (0.10 0.02 0.51) = 0.037% QD1 LEU 90 - HZ2 TRP 51 3.333% * 0.0358% (0.09 0.02 0.02) = 0.036% QG1 VAL 122 - HZ2 TRP 51 3.333% * 0.0325% (0.08 0.02 0.02) = 0.032% QG1 VAL 80 - HZ2 TRP 51 3.333% * 0.0253% (0.07 0.02 0.02) = 0.025% HB ILE 101 - HZ2 TRP 51 3.333% * 0.0184% (0.05 0.02 0.90) = 0.018% HG3 LYS+ 117 - HZ2 TRP 51 3.333% * 0.0124% (0.03 0.02 0.02) = 0.012% QG2 VAL 105 - HZ2 TRP 51 3.333% * 0.0100% (0.03 0.02 0.02) = 0.010% QG1 VAL 47 - HZ2 TRP 51 3.333% * 0.0088% (0.02 0.02 2.88) = 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% * 0.0069% (0.02 0.02 0.02) = 0.007% Peak 957 (8.11, 8.11, 114.03 ppm): 1 diagonal assignment: HN GLY 2 - HN GLY 2 (1.00) kept Reference assignment not found: HN HIS+ 3 - HN GLY 2 Peak 958 (4.36, 8.11, 114.03 ppm): 15 chemical-shift based assignments, quality = 0.982, support = 0.967, residual support = 1.37: * O HA MET 1 - HN GLY 2 6.667% * 96.2128% (1.00 10.0 1.00 1.42) = 96.213% kept HA HIS+ 3 - HN GLY 2 6.667% * 2.1064% (0.92 1.0 0.24 0.02) = 2.106% kept HA VAL 73 - HN GLY 2 6.667% * 0.1915% (1.00 1.0 0.02 0.02) = 0.191% HA LYS+ 117 - HN GLY 2 6.667% * 0.1886% (0.98 1.0 0.02 0.02) = 0.189% HA1 GLY 26 - HN GLY 2 6.667% * 0.1886% (0.98 1.0 0.02 0.02) = 0.189% HA2 GLY 26 - HN GLY 2 6.667% * 0.1776% (0.92 1.0 0.02 0.02) = 0.178% HB3 HIS+ 4 - HN GLY 2 6.667% * 0.1607% (0.84 1.0 0.02 0.02) = 0.161% HA ASN 89 - HN GLY 2 6.667% * 0.1523% (0.79 1.0 0.02 0.02) = 0.152% HA THR 38 - HN GLY 2 6.667% * 0.1245% (0.65 1.0 0.02 0.02) = 0.124% HA LYS+ 60 - HN GLY 2 6.667% * 0.1012% (0.53 1.0 0.02 0.02) = 0.101% HB THR 61 - HN GLY 2 6.667% * 0.1012% (0.53 1.0 0.02 0.02) = 0.101% HA VAL 94 - HN GLY 2 6.667% * 0.0863% (0.45 1.0 0.02 0.02) = 0.086% HA ALA 37 - HN GLY 2 6.667% * 0.0863% (0.45 1.0 0.02 0.02) = 0.086% HA ASN 57 - HN GLY 2 6.667% * 0.0791% (0.41 1.0 0.02 0.02) = 0.079% HA TRP 51 - HN GLY 2 6.667% * 0.0428% (0.22 1.0 0.02 0.02) = 0.043% Peak 959 (2.42, 8.11, 114.03 ppm): 4 chemical-shift based assignments, quality = 0.896, support = 0.586, residual support = 0.902: * HB2 MET 1 - HN GLY 2 25.000% * 62.9065% (1.00 0.75 1.42) = 62.906% kept HG2 GLU- 45 - HN GLY 2 25.000% * 21.7351% (0.87 0.30 0.02) = 21.735% kept HG3 GLU- 45 - HN GLY 2 25.000% * 14.0918% (0.49 0.35 0.02) = 14.092% kept HA1 GLY 58 - HN GLY 2 25.000% * 1.2666% (0.76 0.02 0.02) = 1.267% kept Peak 960 (2.89, 7.63, 113.99 ppm): 3 chemical-shift based assignments, quality = 0.729, support = 1.54, residual support = 8.92: HA1 GLY 58 - HD21 ASN 57 33.333% * 64.2553% (0.63 1.97 13.52) = 64.255% kept HB2 HIS+ 98 - HD21 ASN 57 33.333% * 35.6012% (0.90 0.77 0.64) = 35.601% kept HE3 LYS+ 60 - HD21 ASN 57 33.333% * 0.1435% (0.14 0.02 0.02) = 0.143% Peak 961 (6.96, 7.62, 113.99 ppm): 1 chemical-shift based assignment, quality = 0.991, support = 1.0, residual support = 5.59: * O T HD22 ASN 57 - HD21 ASN 57 100.000% *100.0000% (0.99 10.0 10.00 1.00 5.59) = 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 = 0.698, support = 1.52, residual support = 8.89: HA1 GLY 58 - HD22 ASN 57 25.000% * 64.1626% (0.64 1.97 13.52) = 64.163% kept HB2 HIS+ 98 - HD22 ASN 57 25.000% * 33.4902% (0.85 0.77 0.64) = 33.490% kept HG3 MET 97 - HD22 ASN 57 25.000% * 2.0240% (0.26 0.15 0.02) = 2.024% kept HE3 LYS+ 60 - HD22 ASN 57 25.000% * 0.3232% (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 = 0.989, residual support = 5.51: * O T HD21 ASN 57 - HD22 ASN 57 33.333% * 98.4427% (1.00 10.0 10.00 1.00 5.59) = 98.443% kept HE22 GLN 16 - HD22 ASN 57 33.333% * 1.4856% (0.94 1.0 1.00 0.32 0.02) = 1.486% kept HN ASP- 25 - HD22 ASN 57 33.333% * 0.0716% (0.73 1.0 1.00 0.02 0.02) = 0.072% Peak 966 (6.97, 6.97, 113.99 ppm): 1 diagonal assignment: * HD22 ASN 57 - HD22 ASN 57 (1.00) kept Peak 972 (8.27, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 973 (4.32, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 974 (7.61, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 975 (3.65, 8.28, 112.89 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 976 (7.58, 7.59, 112.73 ppm): 1 diagonal assignment: * HD21 ASN 15 - HD21 ASN 15 (0.90) kept Peak 977 (4.78, 7.59, 112.73 ppm): 8 chemical-shift based assignments, quality = 0.94, support = 2.22, residual support = 7.5: * HA ASN 15 - HD21 ASN 15 12.500% * 54.4461% (0.98 3.11 13.41) = 54.446% kept HA PRO 116 - HD21 ASN 15 12.500% * 22.1833% (0.97 1.28 0.55) = 22.183% kept HA ASP- 115 - HD21 ASN 15 12.500% * 18.8320% (0.97 1.08 0.40) = 18.832% kept HA ASN 89 - HD21 ASN 15 12.500% * 4.0569% (0.25 0.89 0.02) = 4.057% kept HA LYS+ 113 - HD21 ASN 15 12.500% * 0.3041% (0.85 0.02 0.02) = 0.304% HA VAL 40 - HD21 ASN 15 12.500% * 0.0694% (0.19 0.02 0.02) = 0.069% HA MET 118 - HD21 ASN 15 12.500% * 0.0541% (0.15 0.02 0.02) = 0.054% HA HIS+ 5 - HD21 ASN 15 12.500% * 0.0541% (0.15 0.02 0.02) = 0.054% Peak 978 (6.89, 7.59, 112.73 ppm): 3 chemical-shift based assignments, quality = 0.846, support = 1.49, residual support = 13.4: * O HD22 ASN 15 - HD21 ASN 15 33.333% * 99.7149% (0.85 10.0 1.49 13.41) = 99.715% kept QD PHE 21 - HD21 ASN 15 33.333% * 0.1513% (0.96 1.0 0.02 0.57) = 0.151% HD21 ASN 119 - HD21 ASN 15 33.333% * 0.1339% (0.85 1.0 0.02 0.02) = 0.134% Peak 979 (2.75, 7.59, 112.73 ppm): 7 chemical-shift based assignments, quality = 0.452, support = 1.78, residual support = 11.7: * O HB3 ASN 15 - HD21 ASN 15 14.286% * 87.3549% (0.40 10.0 1.94 13.41) = 87.355% kept HA1 GLY 58 - HD21 ASN 15 14.286% * 8.9001% (0.92 1.0 0.86 0.17) = 8.900% kept HB3 ASP- 115 - HD21 ASN 15 14.286% * 3.0885% (0.59 1.0 0.46 0.40) = 3.088% kept HB2 HIS+ 5 - HD21 ASN 15 14.286% * 0.2149% (0.96 1.0 0.02 0.02) = 0.215% HE3 LYS+ 20 - HD21 ASN 15 14.286% * 0.2115% (0.94 1.0 0.02 0.27) = 0.212% HB3 PHE 21 - HD21 ASN 15 14.286% * 0.1755% (0.78 1.0 0.02 0.57) = 0.176% HB3 HIS+ 6 - HD21 ASN 15 14.286% * 0.0547% (0.24 1.0 0.02 0.02) = 0.055% Peak 980 (6.89, 6.90, 112.68 ppm): 1 diagonal assignment: * HD22 ASN 15 - HD22 ASN 15 (0.94) kept Peak 981 (7.58, 6.90, 112.68 ppm): 5 chemical-shift based assignments, quality = 0.879, support = 1.48, residual support = 13.3: * O T HD21 ASN 15 - HD22 ASN 15 20.000% * 99.1323% (0.89 10.0 10.00 1.49 13.41) = 99.132% kept T HD22 ASN 119 - HD22 ASN 15 20.000% * 0.6704% (0.60 1.0 10.00 0.02 0.02) = 0.670% HN LYS+ 78 - HD22 ASN 15 20.000% * 0.1083% (0.97 1.0 1.00 0.02 0.02) = 0.108% HN VAL 65 - HD22 ASN 15 20.000% * 0.0670% (0.60 1.0 1.00 0.02 0.02) = 0.067% HN ASP- 25 - HD22 ASN 15 20.000% * 0.0219% (0.20 1.0 1.00 0.02 0.02) = 0.022% Peak 982 (2.79, 6.90, 112.68 ppm): 8 chemical-shift based assignments, quality = 0.481, support = 1.8, residual support = 11.3: * O HB3 ASN 15 - HD22 ASN 15 12.500% * 84.3204% (0.41 10.0 1.99 13.41) = 84.320% kept HA1 GLY 58 - HD22 ASN 15 12.500% * 9.3792% (0.88 1.0 1.02 0.17) = 9.379% kept HB3 ASN 89 - HD22 ASN 15 12.500% * 5.5892% (0.99 1.0 0.54 0.02) = 5.589% kept HB2 ASN 119 - HD22 ASN 15 12.500% * 0.1993% (0.95 1.0 0.02 0.02) = 0.199% HB3 ASN 57 - HD22 ASN 15 12.500% * 0.1993% (0.95 1.0 0.02 0.02) = 0.199% HA2 GLY 58 - HD22 ASN 15 12.500% * 0.1336% (0.64 1.0 0.02 0.17) = 0.134% HE3 LYS+ 32 - HD22 ASN 15 12.500% * 0.1086% (0.52 1.0 0.02 0.02) = 0.109% HE3 LYS+ 111 - HD22 ASN 15 12.500% * 0.0704% (0.34 1.0 0.02 0.02) = 0.070% Peak 983 (4.77, 6.90, 112.68 ppm): 8 chemical-shift based assignments, quality = 0.82, support = 2.16, residual support = 7.37: * HA ASN 15 - HD22 ASN 15 12.500% * 53.4623% (0.83 3.04 13.41) = 53.462% kept HA ASP- 115 - HD22 ASN 15 12.500% * 24.5377% (0.91 1.26 0.40) = 24.538% kept HA PRO 116 - HD22 ASN 15 12.500% * 18.7488% (0.79 1.11 0.55) = 18.749% kept HA ASN 89 - HD22 ASN 15 12.500% * 2.5091% (0.26 0.45 0.02) = 2.509% kept HA LYS+ 113 - HD22 ASN 15 12.500% * 0.2381% (0.56 0.02 0.02) = 0.238% HA VAL 40 - HD22 ASN 15 12.500% * 0.1885% (0.44 0.02 0.02) = 0.189% HA MET 118 - HD22 ASN 15 12.500% * 0.1578% (0.37 0.02 0.02) = 0.158% HA HIS+ 5 - HD22 ASN 15 12.500% * 0.1578% (0.37 0.02 0.02) = 0.158% Peak 984 (4.65, 6.90, 112.68 ppm): 5 chemical-shift based assignments, quality = 0.784, support = 0.37, residual support = 0.178: HA LYS+ 20 - HD22 ASN 15 20.000% * 62.7299% (0.99 0.37 0.27) = 62.730% kept HA ASN 89 - HD22 ASN 15 20.000% * 30.9576% (0.40 0.45 0.02) = 30.958% kept HA LYS+ 120 - HD22 ASN 15 20.000% * 2.7426% (0.79 0.02 0.02) = 2.743% kept HA ASP- 36 - HD22 ASN 15 20.000% * 2.6176% (0.76 0.02 0.02) = 2.618% kept HA TYR 83 - HD22 ASN 15 20.000% * 0.9523% (0.27 0.02 0.02) = 0.952% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 985 (4.90, 6.90, 112.68 ppm): 6 chemical-shift based assignments, quality = 0.382, support = 0.225, residual support = 0.02: HA ASN 89 - HD22 ASN 15 16.667% * 34.6213% (0.16 0.45 0.02) = 34.621% kept HA GLN 102 - HD22 ASN 15 16.667% * 29.8740% (0.68 0.09 0.02) = 29.874% kept HA ILE 19 - HD22 ASN 15 16.667% * 19.8776% (0.20 0.20 0.02) = 19.878% kept HA ALA 33 - HD22 ASN 15 16.667% * 6.7582% (0.68 0.02 0.02) = 6.758% kept HA HIS+ 98 - HD22 ASN 15 16.667% * 5.1763% (0.52 0.02 0.02) = 5.176% kept HA SER 69 - HD22 ASN 15 16.667% * 3.6925% (0.37 0.02 0.02) = 3.693% kept Not enough total support, support cutoff is 0.44 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, 112.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 989 (6.87, 7.64, 112.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 990 (7.65, 7.64, 112.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 991 (0.81, 7.64, 112.59 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 992 (2.79, 7.57, 112.23 ppm): 8 chemical-shift based assignments, quality = 0.917, support = 2.12, residual support = 6.53: * O HB2 ASN 119 - HD22 ASN 119 12.500% * 99.4725% (0.92 10.0 2.13 6.56) = 99.473% kept HB3 ASN 89 - HD22 ASN 119 12.500% * 0.1075% (1.00 1.0 0.02 0.02) = 0.108% HB3 ASN 57 - HD22 ASN 119 12.500% * 0.0995% (0.92 1.0 0.02 0.02) = 0.099% HA1 GLY 58 - HD22 ASN 119 12.500% * 0.0958% (0.89 1.0 0.02 0.02) = 0.096% HA2 GLY 58 - HD22 ASN 119 12.500% * 0.0782% (0.73 1.0 0.02 0.02) = 0.078% HE3 LYS+ 32 - HD22 ASN 119 12.500% * 0.0654% (0.61 1.0 0.02 0.02) = 0.065% HE3 LYS+ 111 - HD22 ASN 119 12.500% * 0.0443% (0.41 1.0 0.02 0.02) = 0.044% HB3 ASN 15 - HD22 ASN 119 12.500% * 0.0368% (0.34 1.0 0.02 0.02) = 0.037% Peak 993 (6.88, 7.57, 112.23 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 1.05, residual support = 6.54: O HD21 ASN 119 - HD22 ASN 119 25.000% * 99.6562% (1.00 10.0 1.06 6.56) = 99.656% kept QD PHE 21 - HD22 ASN 119 25.000% * 0.1822% (0.96 1.0 0.02 0.02) = 0.182% HD22 ASN 15 - HD22 ASN 119 25.000% * 0.1145% (0.61 1.0 0.02 0.02) = 0.115% HZ PHE 21 - HD22 ASN 119 25.000% * 0.0471% (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): 7 chemical-shift based assignments, quality = 0.81, support = 0.956, residual support = 4.76: * HA ASN 119 - HD22 ASN 119 14.286% * 70.8995% (1.00 0.99 6.56) = 70.899% kept HA LYS+ 120 - HD22 ASN 119 14.286% * 21.1564% (0.25 1.18 0.44) = 21.156% kept HA ASN 89 - HD22 ASN 119 14.286% * 3.6528% (0.36 0.14 0.02) = 3.653% kept HA THR 61 - HD22 ASN 119 14.286% * 1.4080% (0.98 0.02 0.02) = 1.408% kept HA GLN 16 - HD22 ASN 119 14.286% * 1.3862% (0.96 0.02 0.85) = 1.386% kept HA TYR 83 - HD22 ASN 119 14.286% * 1.0978% (0.76 0.02 0.02) = 1.098% kept HA ASP- 36 - HD22 ASN 119 14.286% * 0.3994% (0.28 0.02 0.02) = 0.399% Peak 996 (7.59, 8.15, 110.39 ppm): 5 chemical-shift based assignments, quality = 0.947, support = 4.12, residual support = 11.8: * T HN LYS+ 78 - HN SER 77 20.000% * 98.6504% (0.96 10.00 4.18 11.93) = 98.650% kept HD22 ASN 119 - HN SER 77 20.000% * 0.8836% (0.34 1.00 0.51 0.02) = 0.884% HD21 ASN 15 - HN SER 77 20.000% * 0.3891% (1.00 1.00 0.08 0.02) = 0.389% HN ASP- 25 - HN SER 77 20.000% * 0.0420% (0.41 1.00 0.02 0.02) = 0.042% HN VAL 65 - HN SER 77 20.000% * 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): 12 chemical-shift based assignments, quality = 0.906, support = 2.03, residual support = 2.84: O HA SER 77 - HN SER 77 8.333% * 63.0843% (0.86 10.0 2.65 4.30) = 63.084% kept * O HA ASN 76 - HN SER 77 8.333% * 36.3628% (1.00 10.0 1.00 0.36) = 36.363% kept HA ASN 89 - HN SER 77 8.333% * 0.2752% (0.61 1.0 0.12 0.12) = 0.275% HA CYS 123 - HN SER 77 8.333% * 0.0688% (0.94 1.0 0.02 0.02) = 0.069% HB THR 46 - HN SER 77 8.333% * 0.0354% (0.48 1.0 0.02 0.02) = 0.035% HA LYS+ 55 - HN SER 77 8.333% * 0.0354% (0.48 1.0 0.02 0.02) = 0.035% HA VAL 73 - HN SER 77 8.333% * 0.0352% (0.48 1.0 0.02 0.02) = 0.035% HA ALA 103 - HN SER 77 8.333% * 0.0273% (0.37 1.0 0.02 0.02) = 0.027% HA LYS+ 32 - HN SER 77 8.333% * 0.0248% (0.34 1.0 0.02 0.02) = 0.025% HA PRO 86 - HN SER 77 8.333% * 0.0202% (0.28 1.0 0.02 0.02) = 0.020% HA ILE 100 - HN SER 77 8.333% * 0.0162% (0.22 1.0 0.02 0.02) = 0.016% HA ILE 101 - HN SER 77 8.333% * 0.0144% (0.20 1.0 0.02 0.02) = 0.014% Peak 999 (2.83, 8.15, 110.39 ppm): 5 chemical-shift based assignments, quality = 0.931, support = 0.305, residual support = 0.151: HB3 HIS+ 3 - HN SER 77 20.000% * 88.2698% (0.96 0.34 0.17) = 88.270% kept HB3 ASN 119 - HN SER 77 20.000% * 4.7789% (0.89 0.02 0.02) = 4.779% kept HA1 GLY 58 - HN SER 77 20.000% * 4.3734% (0.82 0.02 0.02) = 4.373% kept HE3 LYS+ 111 - HN SER 77 20.000% * 1.6447% (0.31 0.02 0.02) = 1.645% kept HE3 LYS+ 32 - HN SER 77 20.000% * 0.9332% (0.17 0.02 0.02) = 0.933% Not enough total support, support cutoff is 0.44 Peak unassigned. Peak 1000 (3.91, 8.15, 110.39 ppm): 13 chemical-shift based assignments, quality = 0.804, support = 1.97, residual support = 4.27: * O HB2 SER 77 - HN SER 77 7.692% * 63.2932% (1.00 10.0 1.71 4.30) = 63.293% kept O HB3 SER 77 - HN SER 77 7.692% * 35.9534% (0.48 10.0 2.46 4.30) = 35.953% kept HA ASN 89 - HN SER 77 7.692% * 0.4277% (0.94 1.0 0.12 0.12) = 0.428% HA THR 96 - HN SER 77 7.692% * 0.0732% (0.99 1.0 0.02 0.02) = 0.073% HA LYS+ 44 - HN SER 77 7.692% * 0.0617% (0.83 1.0 0.02 0.02) = 0.062% HB THR 96 - HN SER 77 7.692% * 0.0418% (0.56 1.0 0.02 0.02) = 0.042% HA LEU 74 - HN SER 77 7.692% * 0.0360% (0.48 1.0 0.02 0.02) = 0.036% HB3 CYS 121 - HN SER 77 7.692% * 0.0277% (0.37 1.0 0.02 0.02) = 0.028% HA VAL 122 - HN SER 77 7.692% * 0.0205% (0.28 1.0 0.02 0.02) = 0.021% HA ILE 48 - HN SER 77 7.692% * 0.0203% (0.27 1.0 0.02 0.02) = 0.020% HD2 PRO 86 - HN SER 77 7.692% * 0.0184% (0.25 1.0 0.02 0.02) = 0.018% HD2 PRO 116 - HN SER 77 7.692% * 0.0146% (0.20 1.0 0.02 0.02) = 0.015% HA VAL 125 - HN SER 77 7.692% * 0.0114% (0.15 1.0 0.02 0.02) = 0.011% Peak 1001 (4.10, 8.15, 110.39 ppm): 8 chemical-shift based assignments, quality = 0.827, support = 0.144, residual support = 0.0499: HA VAL 105 - HN SER 77 12.500% * 44.7283% (0.86 0.21 0.02) = 44.728% kept HA ASN 89 - HN SER 77 12.500% * 30.3722% (0.99 0.12 0.12) = 30.372% kept HB THR 106 - HN SER 77 12.500% * 10.2334% (0.37 0.11 0.02) = 10.233% kept HA ALA 70 - HN SER 77 12.500% * 4.9668% (0.99 0.02 0.02) = 4.967% kept HA LYS+ 44 - HN SER 77 12.500% * 3.4278% (0.69 0.02 0.02) = 3.428% kept HA THR 46 - HN SER 77 12.500% * 3.0192% (0.60 0.02 0.02) = 3.019% kept HA LYS+ 63 - HN SER 77 12.500% * 1.8682% (0.37 0.02 0.02) = 1.868% kept HA ARG+ 53 - HN SER 77 12.500% * 1.3840% (0.28 0.02 0.02) = 1.384% kept Not enough support, support cutoff is 0.22 Peak unassigned. Peak 1002 (2.38, 8.15, 110.39 ppm): 4 chemical-shift based assignments, quality = 0.929, support = 2.57, residual support = 11.8: HB2 LYS+ 78 - HN SER 77 25.000% * 98.6700% (0.94 2.60 11.93) = 98.670% kept HB3 ASP- 28 - HN SER 77 25.000% * 0.6133% (0.76 0.02 0.02) = 0.613% HA1 GLY 58 - HN SER 77 25.000% * 0.5381% (0.67 0.02 0.02) = 0.538% HB2 CYS 121 - HN SER 77 25.000% * 0.1787% (0.22 0.02 0.02) = 0.179% Peak 1003 (2.17, 8.15, 110.39 ppm): 11 chemical-shift based assignments, quality = 0.556, support = 1.98, residual support = 7.78: HB3 LYS+ 78 - HN SER 77 9.091% * 65.1040% (0.48 2.89 11.93) = 65.104% kept HB3 PRO 104 - HN SER 77 9.091% * 11.3864% (0.56 0.43 0.02) = 11.386% kept HG3 GLN 16 - HN SER 77 9.091% * 10.7486% (0.96 0.24 0.02) = 10.749% kept HB3 GLU- 75 - HN SER 77 9.091% * 5.1194% (0.46 0.24 0.02) = 5.119% kept HG2 PRO 104 - HN SER 77 9.091% * 5.0234% (0.99 0.11 0.02) = 5.023% kept HG2 GLN 102 - HN SER 77 9.091% * 0.7409% (0.80 0.02 0.02) = 0.741% HB2 ASP- 82 - HN SER 77 9.091% * 0.7071% (0.76 0.02 0.02) = 0.707% HG2 GLN 16 - HN SER 77 9.091% * 0.5612% (0.60 0.02 0.02) = 0.561% HA1 GLY 58 - HN SER 77 9.091% * 0.2531% (0.27 0.02 0.02) = 0.253% HG3 GLN 102 - HN SER 77 9.091% * 0.2307% (0.25 0.02 0.02) = 0.231% HG2 MET 126 - HN SER 77 9.091% * 0.1252% (0.13 0.02 0.02) = 0.125% Peak 1004 (6.64, 7.37, 110.14 ppm): 2 chemical-shift based assignments, quality = 0.958, support = 0.998, residual support = 22.7: O HE21 GLN 102 - HE22 GLN 102 50.000% * 99.7994% (0.96 10.0 1.00 22.76) = 99.799% kept HE21 GLN 102 - HE ARG+ 53 50.000% * 0.2006% (0.97 1.0 0.02 0.02) = 0.201% Peak 1005 (2.23, 7.37, 110.14 ppm): 26 chemical-shift based assignments, quality = 0.669, support = 0.438, residual support = 2.64: HB3 PRO 52 - HE ARG+ 53 3.846% * 39.4871% (0.90 0.79 4.50) = 39.487% kept HG3 GLU- 18 - HE22 GLN 102 3.846% * 9.9538% (0.64 0.28 0.60) = 9.954% kept HA1 GLY 58 - HE ARG+ 53 3.846% * 8.7333% (0.39 0.41 0.02) = 8.733% kept HG3 MET 126 - HE22 GLN 102 3.846% * 6.0669% (0.37 0.29 1.52) = 6.067% kept HB3 PRO 52 - HE22 GLN 102 3.846% * 5.5884% (0.89 0.11 0.02) = 5.588% kept HA1 GLY 58 - HE22 GLN 102 3.846% * 4.3363% (0.38 0.20 0.02) = 4.336% kept HG2 GLU- 56 - HE22 GLN 102 3.846% * 4.0992% (0.89 0.08 0.02) = 4.099% kept HG3 MET 118 - HE22 GLN 102 3.846% * 3.8571% (0.80 0.09 0.02) = 3.857% kept HG3 GLU- 54 - HE ARG+ 53 3.846% * 3.7647% (0.14 0.50 18.64) = 3.765% kept HB2 GLU- 50 - HE ARG+ 53 3.846% * 2.5579% (0.57 0.08 0.02) = 2.558% kept HG3 GLU- 75 - HE ARG+ 53 3.846% * 1.1082% (1.00 0.02 0.02) = 1.108% kept HG3 GLU- 75 - HE22 GLN 102 3.846% * 1.1027% (0.99 0.02 0.11) = 1.103% kept HG3 GLU- 10 - HE ARG+ 53 3.846% * 1.0253% (0.92 0.02 0.02) = 1.025% kept HG3 GLU- 10 - HE22 GLN 102 3.846% * 1.0201% (0.92 0.02 0.02) = 1.020% kept HG2 GLU- 56 - HE ARG+ 53 3.846% * 0.9961% (0.90 0.02 0.02) = 0.996% HG3 MET 118 - HE ARG+ 53 3.846% * 0.8893% (0.80 0.02 0.02) = 0.889% HG3 GLU- 18 - HE ARG+ 53 3.846% * 0.7185% (0.65 0.02 0.02) = 0.718% HG3 GLU- 107 - HE ARG+ 53 3.846% * 0.6736% (0.61 0.02 0.02) = 0.674% HG3 GLU- 107 - HE22 GLN 102 3.846% * 0.6703% (0.60 0.02 0.02) = 0.670% HB2 GLU- 50 - HE22 GLN 102 3.846% * 0.6257% (0.56 0.02 0.02) = 0.626% HB VAL 80 - HE ARG+ 53 3.846% * 0.5843% (0.53 0.02 0.02) = 0.584% HB VAL 80 - HE22 GLN 102 3.846% * 0.5814% (0.52 0.02 0.02) = 0.581% HG3 GLU- 109 - HE ARG+ 53 3.846% * 0.4979% (0.45 0.02 0.02) = 0.498% HG3 GLU- 109 - HE22 GLN 102 3.846% * 0.4955% (0.45 0.02 0.02) = 0.495% HG3 MET 126 - HE ARG+ 53 3.846% * 0.4168% (0.38 0.02 0.02) = 0.417% HG3 GLU- 54 - HE22 GLN 102 3.846% * 0.1496% (0.13 0.02 0.02) = 0.150% Peak 1006 (2.08, 7.37, 110.14 ppm): 24 chemical-shift based assignments, quality = 0.558, support = 0.87, residual support = 8.53: * O HG3 ARG+ 53 - HE ARG+ 53 4.167% * 80.2510% (0.53 10.0 1.00 10.62) = 80.251% kept HB3 GLU- 75 - HE22 GLN 102 4.167% * 9.1780% (0.98 1.0 0.62 0.11) = 9.178% kept HB VAL 125 - HE22 GLN 102 4.167% * 2.5566% (0.89 1.0 0.19 0.02) = 2.557% kept HB3 GLU- 75 - HE ARG+ 53 4.167% * 1.1687% (0.98 1.0 0.08 0.02) = 1.169% kept HB3 LYS+ 120 - HE22 GLN 102 4.167% * 1.1479% (0.86 1.0 0.09 0.02) = 1.148% kept HA1 GLY 58 - HE ARG+ 53 4.167% * 1.0478% (0.17 1.0 0.41 0.02) = 1.048% kept HG3 ARG+ 53 - HE22 GLN 102 4.167% * 0.8203% (0.52 1.0 0.10 0.02) = 0.820% HA1 GLY 58 - HE22 GLN 102 4.167% * 0.5202% (0.17 1.0 0.20 0.02) = 0.520% HD3 LYS+ 110 - HE ARG+ 53 4.167% * 0.3024% (0.99 1.0 0.02 0.02) = 0.302% HD3 LYS+ 110 - HE22 GLN 102 4.167% * 0.3009% (0.99 1.0 0.02 0.02) = 0.301% HB2 LYS+ 110 - HE ARG+ 53 4.167% * 0.2944% (0.97 1.0 0.02 0.02) = 0.294% HB2 LYS+ 110 - HE22 GLN 102 4.167% * 0.2929% (0.96 1.0 0.02 0.02) = 0.293% HB2 LEU 43 - HE ARG+ 53 4.167% * 0.2816% (0.92 1.0 0.02 0.02) = 0.282% HB2 LEU 43 - HE22 GLN 102 4.167% * 0.2802% (0.92 1.0 0.02 0.02) = 0.280% HB VAL 125 - HE ARG+ 53 4.167% * 0.2736% (0.90 1.0 0.02 0.02) = 0.274% HB3 LYS+ 120 - HE ARG+ 53 4.167% * 0.2646% (0.87 1.0 0.02 0.02) = 0.265% HB VAL 87 - HE ARG+ 53 4.167% * 0.1973% (0.65 1.0 0.02 0.02) = 0.197% HB VAL 87 - HE22 GLN 102 4.167% * 0.1964% (0.64 1.0 0.02 0.02) = 0.196% HB VAL 65 - HE ARG+ 53 4.167% * 0.1850% (0.61 1.0 0.02 0.02) = 0.185% HB VAL 65 - HE22 GLN 102 4.167% * 0.1841% (0.60 1.0 0.02 0.02) = 0.184% HB3 LEU 43 - HE ARG+ 53 4.167% * 0.0679% (0.22 1.0 0.02 0.02) = 0.068% HB3 LEU 43 - HE22 GLN 102 4.167% * 0.0676% (0.22 1.0 0.02 0.02) = 0.068% HG3 GLU- 56 - HE ARG+ 53 4.167% * 0.0604% (0.20 1.0 0.02 0.02) = 0.060% HG3 GLU- 56 - HE22 GLN 102 4.167% * 0.0601% (0.20 1.0 0.02 0.02) = 0.060% Peak 1007 (7.36, 7.37, 110.14 ppm): 2 diagonal assignments: * HE22 GLN 102 - HE22 GLN 102 (0.99) kept HE ARG+ 53 - HE ARG+ 53 (0.97) kept Peak 1008 (1.71, 7.37, 110.14 ppm): 6 chemical-shift based assignments, quality = 0.855, support = 0.135, residual support = 0.02: HB ILE 48 - HE22 GLN 102 16.667% * 50.7064% (0.86 0.19 0.02) = 50.706% kept HB ILE 48 - HE ARG+ 53 16.667% * 31.7674% (0.87 0.12 0.02) = 31.767% kept HB2 GLN 16 - HE ARG+ 53 16.667% * 6.1892% (0.98 0.02 0.02) = 6.189% kept HB2 GLN 16 - HE22 GLN 102 16.667% * 6.1583% (0.98 0.02 0.02) = 6.158% kept HB3 GLU- 50 - HE ARG+ 53 16.667% * 2.5959% (0.41 0.02 0.02) = 2.596% kept HB3 GLU- 50 - HE22 GLN 102 16.667% * 2.5829% (0.41 0.02 0.02) = 2.583% kept Not enough support, support cutoff is 0.22 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): 18 chemical-shift based assignments, quality = 0.976, support = 0.967, residual support = 0.915: * O HA2 GLY 114 - HN GLY 114 5.556% * 92.0712% (1.00 10.0 1.00 0.94) = 92.071% kept HA ASN 89 - HN GLY 114 5.556% * 6.2174% (0.90 1.0 0.75 0.84) = 6.217% kept HA HIS+ 4 - HN GLY 114 5.556% * 0.1805% (0.98 1.0 0.02 0.02) = 0.180% HA GLU- 56 - HN GLY 114 5.556% * 0.1805% (0.98 1.0 0.02 0.02) = 0.180% HA LYS+ 108 - HN GLY 114 5.556% * 0.1651% (0.90 1.0 0.02 0.12) = 0.165% HA PRO 59 - HN GLY 114 5.556% * 0.1597% (0.87 1.0 0.02 0.02) = 0.160% HA GLU- 75 - HN GLY 114 5.556% * 0.1538% (0.83 1.0 0.02 0.02) = 0.154% HA ARG+ 84 - HN GLY 114 5.556% * 0.0969% (0.53 1.0 0.02 0.02) = 0.097% HA HIS+ 8 - HN GLY 114 5.556% * 0.0969% (0.53 1.0 0.02 0.02) = 0.097% HA VAL 73 - HN GLY 114 5.556% * 0.0968% (0.52 1.0 0.02 0.02) = 0.097% HA VAL 65 - HN GLY 114 5.556% * 0.0896% (0.49 1.0 0.02 0.02) = 0.090% HA SER 85 - HN GLY 114 5.556% * 0.0757% (0.41 1.0 0.02 0.02) = 0.076% HA PRO 52 - HN GLY 114 5.556% * 0.0757% (0.41 1.0 0.02 0.02) = 0.076% HD3 PRO 59 - HN GLY 114 5.556% * 0.0757% (0.41 1.0 0.02 0.02) = 0.076% HA GLU- 54 - HN GLY 114 5.556% * 0.0757% (0.41 1.0 0.02 0.02) = 0.076% HA ALA 91 - HN GLY 114 5.556% * 0.0691% (0.37 1.0 0.02 0.02) = 0.069% HA SER 49 - HN GLY 114 5.556% * 0.0628% (0.34 1.0 0.02 0.02) = 0.063% HA GLU- 18 - HN GLY 114 5.556% * 0.0568% (0.31 1.0 0.02 0.02) = 0.057% Peak 1011 (4.78, 8.32, 110.11 ppm): 6 chemical-shift based assignments, quality = 0.884, support = 0.967, residual support = 1.02: * O HA LYS+ 113 - HN GLY 114 16.667% * 91.2852% (0.90 10.0 1.00 1.10) = 91.285% kept HA ASP- 115 - HN GLY 114 16.667% * 6.3101% (0.98 1.0 0.63 0.02) = 6.310% kept HA ASN 89 - HN GLY 114 16.667% * 1.9623% (0.26 1.0 0.75 0.84) = 1.962% kept HA ASN 15 - HN GLY 114 16.667% * 0.2036% (1.00 1.0 0.02 0.02) = 0.204% HA PRO 116 - HN GLY 114 16.667% * 0.2031% (1.00 1.0 0.02 0.02) = 0.203% HA VAL 40 - HN GLY 114 16.667% * 0.0357% (0.17 1.0 0.02 0.02) = 0.036% Peak 1012 (3.89, 8.32, 110.11 ppm): 12 chemical-shift based assignments, quality = 0.724, support = 0.506, residual support = 0.388: HA ASN 89 - HN GLY 114 8.333% * 44.8814% (0.93 0.75 0.84) = 44.881% kept HA LYS+ 44 - HN GLY 114 8.333% * 14.9512% (0.76 0.30 0.02) = 14.951% kept HA THR 96 - HN GLY 114 8.333% * 13.1434% (0.45 0.45 0.02) = 13.143% kept HD2 PRO 116 - HN GLY 114 8.333% * 8.9470% (0.80 0.17 0.02) = 8.947% kept HB2 SER 77 - HN GLY 114 8.333% * 8.0676% (0.53 0.24 0.02) = 8.068% kept HB3 SER 88 - HN GLY 114 8.333% * 5.0741% (0.14 0.58 0.02) = 5.074% kept HA VAL 87 - HN GLY 114 8.333% * 1.4492% (0.20 0.11 0.02) = 1.449% kept HD2 PRO 86 - HN GLY 114 8.333% * 1.1191% (0.87 0.02 0.02) = 1.119% kept HA VAL 125 - HN GLY 114 8.333% * 0.9368% (0.73 0.02 0.02) = 0.937% HB2 SER 85 - HN GLY 114 8.333% * 0.5784% (0.45 0.02 0.02) = 0.578% HA ILE 48 - HN GLY 114 8.333% * 0.4304% (0.33 0.02 0.02) = 0.430% HB3 SER 77 - HN GLY 114 8.333% * 0.4216% (0.33 0.02 0.02) = 0.422% Peak 1013 (4.89, 8.32, 110.11 ppm): 7 chemical-shift based assignments, quality = 0.293, support = 0.459, residual support = 0.39: HA ASN 89 - HN GLY 114 14.286% * 45.1547% (0.16 0.75 0.84) = 45.155% kept HA GLN 102 - HN GLY 114 14.286% * 40.6429% (0.37 0.29 0.02) = 40.643% kept HA SER 69 - HN GLY 114 14.286% * 5.0965% (0.69 0.02 0.02) = 5.097% kept HA ILE 19 - HN GLY 114 14.286% * 3.3264% (0.45 0.02 0.02) = 3.326% kept HA ALA 33 - HN GLY 114 14.286% * 2.7846% (0.37 0.02 0.02) = 2.785% kept HA HIS+ 98 - HN GLY 114 14.286% * 1.8501% (0.25 0.02 0.02) = 1.850% kept HA THR 95 - HN GLY 114 14.286% * 1.1448% (0.15 0.02 0.02) = 1.145% kept 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): 19 chemical-shift based assignments, quality = 0.76, support = 1.9, residual support = 1.89: HA ASN 89 - HN GLY 92 5.263% * 70.2028% (0.93 2.50 2.69) = 70.203% kept HA GLU- 18 - HN GLY 92 5.263% * 9.0162% (0.68 0.44 0.02) = 9.016% kept HA VAL 73 - HN GLY 92 5.263% * 8.6532% (0.33 0.88 0.02) = 8.653% kept HA GLU- 64 - HN GLY 92 5.263% * 3.9816% (0.31 0.43 0.02) = 3.982% kept HA LYS+ 44 - HN GLY 92 5.263% * 2.5529% (0.19 0.43 0.02) = 2.553% kept HA GLU- 12 - HN GLY 92 5.263% * 0.5986% (0.99 0.02 0.02) = 0.599% HB3 SER 49 - HN GLY 92 5.263% * 0.5946% (0.99 0.02 0.02) = 0.595% HA LYS+ 110 - HN GLY 92 5.263% * 0.5880% (0.98 0.02 0.02) = 0.588% HA ALA 11 - HN GLY 92 5.263% * 0.5789% (0.96 0.02 0.02) = 0.579% HA ALA 42 - HN GLY 92 5.263% * 0.5789% (0.96 0.02 0.02) = 0.579% HB3 HIS+ 14 - HN GLY 92 5.263% * 0.5380% (0.89 0.02 0.02) = 0.538% HA GLU- 109 - HN GLY 92 5.263% * 0.5011% (0.83 0.02 0.02) = 0.501% HA SER 49 - HN GLY 92 5.263% * 0.3881% (0.64 0.02 0.02) = 0.388% HA ASP- 82 - HN GLY 92 5.263% * 0.3396% (0.56 0.02 0.02) = 0.340% HA GLU- 54 - HN GLY 92 5.263% * 0.3396% (0.56 0.02 0.02) = 0.340% HA HIS+ 8 - HN GLY 92 5.263% * 0.2690% (0.45 0.02 0.02) = 0.269% HA PRO 59 - HN GLY 92 5.263% * 0.1051% (0.17 0.02 0.02) = 0.105% HA LYS+ 108 - HN GLY 92 5.263% * 0.0926% (0.15 0.02 0.02) = 0.093% HA MET 126 - HN GLY 92 5.263% * 0.0812% (0.13 0.02 0.02) = 0.081% Peak 1018 (3.81, 8.47, 109.53 ppm): 9 chemical-shift based assignments, quality = 0.548, support = 2.41, residual support = 7.14: O HA2 GLY 92 - HN GLY 92 11.111% * 78.0670% (0.48 10.0 2.51 8.56) = 78.067% kept HA ASN 89 - HN GLY 92 11.111% * 17.1207% (0.85 1.0 2.50 2.69) = 17.121% kept HD3 PRO 116 - HN GLY 92 11.111% * 2.8258% (0.68 1.0 0.51 0.02) = 2.826% kept HA LYS+ 44 - HN GLY 92 11.111% * 1.3488% (0.39 1.0 0.43 0.02) = 1.349% kept HB3 SER 41 - HN GLY 92 11.111% * 0.1600% (0.99 1.0 0.02 0.02) = 0.160% HA GLU- 45 - HN GLY 92 11.111% * 0.1590% (0.99 1.0 0.02 0.02) = 0.159% HD3 PRO 112 - HN GLY 92 11.111% * 0.1548% (0.96 1.0 0.02 0.02) = 0.155% HA ILE 48 - HN GLY 92 11.111% * 0.1093% (0.68 1.0 0.02 0.02) = 0.109% HA VAL 13 - HN GLY 92 11.111% * 0.0547% (0.34 1.0 0.02 0.02) = 0.055% Peak 1019 (3.96, 8.47, 109.53 ppm): 7 chemical-shift based assignments, quality = 0.591, support = 2.31, residual support = 7.61: O HA1 GLY 92 - HN GLY 92 14.286% * 59.5881% (0.34 10.0 2.51 8.56) = 59.588% kept HA ASN 89 - HN GLY 92 14.286% * 21.3856% (0.97 1.0 2.50 2.69) = 21.386% kept HA ALA 93 - HN GLY 92 14.286% * 14.9682% (0.96 1.0 1.78 12.94) = 14.968% kept HA LYS+ 44 - HN GLY 92 14.286% * 3.7432% (0.98 1.0 0.43 0.02) = 3.743% kept HB3 SER 77 - HN GLY 92 14.286% * 0.1703% (0.97 1.0 0.02 0.02) = 0.170% HA1 GLY 114 - HN GLY 92 14.286% * 0.0850% (0.48 1.0 0.02 0.02) = 0.085% HB THR 95 - HN GLY 92 14.286% * 0.0596% (0.34 1.0 0.02 0.02) = 0.060% Peak 1020 (7.80, 8.47, 109.53 ppm): 5 chemical-shift based assignments, quality = 0.991, support = 2.89, residual support = 12.9: * T HN ALA 93 - HN GLY 92 20.000% * 99.7691% (0.99 10.00 2.89 12.94) = 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): 11 chemical-shift based assignments, quality = 0.831, support = 2.0, residual support = 4.41: * QB ALA 91 - HN GLY 92 9.091% * 67.0458% (0.96 2.73 6.56) = 67.046% kept HG LEU 74 - HN GLY 92 9.091% * 8.6609% (0.54 0.62 0.02) = 8.661% kept HB2 LYS+ 20 - HN GLY 92 9.091% * 7.3280% (0.31 0.93 0.02) = 7.328% kept HG3 LYS+ 20 - HN GLY 92 9.091% * 6.5620% (0.83 0.31 0.02) = 6.562% kept HB3 LYS+ 20 - HN GLY 92 9.091% * 6.4740% (0.60 0.42 0.02) = 6.474% kept HG13 ILE 19 - HN GLY 92 9.091% * 2.4623% (0.99 0.10 0.02) = 2.462% kept HG3 ARG+ 22 - HN GLY 92 9.091% * 0.5081% (0.99 0.02 0.02) = 0.508% HB2 LEU 17 - HN GLY 92 9.091% * 0.2883% (0.56 0.02 0.02) = 0.288% HG2 LYS+ 78 - HN GLY 92 9.091% * 0.2883% (0.56 0.02 0.02) = 0.288% QG2 THR 39 - HN GLY 92 9.091% * 0.1911% (0.37 0.02 0.02) = 0.191% QB ALA 11 - HN GLY 92 9.091% * 0.1911% (0.37 0.02 0.02) = 0.191% Peak 1022 (8.29, 8.47, 109.53 ppm): 9 chemical-shift based assignments, quality = 0.86, support = 2.85, residual support = 5.59: * HN ALA 91 - HN GLY 92 11.111% * 80.1032% (0.92 3.40 6.56) = 80.103% kept HN ASN 89 - HN GLY 92 11.111% * 12.3754% (0.56 0.86 2.69) = 12.375% kept HN HIS+ 8 - HN GLY 92 11.111% * 6.0643% (0.89 0.27 0.02) = 6.064% kept HN LEU 9 - HN GLY 92 11.111% * 0.5056% (0.99 0.02 0.02) = 0.506% HN ASP- 28 - HN GLY 92 11.111% * 0.4709% (0.92 0.02 0.02) = 0.471% HN VAL 99 - HN GLY 92 11.111% * 0.2097% (0.41 0.02 0.02) = 0.210% HN HIS+ 7 - HN GLY 92 11.111% * 0.1136% (0.22 0.02 0.02) = 0.114% HN ASN 76 - HN GLY 92 11.111% * 0.0787% (0.15 0.02 0.02) = 0.079% HN GLN 16 - HN GLY 92 11.111% * 0.0787% (0.15 0.02 0.02) = 0.079% Peak 1023 (4.78, 8.47, 109.53 ppm): 8 chemical-shift based assignments, quality = 0.593, support = 1.54, residual support = 1.43: HA ASN 89 - HN GLY 92 12.500% * 52.9140% (0.26 2.50 2.69) = 52.914% kept HA ASP- 115 - HN GLY 92 12.500% * 41.5936% (0.99 0.51 0.02) = 41.594% kept HA ASN 15 - HN GLY 92 12.500% * 1.6108% (0.99 0.02 0.02) = 1.611% kept HA PRO 116 - HN GLY 92 12.500% * 1.5930% (0.98 0.02 0.02) = 1.593% kept HA LYS+ 113 - HN GLY 92 12.500% * 1.3575% (0.83 0.02 0.02) = 1.357% kept HA VAL 40 - HN GLY 92 12.500% * 0.3618% (0.22 0.02 0.02) = 0.362% HA MET 118 - HN GLY 92 12.500% * 0.2846% (0.17 0.02 0.02) = 0.285% HA HIS+ 5 - HN GLY 92 12.500% * 0.2846% (0.17 0.02 0.02) = 0.285% 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): 14 chemical-shift based assignments, quality = 0.897, support = 2.48, residual support = 4.83: * O HA1 GLY 26 - HN GLY 26 7.143% * 52.8866% (0.99 10.0 2.51 4.87) = 52.887% kept O HA2 GLY 26 - HN GLY 26 7.143% * 42.4425% (0.80 10.0 2.51 4.87) = 42.443% kept HA ASN 89 - HN GLY 26 7.143% * 4.2854% (0.79 1.0 2.03 4.26) = 4.285% kept HA HIS+ 3 - HN GLY 26 7.143% * 0.0525% (0.99 1.0 0.02 0.02) = 0.053% HA VAL 73 - HN GLY 26 7.143% * 0.0525% (0.99 1.0 0.02 0.02) = 0.052% HA MET 1 - HN GLY 26 7.143% * 0.0512% (0.96 1.0 0.02 0.02) = 0.051% HA LYS+ 117 - HN GLY 26 7.143% * 0.0475% (0.89 1.0 0.02 0.02) = 0.048% HB THR 61 - HN GLY 26 7.143% * 0.0364% (0.68 1.0 0.02 0.02) = 0.036% HB3 HIS+ 4 - HN GLY 26 7.143% * 0.0364% (0.68 1.0 0.02 0.02) = 0.036% HA VAL 94 - HN GLY 26 7.143% * 0.0321% (0.60 1.0 0.02 0.02) = 0.032% HA THR 38 - HN GLY 26 7.143% * 0.0258% (0.48 1.0 0.02 0.02) = 0.026% HA LYS+ 60 - HN GLY 26 7.143% * 0.0199% (0.37 1.0 0.02 0.02) = 0.020% HA ALA 37 - HN GLY 26 7.143% * 0.0164% (0.31 1.0 0.02 0.02) = 0.016% HA ASN 57 - HN GLY 26 7.143% * 0.0147% (0.28 1.0 0.02 0.02) = 0.015% Peak 1029 (3.52, 8.12, 108.56 ppm): 4 chemical-shift based assignments, quality = 0.465, support = 1.63, residual support = 3.2: HA ASN 89 - HN GLY 26 25.000% * 74.9433% (0.48 2.03 4.26) = 74.943% kept HA ILE 48 - HN GLY 26 25.000% * 18.2928% (0.48 0.49 0.02) = 18.293% kept HB3 SER 69 - HN GLY 26 25.000% * 5.9370% (0.34 0.23 0.02) = 5.937% kept HA1 GLY 30 - HN GLY 26 25.000% * 0.8268% (0.13 0.08 0.02) = 0.827% Peak 1030 (7.60, 8.12, 108.56 ppm): 5 chemical-shift based assignments, quality = 0.902, support = 2.69, residual support = 7.25: * T HN ASP- 25 - HN GLY 26 20.000% * 98.2263% (0.92 10.00 2.74 7.38) = 98.226% kept HD21 ASN 15 - HN GLY 26 20.000% * 0.5310% (0.64 1.00 0.15 0.02) = 0.531% T HN LYS+ 78 - HN GLY 26 20.000% * 0.5179% (0.48 10.00 0.02 0.02) = 0.518% HD21 ASN 57 - HN GLY 26 20.000% * 0.4397% (0.52 1.00 0.16 0.02) = 0.440% HE22 GLN 16 - HN GLY 26 20.000% * 0.2851% (0.31 1.00 0.17 0.02) = 0.285% Peak 1031 (7.99, 8.12, 108.56 ppm): 4 chemical-shift based assignments, quality = 0.3, support = 2.48, residual support = 5.04: * HN SER 27 - HN GLY 26 25.000% * 94.9053% (0.28 2.61 5.31) = 94.905% kept HN LEU 43 - HN GLY 26 25.000% * 2.4713% (0.94 0.02 0.02) = 2.471% kept HN MET 126 - HN GLY 26 25.000% * 1.8970% (0.72 0.02 0.02) = 1.897% kept HN LYS+ 111 - HN GLY 26 25.000% * 0.7264% (0.28 0.02 0.02) = 0.726% Peak 1032 (4.58, 8.12, 108.56 ppm): 5 chemical-shift based assignments, quality = 0.843, support = 2.37, residual support = 7.11: * O HA ASP- 25 - HN GLY 26 20.000% * 93.1404% (0.86 10.0 2.42 7.38) = 93.140% kept HA ASN 89 - HN GLY 26 20.000% * 5.3792% (0.49 1.0 2.03 4.26) = 5.379% kept HA LEU 9 - HN GLY 26 20.000% * 1.3676% (0.96 1.0 0.26 0.02) = 1.368% kept HA LYS+ 72 - HN GLY 26 20.000% * 0.0860% (0.80 1.0 0.02 0.02) = 0.086% HA HIS+ 6 - HN GLY 26 20.000% * 0.0268% (0.25 1.0 0.02 0.02) = 0.027% Peak 1033 (1.57, 8.12, 108.56 ppm): 10 chemical-shift based assignments, quality = 0.654, support = 0.811, residual support = 0.152: QG2 THR 24 - HN GLY 26 10.000% * 48.2666% (0.56 1.31 0.29) = 48.267% kept HD3 LYS+ 60 - HN GLY 26 10.000% * 19.0892% (0.99 0.29 0.02) = 19.089% kept HB3 LEU 90 - HN GLY 26 10.000% * 15.0658% (0.80 0.29 0.02) = 15.066% kept HB3 LEU 23 - HN GLY 26 10.000% * 11.4189% (0.25 0.70 0.02) = 11.419% kept HG LEU 17 - HN GLY 26 10.000% * 1.2791% (0.98 0.02 0.02) = 1.279% kept HB ILE 19 - HN GLY 26 10.000% * 1.2594% (0.96 0.02 0.02) = 1.259% kept HG3 LYS+ 60 - HN GLY 26 10.000% * 1.2345% (0.94 0.02 0.02) = 1.234% kept HB3 LEU 9 - HN GLY 26 10.000% * 1.0449% (0.80 0.02 0.02) = 1.045% kept HG13 ILE 29 - HN GLY 26 10.000% * 0.8964% (0.68 0.02 0.02) = 0.896% HB3 LYS+ 32 - HN GLY 26 10.000% * 0.4451% (0.34 0.02 0.02) = 0.445% Peak 1034 (4.08, 8.12, 108.56 ppm): 7 chemical-shift based assignments, quality = 0.956, support = 1.86, residual support = 3.88: HA ASN 89 - HN GLY 26 14.286% * 91.0240% (0.99 2.03 4.26) = 91.024% kept HB2 SER 49 - HN GLY 26 14.286% * 3.1616% (0.68 0.10 0.02) = 3.162% kept HA LYS+ 44 - HN GLY 26 14.286% * 2.7864% (0.77 0.08 0.02) = 2.786% kept HA ALA 70 - HN GLY 26 14.286% * 1.7717% (0.45 0.09 0.02) = 1.772% kept HA LYS+ 63 - HN GLY 26 14.286% * 0.8954% (0.99 0.02 0.02) = 0.895% HB3 SER 77 - HN GLY 26 14.286% * 0.2038% (0.23 0.02 0.02) = 0.204% HA VAL 105 - HN GLY 26 14.286% * 0.1572% (0.17 0.02 0.02) = 0.157% 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 = 4.29, residual support = 11.9: * T HN LYS+ 60 - HN THR 61 33.333% * 95.7811% (0.83 10.00 4.44 12.44) = 95.781% kept HN ASN 57 - HN THR 61 33.333% * 4.1065% (1.00 1.00 0.72 0.02) = 4.107% kept HN LYS+ 32 - HN THR 61 33.333% * 0.1124% (0.98 1.00 0.02 0.02) = 0.112% Peak 1037 (1.84, 7.43, 108.50 ppm): 10 chemical-shift based assignments, quality = 0.914, support = 1.68, residual support = 0.769: HB2 LYS+ 66 - HN THR 61 10.000% * 31.3783% (0.98 1.90 0.72) = 31.378% kept HB2 PRO 59 - HN THR 61 10.000% * 30.9726% (0.92 1.99 0.96) = 30.973% kept HB3 PRO 59 - HN THR 61 10.000% * 25.3795% (1.00 1.51 0.96) = 25.380% kept HB3 LYS+ 72 - HN THR 61 10.000% * 9.8939% (0.69 0.86 0.02) = 9.894% kept HB VAL 73 - HN THR 61 10.000% * 0.9119% (0.61 0.09 0.02) = 0.912% HD3 LYS+ 117 - HN THR 61 10.000% * 0.7318% (0.49 0.09 0.02) = 0.732% HG3 PRO 112 - HN THR 61 10.000% * 0.3356% (1.00 0.02 0.02) = 0.336% HB2 PRO 104 - HN THR 61 10.000% * 0.2176% (0.65 0.02 0.02) = 0.218% HD3 LYS+ 72 - HN THR 61 10.000% * 0.1038% (0.31 0.02 0.02) = 0.104% HB2 GLU- 109 - HN THR 61 10.000% * 0.0749% (0.22 0.02 0.02) = 0.075% Peak 1038 (1.10, 7.43, 108.50 ppm): 8 chemical-shift based assignments, quality = 0.974, support = 2.64, residual support = 13.9: * QG2 THR 61 - HN THR 61 12.500% * 85.9346% (0.99 3.02 16.14) = 85.935% kept HG LEU 74 - HN THR 61 12.500% * 11.4585% (0.99 0.40 0.36) = 11.458% kept QG2 THR 96 - HN THR 61 12.500% * 1.6440% (0.57 0.10 0.02) = 1.644% kept QG2 THR 79 - HN THR 61 12.500% * 0.4801% (0.83 0.02 0.02) = 0.480% QG2 THR 95 - HN THR 61 12.500% * 0.1774% (0.31 0.02 0.02) = 0.177% HD3 LYS+ 111 - HN THR 61 12.500% * 0.1280% (0.22 0.02 0.02) = 0.128% QB ALA 33 - HN THR 61 12.500% * 0.0887% (0.15 0.02 0.02) = 0.089% HG3 LYS+ 32 - HN THR 61 12.500% * 0.0887% (0.15 0.02 0.02) = 0.089% Peak 1039 (2.02, 7.43, 108.50 ppm): 17 chemical-shift based assignments, quality = 0.471, support = 0.906, residual support = 4.96: HB VAL 62 - HN THR 61 5.882% * 41.9163% (0.31 1.67 11.80) = 41.916% kept HG2 PRO 86 - HN THR 61 5.882% * 20.9167% (0.65 0.40 0.02) = 20.917% kept HG3 PRO 86 - HN THR 61 5.882% * 17.2339% (0.31 0.69 0.02) = 17.234% kept HB3 GLU- 75 - HN THR 61 5.882% * 3.0380% (0.42 0.09 0.02) = 3.038% kept HB2 PRO 112 - HN THR 61 5.882% * 1.6280% (1.00 0.02 0.02) = 1.628% kept HB3 PRO 112 - HN THR 61 5.882% * 1.6136% (0.99 0.02 0.02) = 1.614% kept HG2 PRO 116 - HN THR 61 5.882% * 1.5958% (0.98 0.02 0.02) = 1.596% kept HB2 LYS+ 44 - HN THR 61 5.882% * 1.5958% (0.98 0.02 0.02) = 1.596% kept HB3 PRO 31 - HN THR 61 5.882% * 1.5958% (0.98 0.02 0.02) = 1.596% kept HG2 GLU- 64 - HN THR 61 5.882% * 1.4601% (0.90 0.02 0.02) = 1.460% kept HB2 GLU- 18 - HN THR 61 5.882% * 1.3598% (0.83 0.02 0.02) = 1.360% kept HB3 GLU- 45 - HN THR 61 5.882% * 1.3598% (0.83 0.02 0.02) = 1.360% kept HB VAL 105 - HN THR 61 5.882% * 1.2442% (0.76 0.02 0.02) = 1.244% kept HB2 HIS+ 14 - HN THR 61 5.882% * 1.1822% (0.73 0.02 0.02) = 1.182% kept HB3 GLU- 107 - HN THR 61 5.882% * 1.1183% (0.69 0.02 0.02) = 1.118% kept HB3 LYS+ 110 - HN THR 61 5.882% * 0.8565% (0.53 0.02 0.02) = 0.857% HB3 GLU- 10 - HN THR 61 5.882% * 0.2851% (0.17 0.02 0.02) = 0.285% Peak 1040 (4.33, 7.43, 108.50 ppm): 9 chemical-shift based assignments, quality = 0.685, support = 3.75, residual support = 15.4: * O HB THR 61 - HN THR 61 11.111% * 95.2480% (0.69 10.0 3.91 16.14) = 95.248% kept HA ASN 89 - HN THR 61 11.111% * 3.7888% (0.83 1.0 0.66 0.02) = 3.789% kept HA VAL 73 - HN THR 61 11.111% * 0.5726% (0.92 1.0 0.09 0.02) = 0.573% HA PRO 112 - HN THR 61 11.111% * 0.1110% (0.80 1.0 0.02 0.02) = 0.111% HA VAL 94 - HN THR 61 11.111% * 0.1060% (0.76 1.0 0.02 0.02) = 0.106% HA ILE 29 - HN THR 61 11.111% * 0.0730% (0.53 1.0 0.02 0.02) = 0.073% HA HIS+ 3 - HN THR 61 11.111% * 0.0386% (0.28 1.0 0.02 0.02) = 0.039% HA PRO 104 - HN THR 61 11.111% * 0.0346% (0.25 1.0 0.02 0.02) = 0.035% HA1 GLY 26 - HN THR 61 11.111% * 0.0274% (0.20 1.0 0.02 0.02) = 0.027% Peak 1041 (4.68, 7.43, 108.50 ppm): 7 chemical-shift based assignments, quality = 0.968, support = 2.81, residual support = 15.9: * O HA THR 61 - HN THR 61 14.286% * 98.4707% (0.98 10.0 2.85 16.14) = 98.471% kept HA ASN 89 - HN THR 61 14.286% * 1.2022% (0.36 1.0 0.66 0.02) = 1.202% kept HA ASN 119 - HN THR 61 14.286% * 0.1005% (1.00 1.0 0.02 0.02) = 0.100% HA GLN 16 - HN THR 61 14.286% * 0.0970% (0.96 1.0 0.02 0.02) = 0.097% HA TYR 83 - HN THR 61 14.286% * 0.0768% (0.76 1.0 0.02 0.02) = 0.077% HA ASP- 36 - HN THR 61 14.286% * 0.0279% (0.28 1.0 0.02 0.02) = 0.028% HA LYS+ 120 - HN THR 61 14.286% * 0.0250% (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 = 0.791, support = 0.578, residual support = 0.113: HB2 PRO 86 - HN THR 61 25.000% * 50.0363% (1.00 0.69 0.02) = 50.036% kept HA1 GLY 58 - HN THR 61 25.000% * 24.4985% (0.50 0.67 0.40) = 24.498% kept HG3 GLU- 64 - HN THR 61 25.000% * 16.0016% (0.80 0.27 0.02) = 16.002% kept HB3 PRO 86 - HN THR 61 25.000% * 9.4637% (0.45 0.29 0.02) = 9.464% kept Peak 1043 (1.45, 7.43, 108.50 ppm): 7 chemical-shift based assignments, quality = 0.473, support = 1.92, residual support = 10.3: * HB3 LYS+ 60 - HN THR 61 14.286% * 82.8072% (0.49 2.27 12.44) = 82.807% kept HG LEU 74 - HN THR 61 14.286% * 8.9981% (0.30 0.40 0.36) = 8.998% kept HB3 LEU 67 - HN THR 61 14.286% * 6.2931% (0.69 0.12 0.02) = 6.293% kept HG LEU 90 - HN THR 61 14.286% * 0.8486% (0.57 0.02 0.02) = 0.849% HG3 LYS+ 55 - HN THR 61 14.286% * 0.4167% (0.28 0.02 0.02) = 0.417% HD3 LYS+ 113 - HN THR 61 14.286% * 0.3738% (0.25 0.02 0.02) = 0.374% QB ALA 70 - HN THR 61 14.286% * 0.2625% (0.17 0.02 0.02) = 0.263% Peak 1044 (0.37, 7.43, 108.50 ppm): 3 chemical-shift based assignments, quality = 0.643, support = 1.67, residual support = 4.36: HG13 ILE 48 - HN THR 61 33.333% * 52.5798% (1.00 1.16 4.36) = 52.580% kept QD1 ILE 48 - HN THR 61 33.333% * 29.6827% (0.25 2.63 4.36) = 29.683% kept HG12 ILE 48 - HN THR 61 33.333% * 17.7375% (0.25 1.57 4.36) = 17.738% 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): 7 chemical-shift based assignments, quality = 0.826, support = 2.99, residual support = 8.69: * O HA THR 79 - HN THR 79 14.286% * 70.7202% (1.00 10.0 2.52 3.28) = 70.720% kept O HA LYS+ 78 - HN THR 79 14.286% * 29.0739% (0.41 10.0 4.14 21.93) = 29.074% kept HA LEU 17 - HN THR 79 14.286% * 0.0706% (1.00 1.0 0.02 0.02) = 0.071% HA GLU- 10 - HN THR 79 14.286% * 0.0591% (0.83 1.0 0.02 0.02) = 0.059% HA ASN 89 - HN THR 79 14.286% * 0.0379% (0.54 1.0 0.02 0.02) = 0.038% HA LYS+ 72 - HN THR 79 14.286% * 0.0241% (0.34 1.0 0.02 0.02) = 0.024% HA VAL 73 - HN THR 79 14.286% * 0.0142% (0.20 1.0 0.02 0.02) = 0.014% Peak 1052 (2.14, 9.03, 108.30 ppm): 8 chemical-shift based assignments, quality = 0.882, support = 4.05, residual support = 20.8: * HB3 LYS+ 78 - HN THR 79 12.500% * 94.9322% (0.90 4.27 21.93) = 94.932% kept HB2 ASP- 28 - HN THR 79 12.500% * 1.9393% (0.94 0.08 0.02) = 1.939% kept HB3 GLU- 75 - HN THR 79 12.500% * 1.8148% (0.73 0.10 0.02) = 1.815% kept HG3 GLN 102 - HN THR 79 12.500% * 0.4963% (1.00 0.02 0.02) = 0.496% HB VAL 47 - HN THR 79 12.500% * 0.4695% (0.94 0.02 0.02) = 0.469% HG2 PRO 104 - HN THR 79 12.500% * 0.1532% (0.31 0.02 0.02) = 0.153% HA1 GLY 58 - HN THR 79 12.500% * 0.1182% (0.24 0.02 0.02) = 0.118% HG3 GLN 16 - HN THR 79 12.500% * 0.0766% (0.15 0.02 0.02) = 0.077% Peak 1053 (2.36, 9.03, 108.30 ppm): 5 chemical-shift based assignments, quality = 0.26, support = 4.8, residual support = 21.0: HB2 LYS+ 78 - HN THR 79 20.000% * 95.7609% (0.25 5.01 21.93) = 95.761% kept HB2 CYS 121 - HN THR 79 20.000% * 1.4147% (0.92 0.02 0.02) = 1.415% kept HG3 GLU- 50 - HN THR 79 20.000% * 1.1129% (0.73 0.02 0.02) = 1.113% kept HA1 GLY 58 - HN THR 79 20.000% * 0.9655% (0.63 0.02 0.02) = 0.965% HB2 HIS+ 3 - HN THR 79 20.000% * 0.7460% (0.49 0.02 0.02) = 0.746% Peak 1054 (1.62, 9.03, 108.30 ppm): 10 chemical-shift based assignments, quality = 0.959, support = 3.86, residual support = 21.2: * HG3 LYS+ 78 - HN THR 79 10.000% * 96.8588% (0.99 3.98 21.93) = 96.859% kept HG2 LYS+ 110 - HN THR 79 10.000% * 0.4401% (0.90 0.02 0.02) = 0.440% HG3 LYS+ 110 - HN THR 79 10.000% * 0.4257% (0.87 0.02 0.02) = 0.426% HB ILE 100 - HN THR 79 10.000% * 0.3930% (0.80 0.02 0.02) = 0.393% HG12 ILE 101 - HN THR 79 10.000% * 0.3930% (0.80 0.02 0.02) = 0.393% HB2 LEU 67 - HN THR 79 10.000% * 0.3930% (0.80 0.02 0.02) = 0.393% HB3 LEU 17 - HN THR 79 10.000% * 0.3564% (0.73 0.02 0.02) = 0.356% HG LEU 23 - HN THR 79 10.000% * 0.3564% (0.73 0.02 0.02) = 0.356% HD3 LYS+ 32 - HN THR 79 10.000% * 0.2977% (0.61 0.02 0.02) = 0.298% HB3 LYS+ 32 - HN THR 79 10.000% * 0.0860% (0.17 0.02 0.02) = 0.086% Peak 1055 (7.54, 9.03, 108.30 ppm): 3 chemical-shift based assignments, quality = 0.578, support = 0.02, residual support = 0.994: T HN ASP- 82 - HN THR 79 33.333% * 91.6018% (0.61 10.00 0.02 1.08) = 91.602% kept HD22 ASN 119 - HN THR 79 33.333% * 4.1991% (0.28 1.00 0.02 0.02) = 4.199% kept HN VAL 65 - HN THR 79 33.333% * 4.1991% (0.28 1.00 0.02 0.02) = 4.199% kept Reference assignment not found: HN LYS+ 78 - HN THR 79 Not enough support, support cutoff is 0.22 Peak unassigned. Peak 1056 (1.10, 9.03, 108.30 ppm): 5 chemical-shift based assignments, quality = 0.936, support = 2.23, residual support = 2.97: * QG2 THR 79 - HN THR 79 20.000% * 90.4299% (0.94 2.46 3.28) = 90.430% kept HG LEU 74 - HN THR 79 20.000% * 5.0194% (0.99 0.13 0.02) = 5.019% kept QG2 THR 61 - HN THR 79 20.000% * 2.8072% (0.92 0.08 0.02) = 2.807% kept QG2 THR 95 - HN THR 79 20.000% * 1.4240% (0.45 0.08 0.02) = 1.424% kept QG2 THR 96 - HN THR 79 20.000% * 0.3195% (0.41 0.02 0.02) = 0.320% Peak 1057 (1.36, 9.03, 108.30 ppm): 11 chemical-shift based assignments, quality = 0.686, support = 3.82, residual support = 19.4: HG2 LYS+ 78 - HN THR 79 9.091% * 88.2156% (0.73 4.30 21.93) = 88.216% kept QG2 THR 39 - HN THR 79 9.091% * 6.7382% (0.53 0.45 0.22) = 6.738% kept HG LEU 74 - HN THR 79 9.091% * 1.9759% (0.54 0.13 0.02) = 1.976% kept QB ALA 91 - HN THR 79 9.091% * 0.5655% (1.00 0.02 0.02) = 0.566% HG3 ARG+ 22 - HN THR 79 9.091% * 0.5350% (0.94 0.02 0.02) = 0.535% HG13 ILE 19 - HN THR 79 9.091% * 0.5220% (0.92 0.02 0.02) = 0.522% HB3 LYS+ 20 - HN THR 79 9.091% * 0.4322% (0.76 0.02 0.02) = 0.432% HG3 LYS+ 20 - HN THR 79 9.091% * 0.3885% (0.69 0.02 0.02) = 0.388% HB2 LYS+ 20 - HN THR 79 9.091% * 0.2535% (0.45 0.02 0.02) = 0.254% HB2 LEU 17 - HN THR 79 9.091% * 0.2325% (0.41 0.02 0.02) = 0.232% QB ALA 11 - HN THR 79 9.091% * 0.1410% (0.25 0.02 0.02) = 0.141% 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 = 0.431, support = 2.72, residual support = 9.65: O HA1 GLY 58 - HN GLY 58 6.667% * 76.4834% (0.34 10.0 2.86 11.87) = 76.483% kept HB2 GLU- 50 - HN GLY 58 6.667% * 21.8087% (0.79 1.0 2.43 2.60) = 21.809% kept HG3 GLU- 54 - HN GLY 58 6.667% * 0.2160% (0.95 1.0 0.02 0.02) = 0.216% HG3 MET 126 - HN GLY 58 6.667% * 0.2118% (0.94 1.0 0.02 0.02) = 0.212% HG3 GLU- 109 - HN GLY 58 6.667% * 0.2008% (0.89 1.0 0.02 0.02) = 0.201% HB2 LYS+ 113 - HN GLY 58 6.667% * 0.1942% (0.86 1.0 0.02 0.02) = 0.194% HG3 GLU- 107 - HN GLY 58 6.667% * 0.1711% (0.76 1.0 0.02 0.02) = 0.171% HG3 GLU- 18 - HN GLY 58 6.667% * 0.1626% (0.72 1.0 0.02 0.02) = 0.163% HG2 MET 126 - HN GLY 58 6.667% * 0.1538% (0.68 1.0 0.02 0.02) = 0.154% HG3 MET 118 - HN GLY 58 6.667% * 0.1267% (0.56 1.0 0.02 0.02) = 0.127% HB3 PRO 52 - HN GLY 58 6.667% * 0.1004% (0.44 1.0 0.02 0.02) = 0.100% HG3 GLU- 75 - HN GLY 58 6.667% * 0.0558% (0.25 1.0 0.02 0.02) = 0.056% HB3 PRO 104 - HN GLY 58 6.667% * 0.0443% (0.20 1.0 0.02 4.03) = 0.044% HG2 GLN 16 - HN GLY 58 6.667% * 0.0392% (0.17 1.0 0.02 0.59) = 0.039% HB3 GLU- 75 - HN GLY 58 6.667% * 0.0314% (0.14 1.0 0.02 0.02) = 0.031% Peak 1062 (2.78, 8.24, 106.55 ppm): 8 chemical-shift based assignments, quality = 0.79, support = 2.41, residual support = 11.8: O HA1 GLY 58 - HN GLY 58 12.500% * 65.5803% (0.89 10.0 2.86 11.87) = 65.580% kept O HA2 GLY 58 - HN GLY 58 12.500% * 24.5563% (0.48 10.0 1.38 11.87) = 24.556% kept * HB3 ASN 57 - HN GLY 58 12.500% * 8.1271% (0.99 1.0 2.23 13.52) = 8.127% kept HB3 ASN 15 - HN GLY 58 12.500% * 1.5505% (0.56 1.0 0.75 0.17) = 1.550% kept HB2 ASN 119 - HN GLY 58 12.500% * 0.0730% (0.99 1.0 0.02 0.02) = 0.073% HB3 ASN 89 - HN GLY 58 12.500% * 0.0691% (0.94 1.0 0.02 0.02) = 0.069% HE3 LYS+ 32 - HN GLY 58 12.500% * 0.0274% (0.37 1.0 0.02 0.66) = 0.027% HE3 LYS+ 111 - HN GLY 58 12.500% * 0.0163% (0.22 1.0 0.02 0.02) = 0.016% Peak 1063 (4.38, 8.24, 106.55 ppm): 14 chemical-shift based assignments, quality = 0.978, support = 1.83, residual support = 13.0: * O HA ASN 57 - HN GLY 58 7.143% * 95.2850% (0.99 10.0 1.90 13.52) = 95.285% kept HA TRP 51 - HN GLY 58 7.143% * 2.5351% (0.94 1.0 0.53 3.79) = 2.535% kept HA LYS+ 60 - HN GLY 58 7.143% * 1.4813% (0.95 1.0 0.31 0.15) = 1.481% kept HA VAL 73 - HN GLY 58 7.143% * 0.0997% (0.98 1.0 0.02 0.02) = 0.100% HA ALA 37 - HN GLY 58 7.143% * 0.0994% (0.98 1.0 0.02 0.02) = 0.099% HA THR 38 - HN GLY 58 7.143% * 0.0900% (0.89 1.0 0.02 0.02) = 0.090% HA ASN 89 - HN GLY 58 7.143% * 0.0767% (0.76 1.0 0.02 0.02) = 0.077% HB3 HIS+ 4 - HN GLY 58 7.143% * 0.0728% (0.72 1.0 0.02 2.52) = 0.073% HA SER 88 - HN GLY 58 7.143% * 0.0649% (0.64 1.0 0.02 0.02) = 0.065% HA2 GLY 26 - HN GLY 58 7.143% * 0.0608% (0.60 1.0 0.02 0.02) = 0.061% HA LYS+ 117 - HN GLY 58 7.143% * 0.0488% (0.48 1.0 0.02 0.02) = 0.049% HA MET 1 - HN GLY 58 7.143% * 0.0376% (0.37 1.0 0.02 0.02) = 0.038% HA1 GLY 26 - HN GLY 58 7.143% * 0.0279% (0.27 1.0 0.02 0.02) = 0.028% HA HIS+ 3 - HN GLY 58 7.143% * 0.0199% (0.20 1.0 0.02 0.02) = 0.020% Peak 1064 (8.81, 8.24, 106.55 ppm): 4 chemical-shift based assignments, quality = 0.895, support = 2.59, residual support = 13.0: * T HN ASN 57 - HN GLY 58 25.000% * 96.1069% (0.91 10.00 2.66 13.52) = 96.107% kept HN LYS+ 60 - HN GLY 58 25.000% * 2.8992% (0.60 1.00 0.92 0.15) = 2.899% kept HN LYS+ 32 - HN GLY 58 25.000% * 0.9680% (0.83 1.00 0.22 0.66) = 0.968% 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): 6 chemical-shift based assignments, quality = 0.907, support = 0.945, residual support = 2.23: HB3 GLU- 50 - HN GLY 58 16.667% * 82.2043% (0.97 1.09 2.60) = 82.204% kept HB2 GLN 16 - HN GLY 58 16.667% * 15.6258% (0.64 0.31 0.59) = 15.626% kept HB ILE 48 - HN GLY 58 16.667% * 1.2853% (0.83 0.02 0.02) = 1.285% kept HB VAL 94 - HN GLY 58 16.667% * 0.3426% (0.22 0.02 0.02) = 0.343% HB2 HIS+ 7 - HN GLY 58 16.667% * 0.3045% (0.20 0.02 0.02) = 0.305% HB2 ARG+ 84 - HN GLY 58 16.667% * 0.2374% (0.15 0.02 0.10) = 0.237% Peak 1066 (9.49, 8.24, 106.55 ppm): 3 chemical-shift based assignments, quality = 0.756, support = 2.48, residual support = 3.74: HE1 TRP 51 - HN GLY 58 33.333% * 98.7166% (0.76 2.51 3.79) = 98.717% kept HN ALA 70 - HN GLY 58 33.333% * 1.0268% (0.99 0.02 0.02) = 1.027% kept HN HIS+ 98 - HN GLY 58 33.333% * 0.2566% (0.25 0.02 0.02) = 0.257% Peak 1067 (2.90, 8.24, 106.55 ppm): 4 chemical-shift based assignments, quality = 0.706, support = 2.76, residual support = 11.3: O HA1 GLY 58 - HN GLY 58 25.000% * 95.4935% (0.69 10.0 2.86 11.87) = 95.494% kept HB2 HIS+ 98 - HN GLY 58 25.000% * 4.4642% (0.99 1.0 0.65 0.02) = 4.464% 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% * 0.0184% (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): 9 chemical-shift based assignments, quality = 0.496, support = 2.76, residual support = 10.0: O HA1 GLY 71 - HN GLY 71 11.111% * 77.3549% (0.41 10.0 3.13 12.66) = 77.355% kept HA VAL 62 - HN GLY 71 11.111% * 13.5614% (0.94 1.0 1.52 0.92) = 13.561% kept HB2 SER 69 - HN GLY 71 11.111% * 8.5392% (0.60 1.0 1.50 1.19) = 8.539% kept HA VAL 80 - HN GLY 71 11.111% * 0.1632% (0.86 1.0 0.02 0.02) = 0.163% HB THR 79 - HN GLY 71 11.111% * 0.1217% (0.64 1.0 0.02 0.02) = 0.122% HA THR 39 - HN GLY 71 11.111% * 0.0774% (0.41 1.0 0.02 0.02) = 0.077% HA ASN 89 - HN GLY 71 11.111% * 0.0720% (0.38 1.0 0.02 0.02) = 0.072% HD3 PRO 31 - HN GLY 71 11.111% * 0.0706% (0.37 1.0 0.02 0.02) = 0.071% HA ILE 48 - HN GLY 71 11.111% * 0.0395% (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): 9 chemical-shift based assignments, quality = 0.858, support = 2.94, residual support = 16.2: * O HA ALA 70 - HN GLY 71 11.111% * 99.4248% (0.86 10.0 2.95 16.28) = 99.425% kept HA VAL 105 - HN GLY 71 11.111% * 0.1144% (0.99 1.0 0.02 0.02) = 0.114% HA ASN 89 - HN GLY 71 11.111% * 0.1140% (0.99 1.0 0.02 0.02) = 0.114% HA THR 46 - HN GLY 71 11.111% * 0.0994% (0.86 1.0 0.02 0.02) = 0.099% HA LYS+ 44 - HN GLY 71 11.111% * 0.0752% (0.65 1.0 0.02 0.14) = 0.075% HB THR 106 - HN GLY 71 11.111% * 0.0741% (0.64 1.0 0.02 0.02) = 0.074% HA ARG+ 53 - HN GLY 71 11.111% * 0.0603% (0.52 1.0 0.02 0.02) = 0.060% HA LYS+ 63 - HN GLY 71 11.111% * 0.0201% (0.17 1.0 0.02 0.02) = 0.020% HD2 PRO 59 - HN GLY 71 11.111% * 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 = 0.447, support = 1.53, residual support = 1.22: QG1 VAL 62 - HN GLY 71 25.000% * 39.4119% (0.76 1.04 0.92) = 39.412% kept HG12 ILE 19 - HN GLY 71 25.000% * 27.9635% (0.28 2.03 1.67) = 27.963% kept QD1 ILE 19 - HN GLY 71 25.000% * 20.5290% (0.20 2.09 1.67) = 20.529% kept QG2 VAL 94 - HN GLY 71 25.000% * 12.0956% (0.25 0.98 0.35) = 12.096% kept Peak 1075 (1.47, 8.37, 103.40 ppm): 3 chemical-shift based assignments, quality = 0.637, support = 3.79, residual support = 16.1: QB ALA 70 - HN GLY 71 33.333% * 98.9869% (0.64 3.83 16.28) = 98.987% kept HB3 LEU 67 - HN GLY 71 33.333% * 0.7978% (0.99 0.02 0.02) = 0.798% HG LEU 74 - HN GLY 71 33.333% * 0.2153% (0.27 0.02 0.02) = 0.215% Peak 1076 (7.96, 8.37, 103.40 ppm): 2 chemical-shift based assignments, quality = 0.936, support = 3.82, residual support = 12.5: * HN LYS+ 72 - HN GLY 71 50.000% * 96.5723% (0.96 3.93 12.94) = 96.572% kept HN LEU 43 - HN GLY 71 50.000% * 3.4277% (0.25 0.54 0.49) = 3.428% kept Peak 1077 (9.50, 8.37, 103.40 ppm): 2 chemical-shift based assignments, quality = 0.936, support = 3.44, residual support = 16.2: * HN ALA 70 - HN GLY 71 50.000% * 99.4253% (0.94 3.46 16.28) = 99.425% kept HE1 TRP 51 - HN GLY 71 50.000% * 0.5747% (0.94 0.02 0.02) = 0.575% Peak 1078 (4.90, 8.37, 103.40 ppm): 6 chemical-shift based assignments, quality = 0.434, support = 1.41, residual support = 1.08: HA SER 69 - HN GLY 71 16.667% * 70.9104% (0.45 1.81 1.19) = 70.910% kept HA ILE 19 - HN GLY 71 16.667% * 14.3777% (0.25 0.66 1.67) = 14.378% kept HA GLN 102 - HN GLY 71 16.667% * 12.5956% (0.60 0.24 0.02) = 12.596% kept HA ALA 33 - HN GLY 71 16.667% * 1.0576% (0.60 0.02 0.02) = 1.058% kept HA HIS+ 98 - HN GLY 71 16.667% * 0.7817% (0.45 0.02 0.02) = 0.782% HA ASN 89 - HN GLY 71 16.667% * 0.2770% (0.16 0.02 0.02) = 0.277% 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): 6 chemical-shift based assignments, quality = 0.908, support = 1.34, residual support = 0.586: HA PRO 116 - HN THR 24 16.667% * 29.1235% (0.97 1.59 0.74) = 29.123% kept HA ASP- 115 - HN THR 24 16.667% * 25.4848% (0.90 1.49 0.58) = 25.485% kept HA ASN 15 - HN THR 24 16.667% * 22.8228% (0.96 1.26 0.49) = 22.823% kept HA LYS+ 113 - HN THR 24 16.667% * 17.3530% (0.95 0.97 0.43) = 17.353% kept HA ASN 89 - HN THR 24 16.667% * 4.3511% (0.25 0.92 0.84) = 4.351% kept HA GLU- 107 - HN THR 24 16.667% * 0.8648% (0.15 0.30 0.02) = 0.865% Peak 1092 (1.54, 9.36, 115.05 ppm): 12 chemical-shift based assignments, quality = 0.869, support = 2.77, residual support = 5.79: QG2 THR 24 - HN THR 24 8.333% * 53.0038% (0.82 3.35 8.48) = 53.004% kept * HB3 LEU 23 - HN THR 24 8.333% * 43.1954% (0.98 2.28 3.00) = 43.195% kept HB3 LEU 90 - HN THR 24 8.333% * 1.8804% (0.59 0.16 0.02) = 1.880% kept HG LEU 17 - HN THR 24 8.333% * 0.5818% (0.17 0.18 0.02) = 0.582% QG2 VAL 80 - HN THR 24 8.333% * 0.3163% (0.82 0.02 0.02) = 0.316% HG13 ILE 29 - HN THR 24 8.333% * 0.2750% (0.71 0.02 0.02) = 0.275% HB3 LEU 9 - HN THR 24 8.333% * 0.2297% (0.59 0.02 0.02) = 0.230% HG LEU 9 - HN THR 24 8.333% * 0.2144% (0.55 0.02 0.02) = 0.214% HG LEU 43 - HN THR 24 8.333% * 0.1053% (0.27 0.02 0.02) = 0.105% HD3 LYS+ 60 - HN THR 24 8.333% * 0.0843% (0.22 0.02 0.02) = 0.084% HB ILE 19 - HN THR 24 8.333% * 0.0584% (0.15 0.02 0.02) = 0.058% HG LEU 74 - HN THR 24 8.333% * 0.0553% (0.14 0.02 0.02) = 0.055% Peak 1093 (1.72, 9.36, 115.05 ppm): 3 chemical-shift based assignments, quality = 0.83, support = 0.887, residual support = 0.428: HB2 GLN 16 - HN THR 24 33.333% * 43.6107% (0.98 0.91 0.73) = 43.611% kept HB ILE 48 - HN THR 24 33.333% * 31.5315% (0.90 0.71 0.20) = 31.532% kept HB3 GLU- 50 - HN THR 24 33.333% * 24.8578% (0.48 1.07 0.18) = 24.858% kept Peak 1094 (4.09, 9.36, 115.05 ppm): 8 chemical-shift based assignments, quality = 0.837, support = 0.65, residual support = 0.382: HA ASN 89 - HN THR 24 12.500% * 44.1567% (0.98 0.92 0.84) = 44.157% kept HA LYS+ 63 - HN THR 24 12.500% * 17.8389% (0.78 0.46 0.02) = 17.839% kept HA LYS+ 44 - HN THR 24 12.500% * 16.9913% (0.72 0.48 0.02) = 16.991% kept HA ALA 70 - HN THR 24 12.500% * 16.5315% (0.78 0.43 0.02) = 16.532% kept HB2 SER 49 - HN THR 24 12.500% * 3.6721% (0.33 0.22 0.02) = 3.672% kept HA VAL 105 - HN THR 24 12.500% * 0.4308% (0.44 0.02 0.02) = 0.431% HA THR 46 - HN THR 24 12.500% * 0.2139% (0.22 0.02 0.02) = 0.214% HB3 SER 77 - HN THR 24 12.500% * 0.1647% (0.17 0.02 0.02) = 0.165% Peak 1095 (1.91, 9.36, 115.05 ppm): 14 chemical-shift based assignments, quality = 0.834, support = 2.7, residual support = 2.09: HB2 LEU 23 - HN THR 24 7.143% * 66.4826% (0.93 3.72 3.00) = 66.483% kept HB2 PRO 116 - HN THR 24 7.143% * 10.6530% (0.44 1.26 0.74) = 10.653% kept HB3 GLU- 56 - HN THR 24 7.143% * 6.9129% (0.95 0.38 0.02) = 6.913% kept HD3 LYS+ 63 - HN THR 24 7.143% * 6.8670% (0.97 0.37 0.02) = 6.867% kept HB ILE 29 - HN THR 24 7.143% * 4.7600% (0.71 0.35 0.02) = 4.760% kept HB3 GLN 16 - HN THR 24 7.143% * 2.5524% (0.19 0.68 0.73) = 2.552% kept HB3 GLN 102 - HN THR 24 7.143% * 0.3384% (0.88 0.02 0.02) = 0.338% HB3 PRO 35 - HN THR 24 7.143% * 0.3273% (0.85 0.02 0.02) = 0.327% HB3 GLU- 54 - HN THR 24 7.143% * 0.3273% (0.85 0.02 0.02) = 0.327% HB3 MET 118 - HN THR 24 7.143% * 0.2740% (0.71 0.02 0.02) = 0.274% HB3 CYS 123 - HN THR 24 7.143% * 0.1837% (0.48 0.02 0.02) = 0.184% HG2 PRO 112 - HN THR 24 7.143% * 0.1416% (0.37 0.02 0.02) = 0.142% HG2 GLU- 18 - HN THR 24 7.143% * 0.1049% (0.27 0.02 0.02) = 0.105% HB2 GLU- 75 - HN THR 24 7.143% * 0.0747% (0.19 0.02 0.02) = 0.075% Peak 1096 (4.42, 9.36, 115.05 ppm): 9 chemical-shift based assignments, quality = 0.765, support = 2.47, residual support = 8.3: O HB THR 24 - HN THR 24 11.111% * 52.2551% (0.82 10.0 2.68 8.48) = 52.255% kept * O HA THR 24 - HN THR 24 11.111% * 45.4284% (0.71 10.0 2.31 8.48) = 45.428% kept HA ASN 89 - HN THR 24 11.111% * 2.0307% (0.69 1.0 0.92 0.84) = 2.031% kept HA CYS 121 - HN THR 24 11.111% * 0.0604% (0.95 1.0 0.02 0.02) = 0.060% HA LYS+ 66 - HN THR 24 11.111% * 0.0592% (0.93 1.0 0.02 0.02) = 0.059% HA LYS+ 111 - HN THR 24 11.111% * 0.0543% (0.85 1.0 0.02 0.02) = 0.054% HA VAL 73 - HN THR 24 11.111% * 0.0533% (0.83 1.0 0.02 0.02) = 0.053% HA HIS+ 14 - HN THR 24 11.111% * 0.0478% (0.75 1.0 0.02 0.02) = 0.048% HA VAL 99 - HN THR 24 11.111% * 0.0110% (0.17 1.0 0.02 0.02) = 0.011% Peak 1097 (7.60, 9.36, 115.05 ppm): 5 chemical-shift based assignments, quality = 0.925, support = 3.91, residual support = 11.9: * T HN ASP- 25 - HN THR 24 20.000% * 96.5638% (0.95 10.00 4.03 12.36) = 96.564% kept HD21 ASN 15 - HN THR 24 20.000% * 1.2749% (0.55 1.00 0.45 0.49) = 1.275% kept HE22 GLN 16 - HN THR 24 20.000% * 1.1847% (0.37 1.00 0.63 0.73) = 1.185% kept HD21 ASN 57 - HN THR 24 20.000% * 0.9355% (0.59 1.00 0.31 0.02) = 0.935% HN LYS+ 78 - HN THR 24 20.000% * 0.0411% (0.40 1.00 0.02 0.02) = 0.041% Peak 1098 (4.27, 8.43, 123.78 ppm): 34 chemical-shift based assignments, quality = 0.957, support = 1.27, residual support = 4.36: * O HA PRO 52 - HN ARG+ 53 2.941% * 96.8154% (0.99 10.0 1.31 4.50) = 96.815% kept HA PRO 52 - HN CYS 123 2.941% * 0.1486% (1.00 1.0 0.02 0.02) = 0.149% HA SER 85 - HN CYS 123 2.941% * 0.1486% (1.00 1.0 0.02 0.02) = 0.149% HD3 PRO 59 - HN CYS 123 2.941% * 0.1486% (1.00 1.0 0.02 0.02) = 0.149% HA ALA 91 - HN CYS 123 2.941% * 0.1483% (0.99 1.0 0.02 0.02) = 0.148% HD3 PRO 59 - HN ARG+ 53 2.941% * 0.1476% (0.99 1.0 0.02 0.02) = 0.148% HA SER 85 - HN ARG+ 53 2.941% * 0.1476% (0.99 1.0 0.02 0.02) = 0.148% HA VAL 65 - HN CYS 123 2.941% * 0.1473% (0.99 1.0 0.02 0.02) = 0.147% HA ALA 91 - HN ARG+ 53 2.941% * 0.1472% (0.99 1.0 0.02 0.02) = 0.147% HA VAL 65 - HN ARG+ 53 2.941% * 0.1462% (0.98 1.0 0.02 0.02) = 0.146% HA ARG+ 84 - HN CYS 123 2.941% * 0.1457% (0.98 1.0 0.02 0.02) = 0.146% HA ARG+ 84 - HN ARG+ 53 2.941% * 0.1446% (0.97 1.0 0.02 0.02) = 0.145% HA ASN 89 - HN CYS 123 2.941% * 0.1316% (0.88 1.0 0.02 0.02) = 0.132% HA ASN 89 - HN ARG+ 53 2.941% * 0.1307% (0.87 1.0 0.02 0.02) = 0.131% HA GLU- 75 - HN CYS 123 2.941% * 0.1136% (0.76 1.0 0.02 0.02) = 0.114% HA GLU- 75 - HN ARG+ 53 2.941% * 0.1128% (0.76 1.0 0.02 0.02) = 0.113% HA THR 106 - HN CYS 123 2.941% * 0.1021% (0.68 1.0 0.02 0.02) = 0.102% HA THR 106 - HN ARG+ 53 2.941% * 0.1014% (0.68 1.0 0.02 0.02) = 0.101% HA VAL 73 - HN CYS 123 2.941% * 0.0960% (0.64 1.0 0.02 0.02) = 0.096% HA VAL 73 - HN ARG+ 53 2.941% * 0.0953% (0.64 1.0 0.02 0.02) = 0.095% HA GLU- 56 - HN CYS 123 2.941% * 0.0782% (0.52 1.0 0.02 0.02) = 0.078% HA LEU 90 - HN CYS 123 2.941% * 0.0782% (0.52 1.0 0.02 0.02) = 0.078% HA GLU- 56 - HN ARG+ 53 2.941% * 0.0776% (0.52 1.0 0.02 0.02) = 0.078% HA LEU 90 - HN ARG+ 53 2.941% * 0.0776% (0.52 1.0 0.02 0.02) = 0.078% HA2 GLY 114 - HN CYS 123 2.941% * 0.0611% (0.41 1.0 0.02 0.02) = 0.061% HA2 GLY 114 - HN ARG+ 53 2.941% * 0.0607% (0.41 1.0 0.02 0.02) = 0.061% HA HIS+ 4 - HN CYS 123 2.941% * 0.0459% (0.31 1.0 0.02 0.02) = 0.046% HA HIS+ 4 - HN ARG+ 53 2.941% * 0.0455% (0.30 1.0 0.02 0.26) = 0.046% HA LYS+ 108 - HN CYS 123 2.941% * 0.0294% (0.20 1.0 0.02 0.02) = 0.029% HA LYS+ 108 - HN ARG+ 53 2.941% * 0.0292% (0.20 1.0 0.02 0.02) = 0.029% HA PRO 59 - HN CYS 123 2.941% * 0.0260% (0.17 1.0 0.02 0.02) = 0.026% HA PRO 59 - HN ARG+ 53 2.941% * 0.0258% (0.17 1.0 0.02 0.02) = 0.026% HA PRO 104 - HN CYS 123 2.941% * 0.0229% (0.15 1.0 0.02 0.02) = 0.023% HA PRO 104 - HN ARG+ 53 2.941% * 0.0228% (0.15 1.0 0.02 0.02) = 0.023% Peak 1099 (1.90, 8.43, 123.78 ppm): 26 chemical-shift based assignments, quality = 0.935, support = 1.05, residual support = 3.78: * O HB3 CYS 123 - HN CYS 123 3.846% * 83.2637% (1.00 10.0 1.00 2.01) = 83.264% kept HB3 GLU- 54 - HN ARG+ 53 3.846% * 11.3031% (0.79 1.0 1.71 18.64) = 11.303% kept HD3 LYS+ 63 - HN ARG+ 53 3.846% * 3.0688% (0.56 1.0 0.66 0.02) = 3.069% kept HB3 CYS 123 - HN ARG+ 53 3.846% * 0.1653% (0.99 1.0 0.02 0.02) = 0.165% HG2 GLU- 18 - HN CYS 123 3.846% * 0.1537% (0.92 1.0 0.02 0.02) = 0.154% HB3 MET 118 - HN CYS 123 3.846% * 0.1537% (0.92 1.0 0.02 0.02) = 0.154% HB3 MET 118 - HN ARG+ 53 3.846% * 0.1526% (0.91 1.0 0.02 0.02) = 0.153% HG2 GLU- 18 - HN ARG+ 53 3.846% * 0.1526% (0.91 1.0 0.02 0.02) = 0.153% HB3 GLN 16 - HN CYS 123 3.846% * 0.1391% (0.83 1.0 0.02 0.02) = 0.139% HB3 GLN 16 - HN ARG+ 53 3.846% * 0.1381% (0.83 1.0 0.02 0.02) = 0.138% HB3 GLU- 54 - HN CYS 123 3.846% * 0.1333% (0.80 1.0 0.02 0.02) = 0.133% HB3 GLN 102 - HN CYS 123 3.846% * 0.1273% (0.76 1.0 0.02 0.02) = 0.127% HB3 GLN 102 - HN ARG+ 53 3.846% * 0.1264% (0.76 1.0 0.02 0.02) = 0.126% HB2 GLU- 10 - HN CYS 123 3.846% * 0.1144% (0.68 1.0 0.02 0.02) = 0.114% HB2 GLU- 10 - HN ARG+ 53 3.846% * 0.1136% (0.68 1.0 0.02 0.02) = 0.114% HD3 LYS+ 63 - HN CYS 123 3.846% * 0.0943% (0.56 1.0 0.02 0.02) = 0.094% HG3 LYS+ 120 - HN CYS 123 3.846% * 0.0811% (0.48 1.0 0.02 0.02) = 0.081% HG3 LYS+ 120 - HN ARG+ 53 3.846% * 0.0805% (0.48 1.0 0.02 0.02) = 0.080% HB3 ARG+ 84 - HN CYS 123 3.846% * 0.0747% (0.45 1.0 0.02 0.02) = 0.075% HB3 ARG+ 84 - HN ARG+ 53 3.846% * 0.0741% (0.44 1.0 0.02 0.02) = 0.074% HB3 GLU- 56 - HN CYS 123 3.846% * 0.0568% (0.34 1.0 0.02 0.02) = 0.057% HB3 GLU- 56 - HN ARG+ 53 3.846% * 0.0564% (0.34 1.0 0.02 0.02) = 0.056% HB2 LEU 23 - HN CYS 123 3.846% * 0.0514% (0.31 1.0 0.02 0.02) = 0.051% HB2 LEU 23 - HN ARG+ 53 3.846% * 0.0510% (0.30 1.0 0.02 0.02) = 0.051% HB3 PRO 35 - HN CYS 123 3.846% * 0.0371% (0.22 1.0 0.02 0.02) = 0.037% HB3 PRO 35 - HN ARG+ 53 3.846% * 0.0368% (0.22 1.0 0.02 0.02) = 0.037% Peak 1100 (4.12, 8.43, 123.78 ppm): 20 chemical-shift based assignments, quality = 0.941, support = 2.46, residual support = 10.5: * O HA ARG+ 53 - HN ARG+ 53 5.000% * 98.7307% (0.95 10.0 2.49 10.62) = 98.731% kept HA ASN 89 - HN CYS 123 5.000% * 0.1018% (0.98 1.0 0.02 0.02) = 0.102% HA ASN 89 - HN ARG+ 53 5.000% * 0.1011% (0.98 1.0 0.02 0.02) = 0.101% HA ARG+ 53 - HN CYS 123 5.000% * 0.0994% (0.96 1.0 0.02 0.02) = 0.099% HB THR 106 - HN CYS 123 5.000% * 0.0924% (0.89 1.0 0.02 0.02) = 0.092% HB THR 106 - HN ARG+ 53 5.000% * 0.0917% (0.89 1.0 0.02 0.02) = 0.092% HD2 PRO 59 - HN CYS 123 5.000% * 0.0894% (0.86 1.0 0.02 0.02) = 0.089% HD2 PRO 59 - HN ARG+ 53 5.000% * 0.0887% (0.86 1.0 0.02 0.02) = 0.089% HA2 GLY 71 - HN CYS 123 5.000% * 0.0708% (0.68 1.0 0.02 0.02) = 0.071% HA THR 46 - HN CYS 123 5.000% * 0.0708% (0.68 1.0 0.02 0.02) = 0.071% HA THR 46 - HN ARG+ 53 5.000% * 0.0703% (0.68 1.0 0.02 0.02) = 0.070% HA2 GLY 71 - HN ARG+ 53 5.000% * 0.0703% (0.68 1.0 0.02 0.02) = 0.070% HA LYS+ 44 - HN CYS 123 5.000% * 0.0574% (0.55 1.0 0.02 0.02) = 0.057% HA LYS+ 44 - HN ARG+ 53 5.000% * 0.0570% (0.55 1.0 0.02 0.02) = 0.057% HB2 SER 88 - HN CYS 123 5.000% * 0.0462% (0.45 1.0 0.02 0.02) = 0.046% HB2 SER 88 - HN ARG+ 53 5.000% * 0.0459% (0.44 1.0 0.02 0.02) = 0.046% HA VAL 105 - HN CYS 123 5.000% * 0.0424% (0.41 1.0 0.02 0.02) = 0.042% HA VAL 105 - HN ARG+ 53 5.000% * 0.0421% (0.41 1.0 0.02 0.02) = 0.042% HA ALA 70 - HN CYS 123 5.000% * 0.0159% (0.15 1.0 0.02 0.02) = 0.016% HA ALA 70 - HN ARG+ 53 5.000% * 0.0158% (0.15 1.0 0.02 0.02) = 0.016% Peak 1101 (4.50, 8.43, 123.78 ppm): 16 chemical-shift based assignments, quality = 0.754, support = 1.22, residual support = 1.93: * O HA CYS 123 - HN CYS 123 6.250% * 95.1155% (0.76 10.0 1.27 2.01) = 95.116% kept HA LYS+ 55 - HN ARG+ 53 6.250% * 3.0846% (0.98 1.0 0.32 0.71) = 3.085% kept HA LYS+ 55 - HN CYS 123 6.250% * 0.1945% (0.99 1.0 0.02 0.02) = 0.195% HB THR 46 - HN CYS 123 6.250% * 0.1945% (0.99 1.0 0.02 0.02) = 0.195% HB THR 46 - HN ARG+ 53 6.250% * 0.1931% (0.98 1.0 0.02 0.02) = 0.193% HA SER 77 - HN CYS 123 6.250% * 0.1702% (0.86 1.0 0.02 0.02) = 0.170% HA SER 77 - HN ARG+ 53 6.250% * 0.1690% (0.86 1.0 0.02 0.02) = 0.169% HA CYS 123 - HN ARG+ 53 6.250% * 0.1489% (0.76 1.0 0.02 0.02) = 0.149% HA ASN 89 - HN CYS 123 6.250% * 0.1169% (0.59 1.0 0.02 0.02) = 0.117% HA ASN 89 - HN ARG+ 53 6.250% * 0.1160% (0.59 1.0 0.02 0.02) = 0.116% HA ASN 76 - HN CYS 123 6.250% * 0.1111% (0.56 1.0 0.02 0.02) = 0.111% HA ASN 76 - HN ARG+ 53 6.250% * 0.1103% (0.56 1.0 0.02 0.02) = 0.110% HA VAL 73 - HN CYS 123 6.250% * 0.0775% (0.39 1.0 0.02 0.02) = 0.078% HA VAL 73 - HN ARG+ 53 6.250% * 0.0769% (0.39 1.0 0.02 0.02) = 0.077% HA LYS+ 78 - HN CYS 123 6.250% * 0.0606% (0.31 1.0 0.02 0.02) = 0.061% HA LYS+ 78 - HN ARG+ 53 6.250% * 0.0601% (0.30 1.0 0.02 0.02) = 0.060% Peak 1102 (3.47, 8.82, 121.40 ppm): 7 chemical-shift based assignments, quality = 0.72, support = 2.83, residual support = 5.36: HD3 PRO 31 - HN LYS+ 32 14.286% * 60.0143% (0.94 2.97 7.55) = 60.014% kept HA1 GLY 30 - HN LYS+ 32 14.286% * 29.6211% (0.41 3.37 2.49) = 29.621% kept HA ASN 89 - HN LYS+ 32 14.286% * 5.7923% (0.41 0.65 0.95) = 5.792% kept HA ILE 48 - HN LYS+ 32 14.286% * 2.8458% (0.29 0.46 1.22) = 2.846% kept HB3 SER 69 - HN LYS+ 32 14.286% * 1.1235% (0.17 0.30 0.02) = 1.123% kept HA1 GLY 71 - HN LYS+ 32 14.286% * 0.3948% (0.92 0.02 0.02) = 0.395% HA VAL 80 - HN LYS+ 32 14.286% * 0.2082% (0.48 0.02 0.02) = 0.208% Reference assignment not found: HB3 PRO 31 - HN LYS+ 32 Peak 1103 (1.48, 9.49, 134.56 ppm): 6 chemical-shift based assignments, quality = 0.991, support = 2.29, residual support = 12.5: O QB ALA 70 - HN ALA 70 16.667% * 98.6968% (1.00 10.0 2.31 12.66) = 98.697% kept HB3 LEU 67 - HN ALA 70 16.667% * 1.1768% (0.57 1.0 0.42 0.02) = 1.177% kept HD3 LYS+ 108 - HN ALA 70 16.667% * 0.0443% (0.45 1.0 0.02 0.02) = 0.044% HB2 LYS+ 72 - HN ALA 70 16.667% * 0.0337% (0.34 1.0 0.02 1.89) = 0.034% HG3 LYS+ 72 - HN ALA 70 16.667% * 0.0247% (0.25 1.0 0.02 1.89) = 0.025% HG LEU 74 - HN ALA 70 16.667% * 0.0237% (0.24 1.0 0.02 0.02) = 0.024% Peak 1104 (8.00, 7.98, 120.59 ppm): 1 diagonal assignment: * HN LEU 43 - HN LEU 43 (0.68) kept Peak 1106 (3.93, 8.45, 129.16 ppm): 11 chemical-shift based assignments, quality = 0.959, support = 4.15, residual support = 65.7: * O HA LEU 74 - HN LEU 74 9.091% * 85.4133% (0.99 10.0 4.63 76.40) = 85.413% kept HA ASN 89 - HN LEU 74 9.091% * 7.2202% (0.95 1.0 1.77 2.30) = 7.220% kept HA LYS+ 44 - HN LEU 74 9.091% * 2.9146% (0.89 1.0 0.76 3.69) = 2.915% kept HA ILE 48 - HN LEU 74 9.091% * 1.6611% (0.22 1.0 1.76 5.70) = 1.661% kept HA VAL 122 - HN LEU 74 9.091% * 1.3718% (0.91 1.0 0.35 4.52) = 1.372% kept HA1 GLY 114 - HN LEU 74 9.091% * 1.1031% (0.41 1.0 0.63 0.02) = 1.103% kept HB THR 96 - HN LEU 74 9.091% * 0.0847% (0.98 1.0 0.02 0.43) = 0.085% HB3 CYS 121 - HN LEU 74 9.091% * 0.0837% (0.97 1.0 0.02 4.62) = 0.084% HB3 SER 77 - HN LEU 74 9.091% * 0.0576% (0.67 1.0 0.02 0.02) = 0.058% HA THR 96 - HN LEU 74 9.091% * 0.0484% (0.56 1.0 0.02 0.43) = 0.048% HB2 SER 77 - HN LEU 74 9.091% * 0.0416% (0.48 1.0 0.02 0.02) = 0.042% Peak 1107 (1.17, 8.45, 129.16 ppm): 6 chemical-shift based assignments, quality = 0.975, support = 5.11, residual support = 72.9: * O HB2 LEU 74 - HN LEU 74 16.667% * 74.2541% (0.99 10.0 5.19 76.40) = 74.254% kept HG LEU 74 - HN LEU 74 16.667% * 21.0104% (0.97 1.0 5.80 76.40) = 21.010% kept QG2 THR 106 - HN LEU 74 16.667% * 2.7294% (0.97 1.0 0.75 0.75) = 2.729% kept HB ILE 68 - HN LEU 74 16.667% * 1.8782% (0.60 1.0 0.83 5.42) = 1.878% kept HB3 LYS+ 66 - HN LEU 74 16.667% * 0.0741% (0.99 1.0 0.02 1.22) = 0.074% HG3 PRO 59 - HN LEU 74 16.667% * 0.0539% (0.72 1.0 0.02 0.02) = 0.054% Peak 1108 (1.28, 8.45, 129.16 ppm): 5 chemical-shift based assignments, quality = 0.944, support = 4.42, residual support = 76.3: * O HB3 LEU 74 - HN LEU 74 20.000% * 81.8683% (0.99 10.0 4.13 76.40) = 81.868% kept HG LEU 74 - HN LEU 74 20.000% * 17.9640% (0.75 1.0 5.80 76.40) = 17.964% kept HB2 LYS+ 55 - HN LEU 74 20.000% * 0.0684% (0.83 1.0 0.02 0.02) = 0.068% QG2 THR 46 - HN LEU 74 20.000% * 0.0497% (0.60 1.0 0.02 0.56) = 0.050% HG2 LYS+ 32 - HN LEU 74 20.000% * 0.0497% (0.60 1.0 0.02 0.11) = 0.050% Peak 1109 (-0.06, 8.45, 129.16 ppm): 1 chemical-shift based assignment, quality = 0.989, support = 5.16, residual support = 76.4: * QD1 LEU 74 - HN LEU 74 100.000% *100.0000% (0.99 5.16 76.40) = 100.000% kept Peak 1110 (2.52, 8.26, 122.13 ppm): 5 chemical-shift based assignments, quality = 0.363, support = 2.11, residual support = 13.8: O HB2 ASP- 115 - HN ASP- 115 20.000% * 98.6925% (0.37 10.0 2.14 14.01) = 98.692% kept HA1 GLY 58 - HN ASP- 115 20.000% * 0.9377% (0.89 1.0 0.08 0.02) = 0.938% HB2 ASP- 36 - HN ASP- 115 20.000% * 0.2281% (0.85 1.0 0.02 0.02) = 0.228% HB3 LYS+ 81 - HN ASP- 115 20.000% * 0.0897% (0.33 1.0 0.02 0.02) = 0.090% HG3 PRO 35 - HN ASP- 115 20.000% * 0.0520% (0.19 1.0 0.02 0.02) = 0.052% Peak 1111 (9.50, 9.50, 128.89 ppm): 1 diagonal assignment: * HE1 TRP 51 - HE1 TRP 51 (1.00) kept Peak 1112 (7.31, 9.50, 128.89 ppm): 7 chemical-shift based assignments, quality = 0.444, support = 1.79, residual support = 49.7: O HZ2 TRP 51 - HE1 TRP 51 14.286% * 98.9781% (0.45 10.0 1.81 50.19) = 98.978% kept HN ARG+ 84 - HE1 TRP 51 14.286% * 0.2353% (0.97 1.0 0.02 0.02) = 0.235% HN VAL 47 - HE1 TRP 51 14.286% * 0.2306% (0.95 1.0 0.02 2.88) = 0.231% QD PHE 34 - HE1 TRP 51 14.286% * 0.2187% (0.90 1.0 0.02 0.02) = 0.219% HN ILE 48 - HE1 TRP 51 14.286% * 0.1187% (0.49 1.0 0.02 1.20) = 0.119% HZ PHE 34 - HE1 TRP 51 14.286% * 0.1093% (0.45 1.0 0.02 0.02) = 0.109% QE PHE 34 - HE1 TRP 51 14.286% * 0.1093% (0.45 1.0 0.02 0.02) = 0.109% Peak 1113 (7.14, 9.50, 128.89 ppm): 1 chemical-shift based assignment, quality = 0.566, support = 1.8, residual support = 50.2: O HD1 TRP 51 - HE1 TRP 51 100.000% *100.0000% (0.57 10.0 1.80 50.19) = 100.000% kept Peak 1114 (2.80, 9.50, 128.89 ppm): 9 chemical-shift based assignments, quality = 0.866, support = 1.29, residual support = 3.19: HA2 GLY 58 - HE1 TRP 51 11.111% * 42.0891% (0.97 1.46 3.79) = 42.089% kept HA1 GLY 58 - HE1 TRP 51 11.111% * 39.4304% (0.88 1.50 3.79) = 39.430% kept HB3 ASN 57 - HE1 TRP 51 11.111% * 12.1823% (0.65 0.63 0.02) = 12.182% kept HB3 ASN 89 - HE1 TRP 51 11.111% * 2.4559% (0.84 0.10 4.28) = 2.456% kept HB2 ASN 119 - HE1 TRP 51 11.111% * 2.1973% (0.65 0.11 0.02) = 2.197% kept HB3 ASN 119 - HE1 TRP 51 11.111% * 0.5949% (0.18 0.11 0.02) = 0.595% HE3 LYS+ 32 - HE1 TRP 51 11.111% * 0.5356% (0.90 0.02 0.26) = 0.536% HE3 LYS+ 111 - HE1 TRP 51 11.111% * 0.4337% (0.73 0.02 0.02) = 0.434% HB3 ASN 15 - HE1 TRP 51 11.111% * 0.0808% (0.14 0.02 0.02) = 0.081% Peak 1115 (2.22, 9.50, 128.89 ppm): 15 chemical-shift based assignments, quality = 0.803, support = 1.27, residual support = 6.82: HB2 GLU- 50 - HE1 TRP 51 6.667% * 44.1517% (0.92 1.98 12.77) = 44.152% kept HB3 PRO 52 - HE1 TRP 51 6.667% * 15.7221% (0.98 0.66 4.27) = 15.722% kept HA1 GLY 58 - HE1 TRP 51 6.667% * 13.4474% (0.37 1.50 3.79) = 13.447% kept HG3 MET 118 - HE1 TRP 51 6.667% * 8.7089% (1.00 0.36 0.02) = 8.709% kept HG2 GLU- 56 - HE1 TRP 51 6.667% * 6.0696% (0.53 0.48 0.02) = 6.070% kept HG3 GLU- 18 - HE1 TRP 51 6.667% * 5.8866% (0.97 0.25 0.02) = 5.887% kept HG3 GLU- 54 - HE1 TRP 51 6.667% * 3.7974% (0.41 0.38 0.02) = 3.797% kept HG3 GLU- 107 - HE1 TRP 51 6.667% * 0.4581% (0.95 0.02 0.02) = 0.458% HG3 GLU- 75 - HE1 TRP 51 6.667% * 0.4045% (0.84 0.02 0.02) = 0.404% HG3 GLU- 109 - HE1 TRP 51 6.667% * 0.4045% (0.84 0.02 0.02) = 0.404% HG3 MET 126 - HE1 TRP 51 6.667% * 0.3701% (0.76 0.02 0.02) = 0.370% HG3 GLU- 10 - HE1 TRP 51 6.667% * 0.2741% (0.57 0.02 0.02) = 0.274% HB2 LYS+ 113 - HE1 TRP 51 6.667% * 0.1346% (0.28 0.02 0.02) = 0.135% HB VAL 80 - HE1 TRP 51 6.667% * 0.0958% (0.20 0.02 0.02) = 0.096% HG2 MET 126 - HE1 TRP 51 6.667% * 0.0747% (0.15 0.02 0.02) = 0.075% Peak 1116 (1.91, 9.50, 128.89 ppm): 14 chemical-shift based assignments, quality = 0.824, support = 0.335, residual support = 9.74: HB2 LEU 23 - HE1 TRP 51 7.143% * 42.7757% (0.95 0.51 22.08) = 42.776% kept HB ILE 29 - HE1 TRP 51 7.143% * 20.1535% (0.73 0.32 1.42) = 20.154% kept HB3 GLU- 56 - HE1 TRP 51 7.143% * 14.8561% (0.97 0.18 0.02) = 14.856% kept HB3 GLU- 54 - HE1 TRP 51 7.143% * 7.5272% (0.87 0.10 0.02) = 7.527% kept HB3 GLN 16 - HE1 TRP 51 7.143% * 5.4274% (0.20 0.31 0.02) = 5.427% kept HD3 LYS+ 63 - HE1 TRP 51 7.143% * 1.7423% (0.99 0.02 0.02) = 1.742% kept HB3 GLN 102 - HE1 TRP 51 7.143% * 1.5765% (0.90 0.02 0.02) = 1.576% kept HB3 PRO 35 - HE1 TRP 51 7.143% * 1.5248% (0.87 0.02 0.02) = 1.525% kept HB3 MET 118 - HE1 TRP 51 7.143% * 1.2764% (0.73 0.02 0.02) = 1.276% kept HB3 CYS 123 - HE1 TRP 51 7.143% * 0.8556% (0.49 0.02 0.02) = 0.856% HB2 PRO 116 - HE1 TRP 51 7.143% * 0.7881% (0.45 0.02 0.02) = 0.788% HG2 PRO 112 - HE1 TRP 51 7.143% * 0.6597% (0.38 0.02 0.02) = 0.660% HG2 GLU- 18 - HE1 TRP 51 7.143% * 0.4887% (0.28 0.02 0.02) = 0.489% HB2 GLU- 75 - HE1 TRP 51 7.143% * 0.3479% (0.20 0.02 0.02) = 0.348% Peak 1117 (1.75, 9.50, 128.89 ppm): 6 chemical-shift based assignments, quality = 0.478, support = 1.42, residual support = 5.47: HB3 GLU- 50 - HE1 TRP 51 16.667% * 42.7589% (0.41 2.21 12.77) = 42.759% kept HB3 ARG+ 53 - HE1 TRP 51 16.667% * 21.3595% (0.41 1.10 0.02) = 21.359% kept HB3 GLU- 18 - HE1 TRP 51 16.667% * 19.4239% (0.41 1.00 0.02) = 19.424% kept HB2 ARG+ 84 - HE1 TRP 51 16.667% * 14.6265% (0.92 0.34 0.02) = 14.627% kept HB VAL 94 - HE1 TRP 51 16.667% * 0.9227% (0.98 0.02 0.02) = 0.923% HB2 HIS+ 7 - HE1 TRP 51 16.667% * 0.9085% (0.97 0.02 0.02) = 0.908% Peak 1118 (1.43, 9.50, 128.89 ppm): 10 chemical-shift based assignments, quality = 0.806, support = 0.125, residual support = 0.124: HG3 LYS+ 55 - HE1 TRP 51 10.000% * 48.6935% (1.00 0.18 0.23) = 48.693% kept QB ALA 37 - HE1 TRP 51 10.000% * 15.5417% (0.41 0.14 0.02) = 15.542% kept HG LEU 74 - HE1 TRP 51 10.000% * 8.2915% (0.35 0.09 0.02) = 8.292% kept HD3 LYS+ 113 - HE1 TRP 51 10.000% * 5.2604% (1.00 0.02 0.02) = 5.260% kept HB3 LYS+ 60 - HE1 TRP 51 10.000% * 4.8667% (0.92 0.02 0.02) = 4.867% kept HG LEU 90 - HE1 TRP 51 10.000% * 4.5732% (0.87 0.02 0.02) = 4.573% kept HG3 LYS+ 108 - HE1 TRP 51 10.000% * 4.4036% (0.84 0.02 0.02) = 4.404% kept HD3 LYS+ 44 - HE1 TRP 51 10.000% * 4.4036% (0.84 0.02 0.02) = 4.404% kept QG2 THR 38 - HE1 TRP 51 10.000% * 2.1674% (0.41 0.02 0.02) = 2.167% kept QB ALA 42 - HE1 TRP 51 10.000% * 1.7984% (0.34 0.02 0.02) = 1.798% kept Not enough support, support cutoff is 0.22 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): 8 chemical-shift based assignments, quality = 0.988, support = 5.1, residual support = 63.3: * O HA ILE 29 - HN ILE 29 12.500% * 97.2804% (1.00 10.0 5.23 65.06) = 97.280% kept HA ASN 89 - HN ILE 29 12.500% * 2.3810% (0.84 1.0 0.58 0.02) = 2.381% kept HA PRO 112 - HN ILE 29 12.500% * 0.0872% (0.89 1.0 0.02 0.02) = 0.087% HA PRO 104 - HN ILE 29 12.500% * 0.0844% (0.86 1.0 0.02 0.02) = 0.084% HA VAL 73 - HN ILE 29 12.500% * 0.0828% (0.85 1.0 0.02 0.02) = 0.083% HA LEU 90 - HN ILE 29 12.500% * 0.0400% (0.41 1.0 0.02 0.02) = 0.040% HA THR 106 - HN ILE 29 12.500% * 0.0270% (0.28 1.0 0.02 0.02) = 0.027% HA VAL 94 - HN ILE 29 12.500% * 0.0170% (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 = 4.16, residual support = 23.5: O HA ASP- 28 - HN ILE 29 100.000% *100.0000% (0.28 10.0 4.16 23.50) = 100.000% kept Peak 1122 (9.87, 9.03, 115.09 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1124 (0.83, 9.30, 121.49 ppm): 13 chemical-shift based assignments, quality = 0.899, support = 3.85, residual support = 51.1: * QD1 ILE 29 - HN ILE 29 7.692% * 77.9925% (1.00 4.77 65.06) = 77.993% kept QD2 LEU 17 - HN ILE 29 7.692% * 6.9494% (0.57 0.75 5.11) = 6.949% kept HG LEU 74 - HN ILE 29 7.692% * 6.0772% (0.38 0.98 0.19) = 6.077% kept HG2 LYS+ 113 - HN ILE 29 7.692% * 4.1067% (0.87 0.29 0.02) = 4.107% kept HG3 LYS+ 113 - HN ILE 29 7.692% * 3.2520% (0.69 0.29 0.02) = 3.252% kept QG1 VAL 13 - HN ILE 29 7.692% * 0.3208% (0.98 0.02 0.02) = 0.321% QG1 VAL 94 - HN ILE 29 7.692% * 0.2621% (0.80 0.02 0.02) = 0.262% QG2 VAL 13 - HN ILE 29 7.692% * 0.2621% (0.80 0.02 0.02) = 0.262% HG2 LYS+ 117 - HN ILE 29 7.692% * 0.2377% (0.73 0.02 0.02) = 0.238% HG3 LYS+ 117 - HN ILE 29 7.692% * 0.1853% (0.57 0.02 0.02) = 0.185% QD2 LEU 90 - HN ILE 29 7.692% * 0.1467% (0.45 0.02 0.02) = 0.147% HB ILE 101 - HN ILE 29 7.692% * 0.1346% (0.41 0.02 0.02) = 0.135% QD2 LEU 67 - HN ILE 29 7.692% * 0.0729% (0.22 0.02 0.02) = 0.073% Peak 1125 (1.93, 9.30, 121.49 ppm): 14 chemical-shift based assignments, quality = 0.982, support = 5.22, residual support = 59.7: * O HB ILE 29 - HN ILE 29 7.143% * 90.8682% (1.00 10.0 5.60 65.06) = 90.868% kept HB2 LEU 23 - HN ILE 29 7.143% * 7.1831% (0.90 1.0 1.76 8.51) = 7.183% kept HB3 GLU- 56 - HN ILE 29 7.143% * 1.2228% (0.87 1.0 0.31 0.31) = 1.223% kept HB2 GLU- 75 - HN ILE 29 7.143% * 0.2331% (0.61 1.0 0.08 0.02) = 0.233% HB3 PRO 35 - HN ILE 29 7.143% * 0.0877% (0.96 1.0 0.02 0.02) = 0.088% HB2 PRO 116 - HN ILE 29 7.143% * 0.0815% (0.90 1.0 0.02 0.02) = 0.081% HG2 PRO 112 - HN ILE 29 7.143% * 0.0759% (0.83 1.0 0.02 0.02) = 0.076% HD3 LYS+ 63 - HN ILE 29 7.143% * 0.0588% (0.65 1.0 0.02 0.02) = 0.059% HB3 GLN 102 - HN ILE 29 7.143% * 0.0407% (0.45 1.0 0.02 0.02) = 0.041% HB3 LYS+ 55 - HN ILE 29 7.143% * 0.0374% (0.41 1.0 0.02 0.02) = 0.037% HB3 GLU- 54 - HN ILE 29 7.143% * 0.0374% (0.41 1.0 0.02 0.02) = 0.037% HG3 PRO 31 - HN ILE 29 7.143% * 0.0341% (0.37 1.0 0.02 0.45) = 0.034% HB3 MET 118 - HN ILE 29 7.143% * 0.0253% (0.28 1.0 0.02 0.02) = 0.025% HG3 PRO 116 - HN ILE 29 7.143% * 0.0140% (0.15 1.0 0.02 0.02) = 0.014% Peak 1127 (6.64, 6.64, 110.14 ppm): 1 diagonal assignment: * HE21 GLN 102 - HE21 GLN 102 (0.98) kept Peak 1129 (8.28, 8.28, 120.11 ppm): 2 diagonal assignments: * HN ASN 89 - HN ASN 89 (0.91) kept HN GLN 16 - HN GLN 16 (0.32) kept Peak 1130 (4.37, 8.28, 120.11 ppm): 45 chemical-shift based assignments, quality = 0.649, support = 2.81, residual support = 8.02: O HA ASN 89 - HN ASN 89 2.222% * 73.6745% (0.76 10.0 3.31 7.62) = 73.675% kept O HA SER 88 - HN ASN 89 2.222% * 21.4989% (0.27 10.0 1.63 10.57) = 21.499% kept HA2 GLY 26 - HN ASN 89 2.222% * 3.0302% (0.93 1.0 0.68 4.26) = 3.030% kept HA VAL 73 - HN ASN 89 2.222% * 0.0947% (0.98 1.0 0.02 0.02) = 0.095% HB3 HIS+ 4 - HN ASN 89 2.222% * 0.0939% (0.97 1.0 0.02 0.02) = 0.094% HA THR 38 - HN ASN 89 2.222% * 0.0929% (0.96 1.0 0.02 0.02) = 0.093% HA LYS+ 60 - HN ASN 89 2.222% * 0.0874% (0.91 1.0 0.02 0.18) = 0.087% HA LYS+ 117 - HN ASN 89 2.222% * 0.0822% (0.85 1.0 0.02 0.02) = 0.082% HA ALA 37 - HN ASN 89 2.222% * 0.0822% (0.85 1.0 0.02 0.14) = 0.082% HA ASN 57 - HN ASN 89 2.222% * 0.0791% (0.82 1.0 0.02 0.02) = 0.079% HA MET 1 - HN ASN 89 2.222% * 0.0724% (0.75 1.0 0.02 0.02) = 0.072% HA VAL 73 - HN GLN 16 2.222% * 0.0686% (0.71 1.0 0.02 0.02) = 0.069% HB3 HIS+ 4 - HN GLN 16 2.222% * 0.0680% (0.70 1.0 0.02 0.02) = 0.068% HA THR 38 - HN GLN 16 2.222% * 0.0673% (0.70 1.0 0.02 0.02) = 0.067% HA2 GLY 26 - HN GLN 16 2.222% * 0.0649% (0.67 1.0 0.02 0.02) = 0.065% HA LYS+ 60 - HN GLN 16 2.222% * 0.0633% (0.66 1.0 0.02 0.02) = 0.063% HA1 GLY 26 - HN ASN 89 2.222% * 0.0613% (0.64 1.0 0.02 4.26) = 0.061% HA LYS+ 117 - HN GLN 16 2.222% * 0.0595% (0.62 1.0 0.02 0.02) = 0.060% HA ALA 37 - HN GLN 16 2.222% * 0.0595% (0.62 1.0 0.02 0.02) = 0.060% HA TRP 51 - HN ASN 89 2.222% * 0.0575% (0.60 1.0 0.02 4.28) = 0.057% HA ASN 57 - HN GLN 16 2.222% * 0.0573% (0.59 1.0 0.02 0.02) = 0.057% HA ASN 89 - HN GLN 16 2.222% * 0.0534% (0.55 1.0 0.02 0.02) = 0.053% HA MET 1 - HN GLN 16 2.222% * 0.0524% (0.54 1.0 0.02 0.02) = 0.052% HA HIS+ 3 - HN ASN 89 2.222% * 0.0498% (0.52 1.0 0.02 0.02) = 0.050% HA1 GLY 26 - HN GLN 16 2.222% * 0.0444% (0.46 1.0 0.02 0.02) = 0.044% HA TRP 51 - HN GLN 16 2.222% * 0.0416% (0.43 1.0 0.02 0.02) = 0.042% HA HIS+ 3 - HN GLN 16 2.222% * 0.0361% (0.37 1.0 0.02 0.48) = 0.036% HA SER 88 - HN GLN 16 2.222% * 0.0191% (0.20 1.0 0.02 0.02) = 0.019% HB THR 61 - HN ASN 89 2.222% * 0.0166% (0.17 1.0 0.02 0.02) = 0.017% HA VAL 73 - HN GLU- 12 2.222% * 0.0142% (0.15 1.0 0.02 0.02) = 0.014% HB3 HIS+ 4 - HN GLU- 12 2.222% * 0.0141% (0.15 1.0 0.02 0.02) = 0.014% HA THR 38 - HN GLU- 12 2.222% * 0.0139% (0.14 1.0 0.02 0.02) = 0.014% HA2 GLY 26 - HN GLU- 12 2.222% * 0.0134% (0.14 1.0 0.02 0.02) = 0.013% HA LYS+ 60 - HN GLU- 12 2.222% * 0.0131% (0.14 1.0 0.02 0.02) = 0.013% HA LYS+ 117 - HN GLU- 12 2.222% * 0.0123% (0.13 1.0 0.02 0.02) = 0.012% HA ALA 37 - HN GLU- 12 2.222% * 0.0123% (0.13 1.0 0.02 0.02) = 0.012% HB THR 61 - HN GLN 16 2.222% * 0.0120% (0.12 1.0 0.02 0.02) = 0.012% HA ASN 57 - HN GLU- 12 2.222% * 0.0119% (0.12 1.0 0.02 0.02) = 0.012% HA ASN 89 - HN GLU- 12 2.222% * 0.0111% (0.11 1.0 0.02 0.02) = 0.011% HA MET 1 - HN GLU- 12 2.222% * 0.0109% (0.11 1.0 0.02 0.02) = 0.011% HA1 GLY 26 - HN GLU- 12 2.222% * 0.0092% (0.10 1.0 0.02 0.02) = 0.009% HA TRP 51 - HN GLU- 12 2.222% * 0.0086% (0.09 1.0 0.02 0.02) = 0.009% HA HIS+ 3 - HN GLU- 12 2.222% * 0.0075% (0.08 1.0 0.02 0.02) = 0.007% HA SER 88 - HN GLU- 12 2.222% * 0.0040% (0.04 1.0 0.02 0.02) = 0.004% HB THR 61 - HN GLU- 12 2.222% * 0.0025% (0.03 1.0 0.02 0.02) = 0.002% Peak 1131 (7.31, 7.31, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1132 (6.82, 7.31, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1133 (6.82, 6.81, 111.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1134 (7.32, 6.82, 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): 19 chemical-shift based assignments, quality = 0.925, support = 1.4, residual support = 3.07: * O HA GLU- 56 - HN ASN 57 5.263% * 81.6082% (0.97 10.0 1.52 3.74) = 81.608% kept HA GLU- 75 - HN ASN 57 5.263% * 5.0444% (0.95 1.0 0.97 0.27) = 5.044% kept HA PRO 59 - HN ASN 57 5.263% * 3.9292% (0.67 1.0 1.06 0.02) = 3.929% kept HA HIS+ 4 - HN ASN 57 5.263% * 3.5156% (0.85 1.0 0.75 0.02) = 3.516% kept HD3 PRO 59 - HN ASN 57 5.263% * 3.4694% (0.59 1.0 1.06 0.02) = 3.469% kept HA VAL 73 - HN ASN 57 5.263% * 1.3794% (0.54 1.0 0.46 0.02) = 1.379% kept HA VAL 65 - HN ASN 57 5.263% * 0.3819% (0.67 1.0 0.10 0.02) = 0.382% HA2 GLY 114 - HN ASN 57 5.263% * 0.1022% (0.93 1.0 0.02 0.02) = 0.102% HA ASN 89 - HN ASN 57 5.263% * 0.0973% (0.88 1.0 0.02 0.02) = 0.097% HA ARG+ 84 - HN ASN 57 5.263% * 0.0785% (0.71 1.0 0.02 0.02) = 0.078% HA LYS+ 108 - HN ASN 57 5.263% * 0.0785% (0.71 1.0 0.02 0.02) = 0.078% HA SER 85 - HN ASN 57 5.263% * 0.0656% (0.59 1.0 0.02 0.02) = 0.066% HA PRO 52 - HN ASN 57 5.263% * 0.0656% (0.59 1.0 0.02 0.02) = 0.066% HA ALA 91 - HN ASN 57 5.263% * 0.0612% (0.55 1.0 0.02 0.02) = 0.061% HA HIS+ 8 - HN ASN 57 5.263% * 0.0369% (0.33 1.0 0.02 0.02) = 0.037% HA GLU- 54 - HN ASN 57 5.263% * 0.0269% (0.24 1.0 0.02 0.02) = 0.027% HA SER 49 - HN ASN 57 5.263% * 0.0214% (0.19 1.0 0.02 0.02) = 0.021% HA GLU- 18 - HN ASN 57 5.263% * 0.0189% (0.17 1.0 0.02 0.02) = 0.019% HA THR 106 - HN ASN 57 5.263% * 0.0189% (0.17 1.0 0.02 0.02) = 0.019% Peak 1136 (7.06, 7.06, 110.14 ppm): 1 diagonal assignment: * HE21 GLN 16 - HE21 GLN 16 (0.78) kept Peak 1137 (7.63, 7.06, 110.14 ppm): 3 chemical-shift based assignments, quality = 0.763, support = 0.999, residual support = 7.39: O T HE22 GLN 16 - HE21 GLN 16 33.333% * 99.8833% (0.76 10.0 10.00 1.00 7.40) = 99.883% kept HD21 ASN 57 - HE21 GLN 16 33.333% * 0.0807% (0.62 1.0 1.00 0.02 0.02) = 0.081% HN ASP- 25 - HE21 GLN 16 33.333% * 0.0360% (0.28 1.0 1.00 0.02 0.26) = 0.036% Peak 1138 (7.63, 7.63, 110.14 ppm): 1 diagonal assignment: * HE22 GLN 16 - HE22 GLN 16 (0.76) kept Peak 1139 (7.06, 7.63, 110.14 ppm): 3 chemical-shift based assignments, quality = 0.776, support = 0.997, residual support = 7.38: O HE21 GLN 16 - HE22 GLN 16 33.333% * 99.6769% (0.78 10.0 1.00 7.40) = 99.677% kept QD TYR 83 - HE22 GLN 16 33.333% * 0.2061% (0.81 1.0 0.02 0.58) = 0.206% QE PHE 21 - HE22 GLN 16 33.333% * 0.1170% (0.46 1.0 0.02 0.02) = 0.117% Peak 1140 (2.83, 7.63, 110.14 ppm): 4 chemical-shift based assignments, quality = 0.709, support = 0.734, residual support = 0.62: HA1 GLY 58 - HE22 GLN 16 25.000% * 39.7986% (0.66 0.91 0.59) = 39.799% kept HB3 HIS+ 3 - HE22 GLN 16 25.000% * 33.7101% (0.80 0.64 0.48) = 33.710% kept HB3 ASN 119 - HE22 GLN 16 25.000% * 26.2258% (0.67 0.59 0.85) = 26.226% kept HE3 LYS+ 111 - HE22 GLN 16 25.000% * 0.2655% (0.20 0.02 0.02) = 0.266% Peak 1141 (2.83, 7.06, 110.14 ppm): 4 chemical-shift based assignments, quality = 0.676, support = 0.737, residual support = 0.617: HA1 GLY 58 - HE21 GLN 16 25.000% * 40.1749% (0.63 0.92 0.59) = 40.175% kept HB3 HIS+ 3 - HE21 GLN 16 25.000% * 34.2055% (0.76 0.65 0.48) = 34.205% kept HB3 ASN 119 - HE21 GLN 16 25.000% * 25.3541% (0.64 0.57 0.85) = 25.354% kept HE3 LYS+ 111 - HE21 GLN 16 25.000% * 0.2655% (0.19 0.02 0.02) = 0.265% 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 = 0.548, residual support = 0.39: HE3 LYS+ 60 - HN PHE 21 33.333% * 62.6493% (0.87 0.73 0.49) = 62.649% kept HG3 MET 97 - HN PHE 21 33.333% * 18.9479% (0.92 0.21 0.42) = 18.948% kept HA1 GLY 58 - HN PHE 21 33.333% * 18.4028% (0.63 0.29 0.02) = 18.403% kept Peak 1144 (1.91, 8.94, 123.00 ppm): 14 chemical-shift based assignments, quality = 0.556, support = 2.89, residual support = 13.8: HB ILE 29 - HN PHE 21 7.143% * 83.3757% (0.61 3.43 16.57) = 83.376% kept HB3 GLN 16 - HN PHE 21 7.143% * 4.4797% (0.28 0.40 0.02) = 4.480% kept HB2 PRO 116 - HN PHE 21 7.143% * 3.6962% (0.34 0.27 0.02) = 3.696% kept HB2 LEU 23 - HN PHE 21 7.143% * 2.9712% (0.87 0.09 0.02) = 2.971% kept HD3 LYS+ 63 - HN PHE 21 7.143% * 0.7990% (1.00 0.02 0.02) = 0.799% HB3 GLN 102 - HN PHE 21 7.143% * 0.7728% (0.96 0.02 0.02) = 0.773% HB3 GLU- 54 - HN PHE 21 7.143% * 0.7575% (0.94 0.02 0.02) = 0.757% HB3 GLU- 56 - HN PHE 21 7.143% * 0.7181% (0.90 0.02 0.02) = 0.718% HB3 MET 118 - HN PHE 21 7.143% * 0.6688% (0.83 0.02 0.02) = 0.669% HB3 PRO 35 - HN PHE 21 7.143% * 0.6120% (0.76 0.02 0.02) = 0.612% HB3 CYS 123 - HN PHE 21 7.143% * 0.4857% (0.61 0.02 0.02) = 0.486% HG2 GLU- 18 - HN PHE 21 7.143% * 0.3005% (0.37 0.02 0.02) = 0.301% HG2 PRO 112 - HN PHE 21 7.143% * 0.2226% (0.28 0.02 0.02) = 0.223% HB2 GLU- 10 - HN PHE 21 7.143% * 0.1402% (0.17 0.02 0.02) = 0.140% Peak 1145 (0.87, 6.90, 112.68 ppm): 13 chemical-shift based assignments, quality = 0.751, support = 0.185, residual support = 0.0197: QG2 VAL 122 - HD22 ASN 15 7.692% * 29.7801% (0.94 0.27 0.02) = 29.780% kept QD1 LEU 90 - HD22 ASN 15 7.692% * 16.2500% (0.95 0.15 0.02) = 16.250% kept HG LEU 74 - HD22 ASN 15 7.692% * 15.2343% (0.46 0.28 0.02) = 15.234% kept HB ILE 101 - HD22 ASN 15 7.692% * 10.1577% (0.64 0.14 0.02) = 10.158% kept QG2 ILE 100 - HD22 ASN 15 7.692% * 10.0105% (0.97 0.09 0.02) = 10.011% kept HG3 LYS+ 117 - HD22 ASN 15 7.692% * 6.6164% (0.48 0.12 0.02) = 6.616% kept HG2 LYS+ 117 - HD22 ASN 15 7.692% * 4.6367% (0.34 0.12 0.02) = 4.637% kept QG1 VAL 40 - HD22 ASN 15 7.692% * 1.6777% (0.72 0.02 0.02) = 1.678% kept QG2 VAL 125 - HD22 ASN 15 7.692% * 1.5870% (0.68 0.02 0.02) = 1.587% kept QG2 VAL 47 - HD22 ASN 15 7.692% * 1.4946% (0.64 0.02 0.02) = 1.495% kept QG1 VAL 122 - HD22 ASN 15 7.692% * 1.1246% (0.48 0.02 0.02) = 1.125% kept QG1 VAL 80 - HD22 ASN 15 7.692% * 0.7881% (0.34 0.02 0.02) = 0.788% QG2 VAL 13 - HD22 ASN 15 7.692% * 0.6424% (0.27 0.02 0.37) = 0.642% Not enough support, support cutoff is 0.22 Peak unassigned. 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 1147 (8.96, 8.96, 124.78 ppm): 2 diagonal assignments: HN THR 96 - HN THR 96 (0.38) kept HN LEU 17 - HN LEU 17 (0.38) kept Peak 1148 (8.76, 8.96, 124.78 ppm): 12 chemical-shift based assignments, quality = 0.423, support = 2.07, residual support = 2.19: T HN PHE 34 - HN LEU 17 8.333% * 85.0281% (0.43 10.00 1.94 1.67) = 85.028% kept HN THR 95 - HN THR 96 8.333% * 9.8087% (0.24 1.00 4.07 7.85) = 9.809% kept HN PHE 34 - HN THR 96 8.333% * 3.4898% (0.63 1.00 0.55 0.02) = 3.490% kept HN VAL 62 - HN THR 96 8.333% * 1.3778% (0.62 1.00 0.22 0.02) = 1.378% kept HN VAL 62 - HN LEU 17 8.333% * 0.0869% (0.43 1.00 0.02 0.02) = 0.087% HN ILE 101 - HN THR 96 8.333% * 0.0396% (0.20 1.00 0.02 0.02) = 0.040% HN GLU- 56 - HN THR 96 8.333% * 0.0357% (0.18 1.00 0.02 0.02) = 0.036% HN THR 95 - HN LEU 17 8.333% * 0.0333% (0.16 1.00 0.02 0.02) = 0.033% HN SER 69 - HN THR 96 8.333% * 0.0286% (0.14 1.00 0.02 0.02) = 0.029% HN ILE 101 - HN LEU 17 8.333% * 0.0274% (0.14 1.00 0.02 0.02) = 0.027% HN GLU- 56 - HN LEU 17 8.333% * 0.0246% (0.12 1.00 0.02 0.02) = 0.025% HN SER 69 - HN LEU 17 8.333% * 0.0197% (0.10 1.00 0.02 0.02) = 0.020% Peak 1149 (4.76, 8.96, 124.78 ppm): 18 chemical-shift based assignments, quality = 0.196, support = 1.24, residual support = 0.908: HA ASN 89 - HN THR 96 5.556% * 31.6801% (0.17 1.91 0.36) = 31.680% kept HA ASN 15 - HN LEU 17 5.556% * 31.1674% (0.21 1.54 1.49) = 31.167% kept HA ASN 89 - HN LEU 17 5.556% * 11.1902% (0.12 0.98 2.91) = 11.190% kept HA PRO 116 - HN THR 96 5.556% * 7.3163% (0.28 0.27 0.02) = 7.316% kept HA LYS+ 113 - HN THR 96 5.556% * 5.5761% (0.16 0.37 0.02) = 5.576% kept HA HIS+ 5 - HN THR 96 5.556% * 4.0537% (0.46 0.09 0.02) = 4.054% kept HA ASP- 115 - HN THR 96 5.556% * 3.1300% (0.38 0.09 0.02) = 3.130% kept HA VAL 40 - HN THR 96 5.556% * 0.9636% (0.51 0.02 0.02) = 0.964% HA MET 118 - HN THR 96 5.556% * 0.8738% (0.46 0.02 0.02) = 0.874% HA VAL 40 - HN LEU 17 5.556% * 0.6653% (0.35 0.02 0.02) = 0.665% HA MET 118 - HN LEU 17 5.556% * 0.6034% (0.32 0.02 0.02) = 0.603% HA HIS+ 5 - HN LEU 17 5.556% * 0.6034% (0.32 0.02 0.02) = 0.603% HA ASN 15 - HN THR 96 5.556% * 0.5858% (0.31 0.02 0.02) = 0.586% HA ASP- 115 - HN LEU 17 5.556% * 0.5040% (0.27 0.02 0.02) = 0.504% HA PRO 116 - HN LEU 17 5.556% * 0.3725% (0.20 0.02 0.02) = 0.373% HA HIS+ 7 - HN THR 96 5.556% * 0.3001% (0.16 0.02 0.02) = 0.300% HA HIS+ 7 - HN LEU 17 5.556% * 0.2072% (0.11 0.02 0.02) = 0.207% HA LYS+ 113 - HN LEU 17 5.556% * 0.2072% (0.11 0.02 0.02) = 0.207% Not enough quality. Peak unassigned. Peaks: selected : 1112 with diagonal assignment : 136 without assignment possibility : 155 with one assignment possibility : 26 with multiple assignment possibilities : 795 with given assignment possibilities : 0 with unique volume contribution : 131 with multiple volume contributions : 690 eliminated by violation filter : 0 Peaks: selected : 1112 without assignment : 207 with assignment : 905 with unique assignment : 240 with multiple assignment : 665 with reference assignment : 601 with identical reference assignment : 188 with compatible reference assignment : 379 with incompatible reference assignment : 25 with additional reference assignment : 9 with additional assignment : 313 Atoms with eliminated volume contribution > 2.5: HN HIS+ 6 3.0 HN HIS+ 7 3.0 HD22 ASN 15 3.0 HN ASN 76 3.0 HA ASN 89 4.3 HN LYS+ 113 3.9